#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qnc s LEU 2 N 0.00 4.23 -1.49 3.17 2.96 -1.26 -4.91 118.68 121.38 2qnc s LEU 2 Ca 0.00 1.59 -0.12 0.00 -0.22 0.00 0.00 54.13 55.38 2qnc s LEU 2 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 2qnc s LEU 2 CO 0.00 -0.53 2.53 0.18 -1.32 0.00 0.00 176.35 177.21 2qnc n LEU 3 N 5.32 7.52 -4.86 -0.68 4.77 -1.26 -4.93 117.00 122.88 2qnc n LEU 3 Ca 0.10 -4.16 -0.35 0.00 -0.03 0.00 0.00 56.01 51.58 2qnc n LEU 3 Cb 0.47 -1.58 -0.05 0.00 -2.33 0.00 0.00 43.42 39.93 2qnc n LEU 3 CO 0.53 1.45 0.13 0.28 -1.33 0.00 0.00 177.39 178.45 2qnc s THR 4 N 2.84 5.02 0.00 -5.08 -1.32 -1.26 -4.24 115.64 111.59 2qnc s THR 4 Ca 0.57 0.55 0.00 0.00 -1.21 0.00 0.00 61.69 61.60 2qnc s THR 4 Cb 0.16 -3.67 0.00 0.00 -1.51 0.00 0.00 72.50 67.48 2qnc s THR 4 CO -0.07 0.24 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 2qnc n GLY 5 N 0.78 -0.23 0.00 6.08 0.00 -1.26 -3.08 105.19 107.48 2qnc n GLY 5 Ca -0.06 -1.03 0.05 0.00 0.00 0.00 0.00 46.02 44.98 2qnc n GLY 5 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qnc n LYS 6 N 0.00 0.36 0.26 1.61 2.85 -1.26 -1.70 118.16 120.29 2qnc n LYS 6 Ca 0.00 0.00 0.17 0.00 -1.05 0.00 0.00 58.31 57.43 2qnc n LYS 6 Cb 0.00 -1.46 0.70 0.00 -0.65 0.00 0.00 35.03 33.61 2qnc n LYS 6 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2qnc h LEU 7 N 0.00 0.00 0.21 -5.58 5.85 -1.86 -3.25 115.31 110.68 2qnc h LEU 7 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2qnc h LEU 7 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2qnc h LEU 7 CO 0.00 0.00 -0.10 0.22 -0.34 0.00 0.00 178.44 178.22 2qnc h TYR 8 N 0.00 -0.26 -1.03 1.25 3.20 -1.50 -2.97 116.97 115.66 2qnc h TYR 8 Ca 0.00 -0.01 0.32 0.00 3.14 0.00 0.00 58.73 62.19 2qnc h TYR 8 Cb 0.45 0.09 -0.14 0.00 1.54 0.00 0.00 36.73 38.67 2qnc h TYR 8 CO 0.00 -0.16 0.60 0.87 -1.64 0.00 0.00 178.16 177.83 2qnc h LYS 9 N -0.43 0.32 -0.35 1.82 1.57 -1.77 0.52 116.57 118.26 2qnc h LYS 9 Ca -0.03 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2qnc h LYS 9 Cb 0.22 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2qnc h LYS 9 CO 0.05 0.21 0.21 0.93 -0.57 0.00 0.00 179.45 180.27 2qnc h GLU 10 N 0.33 0.41 -0.88 3.15 5.08 -1.61 -2.35 114.58 118.70 2qnc h GLU 10 Ca 0.73 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 59.10 2qnc h GLU 10 Cb 1.70 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.81 2qnc h GLU 10 CO -0.57 0.27 0.58 1.49 -1.00 0.00 0.00 179.01 179.78 2qnc h GLU 11 N 0.42 1.07 -0.60 2.33 4.57 0.20 0.00 114.58 122.57 2qnc h GLU 11 Ca 0.14 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2qnc h GLU 11 Cb -0.00 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.32 2qnc h GLU 11 CO -0.06 0.71 0.37 0.87 -1.18 0.00 0.00 179.01 179.71 2qnc h LYS 12 N 1.10 0.82 0.62 1.92 1.57 -0.92 -2.42 116.57 119.26 2qnc h LYS 12 Ca 0.35 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2qnc h LYS 12 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2qnc h LYS 12 CO -0.10 0.59 -0.49 0.37 -0.57 0.00 0.00 179.45 179.24 2qnc h GLN 13 N 0.82 -1.04 -0.79 3.15 5.75 -0.57 0.72 115.11 123.15 2qnc h GLN 13 Ca 0.22 0.07 0.16 0.00 -0.15 0.00 0.00 58.65 58.94 2qnc h GLN 13 Cb -0.02 0.24 -0.15 0.00 1.07 0.00 0.00 27.48 28.62 2qnc h GLN 13 CO -0.04 -0.69 -0.22 0.87 -2.65 0.00 0.00 178.83 176.10 2qnc h LYS 14 N -1.08 -0.01 -0.08 1.69 1.57 -1.04 0.18 116.57 117.80 2qnc h LYS 14 Ca -0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2qnc h LYS 14 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2qnc h LYS 14 CO 0.01 -0.01 0.05 0.74 -0.57 0.00 0.00 179.45 179.67 2qnc h PHE 15 N -0.01 0.10 -0.74 -1.35 0.04 -1.14 0.26 116.94 114.10 2qnc h PHE 15 Ca 0.37 0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.28 2qnc h PHE 15 Cb 0.58 -0.03 -0.14 0.00 2.20 0.00 0.00 35.95 38.56 2qnc h PHE 15 CO -0.64 0.10 -0.23 -0.92 -0.60 0.00 0.00 178.31 176.01 2qnc h TYR 16 N 0.07 -0.55 -0.24 -0.55 3.20 0.17 0.36 116.97 119.43 2qnc h TYR 16 Ca 0.03 0.07 -0.16 0.00 3.14 0.00 0.00 58.73 61.81 2qnc h TYR 16 Cb 0.03 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2qnc h TYR 16 CO -0.06 -0.34 -0.48 -0.44 -1.64 0.00 0.00 178.16 175.19 2qnc h ASP 17 N -0.04 0.71 0.94 -2.11 3.32 -0.79 0.12 116.42 118.58 2qnc h ASP 17 Ca 0.34 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2qnc h ASP 17 Cb 0.56 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2qnc h ASP 17 CO -0.77 1.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.82 2qnc n ALA 18 N -2.52 1.98 0.44 3.45 0.00 0.87 -2.36 120.51 122.36 2qnc n ALA 18 Ca -0.03 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.48 2qnc n ALA 18 Cb 0.57 -1.40 0.10 0.00 0.00 0.00 0.00 19.45 18.73 2qnc n ALA 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qnc n GLN 19 N -1.93 1.57 -3.83 0.00 6.02 0.11 -4.99 117.38 114.34 2qnc n GLN 19 Ca 0.04 -1.64 -0.24 0.00 -0.01 0.00 0.00 57.00 55.15 2qnc n GLN 19 Cb 0.30 -1.32 0.01 0.00 1.02 0.00 0.00 30.24 30.25 2qnc n GLN 19 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2qnc n ASN 20 N 0.89 -1.43 -0.41 1.08 5.03 -0.45 -2.71 115.26 117.27 2qnc n ASN 20 Ca 0.11 -0.88 -0.05 0.00 0.87 0.00 0.00 54.58 54.63 2qnc n ASN 20 Cb 0.42 -3.68 -0.02 0.00 -1.02 0.00 0.00 39.78 35.48 2qnc n ASN 20 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qnc n GLY 21 N -1.71 0.65 3.39 7.41 0.00 0.28 -4.99 105.19 110.22 2qnc n GLY 21 Ca -0.25 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 2qnc n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qnc s LYS 22 N -2.06 1.42 0.42 1.61 -2.85 -1.10 0.43 119.74 117.61 2qnc s LYS 22 Ca 0.00 -1.41 -0.24 0.00 -1.00 0.00 0.00 55.97 53.31 2qnc s LYS 22 Cb 0.00 -1.79 -0.08 0.00 -2.06 0.00 0.00 37.83 33.90 2qnc s LYS 22 CO 0.00 0.41 1.15 0.00 0.10 0.00 0.00 175.35 177.01 2qnc n LEU 24 N -0.16 0.04 -0.05 0.00 4.77 -1.25 -2.27 117.00 118.07 2qnc n LEU 24 Ca 0.06 0.38 -0.05 0.00 -0.03 0.00 0.00 56.01 56.37 2qnc n LEU 24 Cb 0.48 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2qnc n LEU 24 CO 0.49 0.01 -0.39 -0.38 -1.33 0.00 0.00 177.39 175.78 2qnc n ILE 25 N -1.40 0.94 0.24 -0.08 5.41 -1.26 -4.61 119.36 118.59 2qnc n ILE 25 Ca 0.10 0.27 0.14 0.00 1.00 0.00 0.00 62.75 64.26 2qnc n ILE 25 Cb 0.30 -1.98 0.44 0.00 -0.71 0.00 0.00 39.64 37.69 2qnc n ILE 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qnc n GLN 27 N -3.14 -0.39 -2.10 0.00 6.02 -0.96 -5.01 117.38 111.79 2qnc n GLN 27 Ca 0.02 0.10 -0.29 0.00 -0.01 0.00 0.00 57.00 56.82 2qnc n GLN 27 Cb 0.42 -3.42 0.04 0.00 1.02 0.00 0.00 30.24 28.30 2qnc n GLN 27 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2qnc s ARG 28 N -0.49 2.84 0.18 -1.09 1.70 -1.26 -4.67 118.95 116.15 2qnc s ARG 28 Ca 0.00 0.25 -0.30 0.00 -0.47 0.00 0.00 55.73 55.20 2qnc s ARG 28 Cb 0.00 -2.12 -0.08 0.00 -0.57 0.00 0.00 34.95 32.17 2qnc s ARG 28 CO 0.00 -0.92 1.28 -1.21 -1.08 0.00 0.00 175.30 173.36 2qnc s GLU 29 N -5.21 4.42 0.81 3.89 0.41 -1.26 -0.70 118.70 121.05 2qnc s GLU 29 Ca 0.57 1.98 -0.11 0.00 -0.41 0.00 0.00 54.97 57.00 2qnc s GLU 29 Cb -0.11 -3.22 0.08 0.00 -1.78 0.00 0.00 34.13 29.10 2qnc s GLU 29 CO 0.49 -0.22 1.09 -0.51 -0.49 0.00 0.00 175.26 175.62 2qnc s LEU 30 N 0.06 2.80 -0.01 1.80 1.43 0.17 -4.76 118.68 120.17 2qnc s LEU 30 Ca 0.56 1.74 -0.36 0.00 -1.03 0.00 0.00 54.13 55.05 2qnc s LEU 30 Cb -0.35 -4.34 -0.14 0.00 0.03 0.00 0.00 46.19 41.39 2qnc s LEU 30 CO 0.36 -2.25 1.66 -3.20 0.23 0.00 0.00 176.35 173.15 2qnc n ASN 31 N -3.66 2.80 -0.07 2.29 2.85 -1.26 -4.77 115.26 113.45 2qnc n ASN 31 Ca 0.09 1.05 0.22 0.00 -0.11 0.00 0.00 54.58 55.83 2qnc n ASN 31 Cb 0.54 -1.31 0.68 0.00 1.24 0.00 0.00 39.78 40.92 2qnc n ASN 31 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2qnc h PRO 32 N 6.94 0.04 -5.28 1.20 0.13 -1.91 -3.19 132.00 129.93 2qnc h PRO 32 Ca -0.47 -0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.23 2qnc h PRO 32 Cb 1.29 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2qnc h PRO 32 CO 0.90 0.03 1.42 -3.47 -0.23 0.00 0.00 178.00 176.65 2qnc n ASP 33 N -4.36 3.10 -0.35 1.44 -0.08 -1.26 -4.83 116.55 110.20 2qnc n ASP 33 Ca 0.13 -2.71 -0.00 0.00 -1.51 0.00 0.00 54.79 50.69 2qnc n ASP 33 Cb 0.70 -1.61 0.05 0.00 2.34 0.00 0.00 41.12 42.60 2qnc n ASP 33 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2qnc h VAL 34 N 5.75 0.03 0.00 5.18 2.07 -1.94 0.14 116.25 127.47 2qnc h VAL 34 Ca 0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.80 2qnc h VAL 34 Cb 0.87 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2qnc h VAL 34 CO 1.40 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.99 2qnc n GLN 35 N -5.50 0.04 -0.03 1.57 1.13 -1.26 -1.16 117.38 112.18 2qnc n GLN 35 Ca 0.10 0.12 0.01 0.00 -1.94 0.00 0.00 57.00 55.29 2qnc n GLN 35 Cb 0.41 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 29.13 2qnc n GLN 35 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qnc n ALA 36 N -1.13 2.09 -0.63 -1.58 0.00 0.48 -4.97 120.51 114.78 2qnc n ALA 36 Ca 0.01 -0.80 -0.31 0.00 0.00 0.00 0.00 53.44 52.34 2qnc n ALA 36 Cb 0.01 -0.63 0.19 0.00 0.00 0.00 0.00 19.45 19.02 2qnc n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qnc n ASN 37 N -2.63 -0.08 -4.69 0.00 3.02 -0.31 -4.82 115.26 105.76 2qnc n ASN 37 Ca -0.16 0.31 -0.37 0.00 -0.03 0.00 0.00 54.58 54.33 2qnc n ASN 37 Cb 0.85 -1.44 -0.08 0.00 -0.61 0.00 0.00 39.78 38.51 2qnc n ASN 37 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2qnc s HIS 38 N -2.59 3.38 -0.51 3.10 3.76 0.88 -4.94 115.29 118.37 2qnc s HIS 38 Ca 0.67 0.47 -0.20 0.00 -0.15 0.00 0.00 55.06 55.85 2qnc s HIS 38 Cb -0.23 -2.37 0.05 0.00 1.11 0.00 0.00 32.58 31.13 2qnc s HIS 38 CO 0.59 0.10 0.70 -1.17 -0.85 0.00 0.00 174.74 174.12 2qnc s LEU 39 N 0.94 4.73 0.19 0.89 2.96 -1.26 0.13 118.68 127.25 2qnc s LEU 39 Ca 0.14 -0.74 -0.14 0.00 -0.22 0.00 0.00 54.13 53.17 2qnc s LEU 39 Cb -0.14 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.93 2qnc s LEU 39 CO 0.05 -0.97 0.59 -0.62 -1.32 0.00 0.00 176.35 174.08 2qnc s ASP 40 N 2.69 6.81 0.10 3.68 2.15 0.07 -4.98 116.67 127.18 2qnc s ASP 40 Ca 0.19 1.11 -0.02 0.00 0.43 0.00 0.00 52.55 54.26 2qnc s ASP 40 Cb -0.17 -2.30 -0.03 0.00 -0.30 0.00 0.00 42.92 40.11 2qnc s ASP 40 CO 0.14 0.02 0.05 -1.38 -0.17 0.00 0.00 175.17 173.84 2qnc s HIS 41 N -1.60 0.63 -0.13 -5.34 -3.43 -1.26 -0.26 115.29 103.90 2qnc s HIS 41 Ca 0.42 -1.07 -0.28 0.00 -0.80 0.00 0.00 55.06 53.33 2qnc s HIS 41 Cb -0.14 -0.37 -0.01 0.00 -1.43 0.00 0.00 32.58 30.63 2qnc s HIS 41 CO 0.20 -0.49 0.95 0.34 -2.00 0.00 0.00 174.74 173.74 2qnc s ASP 42 N -2.98 7.14 0.08 7.38 -1.08 -0.71 -4.84 116.67 121.67 2qnc s ASP 42 Ca 0.15 1.40 0.28 0.00 -0.52 0.00 0.00 52.55 53.86 2qnc s ASP 42 Cb 0.07 -2.52 1.04 0.00 -1.46 0.00 0.00 42.92 40.05 2qnc s ASP 42 CO -0.04 -0.43 1.85 1.41 0.52 0.00 0.00 175.17 178.48 2qnc n HIS 43 N 5.11 0.37 -1.44 -5.34 8.25 -1.26 -2.58 115.22 118.32 2qnc n HIS 43 Ca 0.07 0.11 -0.39 0.00 -0.26 0.00 0.00 57.72 57.24 2qnc n HIS 43 Cb 0.49 -0.67 0.02 0.00 1.12 0.00 0.00 29.99 30.95 2qnc n HIS 43 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2qnc n GLU 44 N -1.80 0.49 -0.10 -0.41 4.07 -1.26 -4.77 120.64 116.85 2qnc n GLU 44 Ca 0.06 0.18 -0.12 0.00 -0.06 0.00 0.00 57.16 57.23 2qnc n GLU 44 Cb 0.38 -1.55 -0.12 0.00 -0.06 0.00 0.00 31.44 30.09 2qnc n GLU 44 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2qnc n LEU 45 N 1.03 1.72 -4.37 4.31 4.77 -1.26 -2.92 117.00 120.27 2qnc n LEU 45 Ca 0.11 -0.07 -0.31 0.00 -0.03 0.00 0.00 56.01 55.71 2qnc n LEU 45 Cb 0.44 -0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 41.13 2qnc n LEU 45 CO 0.53 0.68 -0.54 0.20 -1.33 0.00 0.00 177.39 176.93 2qnc s ASN 46 N -5.69 3.37 0.00 -1.43 0.01 -1.26 -4.78 114.94 105.17 2qnc s ASN 46 Ca -0.21 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.50 2qnc s ASN 46 Cb 0.07 -0.46 0.00 0.00 0.41 0.00 0.00 41.25 41.27 2qnc s ASN 46 CO 0.59 0.30 0.00 0.61 -1.51 0.00 0.00 177.10 177.09 2qnc n GLY 47 N 2.11 1.27 0.19 0.66 0.00 -1.26 -4.60 105.19 103.56 2qnc n GLY 47 Ca -0.16 -2.18 0.05 0.00 0.00 0.00 0.00 46.02 43.73 2qnc n GLY 47 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qnc h PRO 48 N 0.00 0.00 0.00 1.61 0.11 -2.01 -2.85 132.00 128.86 2qnc h PRO 48 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qnc h PRO 48 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2qnc h PRO 48 CO 0.00 0.37 -0.05 1.63 -0.21 0.00 0.00 178.00 179.74 2qnc n LYS 49 N -3.68 0.05 -1.59 1.05 5.02 -1.26 -4.83 118.16 112.91 2qnc n LYS 49 Ca -0.01 0.04 -0.53 0.00 -2.02 0.00 0.00 58.31 55.79 2qnc n LYS 49 Cb 0.47 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 2qnc n LYS 49 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qnc n ALA 50 N -1.55 0.57 -0.74 7.82 0.00 -1.08 -2.38 120.51 123.15 2qnc n ALA 50 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2qnc n ALA 50 Cb 0.36 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.39 2qnc n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qnc n GLY 51 N 5.27 0.16 3.75 0.00 0.00 -1.07 -4.96 105.19 108.35 2qnc n GLY 51 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 2qnc n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qnc s LYS 52 N -1.09 4.47 0.39 1.61 -0.14 -1.00 -4.63 119.74 119.34 2qnc s LYS 52 Ca 0.00 2.00 -0.26 0.00 -1.36 0.00 0.00 55.97 56.35 2qnc s LYS 52 Cb 0.00 -3.16 -0.09 0.00 -1.68 0.00 0.00 37.83 32.90 2qnc s LYS 52 CO 0.00 -0.07 1.25 0.14 -0.76 0.00 0.00 175.35 175.90 2qnc s VAL 53 N -0.65 2.86 -0.10 3.17 -7.23 -1.26 -1.74 120.40 115.45 2qnc s VAL 53 Ca 0.50 0.77 0.19 0.00 -1.81 0.00 0.00 61.98 61.63 2qnc s VAL 53 Cb -0.35 -3.45 -0.28 0.00 0.56 0.00 0.00 36.38 32.85 2qnc s VAL 53 CO 0.43 0.11 0.44 0.54 -0.31 0.00 0.00 175.10 176.31 2qnc n ARG 54 N 0.25 0.61 -2.48 4.82 1.74 0.64 -4.88 116.66 117.36 2qnc n ARG 54 Ca 0.03 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 2qnc n ARG 54 Cb 0.44 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2qnc n ARG 54 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qnc n GLY 55 N 1.45 -0.43 3.33 -0.13 0.00 -1.16 -5.01 105.19 103.23 2qnc n GLY 55 Ca -0.03 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.16 2qnc n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qnc s LEU 56 N 0.00 2.98 0.12 0.99 2.96 -1.26 -0.75 118.68 123.72 2qnc s LEU 56 Ca 0.00 -0.36 0.08 0.00 -0.22 0.00 0.00 54.13 53.64 2qnc s LEU 56 Cb 0.00 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2qnc s LEU 56 CO 0.00 -0.02 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.05 2qnc s LEU 57 N 1.48 2.34 0.33 -0.68 1.43 0.35 -3.87 118.68 120.06 2qnc s LEU 57 Ca 0.06 -0.74 -0.29 0.00 -1.03 0.00 0.00 54.13 52.12 2qnc s LEU 57 Cb -0.14 -0.88 -0.11 0.00 0.03 0.00 0.00 46.19 45.09 2qnc s LEU 57 CO -0.02 0.03 1.48 0.00 0.23 0.00 0.00 176.35 178.07 2qnc h ASN 59 N 3.78 0.00 0.05 0.00 -1.07 -1.91 -1.16 115.58 115.27 2qnc h ASN 59 Ca -0.49 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 55.88 2qnc h ASN 59 Cb 1.23 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.48 2qnc h ASN 59 CO 0.70 0.00 -0.02 -0.07 0.07 0.00 0.00 177.43 178.10 2qnc h LEU 60 N 0.00 -0.06 -1.22 6.14 3.38 -2.00 -3.09 115.31 118.46 2qnc h LEU 60 Ca 0.30 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 58.08 2qnc h LEU 60 Cb 2.19 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.89 2qnc h LEU 60 CO -0.00 0.57 0.57 0.00 0.09 0.00 0.00 178.44 179.66 2qnc h ASP 62 N 0.87 -0.69 -0.06 0.00 3.58 -1.49 -2.07 116.42 116.56 2qnc h ASP 62 Ca 0.40 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.81 2qnc h ASP 62 Cb 0.40 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2qnc h ASP 62 CO -0.17 -0.41 -0.01 0.00 -2.88 0.00 0.00 179.24 175.77 2qnc h ALA 63 N -0.63 1.71 -0.37 -0.78 0.00 -1.44 -1.41 119.26 116.34 2qnc h ALA 63 Ca -0.08 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2qnc h ALA 63 Cb 0.67 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2qnc h ALA 63 CO 0.14 0.22 0.15 0.00 0.00 0.00 0.00 179.25 179.76 2qnc h ALA 64 N 1.78 0.44 -0.40 0.00 0.00 -1.14 -2.23 119.26 117.72 2qnc h ALA 64 Ca 0.05 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2qnc h ALA 64 Cb 0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 2qnc h ALA 64 CO 0.00 -0.23 -0.12 1.49 0.00 0.00 0.00 179.25 180.39 2qnc h GLU 65 N 0.32 -0.02 0.19 0.00 4.22 -0.53 -1.61 114.58 117.15 2qnc h GLU 65 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.61 2qnc h GLU 65 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2qnc h GLU 65 CO -0.15 -0.01 -0.41 0.78 -2.18 0.00 0.00 179.01 177.04 2qnc h GLY 66 N -0.02 -1.17 -0.23 1.92 0.00 -1.24 0.11 103.07 102.43 2qnc h GLY 66 Ca 0.20 0.59 0.22 0.00 0.00 0.00 0.00 47.33 48.34 2qnc h GLY 66 CO -0.43 -0.32 0.38 1.46 0.00 0.00 0.00 176.54 177.63 2qnc h GLN 67 N -0.66 0.37 0.18 4.80 1.08 -1.13 1.12 115.11 120.87 2qnc h GLN 67 Ca -0.02 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2qnc h GLN 67 Cb 0.62 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 2qnc h GLN 67 CO -0.17 0.24 -0.39 0.52 -0.95 0.00 0.00 178.83 178.08 2qnc h MET 68 N 0.38 -0.61 0.42 1.46 2.86 -0.26 0.18 114.93 119.36 2qnc h MET 68 Ca 0.56 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 58.24 2qnc h MET 68 Cb 1.09 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.86 2qnc h MET 68 CO -0.54 -0.41 -0.47 -0.22 1.06 0.00 0.00 176.91 176.33 2qnc h LYS 69 N -0.63 -0.89 -0.87 1.72 1.63 0.17 -2.21 116.57 115.49 2qnc h LYS 69 Ca -0.02 0.06 0.22 0.00 -0.85 0.00 0.00 60.65 60.06 2qnc h LYS 69 Cb 0.60 0.20 -0.13 0.00 -0.60 0.00 0.00 32.23 32.30 2qnc h LYS 69 CO -0.16 -0.59 0.29 1.25 -3.45 0.00 0.00 179.45 176.78 2qnc h HIS 70 N -0.92 0.45 0.00 1.91 2.76 0.13 0.33 115.15 119.80 2qnc h HIS 70 Ca -0.04 0.05 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 2qnc h HIS 70 Cb 0.82 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 2qnc h HIS 70 CO -0.27 -0.14 -0.41 0.87 -1.30 0.00 0.00 177.93 176.67 2qnc h LYS 71 N 0.28 0.00 -0.32 5.26 1.79 -0.31 -2.78 116.57 120.48 2qnc h LYS 71 Ca 0.54 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.94 2qnc h LYS 71 Cb 1.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 2qnc h LYS 71 CO -0.60 0.41 -0.08 0.35 -1.08 0.00 0.00 179.45 178.46 2qnc h PHE 72 N 0.00 0.70 0.21 -1.35 3.57 0.21 -2.32 116.94 117.96 2qnc h PHE 72 Ca -0.00 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.36 2qnc h PHE 72 Cb 0.83 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 2qnc h PHE 72 CO 0.00 0.80 -0.44 -0.91 -2.23 0.00 0.00 178.31 175.53 2qnc h ASN 73 N 0.40 -1.27 -0.16 0.41 2.35 -1.04 -1.04 115.58 115.23 2qnc h ASN 73 Ca 0.08 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 2qnc h ASN 73 Cb 0.57 0.46 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 2qnc h ASN 73 CO 0.03 -0.53 0.02 -2.11 -1.65 0.00 0.00 177.43 173.20 2qnc n ARG 74 N -5.48 1.91 0.06 0.81 1.85 -1.07 -3.55 116.66 111.18 2qnc n ARG 74 Ca -0.08 -0.80 0.00 0.00 -1.00 0.00 0.00 57.85 55.97 2qnc n ARG 74 Cb 0.40 -1.64 -0.06 0.00 -1.05 0.00 0.00 32.46 30.10 2qnc n ARG 74 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2qnc h SER 75 N 0.92 0.00 0.00 2.89 4.64 -0.59 -3.48 113.55 117.92 2qnc h SER 75 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2qnc h SER 75 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2qnc h SER 75 CO 0.15 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 2qnc n GLY 76 N 1.35 1.17 0.24 -0.77 0.00 -1.23 -4.94 105.19 101.00 2qnc n GLY 76 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 2qnc n GLY 76 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qnc h LEU 77 N 0.00 0.94 -0.89 0.99 3.38 -1.82 -3.05 115.31 114.85 2qnc h LEU 77 Ca 0.00 -0.55 0.19 0.00 0.09 0.00 0.00 57.88 57.61 2qnc h LEU 77 Cb 0.00 -0.27 -0.11 0.00 0.09 0.00 0.00 40.66 40.37 2qnc h LEU 77 CO 0.00 1.32 0.43 0.50 0.09 0.00 0.00 178.44 180.78 2qnc h LYS 78 N 0.60 0.49 -0.55 1.13 3.64 -1.78 0.81 116.57 120.91 2qnc h LYS 78 Ca 0.00 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2qnc h LYS 78 Cb 1.18 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 2qnc h LYS 78 CO 0.12 0.32 0.30 0.78 -2.27 0.00 0.00 179.45 178.71 2qnc h GLY 79 N 0.51 0.78 -1.60 5.01 0.00 -1.84 0.27 103.07 106.20 2qnc h GLY 79 Ca 0.53 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 2qnc h GLY 79 CO -0.46 0.15 0.01 -1.06 0.00 0.00 0.00 176.54 175.18 2qnc n GLN 80 N -4.83 1.04 -3.79 4.80 1.13 0.25 -4.84 117.38 111.14 2qnc n GLN 80 Ca 0.05 -0.05 -0.26 0.00 -1.94 0.00 0.00 57.00 54.79 2qnc n GLN 80 Cb 0.12 -1.24 0.02 0.00 0.11 0.00 0.00 30.24 29.25 2qnc n GLN 80 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qnc n GLY 81 N 0.27 -0.52 3.76 1.08 0.00 0.96 -4.99 105.19 105.74 2qnc n GLY 81 Ca 0.01 0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 2qnc n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qnc s VAL 82 N -3.71 4.68 -0.09 1.61 1.01 -1.01 -5.02 120.40 117.87 2qnc s VAL 82 Ca 0.17 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.70 2qnc s VAL 82 Cb -0.06 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2qnc s VAL 82 CO 0.86 0.51 0.70 -0.62 0.00 0.00 0.00 175.10 176.56 2qnc s ASP 83 N -1.22 6.95 0.09 3.32 2.15 -1.26 -4.49 116.67 122.21 2qnc s ASP 83 Ca 0.17 1.15 -0.26 0.00 0.43 0.00 0.00 52.55 54.04 2qnc s ASP 83 Cb -0.12 -2.41 -0.10 0.00 -0.30 0.00 0.00 42.92 40.00 2qnc s ASP 83 CO 0.07 -0.16 1.43 0.22 -0.17 0.00 0.00 175.17 176.56 2qnc h TYR 84 N 6.89 -1.28 -0.34 -5.34 3.20 -1.98 0.36 116.97 118.47 2qnc h TYR 84 Ca -0.39 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.59 2qnc h TYR 84 Cb 1.18 0.58 -0.08 0.00 1.54 0.00 0.00 36.73 39.95 2qnc h TYR 84 CO 0.66 -0.42 -0.44 -0.07 -1.64 0.00 0.00 178.16 176.26 2qnc h LEU 85 N -0.43 -1.43 -0.22 2.82 3.38 -1.99 0.86 115.31 118.30 2qnc h LEU 85 Ca 0.03 0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.26 2qnc h LEU 85 Cb 0.52 0.61 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2qnc h LEU 85 CO -0.36 -0.38 -0.12 -0.33 0.09 0.00 0.00 178.44 177.33 2qnc h GLU 86 N -0.37 -0.10 0.32 1.13 5.08 -1.83 -1.18 114.58 117.63 2qnc h GLU 86 Ca 0.12 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2qnc h GLU 86 Cb 0.60 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2qnc h GLU 86 CO -0.54 -0.06 -0.48 2.35 -1.00 0.00 0.00 179.01 179.28 2qnc h TRP 87 N -0.10 -1.36 -0.89 4.33 7.01 0.59 -1.90 115.95 123.63 2qnc h TRP 87 Ca 0.12 0.02 0.24 0.00 2.11 0.00 0.00 58.89 61.38 2qnc h TRP 87 Cb 0.28 0.55 -0.14 0.00 -2.10 0.00 0.00 29.16 27.76 2qnc h TRP 87 CO -0.29 -0.61 0.27 1.25 -2.79 0.00 0.00 178.44 176.27 2qnc h LEU 88 N -0.86 0.06 0.65 0.65 5.85 -0.58 0.22 115.31 121.31 2qnc h LEU 88 Ca -0.03 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2qnc h LEU 88 Cb 0.80 0.25 0.01 0.00 0.37 0.00 0.00 40.66 42.08 2qnc h LEU 88 CO -0.16 -0.14 -0.31 -0.08 -0.34 0.00 0.00 178.44 177.41 2qnc h GLU 89 N 0.23 -0.85 -0.01 1.25 4.81 -0.56 -1.97 114.58 117.48 2qnc h GLU 89 Ca 0.57 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.86 2qnc h GLU 89 Cb 1.15 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 2qnc h GLU 89 CO -0.64 -0.53 0.18 -0.91 -0.73 0.00 0.00 179.01 176.38 2qnc h ASN 90 N -1.03 0.00 0.46 1.04 2.35 -0.44 -1.09 115.58 116.86 2qnc h ASN 90 Ca -0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2qnc h ASN 90 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2qnc h ASN 90 CO 0.15 0.00 -0.22 0.25 -1.65 0.00 0.00 177.43 175.96 2qnc h LEU 91 N 0.00 -0.52 -1.40 1.61 5.85 0.02 -1.92 115.31 118.95 2qnc h LEU 91 Ca 0.00 0.02 0.27 0.00 0.84 0.00 0.00 57.88 59.01 2qnc h LEU 91 Cb 0.37 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 2qnc h LEU 91 CO -0.00 -0.21 0.68 0.25 -0.34 0.00 0.00 178.44 178.81 2qnc h LEU 92 N -0.93 0.42 0.54 2.25 5.85 -0.57 0.35 115.31 123.22 2qnc h LEU 92 Ca -0.06 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2qnc h LEU 92 Cb 0.47 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2qnc h LEU 92 CO 0.10 0.08 -0.31 0.74 -0.34 0.00 0.00 178.44 178.71 2qnc h THR 93 N 0.37 0.36 -0.23 1.05 2.02 -1.20 0.13 112.91 115.41 2qnc h THR 93 Ca 0.59 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.83 2qnc h THR 93 Cb 1.54 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 68.25 2qnc h THR 93 CO -0.28 0.00 -0.14 0.22 0.37 0.00 0.00 175.52 175.69 2qnc h TYR 94 N -0.80 -0.34 -0.78 3.16 3.20 0.42 -0.52 116.97 121.30 2qnc h TYR 94 Ca -0.07 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 2qnc h TYR 94 Cb 0.65 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 2qnc h TYR 94 CO -0.08 -0.21 0.32 -0.07 -1.64 0.00 0.00 178.16 176.48 2qnc h LEU 95 N -0.12 1.06 -0.63 2.82 3.38 -0.82 -2.57 115.31 118.42 2qnc h LEU 95 Ca 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qnc h LEU 95 Cb 0.32 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qnc h LEU 95 CO -0.31 0.93 -0.02 0.11 0.09 0.00 0.00 178.44 179.24 2qnc h LYS 96 N 1.13 0.00 -7.05 1.13 1.57 -0.59 -3.46 116.57 109.29 2qnc h LYS 96 Ca 0.26 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.49 2qnc h LYS 96 Cb 0.20 0.00 0.18 0.00 0.08 0.00 0.00 32.23 32.69 2qnc h LYS 96 CO -0.02 0.02 0.18 -1.13 -0.57 0.00 0.00 179.45 177.93 2qnc n SER 97 N -3.11 0.66 -4.50 0.86 3.41 -0.24 -4.89 113.62 105.82 2qnc n SER 97 Ca 0.02 0.63 -0.43 0.00 -0.26 0.00 0.00 58.87 58.83 2qnc n SER 97 Cb 0.44 -1.45 -0.01 0.00 -0.26 0.00 0.00 64.21 62.93 2qnc n SER 97 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qnc s ASP 98 N -1.83 6.84 -0.45 4.04 2.15 -1.26 -4.82 116.67 121.34 2qnc s ASP 98 Ca 0.73 -2.46 -0.02 0.00 0.43 0.00 0.00 52.55 51.24 2qnc s ASP 98 Cb -0.32 -2.46 0.24 0.00 -0.30 0.00 0.00 42.92 40.07 2qnc s ASP 98 CO 0.51 -1.01 2.20 0.00 -0.17 0.00 0.00 175.17 176.70 2qnc n TYR 99 N 6.88 1.99 0.08 -5.34 4.11 -1.26 -4.43 117.16 119.19 2qnc n TYR 99 Ca 0.36 -2.20 -0.18 0.00 -0.00 0.00 0.00 57.90 55.87 2qnc n TYR 99 Cb 0.46 -1.17 -0.14 0.00 -0.00 0.00 0.00 39.34 38.48 2qnc n TYR 99 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.86 178.01 2qnc h THR 100 N 1.29 1.21 -0.86 -3.48 2.02 -2.01 -3.36 112.91 107.73 2qnc h THR 100 Ca 0.40 -2.80 -0.56 0.00 0.77 0.00 0.00 66.41 64.21 2qnc h THR 100 Cb 0.79 2.83 -0.25 0.00 -1.74 0.00 0.00 68.15 69.78 2qnc h THR 100 CO 1.00 0.84 0.73 0.00 0.37 0.00 0.00 175.52 178.45 2qnc n GLN 101 N -3.51 2.39 -1.19 6.66 1.13 -1.26 -4.94 117.38 116.66 2qnc n GLN 101 Ca -0.16 -2.79 0.00 0.00 -1.94 0.00 0.00 57.00 52.11 2qnc n GLN 101 Cb 1.05 -2.09 0.00 0.00 0.11 0.00 0.00 30.24 29.31 2qnc n GLN 101 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2qnc n ASN 102 N -0.63 0.86 -4.97 1.08 4.13 -1.26 -5.13 115.26 109.34 2qnc n ASN 102 Ca 0.54 -0.83 -0.21 0.00 1.68 0.00 0.00 54.58 55.75 2qnc n ASN 102 Cb 0.77 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 39.04 2qnc n ASN 102 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2qnc s ASN 103 N -0.86 5.42 0.12 6.41 0.01 -1.26 -5.09 114.94 119.69 2qnc s ASN 103 Ca 0.00 0.06 -0.16 0.00 -0.71 0.00 0.00 52.86 52.05 2qnc s ASN 103 Cb 0.00 -1.03 -0.07 0.00 0.41 0.00 0.00 41.25 40.56 2qnc s ASN 103 CO 0.00 -1.03 0.55 -0.63 -1.51 0.00 0.00 177.10 174.48 2qnc s ILE 104 N -2.71 4.82 -0.01 0.60 -1.09 -1.26 -5.06 121.20 116.50 2qnc s ILE 104 Ca 0.55 0.96 -0.25 0.00 -2.23 0.00 0.00 60.65 59.69 2qnc s ILE 104 Cb -0.10 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2qnc s ILE 104 CO 0.38 0.36 0.76 -2.28 -1.23 0.00 0.00 174.94 172.92 2qnc s HIS 105 N -1.34 3.66 0.48 3.97 5.65 -1.26 -4.94 115.29 121.52 2qnc s HIS 105 Ca 0.34 1.40 0.32 0.00 0.25 0.00 0.00 55.06 57.37 2qnc s HIS 105 Cb -0.17 -2.84 1.43 0.00 -1.18 0.00 0.00 32.58 29.83 2qnc s HIS 105 CO 0.19 0.18 1.73 -1.00 -0.65 0.00 0.00 174.74 175.19 2qnc h PRO 106 N 6.21 0.12 -0.56 2.88 0.13 -2.04 -0.39 132.00 138.34 2qnc h PRO 106 Ca -0.43 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.79 2qnc h PRO 106 Cb 1.20 -0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 2qnc h PRO 106 CO 0.73 0.08 0.14 -0.91 -0.23 0.00 0.00 178.00 177.81 2qnc h ASN 107 N 0.12 0.06 -0.85 1.44 4.21 -2.02 -2.82 115.58 115.72 2qnc h ASN 107 Ca 0.67 0.09 0.35 0.00 1.21 0.00 0.00 56.30 58.63 2qnc h ASN 107 Cb 2.30 0.12 -0.15 0.00 -1.12 0.00 0.00 38.32 39.47 2qnc h ASN 107 CO -0.17 0.05 0.47 0.33 -1.29 0.00 0.00 177.43 176.82 2qnc n PHE 108 N -5.09 0.94 0.25 1.19 7.35 -0.16 -0.90 117.46 121.05 2qnc n PHE 108 Ca 0.08 0.95 -0.10 0.00 -0.76 0.00 0.00 57.45 57.62 2qnc n PHE 108 Cb 0.28 -1.37 -0.05 0.00 0.35 0.00 0.00 39.48 38.69 2qnc n PHE 108 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2qnc h VAL 109 N 0.00 0.00 -0.87 -2.13 2.07 -1.69 0.54 116.25 114.17 2qnc h VAL 109 Ca 0.71 -0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.34 2qnc h VAL 109 Cb 1.91 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 2qnc h VAL 109 CO -0.62 0.00 0.50 1.23 0.02 0.00 0.00 177.57 178.69 2qnc h GLY 110 N -0.65 1.38 1.63 2.17 0.00 -1.20 0.19 103.07 106.59 2qnc h GLY 110 Ca -0.07 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 2qnc h GLY 110 CO 0.11 0.09 -0.13 -0.55 0.00 0.00 0.00 176.54 176.06 2qnc h ASP 111 N 0.79 0.43 -0.02 0.19 5.19 -1.02 -0.67 116.42 121.32 2qnc h ASP 111 Ca 0.43 -0.11 -0.25 0.00 -0.62 0.00 0.00 57.03 56.49 2qnc h ASP 111 Cb 0.46 -0.12 0.02 0.00 0.18 0.00 0.00 39.33 39.87 2qnc h ASP 111 CO -0.28 0.60 -0.95 0.50 -3.12 0.00 0.00 179.24 175.99 2qnc h LYS 112 N 0.42 0.67 0.00 3.56 1.63 0.12 -2.79 116.57 120.17 2qnc h LYS 112 Ca 0.08 -0.70 0.00 0.00 -0.85 0.00 0.00 60.65 59.18 2qnc h LYS 112 Cb 0.48 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 2qnc h LYS 112 CO 0.03 1.29 0.00 0.77 -3.45 0.00 0.00 179.45 178.09 2qnc h SER 113 N 0.34 0.00 0.02 4.20 0.02 -0.31 -2.38 113.55 115.44 2qnc h SER 113 Ca -0.11 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 2qnc h SER 113 Cb 1.61 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.16 2qnc h SER 113 CO 0.19 0.00 -0.25 0.50 -1.14 0.00 0.00 176.83 176.13 2qnc h LYS 114 N 0.00 0.13 -0.05 3.45 1.63 -0.87 -0.68 116.57 120.18 2qnc h LYS 114 Ca 0.00 -0.17 0.04 0.00 -0.85 0.00 0.00 60.65 59.67 2qnc h LYS 114 Cb 0.17 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 2qnc h LYS 114 CO 0.00 0.98 -0.24 1.49 -3.45 0.00 0.00 179.45 178.23 2qnc h GLU 115 N -0.64 -0.33 -0.30 1.90 4.81 -1.30 -0.78 114.58 117.93 2qnc h GLU 115 Ca -0.04 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2qnc h GLU 115 Cb 1.09 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2qnc h GLU 115 CO 0.05 -0.22 0.20 0.35 -0.73 0.00 0.00 179.01 178.66 2qnc h PHE 116 N -0.35 0.28 0.00 0.92 3.04 -1.52 -0.93 116.94 118.37 2qnc h PHE 116 Ca 0.08 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.03 2qnc h PHE 116 Cb 0.46 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.87 2qnc h PHE 116 CO -0.30 0.16 -0.02 1.03 -2.02 0.00 0.00 178.31 177.16 2qnc h SER 117 N 0.29 0.00 -0.71 0.41 0.87 0.38 -2.58 113.55 112.20 2qnc h SER 117 Ca 0.12 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.31 2qnc h SER 117 Cb 0.14 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 61.88 2qnc h SER 117 CO -0.03 0.02 0.47 0.54 -0.53 0.00 0.00 176.83 177.30 2qnc n ARG 118 N -3.13 1.91 -2.33 2.24 1.74 -0.35 -4.93 116.66 111.81 2qnc n ARG 118 Ca -0.00 -2.16 -0.09 0.00 -0.77 0.00 0.00 57.85 54.83 2qnc n ARG 118 Cb 0.27 -1.85 -0.00 0.00 -1.02 0.00 0.00 32.46 29.86 2qnc n ARG 118 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qnc n LEU 119 N -0.67 0.00 -4.79 0.55 4.77 -0.97 -5.10 117.00 110.78 2qnc n LEU 119 Ca 0.43 -0.98 -0.32 0.00 -0.03 0.00 0.00 56.01 55.11 2qnc n LEU 119 Cb 1.34 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 42.36 2qnc n LEU 119 CO 0.44 -0.35 -0.25 -0.83 -1.33 0.00 0.00 177.39 175.07 2qnc s GLY 120 N -2.41 2.03 0.30 -0.72 0.00 -1.26 -4.97 107.32 100.30 2qnc s GLY 120 Ca 0.10 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 43.95 2qnc s GLY 120 CO 0.06 -0.81 1.62 1.70 0.00 0.00 0.00 173.10 175.66 2qnc h LYS 121 N 3.82 0.12 0.49 2.90 3.64 -1.98 0.45 116.57 126.01 2qnc h LYS 121 Ca -0.48 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 2qnc h LYS 121 Cb 1.18 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2qnc h LYS 121 CO 0.64 0.08 -0.24 0.93 -2.27 0.00 0.00 179.45 178.59 2qnc h GLU 122 N 0.12 -0.64 -0.69 1.90 3.07 -1.99 -1.73 114.58 114.61 2qnc h GLU 122 Ca 0.59 0.04 0.20 0.00 -0.50 0.00 0.00 59.36 59.70 2qnc h GLU 122 Cb 1.25 0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 29.28 2qnc h GLU 122 CO -0.75 -0.42 0.60 0.93 -1.40 0.00 0.00 179.01 177.96 2qnc h GLU 123 N -0.81 0.00 0.36 2.33 3.07 -1.71 0.17 114.58 117.98 2qnc h GLU 123 Ca -0.07 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 2qnc h GLU 123 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2qnc h GLU 123 CO 0.11 0.00 -0.17 0.52 -1.40 0.00 0.00 179.01 178.07 2qnc h MET 124 N 0.00 -0.46 -0.69 2.33 2.86 0.07 -2.60 114.93 116.44 2qnc h MET 124 Ca 0.33 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 58.15 2qnc h MET 124 Cb 1.52 0.10 -0.11 0.00 0.06 0.00 0.00 31.60 33.17 2qnc h MET 124 CO -0.00 -0.31 0.07 0.52 1.06 0.00 0.00 176.91 178.25 2qnc h MET 125 N -0.59 0.17 -0.43 1.72 2.86 -0.06 -0.47 114.93 118.13 2qnc h MET 125 Ca -0.05 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.67 2qnc h MET 125 Cb 0.37 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.90 2qnc h MET 125 CO 0.08 0.11 -0.26 0.00 1.06 0.00 0.00 176.91 177.90 2qnc h ALA 126 N 1.61 -0.02 -0.07 6.32 0.00 -0.80 0.63 119.26 126.93 2qnc h ALA 126 Ca 0.38 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 2qnc h ALA 126 Cb 0.64 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2qnc h ALA 126 CO -0.55 -0.64 0.04 1.49 0.00 0.00 0.00 179.25 179.60 2qnc h GLU 127 N -0.18 0.10 -0.26 0.00 4.57 -0.76 0.21 114.58 118.26 2qnc h GLU 127 Ca 0.20 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.44 2qnc h GLU 127 Cb 0.50 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2qnc h GLU 127 CO -0.53 0.12 0.21 0.52 -1.18 0.00 0.00 179.01 178.15 2qnc h MET 128 N 0.05 0.00 0.50 1.92 2.86 0.18 0.66 114.93 121.10 2qnc h MET 128 Ca 0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2qnc h MET 128 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2qnc h MET 128 CO -0.00 0.00 -0.24 -0.07 1.06 0.00 0.00 176.91 177.65 2qnc h LEU 129 N 0.00 -0.57 -0.98 1.22 3.38 0.15 0.28 115.31 118.79 2qnc h LEU 129 Ca 0.12 -0.06 0.30 0.00 0.09 0.00 0.00 57.88 58.33 2qnc h LEU 129 Cb 0.55 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.30 2qnc h LEU 129 CO -0.00 -0.19 0.51 1.56 0.09 0.00 0.00 178.44 180.41 2qnc h GLN 130 N -1.04 0.32 -0.01 1.13 1.08 0.99 0.64 115.11 118.22 2qnc h GLN 130 Ca -0.07 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2qnc h GLN 130 Cb 0.60 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2qnc h GLN 130 CO 0.11 0.21 -0.18 0.54 -0.95 0.00 0.00 178.83 178.57 2qnc n ARG 131 N -5.07 1.10 -1.06 1.46 1.74 -0.16 -4.95 116.66 109.72 2qnc n ARG 131 Ca 0.29 -0.65 -0.02 0.00 -0.77 0.00 0.00 57.85 56.70 2qnc n ARG 131 Cb 0.90 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.85 2qnc n ARG 131 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qnc n GLY 132 N 1.29 0.56 3.79 -0.13 0.00 0.22 -5.03 105.19 105.89 2qnc n GLY 132 Ca 0.14 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2qnc n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qnc s PHE 133 N -2.02 2.75 0.17 1.61 0.08 0.00 -5.01 117.98 115.56 2qnc s PHE 133 Ca 0.00 1.24 0.08 0.00 0.12 0.00 0.00 56.93 58.37 2qnc s PHE 133 Cb 0.00 -3.09 -0.04 0.00 -0.57 0.00 0.00 43.02 39.32 2qnc s PHE 133 CO 0.00 -1.82 -0.04 -1.21 -0.10 0.00 0.00 175.22 172.05 2qnc s GLU 134 N -5.07 2.27 0.00 0.44 0.41 -1.26 -4.65 118.70 110.84 2qnc s GLU 134 Ca 0.61 -1.15 0.00 0.00 -0.41 0.00 0.00 54.97 54.02 2qnc s GLU 134 Cb -0.15 -2.29 0.00 0.00 -1.78 0.00 0.00 34.13 29.91 2qnc s GLU 134 CO 0.55 0.45 0.00 2.48 -0.49 0.00 0.00 175.26 178.25 2qnc n TYR 135 N -0.00 0.00 -3.68 1.61 4.11 -1.26 -4.98 117.16 112.96 2qnc n TYR 135 Ca -0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.69 2qnc n TYR 135 Cb 0.55 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.80 2qnc n TYR 135 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 2qnc s ASN 136 N 2.00 -0.64 0.50 9.48 0.01 -1.26 -5.05 114.94 119.97 2qnc s ASN 136 Ca 0.00 1.13 0.21 0.00 -0.71 0.00 0.00 52.86 53.50 2qnc s ASN 136 Cb 0.00 1.08 1.27 0.00 0.41 0.00 0.00 41.25 44.01 2qnc s ASN 136 CO 0.00 -0.20 1.99 -0.33 -1.51 0.00 0.00 177.10 177.05 2qnc h GLU 137 N 6.22 0.14 0.00 -0.60 3.07 -2.03 -1.33 114.58 120.04 2qnc h GLU 137 Ca -0.31 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.51 2qnc h GLU 137 Cb 1.19 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2qnc h GLU 137 CO 0.20 0.09 -0.16 0.66 -1.40 0.00 0.00 179.01 178.40 2qnc h SER 138 N 0.14 0.00 -2.84 1.42 4.64 -2.06 -3.45 113.55 111.40 2qnc h SER 138 Ca 0.26 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.06 2qnc h SER 138 Cb 0.85 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.99 2qnc h SER 138 CO -0.04 0.16 0.88 -1.81 -0.87 0.00 0.00 176.83 175.16 2qnc s ASP 139 N -6.14 6.57 0.77 4.97 1.01 -0.51 -5.00 116.67 118.35 2qnc s ASP 139 Ca -0.02 2.64 -0.13 0.00 0.71 0.00 0.00 52.55 55.75 2qnc s ASP 139 Cb 0.12 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.52 2qnc s ASP 139 CO 0.60 -0.83 1.17 0.28 0.21 0.00 0.00 175.17 176.59 2qnc s THR 140 N 1.09 2.48 0.20 -1.27 -1.32 -1.26 -4.78 115.64 110.78 2qnc s THR 140 Ca 0.70 0.21 -0.10 0.00 -1.21 0.00 0.00 61.69 61.28 2qnc s THR 140 Cb -0.44 -2.63 0.12 0.00 -1.51 0.00 0.00 72.50 68.04 2qnc s THR 140 CO 0.32 -0.16 1.80 0.07 -2.21 0.00 0.00 174.62 174.44 2qnc h LYS 141 N -0.73 0.60 -0.89 7.08 2.10 -1.98 -1.51 116.57 121.24 2qnc h LYS 141 Ca -0.46 -0.04 0.23 0.00 -2.00 0.00 0.00 60.65 58.39 2qnc h LYS 141 Cb 1.28 -0.14 -0.13 0.00 -0.90 0.00 0.00 32.23 32.34 2qnc h LYS 141 CO 0.48 0.40 0.34 1.15 -2.00 0.00 0.00 179.45 179.83 2qnc h THR 142 N 0.62 0.40 -0.11 0.07 2.02 -1.99 0.83 112.91 114.76 2qnc h THR 142 Ca 0.28 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.22 2qnc h THR 142 Cb 0.17 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2qnc h THR 142 CO -0.18 0.06 -0.49 1.56 0.37 0.00 0.00 175.52 176.84 2qnc h GLN 143 N 0.32 0.30 -0.06 6.66 4.20 -1.65 0.14 115.11 125.01 2qnc h GLN 143 Ca 0.56 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 59.10 2qnc h GLN 143 Cb 1.12 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 2qnc h GLN 143 CO -0.58 0.73 0.01 -0.07 -0.67 0.00 0.00 178.83 178.25 2qnc h LEU 144 N 0.24 0.10 0.25 1.46 3.38 0.81 0.36 115.31 121.91 2qnc h LEU 144 Ca 0.01 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2qnc h LEU 144 Cb 0.96 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 2qnc h LEU 144 CO 0.08 0.35 -0.48 0.40 0.09 0.00 0.00 178.44 178.88 2qnc h ILE 145 N -0.14 0.00 -0.87 1.22 1.08 0.55 0.31 117.51 119.67 2qnc h ILE 145 Ca 0.02 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.69 2qnc h ILE 145 Cb 0.29 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.92 2qnc h ILE 145 CO 0.00 0.00 0.38 0.00 -0.69 0.00 0.00 178.15 177.84 2qnc h ALA 146 N -0.77 1.35 -0.04 1.87 0.00 -0.86 0.03 119.26 120.83 2qnc h ALA 146 Ca -0.03 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2qnc h ALA 146 Cb 0.74 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2qnc h ALA 146 CO -0.18 -0.28 -0.02 1.03 0.00 0.00 0.00 179.25 179.79 2qnc h SER 147 N 0.44 0.09 -0.75 0.00 0.87 0.55 -2.11 113.55 112.63 2qnc h SER 147 Ca 0.52 -0.43 0.15 0.00 -1.23 0.00 0.00 61.79 60.81 2qnc h SER 147 Cb 0.93 -0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 62.76 2qnc h SER 147 CO -0.49 0.50 0.26 0.15 -0.53 0.00 0.00 176.83 176.72 2qnc h PHE 148 N -0.31 0.44 0.51 2.24 3.57 0.83 0.20 116.94 124.42 2qnc h PHE 148 Ca 0.01 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2qnc h PHE 148 Cb 0.46 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2qnc h PHE 148 CO 0.07 0.01 -0.34 -0.22 -2.23 0.00 0.00 178.31 175.59 2qnc h LYS 149 N 0.38 -0.79 -0.66 1.11 3.64 -0.92 0.23 116.57 119.55 2qnc h LYS 149 Ca 0.42 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.84 2qnc h LYS 149 Cb 0.67 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 2qnc h LYS 149 CO -0.44 -0.53 0.34 -0.22 -2.27 0.00 0.00 179.45 176.33 2qnc h LYS 150 N -0.82 0.92 0.03 1.90 3.64 -0.58 -0.96 116.57 120.69 2qnc h LYS 150 Ca -0.06 -0.11 -0.22 0.00 -1.27 0.00 0.00 60.65 59.00 2qnc h LYS 150 Cb 0.68 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2qnc h LYS 150 CO 0.04 0.69 -0.87 1.96 -2.27 0.00 0.00 179.45 179.00 2qnc h GLN 151 N 0.92 0.54 -0.52 1.90 4.20 -0.46 -2.80 115.11 118.90 2qnc h GLN 151 Ca 0.23 -0.62 0.05 0.00 0.06 0.00 0.00 58.65 58.37 2qnc h GLN 151 Cb 0.06 0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 2qnc h GLN 151 CO -0.03 1.24 0.26 1.25 -0.67 0.00 0.00 178.83 180.87 2qnc h LEU 152 N 0.11 0.37 0.06 1.46 5.85 -0.35 -0.15 115.31 122.65 2qnc h LEU 152 Ca -0.12 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2qnc h LEU 152 Cb 1.56 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.50 2qnc h LEU 152 CO 0.17 0.25 -0.53 -0.09 -0.34 0.00 0.00 178.44 177.90 2qnc h ARG 153 N 0.50 -0.69 -0.95 1.25 2.43 -1.19 -1.67 114.38 114.06 2qnc h ARG 153 Ca 0.23 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.54 2qnc h ARG 153 Cb 0.15 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 2qnc h ARG 153 CO -0.17 -0.46 0.60 -0.22 -1.51 0.00 0.00 179.97 178.21 2qnc h LYS 154 N -0.71 0.99 0.00 0.20 3.64 -1.20 -0.80 116.57 118.69 2qnc h LYS 154 Ca 0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2qnc h LYS 154 Cb 0.74 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2qnc h LYS 154 CO -0.32 0.66 0.00 -1.13 -2.27 0.00 0.00 179.45 176.38 2qnc n SER 155 N -4.60 0.00 0.00 4.20 3.41 -0.10 -1.79 113.62 114.74 2qnc n SER 155 Ca 0.16 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 2qnc n SER 155 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2qnc n SER 155 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qnc n LEU 156 N -0.99 1.68 0.00 1.04 4.77 -0.31 -5.05 117.00 118.14 2qnc n LEU 156 Ca 0.11 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 2qnc n LEU 156 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2qnc n LEU 156 CO 0.08 0.42 0.00 1.17 -1.33 0.00 0.00 177.39 177.73