#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qy1 s GLU 2 N 0.00 1.43 0.24 3.44 2.02 -1.26 -4.55 118.70 120.01 1qy1 s GLU 2 Ca 0.00 -1.64 -0.13 0.00 0.02 0.00 0.00 54.97 53.22 1qy1 s GLU 2 Cb 0.00 -1.28 -0.00 0.00 0.10 0.00 0.00 34.13 32.94 1qy1 s GLU 2 CO 0.00 0.21 0.48 0.00 0.02 0.00 0.00 175.26 175.97 1qy1 s ALA 3 N -2.86 -0.30 0.06 5.21 0.00 -0.43 -4.97 121.76 118.48 1qy1 s ALA 3 Ca 0.25 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.47 1qy1 s ALA 3 Cb -0.02 1.04 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 1qy1 s ALA 3 CO 0.09 -0.84 -0.23 0.45 0.00 0.00 0.00 175.76 175.22 1qy1 s SER 4 N -3.00 2.80 0.53 0.00 0.15 -1.26 -1.25 113.70 111.67 1qy1 s SER 4 Ca 0.21 -0.59 0.28 0.00 0.70 0.00 0.00 55.95 56.55 1qy1 s SER 4 Cb -0.01 -0.22 1.50 0.00 -1.71 0.00 0.00 66.02 65.58 1qy1 s SER 4 CO 0.08 0.18 2.09 0.77 1.20 0.00 0.00 173.24 177.56 1qy1 h SER 5 N 4.63 0.00 0.30 5.45 4.64 -0.97 -1.21 113.55 126.40 1qy1 h SER 5 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1qy1 h SER 5 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1qy1 h SER 5 CO 0.43 0.10 -0.16 0.35 -0.87 0.00 0.00 176.83 176.68 1qy1 n THR 6 N -3.65 0.00 -2.34 2.95 -2.24 -1.26 -3.51 114.28 104.23 1qy1 n THR 6 Ca -0.02 -0.09 -0.30 0.00 -2.27 0.00 0.00 64.05 61.37 1qy1 n THR 6 Cb 0.22 0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1qy1 n THR 6 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qy1 s GLY 7 N -2.47 1.71 0.41 3.38 0.00 -0.46 -4.92 107.32 104.98 1qy1 s GLY 7 Ca 0.28 -0.20 0.17 0.00 0.00 0.00 0.00 44.72 44.96 1qy1 s GLY 7 CO 0.49 0.02 1.87 -0.09 0.00 0.00 0.00 173.10 175.39 1qy1 h ARG 8 N 0.28 0.00 -0.54 2.90 9.65 -1.90 -3.01 114.38 121.75 1qy1 h ARG 8 Ca -0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1qy1 h ARG 8 Cb 1.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1qy1 h ARG 8 CO 0.62 0.31 0.00 0.27 2.80 0.00 0.00 179.97 183.97 1qy1 n ASN 9 N -3.90 2.97 -4.75 -3.80 2.04 -1.26 -4.96 115.26 101.59 1qy1 n ASN 9 Ca -0.02 -1.99 -0.41 0.00 -0.44 0.00 0.00 54.58 51.72 1qy1 n ASN 9 Cb 0.38 -0.36 -0.02 0.00 -2.53 0.00 0.00 39.78 37.25 1qy1 n ASN 9 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 1qy1 s PHE 10 N -1.28 2.81 -0.45 -2.53 5.36 -1.14 -4.97 117.98 115.79 1qy1 s PHE 10 Ca 0.37 0.79 0.04 0.00 -0.96 0.00 0.00 56.93 57.17 1qy1 s PHE 10 Cb 0.19 -4.03 0.12 0.00 -0.34 0.00 0.00 43.02 38.97 1qy1 s PHE 10 CO 0.26 -3.47 0.19 1.21 -1.46 0.00 0.00 175.22 171.94 1qy1 s ASN 11 N 0.53 4.37 0.48 6.13 3.04 -1.26 -4.98 114.94 123.25 1qy1 s ASN 11 Ca 0.63 -2.67 0.16 0.00 0.04 0.00 0.00 52.86 51.03 1qy1 s ASN 11 Cb -0.47 -1.54 1.17 0.00 -1.54 0.00 0.00 41.25 38.87 1qy1 s ASN 11 CO 0.46 -0.29 2.05 0.58 -3.04 0.00 0.00 177.10 176.86 1qy1 h VAL 12 N 5.84 0.92 -0.31 -5.21 2.07 -1.99 -1.58 116.25 115.99 1qy1 h VAL 12 Ca -0.06 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.45 1qy1 h VAL 12 Cb 0.94 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1qy1 h VAL 12 CO 0.61 0.04 0.22 -0.33 0.02 0.00 0.00 177.57 178.13 1qy1 h GLU 13 N 0.20 0.13 0.00 1.57 5.08 -1.97 -1.79 114.58 117.80 1qy1 h GLU 13 Ca 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1qy1 h GLU 13 Cb 0.40 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1qy1 h GLU 13 CO -0.03 0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.70 1qy1 n LYS 14 N -4.47 0.04 -0.11 2.33 5.02 -0.59 -1.90 118.16 118.47 1qy1 n LYS 14 Ca 0.04 0.26 0.12 0.00 -2.02 0.00 0.00 58.31 56.71 1qy1 n LYS 14 Cb 0.30 -1.57 0.27 0.00 -0.02 0.00 0.00 35.03 34.01 1qy1 n LYS 14 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1qy1 n ILE 15 N -1.64 0.29 -2.00 -0.18 -5.35 -0.67 -4.83 119.36 104.98 1qy1 n ILE 15 Ca 0.03 -0.54 -0.38 0.00 -0.27 0.00 0.00 62.75 61.60 1qy1 n ILE 15 Cb 0.19 0.84 0.02 0.00 -1.74 0.00 0.00 39.64 38.95 1qy1 n ILE 15 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1qy1 s ASN 16 N -1.64 5.69 0.00 7.28 2.47 -0.80 -4.69 114.94 123.26 1qy1 s ASN 16 Ca 0.35 2.56 0.00 0.00 0.42 0.00 0.00 52.86 56.19 1qy1 s ASN 16 Cb 0.21 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 1qy1 s ASN 16 CO 0.30 -1.27 0.00 0.61 -3.72 0.00 0.00 177.10 173.02 1qy1 n GLY 17 N 0.60 -0.10 3.74 1.21 0.00 0.10 -4.93 105.19 105.82 1qy1 n GLY 17 Ca 0.09 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 1qy1 n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qy1 s GLU 18 N 0.00 4.38 0.08 1.61 2.12 -1.26 -1.28 118.70 124.35 1qy1 s GLU 18 Ca 0.00 2.09 -0.10 0.00 0.36 0.00 0.00 54.97 57.32 1qy1 s GLU 18 Cb 0.00 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1qy1 s GLU 18 CO 0.00 -0.25 0.22 -1.58 -0.54 0.00 0.00 175.26 173.11 1qy1 s TRP 19 N -0.09 0.08 0.01 5.30 0.52 -0.96 -4.59 118.94 119.21 1qy1 s TRP 19 Ca 0.56 -0.44 0.01 0.00 0.02 0.00 0.00 56.10 56.25 1qy1 s TRP 19 Cb -0.37 -0.01 -0.01 0.00 -1.15 0.00 0.00 33.47 31.92 1qy1 s TRP 19 CO 0.40 -0.53 -0.05 -1.01 0.02 0.00 0.00 176.95 175.79 1qy1 s HIS 20 N -3.48 0.42 -0.11 -1.98 3.76 0.30 -3.46 115.29 110.73 1qy1 s HIS 20 Ca 0.02 -0.20 -0.30 0.00 -0.15 0.00 0.00 55.06 54.44 1qy1 s HIS 20 Cb 0.03 -0.26 -0.02 0.00 1.11 0.00 0.00 32.58 33.43 1qy1 s HIS 20 CO -0.09 -0.04 1.28 0.99 -0.85 0.00 0.00 174.74 176.03 1qy1 s THR 21 N -0.48 4.19 -0.25 1.30 2.01 -1.24 -0.92 115.64 120.25 1qy1 s THR 21 Ca -0.02 1.47 -0.12 0.00 0.31 0.00 0.00 61.69 63.34 1qy1 s THR 21 Cb -0.04 -3.95 -0.11 0.00 0.01 0.00 0.00 72.50 68.41 1qy1 s THR 21 CO -0.00 -0.08 -0.31 -0.38 -0.69 0.00 0.00 174.62 173.15 1qy1 n ILE 22 N 5.10 1.36 -3.88 1.82 2.08 0.25 -4.55 119.36 121.55 1qy1 n ILE 22 Ca 0.13 -0.36 -0.12 0.00 0.56 0.00 0.00 62.75 62.96 1qy1 n ILE 22 Cb 0.45 -1.80 -0.14 0.00 -0.75 0.00 0.00 39.64 37.40 1qy1 n ILE 22 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1qy1 s ILE 23 N -2.46 0.01 0.15 1.39 1.01 -0.85 -0.82 121.20 119.64 1qy1 s ILE 23 Ca -0.35 -0.10 0.11 0.00 0.00 0.00 0.00 60.65 60.31 1qy1 s ILE 23 Cb 0.13 -0.06 -0.04 0.00 0.01 0.00 0.00 42.46 42.50 1qy1 s ILE 23 CO 0.44 -0.06 -0.24 -0.76 0.00 0.00 0.00 174.94 174.32 1qy1 s LEU 24 N -0.16 2.37 0.03 2.97 1.43 -0.51 -0.80 118.68 124.01 1qy1 s LEU 24 Ca -0.02 -0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 52.22 1qy1 s LEU 24 Cb -0.01 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 45.08 1qy1 s LEU 24 CO -0.00 0.13 0.13 0.00 0.23 0.00 0.00 176.35 176.83 1qy1 s ALA 25 N -1.37 -0.22 -0.17 4.21 0.00 0.40 0.08 121.76 124.69 1qy1 s ALA 25 Ca 0.16 -0.35 -0.28 0.00 0.00 0.00 0.00 51.96 51.49 1qy1 s ALA 25 Cb -0.09 0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.32 1qy1 s ALA 25 CO 0.07 -0.29 0.77 0.45 0.00 0.00 0.00 175.76 176.76 1qy1 s SER 26 N -1.85 -0.64 0.00 0.00 0.15 -0.91 -0.59 113.70 109.85 1qy1 s SER 26 Ca -0.09 0.98 0.21 0.00 0.70 0.00 0.00 55.95 57.76 1qy1 s SER 26 Cb -0.04 0.91 1.28 0.00 -1.71 0.00 0.00 66.02 66.46 1qy1 s SER 26 CO -0.02 -0.39 1.81 -0.90 1.20 0.00 0.00 173.24 174.93 1qy1 n ASP 27 N 1.72 0.00 -3.68 5.45 3.85 -1.06 -3.93 116.55 118.90 1qy1 n ASP 27 Ca -0.15 -1.28 -0.28 0.00 -0.71 0.00 0.00 54.79 52.36 1qy1 n ASP 27 Cb 0.56 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 40.21 1qy1 n ASP 27 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1qy1 s LYS 28 N -2.00 1.55 0.51 0.11 1.02 -1.26 -4.96 119.74 114.71 1qy1 s LYS 28 Ca 0.32 -2.46 0.26 0.00 0.02 0.00 0.00 55.97 54.11 1qy1 s LYS 28 Cb 0.15 -2.42 1.36 0.00 -0.52 0.00 0.00 37.83 36.40 1qy1 s LYS 28 CO 0.25 -1.26 1.93 -0.09 -0.92 0.00 0.00 175.35 175.25 1qy1 h ARG 29 N 6.00 0.09 0.00 1.68 2.43 -1.93 -1.85 114.38 120.80 1qy1 h ARG 29 Ca 0.12 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1qy1 h ARG 29 Cb 0.87 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1qy1 h ARG 29 CO 0.53 0.06 -0.02 1.05 -1.51 0.00 0.00 179.97 180.07 1qy1 h GLU 30 N 0.09 0.00 0.00 0.20 4.11 -1.95 -1.88 114.58 115.15 1qy1 h GLU 30 Ca 0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.78 1qy1 h GLU 30 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1qy1 h GLU 30 CO -0.04 0.02 -0.06 0.87 0.07 0.00 0.00 179.01 179.87 1qy1 h LYS 31 N 0.00 0.00 -0.06 1.06 6.56 -1.73 -2.95 116.57 119.46 1qy1 h LYS 31 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1qy1 h LYS 31 Cb 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 1qy1 h LYS 31 CO 0.00 0.06 0.00 0.44 -2.06 0.00 0.00 179.45 177.90 1qy1 n ILE 32 N -3.21 0.52 -1.81 1.86 -5.35 -0.73 -1.11 119.36 109.53 1qy1 n ILE 32 Ca 0.00 -0.76 -0.30 0.00 -0.27 0.00 0.00 62.75 61.42 1qy1 n ILE 32 Cb 0.31 0.78 0.19 0.00 -1.74 0.00 0.00 39.64 39.18 1qy1 n ILE 32 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1qy1 s GLU 33 N -0.66 0.44 0.28 6.28 2.02 -1.04 -4.61 118.70 121.41 1qy1 s GLU 33 Ca 0.06 -0.33 -0.00 0.00 0.02 0.00 0.00 54.97 54.71 1qy1 s GLU 33 Cb 0.03 -1.82 0.64 0.00 0.10 0.00 0.00 34.13 33.09 1qy1 s GLU 33 CO 0.05 -2.56 1.43 -0.25 0.02 0.00 0.00 175.26 173.95 1qy1 n ASP 34 N -3.89 -0.16 -1.57 -0.19 9.92 -1.26 -0.19 116.55 119.22 1qy1 n ASP 34 Ca 0.14 1.56 0.09 0.00 -0.53 0.00 0.00 54.79 56.05 1qy1 n ASP 34 Cb 0.59 -0.55 0.35 0.00 -0.64 0.00 0.00 41.12 40.88 1qy1 n ASP 34 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1qy1 n ASN 35 N -5.38 4.86 -4.80 -2.24 5.03 -1.26 -4.95 115.26 106.52 1qy1 n ASN 35 Ca 0.20 -2.59 -0.34 0.00 0.87 0.00 0.00 54.58 52.72 1qy1 n ASN 35 Cb 0.65 -0.59 -0.04 0.00 -1.02 0.00 0.00 39.78 38.78 1qy1 n ASN 35 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1qy1 s GLY 36 N -0.97 2.47 0.29 7.41 0.00 0.73 -4.92 107.32 112.32 1qy1 s GLY 36 Ca 0.50 0.56 0.25 0.00 0.00 0.00 0.00 44.72 46.04 1qy1 s GLY 36 CO 0.21 0.88 1.76 3.43 0.00 0.00 0.00 173.10 179.37 1qy1 h ASN 37 N 1.56 0.00 -0.67 1.64 -0.26 -1.84 -2.84 115.58 113.18 1qy1 h ASN 37 Ca -0.49 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.25 1qy1 h ASN 37 Cb 1.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.47 1qy1 h ASN 37 CO 0.59 0.00 0.00 0.49 -1.06 0.00 0.00 177.43 177.45 1qy1 n PHE 38 N -2.38 0.89 -2.61 1.19 3.01 -0.26 -4.67 117.46 112.62 1qy1 n PHE 38 Ca 0.03 -0.49 -0.43 0.00 1.01 0.00 0.00 57.45 57.57 1qy1 n PHE 38 Cb 0.31 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1qy1 n PHE 38 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1qy1 n ARG 39 N 1.48 3.28 -4.46 -1.08 0.63 -1.08 -4.78 116.66 110.65 1qy1 n ARG 39 Ca 0.22 -3.46 -0.34 0.00 -0.92 0.00 0.00 57.85 53.36 1qy1 n ARG 39 Cb 0.59 -3.24 -0.12 0.00 0.45 0.00 0.00 32.46 30.15 1qy1 n ARG 39 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1qy1 s LEU 40 N 2.49 3.25 -0.48 6.15 1.43 -1.26 -4.61 118.68 125.65 1qy1 s LEU 40 Ca 0.47 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 53.34 1qy1 s LEU 40 Cb 0.03 -1.76 0.08 0.00 0.03 0.00 0.00 46.19 44.57 1qy1 s LEU 40 CO 0.02 0.24 0.41 -0.36 0.23 0.00 0.00 176.35 176.89 1qy1 s PHE 41 N -0.05 3.25 0.46 0.29 0.40 -0.61 -4.81 117.98 116.91 1qy1 s PHE 41 Ca 0.01 -1.02 -0.23 0.00 -0.60 0.00 0.00 56.93 55.09 1qy1 s PHE 41 Cb -0.13 -3.29 -0.07 0.00 0.51 0.00 0.00 43.02 40.03 1qy1 s PHE 41 CO 0.03 -0.84 1.18 -1.17 0.70 0.00 0.00 175.22 175.11 1qy1 s LEU 42 N 1.63 4.02 0.00 -0.37 2.96 -1.26 -0.90 118.68 124.75 1qy1 s LEU 42 Ca 0.04 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.28 1qy1 s LEU 42 Cb -0.25 -4.23 0.00 0.00 0.50 0.00 0.00 46.19 42.21 1qy1 s LEU 42 CO 0.06 -0.93 0.00 -0.62 -1.32 0.00 0.00 176.35 173.53 1qy1 n GLU 43 N -0.48 0.15 -3.44 1.98 1.02 0.78 -3.66 120.64 116.99 1qy1 n GLU 43 Ca 0.07 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 1qy1 n GLU 43 Cb 0.48 -0.93 -0.02 0.00 -0.02 0.00 0.00 31.44 30.94 1qy1 n GLU 43 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1qy1 s GLN 44 N -1.87 1.19 -0.16 3.49 -2.07 -1.09 -2.27 119.66 116.88 1qy1 s GLN 44 Ca 0.00 -0.37 0.00 0.00 -1.82 0.00 0.00 55.36 53.18 1qy1 s GLN 44 Cb 0.00 0.55 0.02 0.00 -1.09 0.00 0.00 33.01 32.49 1qy1 s GLN 44 CO 0.00 -0.51 -0.14 0.42 -1.32 0.00 0.00 175.29 173.74 1qy1 s ILE 45 N -3.37 1.62 -0.30 3.63 1.01 -0.40 -1.53 121.20 121.85 1qy1 s ILE 45 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1qy1 s ILE 45 Cb -0.01 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 1qy1 s ILE 45 CO -0.10 0.43 0.17 -2.28 0.00 0.00 0.00 174.94 173.17 1qy1 s HIS 46 N 1.46 3.19 -0.24 3.97 2.46 -0.14 -0.72 115.29 125.27 1qy1 s HIS 46 Ca 0.04 -0.30 -0.23 0.00 0.47 0.00 0.00 55.06 55.05 1qy1 s HIS 46 Cb -0.13 -2.37 -0.01 0.00 -0.13 0.00 0.00 32.58 29.93 1qy1 s HIS 46 CO -0.11 -0.35 0.74 0.08 -2.47 0.00 0.00 174.74 172.63 1qy1 s VAL 47 N 1.68 4.91 0.54 0.89 1.01 -1.26 -0.37 120.40 127.79 1qy1 s VAL 47 Ca 0.06 1.37 0.04 0.00 0.00 0.00 0.00 61.98 63.45 1qy1 s VAL 47 Cb -0.17 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1qy1 s VAL 47 CO 0.08 -0.01 0.26 -0.76 0.00 0.00 0.00 175.10 174.67 1qy1 s LEU 48 N 2.60 2.53 0.17 3.92 1.43 -0.23 -5.00 118.68 124.09 1qy1 s LEU 48 Ca 0.31 -1.41 -0.20 0.00 -1.03 0.00 0.00 54.13 51.81 1qy1 s LEU 48 Cb -0.15 -1.01 0.09 0.00 0.03 0.00 0.00 46.19 45.14 1qy1 s LEU 48 CO 0.08 -1.03 1.63 -0.33 0.23 0.00 0.00 176.35 176.93 1qy1 h GLU 49 N 0.95 -0.16 0.00 1.70 5.08 -2.03 -3.25 114.58 116.88 1qy1 h GLU 49 Ca -0.39 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 1qy1 h GLU 49 Cb 1.31 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 30.45 1qy1 h GLU 49 CO 0.63 -0.10 -0.62 1.63 -1.00 0.00 0.00 179.01 179.54 1qy1 n LYS 50 N -5.39 0.62 -3.77 2.33 5.02 -1.26 -5.08 118.16 110.64 1qy1 n LYS 50 Ca 0.02 -2.23 -0.08 0.00 -2.02 0.00 0.00 58.31 54.00 1qy1 n LYS 50 Cb 0.30 -0.77 -0.02 0.00 -0.02 0.00 0.00 35.03 34.52 1qy1 n LYS 50 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1qy1 s SER 51 N -2.26 -0.31 -0.07 4.39 1.04 -1.23 -1.95 113.70 113.32 1qy1 s SER 51 Ca 0.28 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.26 1qy1 s SER 51 Cb 0.29 0.68 -0.00 0.00 0.10 0.00 0.00 66.02 67.08 1qy1 s SER 51 CO -0.08 -1.22 -0.21 -0.76 0.98 0.00 0.00 173.24 171.95 1qy1 s LEU 52 N -2.89 1.99 -0.30 2.42 1.43 0.44 -1.07 118.68 120.71 1qy1 s LEU 52 Ca 0.10 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 1qy1 s LEU 52 Cb -0.04 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 1qy1 s LEU 52 CO 0.02 0.17 0.25 -0.69 0.23 0.00 0.00 176.35 176.33 1qy1 s VAL 53 N 0.15 5.27 -0.25 -1.59 1.01 0.50 -0.77 120.40 124.72 1qy1 s VAL 53 Ca -0.10 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 1qy1 s VAL 53 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1qy1 s VAL 53 CO 0.05 0.15 0.13 -0.76 0.00 0.00 0.00 175.10 174.67 1qy1 s LEU 54 N 1.83 3.80 -0.19 3.92 1.43 0.85 -0.97 118.68 129.35 1qy1 s LEU 54 Ca 0.09 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1qy1 s LEU 54 Cb -0.16 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1qy1 s LEU 54 CO 0.11 -0.00 0.00 -0.54 0.23 0.00 0.00 176.35 176.15 1qy1 s LYS 55 N 1.45 3.65 0.34 1.70 1.02 -0.58 -1.28 119.74 126.03 1qy1 s LYS 55 Ca 0.06 -0.51 0.04 0.00 0.02 0.00 0.00 55.97 55.58 1qy1 s LYS 55 Cb -0.15 -3.07 -0.06 0.00 -0.52 0.00 0.00 37.83 34.03 1qy1 s LYS 55 CO 0.06 0.05 0.07 -0.06 -0.92 0.00 0.00 175.35 174.56 1qy1 s PHE 56 N 0.89 1.92 0.09 3.18 0.40 0.98 -0.16 117.98 125.28 1qy1 s PHE 56 Ca 0.01 -1.02 0.04 0.00 -0.60 0.00 0.00 56.93 55.36 1qy1 s PHE 56 Cb -0.14 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 1qy1 s PHE 56 CO 0.02 -0.05 -0.10 -3.38 0.70 0.00 0.00 175.22 172.41 1qy1 s HIS 57 N -3.30 1.04 0.36 0.36 -3.43 -0.07 -0.92 115.29 109.34 1qy1 s HIS 57 Ca 0.34 -0.61 0.09 0.00 -0.80 0.00 0.00 55.06 54.08 1qy1 s HIS 57 Cb 0.08 -0.58 -0.07 0.00 -1.43 0.00 0.00 32.58 30.58 1qy1 s HIS 57 CO 0.15 0.00 -0.04 -0.08 -2.00 0.00 0.00 174.74 172.77 1qy1 s THR 58 N -2.13 2.26 0.01 -5.38 -1.32 0.16 -1.57 115.64 107.66 1qy1 s THR 58 Ca 0.02 -2.09 0.05 0.00 -1.21 0.00 0.00 61.69 58.46 1qy1 s THR 58 Cb -0.05 -2.78 -0.01 0.00 -1.51 0.00 0.00 72.50 68.15 1qy1 s THR 58 CO 0.00 -0.14 -0.14 -0.69 -2.21 0.00 0.00 174.62 171.44 1qy1 s VAL 59 N -2.62 1.11 -0.24 5.08 1.01 -1.26 -1.22 120.40 122.25 1qy1 s VAL 59 Ca 0.34 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1qy1 s VAL 59 Cb 0.04 -0.95 0.08 0.00 0.00 0.00 0.00 36.38 35.55 1qy1 s VAL 59 CO 0.18 0.19 0.57 0.00 0.00 0.00 0.00 175.10 176.04 1qy1 s ARG 60 N -0.64 0.55 -1.51 2.72 1.04 -0.61 -4.91 118.95 115.59 1qy1 s ARG 60 Ca 0.04 1.12 -0.13 0.00 -1.04 0.00 0.00 55.73 55.71 1qy1 s ARG 60 Cb -0.06 0.24 0.10 0.00 -2.04 0.00 0.00 34.95 33.18 1qy1 s ARG 60 CO 0.00 -0.17 0.80 -0.25 -0.04 0.00 0.00 175.30 175.63 1qy1 n ASP 61 N 4.62 -4.29 -1.43 -2.89 9.92 -1.26 -0.09 116.55 121.14 1qy1 n ASP 61 Ca -0.18 -0.70 -0.14 0.00 -0.53 0.00 0.00 54.79 53.24 1qy1 n ASP 61 Cb 0.55 -3.47 -0.02 0.00 -0.64 0.00 0.00 41.12 37.55 1qy1 n ASP 61 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qy1 n GLU 62 N -4.34 -1.06 -4.32 -1.24 1.02 -1.26 -5.02 120.64 104.43 1qy1 n GLU 62 Ca 0.03 0.74 -0.27 0.00 -0.02 0.00 0.00 57.16 57.65 1qy1 n GLU 62 Cb 0.52 -4.96 -0.17 0.00 -0.02 0.00 0.00 31.44 26.82 1qy1 n GLU 62 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1qy1 s GLU 63 N -4.29 1.89 0.24 3.49 2.12 0.88 -5.14 118.70 117.89 1qy1 s GLU 63 Ca 0.00 -0.44 -0.20 0.00 0.36 0.00 0.00 54.97 54.69 1qy1 s GLU 63 Cb 0.00 -1.68 -0.08 0.00 0.26 0.00 0.00 34.13 32.63 1qy1 s GLU 63 CO 0.00 -0.10 0.75 0.00 -0.54 0.00 0.00 175.26 175.37 1qy1 s SER 65 N -1.68 0.86 0.30 0.00 0.01 -0.36 -4.94 113.70 107.88 1qy1 s SER 65 Ca 0.44 -0.13 -0.27 0.00 1.31 0.00 0.00 55.95 57.30 1qy1 s SER 65 Cb -0.16 -0.17 -0.10 0.00 0.21 0.00 0.00 66.02 65.80 1qy1 s SER 65 CO 0.21 0.06 0.95 -1.61 0.41 0.00 0.00 173.24 173.25 1qy1 s GLU 66 N 0.07 4.66 -0.05 12.44 0.41 -1.26 -0.66 118.70 134.30 1qy1 s GLU 66 Ca -0.01 1.38 -0.02 0.00 -0.41 0.00 0.00 54.97 55.92 1qy1 s GLU 66 Cb -0.05 -2.94 0.04 0.00 -1.78 0.00 0.00 34.13 29.39 1qy1 s GLU 66 CO -0.00 0.34 0.11 -1.17 -0.49 0.00 0.00 175.26 174.05 1qy1 s LEU 67 N -1.81 0.84 0.08 1.80 0.20 -0.09 -4.91 118.68 114.79 1qy1 s LEU 67 Ca 0.48 0.22 0.09 0.00 0.69 0.00 0.00 54.13 55.60 1qy1 s LEU 67 Cb -0.21 0.22 -0.03 0.00 -0.43 0.00 0.00 46.19 45.74 1qy1 s LEU 67 CO 0.26 -0.14 -0.23 -0.55 -0.29 0.00 0.00 176.35 175.40 1qy1 s SER 68 N 1.13 2.81 -0.02 3.68 0.15 -1.26 -0.02 113.70 120.17 1qy1 s SER 68 Ca -0.09 -0.64 -0.11 0.00 0.70 0.00 0.00 55.95 55.81 1qy1 s SER 68 Cb -0.12 -0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.01 1qy1 s SER 68 CO -0.05 0.15 0.23 -0.32 1.20 0.00 0.00 173.24 174.45 1qy1 s MET 69 N -1.64 0.52 -0.17 5.44 1.75 -0.40 -5.00 119.30 119.80 1qy1 s MET 69 Ca 0.09 -0.16 -0.01 0.00 -1.25 0.00 0.00 55.69 54.36 1qy1 s MET 69 Cb -0.10 0.23 -0.01 0.00 2.84 0.00 0.00 34.83 37.79 1qy1 s MET 69 CO 0.04 -0.13 -0.11 0.08 -0.65 0.00 0.00 175.02 174.25 1qy1 s VAL 70 N -1.04 3.02 -0.19 10.11 1.01 -1.26 -0.11 120.40 131.95 1qy1 s VAL 70 Ca -0.11 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1qy1 s VAL 70 Cb -0.05 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1qy1 s VAL 70 CO 0.02 0.49 0.02 0.00 0.00 0.00 0.00 175.10 175.63 1qy1 s ALA 71 N 0.95 3.19 -0.01 5.51 0.00 0.05 -4.70 121.76 126.75 1qy1 s ALA 71 Ca -0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1qy1 s ALA 71 Cb -0.15 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1qy1 s ALA 71 CO -0.01 0.05 0.16 -0.51 0.00 0.00 0.00 175.76 175.45 1qy1 s ASP 72 N 0.62 6.19 0.44 0.00 1.01 -0.28 -0.42 116.67 124.23 1qy1 s ASP 72 Ca 0.01 0.30 -0.25 0.00 0.71 0.00 0.00 52.55 53.32 1qy1 s ASP 72 Cb -0.14 -1.91 -0.08 0.00 1.01 0.00 0.00 42.92 41.80 1qy1 s ASP 72 CO 0.02 0.27 1.36 -0.54 0.21 0.00 0.00 175.17 176.49 1qy1 s LYS 73 N -1.85 3.75 0.00 8.23 1.02 -0.82 -0.39 119.74 129.68 1qy1 s LYS 73 Ca 0.26 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.52 1qy1 s LYS 73 Cb -0.12 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1qy1 s LYS 73 CO 0.17 -0.71 0.00 0.25 -0.92 0.00 0.00 175.35 174.14 1qy1 n THR 74 N -0.16 0.00 0.41 2.17 -2.24 -0.58 -4.79 114.28 109.10 1qy1 n THR 74 Ca 0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1qy1 n THR 74 Cb 0.43 -0.91 0.47 0.00 -2.10 0.00 0.00 70.33 68.21 1qy1 n THR 74 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qy1 h GLU 75 N 0.00 0.00 -5.38 -0.78 5.08 -1.96 -3.43 114.58 108.11 1qy1 h GLU 75 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 1qy1 h GLU 75 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 1qy1 h GLU 75 CO 0.00 0.00 -0.48 -1.59 -1.00 0.00 0.00 179.01 175.94 1qy1 s LYS 76 N -3.32 3.98 0.33 2.33 -2.85 -1.26 -5.04 119.74 113.92 1qy1 s LYS 76 Ca 0.06 -0.18 -0.29 0.00 -1.00 0.00 0.00 55.97 54.56 1qy1 s LYS 76 Cb 0.10 -3.35 -0.11 0.00 -2.06 0.00 0.00 37.83 32.40 1qy1 s LYS 76 CO 0.51 0.43 1.54 0.00 0.10 0.00 0.00 175.35 177.94 1qy1 s ALA 77 N -0.03 3.66 0.00 0.59 0.00 -1.26 -1.80 121.76 122.92 1qy1 s ALA 77 Ca 0.10 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1qy1 s ALA 77 Cb -0.11 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1qy1 s ALA 77 CO -0.00 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1qy1 n GLY 78 N 1.34 0.93 3.58 0.00 0.00 -1.23 -4.39 105.19 105.42 1qy1 n GLY 78 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1qy1 n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qy1 s GLU 79 N -0.05 2.57 0.11 1.61 2.12 -0.74 -4.26 118.70 120.05 1qy1 s GLU 79 Ca 0.00 -0.70 0.06 0.00 0.36 0.00 0.00 54.97 54.69 1qy1 s GLU 79 Cb 0.00 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 1qy1 s GLU 79 CO 0.00 0.61 -0.14 0.71 -0.54 0.00 0.00 175.26 175.91 1qy1 s TYR 80 N -0.94 1.33 0.12 5.30 1.51 -0.46 -1.53 117.35 122.68 1qy1 s TYR 80 Ca 0.16 -0.54 0.09 0.00 -1.01 0.00 0.00 57.07 55.76 1qy1 s TYR 80 Cb -0.11 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.99 1qy1 s TYR 80 CO 0.06 0.11 -0.21 -1.54 -1.11 0.00 0.00 175.55 172.86 1qy1 s SER 81 N -2.26 2.64 -0.22 2.29 1.04 0.48 -0.24 113.70 117.43 1qy1 s SER 81 Ca 0.06 -0.72 -0.20 0.00 0.48 0.00 0.00 55.95 55.56 1qy1 s SER 81 Cb -0.06 -0.15 0.06 0.00 0.10 0.00 0.00 66.02 65.97 1qy1 s SER 81 CO 0.03 0.05 0.58 0.54 0.98 0.00 0.00 173.24 175.42 1qy1 s VAL 82 N -1.31 -0.00 -0.19 5.02 0.11 -0.18 -1.13 120.40 122.72 1qy1 s VAL 82 Ca 0.09 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.93 1qy1 s VAL 82 Cb -0.09 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1qy1 s VAL 82 CO 0.05 0.00 0.62 -0.89 -3.33 0.00 0.00 175.10 171.54 1qy1 s THR 83 N 0.33 5.03 -0.30 5.04 2.01 -1.26 -1.31 115.64 125.18 1qy1 s THR 83 Ca -0.00 1.16 -0.12 0.00 0.31 0.00 0.00 61.69 63.04 1qy1 s THR 83 Cb -0.04 -3.93 0.17 0.00 0.01 0.00 0.00 72.50 68.70 1qy1 s THR 83 CO 0.01 0.12 0.90 -0.47 -0.69 0.00 0.00 174.62 174.49 1qy1 s TYR 84 N 1.84 -0.87 -1.47 4.92 5.04 -1.26 -4.95 117.35 120.60 1qy1 s TYR 84 Ca 0.28 1.30 -0.01 0.00 -2.44 0.00 0.00 57.07 56.21 1qy1 s TYR 84 Cb -0.16 0.45 0.01 0.00 0.35 0.00 0.00 41.96 42.60 1qy1 s TYR 84 CO 0.10 -0.45 0.27 -3.47 -1.34 0.00 0.00 175.55 170.67 1qy1 n ASP 85 N 5.19 0.09 0.00 4.32 2.03 -1.26 -4.54 116.55 122.38 1qy1 n ASP 85 Ca -0.08 -1.11 0.00 0.00 0.52 0.00 0.00 54.79 54.12 1qy1 n ASP 85 Cb 0.52 -2.49 0.00 0.00 -0.72 0.00 0.00 41.12 38.43 1qy1 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qy1 n GLY 86 N -2.19 -0.34 3.53 0.27 0.00 -1.26 -4.75 105.19 100.45 1qy1 n GLY 86 Ca -0.31 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.15 1qy1 n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1qy1 s PHE 87 N 0.00 3.13 0.06 1.61 5.36 0.06 -4.51 117.98 123.68 1qy1 s PHE 87 Ca 0.00 -0.21 0.09 0.00 -0.96 0.00 0.00 56.93 55.85 1qy1 s PHE 87 Cb 0.00 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 40.54 1qy1 s PHE 87 CO 0.00 -0.10 -0.26 -0.80 -1.46 0.00 0.00 175.22 172.60 1qy1 s ASN 88 N 0.86 3.21 0.04 6.13 0.01 -0.43 -0.94 114.94 123.83 1qy1 s ASN 88 Ca 0.03 -0.60 0.05 0.00 -0.71 0.00 0.00 52.86 51.62 1qy1 s ASN 88 Cb -0.14 -0.29 -0.02 0.00 0.41 0.00 0.00 41.25 41.20 1qy1 s ASN 88 CO 0.02 0.25 -0.15 0.42 -1.51 0.00 0.00 177.10 176.13 1qy1 s THR 89 N -0.84 1.20 0.13 1.60 -4.23 -0.76 -1.01 115.64 111.74 1qy1 s THR 89 Ca 0.12 -1.05 -0.11 0.00 -1.18 0.00 0.00 61.69 59.48 1qy1 s THR 89 Cb -0.10 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.66 1qy1 s THR 89 CO 0.03 0.02 0.29 0.72 -0.54 0.00 0.00 174.62 175.14 1qy1 s PHE 90 N -0.86 0.16 0.24 3.99 -0.71 0.67 -0.80 117.98 120.67 1qy1 s PHE 90 Ca 0.02 -0.54 0.01 0.00 -1.04 0.00 0.00 56.93 55.38 1qy1 s PHE 90 Cb -0.08 0.03 -0.05 0.00 -1.21 0.00 0.00 43.02 41.71 1qy1 s PHE 90 CO 0.01 -0.67 0.10 0.95 -1.34 0.00 0.00 175.22 174.27 1qy1 s THR 91 N -3.89 0.46 -0.50 -4.49 -4.23 -0.51 -1.35 115.64 101.12 1qy1 s THR 91 Ca 0.10 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.62 1qy1 s THR 91 Cb 0.03 -2.58 0.13 0.00 1.34 0.00 0.00 72.50 71.42 1qy1 s THR 91 CO -0.06 -0.03 0.27 -0.63 -0.54 0.00 0.00 174.62 173.62 1qy1 s ILE 92 N -3.83 2.98 0.50 2.99 1.01 -1.26 -1.22 121.20 122.37 1qy1 s ILE 92 Ca 0.37 -2.83 0.16 0.00 0.00 0.00 0.00 60.65 58.36 1qy1 s ILE 92 Cb 0.08 -3.04 0.25 0.00 0.01 0.00 0.00 42.46 39.75 1qy1 s ILE 92 CO 0.13 -0.77 2.10 -0.65 0.00 0.00 0.00 174.94 175.75 1qy1 h PRO 93 N 7.11 0.00 -2.42 2.79 0.11 -1.86 0.15 132.00 137.88 1qy1 h PRO 93 Ca -0.06 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 1qy1 h PRO 93 Cb 0.96 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.83 1qy1 h PRO 93 CO 0.67 0.06 -0.16 0.21 -0.21 0.00 0.00 178.00 178.57 1qy1 s LYS 94 N -4.90 0.54 -0.02 1.05 2.47 -1.22 -4.28 119.74 113.38 1qy1 s LYS 94 Ca -0.05 0.89 -0.19 0.00 -1.56 0.00 0.00 55.97 55.06 1qy1 s LYS 94 Cb 0.16 0.11 0.04 0.00 -1.46 0.00 0.00 37.83 36.68 1qy1 s LYS 94 CO 0.67 -0.13 0.41 -0.08 0.16 0.00 0.00 175.35 176.38 1qy1 s THR 95 N 1.15 0.04 -0.48 3.43 -1.32 -0.38 -0.54 115.64 117.54 1qy1 s THR 95 Ca -0.07 -0.35 0.13 0.00 -1.21 0.00 0.00 61.69 60.19 1qy1 s THR 95 Cb -0.06 -0.71 0.36 0.00 -1.51 0.00 0.00 72.50 70.57 1qy1 s THR 95 CO -0.11 -0.19 1.28 -0.90 -2.21 0.00 0.00 174.62 172.49 1qy1 n ASP 96 N 1.19 3.15 0.00 8.08 5.75 -1.00 -1.32 116.55 132.41 1qy1 n ASP 96 Ca -0.21 -2.48 0.00 0.00 -0.01 0.00 0.00 54.79 52.09 1qy1 n ASP 96 Cb 0.56 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1qy1 n ASP 96 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1qy1 n TYR 97 N -0.15 0.00 0.38 2.11 4.01 -1.25 -4.39 117.16 117.88 1qy1 n TYR 97 Ca 0.14 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.00 1qy1 n TYR 97 Cb 0.61 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.67 1qy1 n TYR 97 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1qy1 n ASP 98 N 0.54 0.66 0.06 7.72 8.00 -1.26 -4.74 116.55 127.53 1qy1 n ASP 98 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1qy1 n ASP 98 Cb 0.00 0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1qy1 n ASP 98 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qy1 n ASN 99 N -2.24 0.47 -4.30 -2.24 3.02 -1.26 -4.71 115.26 104.00 1qy1 n ASN 99 Ca 0.01 0.19 -0.16 0.00 -0.03 0.00 0.00 54.58 54.59 1qy1 n ASN 99 Cb 0.48 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.50 1qy1 n ASN 99 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1qy1 s PHE 100 N -2.00 1.48 -0.06 3.10 -0.12 -1.26 -1.14 117.98 117.98 1qy1 s PHE 100 Ca 0.00 -0.79 -0.02 0.00 -0.05 0.00 0.00 56.93 56.07 1qy1 s PHE 100 Cb 0.00 -0.79 0.04 0.00 -0.63 0.00 0.00 43.02 41.64 1qy1 s PHE 100 CO 0.00 0.09 0.11 -1.17 -0.05 0.00 0.00 175.22 174.20 1qy1 s LEU 101 N -3.26 0.36 -0.17 -1.99 0.20 -0.34 -2.37 118.68 111.11 1qy1 s LEU 101 Ca 0.22 0.21 -0.02 0.00 0.69 0.00 0.00 54.13 55.23 1qy1 s LEU 101 Cb 0.03 0.13 -0.02 0.00 -0.43 0.00 0.00 46.19 45.91 1qy1 s LEU 101 CO 0.05 -0.20 -0.08 -0.04 -0.29 0.00 0.00 176.35 175.79 1qy1 s MET 102 N 1.80 3.46 0.10 1.98 -1.94 0.29 -0.85 119.30 124.14 1qy1 s MET 102 Ca -0.01 -0.62 0.10 0.00 -1.71 0.00 0.00 55.69 53.44 1qy1 s MET 102 Cb -0.12 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 33.85 1qy1 s MET 102 CO -0.05 0.09 -0.23 0.00 -0.01 0.00 0.00 175.02 174.83 1qy1 s ALA 103 N 0.71 2.50 -0.09 3.03 0.00 -0.46 -2.80 121.76 124.65 1qy1 s ALA 103 Ca -0.04 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.58 1qy1 s ALA 103 Cb -0.15 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1qy1 s ALA 103 CO 0.02 0.56 -0.16 -1.58 0.00 0.00 0.00 175.76 174.60 1qy1 s HIS 104 N -1.03 1.91 0.03 0.00 5.65 -0.36 -1.27 115.29 120.23 1qy1 s HIS 104 Ca 0.15 -0.81 0.06 0.00 0.25 0.00 0.00 55.06 54.70 1qy1 s HIS 104 Cb -0.10 -1.36 -0.02 0.00 -1.18 0.00 0.00 32.58 29.92 1qy1 s HIS 104 CO 0.07 -0.39 -0.16 -1.17 -0.65 0.00 0.00 174.74 172.43 1qy1 s LEU 105 N 0.74 2.15 -0.15 8.88 0.20 0.92 -1.43 118.68 129.99 1qy1 s LEU 105 Ca -0.12 -0.45 0.01 0.00 0.69 0.00 0.00 54.13 54.26 1qy1 s LEU 105 Cb -0.16 -0.73 0.00 0.00 -0.43 0.00 0.00 46.19 44.87 1qy1 s LEU 105 CO 0.03 0.09 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.37 1qy1 s ILE 106 N -0.77 2.45 0.03 6.68 -1.09 0.02 -0.82 121.20 127.70 1qy1 s ILE 106 Ca 0.04 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1qy1 s ILE 106 Cb -0.08 -2.02 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 1qy1 s ILE 106 CO 0.01 0.53 0.02 0.21 -1.23 0.00 0.00 174.94 174.48 1qy1 s ASN 107 N 0.81 5.24 -0.06 3.58 3.84 -0.63 -1.82 114.94 125.90 1qy1 s ASN 107 Ca -0.06 -0.02 -0.01 0.00 0.21 0.00 0.00 52.86 52.98 1qy1 s ASN 107 Cb -0.15 -1.37 0.03 0.00 -0.55 0.00 0.00 41.25 39.20 1qy1 s ASN 107 CO -0.01 0.24 -0.01 -1.61 -2.79 0.00 0.00 177.10 172.93 1qy1 s GLU 108 N -1.86 0.61 -0.11 0.43 2.02 -0.12 -2.13 118.70 117.55 1qy1 s GLU 108 Ca 0.23 0.06 -0.08 0.00 0.02 0.00 0.00 54.97 55.20 1qy1 s GLU 108 Cb -0.12 -0.87 0.04 0.00 0.10 0.00 0.00 34.13 33.28 1qy1 s GLU 108 CO 0.14 -0.23 0.28 0.21 0.02 0.00 0.00 175.26 175.68 1qy1 s LYS 109 N 1.61 0.28 -1.39 1.61 2.20 -1.11 -0.76 119.74 122.18 1qy1 s LYS 109 Ca -0.01 0.48 -0.09 0.00 -0.36 0.00 0.00 55.97 55.99 1qy1 s LYS 109 Cb -0.13 0.03 0.06 0.00 -1.51 0.00 0.00 37.83 36.28 1qy1 s LYS 109 CO -0.04 -0.10 0.60 -0.25 -0.36 0.00 0.00 175.35 175.21 1qy1 n ASP 110 N 3.56 -4.43 0.00 1.43 10.43 -1.26 -0.59 116.55 125.69 1qy1 n ASP 110 Ca -0.19 -0.44 0.00 0.00 2.57 0.00 0.00 54.79 56.73 1qy1 n ASP 110 Cb 0.56 -3.62 0.00 0.00 1.84 0.00 0.00 41.12 39.90 1qy1 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1qy1 n GLY 111 N -1.34 0.84 3.10 0.44 0.00 -1.26 -5.02 105.19 101.95 1qy1 n GLY 111 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 1qy1 n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qy1 n GLU 112 N -2.20 0.76 -3.63 1.61 1.02 0.24 -5.15 120.64 113.28 1qy1 n GLU 112 Ca 0.00 -2.64 -0.10 0.00 -0.02 0.00 0.00 57.16 54.40 1qy1 n GLU 112 Cb 0.01 0.05 -0.04 0.00 -0.02 0.00 0.00 31.44 31.44 1qy1 n GLU 112 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1qy1 s THR 113 N -2.04 0.03 0.17 2.62 -1.32 -1.26 -2.73 115.64 111.10 1qy1 s THR 113 Ca 0.37 -0.54 -0.22 0.00 -1.21 0.00 0.00 61.69 60.10 1qy1 s THR 113 Cb -0.03 -1.33 0.06 0.00 -1.51 0.00 0.00 72.50 69.69 1qy1 s THR 113 CO 0.24 -0.15 0.58 0.72 -2.21 0.00 0.00 174.62 173.80 1qy1 s PHE 114 N -3.82 -0.44 -0.11 9.09 -0.12 -0.90 -4.99 117.98 116.69 1qy1 s PHE 114 Ca 0.05 0.18 -0.05 0.00 -0.05 0.00 0.00 56.93 57.07 1qy1 s PHE 114 Cb -0.00 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1qy1 s PHE 114 CO -0.08 -0.87 0.08 -0.65 -0.05 0.00 0.00 175.22 173.65 1qy1 s GLN 115 N -3.78 3.27 -0.03 1.99 -0.21 -1.26 -1.61 119.66 118.03 1qy1 s GLN 115 Ca 0.03 -0.25 0.05 0.00 0.02 0.00 0.00 55.36 55.20 1qy1 s GLN 115 Cb -0.01 -3.03 -0.01 0.00 1.00 0.00 0.00 33.01 30.96 1qy1 s GLN 115 CO -0.10 0.74 -0.16 -1.17 -2.12 0.00 0.00 175.29 172.47 1qy1 s LEU 116 N -0.93 1.97 0.02 2.90 2.96 0.00 -2.55 118.68 123.05 1qy1 s LEU 116 Ca 0.14 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1qy1 s LEU 116 Cb -0.12 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 1qy1 s LEU 116 CO 0.03 0.18 -0.18 -0.04 -1.32 0.00 0.00 176.35 175.02 1qy1 s MET 117 N -0.17 1.32 0.01 1.98 -1.94 0.24 -0.05 119.30 120.68 1qy1 s MET 117 Ca 0.02 -0.77 0.01 0.00 -1.71 0.00 0.00 55.69 53.23 1qy1 s MET 117 Cb -0.09 -1.35 -0.01 0.00 2.01 0.00 0.00 34.83 35.39 1qy1 s MET 117 CO 0.01 0.35 -0.05 0.20 -0.01 0.00 0.00 175.02 175.52 1qy1 s GLY 118 N -0.84 0.26 -0.19 -0.03 0.00 -0.40 -0.46 107.32 105.66 1qy1 s GLY 118 Ca 0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 44.72 44.46 1qy1 s GLY 118 CO 0.01 -0.31 -0.15 -2.27 0.00 0.00 0.00 173.10 170.37 1qy1 s LEU 119 N -0.49 2.36 0.08 0.66 2.96 0.02 -1.35 118.68 122.92 1qy1 s LEU 119 Ca -0.02 -0.57 0.10 0.00 -0.22 0.00 0.00 54.13 53.42 1qy1 s LEU 119 Cb -0.04 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 1qy1 s LEU 119 CO -0.00 -0.00 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.46 1qy1 s TYR 120 N 1.32 2.34 0.15 5.38 2.02 -0.03 -0.59 117.35 127.94 1qy1 s TYR 120 Ca 0.05 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.44 1qy1 s TYR 120 Cb -0.13 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.04 1qy1 s TYR 120 CO -0.10 0.21 -0.19 0.20 -1.57 0.00 0.00 175.55 174.11 1qy1 s GLY 121 N -1.56 1.34 0.32 0.71 0.00 -0.09 -1.20 107.32 106.83 1qy1 s GLY 121 Ca 0.13 -1.43 0.05 0.00 0.00 0.00 0.00 44.72 43.47 1qy1 s GLY 121 CO 0.04 -1.47 1.80 3.21 0.00 0.00 0.00 173.10 176.69 1qy1 h ARG 122 N 3.45 0.44 -6.48 2.90 2.47 -1.38 0.88 114.38 116.66 1qy1 h ARG 122 Ca -0.43 -0.13 -0.45 0.00 -1.26 0.00 0.00 59.98 57.71 1qy1 h ARG 122 Cb 1.20 -0.04 0.02 0.00 -1.65 0.00 0.00 29.97 29.49 1qy1 h ARG 122 CO 0.48 0.59 -0.21 -1.21 0.56 0.00 0.00 179.97 180.18 1qy1 s GLU 123 N -4.67 2.62 0.00 0.04 2.02 -1.26 -4.62 118.70 112.83 1qy1 s GLU 123 Ca -0.07 -1.41 0.16 0.00 0.02 0.00 0.00 54.97 53.67 1qy1 s GLU 123 Cb 0.15 -2.68 0.93 0.00 0.10 0.00 0.00 34.13 32.63 1qy1 s GLU 123 CO 0.77 -0.47 1.37 -2.30 0.02 0.00 0.00 175.26 174.65 1qy1 n PRO 124 N -1.96 0.47 -4.04 0.39 -0.02 -1.26 -4.54 135.00 124.04 1qy1 n PRO 124 Ca 0.10 0.01 -0.11 0.00 -2.02 0.00 0.00 63.50 61.48 1qy1 n PRO 124 Cb 0.60 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 1qy1 n PRO 124 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1qy1 s ASP 125 N -2.05 0.23 0.16 2.55 -1.08 -1.26 -4.80 116.67 110.42 1qy1 s ASP 125 Ca 0.23 -1.15 0.00 0.00 -0.52 0.00 0.00 52.55 51.11 1qy1 s ASP 125 Cb 0.11 0.60 -0.04 0.00 -1.46 0.00 0.00 42.92 42.12 1qy1 s ASP 125 CO 0.19 -1.18 0.04 -0.76 0.52 0.00 0.00 175.17 173.99 1qy1 s LEU 126 N -3.10 1.84 0.74 -1.34 1.43 -1.26 -4.81 118.68 112.19 1qy1 s LEU 126 Ca 0.26 -1.23 -0.13 0.00 -1.03 0.00 0.00 54.13 52.01 1qy1 s LEU 126 Cb 0.00 0.14 0.05 0.00 0.03 0.00 0.00 46.19 46.41 1qy1 s LEU 126 CO 0.13 -0.68 1.12 -0.94 0.23 0.00 0.00 176.35 176.21 1qy1 s SER 127 N -3.13 4.45 0.39 2.29 1.04 -1.26 -4.87 113.70 112.61 1qy1 s SER 127 Ca 0.26 2.03 0.14 0.00 0.48 0.00 0.00 55.95 58.86 1qy1 s SER 127 Cb 0.07 -2.55 0.81 0.00 0.10 0.00 0.00 66.02 64.45 1qy1 s SER 127 CO 0.05 -2.08 1.87 0.77 0.98 0.00 0.00 173.24 174.82 1qy1 h SER 128 N -0.68 0.00 -0.60 7.02 4.64 -2.01 -2.02 113.55 119.90 1qy1 h SER 128 Ca -0.45 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 1qy1 h SER 128 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1qy1 h SER 128 CO 0.51 0.32 0.15 0.44 -0.87 0.00 0.00 176.83 177.38 1qy1 h ASP 129 N 0.00 0.90 -0.09 4.97 3.32 -2.00 -0.72 116.42 122.81 1qy1 h ASP 129 Ca -0.00 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.71 1qy1 h ASP 129 Cb 0.58 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1qy1 h ASP 129 CO 0.04 0.90 -0.28 0.40 -1.72 0.00 0.00 179.24 178.58 1qy1 h ILE 130 N 0.87 1.28 -0.42 0.35 1.08 -1.84 -1.39 117.51 117.44 1qy1 h ILE 130 Ca 0.19 -1.35 -0.08 0.00 -0.39 0.00 0.00 64.86 63.23 1qy1 h ILE 130 Cb 0.34 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 1qy1 h ILE 130 CO 0.00 0.43 -0.05 0.11 -0.69 0.00 0.00 178.15 177.95 1qy1 h LYS 131 N 0.48 0.70 -0.48 2.37 1.57 -1.06 -1.47 116.57 118.69 1qy1 h LYS 131 Ca 0.06 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 1qy1 h LYS 131 Cb 0.73 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1qy1 h LYS 131 CO 0.06 0.75 -0.23 1.49 -0.57 0.00 0.00 179.45 180.95 1qy1 h GLU 132 N 0.65 0.99 -0.71 3.15 4.57 -0.77 -1.84 114.58 120.62 1qy1 h GLU 132 Ca 0.12 -0.43 0.01 0.00 -1.18 0.00 0.00 59.36 57.88 1qy1 h GLU 132 Cb 0.48 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 1qy1 h GLU 132 CO 0.02 1.10 0.47 0.00 -1.18 0.00 0.00 179.01 179.43 1qy1 h ARG 133 N 0.85 0.93 -0.45 1.92 3.08 -0.81 -0.90 114.38 118.99 1qy1 h ARG 133 Ca 0.11 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 1qy1 h ARG 133 Cb 0.81 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1qy1 h ARG 133 CO 0.07 0.61 -0.16 0.35 -1.07 0.00 0.00 179.97 179.77 1qy1 h PHE 134 N 0.95 1.02 -0.55 3.04 3.57 -1.05 -1.34 116.94 122.58 1qy1 h PHE 134 Ca 0.26 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1qy1 h PHE 134 Cb -0.09 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 1qy1 h PHE 134 CO -0.00 1.01 0.26 0.00 -2.23 0.00 0.00 178.31 177.35 1qy1 h ALA 135 N 0.85 1.43 -0.54 2.41 0.00 -0.55 -0.28 119.26 122.59 1qy1 h ALA 135 Ca 0.11 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1qy1 h ALA 135 Cb 0.72 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1qy1 h ALA 135 CO 0.05 0.45 -0.06 1.96 0.00 0.00 0.00 179.25 181.66 1qy1 h GLN 136 N 0.77 0.96 -0.50 0.00 1.08 -0.83 -1.32 115.11 115.27 1qy1 h GLN 136 Ca 0.19 -0.32 -0.11 0.00 -1.45 0.00 0.00 58.65 56.96 1qy1 h GLN 136 Cb 0.09 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1qy1 h GLN 136 CO -0.03 0.99 -0.12 1.25 -0.95 0.00 0.00 178.83 179.97 1qy1 h LEU 137 N 0.87 0.94 -0.64 1.46 5.85 -0.46 -2.19 115.31 121.14 1qy1 h LEU 137 Ca 0.15 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1qy1 h LEU 137 Cb 0.59 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1qy1 h LEU 137 CO 0.04 1.06 0.36 0.00 -0.34 0.00 0.00 178.44 179.56 1qy1 h GLU 139 N 0.88 0.92 0.00 0.00 4.81 -0.93 -0.03 114.58 120.22 1qy1 h GLU 139 Ca 0.23 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1qy1 h GLU 139 Cb 0.04 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1qy1 h GLU 139 CO -0.04 0.61 0.00 0.39 -0.73 0.00 0.00 179.01 179.24 1qy1 n GLU 140 N -4.47 0.15 -0.28 1.92 1.02 -0.85 -1.66 120.64 116.48 1qy1 n GLU 140 Ca 0.11 0.42 0.07 0.00 -0.02 0.00 0.00 57.16 57.74 1qy1 n GLU 140 Cb 0.16 -1.81 0.20 0.00 -0.02 0.00 0.00 31.44 29.97 1qy1 n GLU 140 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1qy1 n HIS 141 N -2.10 0.67 -1.75 -0.32 8.25 -0.13 -4.97 115.22 114.87 1qy1 n HIS 141 Ca 0.02 -0.58 -0.04 0.00 -0.26 0.00 0.00 57.72 56.86 1qy1 n HIS 141 Cb 0.19 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 1qy1 n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qy1 n GLY 142 N 0.46 0.37 3.38 -1.41 0.00 -0.66 -5.02 105.19 102.31 1qy1 n GLY 142 Ca 0.15 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1qy1 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qy1 s ILE 143 N -2.18 3.87 0.58 -0.61 1.01 -0.57 -4.95 121.20 118.36 1qy1 s ILE 143 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.12 1qy1 s ILE 143 Cb 0.00 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1qy1 s ILE 143 CO 0.00 0.36 1.14 -0.76 0.00 0.00 0.00 174.94 175.67 1qy1 s LEU 144 N 1.55 3.63 0.53 2.97 1.43 -1.26 -3.67 118.68 123.86 1qy1 s LEU 144 Ca 0.06 2.16 0.24 0.00 -1.03 0.00 0.00 54.13 55.56 1qy1 s LEU 144 Cb -0.15 -4.58 1.47 0.00 0.03 0.00 0.00 46.19 42.96 1qy1 s LEU 144 CO 0.01 -1.40 2.13 0.03 0.23 0.00 0.00 176.35 177.35 1qy1 h ARG 145 N 0.81 0.00 0.00 1.70 3.08 -1.95 -0.34 114.38 117.69 1qy1 h ARG 145 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1qy1 h ARG 145 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1qy1 h ARG 145 CO 0.56 0.07 0.00 -0.85 -1.07 0.00 0.00 179.97 178.68 1qy1 n GLU 146 N -3.98 0.03 -0.45 0.04 0.28 -1.26 -0.75 120.64 114.54 1qy1 n GLU 146 Ca -0.03 0.30 0.08 0.00 -0.16 0.00 0.00 57.16 57.36 1qy1 n GLU 146 Cb 0.16 -1.55 0.28 0.00 1.43 0.00 0.00 31.44 31.76 1qy1 n GLU 146 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1qy1 n ASN 147 N -1.60 4.06 -4.48 -1.84 5.03 -0.14 -4.90 115.26 111.39 1qy1 n ASN 147 Ca 0.03 -2.41 -0.35 0.00 0.87 0.00 0.00 54.58 52.72 1qy1 n ASN 147 Cb 0.16 -0.47 -0.12 0.00 -1.02 0.00 0.00 39.78 38.32 1qy1 n ASN 147 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1qy1 s ILE 148 N -1.76 4.12 -0.21 2.41 1.01 0.07 -2.15 121.20 124.70 1qy1 s ILE 148 Ca 0.42 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.82 1qy1 s ILE 148 Cb 0.27 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.90 1qy1 s ILE 148 CO 0.20 0.43 -0.16 -0.63 0.00 0.00 0.00 174.94 174.78 1qy1 s ILE 149 N 0.92 2.21 -0.20 2.92 1.01 0.11 -4.99 121.20 123.19 1qy1 s ILE 149 Ca 0.02 -1.11 -0.29 0.00 0.00 0.00 0.00 60.65 59.27 1qy1 s ILE 149 Cb -0.14 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1qy1 s ILE 149 CO 0.02 0.36 1.01 -0.62 0.00 0.00 0.00 174.94 175.71 1qy1 s ASP 150 N 1.25 7.12 -0.08 3.58 -1.08 -1.26 -1.42 116.67 124.78 1qy1 s ASP 150 Ca 0.01 1.40 0.13 0.00 -0.52 0.00 0.00 52.55 53.56 1qy1 s ASP 150 Cb -0.15 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.14 1qy1 s ASP 150 CO -0.10 -0.59 1.30 0.18 0.52 0.00 0.00 175.17 176.47 1qy1 n LEU 151 N 5.92 3.21 0.24 -1.34 4.77 -0.00 -4.62 117.00 125.17 1qy1 n LEU 151 Ca 0.11 -2.48 0.16 0.00 -0.03 0.00 0.00 56.01 53.77 1qy1 n LEU 151 Cb 0.47 -0.35 0.68 0.00 -2.33 0.00 0.00 43.42 41.89 1qy1 n LEU 151 CO 0.52 0.69 0.97 0.77 -1.33 0.00 0.00 177.39 179.00 1qy1 h SER 152 N 1.65 0.00 -0.42 -1.43 4.64 -1.75 -0.69 113.55 115.54 1qy1 h SER 152 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qy1 h SER 152 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1qy1 h SER 152 CO 0.09 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.85 1qy1 n ASN 153 N -2.84 2.75 -2.25 4.97 2.85 -1.26 -4.32 115.26 115.16 1qy1 n ASN 153 Ca 0.01 -2.14 -0.02 0.00 -0.11 0.00 0.00 54.58 52.31 1qy1 n ASN 153 Cb 0.26 -0.38 0.06 0.00 1.24 0.00 0.00 39.78 40.96 1qy1 n ASN 153 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qy1 n ALA 154 N 0.69 3.00 -0.15 5.20 0.00 -0.30 -4.95 120.51 124.00 1qy1 n ALA 154 Ca 0.15 -1.34 0.09 0.00 0.00 0.00 0.00 53.44 52.35 1qy1 n ALA 154 Cb 0.49 -0.72 0.23 0.00 0.00 0.00 0.00 19.45 19.45 1qy1 n ALA 154 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1qy1 n ASN 155 N -0.90 3.37 -4.48 0.00 2.04 -1.02 -4.94 115.26 109.33 1qy1 n ASN 155 Ca -0.14 -1.97 -0.31 0.00 -0.44 0.00 0.00 54.58 51.72 1qy1 n ASN 155 Cb 0.85 -0.33 -0.12 0.00 -2.53 0.00 0.00 39.78 37.65 1qy1 n ASN 155 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1qy1 s ARG 156 N -1.07 2.21 0.00 -3.83 0.52 -1.26 -4.93 118.95 110.59 1qy1 s ARG 156 Ca 0.35 -0.90 0.31 0.00 -0.52 0.00 0.00 55.73 54.97 1qy1 s ARG 156 Cb 0.19 -2.26 1.68 0.00 0.52 0.00 0.00 34.95 35.07 1qy1 s ARG 156 CO 0.25 0.56 2.10 0.00 0.02 0.00 0.00 175.30 178.23