#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqo n ASN 2 N 0.00 0.44 0.12 7.83 6.94 -1.26 -4.76 115.26 124.57 2jqo n ASN 2 Ca 0.00 -2.20 -0.02 0.00 -0.02 0.00 0.00 54.58 52.33 2jqo n ASN 2 Cb 0.00 -0.24 0.08 0.00 -2.36 0.00 0.00 39.78 37.25 2jqo n ASN 2 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 2jqo h LYS 3 N 0.00 0.00 -3.29 -3.83 1.57 -2.08 -3.47 116.57 105.47 2jqo h LYS 3 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 2jqo h LYS 3 Cb 1.33 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.67 2jqo h LYS 3 CO 0.00 0.72 -0.46 -1.71 -0.57 0.00 0.00 179.45 177.42 2jqo n ASN 4 N -3.59 -5.10 0.26 0.86 5.15 -1.26 -4.88 115.26 106.70 2jqo n ASN 4 Ca -0.00 -0.17 0.13 0.00 -0.60 0.00 0.00 54.58 53.93 2jqo n ASN 4 Cb 0.72 -4.01 0.71 0.00 -0.53 0.00 0.00 39.78 36.67 2jqo n ASN 4 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2jqo h GLU 5 N -0.82 0.00 -0.43 1.20 4.81 -1.99 -2.61 114.58 114.73 2jqo h GLU 5 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2jqo h GLU 5 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2jqo h GLU 5 CO 0.45 0.12 0.00 1.04 -0.73 0.00 0.00 179.01 179.90 2jqo n GLN 6 N -3.57 0.90 0.11 1.92 6.02 -1.26 -3.10 117.38 118.40 2jqo n GLN 6 Ca -0.02 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.10 2jqo n GLN 6 Cb 0.26 -1.22 0.42 0.00 1.02 0.00 0.00 30.24 30.72 2jqo n GLN 6 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jqo n ASN 7 N -0.24 0.81 0.29 1.08 5.15 -0.99 -3.58 115.26 117.79 2jqo n ASN 7 Ca 0.00 0.59 0.16 0.00 -0.60 0.00 0.00 54.58 54.73 2jqo n ASN 7 Cb 0.11 -0.81 0.90 0.00 -0.53 0.00 0.00 39.78 39.46 2jqo n ASN 7 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2jqo h GLY 8 N 4.14 0.00 0.81 8.20 0.00 -1.75 0.28 103.07 114.75 2jqo h GLY 8 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2jqo h GLY 8 CO 0.00 0.00 0.02 -0.55 0.00 0.00 0.00 176.54 176.01 2jqo h ASP 9 N 0.00 0.22 0.09 0.19 5.19 -1.87 -3.32 116.42 116.92 2jqo h ASP 9 Ca -0.00 -0.26 -0.18 0.00 -0.62 0.00 0.00 57.03 55.96 2jqo h ASP 9 Cb 0.15 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 39.61 2jqo h ASP 9 CO 0.01 0.43 -0.88 -0.08 -3.12 0.00 0.00 179.24 175.59 2jqo h GLU 10 N 0.00 0.20 -5.00 3.56 4.81 -1.66 -3.42 114.58 113.08 2jqo h GLU 10 Ca 0.04 -0.34 -0.68 0.00 -0.13 0.00 0.00 59.36 58.25 2jqo h GLU 10 Cb 0.30 0.13 -0.18 0.00 0.63 0.00 0.00 28.75 29.63 2jqo h GLU 10 CO 0.00 1.16 0.52 0.99 -0.73 0.00 0.00 179.01 180.96 2jqo s THR 11 N -2.40 4.68 -0.46 0.32 2.01 0.95 -4.99 115.64 115.75 2jqo s THR 11 Ca -0.18 -1.12 -0.28 0.00 0.31 0.00 0.00 61.69 60.43 2jqo s THR 11 Cb 0.02 -4.66 -0.01 0.00 0.01 0.00 0.00 72.50 67.86 2jqo s THR 11 CO 0.76 -1.37 1.65 -0.75 -0.69 0.00 0.00 174.62 174.23 2jqo s LYS 12 N 2.96 3.21 0.48 4.92 2.20 -1.26 -4.39 119.74 127.87 2jqo s LYS 12 Ca 0.23 0.94 -0.07 0.00 -0.36 0.00 0.00 55.97 56.71 2jqo s LYS 12 Cb -0.14 -4.19 -0.04 0.00 -1.51 0.00 0.00 37.83 31.95 2jqo s LYS 12 CO 0.00 -2.01 0.81 -1.64 -0.36 0.00 0.00 175.35 172.15 2jqo s MET 13 N 5.80 3.60 -0.13 4.03 -1.94 -1.26 -5.04 119.30 124.36 2jqo s MET 13 Ca 0.67 0.32 -0.26 0.00 -1.71 0.00 0.00 55.69 54.71 2jqo s MET 13 Cb -0.16 -2.35 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 2jqo s MET 13 CO 0.29 -0.21 0.85 -0.65 -0.01 0.00 0.00 175.02 175.28 2jqo s GLN 14 N -4.60 4.36 -0.15 2.03 -0.21 -0.85 -4.87 119.66 115.37 2jqo s GLN 14 Ca 0.49 1.08 -0.25 0.00 0.02 0.00 0.00 55.36 56.70 2jqo s GLN 14 Cb -0.10 -3.54 -0.02 0.00 1.00 0.00 0.00 33.01 30.35 2jqo s GLN 14 CO 0.43 -0.24 0.79 -1.12 -2.12 0.00 0.00 175.29 173.03 2jqo s SER 15 N 1.08 6.93 -0.23 5.90 0.01 -1.26 -2.44 113.70 123.70 2jqo s SER 15 Ca 0.41 1.14 0.02 0.00 1.31 0.00 0.00 55.95 58.83 2jqo s SER 15 Cb -0.17 -2.44 0.05 0.00 0.21 0.00 0.00 66.02 63.67 2jqo s SER 15 CO 0.15 -0.34 -0.11 -0.22 0.41 0.00 0.00 173.24 173.13 2jqo s LEU 16 N 1.89 2.80 -0.34 2.44 1.98 0.71 -4.95 118.68 123.20 2jqo s LEU 16 Ca 0.37 -1.11 -0.18 0.00 -2.89 0.00 0.00 54.13 50.32 2jqo s LEU 16 Cb -0.17 -1.40 -0.00 0.00 0.66 0.00 0.00 46.19 45.28 2jqo s LEU 16 CO 0.13 -0.15 0.52 -0.69 -1.89 0.00 0.00 176.35 174.27 2jqo s VAL 17 N 1.25 5.01 0.08 1.68 1.01 -1.26 -0.31 120.40 127.86 2jqo s VAL 17 Ca -0.04 0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 2jqo s VAL 17 Cb -0.18 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2jqo s VAL 17 CO -0.07 -0.20 0.11 0.61 0.00 0.00 0.00 175.10 175.54 2jqo n GLY 18 N 4.76 2.92 3.27 4.51 0.00 -0.11 -4.70 105.19 115.84 2jqo n GLY 18 Ca -0.04 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 2jqo n GLY 18 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jqo s TYR 19 N -4.57 2.38 -0.86 1.61 2.02 -1.07 -1.30 117.35 115.56 2jqo s TYR 19 Ca 0.06 -0.67 -0.22 0.00 -0.37 0.00 0.00 57.07 55.88 2jqo s TYR 19 Cb -0.00 -1.56 0.08 0.00 -0.40 0.00 0.00 41.96 40.08 2jqo s TYR 19 CO 0.04 -0.19 1.18 0.08 -1.57 0.00 0.00 175.55 175.10 2jqo s VAL 20 N -0.22 4.30 0.03 0.71 1.01 0.14 -1.07 120.40 125.30 2jqo s VAL 20 Ca -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 2jqo s VAL 20 Cb -0.13 -4.84 -0.27 0.00 0.00 0.00 0.00 36.38 31.13 2jqo s VAL 20 CO 0.03 -1.65 0.98 -0.37 0.00 0.00 0.00 175.10 174.09 2jqo h VAL 21 N 6.14 1.30 -3.41 2.92 -1.51 -1.66 0.89 116.25 120.93 2jqo h VAL 21 Ca -0.00 -2.93 -0.43 0.00 -1.23 0.00 0.00 66.70 62.11 2jqo h VAL 21 Cb 1.04 2.82 -0.35 0.00 -2.13 0.00 0.00 31.29 32.67 2jqo h VAL 21 CO 1.23 0.84 -0.78 -0.76 -1.23 0.00 0.00 177.57 176.87 2jqo s LEU 22 N -7.00 1.25 -0.17 4.19 1.43 -1.08 -4.29 118.68 113.01 2jqo s LEU 22 Ca -0.06 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2jqo s LEU 22 Cb 0.07 -0.52 -0.02 0.00 0.03 0.00 0.00 46.19 45.75 2jqo s LEU 22 CO 0.86 -0.07 -0.07 -0.75 0.23 0.00 0.00 176.35 176.55 2jqo s LYS 23 N 1.09 3.46 0.27 1.70 2.20 -1.26 -0.51 119.74 126.69 2jqo s LYS 23 Ca -0.08 -0.62 0.05 0.00 -0.36 0.00 0.00 55.97 54.96 2jqo s LYS 23 Cb -0.14 -2.85 -0.06 0.00 -1.51 0.00 0.00 37.83 33.27 2jqo s LYS 23 CO -0.01 0.07 -0.01 0.34 -0.36 0.00 0.00 175.35 175.38 2jqo s ASP 24 N 0.77 2.34 -0.41 1.43 2.15 0.11 -5.02 116.67 118.04 2jqo s ASP 24 Ca -0.03 -1.25 -0.28 0.00 0.43 0.00 0.00 52.55 51.43 2jqo s ASP 24 Cb -0.15 -0.09 -0.02 0.00 -0.30 0.00 0.00 42.92 42.36 2jqo s ASP 24 CO 0.02 -0.47 1.87 0.20 -0.17 0.00 0.00 175.17 176.61 2jqo s ASN 25 N -3.41 5.62 0.00 -0.34 0.01 -1.26 -1.63 114.94 113.93 2jqo s ASN 25 Ca 0.31 1.04 0.00 0.00 -0.71 0.00 0.00 52.86 53.50 2jqo s ASN 25 Cb 0.06 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.19 2jqo s ASN 25 CO 0.12 -1.97 0.00 -0.62 -1.51 0.00 0.00 177.10 173.11 2jqo n GLU 26 N 8.67 -0.07 -3.94 -0.60 1.02 -1.26 -5.00 120.64 119.46 2jqo n GLU 26 Ca 0.23 0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 57.11 2jqo n GLU 26 Cb 0.49 -2.91 -0.17 0.00 -0.02 0.00 0.00 31.44 28.83 2jqo n GLU 26 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jqo s ARG 27 N -0.09 1.77 -0.35 3.49 3.00 -0.65 -0.20 118.95 125.92 2jqo s ARG 27 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 55.73 55.30 2jqo s ARG 27 Cb 0.00 -1.79 0.06 0.00 0.00 0.00 0.00 34.95 33.21 2jqo s ARG 27 CO 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 175.30 175.16 2jqo s ALA 28 N 1.63 3.06 -0.59 2.13 0.00 0.53 0.10 121.76 128.62 2jqo s ALA 28 Ca 0.05 -1.91 -0.24 0.00 0.00 0.00 0.00 51.96 49.86 2jqo s ALA 28 Cb -0.13 -2.30 0.04 0.00 0.00 0.00 0.00 23.12 20.74 2jqo s ALA 28 CO -0.09 -1.43 0.99 0.42 0.00 0.00 0.00 175.76 175.65 2jqo s ILE 29 N 1.35 4.30 0.13 0.00 1.01 0.33 -0.60 121.20 127.72 2jqo s ILE 29 Ca -0.00 0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.93 2jqo s ILE 29 Cb -0.20 -4.61 -0.04 0.00 0.01 0.00 0.00 42.46 37.62 2jqo s ILE 29 CO 0.01 -1.25 -0.05 -0.76 0.00 0.00 0.00 174.94 172.90 2jqo s LEU 30 N 4.17 3.21 -0.24 2.97 1.43 0.38 -1.86 118.68 128.74 2jqo s LEU 30 Ca 0.30 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 2jqo s LEU 30 Cb -0.13 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2jqo s LEU 30 CO 0.18 0.14 0.28 -0.63 0.23 0.00 0.00 176.35 176.55 2jqo s ILE 31 N -1.43 5.27 -0.96 -0.59 1.01 -0.24 -0.19 121.20 124.07 2jqo s ILE 31 Ca 0.24 0.42 0.27 0.00 0.00 0.00 0.00 60.65 61.58 2jqo s ILE 31 Cb -0.10 -3.61 0.23 0.00 0.01 0.00 0.00 42.46 38.99 2jqo s ILE 31 CO 0.16 0.27 1.85 0.35 0.00 0.00 0.00 174.94 177.58 2jqo n THR 32 N 4.53 0.20 -2.79 2.92 -2.24 -0.09 -2.59 114.28 114.22 2jqo n THR 32 Ca -0.12 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.41 2jqo n THR 32 Cb 0.51 -0.58 0.01 0.00 -2.10 0.00 0.00 70.33 68.17 2jqo n THR 32 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jqo s ASP 33 N -3.18 6.02 0.00 3.42 -1.08 -1.26 -4.82 116.67 115.77 2jqo s ASP 33 Ca 0.13 0.65 0.22 0.00 -0.52 0.00 0.00 52.55 53.03 2jqo s ASP 33 Cb 0.17 -1.93 0.61 0.00 -1.46 0.00 0.00 42.92 40.31 2jqo s ASP 33 CO 0.50 -0.66 1.51 0.35 0.52 0.00 0.00 175.17 177.39 2jqo n THR 34 N -2.21 0.96 -2.58 1.71 -2.24 -1.26 -4.53 114.28 104.13 2jqo n THR 34 Ca 0.01 -0.98 -0.42 0.00 -2.27 0.00 0.00 64.05 60.39 2jqo n THR 34 Cb 0.56 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 2jqo n THR 34 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2jqo s LYS 35 N -1.04 4.54 -0.19 -0.78 1.02 -1.26 -5.02 119.74 117.02 2jqo s LYS 35 Ca 0.47 1.59 -0.24 0.00 0.02 0.00 0.00 55.97 57.81 2jqo s LYS 35 Cb 0.25 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 2jqo s LYS 35 CO 0.32 -0.06 0.79 0.00 -0.92 0.00 0.00 175.35 175.48 2jqo s ALA 36 N 0.66 3.55 0.89 5.17 0.00 -1.26 -4.98 121.76 125.79 2jqo s ALA 36 Ca 0.53 -0.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 2jqo s ALA 36 Cb -0.26 -3.19 0.13 0.00 0.00 0.00 0.00 23.12 19.80 2jqo s ALA 36 CO 0.30 -0.69 1.10 -1.25 0.00 0.00 0.00 175.76 175.21 2jqo s PRO 37 N 2.25 1.30 0.15 0.00 0.04 -1.26 -5.07 135.00 132.41 2jqo s PRO 37 Ca 0.36 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.13 2jqo s PRO 37 Cb -0.16 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.58 2jqo s PRO 37 CO 0.11 -2.18 0.20 0.41 0.04 0.00 0.00 177.00 175.57 2jqo n GLY 38 N -1.38 2.12 0.31 0.56 0.00 -1.26 -4.97 105.19 100.57 2jqo n GLY 38 Ca 0.07 -2.16 -0.06 0.00 0.00 0.00 0.00 46.02 43.86 2jqo n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jqo h LYS 39 N 0.00 1.07 -0.51 1.61 1.63 -1.99 -2.44 116.57 115.94 2jqo h LYS 39 Ca -0.08 -0.17 -0.07 0.00 -0.85 0.00 0.00 60.65 59.48 2jqo h LYS 39 Cb 0.34 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 2jqo h LYS 39 CO 0.11 0.85 0.05 1.49 -3.45 0.00 0.00 179.45 178.50 2jqo h GLU 40 N 1.03 0.82 -0.48 1.90 4.81 -1.98 -2.22 114.58 118.45 2jqo h GLU 40 Ca 0.25 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2jqo h GLU 40 Cb 0.16 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2jqo h GLU 40 CO -0.03 0.79 0.30 -0.44 -0.73 0.00 0.00 179.01 178.91 2jqo h ASP 41 N 0.77 0.57 0.78 1.04 3.32 -1.83 -0.88 116.42 120.20 2jqo h ASP 41 Ca 0.16 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2jqo h ASP 41 Cb 0.40 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2jqo h ASP 41 CO 0.01 0.44 0.00 -1.22 -1.72 0.00 0.00 179.24 176.75 2jqo n TYR 42 N -4.72 0.77 0.49 4.55 4.01 -1.00 -1.82 117.16 119.43 2jqo n TYR 42 Ca 0.02 0.29 0.11 0.00 -0.16 0.00 0.00 57.90 58.17 2jqo n TYR 42 Cb 0.04 -0.97 0.01 0.00 -0.31 0.00 0.00 39.34 38.11 2jqo n TYR 42 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jqo n ASN 43 N -2.19 0.60 -4.79 7.72 5.03 -0.61 -4.92 115.26 116.10 2jqo n ASN 43 Ca 0.03 -0.14 -0.33 0.00 0.87 0.00 0.00 54.58 55.01 2jqo n ASN 43 Cb 0.24 0.82 0.02 0.00 -1.02 0.00 0.00 39.78 39.84 2jqo n ASN 43 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2jqo s LEU 44 N -4.11 3.50 0.72 3.41 1.43 -0.44 -5.04 118.68 118.15 2jqo s LEU 44 Ca 0.03 1.91 -0.07 0.00 -1.03 0.00 0.00 54.13 54.96 2jqo s LEU 44 Cb 0.14 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.88 2jqo s LEU 44 CO 0.80 -1.29 1.03 -0.94 0.23 0.00 0.00 176.35 176.18 2jqo s SER 45 N -2.60 4.77 0.20 2.29 1.04 -1.26 -4.80 113.70 113.33 2jqo s SER 45 Ca 0.66 0.47 -0.13 0.00 0.48 0.00 0.00 55.95 57.43 2jqo s SER 45 Cb -0.18 -1.10 0.23 0.00 0.10 0.00 0.00 66.02 65.07 2jqo s SER 45 CO 0.37 -1.64 1.67 -0.08 0.98 0.00 0.00 173.24 174.53 2jqo h GLU 46 N -0.65 0.09 -0.59 4.02 4.81 -1.97 0.11 114.58 120.39 2jqo h GLU 46 Ca -0.44 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 2jqo h GLU 46 Cb 1.32 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 2jqo h GLU 46 CO 0.60 0.06 0.29 0.78 -0.73 0.00 0.00 179.01 180.01 2jqo h GLY 47 N 0.09 0.91 1.49 1.92 0.00 -1.98 0.39 103.07 105.88 2jqo h GLY 47 Ca 0.28 -0.45 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 2jqo h GLY 47 CO -0.49 0.42 -0.52 1.46 0.00 0.00 0.00 176.54 177.41 2jqo h GLN 48 N 0.80 0.54 -0.31 4.80 1.08 -1.73 -1.67 115.11 118.62 2jqo h GLN 48 Ca 0.20 -0.33 -0.13 0.00 -1.45 0.00 0.00 58.65 56.95 2jqo h GLN 48 Cb 0.11 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2jqo h GLN 48 CO -0.03 0.93 -0.34 -0.07 -0.95 0.00 0.00 178.83 178.38 2jqo h LEU 49 N 0.42 0.71 -1.40 1.46 3.38 -0.61 0.38 115.31 119.65 2jqo h LEU 49 Ca 0.01 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2jqo h LEU 49 Cb 1.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2jqo h LEU 49 CO 0.10 0.99 0.17 -0.03 0.09 0.00 0.00 178.44 179.76 2jqo h MET 50 N 0.57 0.58 0.13 1.13 4.05 -0.68 0.19 114.93 120.90 2jqo h MET 50 Ca 0.06 -0.07 -0.22 0.00 -0.28 0.00 0.00 59.70 59.18 2jqo h MET 50 Cb 0.85 -0.11 0.01 0.00 -0.80 0.00 0.00 31.60 31.55 2jqo h MET 50 CO 0.07 0.48 -1.07 -0.97 0.23 0.00 0.00 176.91 175.65 2jqo h ASN 51 N 0.58 0.42 0.07 1.39 -1.24 -0.92 -2.73 115.58 113.15 2jqo h ASN 51 Ca 0.14 -0.90 -0.12 0.00 0.71 0.00 0.00 56.30 56.13 2jqo h ASN 51 Cb 0.11 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 2jqo h ASN 51 CO -0.02 1.49 -0.39 0.50 -1.29 0.00 0.00 177.43 177.72 2jqo h LYS 52 N -0.36 0.42 -1.08 6.67 3.64 -0.17 -3.00 116.57 122.70 2jqo h LYS 52 Ca -0.21 -0.20 -0.60 0.00 -1.27 0.00 0.00 60.65 58.36 2jqo h LYS 52 Cb 1.68 -0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 33.11 2jqo h LYS 52 CO 0.10 0.75 -0.31 1.19 -2.27 0.00 0.00 179.45 178.92 2jqo n PHE 53 N -4.03 3.01 -1.69 1.91 3.72 0.05 -5.05 117.46 115.38 2jqo n PHE 53 Ca -0.01 -2.59 -0.54 0.00 -0.05 0.00 0.00 57.45 54.26 2jqo n PHE 53 Cb 0.49 -0.57 -0.06 0.00 -0.94 0.00 0.00 39.48 38.40 2jqo n PHE 53 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2jqo n LYS 54 N -0.68 1.51 -0.73 -1.08 4.81 -1.03 -0.60 118.16 120.36 2jqo n LYS 54 Ca 0.47 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 2jqo n LYS 54 Cb 0.78 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.51 2jqo n LYS 54 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jqo n ASN 55 N 6.08 -0.09 0.03 3.14 3.02 -1.26 -4.68 115.26 121.50 2jqo n ASN 55 Ca 0.26 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.91 2jqo n ASN 55 Cb 0.19 -1.37 -0.11 0.00 -0.61 0.00 0.00 39.78 37.88 2jqo n ASN 55 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jqo n ASN 56 N -0.01 0.33 -4.66 6.41 3.02 0.23 -4.88 115.26 115.71 2jqo n ASN 56 Ca 0.00 0.13 -0.40 0.00 -0.03 0.00 0.00 54.58 54.28 2jqo n ASN 56 Cb 0.01 1.36 -0.06 0.00 -0.61 0.00 0.00 39.78 40.48 2jqo n ASN 56 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2jqo s ILE 57 N -3.42 5.05 -0.11 2.41 2.07 -0.44 -0.91 121.20 125.86 2jqo s ILE 57 Ca -0.05 1.09 0.02 0.00 -1.41 0.00 0.00 60.65 60.29 2jqo s ILE 57 Cb 0.12 -3.90 0.01 0.00 0.13 0.00 0.00 42.46 38.82 2jqo s ILE 57 CO 0.86 0.13 -0.15 -0.69 -1.91 0.00 0.00 174.94 173.18 2jqo s VAL 58 N 1.87 1.47 -0.45 4.00 1.01 0.73 -4.00 120.40 125.04 2jqo s VAL 58 Ca 0.27 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 2jqo s VAL 58 Cb -0.16 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.91 2jqo s VAL 58 CO 0.10 0.44 0.55 -0.63 0.00 0.00 0.00 175.10 175.55 2jqo s ILE 59 N 0.99 4.95 -0.02 2.22 1.01 -0.99 -0.47 121.20 128.89 2jqo s ILE 59 Ca -0.07 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 2jqo s ILE 59 Cb -0.15 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 2jqo s ILE 59 CO -0.01 -0.58 0.23 0.68 0.00 0.00 0.00 174.94 175.26 2jqo s VAL 60 N 2.47 5.35 0.08 2.92 -7.23 0.23 -2.40 120.40 121.82 2jqo s VAL 60 Ca 0.16 0.16 -0.28 0.00 -1.81 0.00 0.00 61.98 60.20 2jqo s VAL 60 Cb -0.17 -3.53 -0.05 0.00 0.56 0.00 0.00 36.38 33.19 2jqo s VAL 60 CO 0.15 0.42 0.90 -0.83 -0.31 0.00 0.00 175.10 175.44 2jqo s GLY 61 N -1.57 2.93 -0.13 2.32 0.00 0.15 -0.35 107.32 110.67 2jqo s GLY 61 Ca 0.25 0.48 0.16 0.00 0.00 0.00 0.00 44.72 45.61 2jqo s GLY 61 CO 0.14 1.38 1.52 1.04 0.00 0.00 0.00 173.10 177.18 2jqo n LEU 62 N 2.93 4.34 0.06 0.66 4.77 0.72 -2.59 117.00 127.91 2jqo n LEU 62 Ca 0.01 -2.62 0.04 0.00 -0.03 0.00 0.00 56.01 53.42 2jqo n LEU 62 Cb 0.50 -0.53 0.46 0.00 -2.33 0.00 0.00 43.42 41.52 2jqo n LEU 62 CO 0.50 0.73 1.11 0.28 -1.33 0.00 0.00 177.39 178.68 2jqo h SER 63 N 3.03 0.35 0.46 -1.43 0.02 -1.87 -1.91 113.55 112.20 2jqo h SER 63 Ca 0.00 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.73 2jqo h SER 63 Cb 1.41 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 2jqo h SER 63 CO 0.23 0.28 -0.86 -0.33 -1.14 0.00 0.00 176.83 175.02 2jqo h GLU 64 N 0.41 0.28 -4.18 3.45 3.07 -1.82 -3.40 114.58 112.39 2jqo h GLU 64 Ca 0.11 -0.29 -0.72 0.00 -0.50 0.00 0.00 59.36 57.96 2jqo h GLU 64 Cb 0.00 0.08 -0.31 0.00 -0.84 0.00 0.00 28.75 27.68 2jqo h GLU 64 CO -0.02 0.98 -0.38 0.42 -1.40 0.00 0.00 179.01 178.62 2jqo s ILE 65 N -3.31 4.07 -2.07 3.13 1.01 -0.72 -4.90 121.20 118.41 2jqo s ILE 65 Ca -0.04 -2.08 0.13 0.00 0.00 0.00 0.00 60.65 58.67 2jqo s ILE 65 Cb 0.10 -3.68 0.34 0.00 0.01 0.00 0.00 42.46 39.23 2jqo s ILE 65 CO 0.84 -0.80 1.41 -0.90 0.00 0.00 0.00 174.94 175.49 2jqo n ASP 66 N 4.55 0.83 -1.56 3.58 5.75 -1.26 -3.05 116.55 125.39 2jqo n ASP 66 Ca -0.03 -1.75 0.09 0.00 -0.01 0.00 0.00 54.79 53.10 2jqo n ASP 66 Cb 0.41 -0.08 0.35 0.00 -1.03 0.00 0.00 41.12 40.77 2jqo n ASP 66 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jqo n ASN 67 N -0.16 4.62 -0.41 -1.12 3.02 -1.26 -4.46 115.26 115.49 2jqo n ASN 67 Ca 0.11 -2.40 0.06 0.00 -0.03 0.00 0.00 54.58 52.32 2jqo n ASN 67 Cb 0.17 -0.57 0.24 0.00 -0.61 0.00 0.00 39.78 39.01 2jqo n ASN 67 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jqo n THR 68 N 1.15 0.24 0.81 3.41 -2.24 -1.17 -3.59 114.28 112.88 2jqo n THR 68 Ca 0.25 -0.28 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 2jqo n THR 68 Cb 0.86 0.16 0.49 0.00 -2.10 0.00 0.00 70.33 69.73 2jqo n THR 68 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jqo n ASP 69 N 0.09 0.43 0.27 3.42 2.03 -1.26 -2.29 116.55 119.24 2jqo n ASP 69 Ca 0.11 0.50 0.17 0.00 0.52 0.00 0.00 54.79 56.08 2jqo n ASP 69 Cb 0.22 -0.59 0.61 0.00 -0.72 0.00 0.00 41.12 40.63 2jqo n ASP 69 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2jqo h ASP 70 N 0.00 0.00 -4.03 1.67 5.19 -1.94 -3.44 116.42 113.86 2jqo h ASP 70 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 2jqo h ASP 70 Cb 0.62 0.00 0.08 0.00 0.18 0.00 0.00 39.33 40.22 2jqo h ASP 70 CO 0.00 0.00 0.50 -0.22 -3.12 0.00 0.00 179.24 176.40 2jqo s LEU 71 N -6.18 3.90 0.44 1.55 2.96 -0.97 -5.05 118.68 115.33 2jqo s LEU 71 Ca 0.02 2.38 0.05 0.00 -0.22 0.00 0.00 54.13 56.37 2jqo s LEU 71 Cb 0.08 -4.34 -0.06 0.00 0.50 0.00 0.00 46.19 42.37 2jqo s LEU 71 CO 0.56 -1.16 0.02 -0.54 -1.32 0.00 0.00 176.35 173.92 2jqo s LYS 72 N -2.90 2.04 -0.12 1.98 1.02 -1.26 -5.08 119.74 115.42 2jqo s LYS 72 Ca 0.68 -2.17 -0.25 0.00 0.02 0.00 0.00 55.97 54.25 2jqo s LYS 72 Cb -0.30 -1.64 -0.02 0.00 -0.52 0.00 0.00 37.83 35.35 2jqo s LYS 72 CO 0.36 -0.15 0.79 1.03 -0.92 0.00 0.00 175.35 176.46 2jqo s ARG 73 N -3.78 4.36 0.00 1.68 0.52 -1.26 -3.54 118.95 116.93 2jqo s ARG 73 Ca 0.27 0.99 0.00 0.00 -0.52 0.00 0.00 55.73 56.48 2jqo s ARG 73 Cb 0.07 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 32.02 2jqo s ARG 73 CO 0.14 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.70 2jqo n GLY 74 N 3.31 1.13 3.95 -3.53 0.00 0.31 -5.01 105.19 105.35 2jqo n GLY 74 Ca 0.02 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 2jqo n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jqo s GLU 75 N -1.67 3.47 -0.26 1.61 2.56 -0.98 -4.84 118.70 118.58 2jqo s GLU 75 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 54.97 54.55 2jqo s GLU 75 Cb 0.00 -2.71 0.05 0.00 2.00 0.00 0.00 34.13 33.47 2jqo s GLU 75 CO 0.00 0.21 -0.08 0.21 -0.56 0.00 0.00 175.26 175.04 2jqo s LYS 76 N -4.24 2.42 0.30 4.30 2.20 -1.26 0.28 119.74 123.74 2jqo s LYS 76 Ca 0.39 -1.25 0.03 0.00 -0.36 0.00 0.00 55.97 54.78 2jqo s LYS 76 Cb -0.09 -2.96 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 2jqo s LYS 76 CO 0.34 -0.54 0.10 0.96 -0.36 0.00 0.00 175.35 175.86 2jqo s ILE 77 N 1.18 0.69 -0.18 5.43 -4.36 -0.42 -2.19 121.20 121.36 2jqo s ILE 77 Ca -0.06 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.31 2jqo s ILE 77 Cb -0.19 -2.62 0.05 0.00 1.25 0.00 0.00 42.46 40.95 2jqo s ILE 77 CO -0.04 0.00 0.02 -0.75 0.24 0.00 0.00 174.94 174.40 2jqo s LYS 78 N -3.92 0.80 0.21 0.37 2.20 -0.37 -0.93 119.74 118.10 2jqo s LYS 78 Ca 0.35 -0.42 0.06 0.00 -0.36 0.00 0.00 55.97 55.61 2jqo s LYS 78 Cb 0.07 -2.01 -0.04 0.00 -1.51 0.00 0.00 37.83 34.34 2jqo s LYS 78 CO 0.15 -0.58 0.14 0.14 -0.36 0.00 0.00 175.35 174.84 2jqo s VAL 79 N 1.81 4.34 -0.17 4.02 -7.23 0.58 0.26 120.40 124.02 2jqo s VAL 79 Ca -0.01 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2jqo s VAL 79 Cb -0.16 -3.28 0.01 0.00 0.56 0.00 0.00 36.38 33.50 2jqo s VAL 79 CO -0.07 -0.23 -0.16 0.26 -0.31 0.00 0.00 175.10 174.58 2jqo s TRP 80 N -1.95 2.79 0.18 2.82 0.51 -0.71 -0.21 118.94 122.37 2jqo s TRP 80 Ca 0.31 -1.25 0.08 0.00 -2.12 0.00 0.00 56.10 53.12 2jqo s TRP 80 Cb -0.09 -1.92 -0.04 0.00 -0.81 0.00 0.00 33.47 30.61 2jqo s TRP 80 CO 0.23 -0.60 -0.16 -0.59 -0.51 0.00 0.00 176.95 175.32 2jqo s PHE 81 N 1.04 1.72 -0.05 -1.98 -0.12 -1.02 -3.46 117.98 114.12 2jqo s PHE 81 Ca -0.01 -0.53 -0.03 0.00 -0.05 0.00 0.00 56.93 56.31 2jqo s PHE 81 Cb -0.15 -0.83 -0.27 0.00 -0.63 0.00 0.00 43.02 41.14 2jqo s PHE 81 CO -0.05 0.33 0.63 0.45 -0.05 0.00 0.00 175.22 176.54 2jqo h HIS 82 N 2.90 0.43 -3.76 3.49 3.86 -1.90 -2.26 115.15 117.92 2jqo h HIS 82 Ca -0.40 -0.32 -0.08 0.00 -1.16 0.00 0.00 60.37 58.41 2jqo h HIS 82 Cb 1.21 -0.02 -0.10 0.00 1.06 0.00 0.00 27.41 29.56 2jqo h HIS 82 CO 0.70 1.50 -0.20 -0.08 0.86 0.00 0.00 177.93 180.71 2jqo s THR 83 N -2.59 0.02 -0.07 2.45 -1.32 -1.26 -4.87 115.64 108.00 2jqo s THR 83 Ca -0.14 -1.41 0.04 0.00 -1.21 0.00 0.00 61.69 58.97 2jqo s THR 83 Cb 0.07 -2.11 0.00 0.00 -1.51 0.00 0.00 72.50 68.95 2jqo s THR 83 CO 0.82 -0.07 -0.19 -0.60 -2.21 0.00 0.00 174.62 172.37 2jqo s ARG 84 N -4.01 2.32 -0.55 7.08 3.52 -1.26 -4.57 118.95 121.48 2jqo s ARG 84 Ca 0.22 -0.69 -0.05 0.00 -0.13 0.00 0.00 55.73 55.07 2jqo s ARG 84 Cb 0.01 -1.86 0.14 0.00 -1.56 0.00 0.00 34.95 31.68 2jqo s ARG 84 CO 0.07 0.18 0.38 0.21 -0.81 0.00 0.00 175.30 175.33 2jqo s LYS 85 N 0.29 2.48 -1.15 5.12 2.47 0.15 -5.01 119.74 124.10 2jqo s LYS 85 Ca -0.12 -2.16 -0.19 0.00 -1.56 0.00 0.00 55.97 51.94 2jqo s LYS 85 Cb -0.15 -3.80 0.09 0.00 -1.46 0.00 0.00 37.83 32.50 2jqo s LYS 85 CO 0.05 -1.16 1.52 -1.21 0.16 0.00 0.00 175.35 174.70 2jqo s GLU 86 N 0.61 3.82 0.08 4.03 2.02 -1.26 0.01 118.70 128.02 2jqo s GLU 86 Ca 0.12 -1.78 0.26 0.00 0.02 0.00 0.00 54.97 53.59 2jqo s GLU 86 Cb -0.21 -5.32 0.71 0.00 0.10 0.00 0.00 34.13 29.41 2jqo s GLU 86 CO -0.03 -2.10 1.60 0.43 0.02 0.00 0.00 175.26 175.17 2jqo n SER 87 N 7.87 0.50 -2.70 -0.19 7.64 -1.26 -4.88 113.62 120.61 2jqo n SER 87 Ca 0.39 0.23 -0.00 0.00 1.01 0.00 0.00 58.87 60.50 2jqo n SER 87 Cb 0.48 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2jqo n SER 87 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jqo n ASN 88 N -1.85 -7.98 -4.78 6.43 5.03 -1.26 -4.84 115.26 106.03 2jqo n ASN 88 Ca 0.05 1.43 -0.34 0.00 0.87 0.00 0.00 54.58 56.58 2jqo n ASN 88 Cb 0.39 -5.30 0.01 0.00 -1.02 0.00 0.00 39.78 33.86 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2jqo s PRO 89 N -1.62 3.26 0.60 3.52 0.04 -1.26 -5.10 135.00 134.44 2jqo s PRO 89 Ca 0.00 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 2jqo s PRO 89 Cb -0.00 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2jqo s PRO 89 CO 0.78 -0.91 1.10 -2.14 0.04 0.00 0.00 177.00 175.86 2jqo s PRO 90 N -3.48 3.15 0.12 0.56 0.02 -1.26 -4.90 135.00 129.22 2jqo s PRO 90 Ca 0.71 1.41 0.02 0.00 0.02 0.00 0.00 61.00 63.16 2jqo s PRO 90 Cb -0.23 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 2jqo s PRO 90 CO 0.30 -0.97 -0.05 0.45 -0.33 0.00 0.00 177.00 176.39 2jqo s SER 91 N -2.34 1.19 0.28 2.53 0.15 0.10 -2.34 113.70 113.26 2jqo s SER 91 Ca 0.68 -1.04 -0.19 0.00 0.70 0.00 0.00 55.95 56.10 2jqo s SER 91 Cb -0.20 0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.22 2jqo s SER 91 CO 0.35 -0.48 0.67 0.00 1.20 0.00 0.00 173.24 174.98 2jqo s ALA 92 N -3.62 -0.96 -0.05 5.45 0.00 -1.01 -0.68 121.76 120.90 2jqo s ALA 92 Ca 0.15 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.65 2jqo s ALA 92 Cb 0.05 0.89 0.02 0.00 0.00 0.00 0.00 23.12 24.08 2jqo s ALA 92 CO -0.03 -0.99 -0.08 0.99 0.00 0.00 0.00 175.76 175.64 2jqo s THR 93 N -3.83 0.82 0.01 0.00 2.01 -1.26 0.30 115.64 113.69 2jqo s THR 93 Ca 0.14 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.86 2jqo s THR 93 Cb -0.05 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 2jqo s THR 93 CO 0.08 0.28 -0.02 0.27 -0.69 0.00 0.00 174.62 174.53 2jqo s ILE 94 N 0.68 3.95 -0.21 1.82 -4.36 -1.07 -4.35 121.20 117.66 2jqo s ILE 94 Ca -0.12 -0.70 0.12 0.00 -0.26 0.00 0.00 60.65 59.69 2jqo s ILE 94 Cb -0.14 -2.76 -0.16 0.00 1.25 0.00 0.00 42.46 40.65 2jqo s ILE 94 CO 0.02 0.36 0.35 0.00 0.24 0.00 0.00 174.94 175.90 2jqo n GLN 95 N 1.37 1.43 -3.55 0.37 6.02 -1.22 -4.50 117.38 117.29 2jqo n GLN 95 Ca -0.15 -0.07 -0.16 0.00 -0.01 0.00 0.00 57.00 56.62 2jqo n GLN 95 Cb 0.53 -1.19 -0.06 0.00 1.02 0.00 0.00 30.24 30.53 2jqo n GLN 95 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2jqo s LYS 96 N -2.55 0.92 0.18 -1.09 2.20 -1.26 -4.79 119.74 113.36 2jqo s LYS 96 Ca -0.01 0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 55.85 2jqo s LYS 96 Cb 0.08 0.44 0.01 0.00 -1.51 0.00 0.00 37.83 36.85 2jqo s LYS 96 CO 0.49 -0.25 0.42 1.52 -0.36 0.00 0.00 175.35 177.16 2jqo s TYR 97 N -0.83 0.10 -0.07 4.03 1.13 -1.26 -1.73 117.35 118.71 2jqo s TYR 97 Ca -0.07 -0.46 0.03 0.00 -1.41 0.00 0.00 57.07 55.16 2jqo s TYR 97 Cb -0.01 0.20 -0.02 0.00 -1.10 0.00 0.00 41.96 41.03 2jqo s TYR 97 CO 0.06 -0.83 -0.15 -1.21 -2.51 0.00 0.00 175.55 170.91 2jqo s GLU 98 N -3.91 2.77 -0.28 -3.49 2.02 0.14 -4.98 118.70 110.97 2jqo s GLU 98 Ca 0.12 -0.72 -0.18 0.00 0.02 0.00 0.00 54.97 54.21 2jqo s GLU 98 Cb 0.01 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 2jqo s GLU 98 CO -0.02 0.47 0.53 -1.17 0.02 0.00 0.00 175.26 175.10 2jqo s LEU 99 N -0.34 4.11 -0.26 1.80 2.96 -1.26 -1.24 118.68 124.44 2jqo s LEU 99 Ca 0.03 0.43 -0.26 0.00 -0.22 0.00 0.00 54.13 54.11 2jqo s LEU 99 Cb -0.13 -2.67 0.00 0.00 0.50 0.00 0.00 46.19 43.89 2jqo s LEU 99 CO 0.02 -0.34 0.90 -0.76 -1.32 0.00 0.00 176.35 174.85 2jqo s LEU 100 N 2.37 4.07 0.00 -0.68 1.43 -0.93 -4.89 118.68 120.04 2jqo s LEU 100 Ca 0.21 1.05 0.24 0.00 -1.03 0.00 0.00 54.13 54.61 2jqo s LEU 100 Cb -0.15 -3.30 1.40 0.00 0.03 0.00 0.00 46.19 44.17 2jqo s LEU 100 CO 0.10 -0.62 1.82 0.18 0.23 0.00 0.00 176.35 178.07 2jqo n LEU 101 N 6.23 0.00 0.12 1.79 4.77 -1.26 -2.42 117.00 126.23 2jqo n LEU 101 Ca 0.08 0.08 0.11 0.00 -0.03 0.00 0.00 56.01 56.25 2jqo n LEU 101 Cb 0.47 -0.08 0.48 0.00 -2.33 0.00 0.00 43.42 41.96 2jqo n LEU 101 CO 0.50 -0.02 0.83 -0.62 -1.33 0.00 0.00 177.39 176.76 2jqo n GLU 102 N -1.08 0.16 0.04 3.23 1.02 -1.26 -3.11 120.64 119.64 2jqo n GLU 102 Ca 0.17 0.44 -0.11 0.00 -0.02 0.00 0.00 57.16 57.64 2jqo n GLU 102 Cb 0.11 -1.84 -0.04 0.00 -0.02 0.00 0.00 31.44 29.65 2jqo n GLU 102 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2jqo h HIS 103 N 0.00 -0.36 -3.15 -0.32 2.76 -1.80 -3.33 115.15 108.95 2jqo h HIS 103 Ca 0.00 0.01 -0.63 0.00 -2.20 0.00 0.00 60.37 57.55 2jqo h HIS 103 Cb 0.29 0.16 -0.41 0.00 1.55 0.00 0.00 27.41 29.00 2jqo h HIS 103 CO 0.00 -0.21 -0.54 -1.58 -1.30 0.00 0.00 177.93 174.30 2jqo s HIS 104 N -6.14 3.55 -0.06 5.26 5.65 -1.18 -5.07 115.29 117.30 2jqo s HIS 104 Ca -0.14 -3.29 -0.30 0.00 0.25 0.00 0.00 55.06 51.58 2jqo s HIS 104 Cb 0.09 -2.77 -0.05 0.00 -1.18 0.00 0.00 32.58 28.67 2jqo s HIS 104 CO 0.67 -0.59 1.49 -1.01 -0.65 0.00 0.00 174.74 174.65 2jqo s HIS 105 N -1.29 2.43 -0.24 3.88 3.76 -1.25 -4.98 115.29 117.61 2jqo s HIS 105 Ca 0.24 0.56 -0.24 0.00 -0.15 0.00 0.00 55.06 55.46 2jqo s HIS 105 Cb -0.08 -3.75 -0.01 0.00 1.11 0.00 0.00 32.58 29.85 2jqo s HIS 105 CO -0.14 -2.97 0.81 -1.01 -0.85 0.00 0.00 174.74 170.58 2jqo s HIS 106 N 3.43 3.32 -0.09 1.40 3.76 -1.26 -5.04 115.29 120.80 2jqo s HIS 106 Ca 0.66 1.11 0.01 0.00 -0.15 0.00 0.00 55.06 56.70 2jqo s HIS 106 Cb -0.30 -3.02 -0.02 0.00 1.11 0.00 0.00 32.58 30.34 2jqo s HIS 106 CO 0.25 -0.38 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.06 2jqo s HIS 107 N 2.75 2.78 -2.40 1.40 2.46 -1.26 -5.26 115.29 115.75 2jqo s HIS 107 Ca 0.34 -0.35 0.19 0.00 0.47 0.00 0.00 55.06 55.72 2jqo s HIS 107 Cb -0.15 -1.74 0.15 0.00 -0.13 0.00 0.00 32.58 30.71 2jqo s HIS 107 CO 0.08 0.02 1.11 0.72 -2.47 0.00 0.00 174.74 174.20