#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 0.71 -0.82 6.12 5.15 -1.26 -4.75 115.26 120.40 2jqo n ASN 2 Ca 0.00 -0.08 0.08 0.00 -0.60 0.00 0.00 54.58 53.98 2jqo n ASN 2 Cb 0.00 0.30 0.23 0.00 -0.53 0.00 0.00 39.78 39.78 2jqo n ASN 2 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2jqo n LYS 3 N -0.37 2.04 -3.02 1.20 5.02 -1.26 -4.95 118.16 116.83 2jqo n LYS 3 Ca 0.00 -1.61 -0.08 0.00 -2.02 0.00 0.00 58.31 54.60 2jqo n LYS 3 Cb 0.00 -1.38 0.01 0.00 -0.02 0.00 0.00 35.03 33.64 2jqo n LYS 3 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jqo n ASN 4 N 0.81 -7.60 -0.05 4.39 3.02 -1.26 -4.99 115.26 109.58 2jqo n ASN 4 Ca 0.16 0.20 -0.21 0.00 -0.03 0.00 0.00 54.58 54.70 2jqo n ASN 4 Cb 0.40 -4.96 -0.13 0.00 -0.61 0.00 0.00 39.78 34.48 2jqo n ASN 4 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2jqo h GLU 5 N 1.33 0.11 -5.89 3.52 3.07 -1.94 -3.44 114.58 111.34 2jqo h GLU 5 Ca -0.07 -0.19 -0.62 0.00 -0.50 0.00 0.00 59.36 57.99 2jqo h GLU 5 Cb 1.05 0.07 -0.12 0.00 -0.84 0.00 0.00 28.75 28.91 2jqo h GLU 5 CO 0.25 1.09 0.43 -1.14 -1.40 0.00 0.00 179.01 178.23 2jqo s GLN 6 N -2.40 3.52 0.27 2.33 0.74 -1.26 -5.01 119.66 117.85 2jqo s GLN 6 Ca -0.24 0.07 0.02 0.00 0.05 0.00 0.00 55.36 55.26 2jqo s GLN 6 Cb 0.04 -3.91 -0.04 0.00 1.10 0.00 0.00 33.01 30.21 2jqo s GLN 6 CO 0.68 -1.09 0.16 -0.80 -0.55 0.00 0.00 175.29 173.69 2jqo s ASN 7 N 2.10 1.07 0.00 6.67 -0.87 -1.26 -4.88 114.94 117.77 2jqo s ASN 7 Ca 0.32 -1.51 0.00 0.00 -1.57 0.00 0.00 52.86 50.10 2jqo s ASN 7 Cb -0.12 0.38 0.00 0.00 -0.02 0.00 0.00 41.25 41.49 2jqo s ASN 7 CO 0.22 -0.88 0.00 0.61 -2.57 0.00 0.00 177.10 174.49 2jqo n GLY 8 N -0.47 0.68 2.84 0.66 0.00 -1.26 -5.06 105.19 102.58 2jqo n GLY 8 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.50 3.36 0.00 1.61 -1.08 -1.26 -4.95 116.67 111.84 2jqo s ASP 9 Ca 0.00 -0.98 0.00 0.00 -0.52 0.00 0.00 52.55 51.05 2jqo s ASP 9 Cb 0.00 -0.89 0.00 0.00 -1.46 0.00 0.00 42.92 40.57 2jqo s ASP 9 CO 0.00 -0.27 0.00 1.21 0.52 0.00 0.00 175.17 176.63 2jqo n GLU 10 N 4.86 0.00 -1.80 4.34 2.13 -1.26 -4.97 120.64 123.94 2jqo n GLU 10 Ca -0.10 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.39 2jqo n GLU 10 Cb 0.46 -0.76 -0.04 0.00 0.27 0.00 0.00 31.44 31.37 2jqo n GLU 10 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2jqo s THR 11 N -1.72 3.20 -0.32 6.31 2.01 -1.26 -4.91 115.64 118.95 2jqo s THR 11 Ca 0.00 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 2jqo s THR 11 Cb 0.00 -3.49 0.07 0.00 0.01 0.00 0.00 72.50 69.08 2jqo s THR 11 CO 0.00 -0.47 0.03 -0.54 -0.69 0.00 0.00 174.62 172.94 2jqo s LYS 12 N 7.74 2.24 0.73 4.92 1.02 -1.26 -5.10 119.74 130.02 2jqo s LYS 12 Ca 0.82 -1.43 -0.06 0.00 0.02 0.00 0.00 55.97 55.31 2jqo s LYS 12 Cb -0.13 -3.22 0.08 0.00 -0.52 0.00 0.00 37.83 34.04 2jqo s LYS 12 CO 0.17 -0.73 1.03 -1.64 -0.92 0.00 0.00 175.35 173.27 2jqo s MET 13 N 1.18 1.96 -0.35 1.68 -1.94 -1.26 -5.02 119.30 115.56 2jqo s MET 13 Ca -0.02 -0.43 -0.26 0.00 -1.71 0.00 0.00 55.69 53.28 2jqo s MET 13 Cb -0.20 -2.18 0.01 0.00 2.01 0.00 0.00 34.83 34.47 2jqo s MET 13 CO -0.03 -1.37 0.93 -0.65 -0.01 0.00 0.00 175.02 173.89 2jqo s GLN 14 N -5.27 3.90 -0.17 2.03 -1.52 -0.91 -4.91 119.66 112.81 2jqo s GLN 14 Ca 0.62 0.67 -0.13 0.00 -1.95 0.00 0.00 55.36 54.57 2jqo s GLN 14 Cb -0.09 -3.78 -0.05 0.00 -0.22 0.00 0.00 33.01 28.87 2jqo s GLN 14 CO 0.45 -0.89 0.26 0.45 -0.25 0.00 0.00 175.29 175.31 2jqo s SER 15 N 1.79 6.39 -0.04 5.90 0.15 -1.26 -1.54 113.70 125.09 2jqo s SER 15 Ca 0.38 0.45 -0.03 0.00 0.70 0.00 0.00 55.95 57.45 2jqo s SER 15 Cb -0.12 -2.16 0.02 0.00 -1.71 0.00 0.00 66.02 62.04 2jqo s SER 15 CO 0.17 0.11 0.11 -0.22 1.20 0.00 0.00 173.24 174.61 2jqo s LEU 16 N 0.47 1.38 -0.10 3.45 1.98 -0.21 -4.98 118.68 120.68 2jqo s LEU 16 Ca 0.15 0.22 -0.10 0.00 -2.89 0.00 0.00 54.13 51.51 2jqo s LEU 16 Cb -0.13 0.34 -0.05 0.00 0.66 0.00 0.00 46.19 47.02 2jqo s LEU 16 CO 0.03 -0.07 0.23 -0.69 -1.89 0.00 0.00 176.35 173.96 2jqo s VAL 17 N 0.35 5.34 0.04 1.68 1.01 -1.26 -0.02 120.40 127.54 2jqo s VAL 17 Ca -0.02 0.42 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 2jqo s VAL 17 Cb -0.04 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.84 2jqo s VAL 17 CO -0.01 0.56 0.26 -0.83 0.00 0.00 0.00 175.10 175.08 2jqo s GLY 18 N -0.72 -0.06 -0.13 4.51 0.00 0.28 -4.52 107.32 106.68 2jqo s GLY 18 Ca 0.17 -0.09 -0.21 0.00 0.00 0.00 0.00 44.72 44.59 2jqo s GLY 18 CO 0.06 -0.29 0.63 -0.19 0.00 0.00 0.00 173.10 173.31 2jqo s TYR 19 N -2.47 3.48 -0.66 1.90 2.02 0.13 -1.09 117.35 120.66 2jqo s TYR 19 Ca -0.06 1.04 -0.26 0.00 -0.37 0.00 0.00 57.07 57.43 2jqo s TYR 19 Cb -0.01 -2.75 0.04 0.00 -0.40 0.00 0.00 41.96 38.83 2jqo s TYR 19 CO -0.03 -0.01 1.13 0.08 -1.57 0.00 0.00 175.55 175.15 2jqo s VAL 20 N 1.26 4.03 0.00 0.71 1.01 0.85 -2.55 120.40 125.71 2jqo s VAL 20 Ca 0.31 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2jqo s VAL 20 Cb -0.16 -4.77 0.00 0.00 0.00 0.00 0.00 36.38 31.45 2jqo s VAL 20 CO 0.13 -1.55 0.00 0.55 0.00 0.00 0.00 175.10 174.23 2jqo n VAL 21 N 6.29 0.00 -5.10 2.92 3.14 -1.25 0.45 118.33 124.77 2jqo n VAL 21 Ca 0.02 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.12 2jqo n VAL 21 Cb 0.48 -1.42 -0.16 0.00 -1.06 0.00 0.00 33.84 31.68 2jqo n VAL 21 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2jqo s LEU 22 N -5.91 2.03 0.19 6.55 2.96 -1.01 -4.71 118.68 118.79 2jqo s LEU 22 Ca 0.00 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2jqo s LEU 22 Cb 0.00 -1.17 -0.05 0.00 0.50 0.00 0.00 46.19 45.47 2jqo s LEU 22 CO 0.00 0.26 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.69 2jqo s LYS 23 N -0.41 1.22 0.00 1.98 1.02 -1.26 -0.28 119.74 122.02 2jqo s LYS 23 Ca 0.05 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.47 2jqo s LYS 23 Cb -0.10 -0.65 0.00 0.00 -0.52 0.00 0.00 37.83 36.56 2jqo s LYS 23 CO 0.00 -0.01 0.00 -3.47 -0.92 0.00 0.00 175.35 170.95 2jqo n ASP 24 N -0.32 0.01 0.00 2.83 2.03 -0.88 -4.91 116.55 115.32 2jqo n ASP 24 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2jqo n ASP 24 Cb 0.62 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 2jqo n ASP 24 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2jqo n ASN 25 N -2.51 0.00 0.03 1.67 5.15 -1.26 -4.94 115.26 113.40 2jqo n ASN 25 Ca 0.00 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.09 2jqo n ASN 25 Cb 0.00 0.17 0.01 0.00 -0.53 0.00 0.00 39.78 39.43 2jqo n ASN 25 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jqo n GLU 26 N -1.49 0.34 -4.96 1.20 1.02 -1.26 -4.85 120.64 110.64 2jqo n GLU 26 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2jqo n GLU 26 Cb 0.00 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 29.67 2jqo n GLU 26 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2jqo s ARG 27 N -3.23 2.26 0.07 3.49 1.70 -1.26 0.02 118.95 122.00 2jqo s ARG 27 Ca 0.03 -0.84 0.09 0.00 -0.47 0.00 0.00 55.73 54.53 2jqo s ARG 27 Cb 0.14 -2.22 -0.03 0.00 -0.57 0.00 0.00 34.95 32.27 2jqo s ARG 27 CO 0.80 0.58 -0.25 0.00 -1.08 0.00 0.00 175.30 175.36 2jqo s ALA 28 N -0.75 2.13 -0.38 7.88 0.00 -0.26 -2.06 121.76 128.33 2jqo s ALA 28 Ca 0.12 -1.26 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 2jqo s ALA 28 Cb -0.10 -0.41 0.05 0.00 0.00 0.00 0.00 23.12 22.66 2jqo s ALA 28 CO 0.01 0.49 0.18 0.42 0.00 0.00 0.00 175.76 176.87 2jqo s ILE 29 N -0.88 4.13 0.11 0.00 1.01 0.62 -0.73 121.20 125.47 2jqo s ILE 29 Ca 0.11 -1.16 0.09 0.00 0.00 0.00 0.00 60.65 59.68 2jqo s ILE 29 Cb -0.10 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2jqo s ILE 29 CO 0.03 -0.31 -0.18 -0.76 0.00 0.00 0.00 174.94 173.72 2jqo s LEU 30 N 1.44 2.72 -0.22 2.97 1.43 -0.13 -2.40 118.68 124.50 2jqo s LEU 30 Ca 0.01 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 2jqo s LEU 30 Cb -0.21 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2jqo s LEU 30 CO 0.03 0.18 -0.00 -0.63 0.23 0.00 0.00 176.35 176.17 2jqo s ILE 31 N -1.14 3.82 -2.17 -0.59 1.01 -1.06 -0.69 121.20 120.38 2jqo s ILE 31 Ca 0.18 -0.35 0.19 0.00 0.00 0.00 0.00 60.65 60.67 2jqo s ILE 31 Cb -0.11 -2.74 0.45 0.00 0.01 0.00 0.00 42.46 40.08 2jqo s ILE 31 CO 0.10 0.41 1.43 0.35 0.00 0.00 0.00 174.94 177.23 2jqo n THR 32 N 4.58 0.54 -2.45 2.92 -2.24 -1.09 0.17 114.28 116.70 2jqo n THR 32 Ca -0.17 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2jqo n THR 32 Cb 0.51 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 2jqo n THR 32 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jqo n ASP 33 N 0.97 0.00 0.00 3.42 2.03 -1.26 -4.79 116.55 116.92 2jqo n ASP 33 Ca 0.18 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2jqo n ASP 33 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 2jqo n ASP 33 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2jqo n THR 34 N 0.00 0.00 -3.71 5.18 -1.04 -1.26 -4.19 114.28 109.26 2jqo n THR 34 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 2jqo n THR 34 Cb 0.00 -0.45 0.06 0.00 -1.82 0.00 0.00 70.33 68.12 2jqo n THR 34 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2jqo n LYS 35 N -2.31 -6.56 -0.87 -2.82 4.81 -1.26 -4.50 118.16 104.65 2jqo n LYS 35 Ca 0.00 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 2jqo n LYS 35 Cb 0.14 -5.65 0.00 0.00 0.02 0.00 0.00 35.03 29.53 2jqo n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jqo n ALA 36 N -4.70 -2.18 -1.70 3.14 0.00 -1.26 -4.91 120.51 108.90 2jqo n ALA 36 Ca -0.05 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 2jqo n ALA 36 Cb 0.58 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 2jqo n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jqo n PRO 37 N -0.41 2.23 -0.31 0.00 -0.02 -1.26 -5.00 135.00 130.22 2jqo n PRO 37 Ca 0.00 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2jqo n PRO 37 Cb 0.00 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 2jqo n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jqo n GLY 38 N 1.68 1.73 0.44 -1.23 0.00 -1.26 -4.87 105.19 101.67 2jqo n GLY 38 Ca 0.08 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.69 0.00 1.61 3.64 -2.00 -2.16 116.57 116.97 2jqo h LYS 39 Ca 0.00 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2jqo h LYS 39 Cb 0.00 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2jqo h LYS 39 CO 0.00 -0.46 -0.30 0.93 -2.27 0.00 0.00 179.45 177.34 2jqo h GLU 40 N -0.72 0.00 -0.03 1.90 3.07 -1.98 -2.82 114.58 114.00 2jqo h GLU 40 Ca 0.01 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 2jqo h GLU 40 Cb 0.72 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2jqo h GLU 40 CO -0.23 0.30 -0.38 -0.44 -1.40 0.00 0.00 179.01 176.87 2jqo h ASP 41 N 0.00 0.06 0.14 1.42 3.32 -1.76 0.11 116.42 119.70 2jqo h ASP 41 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2jqo h ASP 41 Cb 0.65 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2jqo h ASP 41 CO 0.04 0.43 -0.03 -1.22 -1.72 0.00 0.00 179.24 176.74 2jqo n TYR 42 N -4.08 0.00 0.42 4.55 4.01 -0.97 -3.44 117.16 117.66 2jqo n TYR 42 Ca -0.02 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.77 2jqo n TYR 42 Cb 0.42 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.32 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 -0.75 0.68 -4.81 7.72 3.02 0.17 -5.01 115.26 116.28 2jqo n ASN 43 Ca 0.19 -0.66 -0.34 0.00 -0.03 0.00 0.00 54.58 53.74 2jqo n ASN 43 Cb 0.22 1.05 -0.07 0.00 -0.61 0.00 0.00 39.78 40.37 2jqo n ASN 43 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jqo s LEU 44 N -2.59 3.99 0.00 3.41 1.43 -0.07 -5.08 118.68 119.77 2jqo s LEU 44 Ca 0.03 1.73 -0.05 0.00 -1.03 0.00 0.00 54.13 54.82 2jqo s LEU 44 Cb 0.07 -4.46 0.15 0.00 0.03 0.00 0.00 46.19 41.99 2jqo s LEU 44 CO 0.41 -0.35 1.01 -1.20 0.23 0.00 0.00 176.35 176.45 2jqo n SER 45 N -0.48 0.90 0.28 2.29 7.64 -1.26 -4.80 113.62 118.19 2jqo n SER 45 Ca 0.06 -1.87 -0.17 0.00 1.01 0.00 0.00 58.87 57.91 2jqo n SER 45 Cb 0.53 -0.69 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 2jqo n SER 45 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2jqo h GLU 46 N 0.00 -0.92 -0.38 1.43 4.81 -1.98 0.28 114.58 117.82 2jqo h GLU 46 Ca -0.33 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2jqo h GLU 46 Cb 1.11 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 2jqo h GLU 46 CO 0.31 -0.61 0.19 0.78 -0.73 0.00 0.00 179.01 178.95 2jqo h GLY 47 N -0.95 0.55 1.39 1.92 0.00 -1.98 -0.25 103.07 103.74 2jqo h GLY 47 Ca -0.06 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 46.86 2jqo h GLY 47 CO -0.05 0.22 -0.57 1.46 0.00 0.00 0.00 176.54 177.61 2jqo h GLN 48 N 0.52 0.64 -0.50 4.80 4.20 -1.86 -0.70 115.11 122.22 2jqo h GLN 48 Ca 0.13 -0.42 -0.06 0.00 0.06 0.00 0.00 58.65 58.37 2jqo h GLN 48 Cb 0.04 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2jqo h GLN 48 CO -0.02 1.03 0.10 1.25 -0.67 0.00 0.00 178.83 180.52 2jqo h LEU 49 N 0.49 0.78 -1.74 1.46 5.85 0.39 -1.95 115.31 120.59 2jqo h LEU 49 Ca 0.00 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 2jqo h LEU 49 Cb 1.14 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 2jqo h LEU 49 CO 0.11 0.83 -0.12 0.24 -0.34 0.00 0.00 178.44 179.16 2jqo h MET 50 N 0.70 0.00 -0.05 1.25 2.86 -0.92 -0.49 114.93 118.29 2jqo h MET 50 Ca 0.15 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.60 2jqo h MET 50 Cb 0.37 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.05 2jqo h MET 50 CO 0.01 0.12 -0.73 -0.97 1.06 0.00 0.00 176.91 176.40 2jqo h ASN 51 N 0.00 0.73 0.03 1.22 -1.24 -0.40 -2.78 115.58 113.14 2jqo h ASN 51 Ca -0.00 -0.71 -0.12 0.00 0.71 0.00 0.00 56.30 56.18 2jqo h ASN 51 Cb 0.43 -0.22 0.01 0.00 0.73 0.00 0.00 38.32 39.28 2jqo h ASN 51 CO 0.02 1.33 -0.51 0.50 -1.29 0.00 0.00 177.43 177.48 2jqo h LYS 52 N 0.19 0.28 -1.50 6.67 3.64 -1.21 -3.34 116.57 121.31 2jqo h LYS 52 Ca -0.08 -0.35 -0.68 0.00 -1.27 0.00 0.00 60.65 58.27 2jqo h LYS 52 Cb 1.40 0.11 -0.27 0.00 -0.41 0.00 0.00 32.23 33.07 2jqo h LYS 52 CO 0.15 1.08 0.90 1.19 -2.27 0.00 0.00 179.45 180.49 2jqo n PHE 53 N -4.31 2.93 -0.35 1.91 3.72 -0.21 -4.75 117.46 116.41 2jqo n PHE 53 Ca -0.11 -2.62 0.27 0.00 -0.05 0.00 0.00 57.45 54.94 2jqo n PHE 53 Cb 0.65 -1.32 0.52 0.00 -0.94 0.00 0.00 39.48 38.39 2jqo n PHE 53 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2jqo h LYS 54 N 2.43 0.25 0.00 -1.08 1.57 -1.62 0.58 116.57 118.70 2jqo h LYS 54 Ca 0.56 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2jqo h LYS 54 Cb 0.49 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2jqo h LYS 54 CO 1.44 0.17 0.00 0.09 -0.57 0.00 0.00 179.45 180.58 2jqo n ASN 55 N -5.00 1.85 0.00 0.86 3.02 -1.26 -3.69 115.26 111.04 2jqo n ASN 55 Ca 0.33 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 2jqo n ASN 55 Cb 1.08 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 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 -0.46 0.45 -4.76 6.41 3.02 -0.00 -5.00 115.26 114.92 2jqo n ASN 56 Ca 0.00 -0.72 -0.36 0.00 -0.03 0.00 0.00 54.58 53.47 2jqo n ASN 56 Cb 0.26 0.54 -0.07 0.00 -0.61 0.00 0.00 39.78 39.90 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 -0.54 5.41 -0.11 2.41 2.07 -0.08 -2.68 121.20 127.68 2jqo s ILE 57 Ca 0.00 0.25 0.03 0.00 -1.41 0.00 0.00 60.65 59.52 2jqo s ILE 57 Cb 0.00 -3.48 0.01 0.00 0.13 0.00 0.00 42.46 39.12 2jqo s ILE 57 CO 0.00 0.47 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.62 2jqo s VAL 58 N 0.09 1.74 -0.56 4.00 1.01 0.14 -4.03 120.40 122.79 2jqo s VAL 58 Ca 0.11 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 2jqo s VAL 58 Cb -0.12 -1.55 0.11 0.00 0.00 0.00 0.00 36.38 34.82 2jqo s VAL 58 CO 0.00 0.49 0.61 -0.63 0.00 0.00 0.00 175.10 175.57 2jqo s ILE 59 N 0.74 4.98 0.11 2.22 1.01 -1.00 -0.95 121.20 128.32 2jqo s ILE 59 Ca -0.11 -1.11 -0.18 0.00 0.00 0.00 0.00 60.65 59.25 2jqo s ILE 59 Cb -0.16 -4.40 -0.07 0.00 0.01 0.00 0.00 42.46 37.84 2jqo s ILE 59 CO 0.02 -0.98 0.58 0.68 0.00 0.00 0.00 174.94 175.24 2jqo s VAL 60 N 2.27 4.75 -0.34 2.92 -7.23 0.10 -2.67 120.40 120.19 2jqo s VAL 60 Ca 0.09 1.12 -0.20 0.00 -1.81 0.00 0.00 61.98 61.17 2jqo s VAL 60 Cb -0.26 -3.85 -0.00 0.00 0.56 0.00 0.00 36.38 32.84 2jqo s VAL 60 CO 0.06 0.42 0.63 -0.83 -0.31 0.00 0.00 175.10 175.07 2jqo s GLY 61 N -1.35 1.76 -0.28 2.32 0.00 0.94 -1.10 107.32 109.60 2jqo s GLY 61 Ca 0.33 -0.80 0.05 0.00 0.00 0.00 0.00 44.72 44.30 2jqo s GLY 61 CO 0.19 1.48 1.59 1.04 0.00 0.00 0.00 173.10 177.40 2jqo n LEU 62 N 6.00 5.35 -0.20 0.66 4.77 0.10 -2.50 117.00 131.18 2jqo n LEU 62 Ca -0.01 -2.81 0.11 0.00 -0.03 0.00 0.00 56.01 53.27 2jqo n LEU 62 Cb 0.49 -0.71 0.41 0.00 -2.33 0.00 0.00 43.42 41.27 2jqo n LEU 62 CO 0.48 0.79 1.21 0.28 -1.33 0.00 0.00 177.39 178.82 2jqo h SER 63 N 1.36 0.57 0.63 -1.43 0.02 -1.84 0.14 113.55 112.99 2jqo h SER 63 Ca 0.33 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2jqo h SER 63 Cb 2.14 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.58 2jqo h SER 63 CO 0.67 0.33 -0.06 -0.62 -1.14 0.00 0.00 176.83 176.01 2jqo n GLU 64 N -4.50 0.35 -3.82 3.45 -0.58 -1.26 -4.50 120.64 109.78 2jqo n GLU 64 Ca 0.14 -0.06 -0.35 0.00 -0.42 0.00 0.00 57.16 56.47 2jqo n GLU 64 Cb 0.39 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.64 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 -2.69 3.11 0.14 -3.67 -1.09 0.47 -4.97 121.20 112.51 2jqo s ILE 65 Ca 0.24 -2.12 -0.12 0.00 -2.23 0.00 0.00 60.65 56.42 2jqo s ILE 65 Cb 0.20 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.89 2jqo s ILE 65 CO 0.50 -0.68 1.52 0.44 -1.23 0.00 0.00 174.94 175.49 2jqo h ASP 66 N 7.96 0.92 -3.52 3.58 3.32 -1.79 -3.40 116.42 123.50 2jqo h ASP 66 Ca -0.11 -0.41 -0.71 0.00 0.02 0.00 0.00 57.03 55.82 2jqo h ASP 66 Cb 1.04 -0.26 -0.28 0.00 0.22 0.00 0.00 39.33 40.06 2jqo h ASP 66 CO 0.67 1.13 -0.51 0.20 -1.72 0.00 0.00 179.24 179.01 2jqo s ASN 67 N -6.63 5.58 -0.19 6.45 -0.87 -1.26 -4.89 114.94 113.14 2jqo s ASN 67 Ca -0.12 -1.35 0.14 0.00 -1.57 0.00 0.00 52.86 49.96 2jqo s ASN 67 Cb 0.11 -1.97 0.74 0.00 -0.02 0.00 0.00 41.25 40.11 2jqo s ASN 67 CO 0.85 -0.47 1.63 0.35 -2.57 0.00 0.00 177.10 176.90 2jqo n THR 68 N 4.90 2.32 0.21 1.60 -2.24 -1.26 -4.57 114.28 115.24 2jqo n THR 68 Ca -0.11 -1.24 0.04 0.00 -2.27 0.00 0.00 64.05 60.48 2jqo n THR 68 Cb 0.44 -0.19 0.44 0.00 -2.10 0.00 0.00 70.33 68.92 2jqo n THR 68 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2jqo h ASP 69 N 3.73 0.00 1.67 3.42 3.32 -1.97 -1.74 116.42 124.85 2jqo h ASP 69 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jqo h ASP 69 Cb 1.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.29 2jqo h ASP 69 CO 0.39 0.27 -0.11 -0.78 -1.72 0.00 0.00 179.24 177.28 2jqo h ASP 70 N 0.00 0.00 -2.93 6.45 3.58 -2.03 -3.44 116.42 118.04 2jqo h ASP 70 Ca -0.00 -0.01 -0.54 0.00 0.42 0.00 0.00 57.03 56.89 2jqo h ASP 70 Cb 0.47 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2jqo h ASP 70 CO 0.03 0.01 0.81 -0.76 -2.88 0.00 0.00 179.24 176.46 2jqo s LEU 71 N -5.42 4.31 0.00 2.28 1.43 -0.66 -5.01 118.68 115.61 2jqo s LEU 71 Ca 0.08 2.06 0.02 0.00 -1.03 0.00 0.00 54.13 55.25 2jqo s LEU 71 Cb 0.08 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.76 2jqo s LEU 71 CO 0.66 -0.70 0.14 0.29 0.23 0.00 0.00 176.35 176.97 2jqo n LYS 72 N 5.38 1.15 -4.30 1.70 5.02 -1.26 -5.06 118.16 120.78 2jqo n LYS 72 Ca 0.13 -0.89 -0.34 0.00 -2.02 0.00 0.00 58.31 55.19 2jqo n LYS 72 Cb 0.44 0.05 -0.13 0.00 -0.02 0.00 0.00 35.03 35.36 2jqo n LYS 72 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jqo s ARG 73 N -2.63 3.49 0.00 1.97 3.52 -1.26 -4.56 118.95 119.47 2jqo s ARG 73 Ca 0.11 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 2jqo s ARG 73 Cb -0.01 -2.89 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 2jqo s ARG 73 CO 0.07 0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.03 2jqo n GLY 74 N 4.03 1.60 3.85 8.12 0.00 0.17 -5.01 105.19 117.95 2jqo n GLY 74 Ca -0.18 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 2jqo n GLY 74 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jqo s GLU 75 N -0.77 2.23 -0.06 1.61 2.02 -1.05 -4.93 118.70 117.75 2jqo s GLU 75 Ca 0.00 -2.26 0.02 0.00 0.02 0.00 0.00 54.97 52.75 2jqo s GLU 75 Cb 0.00 -1.79 0.01 0.00 0.10 0.00 0.00 34.13 32.45 2jqo s GLU 75 CO 0.00 -0.53 -0.11 0.15 0.02 0.00 0.00 175.26 174.79 2jqo s LYS 76 N -4.10 1.59 0.03 1.61 1.02 -1.26 -0.11 119.74 118.52 2jqo s LYS 76 Ca 0.17 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 55.83 2jqo s LYS 76 Cb -0.01 -1.34 -0.02 0.00 -0.52 0.00 0.00 37.83 35.94 2jqo s LYS 76 CO 0.10 0.00 -0.13 0.96 -0.92 0.00 0.00 175.35 175.37 2jqo s ILE 77 N 0.73 1.02 -0.39 2.17 -4.36 -0.25 -0.38 121.20 119.74 2jqo s ILE 77 Ca -0.13 -0.91 -0.09 0.00 -0.26 0.00 0.00 60.65 59.25 2jqo s ILE 77 Cb -0.16 -0.92 0.06 0.00 1.25 0.00 0.00 42.46 42.69 2jqo s ILE 77 CO 0.03 0.01 0.22 -0.75 0.24 0.00 0.00 174.94 174.69 2jqo s LYS 78 N -1.03 2.68 0.17 0.37 2.20 0.67 -0.56 119.74 124.24 2jqo s LYS 78 Ca 0.01 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 54.33 2jqo s LYS 78 Cb -0.07 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 2jqo s LYS 78 CO 0.01 -0.83 0.34 0.14 -0.36 0.00 0.00 175.35 174.64 2jqo s VAL 79 N 1.46 5.26 -0.21 4.02 -7.23 0.98 -0.06 120.40 124.63 2jqo s VAL 79 Ca 0.02 -0.48 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 2jqo s VAL 79 Cb -0.21 -3.73 0.04 0.00 0.56 0.00 0.00 36.38 33.04 2jqo s VAL 79 CO 0.04 -0.11 -0.14 0.26 -0.31 0.00 0.00 175.10 174.83 2jqo s TRP 80 N -1.79 2.81 0.37 2.82 0.51 0.58 -1.05 118.94 123.19 2jqo s TRP 80 Ca 0.37 -1.83 0.08 0.00 -2.12 0.00 0.00 56.10 52.60 2jqo s TRP 80 Cb -0.11 -1.83 -0.06 0.00 -0.81 0.00 0.00 33.47 30.65 2jqo s TRP 80 CO 0.29 -0.81 -0.00 -0.59 -0.51 0.00 0.00 176.95 175.33 2jqo s PHE 81 N 1.27 2.50 0.00 -1.98 -0.12 -0.59 -1.89 117.98 117.17 2jqo s PHE 81 Ca -0.01 -0.53 0.00 0.00 -0.05 0.00 0.00 56.93 56.34 2jqo s PHE 81 Cb -0.16 -1.59 0.00 0.00 -0.63 0.00 0.00 43.02 40.64 2jqo s PHE 81 CO -0.09 0.47 0.00 1.58 -0.05 0.00 0.00 175.22 177.13 2jqo n HIS 82 N -0.94 0.00 -4.01 3.49 -0.00 -1.21 -2.13 115.22 110.41 2jqo n HIS 82 Ca -0.04 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.81 2jqo n HIS 82 Cb 0.64 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.37 2jqo n HIS 82 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2jqo s THR 83 N -1.50 2.49 -0.08 3.57 2.01 -1.26 -5.04 115.64 115.83 2jqo s THR 83 Ca 0.00 -1.42 -0.01 0.00 0.31 0.00 0.00 61.69 60.57 2jqo s THR 83 Cb 0.00 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 2jqo s THR 83 CO 0.00 0.03 -0.03 -0.13 -0.69 0.00 0.00 174.62 173.80 2jqo s ARG 84 N 1.19 2.88 -0.25 4.92 0.52 -1.26 -1.50 118.95 125.44 2jqo s ARG 84 Ca -0.05 -0.47 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 2jqo s ARG 84 Cb -0.19 -2.70 0.06 0.00 0.52 0.00 0.00 34.95 32.64 2jqo s ARG 84 CO -0.05 0.69 -0.10 0.21 0.02 0.00 0.00 175.30 176.07 2jqo s LYS 85 N -0.87 2.08 -1.08 3.54 2.20 0.81 -5.00 119.74 121.42 2jqo s LYS 85 Ca 0.13 -1.24 -0.22 0.00 -0.36 0.00 0.00 55.97 54.28 2jqo s LYS 85 Cb -0.11 -2.80 0.05 0.00 -1.51 0.00 0.00 37.83 33.46 2jqo s LYS 85 CO 0.02 -0.57 1.55 -2.00 -0.36 0.00 0.00 175.35 173.99 2jqo s GLU 86 N 1.19 3.60 -0.13 4.03 2.12 -1.26 -1.50 118.70 126.75 2jqo s GLU 86 Ca -0.08 -1.27 0.17 0.00 0.36 0.00 0.00 54.97 54.15 2jqo s GLU 86 Cb -0.20 -5.38 -0.25 0.00 0.26 0.00 0.00 34.13 28.56 2jqo s GLU 86 CO -0.05 -2.32 0.18 -1.13 -0.54 0.00 0.00 175.26 171.40 2jqo n SER 87 N 9.16 0.54 -2.76 -1.70 3.41 -1.26 -4.97 113.62 116.05 2jqo n SER 87 Ca 0.37 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.98 2jqo n SER 87 Cb 0.50 1.25 -0.00 0.00 -0.26 0.00 0.00 64.21 65.69 2jqo n SER 87 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jqo n ASN 88 N -2.51 -7.25 -4.75 4.04 4.13 -1.26 -4.76 115.26 102.90 2jqo n ASN 88 Ca -0.21 1.34 -0.41 0.00 1.68 0.00 0.00 54.58 56.98 2jqo n ASN 88 Cb 0.90 -4.98 -0.03 0.00 -1.54 0.00 0.00 39.78 34.13 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2jqo s PRO 89 N -1.48 4.35 0.52 3.52 0.04 -1.24 -5.01 135.00 135.69 2jqo s PRO 89 Ca -0.03 2.16 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 2jqo s PRO 89 Cb 0.00 -3.14 -0.07 0.00 0.04 0.00 0.00 34.50 31.33 2jqo s PRO 89 CO 0.71 -0.27 1.01 -1.25 0.04 0.00 0.00 177.00 177.24 2jqo s PRO 90 N -0.62 3.80 0.17 0.56 0.04 -1.26 -4.87 135.00 132.83 2jqo s PRO 90 Ca 0.55 1.10 0.09 0.00 0.04 0.00 0.00 61.00 62.79 2jqo s PRO 90 Cb -0.39 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 2jqo s PRO 90 CO 0.43 -0.41 -0.14 0.45 0.04 0.00 0.00 177.00 177.37 2jqo s SER 91 N -2.72 4.00 -0.12 6.66 0.15 -0.56 -2.36 113.70 118.75 2jqo s SER 91 Ca 0.62 -0.64 -0.07 0.00 0.70 0.00 0.00 55.95 56.55 2jqo s SER 91 Cb -0.12 -0.58 0.04 0.00 -1.71 0.00 0.00 66.02 63.65 2jqo s SER 91 CO 0.29 0.12 0.29 0.00 1.20 0.00 0.00 173.24 175.14 2jqo s ALA 92 N -1.61 -0.71 -0.33 5.45 0.00 -1.09 -0.14 121.76 123.34 2jqo s ALA 92 Ca 0.23 1.07 -0.20 0.00 0.00 0.00 0.00 51.96 53.05 2jqo s ALA 92 Cb -0.09 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.37 2jqo s ALA 92 CO 0.13 -0.20 0.62 0.99 0.00 0.00 0.00 175.76 177.31 2jqo s THR 93 N 0.98 4.92 0.04 0.00 2.01 -0.56 -0.04 115.64 122.99 2jqo s THR 93 Ca -0.07 0.72 -0.00 0.00 0.31 0.00 0.00 61.69 62.66 2jqo s THR 93 Cb -0.08 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2jqo s THR 93 CO -0.07 -0.21 0.16 0.27 -0.69 0.00 0.00 174.62 174.08 2jqo s ILE 94 N 2.64 5.14 -0.07 1.82 -4.36 -1.04 -3.29 121.20 122.03 2jqo s ILE 94 Ca 0.24 -0.42 0.08 0.00 -0.26 0.00 0.00 60.65 60.30 2jqo s ILE 94 Cb -0.15 -3.46 -0.11 0.00 1.25 0.00 0.00 42.46 39.99 2jqo s ILE 94 CO 0.13 0.20 0.06 0.00 0.24 0.00 0.00 174.94 175.58 2jqo n GLN 95 N 0.58 2.17 -4.07 0.37 6.02 -0.79 -4.31 117.38 117.34 2jqo n GLN 95 Ca -0.08 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 56.78 2jqo n GLN 95 Cb 0.52 -1.22 -0.11 0.00 1.02 0.00 0.00 30.24 30.44 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 -2.29 0.56 -0.11 -1.09 1.02 -1.19 -4.88 119.74 111.76 2jqo s LYS 96 Ca -0.04 -0.89 -0.20 0.00 0.02 0.00 0.00 55.97 54.86 2jqo s LYS 96 Cb 0.03 -0.17 0.05 0.00 -0.52 0.00 0.00 37.83 37.22 2jqo s LYS 96 CO 0.36 0.01 0.51 1.52 -0.92 0.00 0.00 175.35 176.82 2jqo s TYR 97 N -2.05 -0.49 -0.22 3.18 1.13 -1.26 -0.31 117.35 117.32 2jqo s TYR 97 Ca -0.05 1.05 -0.02 0.00 -1.41 0.00 0.00 57.07 56.63 2jqo s TYR 97 Cb -0.05 0.22 0.01 0.00 -1.10 0.00 0.00 41.96 41.04 2jqo s TYR 97 CO -0.02 -0.39 -0.08 -2.00 -2.51 0.00 0.00 175.55 170.56 2jqo s GLU 98 N -0.49 3.11 -0.42 -3.49 2.12 0.91 -4.95 118.70 115.49 2jqo s GLU 98 Ca -0.06 -0.79 -0.29 0.00 0.36 0.00 0.00 54.97 54.19 2jqo s GLU 98 Cb -0.03 -2.92 0.02 0.00 0.26 0.00 0.00 34.13 31.45 2jqo s GLU 98 CO 0.04 -0.27 1.26 -1.17 -0.54 0.00 0.00 175.26 174.57 2jqo s LEU 99 N 1.39 3.67 -0.41 2.70 0.20 -1.26 -0.24 118.68 124.73 2jqo s LEU 99 Ca 0.04 0.73 -0.29 0.00 0.69 0.00 0.00 54.13 55.30 2jqo s LEU 99 Cb -0.15 -3.54 0.02 0.00 -0.43 0.00 0.00 46.19 42.08 2jqo s LEU 99 CO -0.06 -1.28 1.24 -0.76 -0.29 0.00 0.00 176.35 175.21 2jqo s LEU 100 N 4.76 3.70 -1.18 -0.68 1.43 0.49 -4.94 118.68 122.26 2jqo s LEU 100 Ca 0.54 0.78 -0.18 0.00 -1.03 0.00 0.00 54.13 54.23 2jqo s LEU 100 Cb -0.11 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.65 2jqo s LEU 100 CO 0.30 -1.23 1.56 -0.22 0.23 0.00 0.00 176.35 176.99 2jqo s LEU 101 N 4.63 4.08 0.26 1.79 2.96 -1.26 -4.43 118.68 126.71 2jqo s LEU 101 Ca 0.53 -2.28 0.23 0.00 -0.22 0.00 0.00 54.13 52.39 2jqo s LEU 101 Cb -0.11 -2.53 0.09 0.00 0.50 0.00 0.00 46.19 44.14 2jqo s LEU 101 CO 0.28 -1.16 1.19 1.05 -1.32 0.00 0.00 176.35 176.39 2jqo h GLU 102 N 8.14 0.00 -5.86 1.98 -0.00 -1.92 -3.39 114.58 113.52 2jqo h GLU 102 Ca 0.34 0.00 -0.44 0.00 -0.00 0.00 0.00 59.36 59.26 2jqo h GLU 102 Cb 0.92 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.60 2jqo h GLU 102 CO 1.38 0.00 1.16 -1.01 -0.00 0.00 0.00 179.01 180.54 2jqo s HIS 103 N -3.32 2.17 0.21 2.06 3.76 -1.26 -4.87 115.29 114.03 2jqo s HIS 103 Ca 0.01 -0.11 -0.09 0.00 -0.15 0.00 0.00 55.06 54.73 2jqo s HIS 103 Cb 0.09 -4.34 0.26 0.00 1.11 0.00 0.00 32.58 29.69 2jqo s HIS 103 CO 0.76 -1.78 1.79 0.45 -0.85 0.00 0.00 174.74 175.11 2jqo h HIS 104 N 10.32 0.61 -0.02 1.40 3.86 -2.00 -3.27 115.15 126.04 2jqo h HIS 104 Ca 0.17 0.03 -0.67 0.00 -1.16 0.00 0.00 60.37 58.73 2jqo h HIS 104 Cb 0.99 -0.18 0.02 0.00 1.06 0.00 0.00 27.41 29.31 2jqo h HIS 104 CO 1.26 0.26 3.79 1.58 0.86 0.00 0.00 177.93 185.67 2jqo n HIS 105 N -4.85 2.50 -0.86 2.45 -0.00 -1.26 -3.15 115.22 110.05 2jqo n HIS 105 Ca 0.09 -3.09 0.00 0.00 -0.00 0.00 0.00 57.72 54.72 2jqo n HIS 105 Cb 0.21 -2.49 0.00 0.00 -0.00 0.00 0.00 29.99 27.71 2jqo n HIS 105 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jqo n HIS 106 N 3.73 0.00 0.00 1.57 -0.00 -1.24 -4.94 115.22 114.34 2jqo n HIS 106 Ca 0.77 -0.06 0.00 0.00 -0.00 0.00 0.00 57.72 58.42 2jqo n HIS 106 Cb 0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 2jqo n HIS 106 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jqo n HIS 107 N -0.06 0.00 0.00 4.41 -0.00 -1.19 -5.21 115.22 113.17 2jqo n HIS 107 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jqo n HIS 107 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 2jqo n HIS 107 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92