#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qyc n THR 2 N 0.00 0.00 -3.74 2.61 -2.24 -1.26 -4.71 114.28 104.94 2qyc n THR 2 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 2qyc n THR 2 Cb 0.00 0.00 -0.18 0.00 -2.10 0.00 0.00 70.33 68.05 2qyc n THR 2 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2qyc s PHE 4 N 0.00 0.57 -0.07 4.78 5.36 -0.12 -4.64 117.98 123.87 2qyc s PHE 4 Ca 0.00 -0.15 -0.11 0.00 -0.96 0.00 0.00 56.93 55.71 2qyc s PHE 4 Cb 0.00 -0.76 -0.05 0.00 -0.34 0.00 0.00 43.02 41.87 2qyc s PHE 4 CO 0.00 -0.33 0.26 -1.17 -1.46 0.00 0.00 175.22 172.52 2qyc s LEU 5 N 2.01 4.43 -0.15 6.12 2.96 -0.11 -0.65 118.68 133.28 2qyc s LEU 5 Ca 0.04 0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 54.61 2qyc s LEU 5 Cb -0.13 -2.31 0.05 0.00 0.50 0.00 0.00 46.19 44.31 2qyc s LEU 5 CO -0.05 0.37 0.07 -2.28 -1.32 0.00 0.00 176.35 173.13 2qyc s HIS 6 N -1.02 0.39 -0.14 5.38 5.65 0.28 -1.86 115.29 123.97 2qyc s HIS 6 Ca 0.19 -0.34 0.01 0.00 0.25 0.00 0.00 55.06 55.17 2qyc s HIS 6 Cb -0.14 -0.74 0.02 0.00 -1.18 0.00 0.00 32.58 30.53 2qyc s HIS 6 CO 0.08 -0.48 -0.17 0.08 -0.65 0.00 0.00 174.74 173.60 2qyc s VAL 7 N 2.07 1.74 0.54 0.89 1.01 0.70 -0.81 120.40 126.53 2qyc s VAL 7 Ca 0.02 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2qyc s VAL 7 Cb -0.15 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.66 2qyc s VAL 7 CO -0.08 0.49 0.17 -0.69 0.00 0.00 0.00 175.10 174.99 2qyc s VAL 8 N 1.14 1.26 -0.11 2.92 1.01 0.08 -1.00 120.40 125.71 2qyc s VAL 8 Ca -0.02 -1.80 0.03 0.00 0.00 0.00 0.00 61.98 60.20 2qyc s VAL 8 Cb -0.14 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2qyc s VAL 8 CO -0.06 0.00 -0.20 -0.70 0.00 0.00 0.00 175.10 174.14 2qyc s GLU 11 N -4.06 2.69 0.34 2.72 2.12 -0.52 -1.23 118.70 120.76 2qyc s GLU 11 Ca 0.14 -0.74 0.07 0.00 0.36 0.00 0.00 54.97 54.80 2qyc s GLU 11 Cb -0.01 -2.14 -0.02 0.00 0.26 0.00 0.00 34.13 32.23 2qyc s GLU 11 CO 0.09 0.05 0.37 -0.06 -0.54 0.00 0.00 175.26 175.17 2qyc s PHE 12 N 0.66 2.96 0.71 5.30 0.08 -1.26 -0.12 117.98 126.31 2qyc s PHE 12 Ca -0.12 -0.29 -0.15 0.00 0.12 0.00 0.00 56.93 56.48 2qyc s PHE 12 Cb -0.16 -1.92 0.03 0.00 -0.57 0.00 0.00 43.02 40.40 2qyc s PHE 12 CO 0.03 0.07 1.20 0.16 -0.10 0.00 0.00 175.22 176.58 2qyc s ASP 13 N -4.08 4.36 0.29 1.36 -4.77 0.13 -4.64 116.67 109.32 2qyc s ASP 13 Ca 0.43 2.33 0.25 0.00 -3.30 0.00 0.00 52.55 52.27 2qyc s ASP 13 Cb -0.07 -2.59 1.01 0.00 -1.09 0.00 0.00 42.92 40.18 2qyc s ASP 13 CO 0.28 -2.15 1.75 0.44 0.70 0.00 0.00 175.17 176.19 2qyc h ASP 14 N -0.15 0.00 0.57 2.11 3.32 -1.99 -3.18 116.42 117.10 2qyc h ASP 14 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2qyc h ASP 14 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2qyc h ASP 14 CO 0.51 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.64 2qyc n GLY 15 N 0.11 -1.07 3.76 2.75 0.00 -1.26 -4.92 105.19 104.56 2qyc n GLY 15 Ca 0.02 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2qyc n GLY 15 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qyc s ILE 16 N -2.96 2.93 0.43 -0.61 -4.36 -1.20 -5.05 121.20 110.38 2qyc s ILE 16 Ca 0.09 0.56 0.03 0.00 -0.26 0.00 0.00 60.65 61.07 2qyc s ILE 16 Cb 0.11 -3.19 -0.04 0.00 1.25 0.00 0.00 42.46 40.59 2qyc s ILE 16 CO 0.31 -0.15 0.05 -1.81 0.24 0.00 0.00 174.94 173.58 2qyc s ASP 17 N -1.80 3.46 0.40 4.36 1.01 -1.26 -5.00 116.67 117.84 2qyc s ASP 17 Ca 0.74 -1.56 0.15 0.00 0.71 0.00 0.00 52.55 52.59 2qyc s ASP 17 Cb -0.26 0.24 1.02 0.00 1.01 0.00 0.00 42.92 44.92 2qyc s ASP 17 CO 0.32 -0.75 1.86 0.00 0.21 0.00 0.00 175.17 176.81 2qyc h ALA 18 N 1.67 2.10 -1.00 5.23 0.00 -2.00 0.10 119.26 125.36 2qyc h ALA 18 Ca -0.41 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.59 2qyc h ALA 18 Cb 1.28 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 2qyc h ALA 18 CO 0.70 -0.37 0.64 0.78 0.00 0.00 0.00 179.25 181.00 2qyc h GLY 19 N 0.47 1.54 0.82 0.00 0.00 -1.99 -0.47 103.07 103.45 2qyc h GLY 19 Ca 0.46 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2qyc h GLY 19 CO -0.18 0.30 0.07 -2.75 0.00 0.00 0.00 176.54 173.98 2qyc h PHE 20 N 1.14 0.12 -0.28 5.60 3.57 -1.18 -1.36 116.94 124.55 2qyc h PHE 20 Ca 0.44 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.85 2qyc h PHE 20 Cb 0.23 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2qyc h PHE 20 CO -0.00 0.06 -0.25 0.74 -2.23 0.00 0.00 178.31 176.63 2qyc h PHE 21 N 0.17 0.61 -0.65 0.41 0.04 -1.42 -0.94 116.94 115.17 2qyc h PHE 21 Ca 0.09 -0.13 0.05 0.00 2.80 0.00 0.00 57.97 60.78 2qyc h PHE 21 Cb 0.06 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.02 2qyc h PHE 21 CO -0.12 0.75 0.37 0.00 -0.60 0.00 0.00 178.31 178.70 2qyc h ARG 22 N 0.48 0.68 -0.36 1.51 3.08 -0.67 -1.28 114.38 117.82 2qyc h ARG 22 Ca 0.07 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 2qyc h ARG 22 Cb 0.69 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2qyc h ARG 22 CO 0.05 0.45 -0.22 1.15 -1.07 0.00 0.00 179.97 180.33 2qyc h THR 23 N 0.70 1.28 -0.59 2.04 2.02 -0.81 -2.67 112.91 114.88 2qyc h THR 23 Ca 0.28 -1.37 0.08 0.00 0.77 0.00 0.00 66.41 66.17 2qyc h THR 23 Cb 0.13 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 2qyc h THR 23 CO -0.15 0.45 0.25 0.58 0.37 0.00 0.00 175.52 177.02 2qyc h VAL 24 N 0.59 0.84 -0.02 3.16 2.07 -0.97 -2.00 116.25 119.92 2qyc h VAL 24 Ca 0.08 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2qyc h VAL 24 Cb 0.78 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2qyc h VAL 24 CO 0.06 0.08 -0.19 0.44 0.02 0.00 0.00 177.57 177.99 2qyc h ASP 25 N 0.46 0.02 -0.42 0.57 3.32 -1.13 0.37 116.42 119.61 2qyc h ASP 25 Ca 0.29 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.21 2qyc h ASP 25 Cb 0.30 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2qyc h ASP 25 CO -0.26 0.21 -0.20 -0.33 -1.72 0.00 0.00 179.24 176.95 2qyc h GLU 26 N 0.03 0.92 -0.46 3.56 5.08 -1.02 -0.97 114.58 121.71 2qyc h GLU 26 Ca 0.00 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 57.92 2qyc h GLU 26 Cb 0.35 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2qyc h GLU 26 CO 0.02 1.03 0.01 1.88 -1.00 0.00 0.00 179.01 180.95 2qyc h TYR 27 N 0.80 0.88 -0.37 4.33 0.05 -0.89 -2.79 116.97 118.98 2qyc h TYR 27 Ca 0.11 -0.15 0.06 0.00 0.05 0.00 0.00 58.73 58.80 2qyc h TYR 27 Cb 0.75 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 38.21 2qyc h TYR 27 CO 0.05 0.84 0.03 0.28 -1.05 0.00 0.00 178.16 178.31 2qyc h VAL 28 N 0.65 0.75 -0.86 -2.88 2.07 -0.76 -1.73 116.25 113.50 2qyc h VAL 28 Ca 0.13 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 67.73 2qyc h VAL 28 Cb 0.49 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 2qyc h VAL 28 CO 0.02 0.02 0.48 0.00 0.02 0.00 0.00 177.57 178.12 2qyc h ALA 29 N 1.31 1.28 0.00 1.67 0.00 -1.08 -3.37 119.26 119.07 2qyc h ALA 29 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qyc h ALA 29 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qyc h ALA 29 CO -0.28 0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.54 2qyc n ARG 30 N -4.78 0.19 0.00 0.00 1.74 -0.65 -4.31 116.66 108.85 2qyc n ARG 30 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2qyc n ARG 30 Cb 0.37 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 2qyc n ARG 30 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qyc n LYS 32 N 1.89 0.00 -0.08 5.56 4.76 -1.26 -0.56 118.16 128.47 2qyc n LYS 32 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 2qyc n LYS 32 Cb 0.09 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.28 2qyc n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qyc h ARG 33 N 0.00 -0.20 0.00 1.97 2.47 -1.92 -3.31 114.38 113.38 2qyc h ARG 33 Ca 0.00 0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.57 2qyc h ARG 33 Cb 0.00 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.34 2qyc h ARG 33 CO 0.00 -0.13 -1.57 0.39 0.56 0.00 0.00 179.97 179.22 2qyc n GLU 34 N -5.39 0.63 -4.04 0.04 1.02 0.28 -4.91 120.64 108.28 2qyc n GLU 34 Ca 0.01 0.14 -0.34 0.00 -0.02 0.00 0.00 57.16 56.94 2qyc n GLU 34 Cb 0.30 -1.74 -0.06 0.00 -0.02 0.00 0.00 31.44 29.91 2qyc n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qyc s ASP 36 N -1.57 6.53 -1.68 0.00 1.01 -1.26 -4.31 116.67 115.39 2qyc s ASP 36 Ca 0.22 1.14 0.00 0.00 0.71 0.00 0.00 52.55 54.61 2qyc s ASP 36 Cb -0.12 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.48 2qyc s ASP 36 CO 0.12 -0.40 0.00 0.61 0.21 0.00 0.00 175.17 175.72 2qyc n GLY 37 N -1.27 0.31 3.63 0.21 0.00 -1.26 -4.88 105.19 101.92 2qyc n GLY 37 Ca 0.02 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 2qyc n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qyc s LEU 38 N -4.88 4.08 -0.16 0.99 2.96 -1.26 -0.30 118.68 120.11 2qyc s LEU 38 Ca 0.00 0.24 0.17 0.00 -0.22 0.00 0.00 54.13 54.32 2qyc s LEU 38 Cb 0.00 -2.31 -0.25 0.00 0.50 0.00 0.00 46.19 44.14 2qyc s LEU 38 CO 0.00 -0.07 0.20 0.18 -1.32 0.00 0.00 176.35 175.34 2qyc n LEU 39 N 4.83 0.18 -3.74 -0.68 4.77 0.21 -4.95 117.00 117.62 2qyc n LEU 39 Ca -0.11 0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 2qyc n LEU 39 Cb 0.51 0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.92 2qyc n LEU 39 CO 0.36 0.47 0.05 -0.22 -1.33 0.00 0.00 177.39 176.72 2qyc s LEU 40 N -5.59 0.56 -0.23 2.23 2.96 -0.90 -4.92 118.68 112.78 2qyc s LEU 40 Ca -0.09 0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 54.48 2qyc s LEU 40 Cb 0.07 1.29 0.10 0.00 0.50 0.00 0.00 46.19 48.15 2qyc s LEU 40 CO 0.83 -0.14 0.51 -0.47 -1.32 0.00 0.00 176.35 175.76 2qyc s TYR 41 N 0.17 -0.97 -0.04 5.38 5.04 -1.26 -1.90 117.35 123.77 2qyc s TYR 41 Ca -0.00 1.80 -0.17 0.00 -2.44 0.00 0.00 57.07 56.26 2qyc s TYR 41 Cb -0.03 0.48 0.03 0.00 0.35 0.00 0.00 41.96 42.80 2qyc s TYR 41 CO 0.01 -0.53 0.38 -1.58 -1.34 0.00 0.00 175.55 172.49 2qyc s HIS 42 N 2.53 -0.30 -0.07 4.97 5.65 -0.49 -5.00 115.29 122.58 2qyc s HIS 42 Ca -0.04 0.55 0.02 0.00 0.25 0.00 0.00 55.06 55.84 2qyc s HIS 42 Cb -0.11 0.15 0.01 0.00 -1.18 0.00 0.00 32.58 31.46 2qyc s HIS 42 CO -0.15 -0.39 -0.13 0.12 -0.65 0.00 0.00 174.74 173.54 2qyc s PHE 43 N -1.03 1.52 0.28 3.88 2.19 -1.26 -0.97 117.98 122.59 2qyc s PHE 43 Ca -0.11 -0.58 -0.19 0.00 0.33 0.00 0.00 56.93 56.39 2qyc s PHE 43 Cb -0.04 -1.11 0.07 0.00 -1.31 0.00 0.00 43.02 40.63 2qyc s PHE 43 CO 0.04 -0.29 0.93 0.20 1.83 0.00 0.00 175.22 177.93 2qyc s GLY 44 N 0.68 0.27 0.26 13.12 0.00 -0.59 -4.99 107.32 116.07 2qyc s GLY 44 Ca -0.14 -0.57 -0.29 0.00 0.00 0.00 0.00 44.72 43.71 2qyc s GLY 44 CO 0.04 1.37 1.13 -0.54 0.00 0.00 0.00 173.10 175.10 2qyc s GLU 45 N -2.10 4.59 -0.20 2.90 2.02 -1.26 -0.51 118.70 124.14 2qyc s GLU 45 Ca 0.20 1.84 -0.29 0.00 0.02 0.00 0.00 54.97 56.74 2qyc s GLU 45 Cb -0.04 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 2qyc s GLU 45 CO 0.08 0.13 1.21 1.21 0.02 0.00 0.00 175.26 177.91 2qyc s ASN 46 N -0.64 6.96 0.00 -0.19 3.84 0.06 -4.81 114.94 120.16 2qyc s ASN 46 Ca 0.46 1.55 0.17 0.00 0.21 0.00 0.00 52.86 55.26 2qyc s ASN 46 Cb -0.32 -2.54 0.33 0.00 -0.55 0.00 0.00 41.25 38.16 2qyc s ASN 46 CO 0.41 -0.77 1.25 1.33 -2.79 0.00 0.00 177.10 176.52 2qyc n VAL 47 N 5.45 0.53 -2.30 -5.21 0.24 -1.26 -4.88 118.33 110.91 2qyc n VAL 47 Ca 0.13 -0.77 -0.35 0.00 -2.04 0.00 0.00 64.34 61.32 2qyc n VAL 47 Cb 0.45 0.91 -0.00 0.00 -1.47 0.00 0.00 33.84 33.73 2qyc n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qyc s ALA 48 N -1.22 2.76 0.11 2.33 0.00 -1.26 -4.95 121.76 119.53 2qyc s ALA 48 Ca 0.29 0.81 -0.15 0.00 0.00 0.00 0.00 51.96 52.92 2qyc s ALA 48 Cb 0.17 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 2qyc s ALA 48 CO 0.24 -0.69 1.51 0.00 0.00 0.00 0.00 175.76 176.82 2qyc h ALA 49 N 1.38 0.49 -0.73 0.00 0.00 -2.03 -3.29 119.26 115.08 2qyc h ALA 49 Ca -0.50 -0.31 -0.58 0.00 0.00 0.00 0.00 54.91 53.52 2qyc h ALA 49 Cb 1.25 -0.12 -0.21 0.00 0.00 0.00 0.00 17.79 18.71 2qyc h ALA 49 CO 0.58 0.35 0.66 0.54 0.00 0.00 0.00 179.25 181.38 2qyc n ARG 50 N -4.39 2.45 0.23 0.00 1.74 -1.26 -4.52 116.66 110.92 2qyc n ARG 50 Ca -0.02 -2.70 0.11 0.00 -0.77 0.00 0.00 57.85 54.47 2qyc n ARG 50 Cb 0.35 -2.12 0.51 0.00 -1.02 0.00 0.00 32.46 30.19 2qyc n ARG 50 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2qyc h SER 51 N 2.62 0.00 -1.62 0.55 4.64 -1.89 -3.48 113.55 114.37 2qyc h SER 51 Ca 0.46 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.48 2qyc h SER 51 Cb 0.56 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.60 2qyc h SER 51 CO 1.13 0.20 -0.34 1.67 -0.87 0.00 0.00 176.83 178.61 2qyc n GLN 52 N -3.41 -1.12 -0.04 4.77 -0.06 -1.26 -1.73 117.38 114.54 2qyc n GLN 52 Ca -0.00 0.82 0.00 0.00 -2.00 0.00 0.00 57.00 55.82 2qyc n GLN 52 Cb 0.39 -5.07 0.00 0.00 -4.06 0.00 0.00 30.24 21.50 2qyc n GLN 52 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qyc n GLY 53 N -1.07 1.27 3.50 1.69 0.00 -1.26 -4.99 105.19 104.33 2qyc n GLY 53 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2qyc n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qyc s TYR 54 N -2.48 2.68 -0.47 1.61 2.02 -0.70 -4.55 117.35 115.46 2qyc s TYR 54 Ca 0.00 -0.25 0.24 0.00 -0.37 0.00 0.00 57.07 56.69 2qyc s TYR 54 Cb 0.00 -4.24 0.26 0.00 -0.40 0.00 0.00 41.96 37.58 2qyc s TYR 54 CO 0.00 -1.57 1.31 1.79 -1.57 0.00 0.00 175.55 175.51 2qyc h THR 55 N 6.00 0.00 -3.98 -0.71 1.35 -1.92 -3.43 112.91 110.22 2qyc h THR 55 Ca -0.27 -0.76 -0.10 0.00 -0.55 0.00 0.00 66.41 64.72 2qyc h THR 55 Cb 1.07 1.43 -0.15 0.00 -1.73 0.00 0.00 68.15 68.77 2qyc h THR 55 CO 1.15 0.00 -0.51 -1.00 -0.25 0.00 0.00 175.52 174.91 2qyc s HIS 56 N -3.24 0.30 -0.03 4.73 3.76 -1.26 -0.76 115.29 118.79 2qyc s HIS 56 Ca 0.04 -0.76 -0.11 0.00 -0.15 0.00 0.00 55.06 54.08 2qyc s HIS 56 Cb 0.10 -0.20 0.02 0.00 1.11 0.00 0.00 32.58 33.61 2qyc s HIS 56 CO 0.73 -0.46 0.24 0.00 -0.85 0.00 0.00 174.74 174.40 2qyc s ALA 57 N -3.71 -0.60 -0.10 -1.40 0.00 0.34 -4.76 121.76 111.53 2qyc s ALA 57 Ca 0.04 0.31 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 2qyc s ALA 57 Cb 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2qyc s ALA 57 CO -0.10 -0.20 0.68 0.99 0.00 0.00 0.00 175.76 177.13 2qyc s THR 58 N -0.91 5.05 -0.10 0.00 2.01 -0.37 -1.55 115.64 119.78 2qyc s THR 58 Ca -0.10 1.38 0.03 0.00 0.31 0.00 0.00 61.69 63.31 2qyc s THR 58 Cb -0.05 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 2qyc s THR 58 CO 0.02 0.22 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.54 2qyc s SER 59 N 0.86 3.51 -0.02 3.53 0.01 -0.14 -0.74 113.70 120.71 2qyc s SER 59 Ca 0.35 -0.43 -0.15 0.00 1.31 0.00 0.00 55.95 57.03 2qyc s SER 59 Cb -0.17 -1.34 0.02 0.00 0.21 0.00 0.00 66.02 64.74 2qyc s SER 59 CO 0.16 0.19 0.31 -0.94 0.41 0.00 0.00 173.24 173.37 2qyc s SER 60 N 0.17 -0.20 -0.02 2.44 1.04 0.01 -1.40 113.70 115.74 2qyc s SER 60 Ca -0.11 0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.45 2qyc s SER 60 Cb -0.16 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.29 2qyc s SER 60 CO 0.06 -0.44 -0.06 0.00 0.98 0.00 0.00 173.24 173.79 2qyc s ALA 61 N -1.28 0.61 0.28 5.32 0.00 -0.80 -0.56 121.76 125.34 2qyc s ALA 61 Ca -0.13 -0.18 0.12 0.00 0.00 0.00 0.00 51.96 51.77 2qyc s ALA 61 Cb -0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 2qyc s ALA 61 CO 0.04 0.08 -0.20 -0.06 0.00 0.00 0.00 175.76 175.62 2qyc s PHE 62 N 0.33 2.28 0.42 0.00 0.40 0.18 0.68 117.98 122.26 2qyc s PHE 62 Ca -0.04 -0.34 0.08 0.00 -0.60 0.00 0.00 56.93 56.04 2qyc s PHE 62 Cb -0.08 -0.99 0.90 0.00 0.51 0.00 0.00 43.02 43.36 2qyc s PHE 62 CO -0.00 0.71 2.06 -0.39 0.70 0.00 0.00 175.22 178.30 2qyc h VAL 63 N 2.29 1.10 -2.44 -0.44 -1.51 -0.96 -0.27 116.25 114.01 2qyc h VAL 63 Ca -0.40 -0.20 0.16 0.00 -1.23 0.00 0.00 66.70 65.02 2qyc h VAL 63 Cb 1.26 0.61 -0.06 0.00 -2.13 0.00 0.00 31.29 30.96 2qyc h VAL 63 CO 0.60 0.10 0.49 1.51 -1.23 0.00 0.00 177.57 179.04 2qyc s ASP 64 N -6.74 -0.12 0.56 4.19 1.47 -1.26 -4.30 116.67 110.46 2qyc s ASP 64 Ca -0.08 -0.53 0.28 0.00 1.18 0.00 0.00 52.55 53.40 2qyc s ASP 64 Cb 0.17 0.52 1.63 0.00 -0.34 0.00 0.00 42.92 44.90 2qyc s ASP 64 CO 0.72 -0.99 2.17 0.00 0.68 0.00 0.00 175.17 177.76 2qyc h ALA 65 N 2.00 1.46 -0.11 2.11 0.00 -1.93 -2.26 119.26 120.52 2qyc h ALA 65 Ca -0.25 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 2qyc h ALA 65 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2qyc h ALA 65 CO 0.29 0.07 -0.74 0.00 0.00 0.00 0.00 179.25 178.87 2qyc h ALA 66 N 1.95 0.50 -0.51 0.00 0.00 -1.98 -0.21 119.26 119.00 2qyc h ALA 66 Ca -0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 2qyc h ALA 66 Cb 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2qyc h ALA 66 CO 0.01 0.73 0.09 0.00 0.00 0.00 0.00 179.25 180.08 2qyc h ALA 67 N 0.80 1.21 -0.35 0.00 0.00 -1.76 -1.02 119.26 118.14 2qyc h ALA 67 Ca -0.04 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 2qyc h ALA 67 Cb 1.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2qyc h ALA 67 CO 0.14 0.54 -0.42 1.25 0.00 0.00 0.00 179.25 180.76 2qyc h HIS 68 N 0.76 1.07 -0.32 0.00 -0.00 -1.31 -1.57 115.15 113.78 2qyc h HIS 68 Ca 0.16 -0.33 0.07 0.00 -0.00 0.00 0.00 60.37 60.27 2qyc h HIS 68 Cb 0.33 -0.22 -0.07 0.00 -0.00 0.00 0.00 27.41 27.45 2qyc h HIS 68 CO 0.02 1.15 -0.14 0.22 -0.00 0.00 0.00 177.93 179.18 2qyc h ASP 69 N 0.71 -0.46 0.25 3.26 1.82 -0.76 -2.63 116.42 118.61 2qyc h ASP 69 Ca 0.05 0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 56.78 2qyc h ASP 69 Cb 1.01 0.26 -0.00 0.00 0.68 0.00 0.00 39.33 41.28 2qyc h ASP 69 CO 0.10 -0.17 -0.15 0.00 -1.61 0.00 0.00 179.24 177.41 2qyc h ALA 70 N 1.18 1.50 0.00 -0.78 0.00 -0.79 -2.67 119.26 117.70 2qyc h ALA 70 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2qyc h ALA 70 Cb 0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qyc h ALA 70 CO -0.37 0.18 -0.10 -0.92 0.00 0.00 0.00 179.25 178.04 2qyc h TYR 71 N 0.00 0.00 -1.03 0.00 3.20 -0.91 -2.42 116.97 115.81 2qyc h TYR 71 Ca -0.00 0.00 0.28 0.00 3.14 0.00 0.00 58.73 62.15 2qyc h TYR 71 Cb 0.31 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 2qyc h TYR 71 CO 0.00 0.10 0.70 1.96 -1.64 0.00 0.00 178.16 179.28 2qyc h GLN 72 N 0.00 0.21 -0.35 1.82 1.08 -1.47 -0.52 115.11 115.89 2qyc h GLN 72 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2qyc h GLN 72 Cb 0.21 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2qyc h GLN 72 CO 0.01 0.14 0.00 1.33 -0.95 0.00 0.00 178.83 179.36 2qyc n VAL 73 N -4.43 1.00 -1.68 -0.54 0.24 -0.92 -4.56 118.33 107.44 2qyc n VAL 73 Ca 0.23 -1.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.11 2qyc n VAL 73 Cb 0.97 0.50 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 2qyc n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qyc h PRO 75 N 9.15 1.03 -0.93 0.00 0.11 -1.91 0.83 132.00 140.28 2qyc h PRO 75 Ca -0.47 -0.14 0.16 0.00 0.11 0.00 0.00 66.00 65.66 2qyc h PRO 75 Cb 1.23 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 32.07 2qyc h PRO 75 CO 0.95 0.79 0.59 0.00 -0.21 0.00 0.00 178.00 180.12 2qyc h ALA 76 N 1.36 1.82 0.07 -0.75 0.00 -1.92 -1.62 119.26 118.23 2qyc h ALA 76 Ca 0.25 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2qyc h ALA 76 Cb 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qyc h ALA 76 CO -0.03 -0.10 -0.56 1.25 0.00 0.00 0.00 179.25 179.81 2qyc h HIS 77 N 0.70 0.43 -0.93 0.00 -0.00 -1.38 -3.26 115.15 110.71 2qyc h HIS 77 Ca 0.48 -0.29 0.13 0.00 -0.00 0.00 0.00 60.37 60.70 2qyc h HIS 77 Cb 0.79 -0.03 -0.09 0.00 -0.00 0.00 0.00 27.41 28.09 2qyc h HIS 77 CO -0.00 1.18 0.55 0.28 -0.00 0.00 0.00 177.93 179.94 2qyc h VAL 78 N -0.43 0.85 0.00 5.26 2.07 -0.78 -0.36 116.25 122.86 2qyc h VAL 78 Ca -0.09 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2qyc h VAL 78 Cb 1.39 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2qyc h VAL 78 CO 0.11 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.85 2qyc n ALA 79 N -2.37 1.84 0.00 1.67 0.00 -0.62 -1.92 120.51 119.11 2qyc n ALA 79 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2qyc n ALA 79 Cb 0.39 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2qyc n ALA 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qyc n LYS 81 N 0.40 0.00 -0.08 0.00 4.81 -0.15 -1.10 118.16 122.04 2qyc n LYS 81 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 2qyc n LYS 81 Cb 0.17 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.38 2qyc n LYS 81 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qyc h ALA 82 N 0.00 1.09 0.00 3.14 0.00 -1.62 -0.16 119.26 121.70 2qyc h ALA 82 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qyc h ALA 82 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2qyc h ALA 82 CO 0.00 0.57 0.00 0.34 0.00 0.00 0.00 179.25 180.16 2qyc n PHE 83 N -4.19 0.00 0.00 0.00 7.35 -0.26 -4.47 117.46 115.89 2qyc n PHE 83 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 2qyc n PHE 83 Cb 0.33 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.15 2qyc n PHE 83 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2qyc n GLY 85 N 0.09 0.15 0.17 7.13 0.00 -0.08 -4.61 105.19 108.05 2qyc n GLY 85 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2qyc n GLY 85 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qyc h PRO 86 N 0.00 0.00 0.00 1.61 0.11 -1.85 -2.71 132.00 129.16 2qyc h PRO 86 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qyc h PRO 86 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2qyc h PRO 86 CO 0.00 0.00 -1.03 0.54 -0.21 0.00 0.00 178.00 177.30 2qyc n ARG 87 N -2.31 0.83 -2.85 1.05 5.12 -1.26 -4.94 116.66 112.30 2qyc n ARG 87 Ca -0.01 -0.03 -0.41 0.00 -1.93 0.00 0.00 57.85 55.46 2qyc n ARG 87 Cb 0.04 -1.39 -0.04 0.00 -1.16 0.00 0.00 32.46 29.92 2qyc n ARG 87 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2qyc s ILE 88 N -2.84 4.88 -0.14 0.55 1.01 -1.02 0.19 121.20 123.83 2qyc s ILE 88 Ca 0.05 1.74 -0.13 0.00 0.00 0.00 0.00 60.65 62.31 2qyc s ILE 88 Cb 0.14 -4.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 2qyc s ILE 88 CO 0.77 0.07 0.15 0.11 0.00 0.00 0.00 174.94 176.04 2qyc h LYS 89 N 7.15 0.00 -4.48 2.79 1.57 -0.78 -3.46 116.57 119.35 2qyc h LYS 89 Ca -0.32 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.19 2qyc h LYS 89 Cb 1.15 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.24 2qyc h LYS 89 CO 0.82 0.40 -0.73 1.03 -0.57 0.00 0.00 179.45 180.40 2qyc s ARG 90 N -2.04 0.49 0.13 3.15 0.52 -1.11 -5.01 118.95 115.09 2qyc s ARG 90 Ca -0.14 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 2qyc s ARG 90 Cb 0.01 -0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.18 2qyc s ARG 90 CO 0.32 0.04 -0.10 0.14 0.02 0.00 0.00 175.30 175.72 2qyc s VAL 91 N -1.29 1.11 -0.01 3.52 -7.23 -1.26 -1.45 120.40 113.79 2qyc s VAL 91 Ca -0.10 -1.93 -0.00 0.00 -1.81 0.00 0.00 61.98 58.15 2qyc s VAL 91 Cb -0.09 -1.70 0.01 0.00 0.56 0.00 0.00 36.38 35.16 2qyc s VAL 91 CO 0.00 -0.68 0.01 0.54 -0.31 0.00 0.00 175.10 174.66 2qyc s VAL 92 N -3.02 -0.01 -0.04 1.32 0.11 -1.26 -5.06 120.40 112.43 2qyc s VAL 92 Ca 0.13 0.05 0.07 0.00 -2.93 0.00 0.00 61.98 59.30 2qyc s VAL 92 Cb 0.01 -0.03 -0.01 0.00 -1.53 0.00 0.00 36.38 34.81 2qyc s VAL 92 CO 0.00 0.02 -0.24 -0.69 -3.33 0.00 0.00 175.10 170.86 2qyc s VAL 93 N 0.24 1.93 -0.15 2.04 1.01 -1.26 -4.47 120.40 119.75 2qyc s VAL 93 Ca -0.02 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2qyc s VAL 93 Cb -0.03 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 2qyc s VAL 93 CO -0.01 0.54 -0.17 -0.47 0.00 0.00 0.00 175.10 175.00 2qyc s TYR 94 N -0.35 2.75 -0.04 5.22 5.04 -0.17 -5.00 117.35 124.80 2qyc s TYR 94 Ca 0.03 -1.05 0.04 0.00 -2.44 0.00 0.00 57.07 53.65 2qyc s TYR 94 Cb -0.11 -1.86 -0.00 0.00 0.35 0.00 0.00 41.96 40.33 2qyc s TYR 94 CO 0.01 -0.47 -0.17 -0.51 -1.34 0.00 0.00 175.55 173.08 2qyc s ASP 95 N 0.74 2.11 -0.27 4.32 1.01 -1.26 -0.22 116.67 123.11 2qyc s ASP 95 Ca -0.07 -0.34 -0.35 0.00 0.71 0.00 0.00 52.55 52.49 2qyc s ASP 95 Cb -0.16 -0.57 0.16 0.00 1.01 0.00 0.00 42.92 43.37 2qyc s ASP 95 CO 0.01 0.15 1.34 -0.83 0.21 0.00 0.00 175.17 176.05 2qyc s GLY 96 N 0.03 -0.14 -0.00 0.21 0.00 -0.78 -5.00 107.32 101.63 2qyc s GLY 96 Ca -0.03 2.10 -0.30 0.00 0.00 0.00 0.00 44.72 46.48 2qyc s GLY 96 CO 0.02 0.74 1.09 1.85 0.00 0.00 0.00 173.10 176.81 2qyc s GLU 97 N -1.84 4.47 0.15 2.90 2.12 -1.26 -0.94 118.70 124.30 2qyc s GLU 97 Ca 0.10 1.58 0.04 0.00 0.36 0.00 0.00 54.97 57.06 2qyc s GLU 97 Cb -0.01 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 2qyc s GLU 97 CO -0.04 -0.22 -0.09 0.14 -0.54 0.00 0.00 175.26 174.51 2qyc s VAL 98 N 1.34 1.16 0.59 3.70 -7.23 -1.26 -4.97 120.40 113.73 2qyc s VAL 98 Ca 0.55 -2.06 -0.20 0.00 -1.81 0.00 0.00 61.98 58.45 2qyc s VAL 98 Cb -0.24 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 2qyc s VAL 98 CO 0.26 -0.71 1.34 -2.84 -0.31 0.00 0.00 175.10 172.84 2qyc s PRO 99 N -3.76 2.89 0.63 4.82 0.02 -1.26 -4.41 135.00 133.94 2qyc s PRO 99 Ca 0.18 2.19 -0.15 0.00 0.02 0.00 0.00 61.00 63.23 2qyc s PRO 99 Cb 0.03 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 2qyc s PRO 99 CO 0.01 -1.37 1.08 0.00 -0.33 0.00 0.00 177.00 176.39 2qyc s ALA 100 N -1.33 2.62 0.00 -1.55 0.00 -1.26 -4.89 121.76 115.35 2qyc s ALA 100 Ca 0.76 0.42 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2qyc s ALA 100 Cb -0.40 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2qyc s ALA 100 CO 0.45 -1.05 0.00 0.44 0.00 0.00 0.00 175.76 175.60