#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 1.75 -0.93 7.83 3.02 -1.26 -5.01 115.26 120.66 2jqo n ASN 2 Ca 0.00 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 2jqo n ASN 2 Cb 0.00 1.35 0.00 0.00 -0.61 0.00 0.00 39.78 40.52 2jqo n ASN 2 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2jqo n LYS 3 N -1.69 2.65 0.23 3.52 5.02 -1.26 -5.01 118.16 121.62 2jqo n LYS 3 Ca -0.01 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 2jqo n LYS 3 Cb 0.26 0.00 0.38 0.00 -0.02 0.00 0.00 35.03 35.64 2jqo n LYS 3 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2jqo h ASN 4 N 0.00 0.00 -4.19 4.39 2.35 -2.10 -3.44 115.58 112.60 2jqo h ASN 4 Ca 0.00 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.29 2jqo h ASN 4 Cb 0.00 0.00 0.11 0.00 0.05 0.00 0.00 38.32 38.48 2jqo h ASN 4 CO 0.00 0.09 0.37 -1.61 -1.65 0.00 0.00 177.43 174.63 2jqo s GLU 5 N -3.41 1.62 0.00 0.81 8.01 -1.26 -4.94 118.70 119.54 2jqo s GLU 5 Ca 0.04 -0.16 0.00 0.00 0.01 0.00 0.00 54.97 54.86 2jqo s GLU 5 Cb 0.07 -1.98 0.00 0.00 -4.31 0.00 0.00 34.13 27.92 2jqo s GLU 5 CO 0.63 -1.75 0.00 1.04 0.01 0.00 0.00 175.26 175.19 2jqo n GLN 6 N -3.35 0.00 0.00 1.61 6.02 -1.26 -1.16 117.38 119.24 2jqo n GLN 6 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2jqo n GLN 6 Cb 0.60 -0.29 0.00 0.00 1.02 0.00 0.00 30.24 31.57 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 -2.27 0.00 0.00 1.08 5.15 -1.26 -0.71 115.26 117.25 2jqo n ASN 7 Ca 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.99 2jqo n ASN 7 Cb 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.31 2jqo n ASN 7 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jqo n GLY 8 N 0.00 -0.84 0.24 8.20 0.00 -1.26 -3.28 105.19 108.25 2jqo n GLY 8 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 2jqo n GLY 8 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jqo h ASP 9 N 0.00 0.50 0.37 1.61 5.19 -2.00 -3.06 116.42 119.03 2jqo h ASP 9 Ca 0.00 -0.16 -0.26 0.00 -0.62 0.00 0.00 57.03 55.99 2jqo h ASP 9 Cb 0.00 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 39.39 2jqo h ASP 9 CO 0.00 0.72 -1.13 -0.08 -3.12 0.00 0.00 179.24 175.63 2jqo h GLU 10 N 0.45 0.43 -7.06 3.56 4.81 -2.00 -3.45 114.58 111.31 2jqo h GLU 10 Ca 0.07 -0.56 -0.47 0.00 -0.13 0.00 0.00 59.36 58.27 2jqo h GLU 10 Cb 0.62 0.18 0.02 0.00 0.63 0.00 0.00 28.75 30.20 2jqo h GLU 10 CO 0.04 1.22 0.38 0.95 -0.73 0.00 0.00 179.01 180.88 2jqo s THR 11 N -2.99 3.83 -0.56 0.32 -4.23 -1.16 -4.99 115.64 105.86 2jqo s THR 11 Ca -0.06 1.17 -0.24 0.00 -1.18 0.00 0.00 61.69 61.38 2jqo s THR 11 Cb 0.07 -3.49 0.04 0.00 1.34 0.00 0.00 72.50 70.47 2jqo s THR 11 CO 0.89 -0.22 0.95 -0.54 -0.54 0.00 0.00 174.62 175.17 2jqo s LYS 12 N -3.14 3.31 -0.13 3.99 1.02 -1.26 -4.97 119.74 118.57 2jqo s LYS 12 Ca 0.66 -0.30 -0.19 0.00 0.02 0.00 0.00 55.97 56.15 2jqo s LYS 12 Cb -0.16 -4.07 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 2jqo s LYS 12 CO 0.20 -1.53 0.53 -1.64 -0.92 0.00 0.00 175.35 171.99 2jqo s MET 13 N 4.01 4.32 -0.10 1.68 -1.94 -1.26 -5.01 119.30 120.99 2jqo s MET 13 Ca 0.30 0.52 -0.19 0.00 -1.71 0.00 0.00 55.69 54.61 2jqo s MET 13 Cb -0.13 -3.47 -0.04 0.00 2.01 0.00 0.00 34.83 33.20 2jqo s MET 13 CO 0.18 0.07 0.52 -1.14 -0.01 0.00 0.00 175.02 174.64 2jqo s GLN 14 N 0.90 4.35 -0.01 2.03 2.00 -1.20 -4.92 119.66 122.82 2jqo s GLN 14 Ca 0.28 0.54 -0.30 0.00 -2.00 0.00 0.00 55.36 53.88 2jqo s GLN 14 Cb -0.16 -3.43 -0.03 0.00 0.80 0.00 0.00 33.01 30.19 2jqo s GLN 14 CO 0.11 0.15 1.01 -1.12 -0.50 0.00 0.00 175.29 174.94 2jqo s SER 15 N 0.62 7.31 -0.15 6.67 0.01 -1.26 -2.31 113.70 124.59 2jqo s SER 15 Ca 0.28 1.68 -0.00 0.00 1.31 0.00 0.00 55.95 59.22 2jqo s SER 15 Cb -0.16 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.54 2jqo s SER 15 CO 0.12 -0.32 -0.07 -0.22 0.41 0.00 0.00 173.24 173.16 2jqo s LEU 16 N 1.21 1.55 -0.25 2.44 0.20 0.15 -4.96 118.68 119.02 2jqo s LEU 16 Ca 0.52 -0.57 -0.12 0.00 0.69 0.00 0.00 54.13 54.65 2jqo s LEU 16 Cb -0.21 -0.94 -0.05 0.00 -0.43 0.00 0.00 46.19 44.56 2jqo s LEU 16 CO 0.26 -0.15 0.23 -0.69 -0.29 0.00 0.00 176.35 175.71 2jqo s VAL 17 N 1.62 5.30 0.05 1.68 1.01 -1.26 0.04 120.40 128.85 2jqo s VAL 17 Ca 0.02 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 2jqo s VAL 17 Cb -0.14 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2jqo s VAL 17 CO -0.08 0.28 0.25 -0.83 0.00 0.00 0.00 175.10 174.72 2jqo s GLY 18 N 1.38 -0.04 -0.08 4.51 0.00 -0.46 -4.78 107.32 107.85 2jqo s GLY 18 Ca 0.10 -0.20 -0.26 0.00 0.00 0.00 0.00 44.72 44.36 2jqo s GLY 18 CO 0.08 -0.40 0.82 -0.19 0.00 0.00 0.00 173.10 173.41 2jqo s TYR 19 N -2.84 3.55 -0.83 1.90 1.51 -0.59 -0.86 117.35 119.19 2jqo s TYR 19 Ca -0.03 1.38 -0.25 0.00 -1.01 0.00 0.00 57.07 57.16 2jqo s TYR 19 Cb 0.00 -2.96 0.04 0.00 -0.11 0.00 0.00 41.96 38.93 2jqo s TYR 19 CO -0.05 -0.05 1.29 0.08 -1.11 0.00 0.00 175.55 175.71 2jqo s VAL 20 N 1.31 3.89 -0.20 0.71 1.01 0.14 -1.30 120.40 125.97 2jqo s VAL 20 Ca 0.42 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.33 2jqo s VAL 20 Cb -0.18 -4.93 -0.21 0.00 0.00 0.00 0.00 36.38 31.05 2jqo s VAL 20 CO 0.19 -1.83 0.04 1.33 0.00 0.00 0.00 175.10 174.83 2jqo n VAL 21 N 6.45 1.54 -3.94 2.92 0.24 -0.89 0.15 118.33 124.80 2jqo n VAL 21 Ca 0.12 -0.67 -0.10 0.00 -2.04 0.00 0.00 64.34 61.65 2jqo n VAL 21 Cb 0.49 -1.25 -0.12 0.00 -1.47 0.00 0.00 33.84 31.50 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 -6.37 2.14 0.00 1.34 1.43 -1.08 -4.40 118.68 111.74 2jqo s LEU 22 Ca -0.24 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 2jqo s LEU 22 Cb 0.08 0.10 -0.01 0.00 0.03 0.00 0.00 46.19 46.39 2jqo s LEU 22 CO 0.71 -0.22 -0.06 -0.75 0.23 0.00 0.00 176.35 176.26 2jqo s LYS 23 N -1.04 0.44 0.27 1.70 2.20 -1.26 -0.12 119.74 121.92 2jqo s LYS 23 Ca -0.11 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 2jqo s LYS 23 Cb -0.07 -0.40 -0.00 0.00 -1.51 0.00 0.00 37.83 35.85 2jqo s LYS 23 CO -0.01 0.11 0.01 -3.47 -0.36 0.00 0.00 175.35 171.63 2jqo n ASP 24 N 2.82 2.59 0.07 1.43 2.03 0.68 -4.98 116.55 121.20 2jqo n ASP 24 Ca -0.14 -2.18 -0.14 0.00 0.52 0.00 0.00 54.79 52.85 2jqo n ASP 24 Cb 0.58 0.22 -0.14 0.00 -0.72 0.00 0.00 41.12 41.07 2jqo n ASP 24 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2jqo h ASN 25 N 0.67 0.29 0.18 1.67 -1.24 -2.01 -3.38 115.58 111.77 2jqo h ASN 25 Ca -0.22 -0.36 -0.35 0.00 0.71 0.00 0.00 56.30 56.08 2jqo h ASN 25 Cb 0.68 -0.10 -0.06 0.00 0.73 0.00 0.00 38.32 39.58 2jqo h ASN 25 CO 0.36 1.29 -2.12 -0.62 -1.29 0.00 0.00 177.43 175.05 2jqo n GLU 26 N -3.43 0.68 -4.16 6.67 -0.58 -1.26 -4.65 120.64 113.90 2jqo n GLU 26 Ca -0.10 0.16 -0.10 0.00 -0.42 0.00 0.00 57.16 56.70 2jqo n GLU 26 Cb 1.02 -1.64 -0.10 0.00 -0.57 0.00 0.00 31.44 30.15 2jqo n GLU 26 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jqo s ARG 27 N -2.54 0.93 -0.04 3.49 0.52 -1.26 0.16 118.95 120.21 2jqo s ARG 27 Ca -0.14 -1.44 0.03 0.00 -0.52 0.00 0.00 55.73 53.66 2jqo s ARG 27 Cb 0.07 0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.72 2jqo s ARG 27 CO 0.78 -0.23 -0.12 0.00 0.02 0.00 0.00 175.30 175.75 2jqo s ALA 28 N -3.99 1.14 -0.50 2.13 0.00 0.66 -0.23 121.76 120.97 2jqo s ALA 28 Ca 0.23 -0.43 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 2jqo s ALA 28 Cb 0.07 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.79 2jqo s ALA 28 CO 0.01 0.16 0.74 0.42 0.00 0.00 0.00 175.76 177.10 2jqo s ILE 29 N 0.32 4.69 -0.08 0.00 1.01 0.83 -0.71 121.20 127.25 2jqo s ILE 29 Ca -0.07 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.57 2jqo s ILE 29 Cb -0.12 -4.36 -0.02 0.00 0.01 0.00 0.00 42.46 37.97 2jqo s ILE 29 CO 0.02 -0.85 -0.11 -0.76 0.00 0.00 0.00 174.94 173.24 2jqo s LEU 30 N 3.15 2.88 -0.27 2.97 1.43 -0.57 -2.09 118.68 126.18 2jqo s LEU 30 Ca 0.23 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 2jqo s LEU 30 Cb -0.15 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2jqo s LEU 30 CO 0.17 0.29 0.39 -0.63 0.23 0.00 0.00 176.35 176.80 2jqo s ILE 31 N -0.41 5.16 -0.50 -0.59 1.01 -0.42 -0.75 121.20 124.71 2jqo s ILE 31 Ca 0.05 0.60 0.06 0.00 0.00 0.00 0.00 60.65 61.36 2jqo s ILE 31 Cb -0.12 -3.71 0.40 0.00 0.01 0.00 0.00 42.46 39.04 2jqo s ILE 31 CO 0.02 0.15 1.24 0.35 0.00 0.00 0.00 174.94 176.70 2jqo n THR 32 N 5.12 1.63 -2.44 2.92 -2.24 -0.59 -1.55 114.28 117.13 2jqo n THR 32 Ca -0.08 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 2jqo n THR 32 Cb 0.51 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.13 0.00 -0.03 3.42 -0.08 -1.25 -4.99 116.55 113.74 2jqo n ASP 33 Ca 0.19 -0.71 0.04 0.00 -1.51 0.00 0.00 54.79 52.80 2jqo n ASP 33 Cb 0.85 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 44.15 2jqo n ASP 33 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2jqo n THR 34 N -0.80 0.51 -3.15 5.18 5.66 -1.26 -4.85 114.28 115.57 2jqo n THR 34 Ca 0.00 -0.62 -0.39 0.00 -3.05 0.00 0.00 64.05 59.99 2jqo n THR 34 Cb 0.00 -0.19 -0.06 0.00 -1.55 0.00 0.00 70.33 68.53 2jqo n THR 34 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2jqo s LYS 35 N -3.16 4.35 -0.18 1.09 1.02 -1.26 -5.07 119.74 116.54 2jqo s LYS 35 Ca -0.08 0.91 -0.11 0.00 0.02 0.00 0.00 55.97 56.71 2jqo s LYS 35 Cb 0.11 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 2jqo s LYS 35 CO 0.88 0.61 0.18 0.00 -0.92 0.00 0.00 175.35 176.10 2jqo s ALA 36 N -1.13 3.68 0.61 5.17 0.00 -1.26 -4.97 121.76 123.86 2jqo s ALA 36 Ca 0.32 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.48 2jqo s ALA 36 Cb -0.21 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 2jqo s ALA 36 CO 0.22 0.18 0.85 -2.30 0.00 0.00 0.00 175.76 174.72 2jqo n PRO 37 N 3.39 0.76 -1.10 0.00 -0.02 -1.26 -5.02 135.00 131.75 2jqo n PRO 37 Ca -0.15 0.30 -0.03 0.00 -2.02 0.00 0.00 63.50 61.59 2jqo n PRO 37 Cb 0.52 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.41 1.27 0.29 -1.23 0.00 -1.26 -4.85 105.19 100.82 2jqo n GLY 38 Ca 0.13 -2.05 0.01 0.00 0.00 0.00 0.00 46.02 44.12 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 0.76 -0.59 1.61 3.64 -2.00 -1.65 116.57 118.35 2jqo h LYS 39 Ca -0.05 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 2jqo h LYS 39 Cb 0.20 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2jqo h LYS 39 CO 0.06 0.50 0.08 0.93 -2.27 0.00 0.00 179.45 178.75 2jqo h GLU 40 N 0.78 0.98 -0.36 1.90 5.08 -1.99 -2.84 114.58 118.14 2jqo h GLU 40 Ca 0.36 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2jqo h GLU 40 Cb 0.27 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2jqo h GLU 40 CO -0.21 0.94 0.06 -0.44 -1.00 0.00 0.00 179.01 178.36 2jqo h ASP 41 N 0.88 0.57 0.85 1.42 3.32 -1.68 -1.31 116.42 120.47 2jqo h ASP 41 Ca 0.18 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2jqo h ASP 41 Cb 0.45 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2jqo h ASP 41 CO 0.02 0.68 0.00 1.88 -1.72 0.00 0.00 179.24 180.09 2jqo h TYR 42 N 0.44 0.00 0.00 4.55 0.05 -1.36 -2.53 116.97 118.11 2jqo h TYR 42 Ca 0.11 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.79 2jqo h TYR 42 Cb 0.35 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 2jqo h TYR 42 CO 0.02 0.00 -1.06 -0.97 -1.05 0.00 0.00 178.16 175.10 2jqo h ASN 43 N 0.00 0.00 -4.28 3.88 -1.24 -1.13 -3.47 115.58 109.35 2jqo h ASN 43 Ca 0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 2jqo h ASN 43 Cb 0.43 0.00 0.13 0.00 0.73 0.00 0.00 38.32 39.61 2jqo h ASN 43 CO 0.00 0.37 0.33 -0.76 -1.29 0.00 0.00 177.43 176.08 2jqo s LEU 44 N -5.80 3.11 0.51 0.34 1.43 -0.56 -5.00 118.68 112.71 2jqo s LEU 44 Ca -0.01 1.90 -0.20 0.00 -1.03 0.00 0.00 54.13 54.79 2jqo s LEU 44 Cb 0.08 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.71 2jqo s LEU 44 CO 0.79 -2.01 1.12 -0.44 0.23 0.00 0.00 176.35 176.03 2jqo s SER 45 N -3.13 5.96 0.48 2.29 0.01 -1.26 -4.83 113.70 113.21 2jqo s SER 45 Ca 0.63 2.16 0.12 0.00 1.31 0.00 0.00 55.95 60.17 2jqo s SER 45 Cb -0.19 -2.58 1.10 0.00 0.21 0.00 0.00 66.02 64.57 2jqo s SER 45 CO 0.52 -1.06 2.11 1.05 0.41 0.00 0.00 173.24 176.28 2jqo h GLU 46 N 1.49 0.22 -0.49 12.44 9.09 -1.94 -0.29 114.58 135.09 2jqo h GLU 46 Ca -0.50 -0.01 -0.09 0.00 0.05 0.00 0.00 59.36 58.81 2jqo h GLU 46 Cb 1.25 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 28.28 2jqo h GLU 46 CO 0.58 0.14 -0.05 0.78 0.05 0.00 0.00 179.01 180.52 2jqo h GLY 47 N 0.23 0.93 0.71 1.06 0.00 -1.97 0.44 103.07 104.46 2jqo h GLY 47 Ca 0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 2jqo h GLY 47 CO -0.01 0.62 -0.01 1.46 0.00 0.00 0.00 176.54 178.60 2jqo h GLN 48 N 0.79 0.10 -0.81 4.80 4.20 -1.46 -1.55 115.11 121.17 2jqo h GLN 48 Ca 0.14 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 2jqo h GLN 48 Cb 0.54 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 2jqo h GLN 48 CO 0.03 0.41 0.43 1.25 -0.67 0.00 0.00 178.83 180.28 2jqo h LEU 49 N -0.21 1.03 -1.49 1.46 5.85 -1.14 -1.45 115.31 119.35 2jqo h LEU 49 Ca 0.02 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2jqo h LEU 49 Cb 0.36 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2jqo h LEU 49 CO 0.00 0.85 0.14 -0.03 -0.34 0.00 0.00 178.44 179.06 2jqo h MET 50 N 1.14 0.48 0.00 1.25 4.05 -0.02 -2.21 114.93 119.61 2jqo h MET 50 Ca 0.28 -0.06 -0.19 0.00 -0.28 0.00 0.00 59.70 59.46 2jqo h MET 50 Cb 0.06 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.74 2jqo h MET 50 CO -0.04 0.40 -0.96 -0.97 0.23 0.00 0.00 176.91 175.57 2jqo h ASN 51 N 0.48 0.00 -0.66 1.39 -1.24 -0.66 -1.99 115.58 112.90 2jqo h ASN 51 Ca 0.12 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.07 2jqo h ASN 51 Cb 0.09 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.11 2jqo h ASN 51 CO -0.01 0.87 0.18 0.11 -1.29 0.00 0.00 177.43 177.29 2jqo h LYS 52 N 0.00 1.07 -1.12 6.67 1.57 -0.68 -2.91 116.57 121.16 2jqo h LYS 52 Ca -0.04 -0.24 -0.61 0.00 -1.87 0.00 0.00 60.65 57.89 2jqo h LYS 52 Cb 1.69 -0.15 -0.38 0.00 0.08 0.00 0.00 32.23 33.47 2jqo h LYS 52 CO 0.11 0.93 -0.22 1.19 -0.57 0.00 0.00 179.45 180.89 2jqo n PHE 53 N -4.25 3.03 -0.34 -1.35 3.01 -0.99 -4.88 117.46 111.70 2jqo n PHE 53 Ca 0.05 -2.61 0.22 0.00 1.01 0.00 0.00 57.45 56.12 2jqo n PHE 53 Cb 0.24 -0.62 0.47 0.00 -0.01 0.00 0.00 39.48 39.57 2jqo n PHE 53 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2jqo h LYS 54 N 2.32 0.43 -0.11 -1.08 3.64 -1.15 0.20 116.57 120.82 2jqo h LYS 54 Ca 0.43 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2jqo h LYS 54 Cb 1.07 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2jqo h LYS 54 CO 1.04 0.28 0.00 0.09 -2.27 0.00 0.00 179.45 178.59 2jqo n ASN 55 N -4.73 2.53 -0.41 4.20 5.03 -1.26 -4.54 115.26 116.09 2jqo n ASN 55 Ca 0.27 -2.38 0.07 0.00 0.87 0.00 0.00 54.58 53.41 2jqo n ASN 55 Cb 0.87 -0.22 0.16 0.00 -1.02 0.00 0.00 39.78 39.57 2jqo n ASN 55 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2jqo n ASN 56 N -0.48 1.88 -4.08 6.41 4.13 0.68 -5.01 115.26 118.78 2jqo n ASN 56 Ca 0.09 -3.37 -0.22 0.00 1.68 0.00 0.00 54.58 52.77 2jqo n ASN 56 Cb 0.46 -0.46 -0.15 0.00 -1.54 0.00 0.00 39.78 38.09 2jqo n ASN 56 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2jqo s ILE 57 N -2.77 1.01 -0.10 2.41 2.07 -1.00 -1.54 121.20 121.27 2jqo s ILE 57 Ca 0.33 -0.53 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 2jqo s ILE 57 Cb 0.31 -0.85 0.02 0.00 0.13 0.00 0.00 42.46 42.07 2jqo s ILE 57 CO -0.03 0.29 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.49 2jqo s VAL 58 N -0.21 1.23 -0.54 4.00 1.01 0.07 -4.34 120.40 121.62 2jqo s VAL 58 Ca 0.03 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 2jqo s VAL 58 Cb -0.06 -1.17 0.08 0.00 0.00 0.00 0.00 36.38 35.23 2jqo s VAL 58 CO -0.00 0.39 0.65 -0.63 0.00 0.00 0.00 175.10 175.50 2jqo s ILE 59 N 1.25 4.87 0.26 2.22 1.01 -0.66 -1.51 121.20 128.63 2jqo s ILE 59 Ca -0.03 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.66 2jqo s ILE 59 Cb -0.14 -4.37 -0.09 0.00 0.01 0.00 0.00 42.46 37.87 2jqo s ILE 59 CO -0.04 -0.93 0.79 0.68 0.00 0.00 0.00 174.94 175.43 2jqo s VAL 60 N 2.59 4.47 -0.21 2.92 -7.23 0.11 -1.84 120.40 121.21 2jqo s VAL 60 Ca 0.13 1.42 -0.22 0.00 -1.81 0.00 0.00 61.98 61.50 2jqo s VAL 60 Cb -0.22 -3.89 -0.02 0.00 0.56 0.00 0.00 36.38 32.82 2jqo s VAL 60 CO 0.09 0.17 0.68 -0.83 -0.31 0.00 0.00 175.10 174.89 2jqo s GLY 61 N -1.67 1.99 0.00 2.32 0.00 0.10 -0.25 107.32 109.81 2jqo s GLY 61 Ca 0.46 -0.24 0.25 0.00 0.00 0.00 0.00 44.72 45.18 2jqo s GLY 61 CO 0.21 1.43 1.35 1.04 0.00 0.00 0.00 173.10 177.13 2jqo n LEU 62 N 5.27 1.67 0.29 0.66 4.77 0.12 -2.65 117.00 127.13 2jqo n LEU 62 Ca 0.00 -0.56 0.16 0.00 -0.03 0.00 0.00 56.01 55.58 2jqo n LEU 62 Cb 0.49 -0.05 0.93 0.00 -2.33 0.00 0.00 43.42 42.47 2jqo n LEU 62 CO 0.45 0.30 1.14 0.28 -1.33 0.00 0.00 177.39 178.23 2jqo h SER 63 N 2.14 0.00 0.16 -1.43 0.02 -1.79 -0.88 113.55 111.78 2jqo h SER 63 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 2jqo h SER 63 Cb 0.66 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.21 2jqo h SER 63 CO 0.00 0.00 -1.09 -0.08 -1.14 0.00 0.00 176.83 174.52 2jqo h GLU 64 N 0.00 0.58 -4.30 3.45 4.57 -1.80 -3.41 114.58 113.68 2jqo h GLU 64 Ca 0.02 -0.68 -0.73 0.00 -1.18 0.00 0.00 59.36 56.79 2jqo h GLU 64 Cb 0.11 0.21 -0.29 0.00 -0.16 0.00 0.00 28.75 28.61 2jqo h GLU 64 CO -0.00 1.28 -0.39 0.42 -1.18 0.00 0.00 179.01 179.14 2jqo s ILE 65 N -3.17 4.23 -2.00 2.32 1.01 -0.33 -4.90 121.20 118.35 2jqo s ILE 65 Ca -0.08 -1.77 0.05 0.00 0.00 0.00 0.00 60.65 58.85 2jqo s ILE 65 Cb 0.07 -3.78 0.15 0.00 0.01 0.00 0.00 42.46 38.91 2jqo s ILE 65 CO 0.91 -0.77 1.21 -0.90 0.00 0.00 0.00 174.94 175.38 2jqo n ASP 66 N 4.92 0.04 -1.21 3.58 5.75 -1.26 -3.12 116.55 125.25 2jqo n ASP 66 Ca -0.08 -1.84 0.09 0.00 -0.01 0.00 0.00 54.79 52.95 2jqo n ASP 66 Cb 0.41 -0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.78 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 -0.56 3.97 -0.92 -1.12 5.03 -1.26 -4.60 115.26 115.81 2jqo n ASN 67 Ca 0.04 -2.24 -0.01 0.00 0.87 0.00 0.00 54.58 53.24 2jqo n ASN 67 Cb 0.03 -0.46 0.02 0.00 -1.02 0.00 0.00 39.78 38.35 2jqo n ASN 67 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2jqo n THR 68 N 0.99 0.83 -0.02 3.41 -2.24 -1.18 -4.13 114.28 111.93 2jqo n THR 68 Ca 0.21 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.75 2jqo n THR 68 Cb 0.69 -0.76 0.07 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.20 0.67 -0.13 3.42 3.58 -1.90 -2.90 116.42 119.36 2jqo h ASP 69 Ca 0.04 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2jqo h ASP 69 Cb 0.96 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2jqo h ASP 69 CO 0.08 1.03 0.00 -0.90 -2.88 0.00 0.00 179.24 176.57 2jqo n ASP 70 N -4.01 1.01 -4.63 2.28 5.75 -1.26 -4.83 116.55 110.87 2jqo n ASP 70 Ca -0.02 -1.72 -0.43 0.00 -0.01 0.00 0.00 54.79 52.61 2jqo n ASP 70 Cb 0.55 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.54 2jqo n ASP 70 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jqo s LEU 71 N -1.39 3.95 -0.10 -2.12 2.96 -1.10 -4.98 118.68 115.90 2jqo s LEU 71 Ca 0.25 1.57 -0.06 0.00 -0.22 0.00 0.00 54.13 55.68 2jqo s LEU 71 Cb 0.13 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 2jqo s LEU 71 CO 0.20 -1.14 0.13 -0.75 -1.32 0.00 0.00 176.35 173.46 2jqo s LYS 72 N 4.38 3.38 0.56 1.98 2.20 -1.26 -5.07 119.74 125.92 2jqo s LYS 72 Ca 0.66 -0.19 -0.18 0.00 -0.36 0.00 0.00 55.97 55.90 2jqo s LYS 72 Cb -0.23 -3.13 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2jqo s LYS 72 CO 0.26 0.76 1.08 1.03 -0.36 0.00 0.00 175.35 178.11 2jqo s ARG 73 N -1.14 3.37 -0.38 4.03 0.52 -1.26 -4.06 118.95 120.03 2jqo s ARG 73 Ca 0.16 1.36 -0.02 0.00 -0.52 0.00 0.00 55.73 56.71 2jqo s ARG 73 Cb -0.12 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.32 2jqo s ARG 73 CO 0.06 -0.79 0.33 0.41 0.02 0.00 0.00 175.30 175.33 2jqo n GLY 74 N -0.48 0.48 0.00 -3.53 0.00 0.12 -5.01 105.19 96.78 2jqo n GLY 74 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2jqo n GLY 74 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jqo n GLU 75 N -1.80 0.00 -3.85 1.61 4.07 -1.04 -4.99 120.64 114.63 2jqo n GLU 75 Ca -0.01 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.97 2jqo n GLU 75 Cb 0.52 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.79 2jqo n GLU 75 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 2jqo s LYS 76 N -0.81 0.34 0.06 5.31 -2.85 -1.26 0.25 119.74 120.77 2jqo s LYS 76 Ca 0.00 -0.13 0.02 0.00 -1.00 0.00 0.00 55.97 54.86 2jqo s LYS 76 Cb 0.00 0.15 -0.03 0.00 -2.06 0.00 0.00 37.83 35.89 2jqo s LYS 76 CO 0.00 -0.07 -0.08 0.96 0.10 0.00 0.00 175.35 176.26 2jqo s ILE 77 N -0.73 0.63 -0.41 3.79 -4.36 -0.04 -1.85 121.20 118.22 2jqo s ILE 77 Ca -0.08 -1.28 -0.11 0.00 -0.26 0.00 0.00 60.65 58.92 2jqo s ILE 77 Cb -0.05 -0.87 0.06 0.00 1.25 0.00 0.00 42.46 42.85 2jqo s ILE 77 CO 0.01 -0.47 0.26 -0.75 0.24 0.00 0.00 174.94 174.23 2jqo s LYS 78 N -2.06 2.74 0.17 0.37 2.20 -0.15 -1.36 119.74 121.65 2jqo s LYS 78 Ca -0.05 -1.31 0.05 0.00 -0.36 0.00 0.00 55.97 54.29 2jqo s LYS 78 Cb -0.07 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 2jqo s LYS 78 CO -0.00 -0.88 0.19 0.14 -0.36 0.00 0.00 175.35 174.44 2jqo s VAL 79 N 1.50 4.74 -0.29 4.02 -7.23 0.11 0.40 120.40 123.65 2jqo s VAL 79 Ca 0.03 -1.00 -0.03 0.00 -1.81 0.00 0.00 61.98 59.17 2jqo s VAL 79 Cb -0.22 -3.45 0.04 0.00 0.56 0.00 0.00 36.38 33.31 2jqo s VAL 79 CO 0.04 -0.13 0.01 0.26 -0.31 0.00 0.00 175.10 174.97 2jqo s TRP 80 N -1.79 3.21 0.32 2.82 0.51 0.40 0.30 118.94 124.70 2jqo s TRP 80 Ca 0.32 -1.65 0.09 0.00 -2.12 0.00 0.00 56.10 52.75 2jqo s TRP 80 Cb -0.10 -2.13 -0.05 0.00 -0.81 0.00 0.00 33.47 30.37 2jqo s TRP 80 CO 0.25 -0.75 0.00 -0.59 -0.51 0.00 0.00 176.95 175.35 2jqo s PHE 81 N 1.32 2.57 0.19 -1.98 -0.71 -0.98 -1.18 117.98 117.20 2jqo s PHE 81 Ca -0.03 -0.39 0.00 0.00 -1.04 0.00 0.00 56.93 55.48 2jqo s PHE 81 Cb -0.19 -1.41 0.00 0.00 -1.21 0.00 0.00 43.02 40.21 2jqo s PHE 81 CO -0.01 0.51 0.00 0.72 -1.34 0.00 0.00 175.22 175.10 2jqo n HIS 82 N -0.94 -1.26 -3.43 3.49 8.25 -1.17 -3.21 115.22 116.95 2jqo n HIS 82 Ca -0.04 0.22 -0.38 0.00 -0.26 0.00 0.00 57.72 57.26 2jqo n HIS 82 Cb 0.61 0.31 -0.06 0.00 1.12 0.00 0.00 29.99 31.97 2jqo n HIS 82 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2jqo s THR 83 N -1.92 5.17 -0.23 1.59 -4.23 -1.26 -5.00 115.64 109.77 2jqo s THR 83 Ca 0.00 0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 61.31 2jqo s THR 83 Cb 0.00 -3.73 0.02 0.00 1.34 0.00 0.00 72.50 70.13 2jqo s THR 83 CO 0.00 0.43 -0.09 -0.60 -0.54 0.00 0.00 174.62 173.81 2jqo s ARG 84 N 0.01 2.96 0.04 3.99 3.52 -1.26 -1.49 118.95 126.72 2jqo s ARG 84 Ca 0.23 -0.89 -0.24 0.00 -0.13 0.00 0.00 55.73 54.71 2jqo s ARG 84 Cb -0.15 -2.89 -0.06 0.00 -1.56 0.00 0.00 34.95 30.30 2jqo s ARG 84 CO 0.10 -0.32 0.71 0.15 -0.81 0.00 0.00 175.30 175.13 2jqo s LYS 85 N 1.34 4.44 -0.45 5.12 1.02 0.24 -4.90 119.74 126.55 2jqo s LYS 85 Ca 0.02 0.97 -0.02 0.00 0.02 0.00 0.00 55.97 56.96 2jqo s LYS 85 Cb -0.15 -3.35 0.24 0.00 -0.52 0.00 0.00 37.83 34.05 2jqo s LYS 85 CO -0.06 0.34 2.18 0.39 -0.92 0.00 0.00 175.35 177.27 2jqo n GLU 86 N 2.65 2.17 0.11 1.68 1.02 -1.26 -0.78 120.64 126.23 2jqo n GLU 86 Ca -0.04 -2.20 -0.01 0.00 -0.02 0.00 0.00 57.16 54.89 2jqo n GLU 86 Cb 0.50 -1.90 0.25 0.00 -0.02 0.00 0.00 31.44 30.27 2jqo n GLU 86 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jqo h SER 87 N 1.98 0.19 -4.51 1.62 0.87 -1.93 -3.48 113.55 108.28 2jqo h SER 87 Ca 0.40 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.89 2jqo h SER 87 Cb 0.80 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.63 2jqo h SER 87 CO 1.00 0.58 -1.16 -3.20 -0.53 0.00 0.00 176.83 173.52 2jqo n ASN 88 N -4.04 -2.35 -4.74 6.23 5.15 -1.26 -4.90 115.26 109.35 2jqo n ASN 88 Ca -0.01 1.16 -0.35 0.00 -0.60 0.00 0.00 54.58 54.78 2jqo n ASN 88 Cb 0.46 -4.37 0.07 0.00 -0.53 0.00 0.00 39.78 35.41 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2jqo s PRO 89 N -0.78 2.50 0.17 1.20 0.02 -1.26 -5.08 135.00 131.76 2jqo s PRO 89 Ca -0.18 1.82 -0.34 0.00 0.02 0.00 0.00 61.00 62.33 2jqo s PRO 89 Cb 0.01 -1.87 -0.14 0.00 0.02 0.00 0.00 34.50 32.53 2jqo s PRO 89 CO 0.48 -1.57 1.59 -2.30 -0.33 0.00 0.00 177.00 174.87 2jqo n PRO 90 N -2.21 2.23 -3.69 5.54 -0.02 -1.26 -4.70 135.00 130.89 2jqo n PRO 90 Ca 0.14 0.80 -0.38 0.00 -2.02 0.00 0.00 63.50 62.04 2jqo n PRO 90 Cb 0.50 -2.58 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 2jqo n PRO 90 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jqo s SER 91 N 0.93 5.40 -0.31 2.55 0.01 0.04 -1.66 113.70 120.67 2jqo s SER 91 Ca 0.78 -0.52 -0.10 0.00 1.31 0.00 0.00 55.95 57.42 2jqo s SER 91 Cb -0.66 -1.96 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 2jqo s SER 91 CO 0.37 -0.17 0.15 0.00 0.41 0.00 0.00 173.24 174.00 2jqo s ALA 92 N 1.59 3.29 -0.32 1.44 0.00 -0.77 0.80 121.76 127.79 2jqo s ALA 92 Ca 0.04 -1.36 -0.29 0.00 0.00 0.00 0.00 51.96 50.35 2jqo s ALA 92 Cb -0.17 -2.38 0.01 0.00 0.00 0.00 0.00 23.12 20.58 2jqo s ALA 92 CO 0.05 -0.86 1.25 0.99 0.00 0.00 0.00 175.76 177.19 2jqo s THR 93 N 1.62 4.20 -0.07 0.00 2.01 -0.56 0.03 115.64 122.87 2jqo s THR 93 Ca 0.05 1.34 -0.11 0.00 0.31 0.00 0.00 61.69 63.28 2jqo s THR 93 Cb -0.17 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 2jqo s THR 93 CO 0.06 -0.53 0.27 0.27 -0.69 0.00 0.00 174.62 174.00 2jqo s ILE 94 N 4.31 5.27 -0.10 1.82 -4.36 -1.09 -3.02 121.20 124.03 2jqo s ILE 94 Ca 0.54 0.52 0.15 0.00 -0.26 0.00 0.00 60.65 61.60 2jqo s ILE 94 Cb -0.15 -3.56 -0.22 0.00 1.25 0.00 0.00 42.46 39.78 2jqo s ILE 94 CO 0.23 0.58 0.18 0.00 0.24 0.00 0.00 174.94 176.17 2jqo n GLN 95 N 2.06 1.08 -3.92 0.37 6.02 -0.33 -4.25 117.38 118.41 2jqo n GLN 95 Ca -0.17 -0.07 -0.09 0.00 -0.01 0.00 0.00 57.00 56.66 2jqo n GLN 95 Cb 0.53 -1.40 -0.07 0.00 1.02 0.00 0.00 30.24 30.33 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 -2.70 1.07 -0.07 -1.09 1.02 -1.18 -4.85 119.74 111.95 2jqo s LYS 96 Ca -0.07 -1.10 -0.31 0.00 0.02 0.00 0.00 55.97 54.52 2jqo s LYS 96 Cb 0.07 0.37 0.08 0.00 -0.52 0.00 0.00 37.83 37.84 2jqo s LYS 96 CO 0.66 -0.38 0.75 1.52 -0.92 0.00 0.00 175.35 176.97 2jqo s TYR 97 N -3.93 -0.59 -0.18 3.18 1.13 -1.26 -0.46 117.35 115.24 2jqo s TYR 97 Ca 0.13 0.99 -0.01 0.00 -1.41 0.00 0.00 57.07 56.77 2jqo s TYR 97 Cb 0.04 0.42 -0.00 0.00 -1.10 0.00 0.00 41.96 41.32 2jqo s TYR 97 CO -0.03 -0.56 -0.11 -1.21 -2.51 0.00 0.00 175.55 171.13 2jqo s GLU 98 N -1.25 3.28 -0.39 -3.49 2.02 0.16 -4.97 118.70 114.05 2jqo s GLU 98 Ca -0.09 -0.70 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 2jqo s GLU 98 Cb -0.00 -2.78 0.01 0.00 0.10 0.00 0.00 34.13 31.46 2jqo s GLU 98 CO 0.07 -0.07 1.38 -1.17 0.02 0.00 0.00 175.26 175.49 2jqo s LEU 99 N 1.08 3.64 -0.49 1.80 2.96 -1.26 -0.98 118.68 125.43 2jqo s LEU 99 Ca 0.00 0.88 -0.21 0.00 -0.22 0.00 0.00 54.13 54.58 2jqo s LEU 99 Cb -0.15 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.05 2jqo s LEU 99 CO -0.03 -1.36 0.71 -0.76 -1.32 0.00 0.00 176.35 173.58 2jqo s LEU 100 N 5.20 4.59 0.15 -0.68 1.43 -0.77 -4.99 118.68 123.61 2jqo s LEU 100 Ca 0.60 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 2jqo s LEU 100 Cb -0.14 -2.64 -0.07 0.00 0.03 0.00 0.00 46.19 43.37 2jqo s LEU 100 CO 0.31 -0.93 0.54 -0.76 0.23 0.00 0.00 176.35 175.74 2jqo s LEU 101 N 3.00 4.33 -0.11 1.79 1.43 -1.26 -4.15 118.68 123.70 2jqo s LEU 101 Ca 0.21 1.05 -0.15 0.00 -1.03 0.00 0.00 54.13 54.21 2jqo s LEU 101 Cb -0.16 -3.28 -0.27 0.00 0.03 0.00 0.00 46.19 42.51 2jqo s LEU 101 CO 0.16 0.09 0.52 -0.33 0.23 0.00 0.00 176.35 177.02 2jqo h GLU 102 N 3.49 0.24 -5.46 1.70 4.39 -1.96 -3.46 114.58 113.51 2jqo h GLU 102 Ca -0.48 -0.40 -0.62 0.00 0.34 0.00 0.00 59.36 58.19 2jqo h GLU 102 Cb 1.19 0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 29.89 2jqo h GLU 102 CO 0.66 1.19 -0.44 -1.58 -1.16 0.00 0.00 179.01 177.68 2jqo s HIS 103 N -2.48 3.49 -0.04 4.33 2.46 -1.26 -5.08 115.29 116.71 2jqo s HIS 103 Ca -0.21 0.47 0.02 0.00 0.47 0.00 0.00 55.06 55.82 2jqo s HIS 103 Cb 0.05 -2.13 0.01 0.00 -0.13 0.00 0.00 32.58 30.37 2jqo s HIS 103 CO 0.76 0.44 -0.08 -1.58 -2.47 0.00 0.00 174.74 171.80 2jqo s HIS 104 N -0.12 0.96 0.73 3.88 2.46 -1.26 -5.15 115.29 116.79 2jqo s HIS 104 Ca 0.12 -0.27 -0.07 0.00 0.47 0.00 0.00 55.06 55.31 2jqo s HIS 104 Cb -0.12 -0.72 0.08 0.00 -0.13 0.00 0.00 32.58 31.68 2jqo s HIS 104 CO 0.02 -0.15 1.05 -1.01 -2.47 0.00 0.00 174.74 172.18 2jqo s HIS 105 N 0.44 2.75 -1.30 3.88 3.76 -1.26 -4.98 115.29 118.59 2jqo s HIS 105 Ca -0.07 0.41 0.27 0.00 -0.15 0.00 0.00 55.06 55.52 2jqo s HIS 105 Cb -0.11 -3.27 0.86 0.00 1.11 0.00 0.00 32.58 31.17 2jqo s HIS 105 CO 0.01 -1.54 1.65 0.72 -0.85 0.00 0.00 174.74 174.73 2jqo n HIS 106 N -3.00 0.00 -0.83 1.40 8.25 -1.26 -2.35 115.22 117.44 2jqo n HIS 106 Ca 0.09 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.62 2jqo n HIS 106 Cb 0.60 -0.26 0.40 0.00 1.12 0.00 0.00 29.99 31.85 2jqo n HIS 106 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jqo n HIS 107 N -1.21 1.96 -0.03 4.41 8.25 -1.26 -5.39 115.22 121.94 2jqo n HIS 107 Ca 0.09 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.86 2jqo n HIS 107 Cb 0.32 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.98 2jqo n HIS 107 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59