#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgx n VAL 3 N 0.00 1.47 0.20 -3.33 0.31 -1.26 -3.77 118.33 111.95 2qgx n VAL 3 Ca 0.00 -0.72 -0.15 0.00 -0.01 0.00 0.00 64.34 63.46 2qgx n VAL 3 Cb 0.00 -0.98 -0.08 0.00 -0.91 0.00 0.00 33.84 31.87 2qgx n VAL 3 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2qgx h GLN 4 N 0.00 -0.46 -0.68 5.55 1.08 -2.03 0.32 115.11 118.90 2qgx h GLN 4 Ca -0.53 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.68 2qgx h GLN 4 Cb 2.08 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 29.58 2qgx h GLN 4 CO -0.01 -0.24 0.36 0.00 -0.95 0.00 0.00 178.83 177.99 2qgx h ALA 5 N 0.03 1.37 -0.11 3.87 0.00 -1.90 -1.20 119.26 121.30 2qgx h ALA 5 Ca -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2qgx h ALA 5 Cb 0.43 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qgx h ALA 5 CO 0.08 0.52 0.00 1.15 0.00 0.00 0.00 179.25 181.00 2qgx h THR 6 N 0.95 1.25 -0.69 0.00 2.02 -1.61 -1.82 112.91 113.00 2qgx h THR 6 Ca 0.24 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 2qgx h THR 6 Cb 0.03 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 2qgx h THR 6 CO -0.04 0.23 0.15 -0.78 0.37 0.00 0.00 175.52 175.45 2qgx h ASP 7 N -0.07 1.07 -0.55 4.18 3.58 -0.75 -2.43 116.42 121.45 2qgx h ASP 7 Ca 0.03 -0.24 -0.04 0.00 0.42 0.00 0.00 57.03 57.20 2qgx h ASP 7 Cb 0.35 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 2qgx h ASP 7 CO 0.01 1.04 0.22 -0.09 -2.88 0.00 0.00 179.24 177.53 2qgx h ARG 8 N 1.05 0.87 -0.41 0.28 9.65 -1.18 -2.11 114.38 122.52 2qgx h ARG 8 Ca 0.21 -0.14 -0.14 0.00 -1.10 0.00 0.00 59.98 58.81 2qgx h ARG 8 Cb 0.40 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 2qgx h ARG 8 CO 0.01 0.72 -0.29 -0.07 2.80 0.00 0.00 179.97 183.14 2qgx h LEU 9 N 0.85 0.97 -0.73 3.80 3.38 -1.00 -2.47 115.31 120.11 2qgx h LEU 9 Ca 0.20 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 2qgx h LEU 9 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2qgx h LEU 9 CO -0.02 1.19 -0.59 0.24 0.09 0.00 0.00 178.44 179.35 2qgx h MET 10 N 0.75 0.14 -0.43 1.13 2.86 -1.30 -2.49 114.93 115.59 2qgx h MET 10 Ca 0.08 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2qgx h MET 10 Cb 0.88 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 2qgx h MET 10 CO 0.08 0.69 0.13 -0.22 1.06 0.00 0.00 176.91 178.65 2qgx h LYS 11 N 0.10 0.68 -0.87 1.72 3.64 -1.32 -2.21 116.57 118.31 2qgx h LYS 11 Ca -0.01 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 2qgx h LYS 11 Cb 1.08 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.76 2qgx h LYS 11 CO 0.09 0.67 0.48 0.93 -2.27 0.00 0.00 179.45 179.35 2qgx h GLU 12 N 0.56 1.20 -0.00 1.90 4.39 -1.26 -1.24 114.58 120.13 2qgx h GLU 12 Ca 0.14 -0.13 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 2qgx h GLU 12 Cb 0.28 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2qgx h GLU 12 CO -0.00 0.87 -0.90 1.25 -1.16 0.00 0.00 179.01 179.07 2qgx h LEU 13 N 1.21 0.41 -0.34 1.33 6.46 -1.33 -1.91 115.31 121.13 2qgx h LEU 13 Ca 0.31 -0.33 -0.17 0.00 -0.12 0.00 0.00 57.88 57.57 2qgx h LEU 13 Cb 0.01 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 2qgx h LEU 13 CO -0.05 1.13 -0.80 0.03 -0.62 0.00 0.00 178.44 178.12 2qgx h ARG 14 N 0.18 0.00 0.19 1.25 3.08 -1.31 -1.49 114.38 116.28 2qgx h ARG 14 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2qgx h ARG 14 Cb 1.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 2qgx h ARG 14 CO 0.15 0.80 -0.17 -0.44 -1.07 0.00 0.00 179.97 179.25 2qgx h ASP 15 N 0.00 -0.44 -0.86 7.04 3.32 -1.15 -2.52 116.42 121.82 2qgx h ASP 15 Ca -0.01 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.17 2qgx h ASP 15 Cb 1.45 0.15 -0.07 0.00 0.22 0.00 0.00 39.33 41.08 2qgx h ASP 15 CO 0.10 -0.26 0.51 0.40 -1.72 0.00 0.00 179.24 178.28 2qgx h ILE 16 N -0.38 0.94 0.00 0.35 2.04 -1.21 -0.49 117.51 118.78 2qgx h ILE 16 Ca -0.00 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2qgx h ILE 16 Cb 0.35 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2qgx h ILE 16 CO -0.03 0.16 -0.09 1.88 0.00 0.00 0.00 178.15 180.07 2qgx h TYR 17 N 0.86 0.00 -0.06 1.37 0.05 -1.05 -2.57 116.97 115.57 2qgx h TYR 17 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.18 2qgx h TYR 17 Cb 0.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.07 2qgx h TYR 17 CO -0.05 0.09 0.00 0.54 -1.05 0.00 0.00 178.16 177.69 2qgx n ARG 18 N -3.38 1.32 -2.64 4.88 1.74 -0.58 -4.82 116.66 113.17 2qgx n ARG 18 Ca -0.01 -1.51 -0.33 0.00 -0.77 0.00 0.00 57.85 55.23 2qgx n ARG 18 Cb 0.26 -1.30 -0.05 0.00 -1.02 0.00 0.00 32.46 30.35 2qgx n ARG 18 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2qgx s SER 19 N -1.26 6.60 0.40 0.55 1.04 -0.30 -4.96 113.70 115.77 2qgx s SER 19 Ca 0.19 1.80 0.21 0.00 0.48 0.00 0.00 55.95 58.63 2qgx s SER 19 Cb 0.13 -2.55 0.72 0.00 0.10 0.00 0.00 66.02 64.43 2qgx s SER 19 CO 0.20 -0.60 1.74 1.56 0.98 0.00 0.00 173.24 177.12 2qgx h GLN 20 N 1.65 0.00 -0.28 4.02 1.08 -1.91 -1.64 115.11 118.02 2qgx h GLN 20 Ca -0.49 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.68 2qgx h GLN 20 Cb 1.20 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 2qgx h GLN 20 CO 0.60 0.32 0.07 0.66 -0.95 0.00 0.00 178.83 179.53 2qgx h SER 21 N 0.00 0.43 0.42 1.46 4.64 -1.92 -0.46 113.55 118.11 2qgx h SER 21 Ca -0.00 -0.23 -0.14 0.00 -0.47 0.00 0.00 61.79 60.95 2qgx h SER 21 Cb 0.88 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 2qgx h SER 21 CO 0.04 0.55 -0.59 0.15 -0.87 0.00 0.00 176.83 176.11 2qgx h PHE 22 N 0.29 0.22 0.00 4.77 3.57 -1.74 -1.84 116.94 122.20 2qgx h PHE 22 Ca 0.09 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 2qgx h PHE 22 Cb 0.28 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2qgx h PHE 22 CO 0.01 0.71 -0.33 0.87 -2.23 0.00 0.00 178.31 177.34 2qgx h LYS 23 N 0.13 0.00 -0.00 1.11 1.79 -1.11 -2.73 116.57 115.76 2qgx h LYS 23 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2qgx h LYS 23 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2qgx h LYS 23 CO 0.09 0.33 -0.25 0.41 -1.08 0.00 0.00 179.45 178.95 2qgx n GLY 24 N 0.12 -1.16 1.60 3.86 0.00 -0.20 -4.93 105.19 104.48 2qgx n GLY 24 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2qgx n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qgx n GLY 25 N 1.43 0.67 0.16 -0.02 0.00 -1.03 -4.97 105.19 101.43 2qgx n GLY 25 Ca 0.09 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.38 2qgx n GLY 25 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qgx h ASN 26 N 0.00 0.00 -4.74 1.61 4.21 -1.55 -3.34 115.58 111.77 2qgx h ASN 26 Ca 0.00 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.54 2qgx h ASN 26 Cb 0.68 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 37.72 2qgx h ASN 26 CO 0.00 0.51 0.36 -0.72 -1.29 0.00 0.00 177.43 176.29 2qgx s TYR 27 N -3.82 -0.47 0.06 1.19 -0.85 -1.26 0.52 117.35 112.72 2qgx s TYR 27 Ca -0.02 0.48 0.09 0.00 -0.52 0.00 0.00 57.07 57.11 2qgx s TYR 27 Cb 0.13 0.51 -0.03 0.00 0.38 0.00 0.00 41.96 42.95 2qgx s TYR 27 CO 0.74 -0.62 -0.26 0.00 -1.52 0.00 0.00 175.55 173.90 2qgx s ALA 28 N -2.65 2.19 -0.14 9.51 0.00 -0.28 -4.75 121.76 125.64 2qgx s ALA 28 Ca -0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 2qgx s ALA 28 Cb -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 2qgx s ALA 28 CO -0.05 0.51 -0.12 0.08 0.00 0.00 0.00 175.76 176.18 2qgx s VAL 29 N -0.85 3.10 -0.08 0.00 1.01 -1.26 -1.01 120.40 121.31 2qgx s VAL 29 Ca 0.11 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2qgx s VAL 29 Cb -0.10 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.99 2qgx s VAL 29 CO 0.03 0.51 -0.02 -0.70 0.00 0.00 0.00 175.10 174.92 2qgx s GLU 30 N 0.51 0.84 -0.49 2.72 2.12 -0.07 -5.00 118.70 119.33 2qgx s GLU 30 Ca -0.08 0.02 -0.28 0.00 0.36 0.00 0.00 54.97 54.98 2qgx s GLU 30 Cb -0.16 -1.13 0.01 0.00 0.26 0.00 0.00 34.13 33.11 2qgx s GLU 30 CO 0.04 -0.29 1.45 -0.51 -0.54 0.00 0.00 175.26 175.40 2qgx s LEU 31 N 1.91 3.48 -0.12 2.70 1.43 -1.26 0.02 118.68 126.84 2qgx s LEU 31 Ca 0.05 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 53.40 2qgx s LEU 31 Cb -0.12 -3.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 2qgx s LEU 31 CO -0.06 -1.63 1.79 0.54 0.23 0.00 0.00 176.35 177.22 2qgx s VAL 32 N 5.97 3.41 -1.07 -1.59 0.11 -0.82 -2.02 120.40 124.40 2qgx s VAL 32 Ca 0.58 0.48 -0.04 0.00 -2.93 0.00 0.00 61.98 60.07 2qgx s VAL 32 Cb -0.12 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 2qgx s VAL 32 CO 0.28 -0.12 0.51 0.59 -3.33 0.00 0.00 175.10 173.03 2qgx n ASN 33 N 8.34 -4.86 0.00 3.54 3.02 -1.26 -2.53 115.26 121.51 2qgx n ASN 33 Ca 0.20 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2qgx n ASN 33 Cb 0.44 -3.66 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 2qgx n ASN 33 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qgx n ASP 34 N -1.34 -2.78 -4.71 6.41 8.00 -0.85 -4.92 116.55 116.35 2qgx n ASP 34 Ca -0.06 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 2qgx n ASP 34 Cb 0.58 -2.57 -0.03 0.00 -0.02 0.00 0.00 41.12 39.08 2qgx n ASP 34 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2qgx s SER 35 N -2.08 6.99 0.08 -2.24 0.15 -1.05 -4.89 113.70 110.66 2qgx s SER 35 Ca 0.00 2.11 0.28 0.00 0.70 0.00 0.00 55.95 59.04 2qgx s SER 35 Cb 0.00 -2.58 1.03 0.00 -1.71 0.00 0.00 66.02 62.76 2qgx s SER 35 CO 0.00 -0.53 1.84 -0.11 1.20 0.00 0.00 173.24 175.63 2qgx n LEU 36 N 3.98 0.34 -1.03 3.45 -0.00 -1.26 -3.50 117.00 118.98 2qgx n LEU 36 Ca 0.10 0.50 0.09 0.00 -0.00 0.00 0.00 56.01 56.70 2qgx n LEU 36 Cb 0.45 -0.41 0.24 0.00 -0.00 0.00 0.00 43.42 43.70 2qgx n LEU 36 CO 0.57 -0.06 0.70 -1.22 -0.00 0.00 0.00 177.39 177.37 2qgx n TYR 37 N -1.79 0.71 -3.38 1.96 4.01 -1.26 -4.83 117.16 112.58 2qgx n TYR 37 Ca 0.06 -0.47 -0.13 0.00 -0.16 0.00 0.00 57.90 57.20 2qgx n TYR 37 Cb 0.38 -0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 39.30 2qgx n TYR 37 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2qgx s ASP 38 N -1.03 0.96 -0.12 7.72 3.68 -1.23 -1.69 116.67 124.96 2qgx s ASP 38 Ca 0.37 -0.30 -0.04 0.00 2.13 0.00 0.00 52.55 54.70 2qgx s ASP 38 Cb 0.19 0.78 -0.04 0.00 -1.45 0.00 0.00 42.92 42.41 2qgx s ASP 38 CO 0.26 -0.35 0.03 0.26 0.13 0.00 0.00 175.17 175.50 2qgx s TRP 39 N 2.44 3.22 -0.30 -5.34 0.52 -0.08 -1.94 118.94 117.46 2qgx s TRP 39 Ca 0.10 0.14 -0.12 0.00 0.02 0.00 0.00 56.10 56.25 2qgx s TRP 39 Cb -0.14 -1.90 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 2qgx s TRP 39 CO -0.24 0.36 0.20 -0.80 0.02 0.00 0.00 176.95 176.50 2qgx s ASN 40 N -0.43 5.98 -0.26 2.95 -0.87 0.10 0.10 114.94 122.51 2qgx s ASN 40 Ca 0.09 -0.21 -0.04 0.00 -1.57 0.00 0.00 52.86 51.13 2qgx s ASN 40 Cb -0.12 -2.11 0.01 0.00 -0.02 0.00 0.00 41.25 39.01 2qgx s ASN 40 CO 0.02 -0.13 -0.01 -0.69 -2.57 0.00 0.00 177.10 173.71 2qgx s VAL 41 N 1.73 3.30 -0.48 1.60 1.01 0.21 -0.89 120.40 126.87 2qgx s VAL 41 Ca 0.06 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 2qgx s VAL 41 Cb -0.17 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.61 2qgx s VAL 41 CO 0.10 0.20 0.65 -0.54 0.00 0.00 0.00 175.10 175.51 2qgx s LYS 42 N 1.41 3.19 0.05 2.72 1.02 -0.18 0.32 119.74 128.27 2qgx s LYS 42 Ca 0.02 -0.65 -0.31 0.00 0.02 0.00 0.00 55.97 55.06 2qgx s LYS 42 Cb -0.16 -4.03 -0.08 0.00 -0.52 0.00 0.00 37.83 33.04 2qgx s LYS 42 CO -0.02 -1.15 1.61 -0.51 -0.92 0.00 0.00 175.35 174.36 2qgx s LEU 43 N 2.78 4.35 -0.10 3.17 1.43 0.71 -1.13 118.68 129.90 2qgx s LEU 43 Ca 0.19 2.41 -0.07 0.00 -1.03 0.00 0.00 54.13 55.63 2qgx s LEU 43 Cb -0.17 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 2qgx s LEU 43 CO 0.15 -0.86 -0.16 -0.11 0.23 0.00 0.00 176.35 175.60 2qgx n LEU 44 N 5.63 1.04 -2.87 1.79 7.94 0.18 -1.43 117.00 129.29 2qgx n LEU 44 Ca 0.15 0.17 -0.09 0.00 -1.11 0.00 0.00 56.01 55.13 2qgx n LEU 44 Cb 0.41 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 43.96 2qgx n LEU 44 CO 0.62 0.04 0.06 2.29 -1.11 0.00 0.00 177.39 179.29 2qgx n LYS 45 N -3.66 0.57 -0.24 1.96 -0.00 -1.08 -4.82 118.16 110.90 2qgx n LYS 45 Ca -0.20 -2.18 0.08 0.00 -0.00 0.00 0.00 58.31 56.02 2qgx n LYS 45 Cb 0.55 -1.48 0.13 0.00 -0.00 0.00 0.00 35.03 34.24 2qgx n LYS 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qgx n VAL 46 N 2.46 1.66 -3.47 0.58 0.31 -1.26 -4.70 118.33 113.90 2qgx n VAL 46 Ca 0.17 -2.11 -0.43 0.00 -0.01 0.00 0.00 64.34 61.97 2qgx n VAL 46 Cb 0.57 -0.12 -0.07 0.00 -0.91 0.00 0.00 33.84 33.31 2qgx n VAL 46 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2qgx s ASP 47 N -2.68 5.87 0.02 4.52 -0.00 -1.26 -4.85 116.67 118.29 2qgx s ASP 47 Ca 0.29 -1.80 -0.12 0.00 -0.00 0.00 0.00 52.55 50.92 2qgx s ASP 47 Cb 0.26 -2.08 -0.07 0.00 -0.00 0.00 0.00 42.92 41.04 2qgx s ASP 47 CO 0.01 -0.73 1.14 0.06 -0.00 0.00 0.00 175.17 175.65 2qgx h GLN 48 N 8.60 -0.42 -1.49 8.23 3.07 -1.98 -3.39 115.11 127.74 2qgx h GLN 48 Ca -0.25 0.03 -0.43 0.00 0.09 0.00 0.00 58.65 58.09 2qgx h GLN 48 Cb 1.08 0.09 -0.40 0.00 0.08 0.00 0.00 27.48 28.34 2qgx h GLN 48 CO 0.91 -0.28 -1.14 -0.25 0.09 0.00 0.00 178.83 178.16 2qgx n ASP 49 N -3.20 1.58 -4.61 0.06 8.00 -1.26 -5.10 116.55 112.02 2qgx n ASP 49 Ca -0.05 -2.94 -0.23 0.00 0.71 0.00 0.00 54.79 52.27 2qgx n ASP 49 Cb 0.17 -0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 40.63 2qgx n ASP 49 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2qgx s SER 50 N -2.90 4.35 0.33 -2.24 1.04 -1.26 -5.00 113.70 108.01 2qgx s SER 50 Ca 0.35 -0.72 0.18 0.00 0.48 0.00 0.00 55.95 56.24 2qgx s SER 50 Cb 0.40 -0.74 0.16 0.00 0.10 0.00 0.00 66.02 65.95 2qgx s SER 50 CO -0.03 0.01 1.48 0.00 0.98 0.00 0.00 173.24 175.68 2qgx h ALA 51 N 1.99 0.79 -0.80 5.32 0.00 -1.94 -3.22 119.26 121.39 2qgx h ALA 51 Ca -0.43 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2qgx h ALA 51 Cb 1.25 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2qgx h ALA 51 CO 0.60 0.39 0.51 1.25 0.00 0.00 0.00 179.25 182.00 2qgx h LEU 52 N 0.00 0.94 -0.10 0.00 5.85 -1.92 0.18 115.31 120.26 2qgx h LEU 52 Ca -0.01 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2qgx h LEU 52 Cb 1.24 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2qgx h LEU 52 CO 0.04 0.71 -0.22 -0.74 -0.34 0.00 0.00 178.44 177.88 2qgx h HIS 53 N 1.10 -0.67 -0.24 1.25 2.76 -1.87 0.60 115.15 118.07 2qgx h HIS 53 Ca 0.29 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.56 2qgx h HIS 53 Cb -0.09 0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2qgx h HIS 53 CO -0.01 -0.21 0.17 -0.91 -1.30 0.00 0.00 177.93 175.67 2qgx h ASN 54 N -0.20 0.00 -0.01 3.26 2.35 -1.66 -1.21 115.58 118.10 2qgx h ASN 54 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2qgx h ASN 54 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 2qgx h ASN 54 CO -0.20 0.00 0.00 -0.67 -1.65 0.00 0.00 177.43 174.91 2qgx n ASP 55 N -4.45 1.62 -0.03 5.81 -0.08 0.60 -3.57 116.55 116.45 2qgx n ASP 55 Ca 0.03 -2.02 -0.06 0.00 -1.51 0.00 0.00 54.79 51.22 2qgx n ASP 55 Cb 0.32 -0.50 -0.02 0.00 2.34 0.00 0.00 41.12 43.26 2qgx n ASP 55 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2qgx n LEU 56 N 0.13 0.76 0.22 -2.67 4.77 -0.46 -4.58 117.00 115.18 2qgx n LEU 56 Ca 0.01 0.06 0.15 0.00 -0.03 0.00 0.00 56.01 56.19 2qgx n LEU 56 Cb 0.34 -0.17 0.79 0.00 -2.33 0.00 0.00 43.42 42.04 2qgx n LEU 56 CO 0.01 0.18 0.95 1.56 -1.33 0.00 0.00 177.39 178.76 2qgx h GLN 57 N -0.18 0.00 -0.31 3.23 7.50 -1.67 -1.00 115.11 122.68 2qgx h GLN 57 Ca -0.14 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 58.96 2qgx h GLN 57 Cb 1.14 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.65 2qgx h GLN 57 CO -0.08 0.00 -0.01 0.97 -1.50 0.00 0.00 178.83 178.21 2qgx h ILE 58 N 0.00 1.19 0.36 2.54 6.09 -1.81 -2.79 117.51 123.09 2qgx h ILE 58 Ca 0.00 -0.76 -0.02 0.00 -1.37 0.00 0.00 64.86 62.71 2qgx h ILE 58 Cb 0.03 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.29 2qgx h ILE 58 CO 0.00 0.26 -0.17 -0.07 -3.07 0.00 0.00 178.15 175.10 2qgx h LEU 59 N 0.46 -0.41 0.00 2.19 3.38 -1.44 0.12 115.31 119.61 2qgx h LEU 59 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qgx h LEU 59 Cb 0.32 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2qgx h LEU 59 CO 0.01 -0.15 0.00 2.29 0.09 0.00 0.00 178.44 180.68 2qgx n LYS 60 N -5.22 0.07 -0.07 1.13 2.85 -1.20 0.12 118.16 115.84 2qgx n LYS 60 Ca -0.10 0.27 0.06 0.00 -1.05 0.00 0.00 58.31 57.49 2qgx n LYS 60 Cb 0.25 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.23 2qgx n LYS 60 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2qgx n GLU 61 N -1.37 1.51 0.01 -1.58 2.13 -0.74 -4.75 120.64 115.85 2qgx n GLU 61 Ca 0.03 -1.57 0.00 0.00 0.66 0.00 0.00 57.16 56.29 2qgx n GLU 61 Cb 0.08 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.53 2qgx n GLU 61 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2qgx n LYS 62 N 0.68 0.00 -3.54 5.31 3.00 0.35 -5.02 118.16 118.94 2qgx n LYS 62 Ca 0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.18 2qgx n LYS 62 Cb 0.36 -0.02 -0.15 0.00 0.00 0.00 0.00 35.03 35.23 2qgx n LYS 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2qgx s GLU 63 N -1.08 0.14 1.48 1.64 -1.05 0.33 -5.05 118.70 115.11 2qgx s GLU 63 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.81 2qgx s GLU 63 Cb 0.00 -1.44 0.00 0.00 -0.44 0.00 0.00 34.13 32.25 2qgx s GLU 63 CO 0.00 -0.72 0.00 0.41 0.95 0.00 0.00 175.26 175.90 2qgx n GLY 64 N 5.29 0.83 2.68 -3.83 0.00 -1.19 -4.43 105.19 104.56 2qgx n GLY 64 Ca -0.06 -1.31 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 2qgx n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qgx n ALA 65 N 3.71 0.38 -3.59 4.61 0.00 -1.26 -3.59 120.51 120.76 2qgx n ALA 65 Ca 0.00 -1.67 -0.35 0.00 0.00 0.00 0.00 53.44 51.41 2qgx n ALA 65 Cb 0.00 1.01 -0.13 0.00 0.00 0.00 0.00 19.45 20.32 2qgx n ALA 65 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2qgx s ASP 66 N -3.04 4.96 0.00 0.00 -4.77 -1.26 -3.64 116.67 108.92 2qgx s ASP 66 Ca 0.07 -1.29 0.00 0.00 -3.30 0.00 0.00 52.55 48.03 2qgx s ASP 66 Cb 0.00 -1.74 0.00 0.00 -1.09 0.00 0.00 42.92 40.10 2qgx s ASP 66 CO 0.05 -0.28 0.00 2.22 0.70 0.00 0.00 175.17 177.86 2qgx n PHE 67 N 4.65 0.00 -3.17 2.11 1.16 -1.26 -4.89 117.46 116.05 2qgx n PHE 67 Ca -0.13 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.03 2qgx n PHE 67 Cb 0.43 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.23 2qgx n PHE 67 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2qgx s ILE 68 N -1.52 4.92 -0.42 1.97 1.01 -0.51 -4.43 121.20 122.21 2qgx s ILE 68 Ca 0.00 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.56 2qgx s ILE 68 Cb 0.00 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.39 2qgx s ILE 68 CO 0.00 -0.44 0.96 -0.22 0.00 0.00 0.00 174.94 175.24 2qgx s LEU 69 N 2.60 3.95 0.14 2.97 2.96 0.13 -0.21 118.68 131.22 2qgx s LEU 69 Ca 0.20 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 2qgx s LEU 69 Cb -0.15 -3.28 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 2qgx s LEU 69 CO 0.16 -0.99 0.27 -0.76 -1.32 0.00 0.00 176.35 173.71 2qgx s LEU 70 N 3.73 4.33 -0.18 -0.68 1.43 0.15 -0.86 118.68 126.60 2qgx s LEU 70 Ca 0.39 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 2qgx s LEU 70 Cb -0.10 -2.90 0.04 0.00 0.03 0.00 0.00 46.19 43.25 2qgx s LEU 70 CO 0.24 0.07 -0.09 0.21 0.23 0.00 0.00 176.35 177.00 2qgx s ASN 71 N -3.13 3.05 -0.15 2.29 2.47 -0.07 -0.62 114.94 118.77 2qgx s ASN 71 Ca 0.34 -0.72 -0.12 0.00 0.42 0.00 0.00 52.86 52.78 2qgx s ASN 71 Cb -0.11 -1.12 -0.05 0.00 -1.45 0.00 0.00 41.25 38.52 2qgx s ASN 71 CO 0.28 -0.14 0.24 -0.36 -3.72 0.00 0.00 177.10 173.41 2qgx s PHE 72 N 1.49 3.49 -0.20 0.43 0.40 0.12 -2.05 117.98 121.66 2qgx s PHE 72 Ca 0.01 0.56 0.01 0.00 -0.60 0.00 0.00 56.93 56.91 2qgx s PHE 72 Cb -0.15 -2.24 0.04 0.00 0.51 0.00 0.00 43.02 41.18 2qgx s PHE 72 CO -0.09 0.36 -0.10 -1.12 0.70 0.00 0.00 175.22 174.97 2qgx s SER 73 N 0.09 3.47 -0.04 1.36 0.01 -0.64 -0.90 113.70 117.04 2qgx s SER 73 Ca 0.15 -0.92 0.19 0.00 1.31 0.00 0.00 55.95 56.68 2qgx s SER 73 Cb -0.13 -1.25 0.62 0.00 0.21 0.00 0.00 66.02 65.48 2qgx s SER 73 CO 0.03 -0.15 1.53 0.49 0.41 0.00 0.00 173.24 175.55 2qgx n PHE 74 N 4.67 1.08 1.10 2.43 3.01 -0.68 -1.48 117.46 127.60 2qgx n PHE 74 Ca -0.15 -0.55 0.13 0.00 1.01 0.00 0.00 57.45 57.90 2qgx n PHE 74 Cb 0.46 -0.09 0.64 0.00 -0.01 0.00 0.00 39.48 40.48 2qgx n PHE 74 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2qgx n LYS 75 N 1.27 0.17 -3.41 -1.08 3.00 -1.26 -4.11 118.16 112.75 2qgx n LYS 75 Ca 0.23 0.03 -0.43 0.00 -0.00 0.00 0.00 58.31 58.14 2qgx n LYS 75 Cb 0.69 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 34.21 2qgx n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2qgx s ASP 76 N -2.82 7.02 0.00 3.14 -0.00 -1.26 -4.79 116.67 117.96 2qgx s ASP 76 Ca 0.19 -3.63 0.00 0.00 -0.00 0.00 0.00 52.55 49.11 2qgx s ASP 76 Cb 0.18 -2.14 0.00 0.00 -0.00 0.00 0.00 42.92 40.96 2qgx s ASP 76 CO 0.47 -0.26 0.00 0.59 -0.00 0.00 0.00 175.17 175.97 2qgx n ASN 77 N 2.61 -2.33 -4.76 0.27 3.02 -1.26 -4.57 115.26 108.24 2qgx n ASN 77 Ca 0.23 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.39 2qgx n ASN 77 Cb 0.39 -2.31 0.01 0.00 -0.61 0.00 0.00 39.78 37.25 2qgx n ASN 77 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2qgx s PHE 78 N -1.49 2.65 -2.17 3.10 5.36 -1.23 0.08 117.98 124.28 2qgx s PHE 78 Ca 0.00 1.40 0.30 0.00 -0.96 0.00 0.00 56.93 57.66 2qgx s PHE 78 Cb 0.00 -3.70 1.43 0.00 -0.34 0.00 0.00 43.02 40.41 2qgx s PHE 78 CO 0.00 -2.32 1.96 -2.30 -1.46 0.00 0.00 175.22 171.11 2qgx n PRO 79 N -0.26 1.25 0.15 10.12 -0.02 -1.26 -4.84 135.00 140.14 2qgx n PRO 79 Ca 0.06 -0.46 -0.16 0.00 -2.02 0.00 0.00 63.50 60.91 2qgx n PRO 79 Cb 0.44 -1.49 -0.10 0.00 -0.02 0.00 0.00 33.50 32.34 2qgx n PRO 79 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2qgx h PHE 80 N 1.13 -1.45 -1.94 6.00 0.04 -0.72 -3.39 116.94 116.61 2qgx h PHE 80 Ca 0.00 0.03 -0.43 0.00 2.80 0.00 0.00 57.97 60.37 2qgx h PHE 80 Cb 0.27 0.60 0.02 0.00 2.20 0.00 0.00 35.95 39.05 2qgx h PHE 80 CO 0.00 -0.59 -0.21 -0.51 -0.60 0.00 0.00 178.31 176.40 2qgx s ASP 81 N -4.48 5.68 0.98 2.17 1.01 0.53 -4.81 116.67 117.75 2qgx s ASP 81 Ca -0.16 -0.18 -0.12 0.00 0.71 0.00 0.00 52.55 52.80 2qgx s ASP 81 Cb 0.05 -0.97 0.18 0.00 1.01 0.00 0.00 42.92 43.19 2qgx s ASP 81 CO 0.58 -0.75 1.08 -2.84 0.21 0.00 0.00 175.17 173.45 2qgx s PRO 82 N -4.42 0.53 0.50 8.23 0.02 -1.26 -3.55 135.00 135.04 2qgx s PRO 82 Ca 0.52 0.78 -0.18 0.00 0.02 0.00 0.00 61.00 62.14 2qgx s PRO 82 Cb -0.10 -1.73 -0.08 0.00 0.02 0.00 0.00 34.50 32.61 2qgx s PRO 82 CO 0.34 -2.73 0.99 -2.14 -0.33 0.00 0.00 177.00 173.14 2qgx s PRO 83 N -4.83 3.93 -0.60 5.54 0.02 -1.26 -4.49 135.00 133.31 2qgx s PRO 83 Ca 0.65 1.08 -0.22 0.00 0.02 0.00 0.00 61.00 62.53 2qgx s PRO 83 Cb -0.20 -2.13 0.06 0.00 0.02 0.00 0.00 34.50 32.25 2qgx s PRO 83 CO 0.59 -0.29 0.90 0.12 -0.33 0.00 0.00 177.00 177.98 2qgx s PHE 84 N -2.40 2.78 0.01 6.54 5.36 -0.55 -4.89 117.98 124.83 2qgx s PHE 84 Ca 0.61 -0.39 -0.05 0.00 -0.96 0.00 0.00 56.93 56.15 2qgx s PHE 84 Cb -0.11 -4.10 -0.04 0.00 -0.34 0.00 0.00 43.02 38.43 2qgx s PHE 84 CO 0.25 -1.45 0.23 0.08 -1.46 0.00 0.00 175.22 172.88 2qgx s VAL 85 N 3.75 5.36 0.15 3.12 1.01 -1.26 -1.61 120.40 130.92 2qgx s VAL 85 Ca 0.23 -0.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 2qgx s VAL 85 Cb -0.16 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2qgx s VAL 85 CO 0.13 0.33 0.39 0.00 0.00 0.00 0.00 175.10 175.95 2qgx s ARG 86 N -1.89 1.14 -0.22 2.72 1.70 -0.87 -4.20 118.95 117.32 2qgx s ARG 86 Ca 0.28 -0.85 -0.13 0.00 -0.47 0.00 0.00 55.73 54.55 2qgx s ARG 86 Cb -0.13 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 2qgx s ARG 86 CO 0.18 -0.44 0.28 0.08 -1.08 0.00 0.00 175.30 174.31 2qgx s VAL 87 N -3.86 5.28 -0.16 4.99 1.01 0.89 -0.90 120.40 127.66 2qgx s VAL 87 Ca 0.07 0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.40 2qgx s VAL 87 Cb 0.02 -3.62 -0.23 0.00 0.00 0.00 0.00 36.38 32.55 2qgx s VAL 87 CO -0.08 0.30 0.27 0.52 0.00 0.00 0.00 175.10 176.12 2qgx n VAL 88 N 4.27 1.70 -3.58 2.92 0.31 -0.04 -4.50 118.33 119.41 2qgx n VAL 88 Ca -0.12 -0.49 -0.11 0.00 -0.01 0.00 0.00 64.34 63.62 2qgx n VAL 88 Cb 0.52 -1.80 -0.05 0.00 -0.91 0.00 0.00 33.84 31.60 2qgx n VAL 88 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2qgx s SER 89 N -6.98 -0.38 0.72 4.52 1.04 -1.20 -4.77 113.70 106.66 2qgx s SER 89 Ca -0.25 0.42 -0.05 0.00 0.48 0.00 0.00 55.95 56.55 2qgx s SER 89 Cb 0.07 0.33 0.09 0.00 0.10 0.00 0.00 66.02 66.61 2qgx s SER 89 CO 0.71 -0.34 1.01 -2.16 0.98 0.00 0.00 173.24 173.44 2qgx s PRO 90 N -1.06 1.91 0.31 4.02 0.05 -1.26 0.20 135.00 139.17 2qgx s PRO 90 Ca -0.02 -0.58 -0.30 0.00 0.05 0.00 0.00 61.00 60.15 2qgx s PRO 90 Cb -0.01 -2.22 -0.11 0.00 0.05 0.00 0.00 34.50 32.21 2qgx s PRO 90 CO 0.01 -1.37 1.60 0.08 0.05 0.00 0.00 177.00 177.37 2qgx s VAL 91 N -3.23 2.01 0.01 -0.36 1.01 -1.26 -4.97 120.40 113.61 2qgx s VAL 91 Ca 0.63 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.66 2qgx s VAL 91 Cb -0.08 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 2qgx s VAL 91 CO 0.45 0.00 -0.13 -0.76 0.00 0.00 0.00 175.10 174.66 2qgx s LEU 92 N -0.69 2.09 -0.11 3.92 1.43 -1.26 -1.92 118.68 122.14 2qgx s LEU 92 Ca 0.62 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.37 2qgx s LEU 92 Cb -0.48 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 2qgx s LEU 92 CO 0.50 0.10 -0.00 -0.44 0.23 0.00 0.00 176.35 176.74 2qgx s SER 93 N -0.66 5.16 0.22 2.29 0.01 0.38 -4.87 113.70 116.23 2qgx s SER 93 Ca 0.03 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2qgx s SER 93 Cb -0.06 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.60 2qgx s SER 93 CO 0.00 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.58 2qgx n GLY 94 N 2.56 -0.28 2.53 3.44 0.00 -1.26 -1.82 105.19 110.36 2qgx n GLY 94 Ca -0.18 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 2qgx n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qgx n GLY 95 N 0.00 1.08 3.11 -0.02 0.00 -0.38 -1.82 105.19 107.16 2qgx n GLY 95 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qgx n GLY 95 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qgx n TYR 96 N -2.99 0.00 -2.34 1.61 4.01 -1.26 -4.34 117.16 111.84 2qgx n TYR 96 Ca -0.22 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.10 2qgx n TYR 96 Cb 0.69 -1.50 -0.03 0.00 -0.31 0.00 0.00 39.34 38.18 2qgx n TYR 96 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qgx s VAL 97 N -1.30 3.70 0.65 -0.72 1.01 -0.76 -0.76 120.40 122.22 2qgx s VAL 97 Ca 0.00 1.28 0.04 0.00 0.00 0.00 0.00 61.98 63.30 2qgx s VAL 97 Cb 0.00 -3.82 0.11 0.00 0.00 0.00 0.00 36.38 32.67 2qgx s VAL 97 CO 0.00 0.13 0.90 -0.76 0.00 0.00 0.00 175.10 175.37 2qgx s LEU 98 N 0.64 3.05 0.42 3.92 1.43 0.14 -4.71 118.68 123.58 2qgx s LEU 98 Ca 0.58 -0.56 -0.26 0.00 -1.03 0.00 0.00 54.13 52.86 2qgx s LEU 98 Cb -0.32 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 2qgx s LEU 98 CO 0.32 -1.61 1.44 -0.83 0.23 0.00 0.00 176.35 175.90 2qgx s GLY 99 N -4.69 2.93 0.00 -3.19 0.00 -1.26 -2.19 107.32 98.91 2qgx s GLY 99 Ca 0.64 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.85 2qgx s GLY 99 CO 0.42 2.13 0.00 0.61 0.00 0.00 0.00 173.10 176.26 2qgx n GLY 100 N 0.54 3.10 0.00 0.20 0.00 -1.26 -3.79 105.19 103.98 2qgx n GLY 100 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2qgx n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qgx n GLY 101 N -2.00 0.92 3.67 -0.02 0.00 -0.93 -2.55 105.19 104.28 2qgx n GLY 101 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2qgx n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qgx n ALA 102 N -0.63 -0.30 -3.65 4.61 0.00 -1.25 -0.08 120.51 119.20 2qgx n ALA 102 Ca 0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 53.44 52.74 2qgx n ALA 102 Cb 0.00 -2.20 -0.15 0.00 0.00 0.00 0.00 19.45 17.09 2qgx n ALA 102 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qgx s ILE 103 N -2.18 2.58 -1.39 0.00 1.01 -1.26 0.29 121.20 120.25 2qgx s ILE 103 Ca 0.72 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 60.45 2qgx s ILE 103 Cb -0.28 -2.10 0.08 0.00 0.01 0.00 0.00 42.46 40.16 2qgx s ILE 103 CO 0.53 0.51 2.05 0.00 0.00 0.00 0.00 174.94 178.03 2qgx s MET 105 N 2.71 3.04 0.39 0.00 0.00 -1.26 -4.91 119.30 119.28 2qgx s MET 105 Ca 0.46 -0.73 0.14 0.00 0.00 0.00 0.00 55.69 55.56 2qgx s MET 105 Cb 0.11 -2.48 0.99 0.00 0.00 0.00 0.00 34.83 33.44 2qgx s MET 105 CO -0.04 0.33 1.86 1.49 0.00 0.00 0.00 175.02 178.67 2qgx h GLU 106 N 6.28 0.49 -0.54 4.11 4.57 -1.97 -1.50 114.58 126.03 2qgx h GLU 106 Ca -0.31 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 2qgx h GLU 106 Cb 1.20 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.65 2qgx h GLU 106 CO 0.52 0.33 0.23 1.25 -1.18 0.00 0.00 179.01 180.16 2qgx h LEU 107 N 0.51 0.69 -2.32 1.64 5.85 -1.95 -2.15 115.31 117.58 2qgx h LEU 107 Ca 0.46 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 59.01 2qgx h LEU 107 Cb 0.99 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 2qgx h LEU 107 CO -0.19 0.61 0.12 0.18 -0.34 0.00 0.00 178.44 178.82 2qgx n LEU 108 N -4.35 3.54 -4.56 2.25 7.99 -0.56 -2.48 117.00 118.83 2qgx n LEU 108 Ca 0.04 -1.82 -0.26 0.00 -0.01 0.00 0.00 56.01 53.97 2qgx n LEU 108 Cb 0.15 -0.59 -0.11 0.00 -0.11 0.00 0.00 43.42 42.75 2qgx n LEU 108 CO 0.38 0.55 -0.30 0.42 -1.51 0.00 0.00 177.39 176.93 2qgx s THR 109 N -1.36 1.79 0.26 -5.08 -4.23 -0.81 -4.89 115.64 101.32 2qgx s THR 109 Ca 0.19 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 2qgx s THR 109 Cb 0.16 -2.87 0.08 0.00 1.34 0.00 0.00 72.50 71.20 2qgx s THR 109 CO 0.05 -0.04 1.72 0.07 -0.54 0.00 0.00 174.62 175.87 2qgx h LYS 110 N 1.92 0.70 0.00 3.99 2.10 -1.89 0.20 116.57 123.59 2qgx h LYS 110 Ca -0.43 -0.23 0.00 0.00 -2.00 0.00 0.00 60.65 58.00 2qgx h LYS 110 Cb 1.24 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2qgx h LYS 110 CO 0.76 0.80 0.00 1.96 -2.00 0.00 0.00 179.45 180.97 2qgx h GLN 111 N 0.63 0.00 0.00 0.07 7.50 -1.95 -3.37 115.11 117.99 2qgx h GLN 111 Ca 0.11 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 58.93 2qgx h GLN 111 Cb 0.58 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.06 2qgx h GLN 111 CO 0.04 0.00 -2.10 0.41 -1.50 0.00 0.00 178.83 175.67 2qgx n GLY 112 N 0.81 -0.31 3.75 3.46 0.00 -1.06 -5.03 105.19 106.82 2qgx n GLY 112 Ca 0.03 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 2qgx n GLY 112 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qgx s TRP 113 N -2.36 2.41 -0.05 1.61 -0.11 0.68 -4.82 118.94 116.30 2qgx s TRP 113 Ca -0.27 1.39 -0.02 0.00 1.22 0.00 0.00 56.10 58.42 2qgx s TRP 113 Cb 0.10 -3.73 0.03 0.00 -1.50 0.00 0.00 33.47 28.37 2qgx s TRP 113 CO 0.36 -2.65 0.10 -1.54 -4.62 0.00 0.00 176.95 168.60 2qgx s SER 114 N -0.99 -0.04 0.00 5.86 1.04 -1.26 -4.91 113.70 113.40 2qgx s SER 114 Ca 0.69 0.19 0.01 0.00 0.48 0.00 0.00 55.95 57.33 2qgx s SER 114 Cb -0.39 0.10 0.09 0.00 0.10 0.00 0.00 66.02 65.92 2qgx s SER 114 CO 0.46 -0.13 0.41 -1.54 0.98 0.00 0.00 173.24 173.43 2qgx n SER 115 N 4.06 0.00 -0.02 7.02 3.41 -1.26 -1.44 113.62 125.39 2qgx n SER 115 Ca -0.25 -0.10 -0.09 0.00 -0.26 0.00 0.00 58.87 58.17 2qgx n SER 115 Cb 0.52 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.33 2qgx n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qgx h ALA 116 N 1.76 0.76 -2.37 7.33 0.00 -1.95 -3.48 119.26 121.31 2qgx h ALA 116 Ca 0.00 -1.45 -0.52 0.00 0.00 0.00 0.00 54.91 52.94 2qgx h ALA 116 Cb 0.00 0.46 0.17 0.00 0.00 0.00 0.00 17.79 18.43 2qgx h ALA 116 CO 0.00 1.58 0.28 0.71 0.00 0.00 0.00 179.25 181.82 2qgx s TYR 117 N -2.60 1.93 0.19 0.00 2.02 -0.52 -5.03 117.35 113.33 2qgx s TYR 117 Ca -0.04 1.70 0.03 0.00 -0.37 0.00 0.00 57.07 58.39 2qgx s TYR 117 Cb 0.08 -3.30 -0.03 0.00 -0.40 0.00 0.00 41.96 38.31 2qgx s TYR 117 CO 0.82 -2.53 0.33 -1.54 -1.57 0.00 0.00 175.55 171.06 2qgx s SER 118 N -2.71 6.33 0.37 2.29 1.04 -1.26 -5.00 113.70 114.77 2qgx s SER 118 Ca 0.67 0.15 0.12 0.00 0.48 0.00 0.00 55.95 57.37 2qgx s SER 118 Cb -0.23 -1.90 0.73 0.00 0.10 0.00 0.00 66.02 64.72 2qgx s SER 118 CO 0.55 -0.01 1.85 0.40 0.98 0.00 0.00 173.24 177.00 2qgx h ILE 119 N 1.43 1.24 -0.22 -1.02 1.08 -1.96 -1.84 117.51 116.22 2qgx h ILE 119 Ca -0.50 -1.14 0.00 0.00 -0.39 0.00 0.00 64.86 62.83 2qgx h ILE 119 Cb 1.21 1.56 -0.01 0.00 -3.07 0.00 0.00 36.82 36.51 2qgx h ILE 119 CO 0.66 0.33 0.15 -0.08 -0.69 0.00 0.00 178.15 178.51 2qgx h GLU 120 N 0.06 0.30 -0.32 2.37 4.81 -1.95 0.81 114.58 120.66 2qgx h GLU 120 Ca 0.01 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2qgx h GLU 120 Cb 0.59 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2qgx h GLU 120 CO 0.04 0.20 -0.03 0.66 -0.73 0.00 0.00 179.01 179.16 2qgx h SER 121 N 0.30 0.48 -0.70 1.04 4.64 -1.89 -1.31 113.55 116.11 2qgx h SER 121 Ca 0.08 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 2qgx h SER 121 Cb -0.03 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 2qgx h SER 121 CO -0.02 0.57 0.16 0.58 -0.87 0.00 0.00 176.83 177.26 2qgx h VAL 122 N 0.49 1.26 0.30 0.95 2.07 -0.73 0.66 116.25 121.25 2qgx h VAL 122 Ca 0.10 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2qgx h VAL 122 Cb 0.37 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2qgx h VAL 122 CO 0.01 0.38 -0.14 0.40 0.02 0.00 0.00 177.57 178.24 2qgx h ILE 123 N 1.07 0.74 -0.06 4.57 2.04 -0.22 -1.77 117.51 123.87 2qgx h ILE 123 Ca 0.22 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 2qgx h ILE 123 Cb 0.39 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2qgx h ILE 123 CO 0.00 0.10 -0.23 0.24 0.00 0.00 0.00 178.15 178.26 2qgx h MET 124 N -0.65 0.10 -0.18 2.37 2.86 -1.25 -2.29 114.93 115.89 2qgx h MET 124 Ca -0.04 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.41 2qgx h MET 124 Cb 0.46 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2qgx h MET 124 CO 0.07 0.33 -0.54 0.37 1.06 0.00 0.00 176.91 178.20 2qgx h GLN 125 N 0.10 0.53 -0.31 1.72 4.15 -0.81 -1.82 115.11 118.67 2qgx h GLN 125 Ca 0.02 -0.33 -0.10 0.00 0.77 0.00 0.00 58.65 59.01 2qgx h GLN 125 Cb 0.47 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 2qgx h GLN 125 CO 0.03 0.94 -0.21 0.82 -1.93 0.00 0.00 178.83 178.48 2qgx h ILE 126 N 0.41 1.26 -0.03 2.39 2.04 -0.92 -0.59 117.51 122.08 2qgx h ILE 126 Ca 0.01 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.63 2qgx h ILE 126 Cb 1.08 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2qgx h ILE 126 CO 0.10 0.40 0.02 0.28 0.00 0.00 0.00 178.15 178.95 2qgx h SER 127 N 0.51 0.03 -0.09 1.72 0.02 -1.20 -1.14 113.55 113.41 2qgx h SER 127 Ca 0.08 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2qgx h SER 127 Cb 0.65 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 2qgx h SER 127 CO 0.05 0.05 -0.11 0.00 -1.14 0.00 0.00 176.83 175.67 2qgx h ALA 128 N 0.98 -0.05 -0.64 3.77 0.00 -1.02 -1.65 119.26 120.65 2qgx h ALA 128 Ca 0.01 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qgx h ALA 128 Cb 0.02 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2qgx h ALA 128 CO -0.00 -0.58 0.43 1.15 0.00 0.00 0.00 179.25 180.25 2qgx h THR 129 N -0.15 1.15 -0.04 0.00 2.02 -1.00 0.76 112.91 115.65 2qgx h THR 129 Ca 0.07 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2qgx h THR 129 Cb 0.25 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2qgx h THR 129 CO -0.18 0.16 0.00 -0.07 0.37 0.00 0.00 175.52 175.80 2qgx h LEU 130 N 0.85 0.06 -0.14 2.58 3.38 -0.73 -0.93 115.31 120.38 2qgx h LEU 130 Ca 0.24 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2qgx h LEU 130 Cb -0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2qgx h LEU 130 CO -0.06 0.35 -0.04 0.58 0.09 0.00 0.00 178.44 179.36 2qgx h VAL 131 N -0.22 1.30 -0.94 1.22 2.07 -0.94 0.00 116.25 118.74 2qgx h VAL 131 Ca 0.01 -1.01 0.19 0.00 0.82 0.00 0.00 66.70 66.71 2qgx h VAL 131 Cb 0.31 1.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 2qgx h VAL 131 CO 0.00 0.30 0.60 0.50 0.02 0.00 0.00 177.57 178.99 2qgx h LYS 132 N -0.04 0.53 -0.69 1.57 3.64 0.51 0.20 116.57 122.29 2qgx h LYS 132 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qgx h LYS 132 Cb 0.48 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2qgx h LYS 132 CO 0.02 0.35 0.00 0.41 -2.27 0.00 0.00 179.45 177.96 2qgx n GLY 133 N -1.45 1.92 3.57 5.01 0.00 -0.36 -4.93 105.19 108.96 2qgx n GLY 133 Ca 0.20 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 2qgx n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qgx n LYS 134 N 0.41 -1.44 -2.35 1.61 4.01 0.70 -1.25 118.16 119.85 2qgx n LYS 134 Ca 0.14 0.57 -0.41 0.00 -0.51 0.00 0.00 58.31 58.11 2qgx n LYS 134 Cb 0.65 -4.50 -0.03 0.00 -0.51 0.00 0.00 35.03 30.63 2qgx n LYS 134 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qgx s ALA 135 N -3.43 3.45 0.03 7.82 0.00 -0.02 -4.25 121.76 125.36 2qgx s ALA 135 Ca 0.46 0.99 0.02 0.00 0.00 0.00 0.00 51.96 53.43 2qgx s ALA 135 Cb -0.14 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 2qgx s ALA 135 CO 0.83 -0.37 -0.07 1.03 0.00 0.00 0.00 175.76 177.18 2qgx s ARG 136 N -0.71 0.49 -0.34 0.00 1.81 -0.76 -3.59 118.95 115.85 2qgx s ARG 136 Ca 0.51 -0.67 -0.24 0.00 -1.72 0.00 0.00 55.73 53.60 2qgx s ARG 136 Cb -0.34 -0.26 0.01 0.00 -0.45 0.00 0.00 34.95 33.91 2qgx s ARG 136 CO 0.40 0.04 0.82 0.08 -0.68 0.00 0.00 175.30 175.97 2qgx s VAL 137 N -1.24 4.72 -0.63 3.52 1.01 -1.26 -0.47 120.40 126.05 2qgx s VAL 137 Ca -0.09 1.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.76 2qgx s VAL 137 Cb -0.09 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.14 2qgx s VAL 137 CO 0.00 -0.38 0.95 -1.58 0.00 0.00 0.00 175.10 174.09 2qgx s GLN 138 N 3.13 3.16 0.50 2.72 0.74 -0.81 -4.90 119.66 124.19 2qgx s GLN 138 Ca 0.34 -0.70 0.29 0.00 0.05 0.00 0.00 55.36 55.33 2qgx s GLN 138 Cb -0.13 -4.18 1.05 0.00 1.10 0.00 0.00 33.01 30.85 2qgx s GLN 138 CO 0.15 -1.72 1.87 0.74 -0.55 0.00 0.00 175.29 175.78 2qgx h PHE 139 N 9.49 0.00 0.20 1.67 0.04 -1.95 -3.26 116.94 123.14 2qgx h PHE 139 Ca -0.28 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.48 2qgx h PHE 139 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 2qgx h PHE 139 CO 0.95 0.08 -0.11 0.78 -0.60 0.00 0.00 178.31 179.41 2qgx h GLY 140 N 2.37 -0.30 -2.18 -1.45 0.00 -1.98 -3.44 103.07 96.09 2qgx h GLY 140 Ca -0.00 0.12 -0.49 0.00 0.00 0.00 0.00 47.33 46.96 2qgx h GLY 140 CO 0.01 -0.11 0.42 0.00 0.00 0.00 0.00 176.54 176.86 2qgx s ALA 141 N -6.15 2.81 0.51 3.60 0.00 -1.23 -5.05 121.76 116.25 2qgx s ALA 141 Ca -0.14 0.75 -0.06 0.00 0.00 0.00 0.00 51.96 52.51 2qgx s ALA 141 Cb 0.05 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2qgx s ALA 141 CO 0.65 -0.56 0.82 0.54 0.00 0.00 0.00 175.76 177.21 2qgx s ASN 142 N -1.80 6.19 0.29 0.00 4.22 -1.26 -4.85 114.94 117.73 2qgx s ASN 142 Ca 0.69 0.95 0.23 0.00 -2.14 0.00 0.00 52.86 52.59 2qgx s ASN 142 Cb -0.21 -2.21 1.08 0.00 1.28 0.00 0.00 41.25 41.19 2qgx s ASN 142 CO 0.25 -0.66 1.70 0.29 -2.04 0.00 0.00 177.10 176.64 2qgx n LYS 143 N -2.34 0.18 0.00 3.55 5.02 -1.26 -1.78 118.16 121.53 2qgx n LYS 143 Ca 0.01 0.52 0.07 0.00 -2.02 0.00 0.00 58.31 56.89 2qgx n LYS 143 Cb 0.55 -1.92 0.32 0.00 -0.02 0.00 0.00 35.03 33.96 2qgx n LYS 143 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2qgx n SER 144 N -2.27 0.00 0.10 4.39 7.64 -1.26 -1.81 113.62 120.40 2qgx n SER 144 Ca 0.01 0.40 -0.04 0.00 1.01 0.00 0.00 58.87 60.25 2qgx n SER 144 Cb 0.15 -0.45 0.03 0.00 -1.01 0.00 0.00 64.21 62.93 2qgx n SER 144 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2qgx h GLN 145 N 0.00 0.00 -4.50 1.43 4.15 -1.74 -3.40 115.11 111.05 2qgx h GLN 145 Ca 0.00 0.00 -0.72 0.00 0.77 0.00 0.00 58.65 58.70 2qgx h GLN 145 Cb 0.22 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 27.70 2qgx h GLN 145 CO 0.00 0.79 0.03 0.71 -1.93 0.00 0.00 178.83 178.43 2qgx s TYR 146 N -3.15 3.09 0.33 3.99 2.02 -0.75 -4.14 117.35 118.74 2qgx s TYR 146 Ca 0.00 -1.09 0.10 0.00 -0.37 0.00 0.00 57.07 55.71 2qgx s TYR 146 Cb 0.11 -3.95 -0.06 0.00 -0.40 0.00 0.00 41.96 37.66 2qgx s TYR 146 CO 0.79 -1.21 -0.10 -1.12 -1.57 0.00 0.00 175.55 172.33 2qgx s SER 147 N 3.59 3.77 0.13 2.29 0.01 -1.06 -4.89 113.70 117.55 2qgx s SER 147 Ca 0.09 -1.12 -0.11 0.00 1.31 0.00 0.00 55.95 56.12 2qgx s SER 147 Cb -0.25 -0.37 -0.09 0.00 0.21 0.00 0.00 66.02 65.52 2qgx s SER 147 CO 0.05 -0.15 1.39 0.25 0.41 0.00 0.00 173.24 175.19 2qgx h LEU 148 N 2.05 0.95 -1.78 2.44 5.85 -1.96 0.69 115.31 123.55 2qgx h LEU 148 Ca -0.42 -0.53 -0.03 0.00 0.84 0.00 0.00 57.88 57.74 2qgx h LEU 148 Cb 1.25 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 2qgx h LEU 148 CO 0.67 1.33 -0.14 0.00 -0.34 0.00 0.00 178.44 179.96 2qgx h THR 149 N 0.62 0.97 0.14 1.05 1.03 -1.96 -1.63 112.91 113.14 2qgx h THR 149 Ca -0.00 -0.51 -0.33 0.00 -0.01 0.00 0.00 66.41 65.56 2qgx h THR 149 Cb 1.21 1.28 -0.00 0.00 -1.07 0.00 0.00 68.15 69.58 2qgx h THR 149 CO 0.13 0.14 -1.64 0.03 -0.01 0.00 0.00 175.52 174.17 2qgx h ARG 150 N 0.00 0.30 0.00 0.00 3.08 -1.83 -3.30 114.38 112.63 2qgx h ARG 150 Ca -0.00 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2qgx h ARG 150 Cb 0.27 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2qgx h ARG 150 CO 0.02 1.17 0.00 0.00 -1.07 0.00 0.00 179.97 180.09 2qgx h ALA 151 N 0.35 1.00 0.19 0.04 0.00 -0.62 -3.13 119.26 117.10 2qgx h ALA 151 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.33 2qgx h ALA 151 Cb 2.05 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.86 2qgx h ALA 151 CO 0.16 0.00 -1.36 1.96 0.00 0.00 0.00 179.25 180.01 2qgx h GLN 152 N 0.00 0.41 -0.11 0.00 4.20 -1.43 -2.77 115.11 115.42 2qgx h GLN 152 Ca 0.00 -0.70 -0.02 0.00 0.06 0.00 0.00 58.65 58.00 2qgx h GLN 152 Cb 0.67 0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 2qgx h GLN 152 CO 0.00 1.33 -0.02 -0.56 -0.67 0.00 0.00 178.83 178.91 2qgx h GLN 153 N -0.06 0.15 -0.03 1.46 3.07 -1.63 0.41 115.11 118.48 2qgx h GLN 153 Ca -0.26 -0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.44 2qgx h GLN 153 Cb 1.96 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 29.50 2qgx h GLN 153 CO 0.19 0.18 -0.07 0.77 0.09 0.00 0.00 178.83 180.00 2qgx h SER 154 N 0.15 0.11 -0.27 0.06 0.02 -1.61 -0.47 113.55 111.54 2qgx h SER 154 Ca 0.04 -0.58 -0.08 0.00 -0.84 0.00 0.00 61.79 60.33 2qgx h SER 154 Cb 0.14 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2qgx h SER 154 CO 0.00 0.67 -0.10 0.22 -1.14 0.00 0.00 176.83 176.49 2qgx h TYR 155 N -0.44 0.72 -0.17 3.45 3.20 -1.18 -1.20 116.97 121.35 2qgx h TYR 155 Ca 0.00 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.72 2qgx h TYR 155 Cb 0.66 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2qgx h TYR 155 CO 0.12 0.74 -0.02 -0.22 -1.64 0.00 0.00 178.16 177.14 2qgx h LYS 156 N 0.61 0.31 0.00 1.82 3.64 -0.19 -2.19 116.57 120.58 2qgx h LYS 156 Ca 0.11 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qgx h LYS 156 Cb 0.53 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2qgx h LYS 156 CO 0.03 0.56 0.00 0.45 -2.27 0.00 0.00 179.45 178.22 2qgx n SER 157 N -4.70 0.15 -0.02 4.20 2.88 -0.19 -2.88 113.62 113.07 2qgx n SER 157 Ca -0.05 0.54 -0.13 0.00 -1.33 0.00 0.00 58.87 57.90 2qgx n SER 157 Cb 0.24 -0.57 -0.10 0.00 -0.75 0.00 0.00 64.21 63.03 2qgx n SER 157 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2qgx h LEU 158 N 0.00 -0.03 -0.27 2.46 7.12 -0.57 -3.16 115.31 120.86 2qgx h LEU 158 Ca 0.00 -0.61 0.00 0.00 0.13 0.00 0.00 57.88 57.40 2qgx h LEU 158 Cb 0.28 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 2qgx h LEU 158 CO 0.00 0.62 0.00 0.55 -0.13 0.00 0.00 178.44 179.48 2qgx n VAL 159 N -4.79 0.92 0.20 1.05 3.14 -1.10 -2.52 118.33 115.23 2qgx n VAL 159 Ca -0.09 0.24 0.12 0.00 -2.96 0.00 0.00 64.34 61.65 2qgx n VAL 159 Cb 0.32 -1.05 0.62 0.00 -1.06 0.00 0.00 33.84 32.67 2qgx n VAL 159 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2qgx h GLN 160 N 0.00 0.00 -3.99 1.45 4.15 -1.50 -3.41 115.11 111.82 2qgx h GLN 160 Ca 0.00 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 2qgx h GLN 160 Cb 0.30 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 27.83 2qgx h GLN 160 CO 0.00 0.00 -0.57 -1.50 -1.93 0.00 0.00 178.83 174.83 2qgx s ILE 161 N -3.61 0.17 0.00 2.39 1.10 -1.05 -5.12 121.20 115.08 2qgx s ILE 161 Ca -0.03 -1.37 0.00 0.00 -0.51 0.00 0.00 60.65 58.74 2qgx s ILE 161 Cb 0.07 -1.17 0.00 0.00 0.15 0.00 0.00 42.46 41.51 2qgx s ILE 161 CO 0.21 -0.76 0.00 0.00 -2.11 0.00 0.00 174.94 172.28