#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 -4.02 2.61 -2.24 -1.26 -4.66 114.28 104.72 2qyc n THR 2 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 2qyc n THR 2 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 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 2.23 -0.00 4.78 5.36 -0.44 -4.56 117.98 125.35 2qyc s PHE 4 Ca 0.00 -1.31 -0.12 0.00 -0.96 0.00 0.00 56.93 54.53 2qyc s PHE 4 Cb 0.00 -1.61 -0.05 0.00 -0.34 0.00 0.00 43.02 41.01 2qyc s PHE 4 CO 0.00 -0.69 0.36 -1.17 -1.46 0.00 0.00 175.22 172.26 2qyc s LEU 5 N 1.46 4.44 -0.19 6.12 2.96 0.49 -0.95 118.68 133.02 2qyc s LEU 5 Ca 0.04 0.85 -0.04 0.00 -0.22 0.00 0.00 54.13 54.75 2qyc s LEU 5 Cb -0.14 -2.58 0.08 0.00 0.50 0.00 0.00 46.19 44.05 2qyc s LEU 5 CO -0.10 0.31 0.18 -2.28 -1.32 0.00 0.00 176.35 173.13 2qyc s HIS 6 N -1.13 -0.12 -0.12 5.38 5.65 -0.28 -1.57 115.29 123.09 2qyc s HIS 6 Ca 0.24 0.06 0.02 0.00 0.25 0.00 0.00 55.06 55.63 2qyc s HIS 6 Cb -0.15 -0.47 0.02 0.00 -1.18 0.00 0.00 32.58 30.79 2qyc s HIS 6 CO 0.13 -0.56 -0.16 0.08 -0.65 0.00 0.00 174.74 173.58 2qyc s VAL 7 N 2.26 1.63 0.52 0.89 1.01 0.56 -1.18 120.40 126.09 2qyc s VAL 7 Ca 0.05 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2qyc s VAL 7 Cb -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2qyc s VAL 7 CO -0.11 0.47 0.11 -0.69 0.00 0.00 0.00 175.10 174.87 2qyc s VAL 8 N 1.06 1.28 -0.09 2.92 1.01 0.28 -0.65 120.40 126.21 2qyc s VAL 8 Ca -0.04 -1.87 0.01 0.00 0.00 0.00 0.00 61.98 60.08 2qyc s VAL 8 Cb -0.15 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2qyc s VAL 8 CO -0.04 0.00 -0.12 -0.70 0.00 0.00 0.00 175.10 174.24 2qyc s GLU 11 N -3.98 2.95 0.22 2.72 2.12 0.17 -0.25 118.70 122.64 2qyc s GLU 11 Ca 0.13 -0.65 0.05 0.00 0.36 0.00 0.00 54.97 54.85 2qyc s GLU 11 Cb 0.01 -2.55 -0.03 0.00 0.26 0.00 0.00 34.13 31.82 2qyc s GLU 11 CO 0.07 0.46 0.33 -0.06 -0.54 0.00 0.00 175.26 175.52 2qyc s PHE 12 N -0.27 3.44 0.65 5.30 0.08 -1.26 -0.21 117.98 125.71 2qyc s PHE 12 Ca 0.02 0.01 -0.17 0.00 0.12 0.00 0.00 56.93 56.91 2qyc s PHE 12 Cb -0.13 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2qyc s PHE 12 CO 0.03 0.46 1.12 -0.25 -0.10 0.00 0.00 175.22 176.48 2qyc n ASP 13 N -1.18 1.29 0.20 1.36 8.00 0.16 -4.64 116.55 121.74 2qyc n ASP 13 Ca -0.08 0.78 0.04 0.00 0.71 0.00 0.00 54.79 56.23 2qyc n ASP 13 Cb 0.56 -1.47 0.41 0.00 -0.02 0.00 0.00 41.12 40.60 2qyc n ASP 13 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2qyc h ASP 14 N 0.30 0.00 -0.32 -2.24 3.32 -1.99 -3.20 116.42 112.29 2qyc h ASP 14 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2qyc h ASP 14 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 2qyc h ASP 14 CO 0.51 0.32 0.00 0.61 -1.72 0.00 0.00 179.24 178.96 2qyc n GLY 15 N -0.57 0.98 3.60 2.75 0.00 -1.26 -4.96 105.19 105.74 2qyc n GLY 15 Ca -0.02 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 2qyc n GLY 15 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qyc n ILE 16 N 0.45 2.33 -1.58 -0.61 -5.35 -1.21 -4.95 119.36 108.44 2qyc n ILE 16 Ca 0.12 -0.50 -0.30 0.00 -0.27 0.00 0.00 62.75 61.79 2qyc n ILE 16 Cb 0.39 -1.11 0.07 0.00 -1.74 0.00 0.00 39.64 37.24 2qyc n ILE 16 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2qyc s ASP 17 N -0.71 4.89 0.23 7.28 1.01 -1.26 -4.95 116.67 123.17 2qyc s ASP 17 Ca 0.62 1.42 -0.06 0.00 0.71 0.00 0.00 52.55 55.25 2qyc s ASP 17 Cb -0.58 -2.22 0.40 0.00 1.01 0.00 0.00 42.92 41.53 2qyc s ASP 17 CO 0.57 -1.73 1.74 0.00 0.21 0.00 0.00 175.17 175.96 2qyc h ALA 18 N -0.92 0.99 -0.47 5.23 0.00 -2.02 -1.93 119.26 120.14 2qyc h ALA 18 Ca -0.46 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2qyc h ALA 18 Cb 1.24 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2qyc h ALA 18 CO 0.58 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2qyc n GLY 19 N -1.32 2.07 0.28 0.00 0.00 -1.26 -4.60 105.19 100.37 2qyc n GLY 19 Ca 0.13 -0.62 0.04 0.00 0.00 0.00 0.00 46.02 45.56 2qyc n GLY 19 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qyc h PHE 20 N 2.98 -0.24 0.00 1.61 3.57 -1.71 -1.36 116.94 121.79 2qyc h PHE 20 Ca 0.00 0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 2qyc h PHE 20 Cb 1.17 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 2qyc h PHE 20 CO 0.59 -0.30 -0.39 0.74 -2.23 0.00 0.00 178.31 176.72 2qyc h PHE 21 N 0.04 0.00 -0.38 0.41 0.04 -1.84 -1.00 116.94 114.21 2qyc h PHE 21 Ca 0.40 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 61.02 2qyc h PHE 21 Cb 0.67 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 2qyc h PHE 21 CO -0.53 0.39 -0.35 -0.09 -0.60 0.00 0.00 178.31 177.14 2qyc h ARG 22 N 0.00 0.87 -0.62 1.51 2.43 -1.60 -2.02 114.38 114.94 2qyc h ARG 22 Ca -0.00 -0.43 -0.05 0.00 -0.81 0.00 0.00 59.98 58.68 2qyc h ARG 22 Cb 0.87 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 2qyc h ARG 22 CO 0.05 1.08 0.20 1.15 -1.51 0.00 0.00 179.97 180.94 2qyc h THR 23 N 0.72 1.25 -0.42 0.20 2.02 -0.91 -0.77 112.91 115.00 2qyc h THR 23 Ca 0.07 -0.83 0.08 0.00 0.77 0.00 0.00 66.41 66.50 2qyc h THR 23 Cb 0.92 0.61 -0.08 0.00 -1.74 0.00 0.00 68.15 67.85 2qyc h THR 23 CO 0.08 0.32 -0.10 0.58 0.37 0.00 0.00 175.52 176.77 2qyc h VAL 24 N 0.89 0.58 -0.49 3.16 2.07 -1.14 -0.67 116.25 120.66 2qyc h VAL 24 Ca 0.20 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 2qyc h VAL 24 Cb 0.28 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2qyc h VAL 24 CO -0.01 0.00 0.20 0.44 0.02 0.00 0.00 177.57 178.23 2qyc h ASP 25 N 0.01 0.63 0.00 0.57 3.32 -0.92 0.29 116.42 120.32 2qyc h ASP 25 Ca 0.20 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2qyc h ASP 25 Cb 0.31 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2qyc h ASP 25 CO -0.43 0.57 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.32 2qyc h GLU 26 N 0.70 -0.00 -0.87 3.56 5.08 -0.24 0.15 114.58 122.95 2qyc h GLU 26 Ca 0.17 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2qyc h GLU 26 Cb 0.13 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 2qyc h GLU 26 CO -0.02 0.22 0.56 1.88 -1.00 0.00 0.00 179.01 180.66 2qyc h TYR 27 N -0.23 1.06 -0.45 4.33 0.05 -0.85 -1.41 116.97 119.47 2qyc h TYR 27 Ca -0.00 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 2qyc h TYR 27 Cb 0.23 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 2qyc h TYR 27 CO 0.00 0.61 0.12 0.28 -1.05 0.00 0.00 178.16 178.12 2qyc h VAL 28 N 1.10 1.23 -0.37 -2.88 2.07 -0.85 -3.00 116.25 113.54 2qyc h VAL 28 Ca 0.35 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 67.08 2qyc h VAL 28 Cb 0.00 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2qyc h VAL 28 CO -0.12 0.28 0.22 0.00 0.02 0.00 0.00 177.57 177.98 2qyc h ALA 29 N 0.98 0.47 0.00 1.67 0.00 -0.60 0.24 119.26 122.01 2qyc h ALA 29 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qyc h ALA 29 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qyc h ALA 29 CO 0.00 -0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.67 2qyc n ARG 30 N -4.87 0.02 0.00 0.00 1.74 -0.56 -1.73 116.66 111.25 2qyc n ARG 30 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2qyc n ARG 30 Cb 0.05 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 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 0.83 0.00 0.12 5.56 5.02 0.07 -1.70 118.16 128.06 2qyc n LYS 32 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 2qyc n LYS 32 Cb 0.01 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.14 2qyc n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qyc h ARG 33 N 0.00 0.07 0.00 1.97 3.08 -1.60 -3.38 114.38 114.52 2qyc h ARG 33 Ca 0.00 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 59.78 2qyc h ARG 33 Cb 0.00 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 2qyc h ARG 33 CO 0.00 0.70 -1.96 0.39 -1.07 0.00 0.00 179.97 178.03 2qyc n GLU 34 N -3.78 1.30 -4.15 0.04 -0.58 -0.69 -5.00 120.64 107.78 2qyc n GLU 34 Ca -0.02 -0.04 -0.33 0.00 -0.42 0.00 0.00 57.16 56.35 2qyc n GLU 34 Cb 0.65 -1.39 -0.07 0.00 -0.57 0.00 0.00 31.44 30.06 2qyc n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qyc s ASP 36 N -1.60 5.79 -0.02 0.00 1.01 -1.26 -4.60 116.67 116.00 2qyc s ASP 36 Ca 0.21 -0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.33 2qyc s ASP 36 Cb -0.12 -1.55 0.00 0.00 1.01 0.00 0.00 42.92 42.26 2qyc s ASP 36 CO 0.12 -0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.05 2qyc n GLY 37 N -1.26 0.43 3.69 0.21 0.00 -1.26 -4.75 105.19 102.25 2qyc n GLY 37 Ca -0.08 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2qyc n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qyc s LEU 38 N -0.04 4.26 -0.11 0.99 1.43 -1.26 -2.56 118.68 121.39 2qyc s LEU 38 Ca 0.00 1.26 0.16 0.00 -1.03 0.00 0.00 54.13 54.52 2qyc s LEU 38 Cb 0.00 -3.24 -0.24 0.00 0.03 0.00 0.00 46.19 42.75 2qyc s LEU 38 CO 0.00 -0.27 0.40 0.18 0.23 0.00 0.00 176.35 176.89 2qyc n LEU 39 N 4.49 0.45 -3.68 1.79 4.77 0.26 -4.96 117.00 120.12 2qyc n LEU 39 Ca 0.03 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.07 2qyc n LEU 39 Cb 0.50 0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.82 2qyc n LEU 39 CO 0.48 0.41 0.19 -0.22 -1.33 0.00 0.00 177.39 176.92 2qyc s LEU 40 N -5.74 0.17 -0.24 2.23 2.96 -0.99 -4.91 118.68 112.16 2qyc s LEU 40 Ca -0.07 0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 54.39 2qyc s LEU 40 Cb 0.07 1.76 0.11 0.00 0.50 0.00 0.00 46.19 48.63 2qyc s LEU 40 CO 0.83 -0.37 0.51 -0.47 -1.32 0.00 0.00 176.35 175.54 2qyc s TYR 41 N -0.60 -1.02 -0.05 5.38 6.14 -1.25 -1.77 117.35 124.17 2qyc s TYR 41 Ca -0.07 1.86 -0.04 0.00 0.64 0.00 0.00 57.07 59.46 2qyc s TYR 41 Cb -0.03 0.51 0.02 0.00 0.42 0.00 0.00 41.96 42.88 2qyc s TYR 41 CO 0.04 -0.56 0.13 -1.58 0.64 0.00 0.00 175.55 174.22 2qyc s HIS 42 N 2.72 -0.14 -0.19 4.97 2.46 0.08 -4.98 115.29 120.21 2qyc s HIS 42 Ca -0.04 0.36 -0.03 0.00 0.47 0.00 0.00 55.06 55.83 2qyc s HIS 42 Cb -0.12 0.02 -0.01 0.00 -0.13 0.00 0.00 32.58 32.34 2qyc s HIS 42 CO -0.15 -0.08 -0.07 0.12 -2.47 0.00 0.00 174.74 172.08 2qyc s PHE 43 N 0.28 2.92 0.34 3.88 2.19 -1.26 -1.00 117.98 125.32 2qyc s PHE 43 Ca -0.02 -0.81 -0.16 0.00 0.33 0.00 0.00 56.93 56.27 2qyc s PHE 43 Cb -0.03 -2.01 0.04 0.00 -1.31 0.00 0.00 43.02 39.71 2qyc s PHE 43 CO -0.01 -0.41 0.72 0.20 1.83 0.00 0.00 175.22 177.55 2qyc s GLY 44 N 1.02 0.35 0.31 13.12 0.00 -0.74 -5.01 107.32 116.38 2qyc s GLY 44 Ca -0.00 -0.70 -0.28 0.00 0.00 0.00 0.00 44.72 43.73 2qyc s GLY 44 CO -0.01 -0.33 1.17 1.85 0.00 0.00 0.00 173.10 175.78 2qyc s GLU 45 N -2.95 4.46 -0.19 2.90 2.12 -1.26 -0.80 118.70 122.98 2qyc s GLU 45 Ca 0.16 1.92 -0.24 0.00 0.36 0.00 0.00 54.97 57.17 2qyc s GLU 45 Cb -0.05 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 2qyc s GLU 45 CO 0.11 0.01 0.78 1.21 -0.54 0.00 0.00 175.26 176.83 2qyc s ASN 46 N -0.82 6.85 0.00 -1.70 3.84 0.11 -4.79 114.94 118.43 2qyc s ASN 46 Ca 0.48 1.05 0.21 0.00 0.21 0.00 0.00 52.86 54.80 2qyc s ASN 46 Cb -0.34 -2.42 0.26 0.00 -0.55 0.00 0.00 41.25 38.20 2qyc s ASN 46 CO 0.44 -0.39 1.23 1.33 -2.79 0.00 0.00 177.10 176.92 2qyc n VAL 47 N 4.85 0.24 -2.28 -5.21 0.24 -1.26 -4.84 118.33 110.07 2qyc n VAL 47 Ca 0.03 -0.62 -0.38 0.00 -2.04 0.00 0.00 64.34 61.33 2qyc n VAL 47 Cb 0.49 1.21 -0.02 0.00 -1.47 0.00 0.00 33.84 34.05 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 -1.56 3.14 0.26 2.33 0.00 -1.26 -4.94 121.76 119.73 2qyc s ALA 48 Ca 0.29 0.97 0.05 0.00 0.00 0.00 0.00 51.96 53.27 2qyc s ALA 48 Cb 0.19 -3.38 0.34 0.00 0.00 0.00 0.00 23.12 20.26 2qyc s ALA 48 CO 0.27 -0.55 1.63 0.00 0.00 0.00 0.00 175.76 177.10 2qyc h ALA 49 N 2.57 0.97 -0.71 0.00 0.00 -2.03 -3.24 119.26 116.83 2qyc h ALA 49 Ca -0.49 -0.47 -0.55 0.00 0.00 0.00 0.00 54.91 53.40 2qyc h ALA 49 Cb 1.24 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.73 2qyc h ALA 49 CO 0.62 0.66 0.63 0.54 0.00 0.00 0.00 179.25 181.70 2qyc n ARG 50 N -3.96 2.38 0.21 0.00 1.74 -1.26 -4.54 116.66 111.24 2qyc n ARG 50 Ca -0.02 -2.58 0.12 0.00 -0.77 0.00 0.00 57.85 54.60 2qyc n ARG 50 Cb 0.54 -2.07 0.19 0.00 -1.02 0.00 0.00 32.46 30.10 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 2.42 0.00 -3.88 0.55 4.64 -1.90 -3.47 113.55 111.92 2qyc h SER 51 Ca 0.45 -0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.41 2qyc h SER 51 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2qyc h SER 51 CO 1.11 0.00 -0.49 0.00 -0.87 0.00 0.00 176.83 176.57 2qyc n GLN 52 N -3.04 -2.80 -0.96 4.77 1.13 -1.26 -1.80 117.38 113.43 2qyc n GLN 52 Ca 0.04 0.81 0.00 0.00 -1.94 0.00 0.00 57.00 55.91 2qyc n GLN 52 Cb 0.52 -5.51 0.00 0.00 0.11 0.00 0.00 30.24 25.37 2qyc n GLN 52 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qyc n GLY 53 N -1.09 0.71 3.46 1.08 0.00 -1.26 -4.98 105.19 103.10 2qyc n GLY 53 Ca -0.16 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 -2.78 2.67 -0.49 1.61 2.02 -0.74 -4.55 117.35 115.09 2qyc s TYR 54 Ca 0.00 -0.55 0.24 0.00 -0.37 0.00 0.00 57.07 56.38 2qyc s TYR 54 Cb 0.00 -4.30 0.44 0.00 -0.40 0.00 0.00 41.96 37.70 2qyc s TYR 54 CO 0.00 -1.66 1.65 1.79 -1.57 0.00 0.00 175.55 175.76 2qyc h THR 55 N 5.98 0.00 -3.89 -0.71 1.35 -1.91 -3.43 112.91 110.30 2qyc h THR 55 Ca -0.28 -0.89 -0.11 0.00 -0.55 0.00 0.00 66.41 64.58 2qyc h THR 55 Cb 1.07 1.89 -0.16 0.00 -1.73 0.00 0.00 68.15 69.22 2qyc h THR 55 CO 1.19 0.00 -0.49 -1.00 -0.25 0.00 0.00 175.52 174.97 2qyc s HIS 56 N -3.19 0.25 0.01 4.73 3.76 -1.26 0.04 115.29 119.63 2qyc s HIS 56 Ca 0.08 -0.65 -0.06 0.00 -0.15 0.00 0.00 55.06 54.27 2qyc s HIS 56 Cb 0.06 -0.16 -0.00 0.00 1.11 0.00 0.00 32.58 33.59 2qyc s HIS 56 CO 0.65 -0.44 0.11 0.00 -0.85 0.00 0.00 174.74 174.21 2qyc s ALA 57 N -3.42 -0.22 -0.14 -1.40 0.00 0.02 -4.73 121.76 111.86 2qyc s ALA 57 Ca 0.02 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 51.56 2qyc s ALA 57 Cb 0.03 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 2qyc s ALA 57 CO -0.08 -0.22 0.33 0.95 0.00 0.00 0.00 175.76 176.73 2qyc s THR 58 N -1.63 5.27 -0.04 0.00 -4.23 0.65 -1.79 115.64 113.89 2qyc s THR 58 Ca -0.13 0.63 0.06 0.00 -1.18 0.00 0.00 61.69 61.06 2qyc s THR 58 Cb -0.07 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 2qyc s THR 58 CO 0.00 0.39 -0.20 -0.94 -0.54 0.00 0.00 174.62 173.33 2qyc s SER 59 N 0.39 2.46 0.02 3.99 1.04 -0.17 -0.56 113.70 120.87 2qyc s SER 59 Ca 0.19 -0.40 -0.25 0.00 0.48 0.00 0.00 55.95 55.97 2qyc s SER 59 Cb -0.13 -0.52 0.06 0.00 0.10 0.00 0.00 66.02 65.52 2qyc s SER 59 CO 0.05 0.21 0.57 -0.94 0.98 0.00 0.00 173.24 174.12 2qyc s SER 60 N -0.21 -0.52 -0.04 7.02 1.04 -0.33 -0.74 113.70 119.92 2qyc s SER 60 Ca 0.01 0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.76 2qyc s SER 60 Cb -0.11 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.54 2qyc s SER 60 CO 0.01 -0.68 0.09 0.00 0.98 0.00 0.00 173.24 173.64 2qyc s ALA 61 N -2.03 -0.20 0.30 5.32 0.00 -0.73 -1.13 121.76 123.29 2qyc s ALA 61 Ca -0.07 0.34 0.11 0.00 0.00 0.00 0.00 51.96 52.33 2qyc s ALA 61 Cb -0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 2qyc s ALA 61 CO 0.02 -0.07 -0.15 -0.06 0.00 0.00 0.00 175.76 175.50 2qyc s PHE 62 N 0.34 2.35 0.30 0.00 0.40 -0.12 0.92 117.98 122.18 2qyc s PHE 62 Ca -0.02 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 2qyc s PHE 62 Cb -0.04 -1.14 0.53 0.00 0.51 0.00 0.00 43.02 42.88 2qyc s PHE 62 CO -0.01 0.66 1.92 0.28 0.70 0.00 0.00 175.22 178.77 2qyc h VAL 63 N 2.16 1.08 -2.67 -0.44 2.07 -1.81 -1.17 116.25 115.47 2qyc h VAL 63 Ca -0.41 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 66.87 2qyc h VAL 63 Cb 1.26 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2qyc h VAL 63 CO 0.63 0.19 0.51 1.51 0.02 0.00 0.00 177.57 180.43 2qyc s ASP 64 N -6.06 0.02 0.31 0.57 1.47 -1.26 -4.33 116.67 107.37 2qyc s ASP 64 Ca -0.11 -0.81 -0.00 0.00 1.18 0.00 0.00 52.55 52.80 2qyc s ASP 64 Cb 0.20 0.59 0.51 0.00 -0.34 0.00 0.00 42.92 43.87 2qyc s ASP 64 CO 0.80 -1.18 1.94 0.00 0.68 0.00 0.00 175.17 177.41 2qyc h ALA 65 N 2.00 1.48 -0.76 2.11 0.00 -1.95 -2.06 119.26 120.09 2qyc h ALA 65 Ca -0.29 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2qyc h ALA 65 Cb 1.23 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2qyc h ALA 65 CO 0.38 0.43 0.50 0.00 0.00 0.00 0.00 179.25 180.56 2qyc h ALA 66 N 1.51 1.55 -0.27 0.00 0.00 -1.98 0.14 119.26 120.21 2qyc h ALA 66 Ca 0.34 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 2qyc h ALA 66 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2qyc h ALA 66 CO -0.10 0.37 -0.53 0.00 0.00 0.00 0.00 179.25 178.99 2qyc h ALA 67 N 1.56 0.42 -0.76 0.00 0.00 -1.76 -1.30 119.26 117.42 2qyc h ALA 67 Ca 0.30 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2qyc h ALA 67 Cb 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2qyc h ALA 67 CO -0.09 0.63 0.50 1.25 0.00 0.00 0.00 179.25 181.54 2qyc h HIS 68 N 0.60 0.95 -1.00 0.00 -0.00 -1.14 -2.01 115.15 112.54 2qyc h HIS 68 Ca 0.01 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.48 2qyc h HIS 68 Cb 1.14 -0.32 -0.07 0.00 -0.00 0.00 0.00 27.41 28.16 2qyc h HIS 68 CO 0.08 0.59 0.64 -0.44 -0.00 0.00 0.00 177.93 178.80 2qyc h ASP 69 N 1.02 1.00 -0.07 3.26 3.32 -0.47 -1.55 116.42 122.93 2qyc h ASP 69 Ca 0.28 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.17 2qyc h ASP 69 Cb -0.10 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 2qyc h ASP 69 CO -0.07 0.62 -0.60 0.00 -1.72 0.00 0.00 179.24 177.46 2qyc h ALA 70 N 1.48 0.55 -0.52 3.45 0.00 -1.06 -3.12 119.26 120.04 2qyc h ALA 70 Ca 0.45 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2qyc h ALA 70 Cb 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2qyc h ALA 70 CO -0.19 0.69 0.30 -0.92 0.00 0.00 0.00 179.25 179.13 2qyc h TYR 71 N 0.50 0.56 -0.90 0.00 3.20 -0.98 -2.25 116.97 117.10 2qyc h TYR 71 Ca -0.00 0.02 0.24 0.00 3.14 0.00 0.00 58.73 62.12 2qyc h TYR 71 Cb 1.19 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 39.23 2qyc h TYR 71 CO 0.06 0.31 0.62 1.96 -1.64 0.00 0.00 178.16 179.47 2qyc h GLN 72 N 0.59 0.16 -0.40 1.82 4.20 -1.23 -0.85 115.11 119.40 2qyc h GLN 72 Ca 0.21 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2qyc h GLN 72 Cb 0.05 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2qyc h GLN 72 CO -0.11 0.11 0.00 1.33 -0.67 0.00 0.00 178.83 179.49 2qyc n VAL 73 N -4.38 0.77 -2.09 -0.54 0.24 -1.02 -4.62 118.33 106.68 2qyc n VAL 73 Ca 0.19 -0.88 -0.42 0.00 -2.04 0.00 0.00 64.34 61.18 2qyc n VAL 73 Cb 0.86 0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 33.90 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 8.44 0.86 0.00 0.00 0.11 -1.92 0.21 132.00 139.70 2qyc h PRO 75 Ca -0.39 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 2qyc h PRO 75 Cb 1.18 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2qyc h PRO 75 CO 0.93 0.57 -0.26 0.00 -0.21 0.00 0.00 178.00 179.03 2qyc h ALA 76 N 1.53 1.41 -0.23 -0.75 0.00 -1.94 -1.07 119.26 118.20 2qyc h ALA 76 Ca 0.48 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 2qyc h ALA 76 Cb 0.52 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2qyc h ALA 76 CO -0.28 0.32 -0.33 1.25 0.00 0.00 0.00 179.25 180.21 2qyc h HIS 77 N 0.00 0.78 -0.90 0.00 -0.00 -0.95 -3.24 115.15 110.83 2qyc h HIS 77 Ca -0.00 -0.26 -0.00 0.00 -0.00 0.00 0.00 60.37 60.11 2qyc h HIS 77 Cb 0.51 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.72 2qyc h HIS 77 CO 0.00 1.00 0.55 0.28 -0.00 0.00 0.00 177.93 179.76 2qyc h VAL 78 N 0.34 1.25 0.00 5.26 2.07 -0.59 -1.60 116.25 122.97 2qyc h VAL 78 Ca 0.03 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2qyc h VAL 78 Cb 0.91 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2qyc h VAL 78 CO 0.08 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.92 2qyc n ALA 79 N -2.37 1.61 0.00 1.67 0.00 -0.45 -1.19 120.51 119.77 2qyc n ALA 79 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2qyc n ALA 79 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2qyc n ALA 79 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qyc n LYS 81 N 0.87 0.00 -0.08 0.00 0.00 -0.60 -1.73 118.16 116.63 2qyc n LYS 81 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 2qyc n LYS 81 Cb 0.07 0.00 0.34 0.00 -0.00 0.00 0.00 35.03 35.44 2qyc n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qyc h ALA 82 N 0.00 1.55 0.00 0.58 0.00 -1.43 0.28 119.26 120.25 2qyc h ALA 82 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qyc h ALA 82 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2qyc h ALA 82 CO 0.00 0.38 0.00 0.34 0.00 0.00 0.00 179.25 179.97 2qyc n PHE 83 N -4.42 0.00 0.00 0.00 7.35 -0.70 -4.54 117.46 115.15 2qyc n PHE 83 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 2qyc n PHE 83 Cb 0.09 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 39.91 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 0.24 0.00 0.00 7.13 0.00 0.09 -4.49 105.19 108.16 2qyc n GLY 85 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2qyc n GLY 85 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qyc n PRO 86 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -1.57 135.00 133.76 2qyc n PRO 86 Ca 0.00 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 2qyc n PRO 86 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 2qyc n PRO 86 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qyc n ARG 87 N -1.50 1.07 -3.26 -0.52 3.00 -1.26 -4.92 116.66 109.28 2qyc n ARG 87 Ca 0.01 -0.86 -0.39 0.00 -0.01 0.00 0.00 57.85 56.60 2qyc n ARG 87 Cb 0.06 -1.47 -0.07 0.00 0.00 0.00 0.00 32.46 30.97 2qyc n ARG 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2qyc s ILE 88 N -2.53 5.10 -0.11 0.55 1.01 -0.61 -0.67 121.20 123.96 2qyc s ILE 88 Ca 0.17 0.90 -0.15 0.00 0.00 0.00 0.00 60.65 61.57 2qyc s ILE 88 Cb 0.18 -3.83 -0.27 0.00 0.01 0.00 0.00 42.46 38.55 2qyc s ILE 88 CO 0.61 0.15 0.53 0.50 0.00 0.00 0.00 174.94 176.72 2qyc h LYS 89 N 7.67 0.25 -3.38 2.79 3.64 -0.85 -3.46 116.57 123.23 2qyc h LYS 89 Ca -0.32 -0.42 -0.16 0.00 -1.27 0.00 0.00 60.65 58.48 2qyc h LYS 89 Cb 1.15 0.16 -0.24 0.00 -0.41 0.00 0.00 32.23 32.89 2qyc h LYS 89 CO 0.73 1.20 -0.49 1.03 -2.27 0.00 0.00 179.45 179.65 2qyc s ARG 90 N -2.49 0.34 -0.02 1.90 1.81 -0.97 -4.99 118.95 114.52 2qyc s ARG 90 Ca -0.20 -0.03 -0.04 0.00 -1.72 0.00 0.00 55.73 53.74 2qyc s ARG 90 Cb 0.05 0.15 0.00 0.00 -0.45 0.00 0.00 34.95 34.70 2qyc s ARG 90 CO 0.76 -0.07 0.09 0.54 -0.68 0.00 0.00 175.30 175.95 2qyc s VAL 91 N -0.56 0.03 -0.00 3.52 0.11 -1.26 -0.66 120.40 121.57 2qyc s VAL 91 Ca -0.07 -0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 58.72 2qyc s VAL 91 Cb -0.04 -0.21 -0.00 0.00 -1.53 0.00 0.00 36.38 34.59 2qyc s VAL 91 CO 0.01 -0.13 0.03 0.54 -3.33 0.00 0.00 175.10 172.21 2qyc s VAL 92 N -0.41 0.04 -0.03 2.04 0.11 -1.26 -5.08 120.40 115.82 2qyc s VAL 92 Ca -0.05 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.68 2qyc s VAL 92 Cb -0.03 -0.17 -0.01 0.00 -1.53 0.00 0.00 36.38 34.64 2qyc s VAL 92 CO 0.00 -0.20 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.72 2qyc s VAL 93 N -0.61 1.28 -0.20 2.04 1.01 -1.26 -4.43 120.40 118.23 2qyc s VAL 93 Ca -0.07 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2qyc s VAL 93 Cb -0.04 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.26 2qyc s VAL 93 CO -0.00 0.37 -0.13 -0.47 0.00 0.00 0.00 175.10 174.87 2qyc s TYR 94 N -0.16 2.86 0.03 5.22 5.04 0.18 -5.00 117.35 125.52 2qyc s TYR 94 Ca 0.01 -1.32 0.07 0.00 -2.44 0.00 0.00 57.07 53.40 2qyc s TYR 94 Cb -0.08 -2.00 -0.03 0.00 0.35 0.00 0.00 41.96 40.20 2qyc s TYR 94 CO 0.01 -0.68 -0.19 -0.51 -1.34 0.00 0.00 175.55 172.83 2qyc s ASP 95 N 1.36 3.69 -0.21 4.32 1.01 -1.26 -0.32 116.67 125.25 2qyc s ASP 95 Ca 0.05 -0.43 -0.30 0.00 0.71 0.00 0.00 52.55 52.58 2qyc s ASP 95 Cb -0.14 -0.57 0.16 0.00 1.01 0.00 0.00 42.92 43.38 2qyc s ASP 95 CO -0.08 0.27 1.18 -0.83 0.21 0.00 0.00 175.17 175.91 2qyc s GLY 96 N -1.30 -0.12 0.04 0.21 0.00 -0.61 -5.00 107.32 100.55 2qyc s GLY 96 Ca 0.14 2.30 -0.29 0.00 0.00 0.00 0.00 44.72 46.87 2qyc s GLY 96 CO 0.04 0.98 0.92 1.85 0.00 0.00 0.00 173.10 176.89 2qyc s GLU 97 N -1.28 4.60 0.11 2.90 2.56 -1.26 -0.38 118.70 125.95 2qyc s GLU 97 Ca 0.04 1.34 -0.01 0.00 0.00 0.00 0.00 54.97 56.34 2qyc s GLU 97 Cb -0.01 -3.41 -0.04 0.00 2.00 0.00 0.00 34.13 32.67 2qyc s GLU 97 CO -0.04 0.11 0.03 0.14 -0.56 0.00 0.00 175.26 174.95 2qyc s VAL 98 N 0.44 0.15 0.31 3.70 -7.23 -1.26 -4.94 120.40 111.58 2qyc s VAL 98 Ca 0.47 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 58.46 2qyc s VAL 98 Cb -0.22 -1.92 -0.12 0.00 0.56 0.00 0.00 36.38 34.68 2qyc s VAL 98 CO 0.27 -0.60 1.44 -2.65 -0.31 0.00 0.00 175.10 173.25 2qyc n PRO 99 N -0.05 2.37 -1.65 4.82 -0.02 -1.26 -4.31 135.00 134.91 2qyc n PRO 99 Ca -0.08 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 61.89 2qyc n PRO 99 Cb 0.63 -2.52 0.07 0.00 -0.02 0.00 0.00 33.50 31.66 2qyc n PRO 99 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qyc s ALA 100 N -0.58 2.29 -2.66 3.55 0.00 -1.26 -4.87 121.76 118.23 2qyc s ALA 100 Ca 0.60 0.92 0.21 0.00 0.00 0.00 0.00 51.96 53.69 2qyc s ALA 100 Cb -0.55 -3.46 0.17 0.00 0.00 0.00 0.00 23.12 19.28 2qyc s ALA 100 CO 0.56 -1.60 1.17 -0.89 0.00 0.00 0.00 175.76 175.00