#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 3.78 -4.11 7.83 2.85 -1.26 -5.00 115.26 119.36 2jqo n ASN 2 Ca 0.00 -3.31 -0.36 0.00 -0.11 0.00 0.00 54.58 50.80 2jqo n ASN 2 Cb 0.00 -0.82 -0.12 0.00 1.24 0.00 0.00 39.78 40.09 2jqo n ASN 2 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2jqo s LYS 3 N -1.95 2.04 -0.28 1.20 1.02 -1.26 -5.06 119.74 115.45 2jqo s LYS 3 Ca 0.32 -1.91 -0.29 0.00 0.02 0.00 0.00 55.97 54.11 2jqo s LYS 3 Cb 0.03 -3.58 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 2jqo s LYS 3 CO -0.08 -1.08 1.43 1.21 -0.92 0.00 0.00 175.35 175.91 2jqo s ASN 4 N 1.64 6.53 0.13 2.83 3.84 -1.26 -4.91 114.94 123.74 2jqo s ASN 4 Ca 0.09 1.34 -0.17 0.00 0.21 0.00 0.00 52.86 54.33 2jqo s ASN 4 Cb -0.22 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 37.92 2jqo s ASN 4 CO -0.04 -1.17 1.71 -0.33 -2.79 0.00 0.00 177.10 174.47 2jqo h GLU 5 N 9.95 0.50 -5.35 0.43 5.08 -2.04 -3.46 114.58 119.69 2jqo h GLU 5 Ca -0.29 -0.07 -0.41 0.00 -1.00 0.00 0.00 59.36 57.59 2jqo h GLU 5 Cb 1.12 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2jqo h GLU 5 CO 1.02 0.45 -0.62 1.04 -1.00 0.00 0.00 179.01 179.91 2jqo n GLN 6 N -4.74 -4.40 -3.74 2.33 6.02 -1.26 -4.93 117.38 106.65 2jqo n GLN 6 Ca -0.01 0.64 -0.35 0.00 -0.01 0.00 0.00 57.00 57.27 2jqo n GLN 6 Cb 0.10 -5.44 -0.08 0.00 1.02 0.00 0.00 30.24 25.84 2jqo n GLN 6 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jqo s ASN 7 N -2.85 6.14 0.00 1.08 2.47 -1.26 -4.51 114.94 116.01 2jqo s ASN 7 Ca 0.43 0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.91 2jqo s ASN 7 Cb -0.22 -2.08 0.00 0.00 -1.45 0.00 0.00 41.25 37.50 2jqo s ASN 7 CO 0.53 0.16 0.00 0.61 -3.72 0.00 0.00 177.10 174.69 2jqo n GLY 8 N 3.63 -0.67 0.18 1.21 0.00 -1.26 -4.94 105.19 103.33 2jqo n GLY 8 Ca -0.16 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.57 2jqo n GLY 8 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jqo h ASP 9 N 0.00 0.00 -0.65 1.61 3.58 -2.01 -2.40 116.42 116.55 2jqo h ASP 9 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jqo h ASP 9 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2jqo h ASP 9 CO 0.00 0.43 0.42 -0.08 -2.88 0.00 0.00 179.24 177.13 2jqo h GLU 10 N 0.00 0.86 -2.50 0.28 4.57 -1.92 -3.21 114.58 112.66 2jqo h GLU 10 Ca -0.00 -0.05 -0.49 0.00 -1.18 0.00 0.00 59.36 57.63 2jqo h GLU 10 Cb 0.86 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.22 2jqo h GLU 10 CO 0.06 0.57 1.85 2.41 -1.18 0.00 0.00 179.01 182.72 2jqo n THR 11 N -4.43 3.88 -3.69 0.32 -1.04 -0.90 -4.77 114.28 103.64 2jqo n THR 11 Ca 0.07 -2.45 -0.27 0.00 -2.04 0.00 0.00 64.05 59.35 2jqo n THR 11 Cb 0.04 -2.23 -0.17 0.00 -1.82 0.00 0.00 70.33 66.15 2jqo n THR 11 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2jqo s LYS 12 N 0.97 0.45 0.11 -2.82 2.20 -1.21 -4.83 119.74 114.60 2jqo s LYS 12 Ca 0.66 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.98 2jqo s LYS 12 Cb 0.25 -2.00 -0.04 0.00 -1.51 0.00 0.00 37.83 34.53 2jqo s LYS 12 CO -0.06 -0.66 0.18 -1.64 -0.36 0.00 0.00 175.35 172.80 2jqo s MET 13 N 1.95 3.17 -0.24 4.03 -1.94 -1.26 -5.08 119.30 119.94 2jqo s MET 13 Ca 0.00 -0.63 -0.24 0.00 -1.71 0.00 0.00 55.69 53.11 2jqo s MET 13 Cb -0.17 -2.85 -0.01 0.00 2.01 0.00 0.00 34.83 33.81 2jqo s MET 13 CO -0.09 0.55 0.81 -0.65 -0.01 0.00 0.00 175.02 175.63 2jqo s GLN 14 N -2.76 4.18 -0.18 2.03 -1.52 -1.20 -4.96 119.66 115.24 2jqo s GLN 14 Ca 0.32 0.90 -0.14 0.00 -1.95 0.00 0.00 55.36 54.50 2jqo s GLN 14 Cb -0.12 -3.64 -0.05 0.00 -0.22 0.00 0.00 33.01 28.98 2jqo s GLN 14 CO 0.25 -0.50 0.29 -1.12 -0.25 0.00 0.00 175.29 173.96 2jqo s SER 15 N 1.35 6.38 0.16 5.90 0.01 -1.26 -2.46 113.70 123.78 2jqo s SER 15 Ca 0.34 0.45 0.05 0.00 1.31 0.00 0.00 55.95 58.10 2jqo s SER 15 Cb -0.15 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2jqo s SER 15 CO 0.07 0.06 -0.11 -0.76 0.41 0.00 0.00 173.24 172.91 2jqo s LEU 16 N 0.71 2.54 -0.09 2.44 1.43 0.09 -4.98 118.68 120.82 2jqo s LEU 16 Ca 0.15 -1.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 2jqo s LEU 16 Cb -0.13 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.67 2jqo s LEU 16 CO 0.04 -0.29 -0.13 -0.69 0.23 0.00 0.00 176.35 175.52 2jqo s VAL 17 N -3.23 1.25 0.19 -1.59 1.01 -1.26 -0.31 120.40 116.46 2jqo s VAL 17 Ca 0.18 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 2jqo s VAL 17 Cb 0.02 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 2jqo s VAL 17 CO 0.02 0.39 0.34 -0.83 0.00 0.00 0.00 175.10 175.02 2jqo s GLY 18 N 0.93 0.52 -0.15 4.51 0.00 0.14 -4.78 107.32 108.48 2jqo s GLY 18 Ca -0.09 -0.90 -0.06 0.00 0.00 0.00 0.00 44.72 43.68 2jqo s GLY 18 CO 0.00 -0.79 0.04 -0.19 0.00 0.00 0.00 173.10 172.17 2jqo s TYR 19 N -3.99 3.23 -0.64 1.90 1.51 -0.76 -0.77 117.35 117.84 2jqo s TYR 19 Ca 0.20 0.09 -0.22 0.00 -1.01 0.00 0.00 57.07 56.12 2jqo s TYR 19 Cb 0.02 -1.99 0.07 0.00 -0.11 0.00 0.00 41.96 39.96 2jqo s TYR 19 CO 0.03 0.25 0.91 0.08 -1.11 0.00 0.00 175.55 175.71 2jqo s VAL 20 N -0.02 4.42 -0.15 0.71 1.01 0.89 -0.68 120.40 126.58 2jqo s VAL 20 Ca 0.05 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 2jqo s VAL 20 Cb -0.12 -4.63 -0.24 0.00 0.00 0.00 0.00 36.38 31.38 2jqo s VAL 20 CO 0.01 -1.36 0.25 1.33 0.00 0.00 0.00 175.10 175.33 2jqo n VAL 21 N 5.88 1.72 -4.69 2.92 0.24 -0.95 0.68 118.33 124.13 2jqo n VAL 21 Ca -0.04 -0.62 -0.23 0.00 -2.04 0.00 0.00 64.34 61.41 2jqo n VAL 21 Cb 0.45 -1.69 -0.15 0.00 -1.47 0.00 0.00 33.84 30.98 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 -6.98 2.06 -0.04 1.34 1.43 -1.09 -4.28 118.68 111.12 2jqo s LEU 22 Ca -0.25 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 2jqo s LEU 22 Cb 0.07 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.48 2jqo s LEU 22 CO 0.73 0.17 -0.17 -0.75 0.23 0.00 0.00 176.35 176.57 2jqo s LYS 23 N -0.54 1.67 0.00 1.70 2.20 -1.26 0.16 119.74 123.67 2jqo s LYS 23 Ca 0.06 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 2jqo s LYS 23 Cb -0.07 -1.48 0.00 0.00 -1.51 0.00 0.00 37.83 34.77 2jqo s LYS 23 CO -0.00 0.26 0.00 -3.47 -0.36 0.00 0.00 175.35 171.78 2jqo n ASP 24 N 3.05 0.41 -4.58 1.43 2.03 0.61 -4.98 116.55 114.51 2jqo n ASP 24 Ca -0.17 -0.71 -0.42 0.00 0.52 0.00 0.00 54.79 54.00 2jqo n ASP 24 Cb 0.53 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.91 2jqo n ASP 24 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2jqo s ASN 25 N -0.43 6.45 0.00 1.67 3.84 -1.26 -3.44 114.94 121.77 2jqo s ASN 25 Ca 0.00 0.22 0.00 0.00 0.21 0.00 0.00 52.86 53.29 2jqo s ASN 25 Cb 0.00 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 2jqo s ASN 25 CO 0.00 -1.46 0.00 -0.62 -2.79 0.00 0.00 177.10 172.23 2jqo n GLU 26 N 8.34 -0.69 -3.79 0.43 1.02 -1.26 -4.95 120.64 119.73 2jqo n GLU 26 Ca 0.10 0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 57.28 2jqo n GLU 26 Cb 0.49 -3.76 -0.12 0.00 -0.02 0.00 0.00 31.44 28.03 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 -0.77 0.28 0.01 3.49 1.70 -1.22 -0.06 118.95 122.38 2jqo s ARG 27 Ca 0.00 0.31 0.05 0.00 -0.47 0.00 0.00 55.73 55.62 2jqo s ARG 27 Cb 0.00 0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.50 2jqo s ARG 27 CO 0.00 -0.03 -0.15 0.00 -1.08 0.00 0.00 175.30 174.03 2jqo s ALA 28 N 0.09 1.27 -0.46 7.88 0.00 -0.14 -0.28 121.76 130.11 2jqo s ALA 28 Ca -0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 2jqo s ALA 28 Cb -0.02 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 22.88 2jqo s ALA 28 CO 0.00 0.28 0.45 0.42 0.00 0.00 0.00 175.76 176.92 2jqo s ILE 29 N -0.57 5.11 0.02 0.00 1.01 0.12 -0.13 121.20 126.75 2jqo s ILE 29 Ca 0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 2jqo s ILE 29 Cb -0.07 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2jqo s ILE 29 CO 0.00 -0.57 0.14 -0.76 0.00 0.00 0.00 174.94 173.76 2jqo s LEU 30 N 2.03 4.14 -0.22 2.97 2.01 0.30 -2.23 118.68 127.68 2jqo s LEU 30 Ca 0.09 0.22 -0.07 0.00 0.01 0.00 0.00 54.13 54.38 2jqo s LEU 30 Cb -0.20 -2.56 -0.03 0.00 0.01 0.00 0.00 46.19 43.40 2jqo s LEU 30 CO 0.10 0.23 0.05 -0.63 1.01 0.00 0.00 176.35 177.11 2jqo s ILE 31 N -1.33 4.31 -1.22 -0.59 1.01 0.14 -0.39 121.20 123.12 2jqo s ILE 31 Ca 0.28 -0.18 0.29 0.00 0.00 0.00 0.00 60.65 61.03 2jqo s ILE 31 Cb -0.12 -2.98 0.33 0.00 0.01 0.00 0.00 42.46 39.70 2jqo s ILE 31 CO 0.20 0.39 1.90 0.35 0.00 0.00 0.00 174.94 177.78 2jqo n THR 32 N 4.40 0.00 -1.84 2.92 -2.24 0.56 -1.83 114.28 116.25 2jqo n THR 32 Ca -0.16 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.28 2jqo n THR 32 Cb 0.52 -0.36 0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.80 5.48 -0.07 3.42 -1.08 -1.26 -4.91 116.67 115.45 2jqo s ASP 33 Ca 0.20 1.81 0.20 0.00 -0.52 0.00 0.00 52.55 54.25 2jqo s ASP 33 Cb 0.19 -2.53 0.71 0.00 -1.46 0.00 0.00 42.92 39.83 2jqo s ASP 33 CO 0.52 -1.37 1.61 0.35 0.52 0.00 0.00 175.17 176.79 2jqo n THR 34 N -2.44 1.50 -4.64 1.71 -2.24 -1.26 -4.56 114.28 102.36 2jqo n THR 34 Ca 0.09 -1.12 -0.25 0.00 -2.27 0.00 0.00 64.05 60.51 2jqo n THR 34 Cb 0.53 0.28 -0.14 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.50 1.33 0.24 -0.78 2.20 -1.26 -5.10 119.74 114.87 2jqo s LYS 35 Ca 0.51 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 2jqo s LYS 35 Cb 0.30 -1.39 -0.09 0.00 -1.51 0.00 0.00 37.83 35.14 2jqo s LYS 35 CO 0.29 0.36 1.16 0.00 -0.36 0.00 0.00 175.35 176.80 2jqo s ALA 36 N -0.74 3.43 1.19 3.13 0.00 -1.26 -4.99 121.76 122.52 2jqo s ALA 36 Ca 0.06 0.96 -0.19 0.00 0.00 0.00 0.00 51.96 52.79 2jqo s ALA 36 Cb -0.08 -3.38 0.28 0.00 0.00 0.00 0.00 23.12 19.94 2jqo s ALA 36 CO 0.01 -0.30 1.11 -1.25 0.00 0.00 0.00 175.76 175.33 2jqo s PRO 37 N -0.95 -1.11 0.82 0.00 0.04 -1.26 -5.04 135.00 127.50 2jqo s PRO 37 Ca 0.49 -0.05 -0.12 0.00 0.04 0.00 0.00 61.00 61.36 2jqo s PRO 37 Cb -0.33 -1.61 0.09 0.00 0.04 0.00 0.00 34.50 32.69 2jqo s PRO 37 CO 0.40 -3.64 1.17 0.20 0.04 0.00 0.00 177.00 175.17 2jqo s GLY 38 N -3.89 1.59 0.45 0.56 0.00 -1.26 -4.89 107.32 99.88 2jqo s GLY 38 Ca 0.71 -0.61 0.21 0.00 0.00 0.00 0.00 44.72 45.02 2jqo s GLY 38 CO 0.56 -0.12 1.95 1.70 0.00 0.00 0.00 173.10 177.19 2jqo h LYS 39 N -1.11 0.00 -0.63 2.90 1.63 -1.98 -1.31 116.57 116.06 2jqo h LYS 39 Ca -0.47 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.31 2jqo h LYS 39 Cb 1.33 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.93 2jqo h LYS 39 CO 0.65 0.22 0.29 0.93 -3.45 0.00 0.00 179.45 178.10 2jqo h GLU 40 N 0.00 0.92 -0.30 1.90 3.07 -1.98 -0.70 114.58 117.50 2jqo h GLU 40 Ca -0.00 -0.14 -0.09 0.00 -0.50 0.00 0.00 59.36 58.62 2jqo h GLU 40 Cb 0.49 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2jqo h GLU 40 CO 0.03 0.75 -0.21 -0.44 -1.40 0.00 0.00 179.01 177.74 2jqo h ASP 41 N 0.88 0.56 0.79 1.42 3.32 -1.62 -0.72 116.42 121.04 2jqo h ASP 41 Ca 0.22 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 2jqo h ASP 41 Cb 0.14 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2jqo h ASP 41 CO -0.02 0.77 -0.17 1.88 -1.72 0.00 0.00 179.24 179.98 2jqo h TYR 42 N 0.50 0.00 0.00 4.55 0.05 -0.92 -2.44 116.97 118.71 2jqo h TYR 42 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 2jqo h TYR 42 Cb 0.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.38 2jqo h TYR 42 CO 0.02 0.17 -0.56 -0.91 -1.05 0.00 0.00 178.16 175.83 2jqo h ASN 43 N 0.00 0.00 -3.82 3.88 2.35 -0.02 -3.47 115.58 114.50 2jqo h ASN 43 Ca -0.00 -0.17 -0.44 0.00 -0.55 0.00 0.00 56.30 55.14 2jqo h ASN 43 Cb 0.61 0.00 0.17 0.00 0.05 0.00 0.00 38.32 39.14 2jqo h ASN 43 CO 0.02 0.08 0.21 -0.76 -1.65 0.00 0.00 177.43 175.33 2jqo s LEU 44 N -4.39 1.42 0.55 1.61 1.43 -0.39 -5.08 118.68 113.83 2jqo s LEU 44 Ca 0.06 0.88 0.08 0.00 -1.03 0.00 0.00 54.13 54.13 2jqo s LEU 44 Cb 0.13 -2.92 0.06 0.00 0.03 0.00 0.00 46.19 43.49 2jqo s LEU 44 CO 0.71 -3.35 0.65 -0.44 0.23 0.00 0.00 176.35 174.14 2jqo s SER 45 N -3.81 5.01 0.15 2.29 0.01 -1.26 -4.98 113.70 111.12 2jqo s SER 45 Ca 0.68 -0.92 -0.17 0.00 1.31 0.00 0.00 55.95 56.85 2jqo s SER 45 Cb -0.14 0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.34 2jqo s SER 45 CO 0.56 -1.19 1.76 -0.08 0.41 0.00 0.00 173.24 174.70 2jqo h GLU 46 N 0.42 0.29 -0.39 12.44 4.81 -1.98 -1.86 114.58 128.31 2jqo h GLU 46 Ca -0.33 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.91 2jqo h GLU 46 Cb 1.29 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 2jqo h GLU 46 CO 0.46 0.19 0.26 0.78 -0.73 0.00 0.00 179.01 179.98 2jqo h GLY 47 N 0.30 0.46 0.75 1.92 0.00 -1.97 0.22 103.07 104.74 2jqo h GLY 47 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2jqo h GLY 47 CO -0.13 0.14 -0.07 1.46 0.00 0.00 0.00 176.54 177.94 2jqo h GLN 48 N 0.41 -0.18 -0.07 4.80 1.08 -1.74 -2.13 115.11 117.28 2jqo h GLN 48 Ca 0.16 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.29 2jqo h GLN 48 Cb 0.13 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2jqo h GLN 48 CO -0.04 0.09 -0.35 -0.07 -0.95 0.00 0.00 178.83 177.51 2jqo h LEU 49 N -0.44 0.14 -1.38 1.46 3.38 -1.00 -0.47 115.31 117.00 2jqo h LEU 49 Ca -0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2jqo h LEU 49 Cb 0.35 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2jqo h LEU 49 CO 0.03 0.49 0.03 -0.03 0.09 0.00 0.00 178.44 179.05 2jqo h MET 50 N 0.13 0.44 0.09 1.13 4.05 -0.44 0.12 114.93 120.45 2jqo h MET 50 Ca 0.01 -0.08 -0.27 0.00 -0.28 0.00 0.00 59.70 59.09 2jqo h MET 50 Cb 0.68 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 2jqo h MET 50 CO 0.05 0.44 -1.43 -0.91 0.23 0.00 0.00 176.91 175.30 2jqo h ASN 51 N 0.43 0.29 0.23 1.39 2.35 -0.97 -3.26 115.58 116.04 2jqo h ASN 51 Ca 0.10 -0.80 -0.01 0.00 -0.55 0.00 0.00 56.30 55.03 2jqo h ASN 51 Cb 0.24 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2jqo h ASN 51 CO 0.00 1.61 -0.11 0.50 -1.65 0.00 0.00 177.43 177.78 2jqo h LYS 52 N -0.41 -0.30 -1.63 0.81 3.64 -1.03 -3.25 116.57 114.39 2jqo h LYS 52 Ca -0.32 0.02 -0.70 0.00 -1.27 0.00 0.00 60.65 58.37 2jqo h LYS 52 Cb 1.68 0.07 -0.27 0.00 -0.41 0.00 0.00 32.23 33.31 2jqo h LYS 52 CO 0.01 0.07 0.94 1.19 -2.27 0.00 0.00 179.45 179.38 2jqo n PHE 53 N -5.03 2.93 -0.25 1.91 3.72 0.42 -4.78 117.46 116.39 2jqo n PHE 53 Ca -0.09 -2.54 0.18 0.00 -0.05 0.00 0.00 57.45 54.96 2jqo n PHE 53 Cb 0.26 -1.29 0.49 0.00 -0.94 0.00 0.00 39.48 38.00 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 2.59 0.44 -0.28 -1.08 3.64 -1.60 0.21 116.57 120.49 2jqo h LYS 54 Ca 0.56 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 2jqo h LYS 54 Cb 0.38 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2jqo h LYS 54 CO 1.44 0.29 0.00 0.09 -2.27 0.00 0.00 179.45 179.00 2jqo n ASN 55 N -4.53 3.26 0.00 4.20 5.03 -1.26 -4.35 115.26 117.60 2jqo n ASN 55 Ca 0.19 -2.46 0.00 0.00 0.87 0.00 0.00 54.58 53.19 2jqo n ASN 55 Cb 0.67 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 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 -0.03 0.47 -4.55 6.41 4.13 0.54 -4.93 115.26 117.30 2jqo n ASN 56 Ca 0.15 -0.74 -0.40 0.00 1.68 0.00 0.00 54.58 55.27 2jqo n ASN 56 Cb 0.62 0.39 -0.10 0.00 -1.54 0.00 0.00 39.78 39.15 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 -0.39 5.19 -0.20 2.41 2.07 -0.03 -0.33 121.20 129.92 2jqo s ILE 57 Ca 0.00 0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.36 2jqo s ILE 57 Cb 0.00 -3.77 0.04 0.00 0.13 0.00 0.00 42.46 38.86 2jqo s ILE 57 CO 0.00 -0.02 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.16 2jqo s VAL 58 N 1.97 2.00 -0.58 4.00 1.01 0.47 -3.38 120.40 125.90 2jqo s VAL 58 Ca 0.11 -1.14 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 2jqo s VAL 58 Cb -0.16 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.32 2jqo s VAL 58 CO 0.11 0.31 1.00 -0.63 0.00 0.00 0.00 175.10 175.90 2jqo s ILE 59 N 1.26 4.29 0.01 2.22 1.01 -0.40 -0.54 121.20 129.05 2jqo s ILE 59 Ca -0.00 0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.81 2jqo s ILE 59 Cb -0.16 -4.61 -0.06 0.00 0.01 0.00 0.00 42.46 37.65 2jqo s ILE 59 CO -0.10 -1.24 0.39 0.68 0.00 0.00 0.00 174.94 174.68 2jqo s VAL 60 N 4.21 5.07 -0.01 2.92 -7.23 0.81 -1.59 120.40 124.59 2jqo s VAL 60 Ca 0.31 0.70 -0.28 0.00 -1.81 0.00 0.00 61.98 60.91 2jqo s VAL 60 Cb -0.12 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 2jqo s VAL 60 CO 0.19 0.51 0.88 -0.83 -0.31 0.00 0.00 175.10 175.53 2jqo s GLY 61 N -1.25 2.82 0.00 2.32 0.00 0.16 -0.97 107.32 110.40 2jqo s GLY 61 Ca 0.26 0.40 0.17 0.00 0.00 0.00 0.00 44.72 45.54 2jqo s GLY 61 CO 0.14 1.47 1.32 1.04 0.00 0.00 0.00 173.10 177.07 2jqo n LEU 62 N 3.71 3.21 0.26 0.66 4.77 0.92 -2.70 117.00 127.83 2jqo n LEU 62 Ca 0.03 -1.77 0.11 0.00 -0.03 0.00 0.00 56.01 54.34 2jqo n LEU 62 Cb 0.51 -0.28 0.72 0.00 -2.33 0.00 0.00 43.42 42.05 2jqo n LEU 62 CO 0.50 0.76 1.09 0.28 -1.33 0.00 0.00 177.39 178.69 2jqo h SER 63 N 3.20 0.00 0.35 -1.43 0.02 -1.92 -1.59 113.55 112.18 2jqo h SER 63 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jqo h SER 63 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2jqo h SER 63 CO 0.00 0.00 -1.06 -0.62 -1.14 0.00 0.00 176.83 174.01 2jqo n GLU 64 N -4.32 0.26 -3.62 3.45 1.02 -1.26 -4.75 120.64 111.41 2jqo n GLU 64 Ca -0.02 -0.02 -0.40 0.00 -0.02 0.00 0.00 57.16 56.70 2jqo n GLU 64 Cb 0.11 -1.57 -0.10 0.00 -0.02 0.00 0.00 31.44 29.86 2jqo n GLU 64 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jqo s ILE 65 N -3.18 4.13 -0.16 -3.67 1.01 -0.60 -4.93 121.20 113.81 2jqo s ILE 65 Ca 0.04 -1.47 0.20 0.00 0.00 0.00 0.00 60.65 59.42 2jqo s ILE 65 Cb 0.15 -3.56 0.20 0.00 0.01 0.00 0.00 42.46 39.25 2jqo s ILE 65 CO 0.81 -0.53 1.61 -2.24 0.00 0.00 0.00 174.94 174.59 2jqo h ASP 66 N 8.38 0.00 -0.31 3.58 2.03 -1.86 -3.28 116.42 124.97 2jqo h ASP 66 Ca -0.22 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 55.87 2jqo h ASP 66 Cb 1.08 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.49 2jqo h ASP 66 CO 0.76 0.27 0.22 -0.46 -1.03 0.00 0.00 179.24 179.00 2jqo n ASN 67 N -3.22 5.99 -1.38 4.15 6.94 -1.26 -4.14 115.26 122.34 2jqo n ASN 67 Ca 0.02 -2.80 0.08 0.00 -0.02 0.00 0.00 54.58 51.86 2jqo n ASN 67 Cb 0.59 -1.11 0.30 0.00 -2.36 0.00 0.00 39.78 37.19 2jqo n ASN 67 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2jqo n THR 68 N 0.91 1.55 -0.19 5.53 -2.24 -1.24 -4.34 114.28 114.27 2jqo n THR 68 Ca 0.20 -0.97 -0.09 0.00 -2.27 0.00 0.00 64.05 60.92 2jqo n THR 68 Cb 0.56 0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.83 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 3.37 0.88 -0.02 3.42 3.58 -1.91 -2.67 116.42 123.06 2jqo h ASP 69 Ca 0.00 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2jqo h ASP 69 Cb 1.27 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2jqo h ASP 69 CO 0.21 0.92 0.00 -0.90 -2.88 0.00 0.00 179.24 176.59 2jqo n ASP 70 N -4.35 0.45 -4.67 2.28 5.75 -1.26 -4.74 116.55 110.00 2jqo n ASP 70 Ca 0.02 -1.29 -0.43 0.00 -0.01 0.00 0.00 54.79 53.08 2jqo n ASP 70 Cb 0.27 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.33 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 -1.83 4.18 0.00 -2.12 2.96 -1.01 -5.01 118.68 115.85 2jqo s LEU 71 Ca 0.39 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 55.90 2jqo s LEU 71 Cb 0.19 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.33 2jqo s LEU 71 CO 0.31 -0.68 0.00 0.29 -1.32 0.00 0.00 176.35 174.95 2jqo n LYS 72 N 6.19 1.63 -3.69 1.98 5.02 -1.26 -5.08 118.16 122.95 2jqo n LYS 72 Ca 0.12 -0.94 -0.36 0.00 -2.02 0.00 0.00 58.31 55.11 2jqo n LYS 72 Cb 0.46 0.27 -0.07 0.00 -0.02 0.00 0.00 35.03 35.67 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 -2.46 3.93 0.00 1.97 0.52 -1.26 -4.29 118.95 117.36 2jqo s ARG 73 Ca 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 2jqo s ARG 73 Cb 0.00 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.15 2jqo s ARG 73 CO 0.00 0.49 0.00 0.41 0.02 0.00 0.00 175.30 176.22 2jqo n GLY 74 N 2.76 0.90 3.97 -3.53 0.00 0.21 -5.01 105.19 104.49 2jqo n GLY 74 Ca -0.16 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.19 2.48 -0.06 1.61 0.41 -0.98 -4.90 118.70 115.07 2jqo s GLU 75 Ca 0.00 -1.59 0.01 0.00 -0.41 0.00 0.00 54.97 52.98 2jqo s GLU 75 Cb 0.00 -2.51 0.02 0.00 -1.78 0.00 0.00 34.13 29.86 2jqo s GLU 75 CO 0.00 -0.51 -0.07 0.21 -0.49 0.00 0.00 175.26 174.40 2jqo s LYS 76 N -4.39 1.16 0.06 1.61 2.20 -1.26 -0.08 119.74 119.05 2jqo s LYS 76 Ca 0.52 -0.20 0.01 0.00 -0.36 0.00 0.00 55.97 55.94 2jqo s LYS 76 Cb -0.05 -1.11 -0.03 0.00 -1.51 0.00 0.00 37.83 35.12 2jqo s LYS 76 CO 0.32 -0.09 -0.06 0.96 -0.36 0.00 0.00 175.35 176.12 2jqo s ILE 77 N 1.02 0.47 -0.30 5.43 -4.36 0.05 0.11 121.20 123.62 2jqo s ILE 77 Ca -0.09 -1.46 -0.08 0.00 -0.26 0.00 0.00 60.65 58.76 2jqo s ILE 77 Cb -0.14 -1.06 0.01 0.00 1.25 0.00 0.00 42.46 42.51 2jqo s ILE 77 CO -0.00 -0.67 0.11 -0.75 0.24 0.00 0.00 174.94 173.87 2jqo s LYS 78 N -2.71 3.15 -0.10 0.37 2.20 0.10 -0.69 119.74 122.07 2jqo s LYS 78 Ca -0.01 -0.83 -0.04 0.00 -0.36 0.00 0.00 55.97 54.74 2jqo s LYS 78 Cb -0.02 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 2jqo s LYS 78 CO -0.03 -0.45 0.05 0.14 -0.36 0.00 0.00 175.35 174.70 2jqo s VAL 79 N 1.54 4.72 -0.21 4.02 -7.23 0.57 -0.11 120.40 123.70 2jqo s VAL 79 Ca 0.03 -0.09 -0.05 0.00 -1.81 0.00 0.00 61.98 60.06 2jqo s VAL 79 Cb -0.17 -3.02 -0.02 0.00 0.56 0.00 0.00 36.38 33.73 2jqo s VAL 79 CO 0.04 0.60 -0.01 0.26 -0.31 0.00 0.00 175.10 175.68 2jqo s TRP 80 N -0.87 3.01 0.33 2.82 0.51 0.82 -0.74 118.94 124.83 2jqo s TRP 80 Ca 0.13 -0.60 -0.05 0.00 -2.12 0.00 0.00 56.10 53.47 2jqo s TRP 80 Cb -0.12 -2.10 0.00 0.00 -0.81 0.00 0.00 33.47 30.44 2jqo s TRP 80 CO 0.03 -0.35 0.49 -0.59 -0.51 0.00 0.00 176.95 176.02 2jqo s PHE 81 N 1.20 0.92 0.00 -1.98 -0.71 -1.03 -0.99 117.98 115.39 2jqo s PHE 81 Ca 0.03 -1.19 0.00 0.00 -1.04 0.00 0.00 56.93 54.73 2jqo s PHE 81 Cb -0.15 -0.00 0.00 0.00 -1.21 0.00 0.00 43.02 41.66 2jqo s PHE 81 CO 0.01 -1.13 0.00 1.58 -1.34 0.00 0.00 175.22 174.34 2jqo n HIS 82 N -0.53 -0.12 -2.67 3.49 -0.00 -1.26 -3.25 115.22 110.88 2jqo n HIS 82 Ca 0.00 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.76 2jqo n HIS 82 Cb 0.62 0.10 -0.03 0.00 -0.12 0.00 0.00 29.99 30.55 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 -1.20 4.11 -0.31 3.57 2.01 -1.26 -5.00 115.64 117.56 2jqo s THR 83 Ca 0.00 0.56 -0.13 0.00 0.31 0.00 0.00 61.69 62.43 2jqo s THR 83 Cb 0.00 -4.69 -0.03 0.00 0.01 0.00 0.00 72.50 67.79 2jqo s THR 83 CO 0.00 -1.35 0.27 -0.60 -0.69 0.00 0.00 174.62 172.25 2jqo s ARG 84 N 4.70 3.72 -0.34 4.92 3.52 -1.26 -1.80 118.95 132.40 2jqo s ARG 84 Ca 0.37 -0.40 -0.13 0.00 -0.13 0.00 0.00 55.73 55.43 2jqo s ARG 84 Cb -0.10 -3.74 -0.02 0.00 -1.56 0.00 0.00 34.95 29.53 2jqo s ARG 84 CO 0.21 -0.36 0.27 0.21 -0.81 0.00 0.00 175.30 174.82 2jqo s LYS 85 N 1.85 3.52 -0.97 5.12 2.20 0.84 -4.95 119.74 127.36 2jqo s LYS 85 Ca 0.09 -0.58 -0.24 0.00 -0.36 0.00 0.00 55.97 54.89 2jqo s LYS 85 Cb -0.17 -3.81 0.03 0.00 -1.51 0.00 0.00 37.83 32.38 2jqo s LYS 85 CO 0.11 -0.46 1.52 -1.21 -0.36 0.00 0.00 175.35 174.95 2jqo s GLU 86 N 1.81 3.38 -0.18 4.03 2.02 -1.26 -0.74 118.70 127.76 2jqo s GLU 86 Ca 0.08 -0.89 0.15 0.00 0.02 0.00 0.00 54.97 54.33 2jqo s GLU 86 Cb -0.17 -5.20 -0.24 0.00 0.10 0.00 0.00 34.13 28.62 2jqo s GLU 86 CO 0.11 -2.40 0.14 0.45 0.02 0.00 0.00 175.26 173.58 2jqo n SER 87 N 9.79 0.36 -2.91 -0.19 2.88 -1.26 -4.96 113.62 117.33 2jqo n SER 87 Ca 0.32 0.06 -0.00 0.00 -1.33 0.00 0.00 58.87 57.91 2jqo n SER 87 Cb 0.50 0.67 -0.00 0.00 -0.75 0.00 0.00 64.21 64.63 2jqo n SER 87 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jqo n ASN 88 N -2.86 -7.26 -4.73 -3.46 5.15 -1.26 -4.86 115.26 95.98 2jqo n ASN 88 Ca -0.32 1.03 -0.36 0.00 -0.60 0.00 0.00 54.58 54.34 2jqo n ASN 88 Cb 1.13 -3.82 0.07 0.00 -0.53 0.00 0.00 39.78 36.63 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2jqo s PRO 89 N -1.33 2.53 0.44 1.20 0.04 -1.26 -5.11 135.00 131.50 2jqo s PRO 89 Ca -0.01 1.90 -0.24 0.00 0.04 0.00 0.00 61.00 62.69 2jqo s PRO 89 Cb 0.00 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 2jqo s PRO 89 CO 0.47 -1.57 1.09 -2.30 0.04 0.00 0.00 177.00 174.73 2jqo n PRO 90 N -2.09 1.48 -4.33 0.56 -0.02 -1.22 -4.83 135.00 124.56 2jqo n PRO 90 Ca 0.14 0.53 -0.17 0.00 -2.02 0.00 0.00 63.50 61.99 2jqo n PRO 90 Cb 0.49 -2.17 -0.10 0.00 -0.02 0.00 0.00 33.50 31.70 2jqo n PRO 90 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jqo s SER 91 N -0.73 1.95 0.28 2.55 0.15 0.08 -1.28 113.70 116.70 2jqo s SER 91 Ca 0.64 -1.17 -0.19 0.00 0.70 0.00 0.00 55.95 55.93 2jqo s SER 91 Cb -0.52 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 63.78 2jqo s SER 91 CO 0.56 -0.45 0.67 0.00 1.20 0.00 0.00 173.24 175.22 2jqo s ALA 92 N -3.34 -0.99 -0.16 5.45 0.00 -0.62 -0.11 121.76 121.99 2jqo s ALA 92 Ca 0.26 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2jqo s ALA 92 Cb 0.05 0.89 0.03 0.00 0.00 0.00 0.00 23.12 24.09 2jqo s ALA 92 CO 0.07 -1.00 -0.09 0.99 0.00 0.00 0.00 175.76 175.73 2jqo s THR 93 N -3.87 1.36 0.10 0.00 2.01 -0.75 0.36 115.64 114.86 2jqo s THR 93 Ca 0.14 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.30 2jqo s THR 93 Cb -0.05 -1.40 -0.07 0.00 0.01 0.00 0.00 72.50 70.99 2jqo s THR 93 CO 0.08 0.28 0.57 0.27 -0.69 0.00 0.00 174.62 175.12 2jqo s ILE 94 N 1.55 4.77 -0.16 1.82 -4.36 -1.10 -4.27 121.20 119.45 2jqo s ILE 94 Ca 0.02 1.09 0.07 0.00 -0.26 0.00 0.00 60.65 61.57 2jqo s ILE 94 Cb -0.14 -3.84 -0.23 0.00 1.25 0.00 0.00 42.46 39.50 2jqo s ILE 94 CO -0.09 0.44 0.20 0.00 0.24 0.00 0.00 174.94 175.72 2jqo n GLN 95 N 1.37 0.68 -3.56 0.37 6.02 -0.16 -4.67 117.38 117.44 2jqo n GLN 95 Ca -0.08 0.17 -0.17 0.00 -0.01 0.00 0.00 57.00 56.90 2jqo n GLN 95 Cb 0.51 -1.63 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 2jqo n GLN 95 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2jqo s LYS 96 N -2.54 0.99 0.01 -1.09 2.20 -1.06 -4.86 119.74 113.39 2jqo s LYS 96 Ca -0.18 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 2jqo s LYS 96 Cb 0.07 0.47 -0.01 0.00 -1.51 0.00 0.00 37.83 36.85 2jqo s LYS 96 CO 0.75 -0.29 -0.02 1.52 -0.36 0.00 0.00 175.35 176.94 2jqo s TYR 97 N -1.08 0.22 -0.13 4.03 1.13 -1.26 -0.12 117.35 120.13 2jqo s TYR 97 Ca -0.10 -0.21 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 2jqo s TYR 97 Cb -0.01 -0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.70 2jqo s TYR 97 CO 0.09 -0.06 -0.14 -1.21 -2.51 0.00 0.00 175.55 171.72 2jqo s GLU 98 N -0.57 3.35 -0.12 -3.49 0.41 0.85 -4.93 118.70 114.19 2jqo s GLU 98 Ca -0.05 -0.70 -0.29 0.00 -0.41 0.00 0.00 54.97 53.51 2jqo s GLU 98 Cb -0.04 -2.61 -0.02 0.00 -1.78 0.00 0.00 34.13 29.68 2jqo s GLU 98 CO -0.00 0.19 1.20 -1.17 -0.49 0.00 0.00 175.26 174.98 2jqo s LEU 99 N 0.41 4.22 -0.78 1.80 2.96 -1.26 0.03 118.68 126.05 2jqo s LEU 99 Ca -0.11 1.70 -0.02 0.00 -0.22 0.00 0.00 54.13 55.48 2jqo s LEU 99 Cb -0.16 -3.55 0.19 0.00 0.50 0.00 0.00 46.19 43.18 2jqo s LEU 99 CO 0.05 -0.66 0.63 -0.76 -1.32 0.00 0.00 176.35 174.29 2jqo s LEU 100 N 2.85 5.37 0.49 -0.68 1.43 0.12 -4.94 118.68 123.32 2jqo s LEU 100 Ca 0.54 -3.42 -0.12 0.00 -1.03 0.00 0.00 54.13 50.10 2jqo s LEU 100 Cb -0.22 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 2jqo s LEU 100 CO 0.17 -0.24 0.89 -0.22 0.23 0.00 0.00 176.35 177.18 2jqo s LEU 101 N -0.89 3.64 0.58 1.79 2.96 -1.26 -4.25 118.68 121.25 2jqo s LEU 101 Ca 0.23 1.33 0.27 0.00 -0.22 0.00 0.00 54.13 55.74 2jqo s LEU 101 Cb -0.12 -4.26 1.68 0.00 0.50 0.00 0.00 46.19 43.99 2jqo s LEU 101 CO -0.09 -0.56 2.20 1.05 -1.32 0.00 0.00 176.35 177.63 2jqo h GLU 102 N 0.80 0.00 -6.32 1.98 4.11 -1.98 -3.40 114.58 109.77 2jqo h GLU 102 Ca -0.47 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.27 2jqo h GLU 102 Cb 1.19 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.20 2jqo h GLU 102 CO 0.62 0.00 -0.78 -1.01 0.07 0.00 0.00 179.01 177.91 2jqo s HIS 103 N -4.73 2.66 0.13 2.06 3.76 -1.26 -5.02 115.29 112.90 2jqo s HIS 103 Ca -0.05 -0.20 0.04 0.00 -0.15 0.00 0.00 55.06 54.70 2jqo s HIS 103 Cb 0.16 -1.62 -0.15 0.00 1.11 0.00 0.00 32.58 32.08 2jqo s HIS 103 CO 0.57 0.15 1.29 0.45 -0.85 0.00 0.00 174.74 176.36 2jqo h HIS 104 N 5.40 0.15 -2.33 1.40 3.86 -1.98 -3.45 115.15 118.20 2jqo h HIS 104 Ca -0.45 -0.10 -0.59 0.00 -1.16 0.00 0.00 60.37 58.07 2jqo h HIS 104 Cb 1.15 -0.01 -0.12 0.00 1.06 0.00 0.00 27.41 29.49 2jqo h HIS 104 CO 0.49 1.02 -0.70 -1.01 0.86 0.00 0.00 177.93 178.59 2jqo s HIS 105 N -2.85 2.54 0.13 2.45 3.76 -1.26 -5.05 115.29 115.01 2jqo s HIS 105 Ca -0.01 -0.26 -0.14 0.00 -0.15 0.00 0.00 55.06 54.50 2jqo s HIS 105 Cb 0.10 -1.14 -0.03 0.00 1.11 0.00 0.00 32.58 32.62 2jqo s HIS 105 CO 0.83 0.64 1.53 0.45 -0.85 0.00 0.00 174.74 177.34 2jqo h HIS 106 N 2.17 0.87 -3.56 1.40 -0.00 -2.05 -3.47 115.15 110.52 2jqo h HIS 106 Ca -0.43 -0.19 -0.23 0.00 -0.00 0.00 0.00 60.37 59.52 2jqo h HIS 106 Cb 1.25 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.41 28.39 2jqo h HIS 106 CO 0.72 0.91 -0.21 0.72 -0.00 0.00 0.00 177.93 180.07 2jqo n HIS 107 N -4.33 -0.14 0.99 2.45 -0.00 -1.26 -5.11 115.22 107.83 2jqo n HIS 107 Ca -0.01 -1.21 0.12 0.00 -0.00 0.00 0.00 57.72 56.62 2jqo n HIS 107 Cb 0.36 0.06 0.10 0.00 -0.00 0.00 0.00 29.99 30.51 2jqo n HIS 107 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06