#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qy2 s GLU 2 N 0.00 1.49 0.21 3.44 2.02 -1.26 -4.54 118.70 120.06 1qy2 s GLU 2 Ca 0.00 -1.61 -0.14 0.00 0.02 0.00 0.00 54.97 53.23 1qy2 s GLU 2 Cb 0.00 -1.54 0.01 0.00 0.10 0.00 0.00 34.13 32.70 1qy2 s GLU 2 CO 0.00 0.30 0.46 0.00 0.02 0.00 0.00 175.26 176.04 1qy2 s ALA 3 N -2.38 -0.54 0.08 5.21 0.00 -0.40 -4.97 121.76 118.76 1qy2 s ALA 3 Ca 0.24 -0.57 0.10 0.00 0.00 0.00 0.00 51.96 51.73 1qy2 s ALA 3 Cb -0.05 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1qy2 s ALA 3 CO 0.10 -0.79 -0.26 0.45 0.00 0.00 0.00 175.76 175.26 1qy2 s SER 4 N -2.94 3.30 0.49 0.00 0.15 -1.26 -1.10 113.70 112.35 1qy2 s SER 4 Ca 0.15 -0.65 0.23 0.00 0.70 0.00 0.00 55.95 56.38 1qy2 s SER 4 Cb -0.00 -0.29 1.28 0.00 -1.71 0.00 0.00 66.02 65.30 1qy2 s SER 4 CO 0.02 0.22 2.03 0.77 1.20 0.00 0.00 173.24 177.48 1qy2 h SER 5 N 4.35 0.00 0.94 5.45 4.64 -1.11 -0.37 113.55 127.45 1qy2 h SER 5 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1qy2 h SER 5 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1qy2 h SER 5 CO 0.42 0.15 -0.11 0.35 -0.87 0.00 0.00 176.83 176.77 1qy2 n THR 6 N -3.85 0.06 -2.36 2.95 -2.24 -1.26 -3.24 114.28 104.34 1qy2 n THR 6 Ca -0.02 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 1qy2 n THR 6 Cb 0.25 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.10 1qy2 n THR 6 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qy2 s GLY 7 N -3.07 1.94 0.49 3.38 0.00 -0.15 -4.89 107.32 105.03 1qy2 s GLY 7 Ca 0.13 0.04 0.24 0.00 0.00 0.00 0.00 44.72 45.13 1qy2 s GLY 7 CO 0.57 0.30 2.02 -0.09 0.00 0.00 0.00 173.10 175.91 1qy2 h ARG 8 N 0.68 0.00 -0.59 2.90 9.65 -1.90 -2.72 114.38 122.39 1qy2 h ARG 8 Ca -0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1qy2 h ARG 8 Cb 1.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1qy2 h ARG 8 CO 0.62 0.16 0.00 0.09 2.80 0.00 0.00 179.97 183.64 1qy2 n ASN 9 N -3.75 3.41 -4.75 -3.80 4.13 -1.26 -4.96 115.26 104.28 1qy2 n ASN 9 Ca -0.02 -2.17 -0.41 0.00 1.68 0.00 0.00 54.58 53.66 1qy2 n ASN 9 Cb 0.27 -0.44 -0.02 0.00 -1.54 0.00 0.00 39.78 38.04 1qy2 n ASN 9 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1qy2 s PHE 10 N -1.51 2.99 -0.52 3.10 5.36 -1.03 -4.98 117.98 121.40 1qy2 s PHE 10 Ca 0.39 1.05 0.04 0.00 -0.96 0.00 0.00 56.93 57.45 1qy2 s PHE 10 Cb 0.23 -3.83 0.13 0.00 -0.34 0.00 0.00 43.02 39.21 1qy2 s PHE 10 CO 0.22 -2.66 0.26 1.21 -1.46 0.00 0.00 175.22 172.79 1qy2 s ASN 11 N 0.28 4.28 0.39 6.13 3.04 -1.26 -4.98 114.94 122.82 1qy2 s ASN 11 Ca 0.58 -3.00 0.12 0.00 0.04 0.00 0.00 52.86 50.61 1qy2 s ASN 11 Cb -0.42 -1.61 0.92 0.00 -1.54 0.00 0.00 41.25 38.60 1qy2 s ASN 11 CO 0.45 -0.23 1.89 0.58 -3.04 0.00 0.00 177.10 176.75 1qy2 h VAL 12 N 5.49 0.81 -0.77 -5.21 2.07 -1.99 -0.75 116.25 115.90 1qy2 h VAL 12 Ca -0.08 -0.19 0.17 0.00 0.82 0.00 0.00 66.70 67.42 1qy2 h VAL 12 Cb 0.89 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1qy2 h VAL 12 CO 0.68 0.10 0.52 -0.33 0.02 0.00 0.00 177.57 178.56 1qy2 h GLU 13 N 0.57 0.33 0.00 1.57 5.08 -1.97 -1.59 114.58 118.56 1qy2 h GLU 13 Ca 0.42 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1qy2 h GLU 13 Cb 0.79 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1qy2 h GLU 13 CO -0.17 0.22 0.00 1.63 -1.00 0.00 0.00 179.01 179.69 1qy2 n LYS 14 N -4.46 0.02 -0.18 2.33 5.02 -0.29 -1.71 118.16 118.89 1qy2 n LYS 14 Ca 0.15 0.28 0.12 0.00 -2.02 0.00 0.00 58.31 56.84 1qy2 n LYS 14 Cb 0.60 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.35 1qy2 n LYS 14 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1qy2 n ILE 15 N -1.47 0.48 -2.00 -0.18 -5.35 -0.60 -4.82 119.36 105.42 1qy2 n ILE 15 Ca 0.03 -0.69 -0.37 0.00 -0.27 0.00 0.00 62.75 61.45 1qy2 n ILE 15 Cb 0.13 0.86 0.03 0.00 -1.74 0.00 0.00 39.64 38.92 1qy2 n ILE 15 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1qy2 s ASN 16 N -1.48 5.44 0.00 7.28 2.47 -0.69 -4.69 114.94 123.26 1qy2 s ASN 16 Ca 0.38 2.49 0.00 0.00 0.42 0.00 0.00 52.86 56.15 1qy2 s ASN 16 Cb 0.22 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 1qy2 s ASN 16 CO 0.31 -1.43 0.00 0.61 -3.72 0.00 0.00 177.10 172.86 1qy2 n GLY 17 N 0.57 -0.52 3.74 1.21 0.00 0.38 -4.92 105.19 105.64 1qy2 n GLY 17 Ca 0.11 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1qy2 n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qy2 s GLU 18 N 0.00 4.26 0.07 1.61 2.12 -1.26 -1.22 118.70 124.28 1qy2 s GLU 18 Ca 0.00 2.29 -0.07 0.00 0.36 0.00 0.00 54.97 57.55 1qy2 s GLU 18 Cb 0.00 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 1qy2 s GLU 18 CO 0.00 -0.46 0.13 -1.58 -0.54 0.00 0.00 175.26 172.81 1qy2 s TRP 19 N 0.37 0.22 0.00 5.30 0.52 -0.84 -4.58 118.94 119.93 1qy2 s TRP 19 Ca 0.62 -0.64 0.01 0.00 0.02 0.00 0.00 56.10 56.11 1qy2 s TRP 19 Cb -0.42 -0.13 -0.00 0.00 -1.15 0.00 0.00 33.47 31.76 1qy2 s TRP 19 CO 0.39 -0.48 -0.04 -1.01 0.02 0.00 0.00 176.95 175.84 1qy2 s HIS 20 N -3.60 0.33 -0.16 -1.98 3.76 0.65 -3.46 115.29 110.82 1qy2 s HIS 20 Ca 0.03 -0.11 -0.29 0.00 -0.15 0.00 0.00 55.06 54.54 1qy2 s HIS 20 Cb 0.04 -0.21 -0.02 0.00 1.11 0.00 0.00 32.58 33.50 1qy2 s HIS 20 CO -0.09 -0.02 1.41 0.99 -0.85 0.00 0.00 174.74 176.18 1qy2 s THR 21 N -0.24 4.01 -0.26 1.30 2.01 -1.23 -0.58 115.64 120.64 1qy2 s THR 21 Ca -0.00 1.20 -0.09 0.00 0.31 0.00 0.00 61.69 63.11 1qy2 s THR 21 Cb -0.02 -3.84 -0.13 0.00 0.01 0.00 0.00 72.50 68.52 1qy2 s THR 21 CO -0.00 -0.18 -0.31 -0.38 -0.69 0.00 0.00 174.62 173.06 1qy2 n ILE 22 N 5.63 1.46 -3.87 1.82 2.08 0.20 -4.57 119.36 122.12 1qy2 n ILE 22 Ca 0.15 -0.43 -0.11 0.00 0.56 0.00 0.00 62.75 62.93 1qy2 n ILE 22 Cb 0.45 -1.73 -0.11 0.00 -0.75 0.00 0.00 39.64 37.50 1qy2 n ILE 22 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1qy2 s ILE 23 N -2.49 0.05 0.10 1.39 1.01 -0.86 -0.66 121.20 119.74 1qy2 s ILE 23 Ca -0.36 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 59.91 1qy2 s ILE 23 Cb 0.13 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 1qy2 s ILE 23 CO 0.50 -0.24 -0.17 -0.76 0.00 0.00 0.00 174.94 174.27 1qy2 s LEU 24 N -0.81 2.32 0.05 2.97 1.43 -0.55 -0.61 118.68 123.48 1qy2 s LEU 24 Ca -0.09 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.24 1qy2 s LEU 24 Cb -0.05 -0.66 -0.01 0.00 0.03 0.00 0.00 46.19 45.50 1qy2 s LEU 24 CO 0.01 -0.05 0.14 0.00 0.23 0.00 0.00 176.35 176.68 1qy2 s ALA 25 N -1.48 -0.17 -0.15 4.21 0.00 0.48 0.24 121.76 124.88 1qy2 s ALA 25 Ca 0.04 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1qy2 s ALA 25 Cb -0.09 0.30 0.09 0.00 0.00 0.00 0.00 23.12 23.42 1qy2 s ALA 25 CO 0.03 -0.37 0.82 0.45 0.00 0.00 0.00 175.76 176.70 1qy2 s SER 26 N -2.26 -0.57 0.00 0.00 0.15 -0.93 -0.93 113.70 109.15 1qy2 s SER 26 Ca -0.03 0.80 0.12 0.00 0.70 0.00 0.00 55.95 57.54 1qy2 s SER 26 Cb 0.00 0.71 0.63 0.00 -1.71 0.00 0.00 66.02 65.65 1qy2 s SER 26 CO -0.06 -0.41 1.42 -0.90 1.20 0.00 0.00 173.24 174.50 1qy2 n ASP 27 N 1.39 0.42 -3.59 5.45 3.85 -1.06 -3.86 116.55 119.15 1qy2 n ASP 27 Ca -0.15 -1.70 -0.28 0.00 -0.71 0.00 0.00 54.79 51.95 1qy2 n ASP 27 Cb 0.57 -0.04 -0.12 0.00 -1.35 0.00 0.00 41.12 40.18 1qy2 n ASP 27 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1qy2 s LYS 28 N -1.92 1.23 0.45 0.11 1.02 -1.26 -4.95 119.74 114.42 1qy2 s LYS 28 Ca 0.19 -2.17 0.17 0.00 0.02 0.00 0.00 55.97 54.18 1qy2 s LYS 28 Cb 0.09 -2.01 1.11 0.00 -0.52 0.00 0.00 37.83 36.50 1qy2 s LYS 28 CO 0.15 -1.28 1.96 -0.09 -0.92 0.00 0.00 175.35 175.18 1qy2 h ARG 29 N 6.14 0.32 -0.17 1.68 2.43 -1.93 -1.86 114.38 120.99 1qy2 h ARG 29 Ca 0.13 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1qy2 h ARG 29 Cb 0.90 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1qy2 h ARG 29 CO 0.45 0.21 0.15 1.05 -1.51 0.00 0.00 179.97 180.32 1qy2 h GLU 30 N 0.33 0.00 0.00 0.20 4.11 -1.95 -0.99 114.58 116.28 1qy2 h GLU 30 Ca 0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.72 1qy2 h GLU 30 Cb 0.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1qy2 h GLU 30 CO -0.08 0.00 -0.06 0.87 0.07 0.00 0.00 179.01 179.82 1qy2 h LYS 31 N 0.00 0.00 -0.03 1.06 6.56 -1.73 -2.83 116.57 119.59 1qy2 h LYS 31 Ca 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1qy2 h LYS 31 Cb 0.38 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1qy2 h LYS 31 CO -0.00 0.06 0.00 0.44 -2.06 0.00 0.00 179.45 177.89 1qy2 n ILE 32 N -3.42 0.33 -1.60 1.86 -5.35 -0.41 -1.19 119.36 109.57 1qy2 n ILE 32 Ca -0.02 -0.66 -0.30 0.00 -0.27 0.00 0.00 62.75 61.50 1qy2 n ILE 32 Cb 0.19 0.88 0.20 0.00 -1.74 0.00 0.00 39.64 39.17 1qy2 n ILE 32 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1qy2 s GLU 33 N -0.49 0.00 0.09 6.28 2.02 -0.97 -4.62 118.70 121.01 1qy2 s GLU 33 Ca 0.04 -0.24 -0.11 0.00 0.02 0.00 0.00 54.97 54.69 1qy2 s GLU 33 Cb 0.03 -1.76 0.04 0.00 0.10 0.00 0.00 34.13 32.54 1qy2 s GLU 33 CO 0.04 -2.87 0.69 -0.25 0.02 0.00 0.00 175.26 172.89 1qy2 n ASP 34 N -4.13 -0.38 -1.36 -0.19 9.92 -1.26 0.04 116.55 119.19 1qy2 n ASP 34 Ca 0.14 0.78 0.06 0.00 -0.53 0.00 0.00 54.79 55.24 1qy2 n ASP 34 Cb 0.59 -0.14 0.31 0.00 -0.64 0.00 0.00 41.12 41.25 1qy2 n ASP 34 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1qy2 n ASN 35 N -4.60 4.56 -4.78 -2.24 5.03 -1.26 -4.94 115.26 107.02 1qy2 n ASN 35 Ca 0.03 -3.05 -0.35 0.00 0.87 0.00 0.00 54.58 52.07 1qy2 n ASN 35 Cb 0.15 -0.62 -0.01 0.00 -1.02 0.00 0.00 39.78 38.27 1qy2 n ASN 35 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1qy2 s GLY 36 N -1.49 2.64 0.54 7.41 0.00 0.11 -4.93 107.32 111.61 1qy2 s GLY 36 Ca 0.48 0.78 0.33 0.00 0.00 0.00 0.00 44.72 46.30 1qy2 s GLY 36 CO 0.11 1.15 2.03 3.43 0.00 0.00 0.00 173.10 179.82 1qy2 h ASN 37 N 1.58 0.00 -0.66 1.64 -0.26 -1.84 -2.95 115.58 113.09 1qy2 h ASN 37 Ca -0.50 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.24 1qy2 h ASN 37 Cb 1.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.50 1qy2 h ASN 37 CO 0.59 0.06 0.00 0.49 -1.06 0.00 0.00 177.43 177.51 1qy2 n PHE 38 N -3.24 1.27 -2.67 1.19 3.01 -0.34 -4.63 117.46 112.06 1qy2 n PHE 38 Ca -0.00 -0.54 -0.43 0.00 1.01 0.00 0.00 57.45 57.48 1qy2 n PHE 38 Cb 0.28 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1qy2 n PHE 38 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1qy2 n ARG 39 N 1.28 3.48 -4.30 -1.08 0.63 -1.11 -4.77 116.66 110.78 1qy2 n ARG 39 Ca 0.25 -3.69 -0.35 0.00 -0.92 0.00 0.00 57.85 53.14 1qy2 n ARG 39 Cb 0.77 -3.00 -0.10 0.00 0.45 0.00 0.00 32.46 30.58 1qy2 n ARG 39 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1qy2 s LEU 40 N 0.86 3.58 -0.49 6.15 1.43 -1.26 -4.62 118.68 124.33 1qy2 s LEU 40 Ca 0.42 0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.45 1qy2 s LEU 40 Cb 0.03 -1.85 0.10 0.00 0.03 0.00 0.00 46.19 44.50 1qy2 s LEU 40 CO 0.00 0.29 0.41 -0.36 0.23 0.00 0.00 176.35 176.93 1qy2 s PHE 41 N -0.37 3.27 0.44 0.29 0.40 -0.59 -4.82 117.98 116.60 1qy2 s PHE 41 Ca 0.07 -1.19 -0.23 0.00 -0.60 0.00 0.00 56.93 54.98 1qy2 s PHE 41 Cb -0.12 -3.38 -0.08 0.00 0.51 0.00 0.00 43.02 39.95 1qy2 s PHE 41 CO 0.02 -0.89 1.17 -1.17 0.70 0.00 0.00 175.22 175.04 1qy2 s LEU 42 N 1.58 4.06 0.00 -0.37 2.96 -1.26 -1.35 118.68 124.30 1qy2 s LEU 42 Ca 0.04 2.31 0.00 0.00 -0.22 0.00 0.00 54.13 56.26 1qy2 s LEU 42 Cb -0.26 -4.19 0.00 0.00 0.50 0.00 0.00 46.19 42.24 1qy2 s LEU 42 CO 0.04 -0.85 0.00 -0.62 -1.32 0.00 0.00 176.35 173.60 1qy2 n GLU 43 N -0.35 0.00 -3.50 1.98 1.02 0.59 -3.51 120.64 116.87 1qy2 n GLU 43 Ca 0.07 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.07 1qy2 n GLU 43 Cb 0.48 -0.90 -0.04 0.00 -0.02 0.00 0.00 31.44 30.96 1qy2 n GLU 43 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1qy2 s GLN 44 N -1.88 1.14 -0.16 3.49 -2.07 -1.12 -1.98 119.66 117.08 1qy2 s GLN 44 Ca 0.00 -0.23 0.02 0.00 -1.82 0.00 0.00 55.36 53.32 1qy2 s GLN 44 Cb 0.00 0.53 0.02 0.00 -1.09 0.00 0.00 33.01 32.46 1qy2 s GLN 44 CO 0.00 -0.44 -0.20 0.42 -1.32 0.00 0.00 175.29 173.75 1qy2 s ILE 45 N -2.73 2.02 -0.37 3.63 1.01 -0.36 -1.55 121.20 122.85 1qy2 s ILE 45 Ca -0.04 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.55 1qy2 s ILE 45 Cb -0.01 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1qy2 s ILE 45 CO -0.04 0.54 0.25 -2.28 0.00 0.00 0.00 174.94 173.41 1qy2 s HIS 46 N 1.12 3.23 -0.11 3.97 2.46 -0.04 -0.47 115.29 125.46 1qy2 s HIS 46 Ca 0.00 -0.57 -0.27 0.00 0.47 0.00 0.00 55.06 54.70 1qy2 s HIS 46 Cb -0.14 -2.50 -0.02 0.00 -0.13 0.00 0.00 32.58 29.79 1qy2 s HIS 46 CO -0.09 -0.53 0.87 0.08 -2.47 0.00 0.00 174.74 172.61 1qy2 s VAL 47 N 1.66 4.89 0.46 0.89 1.01 -1.26 -0.81 120.40 127.23 1qy2 s VAL 47 Ca 0.05 1.76 0.04 0.00 0.00 0.00 0.00 61.98 63.83 1qy2 s VAL 47 Cb -0.18 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1qy2 s VAL 47 CO 0.09 0.08 0.02 -0.76 0.00 0.00 0.00 175.10 174.54 1qy2 s LEU 48 N 1.68 2.60 0.20 3.92 1.43 0.11 -4.99 118.68 123.64 1qy2 s LEU 48 Ca 0.43 -1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 51.91 1qy2 s LEU 48 Cb -0.18 -0.85 0.25 0.00 0.03 0.00 0.00 46.19 45.45 1qy2 s LEU 48 CO 0.17 -0.66 1.66 -0.33 0.23 0.00 0.00 176.35 177.42 1qy2 h GLU 49 N 1.53 0.09 0.00 1.70 5.08 -2.03 -3.21 114.58 117.75 1qy2 h GLU 49 Ca -0.44 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.88 1qy2 h GLU 49 Cb 1.28 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.42 1qy2 h GLU 49 CO 0.77 0.06 -0.48 1.63 -1.00 0.00 0.00 179.01 179.99 1qy2 n LYS 50 N -5.29 0.65 -3.85 2.33 5.02 -1.26 -5.07 118.16 110.69 1qy2 n LYS 50 Ca 0.08 -2.09 -0.07 0.00 -2.02 0.00 0.00 58.31 54.21 1qy2 n LYS 50 Cb 0.33 -0.88 -0.01 0.00 -0.02 0.00 0.00 35.03 34.44 1qy2 n LYS 50 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1qy2 s SER 51 N -2.16 -0.22 -0.07 4.39 1.04 -1.21 -1.83 113.70 113.64 1qy2 s SER 51 Ca 0.23 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 56.03 1qy2 s SER 51 Cb 0.23 0.73 0.01 0.00 0.10 0.00 0.00 66.02 67.09 1qy2 s SER 51 CO -0.04 -1.36 -0.13 -0.76 0.98 0.00 0.00 173.24 171.93 1qy2 s LEU 52 N -2.94 1.66 -0.33 2.42 2.01 0.20 -0.71 118.68 120.99 1qy2 s LEU 52 Ca 0.12 -0.31 -0.13 0.00 0.01 0.00 0.00 54.13 53.81 1qy2 s LEU 52 Cb -0.06 -0.85 -0.02 0.00 0.01 0.00 0.00 46.19 45.27 1qy2 s LEU 52 CO 0.07 0.04 0.27 -0.69 1.01 0.00 0.00 176.35 177.05 1qy2 s VAL 53 N 0.66 5.26 -0.25 -1.59 1.01 0.01 -0.47 120.40 125.02 1qy2 s VAL 53 Ca -0.15 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 1qy2 s VAL 53 Cb -0.16 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1qy2 s VAL 53 CO 0.04 -0.00 0.22 -0.76 0.00 0.00 0.00 175.10 174.60 1qy2 s LEU 54 N 1.81 4.08 -0.21 3.92 1.43 0.45 -0.86 118.68 129.31 1qy2 s LEU 54 Ca 0.08 0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1qy2 s LEU 54 Cb -0.17 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 1qy2 s LEU 54 CO 0.11 -0.01 -0.00 -0.54 0.23 0.00 0.00 176.35 176.13 1qy2 s LYS 55 N 1.41 3.57 0.38 1.70 1.02 -0.60 -1.23 119.74 125.99 1qy2 s LYS 55 Ca 0.09 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.58 1qy2 s LYS 55 Cb -0.15 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 1qy2 s LYS 55 CO 0.07 -0.05 0.08 -0.06 -0.92 0.00 0.00 175.35 174.47 1qy2 s PHE 56 N 1.15 1.91 0.06 3.18 0.40 0.78 -0.30 117.98 125.16 1qy2 s PHE 56 Ca 0.03 -1.07 0.03 0.00 -0.60 0.00 0.00 56.93 55.32 1qy2 s PHE 56 Cb -0.14 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.07 1qy2 s PHE 56 CO 0.01 -0.07 -0.09 -3.38 0.70 0.00 0.00 175.22 172.39 1qy2 s HIS 57 N -3.21 0.86 0.36 0.36 -3.43 -0.46 -0.87 115.29 108.90 1qy2 s HIS 57 Ca 0.29 -0.54 0.09 0.00 -0.80 0.00 0.00 55.06 54.09 1qy2 s HIS 57 Cb 0.06 -0.50 -0.06 0.00 -1.43 0.00 0.00 32.58 30.65 1qy2 s HIS 57 CO 0.14 -0.05 -0.01 -0.08 -2.00 0.00 0.00 174.74 172.74 1qy2 s THR 58 N -1.68 2.36 -0.02 -5.38 -1.32 0.16 -1.54 115.64 108.22 1qy2 s THR 58 Ca -0.04 -2.04 0.03 0.00 -1.21 0.00 0.00 61.69 58.43 1qy2 s THR 58 Cb -0.08 -2.79 -0.00 0.00 -1.51 0.00 0.00 72.50 68.12 1qy2 s THR 58 CO 0.00 -0.15 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.46 1qy2 s VAL 59 N -2.59 0.94 -0.15 5.08 1.01 -1.26 -1.34 120.40 122.09 1qy2 s VAL 59 Ca 0.34 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 1qy2 s VAL 59 Cb 0.03 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.66 1qy2 s VAL 59 CO 0.18 0.28 0.32 0.00 0.00 0.00 0.00 175.10 175.89 1qy2 s ARG 60 N 0.04 0.23 -1.45 2.72 1.04 -0.72 -4.88 118.95 115.93 1qy2 s ARG 60 Ca -0.01 0.82 -0.10 0.00 -1.04 0.00 0.00 55.73 55.40 1qy2 s ARG 60 Cb -0.08 0.07 0.05 0.00 -2.04 0.00 0.00 34.95 32.96 1qy2 s ARG 60 CO 0.01 -0.25 0.97 -0.25 -0.04 0.00 0.00 175.30 175.73 1qy2 n ASP 61 N 5.18 -4.29 -0.36 -2.89 9.92 -1.26 -0.55 116.55 122.30 1qy2 n ASP 61 Ca -0.10 -0.74 -0.05 0.00 -0.53 0.00 0.00 54.79 53.38 1qy2 n ASP 61 Cb 0.50 -4.17 -0.02 0.00 -0.64 0.00 0.00 41.12 36.79 1qy2 n ASP 61 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qy2 n GLU 62 N -4.65 -1.15 -4.26 -1.24 1.02 -1.26 -4.99 120.64 104.11 1qy2 n GLU 62 Ca -0.04 0.55 -0.34 0.00 -0.02 0.00 0.00 57.16 57.31 1qy2 n GLU 62 Cb 0.57 -4.55 -0.14 0.00 -0.02 0.00 0.00 31.44 27.30 1qy2 n GLU 62 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1qy2 s GLU 63 N -1.94 3.39 0.24 3.49 2.12 0.29 -5.11 118.70 121.19 1qy2 s GLU 63 Ca 0.00 -0.64 -0.26 0.00 0.36 0.00 0.00 54.97 54.42 1qy2 s GLU 63 Cb 0.00 -2.85 -0.09 0.00 0.26 0.00 0.00 34.13 31.45 1qy2 s GLU 63 CO 0.00 -0.01 0.87 0.00 -0.54 0.00 0.00 175.26 175.58 1qy2 s SER 65 N -1.35 1.19 0.50 0.00 0.01 -0.45 -4.95 113.70 108.66 1qy2 s SER 65 Ca 0.42 -0.18 -0.19 0.00 1.31 0.00 0.00 55.95 57.31 1qy2 s SER 65 Cb -0.22 -0.42 -0.08 0.00 0.21 0.00 0.00 66.02 65.51 1qy2 s SER 65 CO 0.27 0.03 1.02 -1.61 0.41 0.00 0.00 173.24 173.36 1qy2 s GLU 66 N 0.43 3.78 -0.15 12.44 0.41 -1.26 -0.66 118.70 133.69 1qy2 s GLU 66 Ca -0.07 1.26 -0.08 0.00 -0.41 0.00 0.00 54.97 55.67 1qy2 s GLU 66 Cb -0.11 -2.10 0.06 0.00 -1.78 0.00 0.00 34.13 30.20 1qy2 s GLU 66 CO 0.01 -0.43 0.36 -1.17 -0.49 0.00 0.00 175.26 173.53 1qy2 s LEU 67 N -3.69 0.04 0.10 1.80 0.20 -0.05 -4.88 118.68 112.21 1qy2 s LEU 67 Ca 0.65 0.78 0.10 0.00 0.69 0.00 0.00 54.13 56.35 1qy2 s LEU 67 Cb -0.15 1.16 -0.04 0.00 -0.43 0.00 0.00 46.19 46.73 1qy2 s LEU 67 CO 0.23 -0.19 -0.24 -0.44 -0.29 0.00 0.00 176.35 175.42 1qy2 s SER 68 N 1.40 2.97 -0.07 3.68 0.01 -1.26 -0.15 113.70 120.28 1qy2 s SER 68 Ca -0.09 -0.69 -0.14 0.00 1.31 0.00 0.00 55.95 56.34 1qy2 s SER 68 Cb -0.09 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 65.97 1qy2 s SER 68 CO -0.11 0.15 0.33 -0.32 0.41 0.00 0.00 173.24 173.69 1qy2 s MET 69 N -1.85 0.55 -0.18 12.44 0.00 -0.37 -5.00 119.30 124.90 1qy2 s MET 69 Ca 0.11 0.12 -0.02 0.00 0.00 0.00 0.00 55.69 55.90 1qy2 s MET 69 Cb -0.10 0.25 -0.01 0.00 0.00 0.00 0.00 34.83 34.98 1qy2 s MET 69 CO 0.05 -0.12 -0.08 0.08 0.00 0.00 0.00 175.02 174.94 1qy2 s VAL 70 N -0.64 3.21 -0.23 10.11 1.01 -1.26 -0.41 120.40 132.19 1qy2 s VAL 70 Ca -0.07 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 1qy2 s VAL 70 Cb -0.04 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1qy2 s VAL 70 CO 0.03 0.47 0.09 0.00 0.00 0.00 0.00 175.10 175.69 1qy2 s ALA 71 N 0.97 3.30 0.09 5.51 0.00 0.39 -4.69 121.76 127.32 1qy2 s ALA 71 Ca -0.01 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 1qy2 s ALA 71 Cb -0.15 -2.09 -0.06 0.00 0.00 0.00 0.00 23.12 20.83 1qy2 s ALA 71 CO -0.00 -0.26 0.38 -0.51 0.00 0.00 0.00 175.76 175.37 1qy2 s ASP 72 N 1.20 6.58 0.44 0.00 1.01 -0.12 -0.63 116.67 125.16 1qy2 s ASP 72 Ca 0.05 0.71 -0.24 0.00 0.71 0.00 0.00 52.55 53.78 1qy2 s ASP 72 Cb -0.14 -2.14 -0.08 0.00 1.01 0.00 0.00 42.92 41.57 1qy2 s ASP 72 CO 0.04 0.14 1.26 -0.54 0.21 0.00 0.00 175.17 176.28 1qy2 s LYS 73 N -2.11 3.78 0.00 8.23 1.02 -0.76 -0.25 119.74 129.65 1qy2 s LYS 73 Ca 0.35 2.04 0.00 0.00 0.02 0.00 0.00 55.97 58.37 1qy2 s LYS 73 Cb -0.13 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1qy2 s LYS 73 CO 0.20 -0.61 0.00 0.25 -0.92 0.00 0.00 175.35 174.27 1qy2 n THR 74 N -0.23 0.00 0.31 2.17 -2.24 -0.61 -4.80 114.28 108.88 1qy2 n THR 74 Ca 0.06 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.99 1qy2 n THR 74 Cb 0.45 -0.77 0.59 0.00 -2.10 0.00 0.00 70.33 68.50 1qy2 n THR 74 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qy2 h GLU 75 N 0.00 0.00 -5.43 -0.78 5.08 -1.96 -3.42 114.58 108.07 1qy2 h GLU 75 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1qy2 h GLU 75 Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 1qy2 h GLU 75 CO 0.00 0.00 -0.41 -1.59 -1.00 0.00 0.00 179.01 176.01 1qy2 s LYS 76 N -3.53 4.12 0.41 2.33 -2.85 -1.26 -5.05 119.74 113.91 1qy2 s LYS 76 Ca 0.03 -0.07 -0.26 0.00 -1.00 0.00 0.00 55.97 54.67 1qy2 s LYS 76 Cb 0.09 -3.39 -0.10 0.00 -2.06 0.00 0.00 37.83 32.37 1qy2 s LYS 76 CO 0.52 0.35 1.40 0.00 0.10 0.00 0.00 175.35 177.72 1qy2 n ALA 77 N 3.30 1.91 -0.38 0.59 0.00 -1.26 -1.72 120.51 122.95 1qy2 n ALA 77 Ca -0.15 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1qy2 n ALA 77 Cb 0.52 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1qy2 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qy2 n GLY 78 N 0.61 2.07 3.67 0.00 0.00 -1.20 -4.43 105.19 105.91 1qy2 n GLY 78 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1qy2 n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qy2 s GLU 79 N -0.03 3.03 0.13 1.61 2.12 -0.70 -4.25 118.70 120.62 1qy2 s GLU 79 Ca 0.00 -0.41 0.09 0.00 0.36 0.00 0.00 54.97 55.01 1qy2 s GLU 79 Cb 0.00 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 1qy2 s GLU 79 CO 0.00 0.67 -0.21 0.71 -0.54 0.00 0.00 175.26 175.89 1qy2 s TYR 80 N -0.80 1.93 0.14 5.30 1.51 0.18 -1.57 117.35 124.03 1qy2 s TYR 80 Ca 0.12 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 1qy2 s TYR 80 Cb -0.11 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 1qy2 s TYR 80 CO 0.02 0.29 -0.18 -1.54 -1.11 0.00 0.00 175.55 173.04 1qy2 s SER 81 N -2.24 2.46 -0.26 2.29 1.04 0.65 -0.11 113.70 117.52 1qy2 s SER 81 Ca 0.12 -0.81 -0.22 0.00 0.48 0.00 0.00 55.95 55.51 1qy2 s SER 81 Cb -0.08 -0.13 0.07 0.00 0.10 0.00 0.00 66.02 65.98 1qy2 s SER 81 CO 0.06 -0.04 0.69 0.54 0.98 0.00 0.00 173.24 175.47 1qy2 s VAL 82 N -1.88 -0.00 -0.23 5.02 0.11 0.01 -0.94 120.40 122.48 1qy2 s VAL 82 Ca 0.12 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.94 1qy2 s VAL 82 Cb -0.06 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1qy2 s VAL 82 CO 0.05 0.00 0.77 -0.89 -3.33 0.00 0.00 175.10 171.70 1qy2 s THR 83 N 0.64 4.89 -0.30 5.04 2.01 -1.26 -1.18 115.64 125.48 1qy2 s THR 83 Ca -0.02 1.44 -0.11 0.00 0.31 0.00 0.00 61.69 63.31 1qy2 s THR 83 Cb -0.05 -4.06 0.17 0.00 0.01 0.00 0.00 72.50 68.57 1qy2 s THR 83 CO -0.03 -0.02 0.91 -0.47 -0.69 0.00 0.00 174.62 174.32 1qy2 s TYR 84 N 2.59 -0.85 -1.48 4.92 5.04 -1.26 -4.95 117.35 121.35 1qy2 s TYR 84 Ca 0.33 1.16 -0.00 0.00 -2.44 0.00 0.00 57.07 56.11 1qy2 s TYR 84 Cb -0.16 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.55 1qy2 s TYR 84 CO 0.08 -0.45 0.20 -3.47 -1.34 0.00 0.00 175.55 170.57 1qy2 n ASP 85 N 5.26 0.37 0.00 4.32 2.03 -1.26 -4.56 116.55 122.71 1qy2 n ASP 85 Ca -0.07 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 54.09 1qy2 n ASP 85 Cb 0.52 -2.27 0.00 0.00 -0.72 0.00 0.00 41.12 38.65 1qy2 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qy2 n GLY 86 N -2.30 -0.20 3.55 0.27 0.00 -1.26 -4.76 105.19 100.48 1qy2 n GLY 86 Ca -0.32 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.10 1qy2 n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1qy2 s PHE 87 N 0.00 3.17 0.07 1.61 5.36 0.34 -4.46 117.98 124.08 1qy2 s PHE 87 Ca 0.00 -0.12 0.09 0.00 -0.96 0.00 0.00 56.93 55.94 1qy2 s PHE 87 Cb 0.00 -2.15 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 1qy2 s PHE 87 CO 0.00 -0.06 -0.25 -0.80 -1.46 0.00 0.00 175.22 172.65 1qy2 s ASN 88 N 0.92 3.35 0.02 6.13 0.01 -0.33 -0.95 114.94 124.09 1qy2 s ASN 88 Ca 0.04 -0.61 0.03 0.00 -0.71 0.00 0.00 52.86 51.62 1qy2 s ASN 88 Cb -0.14 -0.33 -0.01 0.00 0.41 0.00 0.00 41.25 41.17 1qy2 s ASN 88 CO 0.03 0.23 -0.11 0.42 -1.51 0.00 0.00 177.10 176.16 1qy2 s THR 89 N -0.91 0.83 0.12 1.60 -4.23 -0.73 -0.81 115.64 111.51 1qy2 s THR 89 Ca 0.13 -0.70 -0.09 0.00 -1.18 0.00 0.00 61.69 59.85 1qy2 s THR 89 Cb -0.10 -0.74 -0.00 0.00 1.34 0.00 0.00 72.50 72.99 1qy2 s THR 89 CO 0.04 0.05 0.24 0.72 -0.54 0.00 0.00 174.62 175.12 1qy2 s PHE 90 N -0.60 0.22 0.21 3.99 -0.71 0.84 -0.79 117.98 121.13 1qy2 s PHE 90 Ca 0.01 -0.62 0.00 0.00 -1.04 0.00 0.00 56.93 55.28 1qy2 s PHE 90 Cb -0.06 -0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 41.66 1qy2 s PHE 90 CO 0.00 -0.62 0.08 0.95 -1.34 0.00 0.00 175.22 174.30 1qy2 s THR 91 N -3.90 0.37 -0.56 -4.49 -4.23 -0.46 -0.64 115.64 101.73 1qy2 s THR 91 Ca 0.09 -1.98 -0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1qy2 s THR 91 Cb 0.04 -2.42 0.14 0.00 1.34 0.00 0.00 72.50 71.60 1qy2 s THR 91 CO -0.07 -0.15 0.34 -0.63 -0.54 0.00 0.00 174.62 173.56 1qy2 s ILE 92 N -3.89 3.22 0.46 2.99 1.01 -1.26 -1.26 121.20 122.47 1qy2 s ILE 92 Ca 0.34 -2.97 0.28 0.00 0.00 0.00 0.00 60.65 58.29 1qy2 s ILE 92 Cb 0.07 -3.16 0.31 0.00 0.01 0.00 0.00 42.46 39.69 1qy2 s ILE 92 CO 0.10 -0.82 2.12 -0.65 0.00 0.00 0.00 174.94 175.68 1qy2 h PRO 93 N 6.97 0.00 -2.20 2.79 0.11 -1.85 0.81 132.00 138.63 1qy2 h PRO 93 Ca -0.05 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1qy2 h PRO 93 Cb 0.94 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.83 1qy2 h PRO 93 CO 0.69 0.09 -0.04 0.21 -0.21 0.00 0.00 178.00 178.74 1qy2 s LYS 94 N -4.31 0.66 -0.02 1.05 2.47 -1.22 -4.30 119.74 114.08 1qy2 s LYS 94 Ca -0.03 1.01 -0.21 0.00 -1.56 0.00 0.00 55.97 55.18 1qy2 s LYS 94 Cb 0.14 0.20 0.04 0.00 -1.46 0.00 0.00 37.83 36.74 1qy2 s LYS 94 CO 0.58 -0.13 0.44 -0.08 0.16 0.00 0.00 175.35 176.32 1qy2 s THR 95 N 1.08 0.04 -0.87 3.43 -1.32 -0.26 -0.62 115.64 117.13 1qy2 s THR 95 Ca -0.06 -0.31 0.10 0.00 -1.21 0.00 0.00 61.69 60.21 1qy2 s THR 95 Cb -0.05 -0.77 0.29 0.00 -1.51 0.00 0.00 72.50 70.45 1qy2 s THR 95 CO -0.10 -0.17 1.24 -0.90 -2.21 0.00 0.00 174.62 172.48 1qy2 n ASP 96 N 1.08 2.89 0.00 8.08 5.75 -1.02 -1.28 116.55 132.05 1qy2 n ASP 96 Ca -0.20 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 1qy2 n ASP 96 Cb 0.57 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1qy2 n ASP 96 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1qy2 n TYR 97 N 0.45 0.00 0.27 2.11 4.01 -1.24 -4.42 117.16 118.34 1qy2 n TYR 97 Ca 0.11 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.97 1qy2 n TYR 97 Cb 0.42 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.52 1qy2 n TYR 97 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1qy2 h ASP 98 N 0.00 0.00 0.00 7.72 3.32 -1.94 -3.43 116.42 122.09 1qy2 h ASP 98 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1qy2 h ASP 98 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1qy2 h ASP 98 CO 0.00 0.04 -0.20 0.59 -1.72 0.00 0.00 179.24 177.95 1qy2 n ASN 99 N -2.52 0.60 -4.28 6.45 3.02 -1.26 -4.72 115.26 112.55 1qy2 n ASN 99 Ca 0.01 0.17 -0.15 0.00 -0.03 0.00 0.00 54.58 54.58 1qy2 n ASN 99 Cb 0.51 -0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.46 1qy2 n ASN 99 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1qy2 s PHE 100 N -2.00 1.40 -0.03 3.10 -0.12 -1.26 -1.24 117.98 117.83 1qy2 s PHE 100 Ca 0.00 -0.75 -0.00 0.00 -0.05 0.00 0.00 56.93 56.13 1qy2 s PHE 100 Cb 0.00 -0.72 0.03 0.00 -0.63 0.00 0.00 43.02 41.70 1qy2 s PHE 100 CO 0.00 0.12 0.02 -1.17 -0.05 0.00 0.00 175.22 174.14 1qy2 s LEU 101 N -3.22 0.96 -0.19 -1.99 0.20 -0.04 -2.44 118.68 111.97 1qy2 s LEU 101 Ca 0.20 -0.00 -0.02 0.00 0.69 0.00 0.00 54.13 55.00 1qy2 s LEU 101 Cb 0.02 -0.19 -0.00 0.00 -0.43 0.00 0.00 46.19 45.59 1qy2 s LEU 101 CO 0.03 -0.13 -0.10 -0.04 -0.29 0.00 0.00 176.35 175.82 1qy2 s MET 102 N 1.26 3.28 0.07 1.98 -1.94 0.21 -0.42 119.30 123.74 1qy2 s MET 102 Ca -0.07 -0.69 0.06 0.00 -1.71 0.00 0.00 55.69 53.29 1qy2 s MET 102 Cb -0.13 -2.84 -0.04 0.00 2.01 0.00 0.00 34.83 33.83 1qy2 s MET 102 CO -0.02 -0.13 -0.10 0.00 -0.01 0.00 0.00 175.02 174.76 1qy2 s ALA 103 N 1.24 2.94 -0.12 3.03 0.00 -0.53 -2.64 121.76 125.68 1qy2 s ALA 103 Ca 0.03 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1qy2 s ALA 103 Cb -0.14 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1qy2 s ALA 103 CO -0.04 0.63 -0.12 -1.58 0.00 0.00 0.00 175.76 174.65 1qy2 s HIS 104 N -1.12 1.83 0.04 0.00 5.65 -0.39 -1.35 115.29 119.95 1qy2 s HIS 104 Ca 0.20 -0.94 0.08 0.00 0.25 0.00 0.00 55.06 54.64 1qy2 s HIS 104 Cb -0.11 -1.39 -0.03 0.00 -1.18 0.00 0.00 32.58 29.87 1qy2 s HIS 104 CO 0.11 -0.55 -0.23 -1.17 -0.65 0.00 0.00 174.74 172.26 1qy2 s LEU 105 N 1.41 2.15 -0.15 8.88 0.20 0.13 -1.35 118.68 129.95 1qy2 s LEU 105 Ca 0.01 -0.53 0.02 0.00 0.69 0.00 0.00 54.13 54.32 1qy2 s LEU 105 Cb -0.13 -1.09 0.01 0.00 -0.43 0.00 0.00 46.19 44.54 1qy2 s LEU 105 CO -0.07 0.21 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.37 1qy2 s ILE 106 N -0.76 2.26 0.01 6.68 -1.09 0.03 -0.59 121.20 127.74 1qy2 s ILE 106 Ca 0.09 -0.91 0.02 0.00 -2.23 0.00 0.00 60.65 57.62 1qy2 s ILE 106 Cb -0.09 -1.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 1qy2 s ILE 106 CO 0.02 0.54 0.01 0.21 -1.23 0.00 0.00 174.94 174.48 1qy2 s ASN 107 N 0.83 5.17 -0.06 3.58 3.84 -0.43 -1.77 114.94 126.10 1qy2 s ASN 107 Ca -0.06 -0.01 -0.01 0.00 0.21 0.00 0.00 52.86 52.99 1qy2 s ASN 107 Cb -0.15 -1.35 0.03 0.00 -0.55 0.00 0.00 41.25 39.22 1qy2 s ASN 107 CO -0.02 0.27 0.00 -1.61 -2.79 0.00 0.00 177.10 172.95 1qy2 s GLU 108 N -1.66 0.53 -0.10 0.43 2.02 -0.12 -1.89 118.70 117.91 1qy2 s GLU 108 Ca 0.21 0.10 -0.08 0.00 0.02 0.00 0.00 54.97 55.22 1qy2 s GLU 108 Cb -0.12 -0.84 0.03 0.00 0.10 0.00 0.00 34.13 33.30 1qy2 s GLU 108 CO 0.12 -0.25 0.25 0.21 0.02 0.00 0.00 175.26 175.60 1qy2 s LYS 109 N 1.72 0.27 -1.38 1.61 2.20 -1.07 -0.50 119.74 122.58 1qy2 s LYS 109 Ca 0.01 0.41 -0.10 0.00 -0.36 0.00 0.00 55.97 55.92 1qy2 s LYS 109 Cb -0.13 0.07 0.08 0.00 -1.51 0.00 0.00 37.83 36.33 1qy2 s LYS 109 CO -0.04 -0.07 0.59 -0.25 -0.36 0.00 0.00 175.35 175.22 1qy2 n ASP 110 N 3.33 -4.06 0.00 1.43 10.43 -1.26 -1.12 116.55 125.30 1qy2 n ASP 110 Ca -0.16 -0.48 0.00 0.00 2.57 0.00 0.00 54.79 56.71 1qy2 n ASP 110 Cb 0.57 -3.33 0.00 0.00 1.84 0.00 0.00 41.12 40.20 1qy2 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1qy2 n GLY 111 N -1.29 0.87 2.21 0.44 0.00 -1.26 -5.02 105.19 101.14 1qy2 n GLY 111 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1qy2 n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qy2 n GLU 112 N -2.15 0.91 -3.57 1.61 1.02 -0.28 -5.15 120.64 113.04 1qy2 n GLU 112 Ca 0.00 -1.90 -0.11 0.00 -0.02 0.00 0.00 57.16 55.14 1qy2 n GLU 112 Cb 0.00 0.06 -0.03 0.00 -0.02 0.00 0.00 31.44 31.46 1qy2 n GLU 112 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1qy2 s THR 113 N -1.35 0.01 0.18 2.62 -1.32 -1.26 -2.61 115.64 111.92 1qy2 s THR 113 Ca 0.25 -0.36 -0.23 0.00 -1.21 0.00 0.00 61.69 60.15 1qy2 s THR 113 Cb -0.02 -1.27 0.06 0.00 -1.51 0.00 0.00 72.50 69.76 1qy2 s THR 113 CO 0.16 -0.06 0.62 0.72 -2.21 0.00 0.00 174.62 173.85 1qy2 s PHE 114 N -3.80 -0.47 -0.11 9.09 -0.12 -0.79 -4.99 117.98 116.77 1qy2 s PHE 114 Ca 0.04 0.22 -0.05 0.00 -0.05 0.00 0.00 56.93 57.09 1qy2 s PHE 114 Cb -0.01 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 1qy2 s PHE 114 CO -0.08 -0.92 0.08 -0.65 -0.05 0.00 0.00 175.22 173.60 1qy2 s GLN 115 N -3.78 3.31 -0.02 1.99 -0.21 -1.26 -1.32 119.66 118.37 1qy2 s GLN 115 Ca 0.03 -0.26 0.06 0.00 0.02 0.00 0.00 55.36 55.20 1qy2 s GLN 115 Cb -0.02 -3.03 -0.01 0.00 1.00 0.00 0.00 33.01 30.95 1qy2 s GLN 115 CO -0.09 0.70 -0.20 -1.17 -2.12 0.00 0.00 175.29 172.40 1qy2 s LEU 116 N -0.83 2.03 -0.01 2.90 0.20 0.24 -2.58 118.68 120.63 1qy2 s LEU 116 Ca 0.13 -0.37 0.05 0.00 0.69 0.00 0.00 54.13 54.63 1qy2 s LEU 116 Cb -0.12 -1.05 -0.01 0.00 -0.43 0.00 0.00 46.19 44.58 1qy2 s LEU 116 CO 0.03 0.24 -0.16 -0.04 -0.29 0.00 0.00 176.35 176.13 1qy2 s MET 117 N -0.43 1.35 0.04 1.98 -1.94 -0.11 0.19 119.30 120.37 1qy2 s MET 117 Ca 0.07 -0.58 0.04 0.00 -1.71 0.00 0.00 55.69 53.51 1qy2 s MET 117 Cb -0.08 -1.29 -0.02 0.00 2.01 0.00 0.00 34.83 35.45 1qy2 s MET 117 CO -0.00 0.34 -0.13 0.20 -0.01 0.00 0.00 175.02 175.41 1qy2 s GLY 118 N -0.34 0.73 -0.18 -0.03 0.00 -0.45 -0.39 107.32 106.66 1qy2 s GLY 118 Ca 0.05 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 44.01 1qy2 s GLY 118 CO -0.00 -0.76 -0.20 -2.27 0.00 0.00 0.00 173.10 169.87 1qy2 s LEU 119 N -1.09 2.12 0.09 0.66 2.96 0.22 -1.45 118.68 122.19 1qy2 s LEU 119 Ca 0.01 -0.64 0.10 0.00 -0.22 0.00 0.00 54.13 53.37 1qy2 s LEU 119 Cb -0.08 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 1qy2 s LEU 119 CO 0.01 -0.00 -0.27 -0.31 -1.32 0.00 0.00 176.35 174.46 1qy2 s TYR 120 N 1.29 2.32 0.19 5.38 2.02 0.43 -0.62 117.35 128.36 1qy2 s TYR 120 Ca 0.05 -0.40 0.09 0.00 -0.37 0.00 0.00 57.07 56.44 1qy2 s TYR 120 Cb -0.13 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 1qy2 s TYR 120 CO -0.13 0.24 -0.18 0.20 -1.57 0.00 0.00 175.55 174.12 1qy2 s GLY 121 N -1.67 1.48 0.20 0.71 0.00 0.25 -0.86 107.32 107.44 1qy2 s GLY 121 Ca 0.13 -1.60 -0.04 0.00 0.00 0.00 0.00 44.72 43.20 1qy2 s GLY 121 CO 0.04 -1.67 1.59 3.21 0.00 0.00 0.00 173.10 176.27 1qy2 h ARG 122 N 2.90 0.72 -6.42 2.90 2.47 -1.42 0.19 114.38 115.71 1qy2 h ARG 122 Ca -0.41 -0.33 -0.46 0.00 -1.26 0.00 0.00 59.98 57.52 1qy2 h ARG 122 Cb 1.22 -0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.54 1qy2 h ARG 122 CO 0.55 0.94 -0.24 -1.21 0.56 0.00 0.00 179.97 180.58 1qy2 s GLU 123 N -4.42 2.63 0.00 0.04 2.02 -1.26 -4.62 118.70 113.09 1qy2 s GLU 123 Ca -0.09 -1.42 0.11 0.00 0.02 0.00 0.00 54.97 53.59 1qy2 s GLU 123 Cb 0.12 -2.64 0.60 0.00 0.10 0.00 0.00 34.13 32.31 1qy2 s GLU 123 CO 0.84 -0.42 1.13 -2.30 0.02 0.00 0.00 175.26 174.53 1qy2 n PRO 124 N -1.89 0.27 -4.02 0.39 -0.02 -1.26 -4.56 135.00 123.91 1qy2 n PRO 124 Ca 0.09 0.07 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 1qy2 n PRO 124 Cb 0.60 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 1qy2 n PRO 124 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1qy2 s ASP 125 N -2.20 0.08 0.22 2.55 -1.08 -1.26 -4.80 116.67 110.18 1qy2 s ASP 125 Ca 0.14 -1.05 0.02 0.00 -0.52 0.00 0.00 52.55 51.14 1qy2 s ASP 125 Cb 0.07 0.60 -0.05 0.00 -1.46 0.00 0.00 42.92 42.08 1qy2 s ASP 125 CO 0.14 -1.17 0.04 -0.76 0.52 0.00 0.00 175.17 173.93 1qy2 s LEU 126 N -3.06 1.96 0.76 -1.34 1.43 -1.26 -4.80 118.68 112.37 1qy2 s LEU 126 Ca 0.24 -1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 51.96 1qy2 s LEU 126 Cb -0.00 -0.09 0.05 0.00 0.03 0.00 0.00 46.19 46.18 1qy2 s LEU 126 CO 0.11 -0.61 1.12 -0.94 0.23 0.00 0.00 176.35 176.26 1qy2 s SER 127 N -3.26 4.37 0.37 2.29 1.04 -1.26 -4.87 113.70 112.38 1qy2 s SER 127 Ca 0.30 2.01 0.09 0.00 0.48 0.00 0.00 55.95 58.83 1qy2 s SER 127 Cb 0.07 -2.55 0.73 0.00 0.10 0.00 0.00 66.02 64.37 1qy2 s SER 127 CO 0.09 -2.13 1.89 0.77 0.98 0.00 0.00 173.24 174.83 1qy2 h SER 128 N -0.81 0.25 -0.71 7.02 4.64 -2.01 -1.87 113.55 120.05 1qy2 h SER 128 Ca -0.45 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 60.75 1qy2 h SER 128 Cb 1.25 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1qy2 h SER 128 CO 0.50 0.43 0.17 0.44 -0.87 0.00 0.00 176.83 177.50 1qy2 h ASP 129 N 0.25 1.08 -0.37 4.97 3.32 -1.99 -0.48 116.42 123.20 1qy2 h ASP 129 Ca 0.05 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.75 1qy2 h ASP 129 Cb 0.42 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1qy2 h ASP 129 CO 0.03 1.04 -0.19 0.40 -1.72 0.00 0.00 179.24 178.80 1qy2 h ILE 130 N 1.08 1.27 -0.54 0.35 1.08 -1.83 -1.21 117.51 117.71 1qy2 h ILE 130 Ca 0.22 -1.31 -0.00 0.00 -0.39 0.00 0.00 64.86 63.38 1qy2 h ILE 130 Cb 0.37 1.13 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 1qy2 h ILE 130 CO 0.00 0.45 0.32 0.11 -0.69 0.00 0.00 178.15 178.34 1qy2 h LYS 131 N 0.75 0.73 -0.21 2.37 1.57 -0.99 -0.89 116.57 119.90 1qy2 h LYS 131 Ca 0.11 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.65 1qy2 h LYS 131 Cb 0.71 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1qy2 h LYS 131 CO 0.05 0.51 -0.59 1.49 -0.57 0.00 0.00 179.45 180.34 1qy2 h GLU 132 N 0.74 0.69 -0.61 3.15 4.57 -0.78 -1.52 114.58 120.82 1qy2 h GLU 132 Ca 0.20 -0.46 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 1qy2 h GLU 132 Cb -0.03 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1qy2 h GLU 132 CO -0.04 1.08 0.28 0.00 -1.18 0.00 0.00 179.01 179.16 1qy2 h ARG 133 N 0.52 0.87 -0.26 1.92 3.08 -0.46 -0.38 114.38 119.66 1qy2 h ARG 133 Ca -0.00 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1qy2 h ARG 133 Cb 1.18 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1qy2 h ARG 133 CO 0.12 0.68 0.03 0.35 -1.07 0.00 0.00 179.97 180.08 1qy2 h PHE 134 N 0.86 0.47 -0.86 3.04 3.57 -0.94 -1.39 116.94 121.69 1qy2 h PHE 134 Ca 0.21 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1qy2 h PHE 134 Cb 0.11 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 1qy2 h PHE 134 CO 0.01 0.57 0.52 0.00 -2.23 0.00 0.00 178.31 177.18 1qy2 h ALA 135 N 0.85 1.20 -0.61 2.41 0.00 -0.39 0.35 119.26 123.06 1qy2 h ALA 135 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qy2 h ALA 135 Cb 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1qy2 h ALA 135 CO 0.01 0.23 0.38 1.96 0.00 0.00 0.00 179.25 181.83 1qy2 h GLN 136 N 0.93 0.81 -0.54 0.00 1.08 -0.78 -0.93 115.11 115.68 1qy2 h GLN 136 Ca 0.39 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.46 1qy2 h GLN 136 Cb 0.23 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1qy2 h GLN 136 CO -0.20 0.57 0.08 1.25 -0.95 0.00 0.00 178.83 179.58 1qy2 h LEU 137 N 0.82 0.82 -0.81 1.46 5.85 -0.20 -2.16 115.31 121.08 1qy2 h LEU 137 Ca 0.22 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1qy2 h LEU 137 Cb -0.05 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1qy2 h LEU 137 CO -0.04 0.83 0.28 0.00 -0.34 0.00 0.00 178.44 179.17 1qy2 h GLU 139 N 1.13 0.40 0.00 0.00 4.81 -0.73 -0.24 114.58 119.95 1qy2 h GLU 139 Ca 0.25 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1qy2 h GLU 139 Cb 0.25 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1qy2 h GLU 139 CO -0.02 0.47 0.00 0.39 -0.73 0.00 0.00 179.01 179.12 1qy2 n GLU 140 N -4.29 0.20 -0.28 1.92 1.02 -0.85 -1.72 120.64 116.63 1qy2 n GLU 140 Ca 0.01 0.43 0.07 0.00 -0.02 0.00 0.00 57.16 57.65 1qy2 n GLU 140 Cb 0.25 -1.88 0.20 0.00 -0.02 0.00 0.00 31.44 29.99 1qy2 n GLU 140 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1qy2 n HIS 141 N -2.25 0.67 -2.31 -0.32 8.25 -0.20 -4.97 115.22 114.09 1qy2 n HIS 141 Ca 0.02 -0.58 -0.08 0.00 -0.26 0.00 0.00 57.72 56.81 1qy2 n HIS 141 Cb 0.22 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1qy2 n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qy2 n GLY 142 N 0.43 0.10 3.22 -1.41 0.00 -0.70 -5.01 105.19 101.81 1qy2 n GLY 142 Ca 0.15 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1qy2 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qy2 s ILE 143 N -2.55 2.98 0.61 -0.61 1.01 -0.61 -4.96 121.20 117.07 1qy2 s ILE 143 Ca 0.04 -0.95 -0.18 0.00 0.00 0.00 0.00 60.65 59.56 1qy2 s ILE 143 Cb -0.02 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1qy2 s ILE 143 CO 0.05 0.22 1.18 -0.76 0.00 0.00 0.00 174.94 175.63 1qy2 s LEU 144 N 1.35 3.60 0.49 2.97 1.43 -1.26 -3.65 118.68 123.61 1qy2 s LEU 144 Ca 0.01 2.28 0.15 0.00 -1.03 0.00 0.00 54.13 55.53 1qy2 s LEU 144 Cb -0.16 -4.59 1.17 0.00 0.03 0.00 0.00 46.19 42.64 1qy2 s LEU 144 CO -0.04 -1.60 2.11 0.03 0.23 0.00 0.00 176.35 177.08 1qy2 h ARG 145 N 0.67 0.07 0.00 1.70 3.08 -1.95 -0.17 114.38 117.78 1qy2 h ARG 145 Ca -0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1qy2 h ARG 145 Cb 1.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1qy2 h ARG 145 CO 0.55 0.08 0.00 -0.85 -1.07 0.00 0.00 179.97 178.67 1qy2 n GLU 146 N -4.49 0.04 -0.38 0.04 0.28 -1.26 -0.79 120.64 114.08 1qy2 n GLU 146 Ca -0.02 0.30 0.08 0.00 -0.16 0.00 0.00 57.16 57.35 1qy2 n GLU 146 Cb 0.11 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 31.73 1qy2 n GLU 146 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1qy2 n ASN 147 N -1.43 3.72 -4.45 -1.84 5.03 -0.08 -4.91 115.26 111.30 1qy2 n ASN 147 Ca 0.03 -2.45 -0.34 0.00 0.87 0.00 0.00 54.58 52.69 1qy2 n ASN 147 Cb 0.09 -0.42 -0.13 0.00 -1.02 0.00 0.00 39.78 38.30 1qy2 n ASN 147 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1qy2 s ILE 148 N -1.81 3.70 -0.22 2.41 1.01 0.03 -2.19 121.20 124.14 1qy2 s ILE 148 Ca 0.37 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1qy2 s ILE 148 Cb 0.25 -2.63 0.04 0.00 0.01 0.00 0.00 42.46 40.13 1qy2 s ILE 148 CO 0.16 0.48 -0.15 -0.63 0.00 0.00 0.00 174.94 174.80 1qy2 s ILE 149 N 0.56 2.10 -0.18 2.92 1.01 0.14 -4.98 121.20 122.77 1qy2 s ILE 149 Ca -0.04 -1.28 -0.29 0.00 0.00 0.00 0.00 60.65 59.04 1qy2 s ILE 149 Cb -0.15 -2.06 -0.00 0.00 0.01 0.00 0.00 42.46 40.26 1qy2 s ILE 149 CO 0.03 0.25 1.08 -0.62 0.00 0.00 0.00 174.94 175.68 1qy2 s ASP 150 N 1.20 7.10 -0.12 3.58 -1.08 -1.26 -1.49 116.67 124.61 1qy2 s ASP 150 Ca -0.02 1.50 0.15 0.00 -0.52 0.00 0.00 52.55 53.66 1qy2 s ASP 150 Cb -0.17 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.21 1qy2 s ASP 150 CO -0.09 -0.63 1.37 0.18 0.52 0.00 0.00 175.17 176.52 1qy2 n LEU 151 N 5.99 3.60 0.24 -1.34 4.77 0.16 -4.62 117.00 125.79 1qy2 n LEU 151 Ca 0.12 -2.66 0.11 0.00 -0.03 0.00 0.00 56.01 53.54 1qy2 n LEU 151 Cb 0.46 -0.44 0.56 0.00 -2.33 0.00 0.00 43.42 41.67 1qy2 n LEU 151 CO 0.53 0.69 0.86 0.77 -1.33 0.00 0.00 177.39 178.91 1qy2 h SER 152 N 1.94 0.00 -0.26 -1.43 4.64 -1.77 -0.26 113.55 116.42 1qy2 h SER 152 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qy2 h SER 152 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1qy2 h SER 152 CO 0.15 0.19 0.00 -3.20 -0.87 0.00 0.00 176.83 173.11 1qy2 n ASN 153 N -3.48 1.55 -1.23 4.97 2.85 -1.26 -4.18 115.26 114.49 1qy2 n ASN 153 Ca -0.01 -2.04 -0.03 0.00 -0.11 0.00 0.00 54.58 52.39 1qy2 n ASN 153 Cb 0.36 -0.22 -0.03 0.00 1.24 0.00 0.00 39.78 41.13 1qy2 n ASN 153 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qy2 n ALA 154 N 0.26 3.27 0.16 5.20 0.00 -0.15 -4.95 120.51 124.30 1qy2 n ALA 154 Ca 0.09 -1.27 0.12 0.00 0.00 0.00 0.00 53.44 52.37 1qy2 n ALA 154 Cb 0.26 -0.48 0.23 0.00 0.00 0.00 0.00 19.45 19.46 1qy2 n ALA 154 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1qy2 n ASN 155 N 0.12 3.56 -4.57 0.00 2.04 -0.92 -4.93 115.26 110.57 1qy2 n ASN 155 Ca -0.16 -1.99 -0.32 0.00 -0.44 0.00 0.00 54.58 51.66 1qy2 n ASN 155 Cb 0.86 -0.30 -0.11 0.00 -2.53 0.00 0.00 39.78 37.70 1qy2 n ASN 155 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1qy2 s ARG 156 N -1.37 2.54 0.00 -3.83 0.52 -1.26 -4.95 118.95 110.60 1qy2 s ARG 156 Ca 0.40 -0.71 0.31 0.00 -0.52 0.00 0.00 55.73 55.22 1qy2 s ARG 156 Cb 0.23 -2.48 1.65 0.00 0.52 0.00 0.00 34.95 34.87 1qy2 s ARG 156 CO 0.32 0.61 2.08 0.00 0.02 0.00 0.00 175.30 178.33