#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 1.45 0.07 7.83 4.13 -1.26 -5.03 115.26 122.46 2jqo n ASN 2 Ca 0.00 -0.57 0.12 0.00 1.68 0.00 0.00 54.58 55.81 2jqo n ASN 2 Cb 0.00 0.00 0.19 0.00 -1.54 0.00 0.00 39.78 38.43 2jqo n ASN 2 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2jqo h LYS 3 N 0.00 0.00 -4.34 3.52 1.57 -2.02 -3.41 116.57 111.89 2jqo h LYS 3 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 2jqo h LYS 3 Cb 0.00 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 31.92 2jqo h LYS 3 CO 0.00 0.00 -0.77 1.21 -0.57 0.00 0.00 179.45 179.32 2jqo s ASN 4 N -4.41 4.12 0.41 0.86 3.84 -1.26 -5.00 114.94 113.50 2jqo s ASN 4 Ca 0.06 -1.47 -0.02 0.00 0.21 0.00 0.00 52.86 51.64 2jqo s ASN 4 Cb 0.13 -1.25 -0.03 0.00 -0.55 0.00 0.00 41.25 39.54 2jqo s ASN 4 CO 0.71 -0.29 0.66 -1.61 -2.79 0.00 0.00 177.10 173.77 2jqo s GLU 5 N 1.30 3.49 -0.56 0.43 0.41 -1.26 -3.95 118.70 118.57 2jqo s GLU 5 Ca -0.00 -0.11 -0.20 0.00 -0.41 0.00 0.00 54.97 54.25 2jqo s GLU 5 Cb -0.19 -2.53 0.07 0.00 -1.78 0.00 0.00 34.13 29.70 2jqo s GLU 5 CO -0.09 -0.02 0.73 -1.14 -0.49 0.00 0.00 175.26 174.24 2jqo s GLN 6 N -4.51 3.11 0.63 1.61 0.74 -1.22 -4.53 119.66 115.49 2jqo s GLN 6 Ca 0.43 -0.97 -0.17 0.00 0.05 0.00 0.00 55.36 54.70 2jqo s GLN 6 Cb -0.10 -4.17 -0.02 0.00 1.10 0.00 0.00 33.01 29.83 2jqo s GLN 6 CO 0.40 -1.44 1.18 -0.80 -0.55 0.00 0.00 175.29 174.08 2jqo s ASN 7 N 3.16 5.03 -1.06 6.67 -0.87 -1.26 -4.89 114.94 121.72 2jqo s ASN 7 Ca 0.16 2.29 -0.08 0.00 -1.57 0.00 0.00 52.86 53.67 2jqo s ASN 7 Cb -0.20 -2.59 -0.09 0.00 -0.02 0.00 0.00 41.25 38.35 2jqo s ASN 7 CO 0.10 -1.69 3.04 0.61 -2.57 0.00 0.00 177.10 176.59 2jqo n GLY 8 N 0.26 4.08 3.57 0.66 0.00 -1.26 -4.77 105.19 107.74 2jqo n GLY 8 Ca 0.13 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 2jqo n GLY 8 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jqo s ASP 9 N 1.71 -0.43 0.26 1.61 -1.08 -1.26 -5.04 116.67 112.43 2jqo s ASP 9 Ca 0.66 0.50 0.12 0.00 -0.52 0.00 0.00 52.55 53.31 2jqo s ASP 9 Cb 0.23 0.40 0.27 0.00 -1.46 0.00 0.00 42.92 42.36 2jqo s ASP 9 CO -0.06 -0.37 1.55 -0.33 0.52 0.00 0.00 175.17 176.48 2jqo h GLU 10 N 2.80 0.00 0.00 4.34 5.08 -2.04 -3.45 114.58 121.31 2jqo h GLU 10 Ca -0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2jqo h GLU 10 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2jqo h GLU 10 CO 0.30 0.65 0.00 0.25 -1.00 0.00 0.00 179.01 179.21 2jqo n THR 11 N -3.59 0.00 -2.30 1.13 -2.24 -1.26 -4.49 114.28 101.53 2jqo n THR 11 Ca -0.00 -0.01 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 2jqo n THR 11 Cb 0.68 -1.60 -0.01 0.00 -2.10 0.00 0.00 70.33 67.30 2jqo n THR 11 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jqo n LYS 12 N -1.02 -1.35 -2.61 -0.78 5.02 -1.26 -4.97 118.16 111.18 2jqo n LYS 12 Ca 0.00 0.84 -0.38 0.00 -2.02 0.00 0.00 58.31 56.75 2jqo n LYS 12 Cb 0.01 -5.28 -0.05 0.00 -0.02 0.00 0.00 35.03 29.69 2jqo n LYS 12 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2jqo s MET 13 N -4.80 4.47 -0.31 1.97 -1.94 -1.26 -4.97 119.30 112.45 2jqo s MET 13 Ca 0.00 1.54 -0.26 0.00 -1.71 0.00 0.00 55.69 55.26 2jqo s MET 13 Cb 0.00 -2.86 0.01 0.00 2.01 0.00 0.00 34.83 33.99 2jqo s MET 13 CO 0.00 0.13 0.92 -0.65 -0.01 0.00 0.00 175.02 175.41 2jqo s GLN 14 N -1.97 4.00 -0.08 2.03 -0.21 -0.47 -4.78 119.66 118.18 2jqo s GLN 14 Ca 0.51 0.80 -0.01 0.00 0.02 0.00 0.00 55.36 56.68 2jqo s GLN 14 Cb -0.24 -3.73 -0.03 0.00 1.00 0.00 0.00 33.01 30.00 2jqo s GLN 14 CO 0.31 -0.78 -0.02 0.45 -2.12 0.00 0.00 175.29 173.13 2jqo s SER 15 N 1.63 5.06 0.12 5.90 0.15 -1.25 -2.37 113.70 122.94 2jqo s SER 15 Ca 0.38 0.09 -0.00 0.00 0.70 0.00 0.00 55.95 57.12 2jqo s SER 15 Cb -0.13 -1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 62.73 2jqo s SER 15 CO 0.14 0.36 0.01 -0.76 1.20 0.00 0.00 173.24 174.19 2jqo s LEU 16 N -0.80 2.09 -0.04 3.45 1.02 -0.95 -4.97 118.68 118.48 2jqo s LEU 16 Ca 0.12 -1.13 -0.12 0.00 0.02 0.00 0.00 54.13 53.03 2jqo s LEU 16 Cb -0.11 0.16 -0.05 0.00 0.02 0.00 0.00 46.19 46.21 2jqo s LEU 16 CO 0.02 -0.64 0.31 -0.69 0.02 0.00 0.00 176.35 175.38 2jqo s VAL 17 N -3.89 5.20 -0.12 -1.59 1.01 -1.26 -1.29 120.40 118.45 2jqo s VAL 17 Ca 0.19 0.59 -0.09 0.00 0.00 0.00 0.00 61.98 62.66 2jqo s VAL 17 Cb 0.07 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.89 2jqo s VAL 17 CO -0.01 0.57 0.31 -0.83 0.00 0.00 0.00 175.10 175.14 2jqo s GLY 18 N -1.12 -0.22 -0.19 4.51 0.00 -0.32 -4.47 107.32 105.50 2jqo s GLY 18 Ca 0.21 0.97 -0.20 0.00 0.00 0.00 0.00 44.72 45.71 2jqo s GLY 18 CO 0.11 0.96 0.58 -0.19 0.00 0.00 0.00 173.10 174.55 2jqo s TYR 19 N 0.53 3.39 -0.61 1.90 2.02 -0.08 -0.97 117.35 123.52 2jqo s TYR 19 Ca -0.03 0.88 -0.27 0.00 -0.37 0.00 0.00 57.07 57.28 2jqo s TYR 19 Cb -0.04 -2.73 0.04 0.00 -0.40 0.00 0.00 41.96 38.82 2jqo s TYR 19 CO -0.03 -0.11 1.14 0.08 -1.57 0.00 0.00 175.55 175.06 2jqo s VAL 20 N 1.66 4.06 -0.25 0.71 1.01 0.69 -0.92 120.40 127.37 2jqo s VAL 20 Ca 0.27 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.81 2jqo s VAL 20 Cb -0.16 -4.72 -0.16 0.00 0.00 0.00 0.00 36.38 31.34 2jqo s VAL 20 CO 0.10 -1.41 -0.23 1.33 0.00 0.00 0.00 175.10 174.89 2jqo n VAL 21 N 6.45 1.42 -4.33 2.92 0.24 -1.15 0.91 118.33 124.78 2jqo n VAL 21 Ca 0.05 -0.52 -0.20 0.00 -2.04 0.00 0.00 64.34 61.63 2jqo n VAL 21 Cb 0.48 -1.44 -0.13 0.00 -1.47 0.00 0.00 33.84 31.29 2jqo n VAL 21 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jqo s LEU 22 N -6.57 2.18 -0.08 1.34 1.43 -1.07 -4.46 118.68 111.46 2jqo s LEU 22 Ca -0.34 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.29 2jqo s LEU 22 Cb 0.09 -0.59 0.02 0.00 0.03 0.00 0.00 46.19 45.75 2jqo s LEU 22 CO 0.56 0.02 -0.04 -0.75 0.23 0.00 0.00 176.35 176.36 2jqo s LYS 23 N -1.19 1.03 0.00 1.70 2.20 -1.26 -1.10 119.74 121.12 2jqo s LYS 23 Ca 0.01 -0.10 0.22 0.00 -0.36 0.00 0.00 55.97 55.73 2jqo s LYS 23 Cb -0.08 -1.15 0.06 0.00 -1.51 0.00 0.00 37.83 35.15 2jqo s LYS 23 CO 0.01 -0.20 1.10 -0.25 -0.36 0.00 0.00 175.35 175.65 2jqo n ASP 24 N 4.66 2.30 0.00 1.43 8.00 0.22 -4.99 116.55 128.18 2jqo n ASP 24 Ca -0.15 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.70 2jqo n ASP 24 Cb 0.50 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 2jqo n ASP 24 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jqo n ASN 25 N 0.47 0.00 0.20 -2.24 5.15 -1.26 -4.05 115.26 113.52 2jqo n ASN 25 Ca 0.10 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.21 2jqo n ASN 25 Cb 0.49 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 39.97 2jqo n ASN 25 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2jqo h GLU 26 N 0.00 0.00 -4.72 1.20 4.39 -1.93 -3.44 114.58 110.09 2jqo h GLU 26 Ca 0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 2jqo h GLU 26 Cb 0.00 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.50 2jqo h GLU 26 CO 0.00 0.00 -0.70 1.03 -1.16 0.00 0.00 179.01 178.18 2jqo s ARG 27 N -3.20 0.86 -0.05 2.33 0.52 -1.26 -1.61 118.95 116.55 2jqo s ARG 27 Ca 0.08 -1.34 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 2jqo s ARG 27 Cb 0.07 -0.27 0.02 0.00 0.52 0.00 0.00 34.95 35.29 2jqo s ARG 27 CO 0.65 -0.00 -0.03 0.00 0.02 0.00 0.00 175.30 175.94 2jqo s ALA 28 N -3.52 0.66 -0.56 2.13 0.00 -0.65 -0.61 121.76 119.20 2jqo s ALA 28 Ca 0.12 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 2jqo s ALA 28 Cb 0.04 -0.49 0.09 0.00 0.00 0.00 0.00 23.12 22.77 2jqo s ALA 28 CO -0.04 -0.11 0.65 0.42 0.00 0.00 0.00 175.76 176.68 2jqo s ILE 29 N 1.14 4.89 -0.03 0.00 1.01 -0.26 -0.49 121.20 127.45 2jqo s ILE 29 Ca -0.08 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.69 2jqo s ILE 29 Cb -0.14 -4.41 -0.03 0.00 0.01 0.00 0.00 42.46 37.89 2jqo s ILE 29 CO -0.01 -1.00 -0.16 -0.76 0.00 0.00 0.00 174.94 173.00 2jqo s LEU 30 N 2.52 2.65 -0.42 2.97 1.43 -0.18 -2.58 118.68 125.06 2jqo s LEU 30 Ca 0.11 -0.26 -0.21 0.00 -1.03 0.00 0.00 54.13 52.74 2jqo s LEU 30 Cb -0.24 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.47 2jqo s LEU 30 CO 0.07 0.33 0.68 -0.63 0.23 0.00 0.00 176.35 177.03 2jqo s ILE 31 N -0.76 4.80 -1.08 -0.59 1.01 -0.09 -0.34 121.20 124.15 2jqo s ILE 31 Ca 0.12 0.34 0.28 0.00 0.00 0.00 0.00 60.65 61.39 2jqo s ILE 31 Cb -0.11 -4.20 0.21 0.00 0.01 0.00 0.00 42.46 38.38 2jqo s ILE 31 CO 0.01 -0.54 1.79 0.35 0.00 0.00 0.00 174.94 176.55 2jqo n THR 32 N 5.84 0.00 -3.06 2.92 -2.24 -1.22 -0.91 114.28 115.61 2jqo n THR 32 Ca -0.01 -0.01 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 2jqo n THR 32 Cb 0.48 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.93 6.36 0.00 3.42 2.15 -1.21 -4.84 116.67 119.62 2jqo s ASP 33 Ca 0.15 0.78 0.22 0.00 0.43 0.00 0.00 52.55 54.13 2jqo s ASP 33 Cb 0.19 -2.17 0.82 0.00 -0.30 0.00 0.00 42.92 41.46 2jqo s ASP 33 CO 0.57 -0.37 1.59 0.35 -0.17 0.00 0.00 175.17 177.15 2jqo n THR 34 N -1.59 0.16 -2.43 1.71 -2.24 -1.26 -4.72 114.28 103.91 2jqo n THR 34 Ca -0.01 -0.32 -0.39 0.00 -2.27 0.00 0.00 64.05 61.06 2jqo n THR 34 Cb 0.55 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 2jqo n THR 34 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2jqo s LYS 35 N -1.84 3.22 0.08 -0.78 2.20 -1.26 -4.97 119.74 116.39 2jqo s LYS 35 Ca 0.33 -0.56 -0.31 0.00 -0.36 0.00 0.00 55.97 55.07 2jqo s LYS 35 Cb 0.18 -4.87 -0.07 0.00 -1.51 0.00 0.00 37.83 31.55 2jqo s LYS 35 CO 0.28 -2.42 1.42 0.00 -0.36 0.00 0.00 175.35 174.27 2jqo s ALA 36 N 6.39 3.60 1.02 3.13 0.00 -1.26 -5.02 121.76 129.63 2jqo s ALA 36 Ca 0.49 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 53.36 2jqo s ALA 36 Cb -0.05 -3.57 0.21 0.00 0.00 0.00 0.00 23.12 19.71 2jqo s ALA 36 CO 0.02 -0.75 1.19 -0.35 0.00 0.00 0.00 175.76 175.87 2jqo n PRO 37 N 4.53 -1.37 -3.09 0.00 -0.04 -1.26 -5.11 135.00 128.67 2jqo n PRO 37 Ca 0.12 -1.85 -0.17 0.00 -0.04 0.00 0.00 63.50 61.56 2jqo n PRO 37 Cb 0.42 -1.27 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2jqo n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jqo n GLY 38 N -3.05 2.93 0.25 0.55 0.00 -1.26 -4.99 105.19 99.62 2jqo n GLY 38 Ca 0.15 -2.26 0.13 0.00 0.00 0.00 0.00 46.02 44.04 2jqo n GLY 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jqo h LYS 39 N 0.00 0.00 -0.27 1.61 2.10 -1.99 -1.92 116.57 116.10 2jqo h LYS 39 Ca -0.23 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.25 2jqo h LYS 39 Cb 0.83 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2jqo h LYS 39 CO 0.37 0.13 -0.50 0.93 -2.00 0.00 0.00 179.45 178.37 2jqo h GLU 40 N 0.00 0.76 -0.58 0.07 3.07 -1.99 -2.91 114.58 113.01 2jqo h GLU 40 Ca -0.00 -0.46 -0.08 0.00 -0.50 0.00 0.00 59.36 58.32 2jqo h GLU 40 Cb 0.52 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 2jqo h GLU 40 CO 0.02 1.09 0.06 -0.44 -1.40 0.00 0.00 179.01 178.33 2jqo h ASP 41 N 0.60 0.92 0.57 1.42 5.19 -1.74 -0.35 116.42 123.03 2jqo h ASP 41 Ca 0.02 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 2jqo h ASP 41 Cb 1.08 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.35 2jqo h ASP 41 CO 0.11 0.95 0.00 1.88 -3.12 0.00 0.00 179.24 179.06 2jqo h TYR 42 N 0.90 0.00 0.00 4.55 0.05 -1.42 -1.93 116.97 119.12 2jqo h TYR 42 Ca 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 2jqo h TYR 42 Cb 0.45 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.18 2jqo h TYR 42 CO 0.03 0.00 -0.98 -0.91 -1.05 0.00 0.00 178.16 175.25 2jqo h ASN 43 N 0.00 0.00 -4.16 3.88 -0.26 -0.91 -3.47 115.58 110.67 2jqo h ASN 43 Ca 0.00 0.00 -0.49 0.00 -0.56 0.00 0.00 56.30 55.25 2jqo h ASN 43 Cb 0.28 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 37.59 2jqo h ASN 43 CO 0.00 0.05 0.38 -0.76 -1.06 0.00 0.00 177.43 176.04 2jqo s LEU 44 N -5.45 3.60 0.83 1.61 1.43 -0.58 -5.05 118.68 115.07 2jqo s LEU 44 Ca -0.00 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 54.81 2jqo s LEU 44 Cb 0.09 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.86 2jqo s LEU 44 CO 0.79 -1.02 1.14 -0.94 0.23 0.00 0.00 176.35 176.55 2jqo s SER 45 N -2.58 4.28 0.25 2.29 1.04 -1.26 -4.78 113.70 112.94 2jqo s SER 45 Ca 0.64 0.95 -0.03 0.00 0.48 0.00 0.00 55.95 57.99 2jqo s SER 45 Cb -0.16 -1.54 0.45 0.00 0.10 0.00 0.00 66.02 64.88 2jqo s SER 45 CO 0.32 -2.06 1.78 -0.33 0.98 0.00 0.00 173.24 173.93 2jqo h GLU 46 N -1.16 0.67 -0.23 4.02 3.07 -1.96 0.29 114.58 119.28 2jqo h GLU 46 Ca -0.48 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.38 2jqo h GLU 46 Cb 1.31 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 29.04 2jqo h GLU 46 CO 0.64 0.45 0.00 0.78 -1.40 0.00 0.00 179.01 179.47 2jqo h GLY 47 N 0.69 0.22 0.97 -3.84 0.00 -1.97 0.20 103.07 99.34 2jqo h GLY 47 Ca 0.42 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.73 2jqo h GLY 47 CO -0.30 -0.04 0.15 1.46 0.00 0.00 0.00 176.54 177.80 2jqo h GLN 48 N 0.08 0.76 -0.20 4.80 1.08 -1.70 -1.58 115.11 118.34 2jqo h GLN 48 Ca 0.11 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2jqo h GLN 48 Cb 0.14 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2jqo h GLN 48 CO -0.18 0.72 0.06 1.25 -0.95 0.00 0.00 178.83 179.72 2jqo h LEU 49 N 0.65 0.30 -0.21 1.46 5.85 -0.61 0.11 115.31 122.87 2jqo h LEU 49 Ca 0.16 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2jqo h LEU 49 Cb 0.28 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2jqo h LEU 49 CO -0.00 0.44 0.00 0.23 -0.34 0.00 0.00 178.44 178.77 2jqo n MET 50 N -4.78 0.17 0.01 1.25 2.81 0.68 -0.80 117.12 116.45 2jqo n MET 50 Ca -0.04 0.24 -0.16 0.00 -1.81 0.00 0.00 57.70 55.94 2jqo n MET 50 Cb 0.16 -1.74 -0.14 0.00 -0.71 0.00 0.00 33.22 30.79 2jqo n MET 50 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 2jqo h ASN 51 N 0.00 0.26 -0.01 7.83 -1.24 -0.97 -3.11 115.58 118.34 2jqo h ASN 51 Ca 0.00 -0.52 -0.02 0.00 0.71 0.00 0.00 56.30 56.47 2jqo h ASN 51 Cb 0.53 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.50 2jqo h ASN 51 CO 0.00 1.46 -0.06 0.50 -1.29 0.00 0.00 177.43 178.04 2jqo h LYS 52 N 0.04 0.06 -1.70 6.67 3.64 -0.45 -3.23 116.57 121.61 2jqo h LYS 52 Ca -0.34 -0.05 -0.74 0.00 -1.27 0.00 0.00 60.65 58.25 2jqo h LYS 52 Cb 2.02 0.01 -0.28 0.00 -0.41 0.00 0.00 32.23 33.57 2jqo h LYS 52 CO 0.10 0.72 0.96 1.19 -2.27 0.00 0.00 179.45 180.15 2jqo n PHE 53 N -4.70 3.06 -1.67 1.91 3.72 0.02 -5.01 117.46 114.78 2jqo n PHE 53 Ca -0.09 -2.54 -0.43 0.00 -0.05 0.00 0.00 57.45 54.34 2jqo n PHE 53 Cb 0.36 -1.24 -0.03 0.00 -0.94 0.00 0.00 39.48 37.64 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 -0.65 2.75 -0.86 -1.08 4.81 -1.17 -1.38 118.16 120.58 2jqo n LYS 54 Ca 0.56 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 59.01 2jqo n LYS 54 Cb 0.37 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.48 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 7.04 -2.22 -0.91 3.14 3.02 -1.26 -4.74 115.26 119.33 2jqo n ASN 55 Ca 0.20 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.84 2jqo n ASN 55 Cb 0.38 -1.70 0.17 0.00 -0.61 0.00 0.00 39.78 38.03 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 -0.26 3.08 -4.18 6.41 3.02 -0.48 -4.92 115.26 117.93 2jqo n ASN 56 Ca 0.00 -1.89 -0.25 0.00 -0.03 0.00 0.00 54.58 52.40 2jqo n ASN 56 Cb 0.13 -0.21 -0.15 0.00 -0.61 0.00 0.00 39.78 38.93 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 -1.23 1.43 -0.10 2.41 2.07 -1.15 -3.31 121.20 121.33 2jqo s ILE 57 Ca 0.31 -0.79 0.03 0.00 -1.41 0.00 0.00 60.65 58.79 2jqo s ILE 57 Cb 0.18 -1.19 0.01 0.00 0.13 0.00 0.00 42.46 41.58 2jqo s ILE 57 CO 0.24 0.40 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.78 2jqo s VAL 58 N -0.44 1.79 -0.46 4.00 1.01 0.53 -4.23 120.40 122.61 2jqo s VAL 58 Ca 0.07 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 2jqo s VAL 58 Cb -0.07 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.78 2jqo s VAL 58 CO -0.01 0.50 0.56 -0.63 0.00 0.00 0.00 175.10 175.52 2jqo s ILE 59 N 0.52 4.95 0.18 2.22 1.01 -0.91 -1.02 121.20 128.15 2jqo s ILE 59 Ca -0.16 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 59.97 2jqo s ILE 59 Cb -0.17 -4.19 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 2jqo s ILE 59 CO 0.06 -0.63 0.60 0.68 0.00 0.00 0.00 174.94 175.65 2jqo s VAL 60 N 2.45 4.78 -0.35 2.92 -7.23 0.35 -2.26 120.40 121.06 2jqo s VAL 60 Ca 0.15 0.94 -0.21 0.00 -1.81 0.00 0.00 61.98 61.05 2jqo s VAL 60 Cb -0.18 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.00 2jqo s VAL 60 CO 0.13 0.21 0.66 -0.83 -0.31 0.00 0.00 175.10 174.96 2jqo s GLY 61 N -1.74 1.74 -0.20 2.32 0.00 0.53 -1.64 107.32 108.32 2jqo s GLY 61 Ca 0.40 -0.77 0.09 0.00 0.00 0.00 0.00 44.72 44.44 2jqo s GLY 61 CO 0.20 1.53 1.48 1.04 0.00 0.00 0.00 173.10 177.35 2jqo n LEU 62 N 6.07 4.77 0.29 0.66 4.77 -0.63 -2.13 117.00 130.80 2jqo n LEU 62 Ca -0.00 -2.44 0.14 0.00 -0.03 0.00 0.00 56.01 53.68 2jqo n LEU 62 Cb 0.49 -0.66 0.86 0.00 -2.33 0.00 0.00 43.42 41.78 2jqo n LEU 62 CO 0.49 0.59 1.10 0.77 -1.33 0.00 0.00 177.39 179.01 2jqo h SER 63 N 2.68 0.00 0.58 -1.43 4.64 -1.85 -0.90 113.55 117.27 2jqo h SER 63 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2jqo h SER 63 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 2jqo h SER 63 CO 0.44 0.02 -0.35 -0.62 -0.87 0.00 0.00 176.83 175.45 2jqo n GLU 64 N -3.91 0.10 -3.85 4.77 -0.58 -1.26 -4.67 120.64 111.25 2jqo n GLU 64 Ca -0.03 -0.05 -0.30 0.00 -0.42 0.00 0.00 57.16 56.36 2jqo n GLU 64 Cb 0.10 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.32 2jqo n GLU 64 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2jqo s ILE 65 N -2.93 1.26 -0.89 -3.67 1.01 -0.34 -4.98 121.20 110.66 2jqo s ILE 65 Ca 0.14 -1.32 0.27 0.00 0.00 0.00 0.00 60.65 59.74 2jqo s ILE 65 Cb 0.18 -1.75 0.22 0.00 0.01 0.00 0.00 42.46 41.12 2jqo s ILE 65 CO 0.63 -0.36 1.78 -0.90 0.00 0.00 0.00 174.94 176.10 2jqo n ASP 66 N 4.73 0.36 -3.99 3.58 5.75 -1.26 -4.26 116.55 121.46 2jqo n ASP 66 Ca -0.06 0.42 -0.32 0.00 -0.01 0.00 0.00 54.79 54.82 2jqo n ASP 66 Cb 0.44 -0.47 -0.10 0.00 -1.03 0.00 0.00 41.12 39.96 2jqo n ASP 66 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2jqo s ASN 67 N -3.57 5.23 -0.14 -1.12 3.84 -1.26 -4.75 114.94 113.18 2jqo s ASN 67 Ca 0.12 -3.65 0.15 0.00 0.21 0.00 0.00 52.86 49.69 2jqo s ASN 67 Cb 0.16 -1.75 0.47 0.00 -0.55 0.00 0.00 41.25 39.58 2jqo s ASN 67 CO 0.58 -0.16 1.38 0.35 -2.79 0.00 0.00 177.10 176.47 2jqo n THR 68 N 2.33 1.99 0.26 -5.21 -2.24 -1.26 -4.67 114.28 105.48 2jqo n THR 68 Ca 0.18 -1.68 0.10 0.00 -2.27 0.00 0.00 64.05 60.38 2jqo n THR 68 Cb 0.36 -0.08 0.68 0.00 -2.10 0.00 0.00 70.33 69.18 2jqo n THR 68 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2jqo h ASP 69 N 1.82 0.00 1.22 3.42 3.58 -1.92 -1.02 116.42 123.51 2jqo h ASP 69 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2jqo h ASP 69 Cb 1.28 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 2jqo h ASP 69 CO 0.17 0.11 -0.26 -0.78 -2.88 0.00 0.00 179.24 175.60 2jqo h ASP 70 N 0.00 0.00 -3.03 2.28 3.58 -2.01 -3.44 116.42 113.80 2jqo h ASP 70 Ca -0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 2jqo h ASP 70 Cb 0.22 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.32 2jqo h ASP 70 CO 0.01 0.26 0.82 -0.22 -2.88 0.00 0.00 179.24 177.23 2jqo s LEU 71 N -6.59 4.37 0.45 2.28 2.96 -0.39 -5.01 118.68 116.75 2jqo s LEU 71 Ca 0.02 2.60 0.05 0.00 -0.22 0.00 0.00 54.13 56.59 2jqo s LEU 71 Cb 0.09 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 2jqo s LEU 71 CO 0.66 -0.76 0.08 -0.54 -1.32 0.00 0.00 176.35 174.47 2jqo s LYS 72 N 0.62 2.11 -0.11 1.98 1.02 -1.26 -5.09 119.74 119.02 2jqo s LYS 72 Ca 0.66 -2.11 -0.10 0.00 0.02 0.00 0.00 55.97 54.43 2jqo s LYS 72 Cb -0.42 -1.73 -0.05 0.00 -0.52 0.00 0.00 37.83 35.11 2jqo s LYS 72 CO 0.35 -0.19 0.22 1.03 -0.92 0.00 0.00 175.35 175.84 2jqo s ARG 73 N -3.84 3.74 0.00 1.68 0.52 -1.26 -4.26 118.95 115.52 2jqo s ARG 73 Ca 0.29 0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.51 2jqo s ARG 73 Cb 0.05 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.27 2jqo s ARG 73 CO 0.15 0.63 0.00 0.41 0.02 0.00 0.00 175.30 176.52 2jqo n GLY 74 N 2.30 1.06 1.19 -3.53 0.00 0.26 -5.00 105.19 101.48 2jqo n GLY 74 Ca -0.17 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 2jqo n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqo n GLU 75 N -1.86 1.49 -3.70 1.61 -0.58 -1.01 -4.93 120.64 111.67 2jqo n GLU 75 Ca 0.00 -1.17 -0.17 0.00 -0.42 0.00 0.00 57.16 55.40 2jqo n GLU 75 Cb 0.05 0.26 -0.16 0.00 -0.57 0.00 0.00 31.44 31.02 2jqo n GLU 75 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2jqo s LYS 76 N -2.63 -0.00 0.28 3.49 2.20 -1.26 -0.22 119.74 121.59 2jqo s LYS 76 Ca 0.03 0.42 0.03 0.00 -0.36 0.00 0.00 55.97 56.08 2jqo s LYS 76 Cb -0.00 -0.33 -0.06 0.00 -1.51 0.00 0.00 37.83 35.93 2jqo s LYS 76 CO 0.02 -0.27 0.06 0.96 -0.36 0.00 0.00 175.35 175.75 2jqo s ILE 77 N 1.88 0.94 -0.22 5.43 -4.36 -0.14 -2.21 121.20 122.52 2jqo s ILE 77 Ca -0.00 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.37 2jqo s ILE 77 Cb -0.12 -2.63 0.02 0.00 1.25 0.00 0.00 42.46 40.97 2jqo s ILE 77 CO -0.04 -0.08 -0.11 -0.75 0.24 0.00 0.00 174.94 174.19 2jqo s LYS 78 N -3.93 2.99 0.05 0.37 2.20 0.49 -1.18 119.74 120.73 2jqo s LYS 78 Ca 0.35 -0.86 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 2jqo s LYS 78 Cb 0.08 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 2jqo s LYS 78 CO 0.13 -0.29 0.10 0.14 -0.36 0.00 0.00 175.35 175.07 2jqo s VAL 79 N 1.34 4.72 -0.17 4.02 -7.23 -0.41 0.16 120.40 122.82 2jqo s VAL 79 Ca 0.03 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 2jqo s VAL 79 Cb -0.15 -3.25 0.03 0.00 0.56 0.00 0.00 36.38 33.58 2jqo s VAL 79 CO -0.07 0.19 -0.10 0.26 -0.31 0.00 0.00 175.10 175.07 2jqo s TRP 80 N -1.35 2.13 0.31 2.82 0.51 -0.45 -2.25 118.94 120.66 2jqo s TRP 80 Ca 0.28 -1.32 0.05 0.00 -2.12 0.00 0.00 56.10 53.00 2jqo s TRP 80 Cb -0.12 -1.53 -0.06 0.00 -0.81 0.00 0.00 33.47 30.94 2jqo s TRP 80 CO 0.21 -0.68 -0.00 -0.59 -0.51 0.00 0.00 176.95 175.38 2jqo s PHE 81 N 1.49 2.02 -0.02 -1.98 -0.12 -1.00 -1.29 117.98 117.09 2jqo s PHE 81 Ca 0.01 -0.81 0.24 0.00 -0.05 0.00 0.00 56.93 56.32 2jqo s PHE 81 Cb -0.15 -1.27 0.42 0.00 -0.63 0.00 0.00 43.02 41.39 2jqo s PHE 81 CO -0.09 0.18 1.17 0.72 -0.05 0.00 0.00 175.22 177.16 2jqo n HIS 82 N -0.67 0.00 -3.61 3.49 8.25 -1.24 -1.36 115.22 120.07 2jqo n HIS 82 Ca -0.04 -0.60 -0.07 0.00 -0.26 0.00 0.00 57.72 56.75 2jqo n HIS 82 Cb 0.65 -0.16 -0.05 0.00 1.12 0.00 0.00 29.99 31.55 2jqo n HIS 82 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2jqo s THR 83 N -0.37 0.00 -0.13 1.59 -1.32 -1.26 -3.38 115.64 110.77 2jqo s THR 83 Ca 0.33 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.70 2jqo s THR 83 Cb 0.38 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.40 2jqo s THR 83 CO -0.15 0.00 0.34 -0.60 -2.21 0.00 0.00 174.62 172.00 2jqo s ARG 84 N -0.86 0.39 -0.03 7.08 3.52 -1.25 -3.13 118.95 124.67 2jqo s ARG 84 Ca 0.02 0.49 0.04 0.00 -0.13 0.00 0.00 55.73 56.15 2jqo s ARG 84 Cb -0.01 0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 2jqo s ARG 84 CO -0.03 -0.05 -0.13 0.15 -0.81 0.00 0.00 175.30 174.43 2jqo s LYS 85 N 0.25 2.47 -0.17 5.12 1.02 0.75 -4.46 119.74 124.72 2jqo s LYS 85 Ca -0.01 -0.73 -0.04 0.00 0.02 0.00 0.00 55.97 55.21 2jqo s LYS 85 Cb -0.03 -2.39 -0.08 0.00 -0.52 0.00 0.00 37.83 34.81 2jqo s LYS 85 CO -0.00 0.61 2.97 0.39 -0.92 0.00 0.00 175.35 178.39 2jqo n GLU 86 N 2.03 1.96 -0.15 1.68 1.02 -1.26 -2.28 120.64 123.63 2jqo n GLU 86 Ca -0.17 -1.32 -0.05 0.00 -0.02 0.00 0.00 57.16 55.60 2jqo n GLU 86 Cb 0.52 -1.86 0.13 0.00 -0.02 0.00 0.00 31.44 30.22 2jqo n GLU 86 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jqo h SER 87 N 2.55 0.85 -5.35 1.62 4.64 -1.91 -3.48 113.55 112.47 2jqo h SER 87 Ca 0.23 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2jqo h SER 87 Cb 1.14 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.96 2jqo h SER 87 CO 0.45 0.88 -1.11 0.59 -0.87 0.00 0.00 176.83 176.77 2jqo n ASN 88 N -4.23 -5.41 -4.75 4.97 3.02 -1.26 -4.79 115.26 102.81 2jqo n ASN 88 Ca 0.03 1.24 -0.41 0.00 -0.03 0.00 0.00 54.58 55.41 2jqo n ASN 88 Cb 0.28 -4.51 -0.02 0.00 -0.61 0.00 0.00 39.78 34.93 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2jqo s PRO 89 N -1.11 4.13 0.41 3.52 0.02 -1.26 -5.05 135.00 135.66 2jqo s PRO 89 Ca -0.09 2.55 -0.27 0.00 0.02 0.00 0.00 61.00 63.22 2jqo s PRO 89 Cb 0.01 -3.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.40 2jqo s PRO 89 CO 0.62 -0.61 1.44 -2.30 -0.33 0.00 0.00 177.00 175.82 2jqo n PRO 90 N 2.10 2.41 -4.31 5.54 -0.02 -1.26 -4.75 135.00 134.71 2jqo n PRO 90 Ca 0.08 0.85 -0.29 0.00 -2.02 0.00 0.00 63.50 62.12 2jqo n PRO 90 Cb 0.38 -2.62 -0.11 0.00 -0.02 0.00 0.00 33.50 31.13 2jqo n PRO 90 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2jqo s SER 91 N -0.32 3.92 -0.12 2.55 1.04 -0.97 -2.15 113.70 117.65 2jqo s SER 91 Ca 0.58 -0.59 -0.04 0.00 0.48 0.00 0.00 55.95 56.38 2jqo s SER 91 Cb -0.47 -0.55 0.06 0.00 0.10 0.00 0.00 66.02 65.16 2jqo s SER 91 CO 0.60 0.16 0.22 0.00 0.98 0.00 0.00 173.24 175.20 2jqo s ALA 92 N -1.28 -0.37 -0.44 5.32 0.00 -0.96 -0.18 121.76 123.85 2jqo s ALA 92 Ca 0.19 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 2jqo s ALA 92 Cb -0.10 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.08 2jqo s ALA 92 CO 0.11 -0.66 1.21 0.99 0.00 0.00 0.00 175.76 177.41 2jqo s THR 93 N 2.36 4.14 0.02 0.00 2.01 -1.18 -0.34 115.64 122.65 2jqo s THR 93 Ca 0.02 1.19 -0.09 0.00 0.31 0.00 0.00 61.69 63.12 2jqo s THR 93 Cb -0.12 -4.47 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 2jqo s THR 93 CO -0.08 -0.89 0.32 0.27 -0.69 0.00 0.00 174.62 173.55 2jqo s ILE 94 N 4.65 5.22 -0.10 1.82 -4.36 -0.91 -3.70 121.20 123.83 2jqo s ILE 94 Ca 0.52 0.35 0.15 0.00 -0.26 0.00 0.00 60.65 61.41 2jqo s ILE 94 Cb -0.09 -3.60 -0.22 0.00 1.25 0.00 0.00 42.46 39.80 2jqo s ILE 94 CO 0.31 0.39 0.53 0.00 0.24 0.00 0.00 174.94 176.41 2jqo n GLN 95 N 1.22 0.65 -3.73 0.37 6.02 -0.41 -4.37 117.38 117.13 2jqo n GLN 95 Ca -0.11 0.19 -0.10 0.00 -0.01 0.00 0.00 57.00 56.96 2jqo n GLN 95 Cb 0.53 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 2jqo n GLN 95 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jqo s LYS 96 N -2.67 0.96 -0.03 -1.09 1.02 -1.21 -4.72 119.74 112.01 2jqo s LYS 96 Ca -0.06 -0.78 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 2jqo s LYS 96 Cb 0.08 0.41 0.02 0.00 -0.52 0.00 0.00 37.83 37.82 2jqo s LYS 96 CO 0.83 -0.35 0.25 1.52 -0.92 0.00 0.00 175.35 176.68 2jqo s TYR 97 N -3.72 -0.14 -0.07 3.18 1.13 -1.26 -1.35 117.35 115.11 2jqo s TYR 97 Ca 0.03 0.26 0.03 0.00 -1.41 0.00 0.00 57.07 55.97 2jqo s TYR 97 Cb 0.03 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.92 2jqo s TYR 97 CO -0.11 -0.30 -0.14 -2.00 -2.51 0.00 0.00 175.55 170.48 2jqo s GLU 98 N -1.00 2.76 -0.22 -3.49 2.12 0.12 -4.94 118.70 114.05 2jqo s GLU 98 Ca -0.11 -0.70 -0.27 0.00 0.36 0.00 0.00 54.97 54.25 2jqo s GLU 98 Cb -0.05 -2.44 0.00 0.00 0.26 0.00 0.00 34.13 31.90 2jqo s GLU 98 CO 0.03 0.49 0.94 -1.17 -0.54 0.00 0.00 175.26 175.01 2jqo s LEU 99 N -0.39 4.11 -0.28 2.70 2.96 -1.26 -0.38 118.68 126.14 2jqo s LEU 99 Ca 0.04 1.24 -0.21 0.00 -0.22 0.00 0.00 54.13 54.99 2jqo s LEU 99 Cb -0.12 -3.38 -0.01 0.00 0.50 0.00 0.00 46.19 43.18 2jqo s LEU 99 CO 0.02 -0.57 0.65 -0.76 -1.32 0.00 0.00 176.35 174.37 2jqo s LEU 100 N 2.86 4.10 -1.16 -0.68 1.43 -0.94 -4.95 118.68 119.34 2jqo s LEU 100 Ca 0.40 0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 53.88 2jqo s LEU 100 Cb -0.16 -2.86 0.08 0.00 0.03 0.00 0.00 46.19 43.28 2jqo s LEU 100 CO 0.08 -0.45 1.56 -0.76 0.23 0.00 0.00 176.35 177.01 2jqo s LEU 101 N 2.60 3.95 -0.40 1.79 1.43 -1.26 -4.70 118.68 122.10 2jqo s LEU 101 Ca 0.26 -2.14 -0.28 0.00 -1.03 0.00 0.00 54.13 50.94 2jqo s LEU 101 Cb -0.15 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 2jqo s LEU 101 CO 0.10 -1.23 1.68 -1.61 0.23 0.00 0.00 176.35 175.53 2jqo s GLU 102 N 4.07 3.31 0.14 1.70 0.41 -1.26 -4.84 118.70 122.23 2jqo s GLU 102 Ca 0.48 1.15 -0.01 0.00 -0.41 0.00 0.00 54.97 56.18 2jqo s GLU 102 Cb 0.01 -4.17 -0.06 0.00 -1.78 0.00 0.00 34.13 28.13 2jqo s GLU 102 CO -0.00 -1.89 1.33 0.45 -0.49 0.00 0.00 175.26 174.66 2jqo h HIS 103 N 12.46 0.43 -2.82 1.61 3.86 -2.05 -3.43 115.15 125.21 2jqo h HIS 103 Ca -0.31 -0.24 -0.43 0.00 -1.16 0.00 0.00 60.37 58.23 2jqo h HIS 103 Cb 1.15 -0.05 -0.39 0.00 1.06 0.00 0.00 27.41 29.18 2jqo h HIS 103 CO 0.97 1.07 -0.72 -1.58 0.86 0.00 0.00 177.93 178.53 2jqo s HIS 104 N -3.20 0.06 -0.07 2.45 5.65 -1.26 -5.10 115.29 113.81 2jqo s HIS 104 Ca -0.04 -0.27 -0.29 0.00 0.25 0.00 0.00 55.06 54.71 2jqo s HIS 104 Cb 0.09 -0.63 -0.06 0.00 -1.18 0.00 0.00 32.58 30.80 2jqo s HIS 104 CO 0.85 -0.61 1.88 -1.01 -0.65 0.00 0.00 174.74 175.20 2jqo s HIS 105 N 2.19 1.55 -0.71 3.88 0.09 -1.26 -4.90 115.29 116.13 2jqo s HIS 105 Ca 0.05 0.03 -0.27 0.00 -0.00 0.00 0.00 55.06 54.87 2jqo s HIS 105 Cb -0.16 -4.07 0.02 0.00 -0.00 0.00 0.00 32.58 28.37 2jqo s HIS 105 CO -0.16 -4.48 1.33 -1.01 -0.00 0.00 0.00 174.74 170.42 2jqo s HIS 106 N 5.19 2.25 -0.04 1.40 3.76 -1.26 -4.98 115.29 121.60 2jqo s HIS 106 Ca 0.84 0.08 -0.29 0.00 -0.15 0.00 0.00 55.06 55.54 2jqo s HIS 106 Cb -0.36 -4.56 -0.02 0.00 1.11 0.00 0.00 32.58 28.74 2jqo s HIS 106 CO 0.36 -2.06 0.96 -1.58 -0.85 0.00 0.00 174.74 171.56 2jqo s HIS 107 N 6.00 3.60 -0.03 1.40 2.46 -1.26 -5.07 115.29 122.40 2jqo s HIS 107 Ca 0.39 1.61 0.00 0.00 0.47 0.00 0.00 55.06 57.54 2jqo s HIS 107 Cb -0.08 -3.11 0.00 0.00 -0.13 0.00 0.00 32.58 29.26 2jqo s HIS 107 CO 0.17 -0.07 0.51 0.72 -2.47 0.00 0.00 174.74 173.59