#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgd s LEU 12 N 0.00 0.86 0.01 1.53 2.96 -1.26 -0.47 118.68 122.31 2qgd s LEU 12 Ca 0.00 -0.09 0.05 0.00 -0.22 0.00 0.00 54.13 53.87 2qgd s LEU 12 Cb 0.00 -0.42 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 2qgd s LEU 12 CO 0.00 -0.14 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.42 2qgd s MET 13 N 1.57 1.09 -0.07 1.98 -2.45 -0.23 -4.46 119.30 116.73 2qgd s MET 13 Ca -0.01 -0.59 0.05 0.00 -1.25 0.00 0.00 55.69 53.89 2qgd s MET 13 Cb -0.13 -1.07 -0.01 0.00 1.25 0.00 0.00 34.83 34.87 2qgd s MET 13 CO -0.03 0.28 -0.24 0.08 1.05 0.00 0.00 175.02 176.16 2qgd s VAL 14 N -0.50 2.13 -0.05 10.11 1.01 -1.04 -1.10 120.40 130.96 2qgd s VAL 14 Ca 0.04 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.03 2qgd s VAL 14 Cb -0.06 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2qgd s VAL 14 CO 0.00 0.57 -0.15 -0.75 0.00 0.00 0.00 175.10 174.77 2qgd s LYS 15 N -0.03 1.69 -0.05 2.72 2.20 -0.11 -0.82 119.74 125.35 2qgd s LYS 15 Ca -0.08 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.03 2qgd s LYS 15 Cb -0.15 -1.45 0.01 0.00 -1.51 0.00 0.00 37.83 34.74 2qgd s LYS 15 CO 0.05 0.17 -0.09 0.08 -0.36 0.00 0.00 175.35 175.20 2qgd s VAL 16 N 0.22 0.86 0.12 4.02 1.01 -0.03 -0.70 120.40 125.89 2qgd s VAL 16 Ca -0.07 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2qgd s VAL 16 Cb -0.12 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2qgd s VAL 16 CO 0.03 0.29 -0.21 -0.76 0.00 0.00 0.00 175.10 174.45 2qgd s LEU 17 N 0.67 2.33 -0.25 3.92 1.43 -0.11 -0.90 118.68 125.77 2qgd s LEU 17 Ca -0.12 -0.73 -0.05 0.00 -1.03 0.00 0.00 54.13 52.21 2qgd s LEU 17 Cb -0.14 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.19 2qgd s LEU 17 CO 0.02 0.05 0.00 -0.62 0.23 0.00 0.00 176.35 176.03 2qgd s ASP 18 N -2.08 4.64 0.02 2.29 -1.08 0.47 -0.62 116.67 120.31 2qgd s ASP 18 Ca 0.09 -0.59 0.27 0.00 -0.52 0.00 0.00 52.55 51.80 2qgd s ASP 18 Cb -0.09 -1.78 0.84 0.00 -1.46 0.00 0.00 42.92 40.43 2qgd s ASP 18 CO 0.05 -0.10 1.66 0.00 0.52 0.00 0.00 175.17 177.29 2qgd n ALA 19 N 4.80 2.91 -0.01 3.66 0.00 -0.30 -1.22 120.51 130.35 2qgd n ALA 19 Ca -0.16 -0.22 -0.21 0.00 0.00 0.00 0.00 53.44 52.85 2qgd n ALA 19 Cb 0.49 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 2qgd n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qgd h VAL 20 N 0.00 1.03 0.00 0.00 2.07 -1.95 -3.39 116.25 114.01 2qgd h VAL 20 Ca 0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 2qgd h VAL 20 Cb 0.52 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 2qgd h VAL 20 CO 0.00 0.66 -0.93 0.54 0.02 0.00 0.00 177.57 177.86 2qgd n ARG 21 N -3.99 0.08 -2.88 1.57 1.74 -1.25 -5.01 116.66 106.92 2qgd n ARG 21 Ca -0.26 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 56.70 2qgd n ARG 21 Cb 0.86 -1.52 0.06 0.00 -1.02 0.00 0.00 32.46 30.84 2qgd n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qgd n GLY 22 N 1.47 -0.18 3.43 -0.13 0.00 -0.35 -5.03 105.19 104.40 2qgd n GLY 22 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2qgd n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qgd s SER 23 N -3.74 -0.12 0.67 1.61 1.04 -1.01 -5.01 113.70 107.14 2qgd s SER 23 Ca 0.07 -0.65 -0.17 0.00 0.48 0.00 0.00 55.95 55.69 2qgd s SER 23 Cb -0.01 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2qgd s SER 23 CO 0.49 -0.97 1.28 -2.84 0.98 0.00 0.00 173.24 172.18 2qgd s PRO 24 N -3.91 2.40 -0.50 4.02 0.02 -1.26 -0.40 135.00 135.38 2qgd s PRO 24 Ca 0.12 2.03 -0.19 0.00 0.02 0.00 0.00 61.00 62.98 2qgd s PRO 24 Cb 0.01 -1.83 0.05 0.00 0.02 0.00 0.00 34.50 32.75 2qgd s PRO 24 CO -0.02 -1.70 0.60 0.00 -0.33 0.00 0.00 177.00 175.55 2qgd s ALA 25 N -1.50 3.39 -0.00 -1.55 0.00 -0.08 -4.54 121.76 117.47 2qgd s ALA 25 Ca 0.81 -1.72 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 2qgd s ALA 25 Cb -0.36 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 2qgd s ALA 25 CO 0.41 -1.96 0.33 0.42 0.00 0.00 0.00 175.76 174.96 2qgd s ILE 26 N 2.56 5.19 -1.34 0.00 1.01 -1.26 -4.37 121.20 123.00 2qgd s ILE 26 Ca 0.15 0.49 -0.02 0.00 0.00 0.00 0.00 60.65 61.27 2qgd s ILE 26 Cb -0.19 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2qgd s ILE 26 CO 0.12 0.48 0.29 0.59 0.00 0.00 0.00 174.94 176.43 2qgd n ASN 27 N 1.51 -5.16 -4.71 3.58 3.02 -0.40 -4.95 115.26 108.15 2qgd n ASN 27 Ca -0.13 -0.14 -0.39 0.00 -0.03 0.00 0.00 54.58 53.88 2qgd n ASN 27 Cb 0.53 -4.11 -0.05 0.00 -0.61 0.00 0.00 39.78 35.54 2qgd n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qgd s VAL 28 N -2.97 5.09 0.17 2.41 1.01 -1.26 -4.76 120.40 120.08 2qgd s VAL 28 Ca 0.15 1.25 -0.30 0.00 0.00 0.00 0.00 61.98 63.07 2qgd s VAL 28 Cb -0.06 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 2qgd s VAL 28 CO 0.18 0.25 1.09 0.00 0.00 0.00 0.00 175.10 176.62 2qgd s ALA 29 N 0.94 3.36 -0.06 5.51 0.00 -1.26 -1.26 121.76 128.99 2qgd s ALA 29 Ca 0.32 0.80 0.01 0.00 0.00 0.00 0.00 51.96 53.09 2qgd s ALA 29 Cb -0.17 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.63 2qgd s ALA 29 CO 0.14 -0.19 -0.08 0.08 0.00 0.00 0.00 175.76 175.71 2qgd s VAL 30 N -0.22 0.83 -0.08 0.00 1.01 -0.29 -1.06 120.40 120.60 2qgd s VAL 30 Ca 0.49 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.23 2qgd s VAL 30 Cb -0.29 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 2qgd s VAL 30 CO 0.34 0.29 -0.24 -1.00 0.00 0.00 0.00 175.10 174.50 2qgd s HIS 31 N 0.89 2.43 -0.08 5.22 3.76 -0.02 -1.45 115.29 126.04 2qgd s HIS 31 Ca -0.11 -0.86 0.02 0.00 -0.15 0.00 0.00 55.06 53.96 2qgd s HIS 31 Cb -0.15 -1.61 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 2qgd s HIS 31 CO 0.01 -0.31 -0.13 0.08 -0.85 0.00 0.00 174.74 173.54 2qgd s VAL 32 N 0.11 3.15 0.10 -0.90 1.01 0.15 -0.25 120.40 123.77 2qgd s VAL 32 Ca -0.11 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.28 2qgd s VAL 32 Cb -0.16 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2qgd s VAL 32 CO 0.06 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.18 2qgd s PHE 33 N -0.34 1.66 0.01 5.22 0.40 0.39 -0.62 117.98 124.70 2qgd s PHE 33 Ca 0.04 -0.44 0.07 0.00 -0.60 0.00 0.00 56.93 55.99 2qgd s PHE 33 Cb -0.13 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.48 2qgd s PHE 33 CO 0.02 0.19 -0.21 0.50 0.70 0.00 0.00 175.22 176.43 2qgd s ARG 34 N -2.02 2.12 -0.02 0.44 3.52 -0.11 -1.14 118.95 121.73 2qgd s ARG 34 Ca 0.06 -0.94 -0.30 0.00 -0.13 0.00 0.00 55.73 54.42 2qgd s ARG 34 Cb -0.09 -2.16 -0.04 0.00 -1.56 0.00 0.00 34.95 31.11 2qgd s ARG 34 CO 0.04 0.56 1.16 0.21 -0.81 0.00 0.00 175.30 176.46 2qgd s LYS 35 N -1.07 4.40 0.67 5.12 2.20 0.20 -0.61 119.74 130.65 2qgd s LYS 35 Ca 0.12 1.65 -0.03 0.00 -0.36 0.00 0.00 55.97 57.35 2qgd s LYS 35 Cb -0.10 -3.49 0.07 0.00 -1.51 0.00 0.00 37.83 32.80 2qgd s LYS 35 CO 0.02 -0.34 0.94 0.00 -0.36 0.00 0.00 175.35 175.61 2qgd s ALA 36 N 1.74 3.51 0.35 3.13 0.00 -0.04 -4.75 121.76 125.70 2qgd s ALA 36 Ca 0.56 -1.28 0.26 0.00 0.00 0.00 0.00 51.96 51.49 2qgd s ALA 36 Cb -0.25 -2.28 1.29 0.00 0.00 0.00 0.00 23.12 21.89 2qgd s ALA 36 CO 0.24 -1.20 2.00 0.00 0.00 0.00 0.00 175.76 176.81 2qgd h ALA 37 N -0.39 1.23 -0.29 0.00 0.00 -1.96 -0.30 119.26 117.55 2qgd h ALA 37 Ca -0.42 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2qgd h ALA 37 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2qgd h ALA 37 CO 0.51 0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.56 2qgd n ASP 38 N -3.61 1.85 0.00 0.00 5.75 -1.26 -4.92 116.55 114.36 2qgd n ASP 38 Ca -0.01 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 2qgd n ASP 38 Cb 0.29 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2qgd n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2qgd n ASP 39 N 0.37 -2.99 -4.86 -1.12 8.00 -0.12 -5.02 116.55 110.81 2qgd n ASP 39 Ca 0.10 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.29 2qgd n ASP 39 Cb 0.32 -1.62 -0.00 0.00 -0.02 0.00 0.00 41.12 39.80 2qgd n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2qgd s THR 40 N -1.90 4.61 -0.38 -3.53 -4.23 -1.26 -4.78 115.64 104.18 2qgd s THR 40 Ca 0.00 0.99 -0.21 0.00 -1.18 0.00 0.00 61.69 61.30 2qgd s THR 40 Cb 0.00 -3.79 0.01 0.00 1.34 0.00 0.00 72.50 70.05 2qgd s THR 40 CO 0.00 -0.97 0.65 0.26 -0.54 0.00 0.00 174.62 174.03 2qgd s TRP 41 N -2.96 3.12 -0.13 3.99 0.52 -1.26 -0.86 118.94 121.35 2qgd s TRP 41 Ca 0.57 0.27 -0.20 0.00 0.02 0.00 0.00 56.10 56.75 2qgd s TRP 41 Cb -0.11 -3.23 -0.04 0.00 -1.15 0.00 0.00 33.47 28.95 2qgd s TRP 41 CO 0.46 -0.70 0.57 -1.21 0.02 0.00 0.00 176.95 176.08 2qgd s GLU 42 N 2.79 4.32 0.22 4.98 0.41 0.22 -4.90 118.70 126.73 2qgd s GLU 42 Ca 0.25 0.59 -0.31 0.00 -0.41 0.00 0.00 54.97 55.08 2qgd s GLU 42 Cb -0.14 -3.49 -0.15 0.00 -1.78 0.00 0.00 34.13 28.57 2qgd s GLU 42 CO 0.16 0.01 1.14 -2.30 -0.49 0.00 0.00 175.26 173.78 2qgd n PRO 43 N 4.15 1.33 0.00 0.39 -0.02 -1.26 -0.93 135.00 138.65 2qgd n PRO 43 Ca -0.04 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2qgd n PRO 43 Cb 0.51 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2qgd n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qgd n PHE 44 N 1.12 0.00 -3.53 6.00 7.35 0.21 -4.76 117.46 123.86 2qgd n PHE 44 Ca 0.13 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.69 2qgd n PHE 44 Cb 0.28 0.06 -0.05 0.00 0.35 0.00 0.00 39.48 40.12 2qgd n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qgd s ALA 45 N -1.94 -1.82 0.23 3.13 0.00 -0.96 -5.00 121.76 115.40 2qgd s ALA 45 Ca 0.00 1.27 -0.20 0.00 0.00 0.00 0.00 51.96 53.03 2qgd s ALA 45 Cb 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.07 2qgd s ALA 45 CO 0.00 -0.45 0.63 -1.54 0.00 0.00 0.00 175.76 174.40 2qgd s SER 46 N -1.56 -0.30 0.00 0.00 1.04 -1.26 0.32 113.70 111.93 2qgd s SER 46 Ca -0.04 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2qgd s SER 46 Cb -0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2qgd s SER 46 CO 0.01 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.66 2qgd n GLY 47 N -0.41 -1.24 3.20 7.32 0.00 -0.53 -4.99 105.19 108.55 2qgd n GLY 47 Ca -0.08 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 2qgd n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qgd s LYS 48 N -0.06 1.91 0.60 1.61 -0.14 -1.26 -1.14 119.74 121.27 2qgd s LYS 48 Ca 0.00 -0.73 -0.20 0.00 -1.36 0.00 0.00 55.97 53.68 2qgd s LYS 48 Cb 0.00 -1.72 -0.03 0.00 -1.68 0.00 0.00 37.83 34.40 2qgd s LYS 48 CO 0.00 0.36 1.32 0.95 -0.76 0.00 0.00 175.35 177.22 2qgd s THR 49 N -0.23 2.08 0.86 2.17 -4.23 -0.39 -4.79 115.64 111.11 2qgd s THR 49 Ca 0.01 0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.46 2qgd s THR 49 Cb -0.10 -3.02 0.19 0.00 1.34 0.00 0.00 72.50 70.90 2qgd s THR 49 CO 0.01 -0.01 1.17 -1.54 -0.54 0.00 0.00 174.62 173.72 2qgd n SER 50 N -1.53 0.33 0.25 3.99 3.41 0.08 -1.27 113.62 118.87 2qgd n SER 50 Ca 0.14 -1.57 0.18 0.00 -0.26 0.00 0.00 58.87 57.35 2qgd n SER 50 Cb 0.47 -0.87 0.87 0.00 -0.26 0.00 0.00 64.21 64.41 2qgd n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2qgd h GLU 51 N 0.00 0.00 -0.05 4.33 5.08 -1.94 -0.24 114.58 121.75 2qgd h GLU 51 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2qgd h GLU 51 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2qgd h GLU 51 CO 0.29 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.17 2qgd n SER 52 N -3.34 1.52 0.00 1.42 3.41 -1.26 -4.79 113.62 110.59 2qgd n SER 52 Ca 0.01 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 2qgd n SER 52 Cb 0.36 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2qgd n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qgd n GLY 53 N 1.16 0.65 3.64 5.00 0.00 -0.10 -4.79 105.19 110.75 2qgd n GLY 53 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2qgd n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qgd s GLU 54 N -0.02 2.37 -0.24 1.61 2.02 -1.26 -0.85 118.70 122.32 2qgd s GLU 54 Ca 0.00 -0.95 -0.00 0.00 0.02 0.00 0.00 54.97 54.03 2qgd s GLU 54 Cb 0.00 -2.42 0.07 0.00 0.10 0.00 0.00 34.13 31.88 2qgd s GLU 54 CO 0.00 0.51 -0.00 -1.17 0.02 0.00 0.00 175.26 174.62 2qgd s LEU 55 N -2.39 2.29 0.35 1.80 2.96 0.00 -0.74 118.68 122.95 2qgd s LEU 55 Ca 0.24 -1.21 0.07 0.00 -0.22 0.00 0.00 54.13 53.02 2qgd s LEU 55 Cb -0.11 -1.01 -0.02 0.00 0.50 0.00 0.00 46.19 45.55 2qgd s LEU 55 CO 0.17 -0.29 0.33 -1.00 -1.32 0.00 0.00 176.35 174.24 2qgd s HIS 56 N 1.52 2.90 -0.57 5.38 3.76 -1.26 -2.50 115.29 124.51 2qgd s HIS 56 Ca -0.01 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 2qgd s HIS 56 Cb -0.18 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 31.63 2qgd s HIS 56 CO -0.10 0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 2qgd n GLY 57 N -1.44 0.74 0.28 -2.22 0.00 -1.26 -4.93 105.19 96.36 2qgd n GLY 57 Ca -0.01 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 2qgd n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qgd h LEU 58 N 0.00 0.81 0.00 0.99 3.38 -1.85 -3.47 115.31 115.17 2qgd h LEU 58 Ca -0.11 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 2qgd h LEU 58 Cb 0.43 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2qgd h LEU 58 CO 0.16 0.91 0.04 1.07 0.09 0.00 0.00 178.44 180.72 2qgd n THR 59 N -4.18 0.00 -4.46 0.22 5.66 -1.26 -4.80 114.28 105.47 2qgd n THR 59 Ca 0.02 -1.28 -0.23 0.00 -3.05 0.00 0.00 64.05 59.52 2qgd n THR 59 Cb 0.35 0.94 -0.10 0.00 -1.55 0.00 0.00 70.33 69.96 2qgd n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2qgd s THR 60 N -2.52 1.95 0.25 1.09 -4.23 -1.26 -4.51 115.64 106.41 2qgd s THR 60 Ca 0.21 -2.20 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 2qgd s THR 60 Cb -0.02 -2.43 0.23 0.00 1.34 0.00 0.00 72.50 71.61 2qgd s THR 60 CO 0.15 -0.33 1.80 -0.33 -0.54 0.00 0.00 174.62 175.37 2qgd h GLU 61 N 2.24 0.74 -0.91 3.99 5.08 -2.00 -1.83 114.58 121.90 2qgd h GLU 61 Ca -0.40 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 2qgd h GLU 61 Cb 1.24 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 2qgd h GLU 61 CO 0.66 0.49 0.51 1.49 -1.00 0.00 0.00 179.01 181.17 2qgd h GLU 62 N 0.77 1.27 0.00 2.33 4.57 -2.04 -3.10 114.58 118.37 2qgd h GLU 62 Ca 0.42 -0.14 -0.16 0.00 -1.18 0.00 0.00 59.36 58.30 2qgd h GLU 62 Cb 0.45 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2qgd h GLU 62 CO -0.28 0.92 -0.87 0.93 -1.18 0.00 0.00 179.01 178.53 2qgd h GLU 63 N 1.28 0.00 -3.30 1.92 5.08 -1.87 -3.39 114.58 114.29 2qgd h GLU 63 Ca 0.32 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.95 2qgd h GLU 63 Cb 0.01 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.15 2qgd h GLU 63 CO -0.05 0.62 2.49 0.34 -1.00 0.00 0.00 179.01 181.41 2qgd n PHE 64 N -3.20 2.88 -1.68 4.33 7.35 -0.72 -4.97 117.46 121.44 2qgd n PHE 64 Ca -0.02 -2.86 -0.30 0.00 -0.76 0.00 0.00 57.45 53.52 2qgd n PHE 64 Cb 0.83 -2.07 0.07 0.00 0.35 0.00 0.00 39.48 38.66 2qgd n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2qgd s VAL 65 N 0.61 3.32 0.46 -2.13 -7.23 -1.26 -4.96 120.40 109.21 2qgd s VAL 65 Ca 0.47 0.43 -0.24 0.00 -1.81 0.00 0.00 61.98 60.84 2qgd s VAL 65 Cb 0.13 -3.27 -0.09 0.00 0.56 0.00 0.00 36.38 33.71 2qgd s VAL 65 CO -0.04 -0.56 1.17 -0.62 -0.31 0.00 0.00 175.10 174.73 2qgd n GLU 66 N -3.24 1.60 0.00 4.82 1.02 -1.26 -4.87 120.64 118.71 2qgd n GLU 66 Ca 0.07 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 2qgd n GLU 66 Cb 0.56 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 2qgd n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qgd n GLY 67 N 0.97 -0.88 3.67 0.62 0.00 -1.13 -4.98 105.19 103.47 2qgd n GLY 67 Ca 0.09 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 2qgd n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qgd s ILE 68 N -2.00 5.17 0.12 -0.61 1.01 -1.26 -0.92 121.20 122.71 2qgd s ILE 68 Ca 0.00 0.11 0.10 0.00 0.00 0.00 0.00 60.65 60.85 2qgd s ILE 68 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2qgd s ILE 68 CO 0.00 0.42 -0.24 -0.31 0.00 0.00 0.00 174.94 174.81 2qgd s TYR 69 N 0.59 2.05 -0.09 3.97 1.51 -0.14 -0.63 117.35 124.62 2qgd s TYR 69 Ca 0.06 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 2qgd s TYR 69 Cb -0.12 -1.11 0.01 0.00 -0.11 0.00 0.00 41.96 40.63 2qgd s TYR 69 CO 0.01 0.29 -0.16 0.21 -1.11 0.00 0.00 175.55 174.79 2qgd s LYS 70 N -2.06 2.19 -0.31 -0.62 2.20 -0.30 -1.43 119.74 119.40 2qgd s LYS 70 Ca 0.11 -0.57 -0.07 0.00 -0.36 0.00 0.00 55.97 55.08 2qgd s LYS 70 Cb -0.10 -1.79 0.02 0.00 -1.51 0.00 0.00 37.83 34.45 2qgd s LYS 70 CO 0.05 0.01 0.10 0.08 -0.36 0.00 0.00 175.35 175.24 2qgd s VAL 71 N 0.76 4.00 -0.21 4.02 1.01 0.28 -0.46 120.40 129.80 2qgd s VAL 71 Ca -0.12 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 2qgd s VAL 71 Cb -0.16 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2qgd s VAL 71 CO 0.02 0.00 0.08 -1.61 0.00 0.00 0.00 175.10 173.59 2qgd s GLU 72 N 1.49 3.88 -0.18 2.72 2.02 0.65 -0.62 118.70 128.67 2qgd s GLU 72 Ca 0.02 -0.38 -0.02 0.00 0.02 0.00 0.00 54.97 54.60 2qgd s GLU 72 Cb -0.18 -3.29 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 2qgd s GLU 72 CO 0.03 0.09 -0.08 0.42 0.02 0.00 0.00 175.26 175.74 2qgd s ILE 73 N 0.87 3.29 -1.37 -1.63 1.01 0.60 -0.84 121.20 123.13 2qgd s ILE 73 Ca 0.04 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.01 2qgd s ILE 73 Cb -0.14 -2.44 0.09 0.00 0.01 0.00 0.00 42.46 39.98 2qgd s ILE 73 CO 0.03 0.48 2.00 -0.67 0.00 0.00 0.00 174.94 176.77 2qgd n ASP 74 N 4.12 4.48 0.02 3.58 2.03 -0.22 -1.54 116.55 129.02 2qgd n ASP 74 Ca -0.18 -2.95 -0.02 0.00 0.52 0.00 0.00 54.79 52.16 2qgd n ASP 74 Cb 0.52 -1.61 0.25 0.00 -0.72 0.00 0.00 41.12 39.56 2qgd n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2qgd h THR 75 N 4.14 1.24 -0.44 5.18 1.35 -1.87 -3.11 112.91 119.41 2qgd h THR 75 Ca 0.48 -1.08 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 2qgd h THR 75 Cb 0.68 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 2qgd h THR 75 CO 1.71 0.35 0.20 0.50 -0.25 0.00 0.00 175.52 178.03 2qgd h LYS 76 N 0.44 0.64 -0.43 4.72 3.64 -1.75 -2.13 116.57 121.69 2qgd h LYS 76 Ca 0.08 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2qgd h LYS 76 Cb 0.54 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2qgd h LYS 76 CO 0.03 0.57 0.09 0.77 -2.27 0.00 0.00 179.45 178.64 2qgd h SER 77 N 0.57 0.61 0.13 4.20 0.02 -1.87 -1.19 113.55 116.01 2qgd h SER 77 Ca 0.15 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2qgd h SER 77 Cb 0.15 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2qgd h SER 77 CO -0.02 0.62 -0.06 0.22 -1.14 0.00 0.00 176.83 176.45 2qgd h TYR 78 N 0.64 -0.16 -0.56 3.45 3.20 -1.39 -1.30 116.97 120.85 2qgd h TYR 78 Ca 0.14 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.90 2qgd h TYR 78 Cb 0.26 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 2qgd h TYR 78 CO 0.01 -0.07 -0.07 -1.49 -1.64 0.00 0.00 178.16 174.90 2qgd h TRP 79 N -0.21 1.15 -0.51 -3.82 4.06 -1.22 -2.83 115.95 112.57 2qgd h TRP 79 Ca -0.02 -0.22 -0.04 0.00 2.06 0.00 0.00 58.89 60.67 2qgd h TRP 79 Cb 0.16 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.01 2qgd h TRP 79 CO -0.06 1.05 0.17 0.87 -3.56 0.00 0.00 178.44 176.90 2qgd h LYS 80 N 0.92 0.76 0.00 0.49 1.57 -1.12 -0.95 116.57 118.24 2qgd h LYS 80 Ca 0.15 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2qgd h LYS 80 Cb 0.63 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2qgd h LYS 80 CO 0.04 0.65 -0.17 0.00 -0.57 0.00 0.00 179.45 179.41 2qgd h ALA 81 N 1.44 1.50 -0.01 3.86 0.00 -0.99 -0.82 119.26 124.23 2qgd h ALA 81 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qgd h ALA 81 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qgd h ALA 81 CO -0.01 0.21 -0.05 1.28 0.00 0.00 0.00 179.25 180.69 2qgd n LEU 82 N -4.01 0.92 -0.39 0.00 4.77 -0.45 -4.94 117.00 112.90 2qgd n LEU 82 Ca -0.02 -0.27 -0.04 0.00 -0.03 0.00 0.00 56.01 55.65 2qgd n LEU 82 Cb 0.25 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2qgd n LEU 82 CO 0.34 0.16 -0.05 0.61 -1.33 0.00 0.00 177.39 177.12 2qgd n GLY 83 N 1.17 0.50 3.41 -0.72 0.00 -0.31 -5.05 105.19 104.18 2qgd n GLY 83 Ca 0.19 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 2qgd n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qgd s ILE 84 N -2.18 2.97 -0.27 -0.61 1.01 -0.66 -5.01 121.20 116.45 2qgd s ILE 84 Ca 0.00 -0.72 -0.25 0.00 0.00 0.00 0.00 60.65 59.68 2qgd s ILE 84 Cb 0.00 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2qgd s ILE 84 CO 0.00 0.56 0.87 -0.55 0.00 0.00 0.00 174.94 175.81 2qgd s SER 85 N -0.14 6.81 0.35 3.58 0.15 -1.26 -3.46 113.70 119.73 2qgd s SER 85 Ca -0.01 0.95 0.05 0.00 0.70 0.00 0.00 55.95 57.64 2qgd s SER 85 Cb -0.14 -2.45 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 2qgd s SER 85 CO 0.03 -0.61 0.50 -2.16 1.20 0.00 0.00 173.24 172.20 2qgd s PRO 86 N 3.02 3.12 -0.16 5.44 0.04 -1.26 -4.88 135.00 140.31 2qgd s PRO 86 Ca 0.36 -0.92 -0.24 0.00 0.04 0.00 0.00 61.00 60.25 2qgd s PRO 86 Cb -0.14 -2.78 -0.23 0.00 0.04 0.00 0.00 34.50 31.38 2qgd s PRO 86 CO 0.10 0.02 0.51 0.35 0.04 0.00 0.00 177.00 178.02 2qgd h PHE 87 N 0.82 0.08 -3.63 0.56 3.57 -1.40 -3.48 116.94 113.46 2qgd h PHE 87 Ca -0.46 -0.06 -0.51 0.00 3.53 0.00 0.00 57.97 60.48 2qgd h PHE 87 Cb 1.25 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 2qgd h PHE 87 CO 0.43 1.30 0.03 -1.01 -2.23 0.00 0.00 178.31 176.82 2qgd s HIS 88 N -2.32 3.39 0.26 0.41 3.76 -1.26 -4.97 115.29 114.56 2qgd s HIS 88 Ca -0.23 1.10 0.03 0.00 -0.15 0.00 0.00 55.06 55.81 2qgd s HIS 88 Cb 0.02 -2.44 0.33 0.00 1.11 0.00 0.00 32.58 31.60 2qgd s HIS 88 CO 0.66 0.15 1.65 0.93 -0.85 0.00 0.00 174.74 177.28 2qgd h GLU 89 N 2.34 0.40 -1.99 1.40 4.39 -1.98 -3.38 114.58 115.76 2qgd h GLU 89 Ca -0.48 -0.20 0.29 0.00 0.34 0.00 0.00 59.36 59.32 2qgd h GLU 89 Cb 1.17 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.74 2qgd h GLU 89 CO 0.67 0.74 0.78 -3.38 -1.16 0.00 0.00 179.01 176.66 2qgd s HIS 90 N -4.19 -0.00 -0.10 4.33 -3.43 -1.26 -3.95 115.29 106.69 2qgd s HIS 90 Ca -0.06 -0.18 0.03 0.00 -0.80 0.00 0.00 55.06 54.05 2qgd s HIS 90 Cb 0.13 0.59 -0.01 0.00 -1.43 0.00 0.00 32.58 31.86 2qgd s HIS 90 CO 0.80 -0.44 -0.20 0.00 -2.00 0.00 0.00 174.74 172.89 2qgd s ALA 91 N -2.29 2.33 0.04 -1.38 0.00 -0.59 -4.89 121.76 114.99 2qgd s ALA 91 Ca 0.21 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.29 2qgd s ALA 91 Cb 0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 2qgd s ALA 91 CO -0.00 0.31 -0.22 -1.21 0.00 0.00 0.00 175.76 174.64 2qgd s GLU 92 N 0.20 1.51 -0.16 0.00 2.02 -1.26 -0.29 118.70 120.71 2qgd s GLU 92 Ca -0.12 -0.97 -0.00 0.00 0.02 0.00 0.00 54.97 53.90 2qgd s GLU 92 Cb -0.16 -1.62 0.03 0.00 0.10 0.00 0.00 34.13 32.48 2qgd s GLU 92 CO 0.07 0.42 -0.08 0.08 0.02 0.00 0.00 175.26 175.76 2qgd s VAL 93 N -0.78 1.27 -0.11 2.63 1.01 0.21 -4.97 120.40 119.66 2qgd s VAL 93 Ca 0.08 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2qgd s VAL 93 Cb -0.09 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.95 2qgd s VAL 93 CO 0.02 0.25 -0.21 -0.69 0.00 0.00 0.00 175.10 174.46 2qgd s VAL 94 N 1.58 1.91 0.13 2.92 1.01 -1.26 -0.56 120.40 126.14 2qgd s VAL 94 Ca 0.02 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 2qgd s VAL 94 Cb -0.14 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2qgd s VAL 94 CO -0.08 0.52 0.41 0.72 0.00 0.00 0.00 175.10 176.67 2qgd s PHE 95 N 0.62 -0.21 -0.19 5.22 -0.71 -0.52 -5.00 117.98 117.19 2qgd s PHE 95 Ca -0.13 -0.10 -0.11 0.00 -1.04 0.00 0.00 56.93 55.55 2qgd s PHE 95 Cb -0.17 0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 41.87 2qgd s PHE 95 CO 0.03 -0.71 0.18 0.99 -1.34 0.00 0.00 175.22 174.37 2qgd s THR 96 N -3.80 5.38 -0.11 -4.49 2.01 -1.26 -0.96 115.64 112.40 2qgd s THR 96 Ca 0.03 0.31 -0.25 0.00 0.31 0.00 0.00 61.69 62.09 2qgd s THR 96 Cb 0.02 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 2qgd s THR 96 CO -0.12 0.43 0.81 0.00 -0.69 0.00 0.00 174.62 175.04 2qgd s ALA 97 N 0.37 3.41 -0.07 7.40 0.00 -0.10 -4.98 121.76 127.80 2qgd s ALA 97 Ca 0.11 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.21 2qgd s ALA 97 Cb -0.12 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.87 2qgd s ALA 97 CO 0.00 -0.41 -0.09 1.21 0.00 0.00 0.00 175.76 176.47 2qgd s ASN 98 N 1.02 1.65 0.40 0.00 2.47 -1.26 -2.82 114.94 116.41 2qgd s ASN 98 Ca 0.40 -0.25 0.21 0.00 0.42 0.00 0.00 52.86 53.63 2qgd s ASN 98 Cb -0.18 -0.73 0.79 0.00 -1.45 0.00 0.00 41.25 39.69 2qgd s ASN 98 CO 0.16 -0.03 1.78 0.44 -3.72 0.00 0.00 177.10 175.74 2qgd h ASP 99 N 7.30 0.00 0.12 -4.21 3.32 -1.97 -2.92 116.42 118.07 2qgd h ASP 99 Ca -0.32 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.74 2qgd h ASP 99 Cb 1.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 2qgd h ASP 99 CO 0.45 0.31 -0.14 0.77 -1.72 0.00 0.00 179.24 178.91 2qgd h SER 100 N 0.00 -0.39 -3.05 6.45 4.64 -2.04 -3.44 113.55 115.72 2qgd h SER 100 Ca -0.00 0.04 -0.40 0.00 -0.47 0.00 0.00 61.79 60.96 2qgd h SER 100 Cb 0.82 0.14 0.22 0.00 -0.31 0.00 0.00 62.40 63.26 2qgd h SER 100 CO 0.04 -0.22 -0.10 -0.83 -0.87 0.00 0.00 176.83 174.85 2qgd s GLY 101 N -2.31 1.44 1.06 -0.77 0.00 -1.10 -5.00 107.32 100.63 2qgd s GLY 101 Ca -0.15 -0.60 -0.12 0.00 0.00 0.00 0.00 44.72 43.86 2qgd s GLY 101 CO 0.65 0.34 1.07 -4.14 0.00 0.00 0.00 173.10 171.03 2qgd s PRO 102 N -4.85 -0.09 -0.01 2.90 0.02 -1.26 -4.97 135.00 126.74 2qgd s PRO 102 Ca 0.68 1.08 0.20 0.00 0.02 0.00 0.00 61.00 62.99 2qgd s PRO 102 Cb -0.17 -1.63 -0.22 0.00 0.02 0.00 0.00 34.50 32.49 2qgd s PRO 102 CO 0.60 -3.24 0.56 0.54 -0.33 0.00 0.00 177.00 175.13 2qgd n ARG 103 N -4.61 0.65 -4.75 5.54 5.12 -0.45 -4.73 116.66 113.43 2qgd n ARG 103 Ca 0.06 -0.01 -0.33 0.00 -1.93 0.00 0.00 57.85 55.65 2qgd n ARG 103 Cb 0.54 -1.64 -0.13 0.00 -1.16 0.00 0.00 32.46 30.07 2qgd n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2qgd s ARG 104 N -3.13 3.12 -0.15 5.56 0.52 -0.04 -4.76 118.95 120.07 2qgd s ARG 104 Ca -0.06 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 2qgd s ARG 104 Cb 0.10 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.98 2qgd s ARG 104 CO 0.85 0.37 -0.18 0.71 0.02 0.00 0.00 175.30 177.08 2qgd s TYR 105 N -0.06 2.74 -0.19 -0.53 1.51 0.38 -1.33 117.35 119.87 2qgd s TYR 105 Ca -0.02 -1.21 -0.04 0.00 -1.01 0.00 0.00 57.07 54.80 2qgd s TYR 105 Cb -0.14 -1.87 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 2qgd s TYR 105 CO 0.04 -0.56 -0.04 0.99 -1.11 0.00 0.00 175.55 174.86 2qgd s THR 106 N 0.87 3.55 -0.31 -0.71 2.01 0.15 -1.06 115.64 120.15 2qgd s THR 106 Ca -0.05 -0.45 -0.09 0.00 0.31 0.00 0.00 61.69 61.41 2qgd s THR 106 Cb -0.15 -2.59 -0.00 0.00 0.01 0.00 0.00 72.50 69.76 2qgd s THR 106 CO -0.02 0.45 0.15 -0.63 -0.69 0.00 0.00 174.62 173.88 2qgd s ILE 107 N 1.05 4.54 -0.01 1.82 -1.09 -0.26 -1.04 121.20 126.21 2qgd s ILE 107 Ca 0.01 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 57.99 2qgd s ILE 107 Cb -0.15 -3.33 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 2qgd s ILE 107 CO 0.00 0.05 -0.09 0.00 -1.23 0.00 0.00 174.94 173.67 2qgd s ALA 108 N 1.60 2.91 -0.04 9.38 0.00 -0.51 -0.93 121.76 134.17 2qgd s ALA 108 Ca 0.04 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.01 2qgd s ALA 108 Cb -0.17 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 21.88 2qgd s ALA 108 CO 0.06 0.59 -0.06 0.00 0.00 0.00 0.00 175.76 176.35 2qgd s ALA 109 N -0.91 0.73 -0.24 0.00 0.00 0.12 -1.74 121.76 119.73 2qgd s ALA 109 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 2qgd s ALA 109 Cb -0.11 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.66 2qgd s ALA 109 CO 0.05 0.06 -0.04 -1.17 0.00 0.00 0.00 175.76 174.66 2qgd s LEU 110 N 0.57 3.14 -0.13 0.00 2.96 0.15 -0.93 118.68 124.44 2qgd s LEU 110 Ca -0.08 -0.66 -0.05 0.00 -0.22 0.00 0.00 54.13 53.12 2qgd s LEU 110 Cb -0.12 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2qgd s LEU 110 CO 0.01 -0.09 0.05 -0.76 -1.32 0.00 0.00 176.35 174.23 2qgd s LEU 111 N 1.41 3.79 0.21 -0.68 1.43 0.21 -1.49 118.68 123.56 2qgd s LEU 111 Ca 0.03 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 2qgd s LEU 111 Cb -0.16 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 2qgd s LEU 111 CO -0.03 0.30 -0.04 -0.44 0.23 0.00 0.00 176.35 176.37 2qgd s SER 112 N -0.41 1.94 0.29 2.29 0.01 0.09 -1.15 113.70 116.76 2qgd s SER 112 Ca 0.09 -1.15 0.01 0.00 1.31 0.00 0.00 55.95 56.20 2qgd s SER 112 Cb -0.12 -0.02 0.53 0.00 0.21 0.00 0.00 66.02 66.62 2qgd s SER 112 CO 0.02 -0.43 1.89 -0.65 0.41 0.00 0.00 173.24 174.48 2qgd h PRO 113 N 2.54 1.00 -0.17 12.44 0.11 -1.99 -2.96 132.00 142.96 2qgd h PRO 113 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2qgd h PRO 113 Cb 1.22 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2qgd h PRO 113 CO 0.64 0.66 0.00 0.66 -0.21 0.00 0.00 178.00 179.76 2qgd n TYR 114 N -4.52 0.46 -3.55 0.65 4.02 -1.26 -0.95 117.16 112.01 2qgd n TYR 114 Ca 0.15 -0.77 -0.16 0.00 -0.01 0.00 0.00 57.90 57.11 2qgd n TYR 114 Cb 0.24 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.33 2qgd n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2qgd s SER 115 N -1.83 -0.55 0.04 7.72 1.04 -1.12 -4.97 113.70 114.02 2qgd s SER 115 Ca 0.29 0.47 -0.09 0.00 0.48 0.00 0.00 55.95 57.10 2qgd s SER 115 Cb 0.23 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.86 2qgd s SER 115 CO 0.07 -0.64 0.18 -0.72 0.98 0.00 0.00 173.24 173.11 2qgd s TYR 116 N -1.69 0.08 0.02 5.02 -0.85 -1.26 -0.73 117.35 117.94 2qgd s TYR 116 Ca -0.09 -0.31 0.08 0.00 -0.52 0.00 0.00 57.07 56.23 2qgd s TYR 116 Cb -0.01 -0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.26 2qgd s TYR 116 CO 0.05 -0.41 -0.24 -1.12 -1.52 0.00 0.00 175.55 172.30 2qgd s SER 117 N -2.08 2.87 0.02 -0.18 0.01 -0.56 -4.99 113.70 108.80 2qgd s SER 117 Ca -0.05 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2qgd s SER 117 Cb -0.01 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 2qgd s SER 117 CO -0.04 0.25 -0.05 0.28 0.41 0.00 0.00 173.24 174.09 2qgd s THR 118 N -0.70 0.36 0.08 1.44 -1.32 -1.26 -0.68 115.64 113.56 2qgd s THR 118 Ca 0.10 -0.76 -0.03 0.00 -1.21 0.00 0.00 61.69 59.79 2qgd s THR 118 Cb -0.09 -0.41 -0.03 0.00 -1.51 0.00 0.00 72.50 70.45 2qgd s THR 118 CO 0.01 -0.27 0.05 0.28 -2.21 0.00 0.00 174.62 172.48 2qgd s THR 119 N -1.01 0.17 -0.09 5.08 -1.32 -0.71 -5.01 115.64 112.75 2qgd s THR 119 Ca -0.08 -1.70 0.02 0.00 -1.21 0.00 0.00 61.69 58.71 2qgd s THR 119 Cb -0.07 -1.65 -0.02 0.00 -1.51 0.00 0.00 72.50 69.25 2qgd s THR 119 CO -0.00 -0.76 -0.14 0.00 -2.21 0.00 0.00 174.62 171.51 2qgd s ALA 120 N -3.95 2.63 -0.26 11.08 0.00 -1.26 -1.42 121.76 128.59 2qgd s ALA 120 Ca 0.12 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.15 2qgd s ALA 120 Cb 0.07 -1.10 0.05 0.00 0.00 0.00 0.00 23.12 22.14 2qgd s ALA 120 CO -0.06 0.39 -0.08 0.08 0.00 0.00 0.00 175.76 176.08 2qgd s VAL 121 N -0.14 2.49 -0.22 0.00 1.01 -0.21 -4.98 120.40 118.34 2qgd s VAL 121 Ca -0.01 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 60.59 2qgd s VAL 121 Cb -0.14 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.90 2qgd s VAL 121 CO 0.03 0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 174.34 2qgd s VAL 122 N 1.20 2.11 0.13 2.92 1.01 -1.26 -0.67 120.40 125.83 2qgd s VAL 122 Ca -0.05 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.65 2qgd s VAL 122 Cb -0.19 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2qgd s VAL 122 CO -0.05 0.23 -0.10 0.42 0.00 0.00 0.00 175.10 175.61 2qgd s THR 123 N 1.19 1.05 -1.24 3.92 -4.23 -0.44 -4.82 115.64 111.08 2qgd s THR 123 Ca -0.03 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 58.62 2qgd s THR 123 Cb -0.17 -1.74 0.08 0.00 1.34 0.00 0.00 72.50 72.01 2qgd s THR 123 CO -0.09 -0.73 0.81 0.59 -0.54 0.00 0.00 174.62 174.66