#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgc s LEU 12 N 0.00 1.03 0.00 1.53 2.96 -1.26 -0.37 118.68 122.57 2qgc s LEU 12 Ca 0.00 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 53.81 2qgc s LEU 12 Cb 0.00 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.14 2qgc s LEU 12 CO 0.00 -0.12 -0.15 -0.32 -1.32 0.00 0.00 176.35 174.44 2qgc s MET 13 N 1.46 1.17 -0.08 1.98 1.75 -0.03 -4.44 119.30 121.11 2qgc s MET 13 Ca -0.02 -0.59 0.05 0.00 -1.25 0.00 0.00 55.69 53.87 2qgc s MET 13 Cb -0.13 -1.15 -0.00 0.00 2.84 0.00 0.00 34.83 36.38 2qgc s MET 13 CO -0.03 0.31 -0.24 0.08 -0.65 0.00 0.00 175.02 174.49 2qgc s VAL 14 N -0.46 2.04 -0.07 10.11 1.01 -1.00 -0.85 120.40 131.18 2qgc s VAL 14 Ca 0.05 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.03 2qgc s VAL 14 Cb -0.06 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.58 2qgc s VAL 14 CO -0.00 0.56 -0.15 -0.75 0.00 0.00 0.00 175.10 174.76 2qgc s LYS 15 N 0.15 2.01 -0.07 2.72 2.20 -0.15 -0.88 119.74 125.72 2qgc s LYS 15 Ca -0.13 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 54.99 2qgc s LYS 15 Cb -0.16 -1.62 0.01 0.00 -1.51 0.00 0.00 37.83 34.55 2qgc s LYS 15 CO 0.07 0.06 -0.14 0.08 -0.36 0.00 0.00 175.35 175.06 2qgc s VAL 16 N 0.61 1.26 0.14 4.02 1.01 0.24 -0.85 120.40 126.83 2qgc s VAL 16 Ca -0.15 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.37 2qgc s VAL 16 Cb -0.16 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2qgc s VAL 16 CO 0.05 0.38 -0.22 -0.76 0.00 0.00 0.00 175.10 174.55 2qgc s LEU 17 N 0.62 2.37 -0.26 3.92 1.43 0.13 -1.08 118.68 125.79 2qgc s LEU 17 Ca -0.15 -0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 52.13 2qgc s LEU 17 Cb -0.16 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.09 2qgc s LEU 17 CO 0.04 0.06 0.01 -0.62 0.23 0.00 0.00 176.35 176.07 2qgc s ASP 18 N -2.29 4.69 0.06 2.29 -1.08 0.34 -0.72 116.67 119.95 2qgc s ASP 18 Ca 0.13 -0.72 0.27 0.00 -0.52 0.00 0.00 52.55 51.71 2qgc s ASP 18 Cb -0.08 -1.77 0.96 0.00 -1.46 0.00 0.00 42.92 40.56 2qgc s ASP 18 CO 0.06 -0.14 1.77 0.00 0.52 0.00 0.00 175.17 177.38 2qgc n ALA 19 N 4.78 2.55 -0.01 3.66 0.00 -0.06 -1.28 120.51 130.15 2qgc n ALA 19 Ca -0.16 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 52.95 2qgc n ALA 19 Cb 0.48 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 2qgc n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qgc h VAL 20 N 0.00 1.20 0.00 0.00 2.07 -1.95 -3.39 116.25 114.19 2qgc h VAL 20 Ca 0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2qgc h VAL 20 Cb 0.58 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 2qgc h VAL 20 CO 0.00 0.63 -1.09 0.54 0.02 0.00 0.00 177.57 177.67 2qgc n ARG 21 N -4.13 0.14 -2.84 1.57 1.74 -1.25 -5.01 116.66 106.88 2qgc n ARG 21 Ca -0.22 -0.03 -0.11 0.00 -0.77 0.00 0.00 57.85 56.72 2qgc n ARG 21 Cb 0.79 -1.52 0.05 0.00 -1.02 0.00 0.00 32.46 30.77 2qgc n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qgc n GLY 22 N 1.45 -0.18 3.45 -0.13 0.00 -0.40 -5.03 105.19 104.34 2qgc n GLY 22 Ca 0.03 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2qgc n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qgc s SER 23 N -3.69 -0.11 0.67 1.61 1.04 -1.02 -5.00 113.70 107.20 2qgc s SER 23 Ca 0.09 -0.69 -0.17 0.00 0.48 0.00 0.00 55.95 55.65 2qgc s SER 23 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2qgc s SER 23 CO 0.47 -0.99 1.28 -2.65 0.98 0.00 0.00 173.24 172.33 2qgc n PRO 24 N -0.29 0.97 -3.19 4.02 -0.02 -1.26 -0.51 135.00 134.72 2qgc n PRO 24 Ca -0.08 0.39 -0.44 0.00 -2.02 0.00 0.00 63.50 61.35 2qgc n PRO 24 Cb 0.63 -2.51 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 2qgc n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qgc s ALA 25 N -1.50 3.41 0.06 3.55 0.00 -0.24 -4.56 121.76 122.47 2qgc s ALA 25 Ca 0.81 -1.77 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 2qgc s ALA 25 Cb -0.37 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2qgc s ALA 25 CO 0.42 -1.95 0.35 0.42 0.00 0.00 0.00 175.76 175.00 2qgc s ILE 26 N 2.48 5.17 -1.47 0.00 1.01 -1.26 -4.32 121.20 122.80 2qgc s ILE 26 Ca 0.14 0.33 -0.03 0.00 0.00 0.00 0.00 60.65 61.10 2qgc s ILE 26 Cb -0.20 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2qgc s ILE 26 CO 0.11 0.31 0.34 0.59 0.00 0.00 0.00 174.94 176.29 2qgc n ASN 27 N 0.95 -5.56 -4.70 3.58 3.02 -0.35 -4.94 115.26 107.26 2qgc n ASN 27 Ca -0.09 -0.16 -0.40 0.00 -0.03 0.00 0.00 54.58 53.90 2qgc n ASN 27 Cb 0.52 -4.48 -0.05 0.00 -0.61 0.00 0.00 39.78 35.16 2qgc n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qgc s VAL 28 N -3.04 5.05 0.22 2.41 1.01 -1.26 -4.75 120.40 120.04 2qgc s VAL 28 Ca 0.17 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.19 2qgc s VAL 28 Cb -0.07 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 2qgc s VAL 28 CO 0.21 0.22 1.14 0.00 0.00 0.00 0.00 175.10 176.66 2qgc s ALA 29 N 1.11 3.41 -0.06 5.51 0.00 -1.26 -1.06 121.76 129.41 2qgc s ALA 29 Ca 0.34 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.21 2qgc s ALA 29 Cb -0.17 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.60 2qgc s ALA 29 CO 0.15 -0.27 -0.06 0.08 0.00 0.00 0.00 175.76 175.66 2qgc s VAL 30 N -0.49 0.73 -0.08 0.00 1.01 -0.19 -0.74 120.40 120.63 2qgc s VAL 30 Ca 0.49 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.31 2qgc s VAL 30 Cb -0.32 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 2qgc s VAL 30 CO 0.38 0.28 -0.24 -1.00 0.00 0.00 0.00 175.10 174.52 2qgc s HIS 31 N 1.05 2.48 -0.10 5.22 3.76 -0.12 -1.51 115.29 126.07 2qgc s HIS 31 Ca -0.08 -0.91 -0.01 0.00 -0.15 0.00 0.00 55.06 53.91 2qgc s HIS 31 Cb -0.14 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 2qgc s HIS 31 CO -0.00 -0.34 -0.06 0.08 -0.85 0.00 0.00 174.74 173.56 2qgc s VAL 32 N 0.15 3.73 0.13 -0.90 1.01 0.13 0.11 120.40 124.75 2qgc s VAL 32 Ca -0.13 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.47 2qgc s VAL 32 Cb -0.16 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2qgc s VAL 32 CO 0.07 0.57 -0.17 -0.36 0.00 0.00 0.00 175.10 175.21 2qgc s PHE 33 N -0.41 1.58 -0.02 5.22 0.40 0.29 -0.68 117.98 124.36 2qgc s PHE 33 Ca 0.06 -0.49 0.07 0.00 -0.60 0.00 0.00 56.93 55.97 2qgc s PHE 33 Cb -0.12 -0.83 -0.02 0.00 0.51 0.00 0.00 43.02 42.56 2qgc s PHE 33 CO 0.02 0.20 -0.23 0.50 0.70 0.00 0.00 175.22 176.41 2qgc s ARG 34 N -2.48 1.94 0.02 0.44 3.52 0.09 -1.05 118.95 121.43 2qgc s ARG 34 Ca 0.09 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 54.56 2qgc s ARG 34 Cb -0.07 -1.84 -0.05 0.00 -1.56 0.00 0.00 34.95 31.44 2qgc s ARG 34 CO 0.04 0.48 1.20 0.21 -0.81 0.00 0.00 175.30 176.42 2qgc s LYS 35 N -0.48 4.40 0.67 5.12 2.20 0.09 -0.81 119.74 130.93 2qgc s LYS 35 Ca 0.07 1.73 -0.05 0.00 -0.36 0.00 0.00 55.97 57.36 2qgc s LYS 35 Cb -0.09 -3.43 0.06 0.00 -1.51 0.00 0.00 37.83 32.85 2qgc s LYS 35 CO -0.00 -0.33 0.97 0.00 -0.36 0.00 0.00 175.35 175.63 2qgc s ALA 36 N 1.52 3.30 0.46 3.13 0.00 -0.08 -4.75 121.76 125.33 2qgc s ALA 36 Ca 0.58 -1.00 0.15 0.00 0.00 0.00 0.00 51.96 51.69 2qgc s ALA 36 Cb -0.28 -2.50 1.10 0.00 0.00 0.00 0.00 23.12 21.44 2qgc s ALA 36 CO 0.27 -1.19 2.04 0.00 0.00 0.00 0.00 175.76 176.87 2qgc h ALA 37 N -0.47 2.02 -0.29 0.00 0.00 -1.95 -0.82 119.26 117.75 2qgc h ALA 37 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qgc h ALA 37 Cb 1.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qgc h ALA 37 CO 0.59 -0.11 0.00 -0.40 0.00 0.00 0.00 179.25 179.33 2qgc n ASP 38 N -4.47 1.65 0.00 0.00 5.75 -1.26 -4.91 116.55 113.31 2qgc n ASP 38 Ca 0.06 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 2qgc n ASP 38 Cb 0.28 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2qgc n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2qgc n ASP 39 N 0.39 -2.28 -4.90 -1.12 8.00 -0.31 -5.03 116.55 111.28 2qgc n ASP 39 Ca 0.11 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.34 2qgc n ASP 39 Cb 0.27 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 2qgc n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2qgc s THR 40 N -2.44 4.74 -0.39 -3.53 -4.23 -1.26 -4.80 115.64 103.74 2qgc s THR 40 Ca 0.00 0.23 -0.20 0.00 -1.18 0.00 0.00 61.69 60.55 2qgc s THR 40 Cb 0.00 -3.82 0.01 0.00 1.34 0.00 0.00 72.50 70.03 2qgc s THR 40 CO 0.00 -0.83 0.58 0.26 -0.54 0.00 0.00 174.62 174.09 2qgc s TRP 41 N -2.81 3.13 -0.14 3.99 0.52 -1.26 -0.91 118.94 121.47 2qgc s TRP 41 Ca 0.49 0.11 -0.15 0.00 0.02 0.00 0.00 56.10 56.56 2qgc s TRP 41 Cb -0.10 -3.12 -0.05 0.00 -1.15 0.00 0.00 33.47 29.05 2qgc s TRP 41 CO 0.46 -0.68 0.36 -1.83 0.02 0.00 0.00 176.95 175.28 2qgc s GLU 42 N 2.60 4.27 0.24 4.98 -1.05 0.01 -4.88 118.70 124.86 2qgc s GLU 42 Ca 0.21 0.24 -0.30 0.00 -0.15 0.00 0.00 54.97 54.97 2qgc s GLU 42 Cb -0.15 -3.42 -0.14 0.00 -0.44 0.00 0.00 34.13 29.98 2qgc s GLU 42 CO 0.16 0.23 1.14 -2.30 0.95 0.00 0.00 175.26 175.43 2qgc n PRO 43 N 3.52 1.42 0.00 -4.83 -0.02 -1.26 -0.73 135.00 133.09 2qgc n PRO 43 Ca -0.10 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2qgc n PRO 43 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2qgc n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qgc n PHE 44 N 0.94 0.00 -3.53 6.00 7.35 0.15 -4.77 117.46 123.60 2qgc n PHE 44 Ca 0.12 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.65 2qgc n PHE 44 Cb 0.29 0.10 -0.06 0.00 0.35 0.00 0.00 39.48 40.17 2qgc n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qgc s ALA 45 N -1.93 -1.80 0.23 3.13 0.00 -0.99 -5.01 121.76 115.40 2qgc s ALA 45 Ca 0.00 1.33 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 2qgc s ALA 45 Cb 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.05 2qgc s ALA 45 CO 0.00 -0.38 0.62 -1.54 0.00 0.00 0.00 175.76 174.45 2qgc s SER 46 N -1.28 -0.29 0.00 0.00 1.04 -1.26 0.19 113.70 112.10 2qgc s SER 46 Ca -0.08 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2qgc s SER 46 Cb -0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2qgc s SER 46 CO 0.07 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.71 2qgc n GLY 47 N -0.41 -1.25 3.26 7.32 0.00 -0.57 -4.99 105.19 108.55 2qgc n GLY 47 Ca -0.07 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 2qgc n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qgc s LYS 48 N -0.50 1.99 0.59 1.61 -0.14 -1.26 -1.02 119.74 121.01 2qgc s LYS 48 Ca 0.00 -0.84 -0.20 0.00 -1.36 0.00 0.00 55.97 53.57 2qgc s LYS 48 Cb 0.00 -1.87 -0.03 0.00 -1.68 0.00 0.00 37.83 34.24 2qgc s LYS 48 CO 0.00 0.47 1.29 0.95 -0.76 0.00 0.00 175.35 177.31 2qgc s THR 49 N -0.46 2.23 0.77 2.17 -4.23 -0.22 -4.80 115.64 111.10 2qgc s THR 49 Ca 0.07 0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.60 2qgc s THR 49 Cb -0.10 -3.07 0.18 0.00 1.34 0.00 0.00 72.50 70.85 2qgc s THR 49 CO -0.00 -0.02 1.05 -1.54 -0.54 0.00 0.00 174.62 173.57 2qgc n SER 50 N -1.42 0.10 0.32 3.99 3.41 0.19 -1.21 113.62 119.00 2qgc n SER 50 Ca 0.13 -1.39 0.22 0.00 -0.26 0.00 0.00 58.87 57.56 2qgc n SER 50 Cb 0.47 -0.80 1.16 0.00 -0.26 0.00 0.00 64.21 64.79 2qgc n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2qgc h GLU 51 N 0.00 0.00 -0.41 4.33 4.39 -1.94 0.78 114.58 121.73 2qgc h GLU 51 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2qgc h GLU 51 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2qgc h GLU 51 CO 0.24 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.96 2qgc n SER 52 N -2.99 2.79 -0.14 1.42 3.41 -1.26 -4.81 113.62 112.04 2qgc n SER 52 Ca -0.03 -1.93 -0.02 0.00 -0.26 0.00 0.00 58.87 56.63 2qgc n SER 52 Cb 0.07 -0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 63.74 2qgc n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qgc n GLY 53 N 1.36 0.54 3.50 5.00 0.00 0.27 -4.79 105.19 111.05 2qgc n GLY 53 Ca 0.18 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 2qgc n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qgc s GLU 54 N -1.33 1.82 -0.19 1.61 2.02 -1.26 -0.59 118.70 120.78 2qgc s GLU 54 Ca 0.00 -1.16 -0.01 0.00 0.02 0.00 0.00 54.97 53.81 2qgc s GLU 54 Cb 0.00 -2.14 0.05 0.00 0.10 0.00 0.00 34.13 32.15 2qgc s GLU 54 CO 0.00 0.48 -0.01 -1.17 0.02 0.00 0.00 175.26 174.59 2qgc s LEU 55 N -2.16 1.56 0.35 1.80 2.96 -0.06 -0.64 118.68 122.49 2qgc s LEU 55 Ca 0.18 -0.82 0.08 0.00 -0.22 0.00 0.00 54.13 53.36 2qgc s LEU 55 Cb -0.11 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 2qgc s LEU 55 CO 0.11 -0.25 0.19 -1.00 -1.32 0.00 0.00 176.35 174.07 2qgc s HIS 56 N 1.71 2.74 -0.08 5.38 3.76 -1.26 -2.37 115.29 125.17 2qgc s HIS 56 Ca -0.01 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 2qgc s HIS 56 Cb -0.17 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.80 2qgc s HIS 56 CO -0.07 0.27 0.00 0.41 -0.85 0.00 0.00 174.74 174.50 2qgc n GLY 57 N -1.22 0.47 0.27 -2.22 0.00 -1.26 -4.92 105.19 96.30 2qgc n GLY 57 Ca -0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 46.02 45.33 2qgc n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qgc h LEU 58 N 0.00 0.66 0.00 0.99 3.38 -1.85 -3.47 115.31 115.01 2qgc h LEU 58 Ca -0.02 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 2qgc h LEU 58 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2qgc h LEU 58 CO 0.02 0.81 0.03 1.07 0.09 0.00 0.00 178.44 180.46 2qgc n THR 59 N -4.17 0.00 -4.38 0.22 5.66 -1.26 -4.78 114.28 105.57 2qgc n THR 59 Ca 0.01 -1.04 -0.19 0.00 -3.05 0.00 0.00 64.05 59.78 2qgc n THR 59 Cb 0.35 0.77 -0.10 0.00 -1.55 0.00 0.00 70.33 69.80 2qgc n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2qgc s THR 60 N -2.55 1.55 0.30 1.09 -4.23 -1.26 -4.52 115.64 106.02 2qgc s THR 60 Ca 0.17 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 2qgc s THR 60 Cb -0.02 -2.27 0.28 0.00 1.34 0.00 0.00 72.50 71.83 2qgc s THR 60 CO 0.12 -0.42 1.89 -0.33 -0.54 0.00 0.00 174.62 175.34 2qgc h GLU 61 N 2.43 1.00 -0.57 3.99 5.08 -2.00 -1.59 114.58 122.92 2qgc h GLU 61 Ca -0.39 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 2qgc h GLU 61 Cb 1.23 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2qgc h GLU 61 CO 0.65 0.66 0.19 1.49 -1.00 0.00 0.00 179.01 181.00 2qgc h GLU 62 N 1.03 0.88 0.00 2.33 4.57 -2.04 -3.12 114.58 118.22 2qgc h GLU 62 Ca 0.41 -0.18 -0.15 0.00 -1.18 0.00 0.00 59.36 58.27 2qgc h GLU 62 Cb 0.26 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2qgc h GLU 62 CO -0.17 0.78 -0.70 0.93 -1.18 0.00 0.00 179.01 178.67 2qgc h GLU 63 N 0.79 0.00 -3.53 1.92 5.08 -1.87 -3.39 114.58 113.58 2qgc h GLU 63 Ca 0.19 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.79 2qgc h GLU 63 Cb 0.26 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.35 2qgc h GLU 63 CO -0.01 0.69 1.95 0.34 -1.00 0.00 0.00 179.01 180.98 2qgc n PHE 64 N -3.27 3.00 -1.87 4.33 7.35 -0.64 -4.95 117.46 121.41 2qgc n PHE 64 Ca 0.01 -2.81 -0.30 0.00 -0.76 0.00 0.00 57.45 53.60 2qgc n PHE 64 Cb 0.82 -1.93 0.06 0.00 0.35 0.00 0.00 39.48 38.78 2qgc n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2qgc s VAL 65 N 0.30 3.03 0.50 -2.13 -7.23 -1.26 -4.96 120.40 108.66 2qgc s VAL 65 Ca 0.39 0.34 -0.23 0.00 -1.81 0.00 0.00 61.98 60.67 2qgc s VAL 65 Cb 0.09 -3.32 -0.07 0.00 0.56 0.00 0.00 36.38 33.64 2qgc s VAL 65 CO 0.01 -0.44 1.27 -0.62 -0.31 0.00 0.00 175.10 175.01 2qgc n GLU 66 N -3.13 1.69 -3.91 4.82 1.02 -1.26 -4.85 120.64 115.02 2qgc n GLU 66 Ca 0.07 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 2qgc n GLU 66 Cb 0.58 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 2qgc n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qgc n GLY 67 N 0.85 -2.53 3.71 0.62 0.00 -1.15 -4.97 105.19 101.73 2qgc n GLY 67 Ca 0.09 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 2qgc n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qgc s ILE 68 N -2.18 5.38 0.13 -0.61 1.01 -1.26 -0.55 121.20 123.12 2qgc s ILE 68 Ca 0.00 0.18 0.11 0.00 0.00 0.00 0.00 60.65 60.94 2qgc s ILE 68 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2qgc s ILE 68 CO 0.00 0.42 -0.26 -0.31 0.00 0.00 0.00 174.94 174.80 2qgc s TYR 69 N 0.48 2.23 -0.09 3.97 1.51 -0.03 -0.74 117.35 124.69 2qgc s TYR 69 Ca 0.08 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.78 2qgc s TYR 69 Cb -0.11 -1.20 0.01 0.00 -0.11 0.00 0.00 41.96 40.54 2qgc s TYR 69 CO -0.01 0.33 -0.17 0.21 -1.11 0.00 0.00 175.55 174.81 2qgc s LYS 70 N -2.09 2.32 -0.27 -0.62 2.20 -0.21 -1.31 119.74 119.76 2qgc s LYS 70 Ca 0.13 -0.61 -0.07 0.00 -0.36 0.00 0.00 55.97 55.06 2qgc s LYS 70 Cb -0.10 -1.88 -0.01 0.00 -1.51 0.00 0.00 37.83 34.34 2qgc s LYS 70 CO 0.06 0.03 0.06 0.08 -0.36 0.00 0.00 175.35 175.22 2qgc s VAL 71 N 0.71 4.04 -0.20 4.02 1.01 0.50 -0.55 120.40 129.92 2qgc s VAL 71 Ca -0.12 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 2qgc s VAL 71 Cb -0.16 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2qgc s VAL 71 CO 0.03 0.23 0.01 -0.70 0.00 0.00 0.00 175.10 174.67 2qgc s GLU 72 N 1.55 3.64 -0.21 2.72 2.12 0.12 -0.59 118.70 128.04 2qgc s GLU 72 Ca 0.05 -0.51 -0.05 0.00 0.36 0.00 0.00 54.97 54.82 2qgc s GLU 72 Cb -0.16 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.10 2qgc s GLU 72 CO 0.02 0.01 -0.00 0.42 -0.54 0.00 0.00 175.26 175.17 2qgc s ILE 73 N 1.02 3.82 -1.32 -3.70 1.01 0.49 -0.95 121.20 121.57 2qgc s ILE 73 Ca 0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.19 2qgc s ILE 73 Cb -0.14 -2.74 0.11 0.00 0.01 0.00 0.00 42.46 39.70 2qgc s ILE 73 CO 0.02 0.41 1.86 0.47 0.00 0.00 0.00 174.94 177.70 2qgc n ASP 74 N 4.52 4.72 -0.02 3.58 10.43 0.08 -1.42 116.55 138.44 2qgc n ASP 74 Ca -0.17 -2.96 -0.05 0.00 2.57 0.00 0.00 54.79 54.18 2qgc n ASP 74 Cb 0.51 -1.61 0.17 0.00 1.84 0.00 0.00 41.12 42.03 2qgc n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 2qgc h THR 75 N 4.41 1.26 -0.20 -3.53 1.35 -1.87 -3.13 112.91 111.20 2qgc h THR 75 Ca 0.44 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2qgc h THR 75 Cb 0.73 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 2qgc h THR 75 CO 1.59 0.41 0.13 0.50 -0.25 0.00 0.00 175.52 177.90 2qgc h LYS 76 N 0.53 0.27 -0.44 4.72 3.64 -1.74 -1.83 116.57 121.72 2qgc h LYS 76 Ca 0.08 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2qgc h LYS 76 Cb 0.66 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2qgc h LYS 76 CO 0.05 0.18 0.14 0.77 -2.27 0.00 0.00 179.45 178.31 2qgc h SER 77 N 0.28 0.58 0.19 4.20 0.02 -1.86 -1.15 113.55 115.81 2qgc h SER 77 Ca 0.07 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2qgc h SER 77 Cb -0.03 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 2qgc h SER 77 CO -0.02 0.56 -0.12 0.22 -1.14 0.00 0.00 176.83 176.33 2qgc h TYR 78 N 0.63 -0.32 -0.51 3.45 3.20 -1.39 -1.33 116.97 120.70 2qgc h TYR 78 Ca 0.15 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 2qgc h TYR 78 Cb 0.19 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2qgc h TYR 78 CO 0.01 -0.19 0.01 -1.49 -1.64 0.00 0.00 178.16 174.85 2qgc h TRP 79 N -0.31 0.98 -0.82 -3.82 4.06 -1.14 -2.80 115.95 112.10 2qgc h TRP 79 Ca -0.02 -0.17 0.01 0.00 2.06 0.00 0.00 58.89 60.77 2qgc h TRP 79 Cb 0.26 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 2qgc h TRP 79 CO -0.09 0.91 0.53 0.87 -3.56 0.00 0.00 178.44 177.10 2qgc h LYS 80 N 0.77 1.08 0.00 0.49 1.57 -1.11 -1.17 116.57 118.20 2qgc h LYS 80 Ca 0.15 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2qgc h LYS 80 Cb 0.51 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2qgc h LYS 80 CO 0.02 0.72 -0.10 0.00 -0.57 0.00 0.00 179.45 179.53 2qgc h ALA 81 N 1.48 1.18 -0.05 3.86 0.00 -0.98 -0.82 119.26 123.92 2qgc h ALA 81 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qgc h ALA 81 Cb -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2qgc h ALA 81 CO -0.06 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.59 2qgc n LEU 82 N -3.47 1.57 -0.91 0.00 4.77 -0.55 -4.94 117.00 113.47 2qgc n LEU 82 Ca -0.01 -0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 55.33 2qgc n LEU 82 Cb 0.25 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 2qgc n LEU 82 CO 0.29 0.28 -0.10 0.61 -1.33 0.00 0.00 177.39 177.13 2qgc n GLY 83 N 1.17 0.24 3.32 -0.72 0.00 -0.31 -5.05 105.19 103.85 2qgc n GLY 83 Ca 0.18 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2qgc n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qgc s ILE 84 N -2.40 2.42 -0.28 -0.61 1.01 -0.56 -5.01 121.20 115.76 2qgc s ILE 84 Ca 0.00 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.47 2qgc s ILE 84 Cb 0.00 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.55 2qgc s ILE 84 CO 0.00 0.56 0.85 -0.55 0.00 0.00 0.00 174.94 175.80 2qgc s SER 85 N -0.13 6.77 0.34 3.58 0.15 -1.26 -3.46 113.70 119.69 2qgc s SER 85 Ca -0.03 0.87 0.07 0.00 0.70 0.00 0.00 55.95 57.56 2qgc s SER 85 Cb -0.14 -2.44 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 2qgc s SER 85 CO 0.04 -0.61 0.47 -2.16 1.20 0.00 0.00 173.24 172.18 2qgc s PRO 86 N 3.00 3.08 -0.17 5.44 0.04 -1.26 -4.86 135.00 140.27 2qgc s PRO 86 Ca 0.35 -1.04 -0.22 0.00 0.04 0.00 0.00 61.00 60.13 2qgc s PRO 86 Cb -0.14 -2.80 -0.23 0.00 0.04 0.00 0.00 34.50 31.37 2qgc s PRO 86 CO 0.11 0.04 0.43 0.35 0.04 0.00 0.00 177.00 177.97 2qgc h PHE 87 N 0.89 0.10 -3.66 0.56 3.57 -1.35 -3.48 116.94 113.57 2qgc h PHE 87 Ca -0.45 -0.08 -0.50 0.00 3.53 0.00 0.00 57.97 60.47 2qgc h PHE 87 Cb 1.26 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 2qgc h PHE 87 CO 0.43 1.38 0.05 -1.01 -2.23 0.00 0.00 178.31 176.93 2qgc s HIS 88 N -2.35 3.39 0.18 0.41 3.76 -1.26 -4.98 115.29 114.43 2qgc s HIS 88 Ca -0.24 1.13 -0.07 0.00 -0.15 0.00 0.00 55.06 55.73 2qgc s HIS 88 Cb 0.03 -2.47 0.07 0.00 1.11 0.00 0.00 32.58 31.32 2qgc s HIS 88 CO 0.66 0.12 1.53 0.93 -0.85 0.00 0.00 174.74 177.12 2qgc h GLU 89 N 2.24 0.79 -2.27 1.40 4.39 -1.98 -3.37 114.58 115.77 2qgc h GLU 89 Ca -0.48 -0.41 0.19 0.00 0.34 0.00 0.00 59.36 59.01 2qgc h GLU 89 Cb 1.17 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.76 2qgc h GLU 89 CO 0.66 1.04 0.53 -3.38 -1.16 0.00 0.00 179.01 176.70 2qgc s HIS 90 N -4.34 -0.09 -0.17 4.33 -3.43 -1.26 -3.71 115.29 106.62 2qgc s HIS 90 Ca -0.10 -0.21 -0.03 0.00 -0.80 0.00 0.00 55.06 53.93 2qgc s HIS 90 Cb 0.12 0.64 -0.02 0.00 -1.43 0.00 0.00 32.58 31.89 2qgc s HIS 90 CO 0.86 -0.79 -0.06 0.00 -2.00 0.00 0.00 174.74 172.75 2qgc s ALA 91 N -3.05 2.86 -0.05 -1.38 0.00 -0.51 -4.89 121.76 114.74 2qgc s ALA 91 Ca 0.14 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.20 2qgc s ALA 91 Cb -0.01 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.57 2qgc s ALA 91 CO 0.02 0.02 -0.20 -1.83 0.00 0.00 0.00 175.76 173.77 2qgc s GLU 92 N 0.72 2.13 -0.22 0.00 4.04 -1.26 -0.38 118.70 123.73 2qgc s GLU 92 Ca -0.03 -0.72 -0.01 0.00 0.04 0.00 0.00 54.97 54.26 2qgc s GLU 92 Cb -0.15 -1.80 0.02 0.00 0.02 0.00 0.00 34.13 32.22 2qgc s GLU 92 CO 0.02 0.27 -0.12 0.08 -1.84 0.00 0.00 175.26 173.67 2qgc s VAL 93 N 0.03 2.57 -0.11 1.83 1.01 0.24 -4.96 120.40 121.00 2qgc s VAL 93 Ca -0.05 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.02 2qgc s VAL 93 Cb -0.13 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.05 2qgc s VAL 93 CO 0.03 0.37 -0.22 -0.69 0.00 0.00 0.00 175.10 174.59 2qgc s VAL 94 N 1.32 1.97 0.15 2.92 1.01 -1.26 -0.37 120.40 126.14 2qgc s VAL 94 Ca 0.03 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 2qgc s VAL 94 Cb -0.15 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.55 2qgc s VAL 94 CO -0.08 0.54 0.47 0.72 0.00 0.00 0.00 175.10 176.74 2qgc s PHE 95 N 0.55 -0.20 -0.19 5.22 -0.71 -0.43 -5.00 117.98 117.21 2qgc s PHE 95 Ca -0.14 -0.11 -0.11 0.00 -1.04 0.00 0.00 56.93 55.53 2qgc s PHE 95 Cb -0.17 0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 41.93 2qgc s PHE 95 CO 0.05 -0.80 0.16 0.99 -1.34 0.00 0.00 175.22 174.28 2qgc s THR 96 N -3.82 5.39 -0.00 -4.49 2.01 -1.26 -0.85 115.64 112.61 2qgc s THR 96 Ca 0.05 0.25 -0.27 0.00 0.31 0.00 0.00 61.69 62.02 2qgc s THR 96 Cb 0.01 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2qgc s THR 96 CO -0.09 0.43 0.87 0.00 -0.69 0.00 0.00 174.62 175.14 2qgc s ALA 97 N 0.37 3.25 -0.09 7.40 0.00 0.29 -4.96 121.76 128.01 2qgc s ALA 97 Ca 0.09 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2qgc s ALA 97 Cb -0.11 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.85 2qgc s ALA 97 CO -0.01 -0.13 -0.08 -0.80 0.00 0.00 0.00 175.76 174.73 2qgc s ASN 98 N 0.72 1.90 0.49 0.00 0.01 -1.26 -2.93 114.94 113.87 2qgc s ASN 98 Ca 0.45 -0.27 0.26 0.00 -0.71 0.00 0.00 52.86 52.60 2qgc s ASN 98 Cb -0.20 -0.77 1.27 0.00 0.41 0.00 0.00 41.25 41.96 2qgc s ASN 98 CO 0.25 -0.07 1.99 0.44 -1.51 0.00 0.00 177.10 178.19 2qgc h ASP 99 N 7.75 0.00 0.75 -1.22 3.32 -1.97 -2.83 116.42 122.22 2qgc h ASP 99 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2qgc h ASP 99 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2qgc h ASP 99 CO 0.42 0.16 0.00 -1.54 -1.72 0.00 0.00 179.24 176.56 2qgc n SER 100 N -3.55 0.00 -3.71 6.45 3.41 -1.26 -4.80 113.62 110.16 2qgc n SER 100 Ca -0.01 0.18 -0.12 0.00 -0.26 0.00 0.00 58.87 58.66 2qgc n SER 100 Cb 0.30 -0.39 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 2qgc n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qgc n GLY 101 N 1.26 1.66 3.58 5.00 0.00 -1.07 -5.08 105.19 110.54 2qgc n GLY 101 Ca 0.10 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 2qgc n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qgc s PRO 102 N -3.68 0.06 0.02 1.61 0.02 -1.26 -4.94 135.00 126.83 2qgc s PRO 102 Ca 0.37 1.24 0.22 0.00 0.02 0.00 0.00 61.00 62.85 2qgc s PRO 102 Cb -0.03 -1.64 -0.13 0.00 0.02 0.00 0.00 34.50 32.72 2qgc s PRO 102 CO 0.24 -3.18 0.84 0.54 -0.33 0.00 0.00 177.00 175.11 2qgc n ARG 103 N -4.59 0.32 -5.06 5.54 5.12 0.21 -4.71 116.66 113.50 2qgc n ARG 103 Ca 0.08 -0.05 -0.30 0.00 -1.93 0.00 0.00 57.85 55.64 2qgc n ARG 103 Cb 0.53 -1.55 -0.17 0.00 -1.16 0.00 0.00 32.46 30.11 2qgc n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2qgc s ARG 104 N -3.24 2.65 -0.17 5.56 0.52 0.26 -4.73 118.95 119.80 2qgc s ARG 104 Ca 0.01 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.44 2qgc s ARG 104 Cb 0.15 -2.05 -0.01 0.00 0.52 0.00 0.00 34.95 33.55 2qgc s ARG 104 CO 0.85 0.16 -0.08 0.71 0.02 0.00 0.00 175.30 176.96 2qgc s TYR 105 N 0.36 2.90 -0.19 -0.53 1.51 0.50 -1.16 117.35 120.74 2qgc s TYR 105 Ca -0.16 -0.74 -0.03 0.00 -1.01 0.00 0.00 57.07 55.13 2qgc s TYR 105 Cb -0.17 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 2qgc s TYR 105 CO 0.07 -0.33 -0.06 0.99 -1.11 0.00 0.00 175.55 175.10 2qgc s THR 106 N 0.82 3.37 -0.35 -0.71 2.01 0.15 -0.85 115.64 120.08 2qgc s THR 106 Ca -0.03 -0.51 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 2qgc s THR 106 Cb -0.15 -2.50 -0.00 0.00 0.01 0.00 0.00 72.50 69.86 2qgc s THR 106 CO 0.01 0.46 0.22 -0.63 -0.69 0.00 0.00 174.62 173.98 2qgc s ILE 107 N 1.08 4.98 -0.01 1.82 -1.09 -0.03 -0.90 121.20 127.05 2qgc s ILE 107 Ca 0.01 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 2qgc s ILE 107 Cb -0.15 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 2qgc s ILE 107 CO -0.01 -0.06 -0.08 0.00 -1.23 0.00 0.00 174.94 173.56 2qgc s ALA 108 N 1.66 2.95 -0.02 9.38 0.00 -0.50 -0.98 121.76 134.26 2qgc s ALA 108 Ca 0.05 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2qgc s ALA 108 Cb -0.18 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2qgc s ALA 108 CO 0.09 0.60 -0.07 0.00 0.00 0.00 0.00 175.76 176.38 2qgc s ALA 109 N -0.93 0.64 -0.23 0.00 0.00 -0.03 -1.52 121.76 119.68 2qgc s ALA 109 Ca 0.15 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.88 2qgc s ALA 109 Cb -0.11 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.81 2qgc s ALA 109 CO 0.06 0.11 -0.12 -1.17 0.00 0.00 0.00 175.76 174.64 2qgc s LEU 110 N 0.13 2.97 -0.11 0.00 2.96 0.07 -0.70 118.68 124.01 2qgc s LEU 110 Ca -0.01 -0.98 -0.03 0.00 -0.22 0.00 0.00 54.13 52.88 2qgc s LEU 110 Cb -0.06 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2qgc s LEU 110 CO -0.00 -0.11 0.02 -0.76 -1.32 0.00 0.00 176.35 174.18 2qgc s LEU 111 N 1.24 3.68 0.23 -0.68 1.43 0.10 -1.39 118.68 123.29 2qgc s LEU 111 Ca -0.01 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 2qgc s LEU 111 Cb -0.17 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 2qgc s LEU 111 CO -0.07 0.33 -0.02 -0.44 0.23 0.00 0.00 176.35 176.38 2qgc s SER 112 N -0.58 1.91 0.31 2.29 0.01 0.00 -0.88 113.70 116.76 2qgc s SER 112 Ca 0.10 -1.20 -0.01 0.00 1.31 0.00 0.00 55.95 56.16 2qgc s SER 112 Cb -0.12 -0.01 0.50 0.00 0.21 0.00 0.00 66.02 66.60 2qgc s SER 112 CO 0.02 -0.48 1.95 -0.65 0.41 0.00 0.00 173.24 174.50 2qgc h PRO 113 N 2.48 1.03 -0.24 12.44 0.11 -1.99 -3.03 132.00 142.80 2qgc h PRO 113 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2qgc h PRO 113 Cb 1.22 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2qgc h PRO 113 CO 0.65 0.68 0.00 0.66 -0.21 0.00 0.00 178.00 179.78 2qgc n TYR 114 N -4.44 0.49 -3.52 0.65 4.02 -1.26 -0.86 117.16 112.24 2qgc n TYR 114 Ca 0.10 -0.65 -0.13 0.00 -0.01 0.00 0.00 57.90 57.21 2qgc n TYR 114 Cb 0.09 -0.12 -0.04 0.00 -0.02 0.00 0.00 39.34 39.24 2qgc n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2qgc s SER 115 N -1.42 -0.49 0.06 7.72 1.04 -1.14 -4.95 113.70 114.52 2qgc s SER 115 Ca 0.26 0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.68 2qgc s SER 115 Cb 0.18 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.86 2qgc s SER 115 CO 0.10 -0.80 0.34 -0.72 0.98 0.00 0.00 173.24 173.14 2qgc s TYR 116 N -2.86 -0.14 0.10 5.02 -0.85 -1.26 -0.82 117.35 116.54 2qgc s TYR 116 Ca -0.03 -0.02 0.09 0.00 -0.52 0.00 0.00 57.07 56.59 2qgc s TYR 116 Cb -0.00 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.44 2qgc s TYR 116 CO -0.05 -0.56 -0.24 -1.12 -1.52 0.00 0.00 175.55 172.06 2qgc s SER 117 N -2.23 2.91 0.02 -0.18 0.01 -0.48 -4.99 113.70 108.76 2qgc s SER 117 Ca -0.03 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.55 2qgc s SER 117 Cb 0.00 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 2qgc s SER 117 CO -0.05 0.14 -0.04 0.28 0.41 0.00 0.00 173.24 173.98 2qgc s THR 118 N -1.05 0.21 0.12 1.44 -1.32 -1.26 -0.75 115.64 113.04 2qgc s THR 118 Ca 0.10 -0.69 -0.02 0.00 -1.21 0.00 0.00 61.69 59.87 2qgc s THR 118 Cb -0.10 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.56 2qgc s THR 118 CO 0.04 -0.31 0.08 0.28 -2.21 0.00 0.00 174.62 172.50 2qgc s THR 119 N -1.00 0.11 -0.07 5.08 -1.32 -0.58 -5.00 115.64 112.86 2qgc s THR 119 Ca -0.10 -1.82 0.05 0.00 -1.21 0.00 0.00 61.69 58.62 2qgc s THR 119 Cb -0.07 -1.94 -0.01 0.00 -1.51 0.00 0.00 72.50 68.97 2qgc s THR 119 CO -0.00 -0.52 -0.24 0.00 -2.21 0.00 0.00 174.62 171.65 2qgc s ALA 120 N -4.02 2.21 -0.28 11.08 0.00 -1.26 -1.40 121.76 128.08 2qgc s ALA 120 Ca 0.21 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 2qgc s ALA 120 Cb 0.07 -0.74 0.05 0.00 0.00 0.00 0.00 23.12 22.49 2qgc s ALA 120 CO -0.00 0.38 -0.03 0.08 0.00 0.00 0.00 175.76 176.19 2qgc s VAL 121 N -0.03 2.79 -0.21 0.00 1.01 -0.08 -4.99 120.40 118.89 2qgc s VAL 121 Ca -0.07 -1.40 0.01 0.00 0.00 0.00 0.00 61.98 60.52 2qgc s VAL 121 Cb -0.15 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.67 2qgc s VAL 121 CO 0.05 -0.05 -0.14 -0.69 0.00 0.00 0.00 175.10 174.27 2qgc s VAL 122 N 1.23 2.32 0.26 2.92 1.01 -1.26 -0.68 120.40 126.19 2qgc s VAL 122 Ca -0.05 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.84 2qgc s VAL 122 Cb -0.19 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2qgc s VAL 122 CO -0.02 0.33 0.12 0.42 0.00 0.00 0.00 175.10 175.95 2qgc s THR 123 N 1.26 0.36 -2.10 3.92 -4.23 -0.31 -4.79 115.64 109.76 2qgc s THR 123 Ca 0.01 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 2qgc s THR 123 Cb -0.15 -2.57 0.13 0.00 1.34 0.00 0.00 72.50 71.25 2qgc s THR 123 CO -0.09 0.00 1.03 0.59 -0.54 0.00 0.00 174.62 175.61