#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 0.46 0.03 1.53 2.96 -1.26 -0.70 118.68 121.71 2qgc s LEU 12 Ca 0.00 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 2qgc s LEU 12 Cb 0.00 -0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.35 2qgc s LEU 12 CO 0.00 -0.21 -0.13 -0.32 -1.32 0.00 0.00 176.35 174.37 2qgc s MET 13 N 1.99 0.89 -0.08 1.98 -2.45 -0.23 -4.43 119.30 116.97 2qgc s MET 13 Ca 0.04 -0.68 0.04 0.00 -1.25 0.00 0.00 55.69 53.84 2qgc s MET 13 Cb -0.12 -0.87 0.00 0.00 1.25 0.00 0.00 34.83 35.09 2qgc s MET 13 CO -0.04 0.22 -0.20 0.08 1.05 0.00 0.00 175.02 176.13 2qgc s VAL 14 N -0.76 1.73 -0.08 10.11 1.01 -0.84 -0.93 120.40 130.63 2qgc s VAL 14 Ca 0.01 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.18 2qgc s VAL 14 Cb -0.07 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.81 2qgc s VAL 14 CO 0.01 0.49 -0.17 -0.75 0.00 0.00 0.00 175.10 174.67 2qgc s LYS 15 N 0.34 2.27 -0.06 2.72 2.20 -0.26 -0.55 119.74 126.41 2qgc s LYS 15 Ca -0.14 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 2qgc s LYS 15 Cb -0.16 -1.79 0.01 0.00 -1.51 0.00 0.00 37.83 34.38 2qgc s LYS 15 CO 0.06 0.09 -0.10 0.08 -0.36 0.00 0.00 175.35 175.12 2qgc s VAL 16 N 0.54 0.97 0.14 4.02 1.01 0.14 -0.92 120.40 126.29 2qgc s VAL 16 Ca -0.16 -0.39 0.11 0.00 0.00 0.00 0.00 61.98 61.53 2qgc s VAL 16 Cb -0.17 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2qgc s VAL 16 CO 0.06 0.32 -0.25 -0.76 0.00 0.00 0.00 175.10 174.46 2qgc s LEU 17 N 0.66 2.34 -0.30 3.92 1.43 -0.10 -1.07 118.68 125.56 2qgc s LEU 17 Ca -0.13 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.15 2qgc s LEU 17 Cb -0.15 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 44.94 2qgc s LEU 17 CO 0.03 0.15 0.07 -0.62 0.23 0.00 0.00 176.35 176.21 2qgc s ASP 18 N -2.14 5.09 0.03 2.29 -1.08 0.25 -0.90 116.67 120.22 2qgc s ASP 18 Ca 0.14 -0.79 0.27 0.00 -0.52 0.00 0.00 52.55 51.65 2qgc s ASP 18 Cb -0.10 -1.86 1.13 0.00 -1.46 0.00 0.00 42.92 40.64 2qgc s ASP 18 CO 0.06 -0.21 1.87 0.00 0.52 0.00 0.00 175.17 177.42 2qgc n ALA 19 N 4.84 2.26 -0.01 3.66 0.00 -0.17 -1.45 120.51 129.65 2qgc n ALA 19 Ca -0.14 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.00 2qgc n ALA 19 Cb 0.47 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 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 1.06 -0.01 0.00 2.07 -1.95 -3.40 116.25 114.02 2qgc h VAL 20 Ca 0.00 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.16 2qgc h VAL 20 Cb 0.51 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2qgc h VAL 20 CO 0.00 0.65 -0.55 0.54 0.02 0.00 0.00 177.57 178.23 2qgc n ARG 21 N -4.03 1.12 -2.90 1.57 1.74 -1.24 -5.00 116.66 107.92 2qgc n ARG 21 Ca -0.25 -0.78 -0.11 0.00 -0.77 0.00 0.00 57.85 55.94 2qgc n ARG 21 Cb 0.84 -1.44 0.06 0.00 -1.02 0.00 0.00 32.46 30.90 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 1.39 -0.18 3.36 -0.13 0.00 -0.53 -5.03 105.19 104.08 2qgc n GLY 22 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.78 -0.06 0.65 1.61 1.04 -1.11 -5.01 113.70 107.03 2qgc s SER 23 Ca 0.06 -0.68 -0.18 0.00 0.48 0.00 0.00 55.95 55.64 2qgc s SER 23 Cb -0.01 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 2qgc s SER 23 CO 0.49 -0.91 1.23 -0.81 0.98 0.00 0.00 173.24 174.22 2qgc n PRO 24 N -0.23 1.03 -3.16 4.02 -0.04 -1.26 -0.58 135.00 134.77 2qgc n PRO 24 Ca -0.10 0.41 -0.44 0.00 -0.04 0.00 0.00 63.50 63.33 2qgc n PRO 24 Cb 0.63 -2.46 -0.07 0.00 -0.04 0.00 0.00 33.50 31.56 2qgc n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qgc s ALA 25 N -1.44 3.38 0.08 0.55 0.00 -0.24 -4.54 121.76 119.55 2qgc s ALA 25 Ca 0.81 -1.63 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2qgc s ALA 25 Cb -0.38 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 2qgc s ALA 25 CO 0.42 -1.94 0.50 0.42 0.00 0.00 0.00 175.76 175.16 2qgc s ILE 26 N 2.62 4.91 -1.34 0.00 1.01 -1.26 -4.31 121.20 122.82 2qgc s ILE 26 Ca 0.16 0.87 -0.06 0.00 0.00 0.00 0.00 60.65 61.63 2qgc s ILE 26 Cb -0.18 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.54 2qgc s ILE 26 CO 0.13 0.41 0.73 -3.20 0.00 0.00 0.00 174.94 173.01 2qgc n ASN 27 N 1.30 -5.78 -4.69 3.58 5.15 -0.38 -4.95 115.26 109.49 2qgc n ASN 27 Ca -0.09 -0.34 -0.40 0.00 -0.60 0.00 0.00 54.58 53.15 2qgc n ASN 27 Cb 0.52 -4.54 -0.05 0.00 -0.53 0.00 0.00 39.78 35.18 2qgc n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2qgc s VAL 28 N -3.18 5.02 0.24 3.44 1.01 -1.26 -4.77 120.40 120.91 2qgc s VAL 28 Ca 0.36 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.40 2qgc s VAL 28 Cb -0.16 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 2qgc s VAL 28 CO 0.45 0.17 1.02 0.00 0.00 0.00 0.00 175.10 176.73 2qgc s ALA 29 N 1.42 3.37 -0.05 5.51 0.00 -1.26 -1.16 121.76 129.59 2qgc s ALA 29 Ca 0.34 0.75 0.01 0.00 0.00 0.00 0.00 51.96 53.06 2qgc s ALA 29 Cb -0.17 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.70 2qgc s ALA 29 CO 0.14 0.01 -0.05 0.08 0.00 0.00 0.00 175.76 175.94 2qgc s VAL 30 N -1.02 0.61 -0.11 0.00 1.01 -0.00 -0.93 120.40 119.95 2qgc s VAL 30 Ca 0.43 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2qgc s VAL 30 Cb -0.29 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2qgc s VAL 30 CO 0.36 0.25 -0.23 -1.00 0.00 0.00 0.00 175.10 174.48 2qgc s HIS 31 N 0.96 2.50 -0.10 5.22 3.76 -0.10 -1.44 115.29 126.09 2qgc s HIS 31 Ca -0.10 -1.09 -0.01 0.00 -0.15 0.00 0.00 55.06 53.71 2qgc s HIS 31 Cb -0.14 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.83 2qgc s HIS 31 CO 0.00 -0.46 -0.07 0.08 -0.85 0.00 0.00 174.74 173.44 2qgc s VAL 32 N 0.50 3.63 0.19 -0.90 1.01 0.11 -0.26 120.40 124.68 2qgc s VAL 32 Ca -0.15 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.43 2qgc s VAL 32 Cb -0.17 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2qgc s VAL 32 CO 0.06 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.17 2qgc s PHE 33 N -0.26 1.88 -0.03 5.22 0.40 0.25 -0.53 117.98 124.91 2qgc s PHE 33 Ca 0.03 -0.47 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 2qgc s PHE 33 Cb -0.13 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.50 2qgc s PHE 33 CO 0.03 0.40 -0.12 0.50 0.70 0.00 0.00 175.22 176.73 2qgc s ARG 34 N -3.12 1.26 0.02 0.44 3.52 0.02 -0.85 118.95 120.25 2qgc s ARG 34 Ca 0.20 -0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 55.09 2qgc s ARG 34 Cb -0.04 -1.13 -0.07 0.00 -1.56 0.00 0.00 34.95 32.15 2qgc s ARG 34 CO 0.08 0.14 1.53 0.15 -0.81 0.00 0.00 175.30 176.39 2qgc s LYS 35 N 0.19 4.24 0.74 5.12 1.02 0.10 -0.96 119.74 130.19 2qgc s LYS 35 Ca -0.04 2.14 -0.06 0.00 0.02 0.00 0.00 55.97 58.02 2qgc s LYS 35 Cb -0.10 -3.62 0.10 0.00 -0.52 0.00 0.00 37.83 33.69 2qgc s LYS 35 CO 0.01 -0.67 1.05 0.00 -0.92 0.00 0.00 175.35 174.82 2qgc s ALA 36 N 2.65 3.17 0.46 5.17 0.00 0.18 -4.71 121.76 128.69 2qgc s ALA 36 Ca 0.69 -1.20 0.12 0.00 0.00 0.00 0.00 51.96 51.57 2qgc s ALA 36 Cb -0.35 -2.45 1.06 0.00 0.00 0.00 0.00 23.12 21.38 2qgc s ALA 36 CO 0.29 -1.51 2.10 0.00 0.00 0.00 0.00 175.76 176.64 2qgc h ALA 37 N -0.72 1.86 -0.16 0.00 0.00 -1.95 -0.14 119.26 118.16 2qgc h ALA 37 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qgc h ALA 37 Cb 1.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2qgc h ALA 37 CO 0.51 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 2qgc n ASP 38 N -4.50 0.92 0.00 0.00 5.75 -1.26 -4.91 116.55 112.54 2qgc n ASP 38 Ca 0.00 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 2qgc n ASP 38 Cb 0.09 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 -0.04 -2.26 -4.92 -1.12 8.00 -0.06 -5.03 116.55 111.11 2qgc n ASP 39 Ca 0.08 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.32 2qgc n ASP 39 Cb 0.16 -0.72 0.01 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.45 4.51 -0.53 -3.53 -4.23 -1.26 -4.81 115.64 103.34 2qgc s THR 40 Ca 0.00 -0.09 -0.20 0.00 -1.18 0.00 0.00 61.69 60.22 2qgc s THR 40 Cb 0.00 -3.71 0.06 0.00 1.34 0.00 0.00 72.50 70.20 2qgc s THR 40 CO 0.00 -0.62 0.70 0.26 -0.54 0.00 0.00 174.62 174.42 2qgc s TRP 41 N -2.69 2.99 0.03 3.99 0.52 -1.26 -0.64 118.94 121.88 2qgc s TRP 41 Ca 0.48 -0.52 -0.19 0.00 0.02 0.00 0.00 56.10 55.88 2qgc s TRP 41 Cb -0.10 -3.72 -0.06 0.00 -1.15 0.00 0.00 33.47 28.44 2qgc s TRP 41 CO 0.42 -1.15 0.55 -1.21 0.02 0.00 0.00 176.95 175.58 2qgc s GLU 42 N 2.90 4.19 0.27 4.98 2.02 -0.14 -4.83 118.70 128.08 2qgc s GLU 42 Ca 0.17 0.67 -0.31 0.00 0.02 0.00 0.00 54.97 55.53 2qgc s GLU 42 Cb -0.19 -3.27 -0.12 0.00 0.10 0.00 0.00 34.13 30.65 2qgc s GLU 42 CO 0.12 0.56 1.57 -2.30 0.02 0.00 0.00 175.26 175.23 2qgc n PRO 43 N 2.07 2.55 -0.01 0.39 -0.02 -1.26 -0.80 135.00 137.93 2qgc n PRO 43 Ca -0.10 0.91 -0.02 0.00 -2.02 0.00 0.00 63.50 62.27 2qgc n PRO 43 Cb 0.51 -2.68 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 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 2.38 0.00 -3.67 6.00 7.35 0.31 -4.78 117.46 125.04 2qgc n PHE 44 Ca 0.10 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.78 2qgc n PHE 44 Cb 0.35 -0.09 -0.01 0.00 0.35 0.00 0.00 39.48 40.08 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 -2.05 -1.96 0.19 3.13 0.00 -0.91 -5.01 121.76 115.15 2qgc s ALA 45 Ca -0.03 0.49 -0.19 0.00 0.00 0.00 0.00 51.96 52.22 2qgc s ALA 45 Cb 0.01 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.63 2qgc s ALA 45 CO 0.05 -1.02 0.56 -1.54 0.00 0.00 0.00 175.76 173.81 2qgc s SER 46 N -2.92 -0.34 0.00 0.00 1.04 -1.26 0.10 113.70 110.32 2qgc s SER 46 Ca 0.13 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2qgc s SER 46 Cb 0.02 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2qgc s SER 46 CO -0.01 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2qgc n GLY 47 N -0.36 -1.11 3.07 7.32 0.00 -0.52 -4.97 105.19 108.62 2qgc n GLY 47 Ca -0.11 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.06 2qgc n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qgc s LYS 48 N -0.03 0.52 0.45 1.61 -2.85 -1.26 -0.82 119.74 117.35 2qgc s LYS 48 Ca 0.00 -0.88 -0.24 0.00 -1.00 0.00 0.00 55.97 53.85 2qgc s LYS 48 Cb 0.00 0.19 -0.07 0.00 -2.06 0.00 0.00 37.83 35.88 2qgc s LYS 48 CO 0.00 -0.11 1.21 0.95 0.10 0.00 0.00 175.35 177.50 2qgc s THR 49 N -2.76 2.93 0.38 3.79 -4.23 -0.30 -4.70 115.64 110.73 2qgc s THR 49 Ca -0.04 0.73 -0.06 0.00 -1.18 0.00 0.00 61.69 61.14 2qgc s THR 49 Cb -0.00 -3.39 0.09 0.00 1.34 0.00 0.00 72.50 70.54 2qgc s THR 49 CO -0.06 0.02 0.52 -1.54 -0.54 0.00 0.00 174.62 173.02 2qgc n SER 50 N -0.36 0.09 0.22 3.99 3.41 0.04 -1.24 113.62 119.76 2qgc n SER 50 Ca 0.07 -1.22 0.15 0.00 -0.26 0.00 0.00 58.87 57.61 2qgc n SER 50 Cb 0.47 -0.39 0.71 0.00 -0.26 0.00 0.00 64.21 64.73 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 -0.01 4.33 4.39 -1.94 0.08 114.58 121.43 2qgc h GLU 51 Ca -0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2qgc h GLU 51 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2qgc h GLU 51 CO 0.12 0.00 -0.01 -1.13 -1.16 0.00 0.00 179.01 176.83 2qgc n SER 52 N -2.63 1.12 -0.14 1.42 3.41 -1.26 -4.80 113.62 110.74 2qgc n SER 52 Ca -0.00 -1.34 -0.02 0.00 -0.26 0.00 0.00 58.87 57.25 2qgc n SER 52 Cb 0.17 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 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 1.14 0.54 3.53 5.00 0.00 0.02 -4.78 105.19 110.65 2qgc n GLY 53 Ca 0.20 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.34 2.03 -0.19 1.61 2.02 -1.26 -0.69 118.70 120.88 2qgc s GLU 54 Ca 0.00 -1.06 -0.01 0.00 0.02 0.00 0.00 54.97 53.92 2qgc s GLU 54 Cb 0.00 -2.24 0.05 0.00 0.10 0.00 0.00 34.13 32.05 2qgc s GLU 54 CO 0.00 0.51 -0.01 -1.17 0.02 0.00 0.00 175.26 174.60 2qgc s LEU 55 N -2.06 1.61 0.33 1.80 2.96 0.29 -0.78 118.68 122.82 2qgc s LEU 55 Ca 0.19 -0.83 0.08 0.00 -0.22 0.00 0.00 54.13 53.36 2qgc s LEU 55 Cb -0.11 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 2qgc s LEU 55 CO 0.11 -0.25 0.13 -1.00 -1.32 0.00 0.00 176.35 174.03 2qgc s HIS 56 N 1.69 2.73 -0.11 5.38 3.76 -1.26 -1.99 115.29 125.49 2qgc s HIS 56 Ca -0.01 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 2qgc s HIS 56 Cb -0.17 -1.59 0.00 0.00 1.11 0.00 0.00 32.58 31.93 2qgc s HIS 56 CO -0.07 0.37 0.00 0.41 -0.85 0.00 0.00 174.74 174.60 2qgc n GLY 57 N -1.13 0.49 0.31 -2.22 0.00 -1.26 -4.93 105.19 96.45 2qgc n GLY 57 Ca -0.03 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 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 0.88 0.00 0.99 3.38 -1.87 -3.47 115.31 115.22 2qgc h LEU 58 Ca -0.02 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 2qgc h LEU 58 Cb 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2qgc h LEU 58 CO 0.03 0.84 0.02 1.07 0.09 0.00 0.00 178.44 180.49 2qgc n THR 59 N -4.27 0.00 -4.40 0.22 5.66 -1.26 -4.81 114.28 105.42 2qgc n THR 59 Ca 0.05 -1.12 -0.21 0.00 -3.05 0.00 0.00 64.05 59.72 2qgc n THR 59 Cb 0.23 0.81 -0.10 0.00 -1.55 0.00 0.00 70.33 69.72 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 -2.56 1.94 0.20 1.09 -4.23 -1.26 -4.58 115.64 106.24 2qgc s THR 60 Ca 0.18 -2.25 -0.12 0.00 -1.18 0.00 0.00 61.69 58.32 2qgc s THR 60 Cb -0.02 -2.19 0.17 0.00 1.34 0.00 0.00 72.50 71.80 2qgc s THR 60 CO 0.13 -0.49 1.67 -0.33 -0.54 0.00 0.00 174.62 175.07 2qgc h GLU 61 N 2.42 0.12 -0.59 3.99 5.08 -2.00 -1.22 114.58 122.39 2qgc h GLU 61 Ca -0.39 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2qgc h GLU 61 Cb 1.23 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2qgc h GLU 61 CO 0.62 0.08 0.31 0.93 -1.00 0.00 0.00 179.01 179.96 2qgc h GLU 62 N 0.12 0.82 0.00 2.33 5.08 -2.03 -3.07 114.58 117.83 2qgc h GLU 62 Ca 0.30 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 2qgc h GLU 62 Cb 0.46 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2qgc h GLU 62 CO -0.48 0.64 -0.64 1.49 -1.00 0.00 0.00 179.01 179.02 2qgc h GLU 63 N 0.79 0.00 -3.89 2.33 4.81 -1.88 -3.38 114.58 113.36 2qgc h GLU 63 Ca 0.21 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.69 2qgc h GLU 63 Cb 0.06 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.30 2qgc h GLU 63 CO -0.03 0.64 2.09 0.34 -0.73 0.00 0.00 179.01 181.32 2qgc n PHE 64 N -3.31 3.44 -1.93 0.92 7.35 -0.49 -4.95 117.46 118.48 2qgc n PHE 64 Ca 0.01 -2.91 -0.29 0.00 -0.76 0.00 0.00 57.45 53.49 2qgc n PHE 64 Cb 0.77 -2.11 0.16 0.00 0.35 0.00 0.00 39.48 38.65 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 1.17 2.00 0.56 -2.13 -7.23 -1.26 -4.94 120.40 108.58 2qgc s VAL 65 Ca 0.42 -0.01 -0.21 0.00 -1.81 0.00 0.00 61.98 60.37 2qgc s VAL 65 Cb 0.08 -2.99 -0.05 0.00 0.56 0.00 0.00 36.38 33.98 2qgc s VAL 65 CO -0.01 0.00 1.26 1.21 -0.31 0.00 0.00 175.10 177.25 2qgc n GLU 66 N -3.64 1.43 0.00 4.82 0.00 -1.26 -4.77 120.64 117.23 2qgc n GLU 66 Ca 0.13 0.53 0.00 0.00 0.00 0.00 0.00 57.16 57.83 2qgc n GLU 66 Cb 0.60 -2.46 0.00 0.00 0.00 0.00 0.00 31.44 29.58 2qgc n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2qgc n GLY 67 N 0.91 -0.88 3.56 8.31 0.00 -1.01 -5.00 105.19 111.08 2qgc n GLY 67 Ca 0.12 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.00 4.92 0.10 -0.61 1.01 -1.26 -0.98 121.20 122.38 2qgc s ILE 68 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.76 2qgc s ILE 68 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2qgc s ILE 68 CO 0.00 0.32 -0.16 -0.31 0.00 0.00 0.00 174.94 174.80 2qgc s TYR 69 N 1.40 2.60 -0.14 3.97 1.51 -0.03 -0.72 117.35 125.94 2qgc s TYR 69 Ca 0.06 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 2qgc s TYR 69 Cb -0.15 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.33 2qgc s TYR 69 CO 0.06 0.38 -0.15 0.21 -1.11 0.00 0.00 175.55 174.95 2qgc s LYS 70 N -2.06 2.28 -0.36 -0.62 2.20 -0.03 -1.24 119.74 119.90 2qgc s LYS 70 Ca 0.18 -0.56 -0.11 0.00 -0.36 0.00 0.00 55.97 55.13 2qgc s LYS 70 Cb -0.11 -2.04 0.02 0.00 -1.51 0.00 0.00 37.83 34.19 2qgc s LYS 70 CO 0.10 -0.18 0.20 0.08 -0.36 0.00 0.00 175.35 175.20 2qgc s VAL 71 N 1.32 4.63 -0.26 4.02 1.01 0.54 -0.58 120.40 131.08 2qgc s VAL 71 Ca 0.01 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 2qgc s VAL 71 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2qgc s VAL 71 CO -0.08 -0.16 0.13 -0.70 0.00 0.00 0.00 175.10 174.30 2qgc s GLU 72 N 1.58 3.85 -0.23 2.72 2.12 0.64 -0.64 118.70 128.73 2qgc s GLU 72 Ca 0.03 -0.38 -0.07 0.00 0.36 0.00 0.00 54.97 54.91 2qgc s GLU 72 Cb -0.19 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 2qgc s GLU 72 CO 0.07 -0.14 0.06 0.42 -0.54 0.00 0.00 175.26 175.13 2qgc s ILE 73 N 1.56 4.33 -1.29 -3.70 1.01 0.29 -0.92 121.20 122.48 2qgc s ILE 73 Ca 0.07 -0.17 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 2qgc s ILE 73 Cb -0.15 -3.01 0.13 0.00 0.01 0.00 0.00 42.46 39.44 2qgc s ILE 73 CO 0.07 0.36 1.77 0.47 0.00 0.00 0.00 174.94 177.62 2qgc n ASP 74 N 4.67 4.91 -0.02 3.58 8.00 -0.11 -1.37 116.55 136.21 2qgc n ASP 74 Ca -0.16 -2.99 -0.09 0.00 0.71 0.00 0.00 54.79 52.25 2qgc n ASP 74 Cb 0.52 -1.58 0.07 0.00 -0.02 0.00 0.00 41.12 40.10 2qgc n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2qgc h THR 75 N 4.36 1.30 -0.57 -3.53 1.35 -1.87 -3.11 112.91 110.85 2qgc h THR 75 Ca 0.41 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 2qgc h THR 75 Cb 0.75 1.61 -0.03 0.00 -1.73 0.00 0.00 68.15 68.75 2qgc h THR 75 CO 1.52 0.52 0.37 0.50 -0.25 0.00 0.00 175.52 178.18 2qgc h LYS 76 N 0.50 0.76 -0.53 4.72 3.64 -1.71 -2.17 116.57 121.77 2qgc h LYS 76 Ca 0.03 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2qgc h LYS 76 Cb 0.99 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 2qgc h LYS 76 CO 0.09 0.51 0.02 0.77 -2.27 0.00 0.00 179.45 178.58 2qgc h SER 77 N 0.77 0.91 -0.42 4.20 0.02 -1.84 -1.72 113.55 115.47 2qgc h SER 77 Ca 0.21 -0.30 0.09 0.00 -0.84 0.00 0.00 61.79 60.95 2qgc h SER 77 Cb -0.07 -0.24 -0.09 0.00 0.14 0.00 0.00 62.40 62.14 2qgc h SER 77 CO -0.04 0.98 -0.17 0.22 -1.14 0.00 0.00 176.83 176.68 2qgc h TYR 78 N 0.81 -0.40 -0.15 3.45 3.20 -1.39 -2.69 116.97 119.80 2qgc h TYR 78 Ca 0.15 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.90 2qgc h TYR 78 Cb 0.50 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2qgc h TYR 78 CO 0.04 -0.25 -0.60 -1.49 -1.64 0.00 0.00 178.16 174.22 2qgc h TRP 79 N -0.08 0.63 -0.64 -3.82 4.06 -1.17 -2.94 115.95 111.98 2qgc h TRP 79 Ca 0.21 -0.24 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 2qgc h TRP 79 Cb 0.40 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.41 2qgc h TRP 79 CO -0.42 0.96 0.34 0.87 -3.56 0.00 0.00 178.44 176.63 2qgc h LYS 80 N 0.37 0.89 0.00 0.49 1.57 -1.03 -1.21 116.57 117.65 2qgc h LYS 80 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2qgc h LYS 80 Cb 1.14 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2qgc h LYS 80 CO 0.11 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 2qgc h ALA 81 N 1.48 1.00 -0.10 3.86 0.00 -1.29 -1.86 119.26 122.34 2qgc h ALA 81 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qgc h ALA 81 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2qgc h ALA 81 CO -0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.49 2qgc n LEU 82 N -2.52 1.81 0.00 0.00 4.77 -0.54 -4.96 117.00 115.56 2qgc n LEU 82 Ca 0.02 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2qgc n LEU 82 Cb 0.29 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2qgc n LEU 82 CO 0.24 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2qgc n GLY 83 N 1.19 0.55 3.39 -0.72 0.00 -0.70 -5.06 105.19 103.85 2qgc n GLY 83 Ca 0.17 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 2.95 -0.47 -0.61 1.01 -0.72 -5.01 121.20 116.35 2qgc s ILE 84 Ca 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 2qgc s ILE 84 Cb 0.00 -2.20 0.07 0.00 0.01 0.00 0.00 42.46 40.34 2qgc s ILE 84 CO 0.00 0.55 0.42 -0.55 0.00 0.00 0.00 174.94 175.36 2qgc s SER 85 N -0.06 6.16 0.61 3.58 0.15 -1.26 -2.55 113.70 120.33 2qgc s SER 85 Ca -0.03 -1.22 -0.02 0.00 0.70 0.00 0.00 55.95 55.38 2qgc s SER 85 Cb -0.14 -2.20 0.04 0.00 -1.71 0.00 0.00 66.02 62.02 2qgc s SER 85 CO 0.04 -0.66 0.88 -2.16 1.20 0.00 0.00 173.24 172.53 2qgc s PRO 86 N 1.79 2.41 -0.12 5.44 0.04 -1.26 -5.00 135.00 138.31 2qgc s PRO 86 Ca 0.06 -0.54 -0.27 0.00 0.04 0.00 0.00 61.00 60.29 2qgc s PRO 86 Cb -0.23 -2.35 -0.23 0.00 0.04 0.00 0.00 34.50 31.73 2qgc s PRO 86 CO 0.08 -0.93 0.81 0.35 0.04 0.00 0.00 177.00 177.35 2qgc h PHE 87 N -0.21 -0.01 -3.71 0.56 3.57 -1.44 -3.47 116.94 112.23 2qgc h PHE 87 Ca -0.43 -0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.57 2qgc h PHE 87 Cb 1.30 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2qgc h PHE 87 CO 0.36 0.84 0.11 -1.01 -2.23 0.00 0.00 178.31 176.37 2qgc s HIS 88 N -2.54 3.43 0.10 0.41 3.76 -1.26 -4.99 115.29 114.21 2qgc s HIS 88 Ca -0.17 1.11 -0.12 0.00 -0.15 0.00 0.00 55.06 55.72 2qgc s HIS 88 Cb -0.02 -2.48 -0.16 0.00 1.11 0.00 0.00 32.58 31.03 2qgc s HIS 88 CO 0.64 -0.03 1.30 0.93 -0.85 0.00 0.00 174.74 176.73 2qgc h GLU 89 N 1.65 0.78 -2.41 1.40 4.39 -1.98 -3.36 114.58 115.05 2qgc h GLU 89 Ca -0.47 -0.66 0.17 0.00 0.34 0.00 0.00 59.36 58.73 2qgc h GLU 89 Cb 1.18 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.90 2qgc h GLU 89 CO 0.64 1.26 0.47 -3.38 -1.16 0.00 0.00 179.01 176.85 2qgc s HIS 90 N -3.70 -0.11 -0.17 4.33 -3.43 -1.26 -3.35 115.29 107.60 2qgc s HIS 90 Ca -0.10 -0.22 -0.02 0.00 -0.80 0.00 0.00 55.06 53.92 2qgc s HIS 90 Cb 0.08 0.65 -0.01 0.00 -1.43 0.00 0.00 32.58 31.88 2qgc s HIS 90 CO 0.91 -0.88 -0.09 0.00 -2.00 0.00 0.00 174.74 172.68 2qgc s ALA 91 N -3.22 2.73 -0.07 -1.38 0.00 -0.47 -4.88 121.76 114.46 2qgc s ALA 91 Ca 0.13 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.11 2qgc s ALA 91 Cb -0.02 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 2qgc s ALA 91 CO 0.03 -0.04 -0.13 -1.21 0.00 0.00 0.00 175.76 174.41 2qgc s GLU 92 N 0.83 2.69 -0.15 0.00 2.02 -1.26 -0.55 118.70 122.28 2qgc s GLU 92 Ca -0.03 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.29 2qgc s GLU 92 Cb -0.15 -2.46 0.03 0.00 0.10 0.00 0.00 34.13 31.66 2qgc s GLU 92 CO 0.01 0.56 -0.09 0.08 0.02 0.00 0.00 175.26 175.84 2qgc s VAL 93 N -0.56 1.33 -0.11 2.63 1.01 0.19 -4.97 120.40 119.93 2qgc s VAL 93 Ca 0.08 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2qgc s VAL 93 Cb -0.12 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.90 2qgc s VAL 93 CO 0.01 0.29 -0.21 -0.69 0.00 0.00 0.00 175.10 174.51 2qgc s VAL 94 N 1.56 1.87 -0.03 2.92 1.01 -1.26 -0.34 120.40 126.14 2qgc s VAL 94 Ca 0.03 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 2qgc s VAL 94 Cb -0.14 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.65 2qgc s VAL 94 CO -0.09 0.52 0.59 0.72 0.00 0.00 0.00 175.10 176.83 2qgc s PHE 95 N 0.58 -0.53 0.06 5.22 -0.71 -0.38 -5.00 117.98 117.22 2qgc s PHE 95 Ca -0.14 0.87 -0.30 0.00 -1.04 0.00 0.00 56.93 56.32 2qgc s PHE 95 Cb -0.17 0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 41.94 2qgc s PHE 95 CO 0.04 -0.57 0.99 0.99 -1.34 0.00 0.00 175.22 175.33 2qgc s THR 96 N -1.38 4.63 0.08 -4.49 2.01 -1.26 -0.85 115.64 114.37 2qgc s THR 96 Ca -0.11 2.02 0.09 0.00 0.31 0.00 0.00 61.69 64.00 2qgc s THR 96 Cb -0.01 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 2qgc s THR 96 CO 0.07 0.23 -0.24 0.00 -0.69 0.00 0.00 174.62 174.00 2qgc s ALA 97 N 0.52 2.06 -1.52 7.40 0.00 -0.15 -4.83 121.76 125.23 2qgc s ALA 97 Ca 0.50 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2qgc s ALA 97 Cb -0.23 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2qgc s ALA 97 CO 0.29 0.46 0.00 0.09 0.00 0.00 0.00 175.76 176.61 2qgc n ASN 98 N 1.46 -4.77 -0.03 0.00 3.02 -1.26 -2.40 115.26 111.28 2qgc n ASN 98 Ca -0.18 0.25 0.14 0.00 -0.03 0.00 0.00 54.58 54.76 2qgc n ASN 98 Cb 0.53 -3.71 0.60 0.00 -0.61 0.00 0.00 39.78 36.59 2qgc n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2qgc n ASP 99 N -0.62 0.18 -1.06 6.41 5.75 -1.26 -2.46 116.55 123.49 2qgc n ASP 99 Ca -0.16 -0.02 -0.04 0.00 -0.01 0.00 0.00 54.79 54.56 2qgc n ASP 99 Cb 0.55 -0.24 0.16 0.00 -1.03 0.00 0.00 41.12 40.55 2qgc n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2qgc n SER 100 N -1.31 2.72 0.00 -1.12 7.64 -1.26 -5.09 113.62 115.20 2qgc n SER 100 Ca 0.10 -3.85 0.00 0.00 1.01 0.00 0.00 58.87 56.13 2qgc n SER 100 Cb 0.30 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2qgc n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qgc n GLY 101 N -1.01 0.95 3.76 0.23 0.00 -1.03 -4.98 105.19 103.11 2qgc n GLY 101 Ca 0.28 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 2qgc n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qgc s PRO 102 N -1.74 4.14 0.17 1.61 0.04 -1.26 -4.28 135.00 133.69 2qgc s PRO 102 Ca 0.00 2.53 0.02 0.00 0.04 0.00 0.00 61.00 63.60 2qgc s PRO 102 Cb 0.00 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 2qgc s PRO 102 CO 0.00 -0.55 -0.01 1.03 0.04 0.00 0.00 177.00 177.50 2qgc s ARG 103 N -1.16 1.12 -0.16 4.56 1.81 -1.26 -4.67 118.95 119.20 2qgc s ARG 103 Ca 0.58 -1.54 -0.06 0.00 -1.72 0.00 0.00 55.73 53.00 2qgc s ARG 103 Cb -0.46 -0.34 -0.04 0.00 -0.45 0.00 0.00 34.95 33.66 2qgc s ARG 103 CO 0.54 -0.10 0.04 1.03 -0.68 0.00 0.00 175.30 176.12 2qgc s ARG 104 N -3.89 3.71 -0.13 3.54 0.52 0.18 -4.84 118.95 118.04 2qgc s ARG 104 Ca 0.23 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.10 2qgc s ARG 104 Cb 0.06 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.44 2qgc s ARG 104 CO 0.04 0.38 -0.21 0.71 0.02 0.00 0.00 175.30 176.24 2qgc s TYR 105 N 0.04 2.66 -0.23 -0.53 1.51 0.13 -0.87 117.35 120.07 2qgc s TYR 105 Ca 0.04 -1.19 -0.05 0.00 -1.01 0.00 0.00 57.07 54.86 2qgc s TYR 105 Cb -0.12 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 2qgc s TYR 105 CO 0.01 -0.53 0.01 0.99 -1.11 0.00 0.00 175.55 174.93 2qgc s THR 106 N 0.67 3.85 -0.34 -0.71 2.01 0.02 -1.07 115.64 120.08 2qgc s THR 106 Ca -0.10 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.46 2qgc s THR 106 Cb -0.16 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.58 2qgc s THR 106 CO 0.01 0.39 0.19 -0.63 -0.69 0.00 0.00 174.62 173.89 2qgc s ILE 107 N 1.46 4.72 -0.05 1.82 -1.09 -0.10 -1.12 121.20 126.83 2qgc s ILE 107 Ca 0.05 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 57.95 2qgc s ILE 107 Cb -0.15 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 2qgc s ILE 107 CO 0.00 -0.05 -0.06 0.00 -1.23 0.00 0.00 174.94 173.61 2qgc s ALA 108 N 1.61 3.04 -0.01 9.38 0.00 -0.47 -1.10 121.76 134.21 2qgc s ALA 108 Ca 0.04 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.11 2qgc s ALA 108 Cb -0.18 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 2qgc s ALA 108 CO 0.07 0.59 -0.07 0.00 0.00 0.00 0.00 175.76 176.35 2qgc s ALA 109 N -0.87 0.59 -0.21 0.00 0.00 -0.10 -1.42 121.76 119.75 2qgc s ALA 109 Ca 0.14 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2qgc s ALA 109 Cb -0.11 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.87 2qgc s ALA 109 CO 0.03 0.13 -0.16 -1.17 0.00 0.00 0.00 175.76 174.59 2qgc s LEU 110 N -0.07 2.54 -0.10 0.00 2.96 0.16 -0.92 118.68 123.25 2qgc s LEU 110 Ca 0.01 -0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 53.09 2qgc s LEU 110 Cb -0.04 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 2qgc s LEU 110 CO -0.00 -0.05 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.19 2qgc s LEU 111 N 1.26 3.38 0.23 -0.68 1.43 -0.08 -1.45 118.68 122.77 2qgc s LEU 111 Ca 0.02 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 2qgc s LEU 111 Cb -0.15 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 2qgc s LEU 111 CO -0.10 0.32 -0.03 -0.44 0.23 0.00 0.00 176.35 176.33 2qgc s SER 112 N -0.54 2.04 0.38 2.29 0.01 0.21 -1.00 113.70 117.10 2qgc s SER 112 Ca 0.09 -1.18 0.05 0.00 1.31 0.00 0.00 55.95 56.22 2qgc s SER 112 Cb -0.12 -0.03 0.76 0.00 0.21 0.00 0.00 66.02 66.84 2qgc s SER 112 CO 0.02 -0.45 2.03 -0.65 0.41 0.00 0.00 173.24 174.60 2qgc h PRO 113 N 2.47 0.68 -0.16 12.44 0.11 -1.99 -2.98 132.00 142.57 2qgc h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2qgc h PRO 113 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qgc h PRO 113 CO 0.65 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 179.55 2qgc n TYR 114 N -4.46 0.33 -3.52 0.65 4.02 -1.26 -1.04 117.16 111.88 2qgc n TYR 114 Ca 0.05 -0.68 -0.14 0.00 -0.01 0.00 0.00 57.90 57.12 2qgc n TYR 114 Cb 0.08 -0.12 -0.05 0.00 -0.02 0.00 0.00 39.34 39.23 2qgc n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2qgc s SER 115 N -1.56 -0.53 0.07 7.72 0.15 -1.13 -4.94 113.70 113.49 2qgc s SER 115 Ca 0.22 0.27 -0.12 0.00 0.70 0.00 0.00 55.95 57.01 2qgc s SER 115 Cb 0.16 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 65.02 2qgc s SER 115 CO 0.07 -0.75 0.28 -0.72 1.20 0.00 0.00 173.24 173.32 2qgc s TYR 116 N -2.46 -0.04 0.11 3.44 -0.85 -1.26 -0.61 117.35 115.68 2qgc s TYR 116 Ca -0.05 -0.23 0.09 0.00 -0.52 0.00 0.00 57.07 56.36 2qgc s TYR 116 Cb -0.01 0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 2qgc s TYR 116 CO -0.02 -0.55 -0.21 -1.54 -1.52 0.00 0.00 175.55 171.71 2qgc s SER 117 N -2.45 2.66 0.01 -0.18 1.04 -0.53 -4.98 113.70 109.27 2qgc s SER 117 Ca -0.00 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.71 2qgc s SER 117 Cb 0.01 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 2qgc s SER 117 CO -0.07 0.06 -0.02 0.28 0.98 0.00 0.00 173.24 174.47 2qgc s THR 118 N -1.25 0.13 0.13 2.02 -1.32 -1.26 -0.67 115.64 113.42 2qgc s THR 118 Ca 0.08 -0.50 -0.01 0.00 -1.21 0.00 0.00 61.69 60.06 2qgc s THR 118 Cb -0.10 -0.20 -0.04 0.00 -1.51 0.00 0.00 72.50 70.66 2qgc s THR 118 CO 0.05 -0.23 0.04 0.28 -2.21 0.00 0.00 174.62 172.54 2qgc s THR 119 N -0.75 0.18 0.03 5.08 -1.32 -0.51 -5.01 115.64 113.34 2qgc s THR 119 Ca -0.07 -1.91 0.08 0.00 -1.21 0.00 0.00 61.69 58.58 2qgc s THR 119 Cb -0.05 -1.99 -0.02 0.00 -1.51 0.00 0.00 72.50 68.92 2qgc s THR 119 CO -0.00 -0.53 -0.23 0.00 -2.21 0.00 0.00 174.62 171.65 2qgc s ALA 120 N -3.99 1.97 -0.21 11.08 0.00 -1.26 -1.37 121.76 127.97 2qgc s ALA 120 Ca 0.22 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2qgc s ALA 120 Cb 0.07 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.79 2qgc s ALA 120 CO 0.01 0.46 -0.15 0.08 0.00 0.00 0.00 175.76 176.16 2qgc s VAL 121 N -0.73 2.29 -0.16 0.00 1.01 -0.28 -4.99 120.40 117.54 2qgc s VAL 121 Ca 0.09 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2qgc s VAL 121 Cb -0.09 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.20 2qgc s VAL 121 CO 0.01 0.34 -0.18 -0.69 0.00 0.00 0.00 175.10 174.58 2qgc s VAL 122 N 1.26 2.33 0.08 2.92 1.01 -1.26 -0.80 120.40 125.95 2qgc s VAL 122 Ca 0.01 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.18 2qgc s VAL 122 Cb -0.15 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2qgc s VAL 122 CO -0.09 0.53 -0.18 0.42 0.00 0.00 0.00 175.10 175.78 2qgc s THR 123 N 1.00 1.43 -0.34 3.92 -4.23 -0.05 -4.97 115.64 112.40 2qgc s THR 123 Ca -0.02 -1.38 -0.10 0.00 -1.18 0.00 0.00 61.69 59.02 2qgc s THR 123 Cb -0.15 -1.32 0.02 0.00 1.34 0.00 0.00 72.50 72.40 2qgc s THR 123 CO -0.05 -0.09 0.17 0.21 -0.54 0.00 0.00 174.62 174.32 2qgc s ASN 124 N -1.71 5.57 0.00 3.99 3.84 -1.26 -0.65 114.94 124.71 2qgc s ASN 124 Ca 0.03 -0.86 0.11 0.00 0.21 0.00 0.00 52.86 52.35 2qgc s ASN 124 Cb -0.10 -1.98 0.67 0.00 -0.55 0.00 0.00 41.25 39.29 2qgc s ASN 124 CO 0.03 -0.31 1.11 -0.81 -2.79 0.00 0.00 177.10 174.33