#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 -5.55 0.02 7.83 4.13 -1.26 -5.03 115.26 115.39 2jqo n ASN 2 Ca 0.00 0.49 0.00 0.00 1.68 0.00 0.00 54.58 56.75 2jqo n ASN 2 Cb 0.00 -2.89 0.00 0.00 -1.54 0.00 0.00 39.78 35.35 2jqo n ASN 2 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2jqo n LYS 3 N -3.32 0.00 -3.26 3.52 4.81 -1.26 -5.08 118.16 113.56 2jqo n LYS 3 Ca -0.01 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 2jqo n LYS 3 Cb 0.43 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.42 2jqo n LYS 3 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2jqo s ASN 4 N -2.00 6.92 0.23 3.14 2.47 -1.26 -5.00 114.94 119.44 2jqo s ASN 4 Ca 0.00 1.09 -0.06 0.00 0.42 0.00 0.00 52.86 54.31 2jqo s ASN 4 Cb 0.00 -2.34 0.35 0.00 -1.45 0.00 0.00 41.25 37.81 2jqo s ASN 4 CO 0.00 0.13 1.79 -0.33 -3.72 0.00 0.00 177.10 174.97 2jqo h GLU 5 N 5.59 0.63 -0.58 0.43 4.39 -1.98 -1.68 114.58 121.38 2jqo h GLU 5 Ca -0.46 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2jqo h GLU 5 Cb 1.20 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2jqo h GLU 5 CO 0.69 0.42 0.00 1.04 -1.16 0.00 0.00 179.01 180.00 2jqo n GLN 6 N -4.83 1.68 -0.35 2.33 6.02 -1.26 -2.79 117.38 118.18 2jqo n GLN 6 Ca 0.12 -0.68 0.09 0.00 -0.01 0.00 0.00 57.00 56.52 2jqo n GLN 6 Cb 0.27 -1.44 0.23 0.00 1.02 0.00 0.00 30.24 30.32 2jqo n GLN 6 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2jqo n ASN 7 N 0.08 3.47 0.00 1.08 5.03 -0.63 -4.49 115.26 119.80 2jqo n ASN 7 Ca 0.06 -3.05 0.00 0.00 0.87 0.00 0.00 54.58 52.46 2jqo n ASN 7 Cb 0.33 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 2jqo n ASN 7 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jqo n GLY 8 N -0.76 -0.81 0.00 7.41 0.00 -1.12 -4.75 105.19 105.16 2jqo n GLY 8 Ca 0.20 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.61 2jqo n GLY 8 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jqo n ASP 9 N 0.00 0.00 -0.48 1.61 2.03 -1.22 -5.00 116.55 113.48 2jqo n ASP 9 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 2jqo n ASP 9 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2jqo n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jqo n GLU 10 N -0.68 -0.66 -2.67 -0.67 -0.58 -1.26 -4.98 120.64 109.15 2jqo n GLU 10 Ca 0.00 0.64 -0.43 0.00 -0.42 0.00 0.00 57.16 56.95 2jqo n GLU 10 Cb 0.00 -4.44 -0.02 0.00 -0.57 0.00 0.00 31.44 26.41 2jqo n GLU 10 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2jqo s THR 11 N -2.12 4.40 0.14 2.62 2.01 -1.26 -5.03 115.64 116.40 2jqo s THR 11 Ca 0.00 1.37 0.01 0.00 0.31 0.00 0.00 61.69 63.38 2jqo s THR 11 Cb 0.00 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 2jqo s THR 11 CO 0.00 -0.72 0.29 -0.54 -0.69 0.00 0.00 174.62 172.96 2jqo s LYS 12 N 3.95 3.46 0.11 4.92 1.02 -1.26 -4.82 119.74 127.12 2jqo s LYS 12 Ca 0.45 -0.49 0.06 0.00 0.02 0.00 0.00 55.97 56.00 2jqo s LYS 12 Cb -0.10 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 2jqo s LYS 12 CO 0.23 0.52 -0.01 -1.64 -0.92 0.00 0.00 175.35 173.53 2jqo s MET 13 N -3.06 2.46 0.07 1.68 -1.94 -1.26 -4.75 119.30 112.50 2jqo s MET 13 Ca 0.36 -0.92 -0.20 0.00 -1.71 0.00 0.00 55.69 53.21 2jqo s MET 13 Cb -0.12 -2.47 -0.07 0.00 2.01 0.00 0.00 34.83 34.19 2jqo s MET 13 CO 0.28 0.52 0.60 -1.14 -0.01 0.00 0.00 175.02 175.27 2jqo s GLN 14 N -2.44 4.27 -0.18 2.03 0.74 0.72 -4.75 119.66 120.05 2jqo s GLN 14 Ca 0.25 0.79 -0.21 0.00 0.05 0.00 0.00 55.36 56.24 2jqo s GLN 14 Cb -0.11 -3.26 -0.03 0.00 1.10 0.00 0.00 33.01 30.71 2jqo s GLN 14 CO 0.18 0.58 0.64 0.45 -0.55 0.00 0.00 175.29 176.59 2jqo s SER 15 N -0.95 6.73 -0.10 6.67 0.15 -1.26 -2.37 113.70 122.57 2jqo s SER 15 Ca 0.30 0.88 0.02 0.00 0.70 0.00 0.00 55.95 57.85 2jqo s SER 15 Cb -0.20 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 61.77 2jqo s SER 15 CO 0.20 -0.25 -0.14 -0.22 1.20 0.00 0.00 173.24 174.03 2jqo s LEU 16 N 1.73 1.64 -0.25 3.45 0.20 0.44 -4.97 118.68 120.94 2jqo s LEU 16 Ca 0.30 -0.39 -0.08 0.00 0.69 0.00 0.00 54.13 54.65 2jqo s LEU 16 Cb -0.16 -1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 44.55 2jqo s LEU 16 CO 0.11 0.00 0.08 -0.69 -0.29 0.00 0.00 176.35 175.56 2jqo s VAL 17 N 1.02 4.45 0.29 1.68 1.01 -1.26 0.23 120.40 127.82 2jqo s VAL 17 Ca -0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 2jqo s VAL 17 Cb -0.15 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 2jqo s VAL 17 CO -0.02 0.34 0.44 -0.83 0.00 0.00 0.00 175.10 175.03 2jqo s GLY 18 N 1.52 1.13 -0.14 4.51 0.00 -0.75 -4.89 107.32 108.70 2jqo s GLY 18 Ca 0.06 -1.30 -0.06 0.00 0.00 0.00 0.00 44.72 43.41 2jqo s GLY 18 CO 0.04 -0.90 0.10 -0.19 0.00 0.00 0.00 173.10 172.14 2jqo s TYR 19 N -3.51 3.42 -0.57 1.90 2.02 -1.19 -1.81 117.35 117.61 2jqo s TYR 19 Ca 0.28 0.35 -0.21 0.00 -0.37 0.00 0.00 57.07 57.12 2jqo s TYR 19 Cb 0.00 -1.97 0.07 0.00 -0.40 0.00 0.00 41.96 39.67 2jqo s TYR 19 CO 0.15 0.51 0.78 0.08 -1.57 0.00 0.00 175.55 175.50 2jqo s VAL 20 N -0.53 4.65 -0.23 0.71 1.01 0.11 -1.56 120.40 124.55 2jqo s VAL 20 Ca 0.11 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.71 2jqo s VAL 20 Cb -0.12 -4.48 -0.20 0.00 0.00 0.00 0.00 36.38 31.57 2jqo s VAL 20 CO 0.02 -1.10 -0.10 1.33 0.00 0.00 0.00 175.10 175.25 2jqo n VAL 21 N 5.77 1.43 -4.60 2.92 0.24 -1.12 0.63 118.33 123.60 2jqo n VAL 21 Ca -0.05 -0.69 -0.22 0.00 -2.04 0.00 0.00 64.34 61.34 2jqo n VAL 21 Cb 0.45 -0.99 -0.15 0.00 -1.47 0.00 0.00 33.84 31.67 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 -6.05 1.96 -0.14 1.34 1.43 -1.04 -4.53 118.68 111.65 2jqo s LEU 22 Ca -0.24 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 2jqo s LEU 22 Cb 0.08 -0.70 0.06 0.00 0.03 0.00 0.00 46.19 45.65 2jqo s LEU 22 CO 0.69 0.14 0.32 -0.75 0.23 0.00 0.00 176.35 176.99 2jqo s LYS 23 N -0.16 0.27 0.00 1.70 2.20 -1.26 0.23 119.74 122.72 2jqo s LYS 23 Ca 0.02 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 2jqo s LYS 23 Cb -0.07 -0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 2jqo s LYS 23 CO 0.00 -0.18 0.00 -0.40 -0.36 0.00 0.00 175.35 174.41 2jqo n ASP 24 N 4.48 0.00 0.06 1.43 5.68 -0.91 -5.04 116.55 122.25 2jqo n ASP 24 Ca -0.21 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.08 2jqo n ASP 24 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 2jqo n ASP 24 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2jqo n ASN 25 N -1.30 -0.39 0.09 -1.12 2.85 -1.26 -4.92 115.26 109.22 2jqo n ASN 25 Ca 0.00 0.21 0.12 0.00 -0.11 0.00 0.00 54.58 54.79 2jqo n ASN 25 Cb 0.00 0.50 0.03 0.00 1.24 0.00 0.00 39.78 41.55 2jqo n ASN 25 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2jqo h GLU 26 N 0.00 0.00 -6.62 1.20 5.08 -1.96 -3.47 114.58 108.81 2jqo h GLU 26 Ca 0.00 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.66 2jqo h GLU 26 Cb 0.00 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 28.95 2jqo h GLU 26 CO 0.00 0.00 -0.89 1.03 -1.00 0.00 0.00 179.01 178.15 2jqo s ARG 27 N -3.32 2.10 -0.19 2.33 0.52 -1.26 0.22 118.95 119.35 2jqo s ARG 27 Ca 0.01 -0.94 0.01 0.00 -0.52 0.00 0.00 55.73 54.29 2jqo s ARG 27 Cb 0.10 -2.04 0.03 0.00 0.52 0.00 0.00 34.95 33.57 2jqo s ARG 27 CO 0.78 0.56 -0.16 0.00 0.02 0.00 0.00 175.30 176.50 2jqo s ALA 28 N -0.62 2.21 -0.53 2.13 0.00 -0.47 -2.14 121.76 122.35 2jqo s ALA 28 Ca 0.10 -1.23 -0.23 0.00 0.00 0.00 0.00 51.96 50.61 2jqo s ALA 28 Cb -0.10 -1.23 0.05 0.00 0.00 0.00 0.00 23.12 21.84 2jqo s ALA 28 CO -0.01 -0.55 0.85 0.42 0.00 0.00 0.00 175.76 176.47 2jqo s ILE 29 N 1.32 4.54 0.21 0.00 1.01 0.14 -0.23 121.20 128.18 2jqo s ILE 29 Ca 0.02 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.81 2jqo s ILE 29 Cb -0.14 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 2jqo s ILE 29 CO -0.11 -1.01 0.15 -0.76 0.00 0.00 0.00 174.94 173.22 2jqo s LEU 30 N 3.55 3.75 -0.26 2.97 1.43 0.80 -2.49 118.68 128.43 2jqo s LEU 30 Ca 0.26 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.04 2jqo s LEU 30 Cb -0.14 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 2jqo s LEU 30 CO 0.17 0.01 0.12 -0.63 0.23 0.00 0.00 176.35 176.26 2jqo s ILE 31 N -1.96 4.75 0.27 -0.59 1.01 -0.60 0.26 121.20 124.34 2jqo s ILE 31 Ca 0.32 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 61.01 2jqo s ILE 31 Cb -0.09 -3.24 -0.00 0.00 0.01 0.00 0.00 42.46 39.14 2jqo s ILE 31 CO 0.24 0.31 1.64 0.74 0.00 0.00 0.00 174.94 177.87 2jqo h THR 32 N 5.44 1.36 -3.40 2.92 2.02 -1.51 -3.14 112.91 116.59 2jqo h THR 32 Ca -0.37 -1.80 -0.54 0.00 0.77 0.00 0.00 66.41 64.47 2jqo h THR 32 Cb 1.18 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 69.48 2jqo h THR 32 CO 0.57 0.53 0.38 -0.62 0.37 0.00 0.00 175.52 176.76 2jqo s ASP 33 N -6.88 7.36 -1.25 4.18 2.15 -1.17 -4.89 116.67 116.17 2jqo s ASP 33 Ca -0.03 1.70 -0.20 0.00 0.43 0.00 0.00 52.55 54.45 2jqo s ASP 33 Cb 0.13 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2jqo s ASP 33 CO 0.78 -0.26 1.84 0.35 -0.17 0.00 0.00 175.17 177.71 2jqo n THR 34 N 3.83 3.11 -3.84 1.71 -2.24 -1.26 -4.84 114.28 110.75 2jqo n THR 34 Ca 0.06 -3.19 -0.12 0.00 -2.27 0.00 0.00 64.05 58.53 2jqo n THR 34 Cb 0.51 -2.30 -0.11 0.00 -2.10 0.00 0.00 70.33 66.33 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 5.00 0.35 -0.26 -0.78 2.20 -1.26 -5.13 119.74 119.86 2jqo s LYS 35 Ca 0.59 -0.06 -0.20 0.00 -0.36 0.00 0.00 55.97 55.93 2jqo s LYS 35 Cb 0.03 0.15 -0.02 0.00 -1.51 0.00 0.00 37.83 36.49 2jqo s LYS 35 CO 0.09 -0.07 0.63 0.00 -0.36 0.00 0.00 175.35 175.64 2jqo s ALA 36 N -0.63 3.60 0.00 3.13 0.00 -1.26 -4.96 121.76 121.64 2jqo s ALA 36 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2jqo s ALA 36 Cb -0.04 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2jqo s ALA 36 CO 0.01 -0.85 0.92 -2.30 0.00 0.00 0.00 175.76 173.54 2jqo n PRO 37 N 5.74 0.00 0.00 0.00 -0.02 -1.26 -5.02 135.00 134.44 2jqo n PRO 37 Ca -0.01 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2jqo n PRO 37 Cb 0.49 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 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 -0.94 2.88 0.32 -1.23 0.00 -1.26 -4.83 105.19 100.12 2jqo n GLY 38 Ca 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 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 1.10 -0.37 1.61 3.64 -2.00 -2.20 116.57 118.34 2jqo h LYS 39 Ca 0.00 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 2jqo h LYS 39 Cb 0.00 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 2jqo h LYS 39 CO 0.00 0.84 -0.23 0.93 -2.27 0.00 0.00 179.45 178.72 2jqo h GLU 40 N 1.08 0.73 -0.41 1.90 5.08 -2.00 -3.08 114.58 117.89 2jqo h GLU 40 Ca 0.27 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2jqo h GLU 40 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2jqo h GLU 40 CO -0.04 0.89 0.12 -0.44 -1.00 0.00 0.00 179.01 178.54 2jqo h ASP 41 N 0.64 0.54 0.84 1.42 5.19 -1.73 0.86 116.42 124.17 2jqo h ASP 41 Ca 0.09 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2jqo h ASP 41 Cb 0.72 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2jqo h ASP 41 CO 0.06 0.53 0.00 -1.22 -3.12 0.00 0.00 179.24 175.48 2jqo n TYR 42 N -4.34 0.38 0.03 4.55 4.01 -0.99 -2.49 117.16 118.31 2jqo n TYR 42 Ca 0.03 0.13 0.04 0.00 -0.16 0.00 0.00 57.90 57.93 2jqo n TYR 42 Cb 0.18 -0.71 -0.09 0.00 -0.31 0.00 0.00 39.34 38.40 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 -1.83 0.59 -4.78 7.72 3.02 0.20 -4.94 115.26 115.25 2jqo n ASN 43 Ca 0.04 0.25 -0.34 0.00 -0.03 0.00 0.00 54.58 54.51 2jqo n ASN 43 Cb 0.27 0.67 0.02 0.00 -0.61 0.00 0.00 39.78 40.13 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 -5.41 3.56 0.65 3.41 1.43 -0.64 -5.01 118.68 116.66 2jqo s LEU 44 Ca -0.04 2.04 -0.14 0.00 -1.03 0.00 0.00 54.13 54.95 2jqo s LEU 44 Cb 0.10 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.75 2jqo s LEU 44 CO 0.83 -1.38 1.09 -0.44 0.23 0.00 0.00 176.35 176.67 2jqo s SER 45 N -2.28 5.29 0.18 2.29 0.01 -1.26 -4.82 113.70 113.11 2jqo s SER 45 Ca 0.69 1.89 -0.16 0.00 1.31 0.00 0.00 55.95 59.68 2jqo s SER 45 Cb -0.21 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.62 2jqo s SER 45 CO 0.35 -1.50 1.66 -0.33 0.41 0.00 0.00 173.24 173.82 2jqo h GLU 46 N -0.01 0.02 -0.68 12.44 3.07 -1.95 -0.39 114.58 127.08 2jqo h GLU 46 Ca -0.46 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.44 2jqo h GLU 46 Cb 1.23 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.10 2jqo h GLU 46 CO 0.55 0.02 0.45 0.78 -1.40 0.00 0.00 179.01 179.41 2jqo h GLY 47 N 0.02 0.91 1.23 -3.84 0.00 -1.98 0.21 103.07 99.62 2jqo h GLY 47 Ca 0.22 -0.30 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 2jqo h GLY 47 CO -0.45 0.25 -0.46 1.46 0.00 0.00 0.00 176.54 177.33 2jqo h GLN 48 N 0.76 0.83 -0.38 4.80 4.20 -1.50 -1.72 115.11 122.10 2jqo h GLN 48 Ca 0.28 -0.47 -0.13 0.00 0.06 0.00 0.00 58.65 58.39 2jqo h GLN 48 Cb 0.16 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2jqo h GLN 48 CO -0.09 1.11 -0.30 1.25 -0.67 0.00 0.00 178.83 180.14 2jqo h LEU 49 N 0.66 0.86 -1.36 1.46 5.85 -0.20 -2.02 115.31 120.56 2jqo h LEU 49 Ca 0.04 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 2jqo h LEU 49 Cb 1.05 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2jqo h LEU 49 CO 0.10 1.09 -0.01 0.24 -0.34 0.00 0.00 178.44 179.53 2jqo h MET 50 N 0.70 0.42 -0.31 1.25 2.86 -0.50 -0.72 114.93 118.63 2jqo h MET 50 Ca 0.08 -0.08 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 2jqo h MET 50 Cb 0.84 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 2jqo h MET 50 CO 0.07 0.45 -0.44 -0.97 1.06 0.00 0.00 176.91 177.09 2jqo h ASN 51 N 0.40 0.84 0.09 1.22 -1.24 -0.96 -2.17 115.58 113.77 2jqo h ASN 51 Ca 0.09 -0.40 -0.00 0.00 0.71 0.00 0.00 56.30 56.70 2jqo h ASN 51 Cb 0.28 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.09 2jqo h ASN 51 CO 0.01 1.15 -0.05 0.50 -1.29 0.00 0.00 177.43 177.76 2jqo h LYS 52 N 0.63 -0.12 -1.14 6.67 3.64 -0.81 -3.22 116.57 122.21 2jqo h LYS 52 Ca 0.04 0.01 -0.51 0.00 -1.27 0.00 0.00 60.65 58.92 2jqo h LYS 52 Cb 1.00 0.03 -0.24 0.00 -0.41 0.00 0.00 32.23 32.61 2jqo h LYS 52 CO 0.10 0.38 0.66 1.19 -2.27 0.00 0.00 179.45 179.50 2jqo n PHE 53 N -4.88 2.57 -0.29 1.91 3.72 -0.33 -4.76 117.46 115.39 2jqo n PHE 53 Ca -0.08 -2.33 0.04 0.00 -0.05 0.00 0.00 57.45 55.02 2jqo n PHE 53 Cb 0.28 -1.14 0.12 0.00 -0.94 0.00 0.00 39.48 37.80 2jqo n PHE 53 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2jqo h LYS 54 N 1.51 0.01 -0.36 -1.08 3.64 -1.40 0.31 116.57 119.20 2jqo h LYS 54 Ca 0.50 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 2jqo h LYS 54 Cb 1.33 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2jqo h LYS 54 CO 1.17 0.01 0.00 0.09 -2.27 0.00 0.00 179.45 178.45 2jqo n ASN 55 N -5.52 2.98 -0.11 4.20 4.13 -1.26 -4.32 115.26 115.37 2jqo n ASN 55 Ca 0.13 -1.93 0.06 0.00 1.68 0.00 0.00 54.58 54.52 2jqo n ASN 55 Cb 0.45 -0.24 0.10 0.00 -1.54 0.00 0.00 39.78 38.55 2jqo n ASN 55 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jqo n ASN 56 N 0.75 2.33 -4.23 6.41 3.02 -0.01 -5.03 115.26 118.51 2jqo n ASN 56 Ca 0.13 -2.67 -0.23 0.00 -0.03 0.00 0.00 54.58 51.77 2jqo n ASN 56 Cb 0.45 -0.28 -0.13 0.00 -0.61 0.00 0.00 39.78 39.20 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 -2.17 1.51 -0.08 2.41 2.07 -0.55 -1.31 121.20 123.09 2jqo s ILE 57 Ca 0.21 -1.23 -0.01 0.00 -1.41 0.00 0.00 60.65 58.21 2jqo s ILE 57 Cb 0.18 -1.34 0.03 0.00 0.13 0.00 0.00 42.46 41.45 2jqo s ILE 57 CO 0.03 0.07 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.42 2jqo s VAL 58 N -0.92 0.49 -0.53 4.00 1.01 0.14 -3.76 120.40 120.82 2jqo s VAL 58 Ca 0.05 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.85 2jqo s VAL 58 Cb -0.09 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.73 2jqo s VAL 58 CO 0.02 0.27 0.81 -0.63 0.00 0.00 0.00 175.10 175.57 2jqo s ILE 59 N 1.85 4.60 0.23 2.22 1.01 0.27 -0.14 121.20 131.23 2jqo s ILE 59 Ca 0.04 -0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 2jqo s ILE 59 Cb -0.12 -4.44 -0.08 0.00 0.01 0.00 0.00 42.46 37.83 2jqo s ILE 59 CO -0.05 -0.99 0.67 0.68 0.00 0.00 0.00 174.94 175.25 2jqo s VAL 60 N 3.38 4.69 -0.30 2.92 -7.23 0.67 -1.69 120.40 122.85 2jqo s VAL 60 Ca 0.23 1.03 -0.19 0.00 -1.81 0.00 0.00 61.98 61.24 2jqo s VAL 60 Cb -0.16 -3.75 -0.01 0.00 0.56 0.00 0.00 36.38 33.02 2jqo s VAL 60 CO 0.16 0.11 0.58 -0.83 -0.31 0.00 0.00 175.10 174.80 2jqo s GLY 61 N -1.86 1.80 0.00 2.32 0.00 0.14 -1.36 107.32 108.36 2jqo s GLY 61 Ca 0.45 -0.69 0.20 0.00 0.00 0.00 0.00 44.72 44.67 2jqo s GLY 61 CO 0.20 1.37 1.44 1.04 0.00 0.00 0.00 173.10 177.15 2jqo n LEU 62 N 5.77 2.81 0.12 0.66 4.77 0.13 -2.60 117.00 128.66 2jqo n LEU 62 Ca -0.02 -1.30 0.12 0.00 -0.03 0.00 0.00 56.01 54.78 2jqo n LEU 62 Cb 0.49 -0.27 0.63 0.00 -2.33 0.00 0.00 43.42 41.94 2jqo n LEU 62 CO 0.44 0.65 1.13 0.77 -1.33 0.00 0.00 177.39 179.05 2jqo h SER 63 N 3.37 0.07 0.24 -1.43 4.64 -1.88 -0.94 113.55 117.62 2jqo h SER 63 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2jqo h SER 63 Cb 0.76 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2jqo h SER 63 CO 0.00 0.04 -0.73 -0.33 -0.87 0.00 0.00 176.83 174.94 2jqo h GLU 64 N 0.07 0.42 -4.19 4.77 4.39 -1.80 -3.39 114.58 114.85 2jqo h GLU 64 Ca 0.13 -0.34 -0.74 0.00 0.34 0.00 0.00 59.36 58.75 2jqo h GLU 64 Cb 0.41 0.07 -0.28 0.00 -0.10 0.00 0.00 28.75 28.85 2jqo h GLU 64 CO -0.01 0.98 -0.32 0.42 -1.16 0.00 0.00 179.01 178.92 2jqo s ILE 65 N -3.62 4.54 0.17 3.13 1.01 -0.36 -4.92 121.20 121.15 2jqo s ILE 65 Ca -0.06 -1.78 0.32 0.00 0.00 0.00 0.00 60.65 59.14 2jqo s ILE 65 Cb 0.10 -3.96 0.36 0.00 0.01 0.00 0.00 42.46 38.98 2jqo s ILE 65 CO 0.84 -0.82 1.99 -2.24 0.00 0.00 0.00 174.94 174.71 2jqo h ASP 66 N 8.50 0.00 -0.88 3.58 2.03 -1.78 -3.06 116.42 124.82 2jqo h ASP 66 Ca -0.21 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.52 2jqo h ASP 66 Cb 1.08 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.32 2jqo h ASP 66 CO 0.90 0.05 0.72 -3.20 -1.03 0.00 0.00 179.24 176.68 2jqo n ASN 67 N -3.18 6.46 -0.55 4.15 5.15 -1.26 -4.51 115.26 121.52 2jqo n ASN 67 Ca 0.00 -3.57 0.02 0.00 -0.60 0.00 0.00 54.58 50.43 2jqo n ASN 67 Cb 0.31 -0.95 0.06 0.00 -0.53 0.00 0.00 39.78 38.67 2jqo n ASN 67 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2jqo n THR 68 N -0.71 0.36 0.29 -0.44 -2.24 -1.16 -3.84 114.28 106.55 2jqo n THR 68 Ca 0.55 -0.21 0.18 0.00 -2.27 0.00 0.00 64.05 62.30 2jqo n THR 68 Cb 0.87 -0.26 0.82 0.00 -2.10 0.00 0.00 70.33 69.67 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 0.70 0.00 0.66 3.42 3.58 -1.90 -1.64 116.42 121.24 2jqo h ASP 69 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2jqo h ASP 69 Cb 0.54 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2jqo h ASP 69 CO 0.05 0.02 -0.04 -0.78 -2.88 0.00 0.00 179.24 175.61 2jqo h ASP 70 N 0.00 0.00 -3.91 2.28 3.58 -1.98 -3.43 116.42 112.96 2jqo h ASP 70 Ca -0.00 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 2jqo h ASP 70 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2jqo h ASP 70 CO 0.00 0.04 0.40 -0.22 -2.88 0.00 0.00 179.24 176.58 2jqo s LEU 71 N -6.40 4.28 0.00 2.28 2.96 -0.62 -5.05 118.68 116.13 2jqo s LEU 71 Ca -0.01 2.00 0.01 0.00 -0.22 0.00 0.00 54.13 55.91 2jqo s LEU 71 Cb 0.11 -4.04 -0.00 0.00 0.50 0.00 0.00 46.19 42.75 2jqo s LEU 71 CO 0.52 -0.28 0.04 0.29 -1.32 0.00 0.00 176.35 175.61 2jqo n LYS 72 N 0.35 0.70 -3.79 1.98 5.02 -1.26 -5.10 118.16 116.06 2jqo n LYS 72 Ca 0.03 -0.89 -0.35 0.00 -2.02 0.00 0.00 58.31 55.08 2jqo n LYS 72 Cb 0.49 0.53 -0.09 0.00 -0.02 0.00 0.00 35.03 35.95 2jqo n LYS 72 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jqo s ARG 73 N -2.39 4.13 0.00 1.97 0.52 -1.26 -4.43 118.95 117.49 2jqo s ARG 73 Ca 0.06 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 2jqo s ARG 73 Cb 0.00 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 32.09 2jqo s ARG 73 CO 0.04 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.05 2jqo n GLY 74 N 3.59 1.28 3.83 -3.53 0.00 0.20 -5.01 105.19 105.55 2jqo n GLY 74 Ca -0.16 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.86 2.75 -0.24 1.61 0.41 -0.99 -4.90 118.70 115.49 2jqo s GLU 75 Ca 0.00 -1.24 0.02 0.00 -0.41 0.00 0.00 54.97 53.34 2jqo s GLU 75 Cb 0.00 -2.48 0.05 0.00 -1.78 0.00 0.00 34.13 29.92 2jqo s GLU 75 CO 0.00 0.19 -0.13 0.21 -0.49 0.00 0.00 175.26 175.05 2jqo s LYS 76 N -3.93 2.35 0.12 1.61 2.20 -1.26 0.08 119.74 120.91 2jqo s LYS 76 Ca 0.38 -1.17 0.08 0.00 -0.36 0.00 0.00 55.97 54.90 2jqo s LYS 76 Cb -0.06 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.46 2jqo s LYS 76 CO 0.26 -0.48 -0.20 0.96 -0.36 0.00 0.00 175.35 175.53 2jqo s ILE 77 N 1.18 1.74 -0.38 5.43 -4.36 -0.75 -1.77 121.20 122.30 2jqo s ILE 77 Ca -0.05 -1.68 -0.08 0.00 -0.26 0.00 0.00 60.65 58.59 2jqo s ILE 77 Cb -0.18 -1.65 0.06 0.00 1.25 0.00 0.00 42.46 41.93 2jqo s ILE 77 CO -0.07 -0.15 0.18 -0.75 0.24 0.00 0.00 174.94 174.39 2jqo s LYS 78 N -2.23 2.60 0.20 0.37 2.20 -0.08 -1.81 119.74 121.00 2jqo s LYS 78 Ca 0.10 -1.31 0.04 0.00 -0.36 0.00 0.00 55.97 54.43 2jqo s LYS 78 Cb -0.08 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 2jqo s LYS 78 CO 0.05 -0.81 0.32 0.14 -0.36 0.00 0.00 175.35 174.70 2jqo s VAL 79 N 1.42 5.25 -0.08 4.02 -7.23 0.13 -0.55 120.40 123.36 2jqo s VAL 79 Ca 0.01 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.33 2jqo s VAL 79 Cb -0.21 -3.79 0.01 0.00 0.56 0.00 0.00 36.38 32.94 2jqo s VAL 79 CO 0.03 -0.24 -0.18 0.26 -0.31 0.00 0.00 175.10 174.66 2jqo s TRP 80 N -1.89 1.98 0.14 2.82 0.51 -0.10 -0.42 118.94 121.98 2jqo s TRP 80 Ca 0.34 -0.79 -0.13 0.00 -2.12 0.00 0.00 56.10 53.40 2jqo s TRP 80 Cb -0.10 -1.38 0.02 0.00 -0.81 0.00 0.00 33.47 31.20 2jqo s TRP 80 CO 0.29 -0.36 0.34 -0.59 -0.51 0.00 0.00 176.95 176.12 2jqo s PHE 81 N 0.55 0.02 0.00 -1.98 -0.71 -1.00 -2.73 117.98 112.12 2jqo s PHE 81 Ca -0.16 -0.38 0.00 0.00 -1.04 0.00 0.00 56.93 55.35 2jqo s PHE 81 Cb -0.17 0.14 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 2jqo s PHE 81 CO 0.06 -0.70 0.00 1.58 -1.34 0.00 0.00 175.22 174.82 2jqo n HIS 82 N -0.20 0.00 -3.15 3.49 -0.00 -1.26 -0.20 115.22 113.90 2jqo n HIS 82 Ca -0.13 0.00 -0.44 0.00 0.46 0.00 0.00 57.72 57.61 2jqo n HIS 82 Cb 0.63 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.44 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 -1.58 4.87 -0.15 3.57 2.01 -1.26 -5.02 115.64 118.07 2jqo s THR 83 Ca 0.00 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.54 2jqo s THR 83 Cb 0.00 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2jqo s THR 83 CO 0.00 -0.77 0.06 -0.60 -0.69 0.00 0.00 174.62 172.62 2jqo s ARG 84 N 2.66 3.71 -0.55 4.92 3.52 -1.26 -2.54 118.95 129.41 2jqo s ARG 84 Ca 0.16 -0.33 -0.03 0.00 -0.13 0.00 0.00 55.73 55.41 2jqo s ARG 84 Cb -0.18 -3.13 0.14 0.00 -1.56 0.00 0.00 34.95 30.22 2jqo s ARG 84 CO 0.13 0.43 0.36 0.21 -0.81 0.00 0.00 175.30 175.62 2jqo s LYS 85 N -0.08 2.36 -0.91 5.12 2.20 0.46 -4.99 119.74 123.91 2jqo s LYS 85 Ca 0.07 -2.28 -0.17 0.00 -0.36 0.00 0.00 55.97 53.22 2jqo s LYS 85 Cb -0.12 -3.68 0.16 0.00 -1.51 0.00 0.00 37.83 32.68 2jqo s LYS 85 CO 0.01 -1.14 1.03 -2.00 -0.36 0.00 0.00 175.35 172.89 2jqo s GLU 86 N 0.36 3.62 0.00 4.03 2.12 -1.26 0.25 118.70 127.83 2jqo s GLU 86 Ca 0.14 -2.01 0.19 0.00 0.36 0.00 0.00 54.97 53.65 2jqo s GLU 86 Cb -0.21 -4.77 0.03 0.00 0.26 0.00 0.00 34.13 29.44 2jqo s GLU 86 CO -0.04 -1.62 1.00 0.43 -0.54 0.00 0.00 175.26 174.49 2jqo n SER 87 N 5.70 2.00 -2.44 -1.70 7.64 -1.26 -4.89 113.62 118.68 2jqo n SER 87 Ca 0.21 -1.50 -0.04 0.00 1.01 0.00 0.00 58.87 58.55 2jqo n SER 87 Cb 0.48 0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 64.02 2jqo n SER 87 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jqo n ASN 88 N 0.20 -2.25 -4.78 6.43 2.85 -1.26 -4.87 115.26 111.58 2jqo n ASN 88 Ca 0.09 1.15 -0.35 0.00 -0.11 0.00 0.00 54.58 55.35 2jqo n ASN 88 Cb 0.42 -4.59 -0.00 0.00 1.24 0.00 0.00 39.78 36.85 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2jqo s PRO 89 N -0.90 3.38 0.54 1.20 0.04 -1.26 -5.12 135.00 132.88 2jqo s PRO 89 Ca -0.18 1.58 -0.22 0.00 0.04 0.00 0.00 61.00 62.22 2jqo s PRO 89 Cb 0.01 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 2jqo s PRO 89 CO 0.67 -0.82 1.35 -2.14 0.04 0.00 0.00 177.00 176.10 2jqo s PRO 90 N -3.31 3.18 0.12 0.56 0.02 -1.25 -4.84 135.00 129.49 2jqo s PRO 90 Ca 0.72 2.22 0.04 0.00 0.02 0.00 0.00 61.00 64.00 2jqo s PRO 90 Cb -0.23 -2.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.98 2jqo s PRO 90 CO 0.27 -1.15 -0.10 -1.12 -0.33 0.00 0.00 177.00 174.57 2jqo s SER 91 N -0.96 1.63 -0.13 2.53 0.01 0.14 -0.56 113.70 116.35 2jqo s SER 91 Ca 0.71 -0.93 -0.05 0.00 1.31 0.00 0.00 55.95 56.99 2jqo s SER 91 Cb -0.40 0.00 0.06 0.00 0.21 0.00 0.00 66.02 65.89 2jqo s SER 91 CO 0.47 -0.30 0.27 0.00 0.41 0.00 0.00 173.24 174.09 2jqo s ALA 92 N -2.95 -0.60 -0.45 1.44 0.00 -0.68 -0.40 121.76 118.12 2jqo s ALA 92 Ca 0.12 0.99 -0.26 0.00 0.00 0.00 0.00 51.96 52.81 2jqo s ALA 92 Cb 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.19 2jqo s ALA 92 CO 0.00 -0.55 0.96 0.99 0.00 0.00 0.00 175.76 177.16 2jqo s THR 93 N 2.17 4.45 -0.09 0.00 2.01 -1.05 0.29 115.64 123.41 2jqo s THR 93 Ca -0.01 0.87 -0.05 0.00 0.31 0.00 0.00 61.69 62.80 2jqo s THR 93 Cb -0.12 -4.45 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 2jqo s THR 93 CO -0.09 -0.83 0.13 0.27 -0.69 0.00 0.00 174.62 173.41 2jqo s ILE 94 N 3.82 5.28 -0.10 1.82 -4.36 -1.07 -4.40 121.20 122.19 2jqo s ILE 94 Ca 0.39 0.04 0.21 0.00 -0.26 0.00 0.00 60.65 61.03 2jqo s ILE 94 Cb -0.10 -3.33 -0.23 0.00 1.25 0.00 0.00 42.46 40.05 2jqo s ILE 94 CO 0.26 0.54 0.61 0.00 0.24 0.00 0.00 174.94 176.60 2jqo n GLN 95 N 1.75 0.65 -3.60 0.37 6.02 -1.11 -4.54 117.38 116.93 2jqo n GLN 95 Ca -0.18 -0.07 -0.16 0.00 -0.01 0.00 0.00 57.00 56.58 2jqo n GLN 95 Cb 0.54 -1.62 -0.07 0.00 1.02 0.00 0.00 30.24 30.11 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 -3.35 0.91 0.39 -1.09 2.20 -1.25 -4.81 119.74 112.74 2jqo s LYS 96 Ca -0.06 0.48 0.04 0.00 -0.36 0.00 0.00 55.97 56.06 2jqo s LYS 96 Cb 0.12 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.83 2jqo s LYS 96 CO 0.87 -0.22 0.09 1.52 -0.36 0.00 0.00 175.35 177.24 2jqo s TYR 97 N -0.59 1.88 -0.10 4.03 1.13 -1.26 -0.92 117.35 121.51 2jqo s TYR 97 Ca -0.07 -1.11 -0.04 0.00 -1.41 0.00 0.00 57.07 54.45 2jqo s TYR 97 Cb -0.02 -1.27 0.05 0.00 -1.10 0.00 0.00 41.96 39.62 2jqo s TYR 97 CO 0.06 -0.11 0.17 -2.00 -2.51 0.00 0.00 175.55 171.16 2jqo s GLU 98 N -3.80 0.05 0.02 -3.49 2.12 0.29 -4.95 118.70 108.94 2jqo s GLU 98 Ca 0.27 0.51 -0.30 0.00 0.36 0.00 0.00 54.97 55.81 2jqo s GLU 98 Cb 0.05 -0.41 -0.05 0.00 0.26 0.00 0.00 34.13 33.98 2jqo s GLU 98 CO 0.14 -0.35 1.25 -1.17 -0.54 0.00 0.00 175.26 174.59 2jqo s LEU 99 N 2.30 4.34 -0.12 2.70 2.96 -1.26 -0.90 118.68 128.69 2jqo s LEU 99 Ca 0.03 2.00 -0.07 0.00 -0.22 0.00 0.00 54.13 55.88 2jqo s LEU 99 Cb -0.12 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2jqo s LEU 99 CO -0.07 -0.56 0.13 -0.76 -1.32 0.00 0.00 176.35 173.77 2jqo s LEU 100 N 1.63 4.33 0.00 -0.68 1.43 -0.73 -4.97 118.68 119.70 2jqo s LEU 100 Ca 0.59 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 2jqo s LEU 100 Cb -0.29 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 43.88 2jqo s LEU 100 CO 0.27 0.41 0.80 0.18 0.23 0.00 0.00 176.35 178.24 2jqo n LEU 101 N 2.00 0.36 -3.60 1.79 4.77 -1.26 -4.34 117.00 116.72 2jqo n LEU 101 Ca -0.20 -0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.19 2jqo n LEU 101 Cb 0.55 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2jqo n LEU 101 CO 0.31 0.09 2.57 -0.62 -1.33 0.00 0.00 177.39 178.41 2jqo n GLU 102 N -0.31 3.76 -0.06 3.23 1.02 -1.26 -4.59 120.64 122.42 2jqo n GLU 102 Ca 0.00 -3.02 -0.05 0.00 -0.02 0.00 0.00 57.16 54.07 2jqo n GLU 102 Cb 0.09 -2.89 -0.04 0.00 -0.02 0.00 0.00 31.44 28.59 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 5.30 0.00 -2.89 -0.32 2.76 -1.93 -3.42 115.15 114.65 2jqo h HIS 103 Ca 0.63 0.00 -0.70 0.00 -2.20 0.00 0.00 60.37 58.09 2jqo h HIS 103 Cb 0.46 0.00 -0.20 0.00 1.55 0.00 0.00 27.41 29.22 2jqo h HIS 103 CO 1.54 0.29 0.32 -1.01 -1.30 0.00 0.00 177.93 177.78 2jqo s HIS 104 N -1.86 3.09 0.69 5.26 3.76 -1.26 -5.00 115.29 119.97 2jqo s HIS 104 Ca -0.08 -1.16 -0.12 0.00 -0.15 0.00 0.00 55.06 53.55 2jqo s HIS 104 Cb 0.00 -4.08 0.01 0.00 1.11 0.00 0.00 32.58 29.62 2jqo s HIS 104 CO 0.21 -1.34 1.07 -1.01 -0.85 0.00 0.00 174.74 172.83 2jqo s HIS 105 N 2.49 2.88 -0.05 1.40 0.09 -1.26 -5.06 115.29 115.77 2jqo s HIS 105 Ca 0.18 1.49 0.05 0.00 -0.00 0.00 0.00 55.06 56.79 2jqo s HIS 105 Cb -0.17 -2.99 -0.02 0.00 -0.00 0.00 0.00 32.58 29.40 2jqo s HIS 105 CO 0.01 -1.41 -0.22 -3.38 -0.00 0.00 0.00 174.74 169.74 2jqo s HIS 106 N -2.77 2.51 0.15 1.40 -3.43 -1.26 -5.02 115.29 106.86 2jqo s HIS 106 Ca 0.61 -0.53 0.02 0.00 -0.80 0.00 0.00 55.06 54.36 2jqo s HIS 106 Cb -0.16 -1.61 -0.07 0.00 -1.43 0.00 0.00 32.58 29.31 2jqo s HIS 106 CO 0.49 -0.09 1.33 1.25 -2.00 0.00 0.00 174.74 175.72 2jqo h HIS 107 N 5.85 0.29 -0.02 0.38 2.76 -2.07 -3.56 115.15 118.77 2jqo h HIS 107 Ca -0.37 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 57.63 2jqo h HIS 107 Cb 1.16 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.10 2jqo h HIS 107 CO 0.44 1.02 0.00 1.58 -1.30 0.00 0.00 177.93 179.67