#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqo h ASN 2 N 0.00 0.14 -2.49 7.83 4.21 -2.06 -3.47 115.58 119.75 2jqo h ASN 2 Ca 0.00 -0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.31 2jqo h ASN 2 Cb 0.00 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.15 2jqo h ASN 2 CO 0.00 1.17 0.00 0.29 -1.29 0.00 0.00 177.43 177.60 2jqo n LYS 3 N -3.30 1.60 -0.01 0.81 5.02 -1.26 -5.05 118.16 115.98 2jqo n LYS 3 Ca -0.11 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.26 2jqo n LYS 3 Cb 1.01 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.90 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 -1.51 0.99 -4.59 4.39 4.13 -1.26 -4.90 115.26 112.51 2jqo n ASN 4 Ca 0.00 -0.25 -0.41 0.00 1.68 0.00 0.00 54.58 55.59 2jqo n ASN 4 Cb 0.00 1.56 -0.03 0.00 -1.54 0.00 0.00 39.78 39.77 2jqo n ASN 4 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2jqo s GLU 5 N -3.01 3.03 -0.76 3.52 8.01 -1.26 -4.91 118.70 123.32 2jqo s GLU 5 Ca -0.03 1.43 -0.26 0.00 0.01 0.00 0.00 54.97 56.12 2jqo s GLU 5 Cb 0.11 -4.31 0.03 0.00 -4.31 0.00 0.00 34.13 25.65 2jqo s GLU 5 CO 0.71 -2.22 1.35 -1.14 0.01 0.00 0.00 175.26 173.96 2jqo s GLN 6 N 6.34 3.19 0.31 1.61 0.74 -1.26 -4.98 119.66 125.61 2jqo s GLN 6 Ca 0.84 -0.28 0.11 0.00 0.05 0.00 0.00 55.36 56.09 2jqo s GLN 6 Cb -0.23 -4.34 -0.06 0.00 1.10 0.00 0.00 33.01 29.49 2jqo s GLN 6 CO 0.31 -2.21 -0.15 1.21 -0.55 0.00 0.00 175.29 173.90 2jqo s ASN 7 N 4.25 3.68 0.00 6.67 2.47 -1.26 -5.15 114.94 125.60 2jqo s ASN 7 Ca 0.39 -1.09 0.00 0.00 0.42 0.00 0.00 52.86 52.58 2jqo s ASN 7 Cb -0.07 -0.34 0.00 0.00 -1.45 0.00 0.00 41.25 39.39 2jqo s ASN 7 CO 0.12 -0.07 0.00 0.61 -3.72 0.00 0.00 177.10 174.05 2jqo n GLY 8 N -0.71 0.93 3.04 1.21 0.00 -1.26 -5.09 105.19 103.31 2jqo n GLY 8 Ca -0.05 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 2jqo n GLY 8 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jqo s ASP 9 N -1.00 1.41 0.31 1.61 -1.08 -1.26 -5.02 116.67 111.63 2jqo s ASP 9 Ca 0.00 -0.22 0.03 0.00 -0.52 0.00 0.00 52.55 51.84 2jqo s ASP 9 Cb 0.00 -0.34 0.50 0.00 -1.46 0.00 0.00 42.92 41.62 2jqo s ASP 9 CO 0.00 0.09 1.80 -0.33 0.52 0.00 0.00 175.17 177.26 2jqo h GLU 10 N 6.28 0.54 -6.19 4.34 5.08 -2.08 -3.37 114.58 119.18 2jqo h GLU 10 Ca -0.33 -0.15 -0.56 0.00 -1.00 0.00 0.00 59.36 57.32 2jqo h GLU 10 Cb 1.17 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.27 2jqo h GLU 10 CO 0.49 0.64 1.28 0.99 -1.00 0.00 0.00 179.01 181.40 2jqo s THR 11 N -4.80 3.80 -0.52 1.13 2.01 -1.26 -4.94 115.64 111.05 2jqo s THR 11 Ca -0.08 -0.24 -0.28 0.00 0.31 0.00 0.00 61.69 61.41 2jqo s THR 11 Cb 0.15 -4.91 -0.01 0.00 0.01 0.00 0.00 72.50 67.74 2jqo s THR 11 CO 0.78 -1.82 1.65 -0.75 -0.69 0.00 0.00 174.62 173.79 2jqo s LYS 12 N 5.46 3.09 -0.51 4.92 2.20 -1.26 -4.95 119.74 128.69 2jqo s LYS 12 Ca 0.43 0.73 -0.23 0.00 -0.36 0.00 0.00 55.97 56.54 2jqo s LYS 12 Cb -0.04 -4.23 0.04 0.00 -1.51 0.00 0.00 37.83 32.09 2jqo s LYS 12 CO 0.02 -2.18 0.86 -1.64 -0.36 0.00 0.00 175.35 172.04 2jqo s MET 13 N 6.05 3.35 -0.23 4.03 -1.94 -1.26 -4.53 119.30 124.77 2jqo s MET 13 Ca 0.64 -0.23 -0.10 0.00 -1.71 0.00 0.00 55.69 54.29 2jqo s MET 13 Cb -0.14 -4.01 -0.05 0.00 2.01 0.00 0.00 34.83 32.64 2jqo s MET 13 CO 0.26 -1.32 0.15 -1.14 -0.01 0.00 0.00 175.02 172.95 2jqo s GLN 14 N 3.59 4.05 0.19 2.03 0.74 -0.74 -4.92 119.66 124.61 2jqo s GLN 14 Ca 0.29 -0.28 -0.08 0.00 0.05 0.00 0.00 55.36 55.34 2jqo s GLN 14 Cb -0.13 -3.49 -0.07 0.00 1.10 0.00 0.00 33.01 30.42 2jqo s GLN 14 CO 0.20 0.08 0.48 -1.54 -0.55 0.00 0.00 175.29 173.97 2jqo s SER 15 N 0.98 6.59 -0.11 6.67 1.04 -1.25 -1.07 113.70 126.56 2jqo s SER 15 Ca 0.07 0.81 -0.06 0.00 0.48 0.00 0.00 55.95 57.25 2jqo s SER 15 Cb -0.13 -2.18 0.04 0.00 0.10 0.00 0.00 66.02 63.85 2jqo s SER 15 CO 0.04 -0.01 0.25 -0.22 0.98 0.00 0.00 173.24 174.27 2jqo s LEU 16 N -2.69 0.49 -0.22 2.42 1.98 0.38 -4.94 118.68 116.11 2jqo s LEU 16 Ca 0.44 0.53 -0.12 0.00 -2.89 0.00 0.00 54.13 52.09 2jqo s LEU 16 Cb -0.12 0.77 -0.05 0.00 0.66 0.00 0.00 46.19 47.46 2jqo s LEU 16 CO 0.22 -0.15 0.23 -0.69 -1.89 0.00 0.00 176.35 174.07 2jqo s VAL 17 N 1.10 5.32 0.08 1.68 1.01 -1.26 -0.47 120.40 127.86 2jqo s VAL 17 Ca -0.08 0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 2jqo s VAL 17 Cb -0.09 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.73 2jqo s VAL 17 CO -0.07 0.34 0.25 -0.83 0.00 0.00 0.00 175.10 174.78 2jqo s GLY 18 N 0.89 -0.02 -0.16 4.51 0.00 -0.92 -4.76 107.32 106.87 2jqo s GLY 18 Ca 0.11 -0.39 -0.25 0.00 0.00 0.00 0.00 44.72 44.20 2jqo s GLY 18 CO 0.04 -0.59 0.81 -0.19 0.00 0.00 0.00 173.10 173.17 2jqo s TYR 19 N -3.54 3.43 -0.53 1.90 1.51 0.06 -2.02 117.35 118.16 2jqo s TYR 19 Ca 0.02 1.24 -0.27 0.00 -1.01 0.00 0.00 57.07 57.05 2jqo s TYR 19 Cb 0.03 -2.99 0.03 0.00 -0.11 0.00 0.00 41.96 38.92 2jqo s TYR 19 CO -0.09 -0.21 1.10 0.08 -1.11 0.00 0.00 175.55 175.32 2jqo s VAL 20 N 2.02 4.20 -0.07 0.71 1.01 0.15 -0.74 120.40 127.68 2jqo s VAL 20 Ca 0.38 0.90 -0.00 0.00 0.00 0.00 0.00 61.98 63.25 2jqo s VAL 20 Cb -0.17 -4.62 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 2jqo s VAL 20 CO 0.13 -1.13 -0.06 1.33 0.00 0.00 0.00 175.10 175.37 2jqo n VAL 21 N 6.63 0.37 -4.83 2.92 0.24 -1.16 0.11 118.33 122.62 2jqo n VAL 21 Ca 0.08 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.34 61.95 2jqo n VAL 21 Cb 0.49 -0.84 -0.14 0.00 -1.47 0.00 0.00 33.84 31.87 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 -5.51 2.17 -0.13 1.34 1.43 -1.04 -4.59 118.68 112.37 2jqo s LEU 22 Ca -0.09 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.35 2jqo s LEU 22 Cb 0.02 -1.22 0.05 0.00 0.03 0.00 0.00 46.19 45.07 2jqo s LEU 22 CO 0.15 0.24 0.30 -0.75 0.23 0.00 0.00 176.35 176.52 2jqo s LYS 23 N -1.27 0.29 0.00 1.70 2.20 -1.26 -0.55 119.74 120.85 2jqo s LYS 23 Ca 0.11 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 2jqo s LYS 23 Cb -0.10 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 2jqo s LYS 23 CO 0.02 -0.14 0.00 -0.25 -0.36 0.00 0.00 175.35 174.62 2jqo n ASP 24 N 3.97 1.18 0.03 1.43 8.00 0.12 -5.00 116.55 126.28 2jqo n ASP 24 Ca -0.22 -0.52 -0.00 0.00 0.71 0.00 0.00 54.79 54.75 2jqo n ASP 24 Cb 0.55 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.56 2jqo n ASP 24 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jqo n ASN 25 N -0.94 0.86 -0.05 -2.24 5.15 -1.26 -4.32 115.26 112.45 2jqo n ASN 25 Ca 0.00 0.38 -0.12 0.00 -0.60 0.00 0.00 54.58 54.24 2jqo n ASN 25 Cb 0.00 0.15 -0.14 0.00 -0.53 0.00 0.00 39.78 39.26 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 -2.89 0.67 -3.99 1.20 1.02 -1.26 -4.63 120.64 110.76 2jqo n GLU 26 Ca -0.10 0.18 -0.08 0.00 -0.02 0.00 0.00 57.16 57.14 2jqo n GLU 26 Cb 0.85 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 30.51 2jqo n GLU 26 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jqo s ARG 27 N -2.55 0.83 -0.05 3.49 0.52 -1.26 -0.42 118.95 119.50 2jqo s ARG 27 Ca -0.12 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 53.96 2jqo s ARG 27 Cb 0.07 0.29 0.02 0.00 0.52 0.00 0.00 34.95 35.86 2jqo s ARG 27 CO 0.80 -0.24 -0.03 0.00 0.02 0.00 0.00 175.30 175.84 2jqo s ALA 28 N -3.92 0.68 -0.41 2.13 0.00 -0.15 0.12 121.76 120.21 2jqo s ALA 28 Ca 0.10 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 2jqo s ALA 28 Cb 0.06 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.70 2jqo s ALA 28 CO -0.07 -0.12 0.55 0.42 0.00 0.00 0.00 175.76 176.53 2jqo s ILE 29 N 1.16 4.96 0.09 0.00 1.01 0.28 0.03 121.20 128.72 2jqo s ILE 29 Ca -0.07 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.66 2jqo s ILE 29 Cb -0.14 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2jqo s ILE 29 CO -0.01 -0.45 -0.09 -0.76 0.00 0.00 0.00 174.94 173.63 2jqo s LEU 30 N 2.50 3.08 -0.29 2.97 1.43 0.14 -2.48 118.68 126.03 2jqo s LEU 30 Ca 0.18 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.82 2jqo s LEU 30 Cb -0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2jqo s LEU 30 CO 0.16 0.19 0.26 -0.63 0.23 0.00 0.00 176.35 176.57 2jqo s ILE 31 N -1.18 5.26 -0.70 -0.59 1.01 0.08 0.03 121.20 125.11 2jqo s ILE 31 Ca 0.21 0.25 0.25 0.00 0.00 0.00 0.00 60.65 61.36 2jqo s ILE 31 Cb -0.11 -3.62 0.12 0.00 0.01 0.00 0.00 42.46 38.86 2jqo s ILE 31 CO 0.13 0.18 1.48 0.35 0.00 0.00 0.00 174.94 177.08 2jqo n THR 32 N 5.09 0.39 -1.60 2.92 -2.24 -1.16 -0.76 114.28 116.92 2jqo n THR 32 Ca -0.12 -0.25 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 2jqo n THR 32 Cb 0.51 -0.25 0.07 0.00 -2.10 0.00 0.00 70.33 68.56 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 -4.19 4.92 0.04 3.42 -1.08 -1.24 -4.92 116.67 113.62 2jqo s ASP 33 Ca 0.08 1.38 0.25 0.00 -0.52 0.00 0.00 52.55 53.74 2jqo s ASP 33 Cb 0.14 -2.18 0.45 0.00 -1.46 0.00 0.00 42.92 39.86 2jqo s ASP 33 CO 0.68 -1.71 1.37 0.35 0.52 0.00 0.00 175.17 176.38 2jqo n THR 34 N -3.27 0.12 -2.41 1.71 -2.24 -1.26 -4.75 114.28 102.18 2jqo n THR 34 Ca 0.07 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 2jqo n THR 34 Cb 0.55 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 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 -3.07 3.35 0.20 -0.78 2.47 -1.26 -5.00 119.74 115.65 2jqo s LYS 35 Ca 0.09 0.46 -0.30 0.00 -1.56 0.00 0.00 55.97 54.67 2jqo s LYS 35 Cb 0.16 -4.10 -0.08 0.00 -1.46 0.00 0.00 37.83 32.35 2jqo s LYS 35 CO 0.71 -1.88 1.01 0.00 0.16 0.00 0.00 175.35 175.35 2jqo s ALA 36 N 5.87 3.33 0.65 3.13 0.00 -1.26 -5.02 121.76 128.46 2jqo s ALA 36 Ca 0.52 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 53.01 2jqo s ALA 36 Cb -0.11 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2jqo s ALA 36 CO 0.26 -0.01 1.22 -2.14 0.00 0.00 0.00 175.76 175.08 2jqo s PRO 37 N -0.72 2.63 0.40 0.00 0.02 -1.26 -5.05 135.00 131.03 2jqo s PRO 37 Ca 0.45 1.83 0.01 0.00 0.02 0.00 0.00 61.00 63.32 2jqo s PRO 37 Cb -0.27 -1.88 0.08 0.00 0.02 0.00 0.00 34.50 32.44 2jqo s PRO 37 CO 0.34 -1.48 0.56 0.41 -0.33 0.00 0.00 177.00 176.49 2jqo n GLY 38 N 0.50 0.95 0.28 0.52 0.00 -1.26 -4.86 105.19 101.32 2jqo n GLY 38 Ca 0.14 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.26 0.00 1.61 3.64 -2.00 -0.65 116.57 118.91 2jqo h LYS 39 Ca -0.18 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 2jqo h LYS 39 Cb 0.71 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2jqo h LYS 39 CO 0.21 -0.17 -0.27 0.93 -2.27 0.00 0.00 179.45 177.88 2jqo h GLU 40 N -0.27 0.00 -0.20 1.90 3.07 -1.99 -2.78 114.58 114.31 2jqo h GLU 40 Ca 0.13 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.85 2jqo h GLU 40 Cb 0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2jqo h GLU 40 CO -0.37 0.27 -0.44 -0.44 -1.40 0.00 0.00 179.01 176.63 2jqo h ASP 41 N 0.00 0.53 1.14 1.42 3.32 -1.52 -1.20 116.42 120.11 2jqo h ASP 41 Ca -0.00 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2jqo h ASP 41 Cb 0.61 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2jqo h ASP 41 CO 0.04 0.90 0.00 1.88 -1.72 0.00 0.00 179.24 180.34 2jqo h TYR 42 N 0.40 0.00 0.00 4.55 0.05 -1.01 -2.78 116.97 118.18 2jqo h TYR 42 Ca 0.03 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 2jqo h TYR 42 Cb 0.94 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.67 2jqo h TYR 42 CO 0.03 0.00 -0.87 -0.97 -1.05 0.00 0.00 178.16 175.30 2jqo h ASN 43 N 0.00 0.00 -4.13 3.88 -0.73 -1.17 -3.47 115.58 109.97 2jqo h ASN 43 Ca 0.00 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.64 2jqo h ASN 43 Cb 0.57 0.00 0.13 0.00 0.27 0.00 0.00 38.32 39.29 2jqo h ASN 43 CO 0.00 0.21 0.45 -0.76 -0.37 0.00 0.00 177.43 176.96 2jqo s LEU 44 N -5.75 3.53 0.76 0.34 1.43 -0.54 -5.00 118.68 113.45 2jqo s LEU 44 Ca 0.01 2.39 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 2jqo s LEU 44 Cb 0.08 -4.60 0.05 0.00 0.03 0.00 0.00 46.19 41.75 2jqo s LEU 44 CO 0.77 -1.86 1.08 -0.94 0.23 0.00 0.00 176.35 175.63 2jqo s SER 45 N -1.75 4.84 0.21 2.29 1.04 -1.26 -4.80 113.70 114.27 2jqo s SER 45 Ca 0.77 1.40 -0.09 0.00 0.48 0.00 0.00 55.95 58.51 2jqo s SER 45 Cb -0.31 -2.19 0.30 0.00 0.10 0.00 0.00 66.02 63.92 2jqo s SER 45 CO 0.38 -1.76 1.74 -0.08 0.98 0.00 0.00 173.24 174.50 2jqo h GLU 46 N -0.94 0.39 -0.29 4.02 4.81 -1.97 -0.55 114.58 120.05 2jqo h GLU 46 Ca -0.46 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2jqo h GLU 46 Cb 1.25 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2jqo h GLU 46 CO 0.59 0.26 0.17 0.78 -0.73 0.00 0.00 179.01 180.07 2jqo h GLY 47 N 0.40 0.42 1.03 1.92 0.00 -1.99 -1.15 103.07 103.69 2jqo h GLY 47 Ca 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 2jqo h GLY 47 CO -0.33 0.17 0.49 1.46 0.00 0.00 0.00 176.54 178.33 2jqo h GLN 48 N 0.36 1.24 -0.53 4.80 1.08 -1.73 -1.42 115.11 118.92 2jqo h GLN 48 Ca 0.10 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 2jqo h GLN 48 Cb 0.01 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 2jqo h GLN 48 CO -0.02 0.91 0.20 1.25 -0.95 0.00 0.00 178.83 180.22 2jqo h LEU 49 N 1.25 0.75 -1.69 1.46 5.85 -0.86 0.28 115.31 122.34 2jqo h LEU 49 Ca 0.31 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2jqo h LEU 49 Cb 0.02 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 2jqo h LEU 49 CO -0.05 0.73 -0.15 0.24 -0.34 0.00 0.00 178.44 178.86 2jqo h MET 50 N 0.72 0.00 0.11 1.25 2.86 -0.72 -0.59 114.93 118.56 2jqo h MET 50 Ca 0.18 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.50 2jqo h MET 50 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2jqo h MET 50 CO -0.01 0.15 -1.62 -0.91 1.06 0.00 0.00 176.91 175.58 2jqo h ASN 51 N 0.00 0.36 0.01 1.22 -0.26 -0.66 -2.32 115.58 113.94 2jqo h ASN 51 Ca -0.00 -0.56 -0.20 0.00 -0.56 0.00 0.00 56.30 54.98 2jqo h ASN 51 Cb 0.45 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 2jqo h ASN 51 CO 0.02 1.47 -0.72 0.50 -1.06 0.00 0.00 177.43 177.64 2jqo h LYS 52 N 0.06 0.63 -0.88 0.81 3.64 -0.72 -3.14 116.57 116.98 2jqo h LYS 52 Ca -0.28 -0.49 -0.61 0.00 -1.27 0.00 0.00 60.65 58.01 2jqo h LYS 52 Cb 2.02 0.10 -0.33 0.00 -0.41 0.00 0.00 32.23 33.60 2jqo h LYS 52 CO 0.14 1.11 0.23 1.19 -2.27 0.00 0.00 179.45 179.85 2jqo n PHE 53 N -3.91 2.96 -1.68 1.91 3.72 -0.25 -5.03 117.46 115.18 2jqo n PHE 53 Ca -0.06 -2.64 -0.51 0.00 -0.05 0.00 0.00 57.45 54.19 2jqo n PHE 53 Cb 0.71 -1.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.19 2jqo n PHE 53 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2jqo n LYS 54 N -0.86 1.85 -0.21 -1.08 4.81 -0.87 -1.30 118.16 120.49 2jqo n LYS 54 Ca 0.55 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.66 2jqo n LYS 54 Cb 0.82 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.41 2jqo n LYS 54 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2jqo n ASN 55 N 5.74 0.00 -0.91 3.14 5.15 -1.26 -4.70 115.26 122.42 2jqo n ASN 55 Ca 0.23 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.28 2jqo n ASN 55 Cb 0.24 -0.54 0.24 0.00 -0.53 0.00 0.00 39.78 39.19 2jqo n ASN 55 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2jqo n ASN 56 N 0.00 3.70 -4.07 1.20 5.03 -0.42 -4.83 115.26 115.86 2jqo n ASN 56 Ca 0.00 -2.59 -0.26 0.00 0.87 0.00 0.00 54.58 52.60 2jqo n ASN 56 Cb 0.00 -0.44 -0.17 0.00 -1.02 0.00 0.00 39.78 38.15 2jqo n ASN 56 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2jqo s ILE 57 N -2.06 1.36 -0.13 2.41 2.07 -1.01 -2.96 121.20 120.87 2jqo s ILE 57 Ca 0.37 -0.61 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 2jqo s ILE 57 Cb 0.26 -1.21 -0.01 0.00 0.13 0.00 0.00 42.46 41.63 2jqo s ILE 57 CO 0.13 0.40 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.73 2jqo s VAL 58 N 0.57 2.82 -0.56 4.00 1.01 0.10 -4.02 120.40 124.32 2jqo s VAL 58 Ca -0.15 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 2jqo s VAL 58 Cb -0.16 -2.17 0.09 0.00 0.00 0.00 0.00 36.38 34.13 2jqo s VAL 58 CO 0.05 0.53 0.69 -0.63 0.00 0.00 0.00 175.10 175.73 2jqo s ILE 59 N 0.47 4.82 0.33 2.22 1.01 -0.00 0.25 121.20 130.31 2jqo s ILE 59 Ca -0.11 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 59.51 2jqo s ILE 59 Cb -0.16 -4.43 -0.10 0.00 0.01 0.00 0.00 42.46 37.78 2jqo s ILE 59 CO 0.05 -1.03 0.91 0.68 0.00 0.00 0.00 174.94 175.55 2jqo s VAL 60 N 2.71 4.32 -0.36 2.92 -7.23 0.10 -1.56 120.40 121.31 2jqo s VAL 60 Ca 0.13 1.64 -0.22 0.00 -1.81 0.00 0.00 61.98 61.72 2jqo s VAL 60 Cb -0.22 -3.88 0.01 0.00 0.56 0.00 0.00 36.38 32.85 2jqo s VAL 60 CO 0.08 0.03 0.70 -0.83 -0.31 0.00 0.00 175.10 174.78 2jqo s GLY 61 N -1.78 1.71 -0.08 2.32 0.00 0.59 -0.98 107.32 109.09 2jqo s GLY 61 Ca 0.52 -0.76 0.18 0.00 0.00 0.00 0.00 44.72 44.67 2jqo s GLY 61 CO 0.21 1.61 1.58 1.04 0.00 0.00 0.00 173.10 177.54 2jqo n LEU 62 N 6.21 4.40 0.31 0.66 4.77 0.43 -2.44 117.00 131.36 2jqo n LEU 62 Ca 0.01 -2.22 0.19 0.00 -0.03 0.00 0.00 56.01 53.96 2jqo n LEU 62 Cb 0.48 -0.55 1.03 0.00 -2.33 0.00 0.00 43.42 42.05 2jqo n LEU 62 CO 0.51 0.81 1.13 -1.28 -1.33 0.00 0.00 177.39 177.23 2jqo h SER 63 N 3.98 0.00 -0.23 -1.43 0.87 -1.55 0.63 113.55 115.83 2jqo h SER 63 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jqo h SER 63 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2jqo h SER 63 CO 0.18 0.02 0.00 1.21 -0.53 0.00 0.00 176.83 177.70 2jqo n GLU 64 N -3.38 1.92 -4.01 2.24 2.13 -1.26 -4.91 120.64 113.37 2jqo n GLU 64 Ca -0.03 -1.83 -0.34 0.00 0.66 0.00 0.00 57.16 55.63 2jqo n GLU 64 Cb 0.11 -1.35 -0.15 0.00 0.27 0.00 0.00 31.44 30.33 2jqo n GLU 64 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2jqo s ILE 65 N -1.21 2.64 -0.09 6.31 1.01 0.21 -4.97 121.20 125.10 2jqo s ILE 65 Ca 0.25 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 60.04 2jqo s ILE 65 Cb 0.15 -2.27 -0.24 0.00 0.01 0.00 0.00 42.46 40.12 2jqo s ILE 65 CO 0.22 0.33 0.46 -0.67 0.00 0.00 0.00 174.94 175.28 2jqo n ASP 66 N 4.66 1.09 -1.73 3.58 2.03 -1.26 -4.41 116.55 120.50 2jqo n ASP 66 Ca -0.18 0.28 -0.06 0.00 0.52 0.00 0.00 54.79 55.35 2jqo n ASP 66 Cb 0.48 -0.11 -0.06 0.00 -0.72 0.00 0.00 41.12 40.71 2jqo n ASP 66 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2jqo n ASN 67 N -3.11 5.39 -0.53 1.67 6.94 -1.26 -4.31 115.26 120.04 2jqo n ASN 67 Ca -0.24 -2.49 0.04 0.00 -0.02 0.00 0.00 54.58 51.87 2jqo n ASN 67 Cb 1.06 -1.24 0.12 0.00 -2.36 0.00 0.00 39.78 37.37 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 1.81 0.41 0.06 5.53 -2.24 -1.26 -3.88 114.28 114.70 2jqo n THR 68 Ca 0.19 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 2jqo n THR 68 Cb 0.66 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 2jqo n THR 68 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2jqo h ASP 69 N 1.54 0.57 1.06 3.42 3.58 -1.97 -2.89 116.42 121.73 2jqo h ASP 69 Ca 0.00 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.01 2jqo h ASP 69 Cb 0.41 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2jqo h ASP 69 CO 0.01 1.22 -0.29 -0.90 -2.88 0.00 0.00 179.24 176.40 2jqo n ASP 70 N -3.78 0.61 -4.55 2.28 5.68 -1.25 -4.64 116.55 110.90 2jqo n ASP 70 Ca -0.07 0.29 -0.41 0.00 -0.50 0.00 0.00 54.79 54.11 2jqo n ASP 70 Cb 0.81 -0.27 -0.03 0.00 -1.14 0.00 0.00 41.12 40.50 2jqo n ASP 70 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2jqo s LEU 71 N -3.99 3.20 0.05 -2.12 2.96 -1.09 -4.99 118.68 112.69 2jqo s LEU 71 Ca 0.10 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 2jqo s LEU 71 Cb 0.14 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 2jqo s LEU 71 CO 0.65 -1.83 0.05 -0.54 -1.32 0.00 0.00 176.35 173.35 2jqo s LYS 72 N 5.74 2.85 0.26 1.98 1.02 -1.26 -4.95 119.74 125.38 2jqo s LYS 72 Ca 0.38 -0.66 -0.07 0.00 0.02 0.00 0.00 55.97 55.64 2jqo s LYS 72 Cb -0.08 -2.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.45 2jqo s LYS 72 CO 0.17 0.59 0.55 -0.98 -0.92 0.00 0.00 175.35 174.76 2jqo s ARG 73 N -2.09 3.71 0.00 1.68 1.70 -1.26 -4.28 118.95 118.41 2jqo s ARG 73 Ca 0.26 0.14 0.00 0.00 -0.47 0.00 0.00 55.73 55.66 2jqo s ARG 73 Cb -0.12 -2.65 0.00 0.00 -0.57 0.00 0.00 34.95 31.62 2jqo s ARG 73 CO 0.18 0.26 0.00 0.41 -1.08 0.00 0.00 175.30 175.07 2jqo n GLY 74 N -0.54 1.59 0.00 3.88 0.00 0.30 -4.96 105.19 105.45 2jqo n GLY 74 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2jqo n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqo n GLU 75 N -1.37 0.00 -4.43 1.61 -0.58 -1.08 -4.99 120.64 109.79 2jqo n GLU 75 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 2jqo n GLU 75 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.73 2jqo n GLU 75 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2jqo s LYS 76 N -0.33 0.88 0.05 3.49 1.02 -1.26 0.34 119.74 123.92 2jqo s LYS 76 Ca 0.00 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.54 2jqo s LYS 76 Cb 0.00 -0.85 -0.02 0.00 -0.52 0.00 0.00 37.83 36.44 2jqo s LYS 76 CO 0.00 0.23 -0.10 0.96 -0.92 0.00 0.00 175.35 175.52 2jqo s ILE 77 N -0.42 0.72 -0.42 2.17 -4.36 -0.86 -1.56 121.20 116.47 2jqo s ILE 77 Ca 0.03 -1.07 -0.12 0.00 -0.26 0.00 0.00 60.65 59.23 2jqo s ILE 77 Cb -0.05 -0.74 0.06 0.00 1.25 0.00 0.00 42.46 42.98 2jqo s ILE 77 CO -0.00 -0.28 0.29 -0.75 0.24 0.00 0.00 174.94 174.45 2jqo s LYS 78 N -1.48 2.81 0.06 0.37 2.20 0.10 -2.16 119.74 121.64 2jqo s LYS 78 Ca -0.06 -1.29 -0.05 0.00 -0.36 0.00 0.00 55.97 54.21 2jqo s LYS 78 Cb -0.09 -3.90 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 2jqo s LYS 78 CO 0.01 -0.89 0.30 0.14 -0.36 0.00 0.00 175.35 174.54 2jqo s VAL 79 N 1.55 5.27 -0.32 4.02 -7.23 0.38 0.28 120.40 124.35 2jqo s VAL 79 Ca 0.03 0.05 -0.04 0.00 -1.81 0.00 0.00 61.98 60.21 2jqo s VAL 79 Cb -0.22 -3.60 0.05 0.00 0.56 0.00 0.00 36.38 33.17 2jqo s VAL 79 CO 0.06 0.23 0.05 0.26 -0.31 0.00 0.00 175.10 175.38 2jqo s TRP 80 N -1.44 3.27 0.51 2.82 0.51 0.05 -0.47 118.94 124.19 2jqo s TRP 80 Ca 0.33 -1.69 0.01 0.00 -2.12 0.00 0.00 56.10 52.63 2jqo s TRP 80 Cb -0.13 -2.20 -0.01 0.00 -0.81 0.00 0.00 33.47 30.32 2jqo s TRP 80 CO 0.21 -0.78 0.01 -0.59 -0.51 0.00 0.00 176.95 175.29 2jqo s PHE 81 N 1.32 1.80 0.00 -1.98 -0.12 -0.23 -3.76 117.98 115.00 2jqo s PHE 81 Ca -0.03 -1.01 0.00 0.00 -0.05 0.00 0.00 56.93 55.83 2jqo s PHE 81 Cb -0.20 -1.56 0.00 0.00 -0.63 0.00 0.00 43.02 40.63 2jqo s PHE 81 CO 0.01 0.17 0.00 1.58 -0.05 0.00 0.00 175.22 176.92 2jqo n HIS 82 N -1.27 0.00 -3.98 3.49 -0.00 -1.26 -1.79 115.22 110.41 2jqo n HIS 82 Ca -0.20 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.63 2jqo n HIS 82 Cb 0.67 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.40 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 -1.00 3.63 -0.13 3.57 2.01 -1.26 -5.05 115.64 117.40 2jqo s THR 83 Ca 0.00 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 2jqo s THR 83 Cb 0.00 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 2jqo s THR 83 CO 0.00 0.42 -0.04 0.00 -0.69 0.00 0.00 174.62 174.31 2jqo s ARG 84 N 1.31 3.44 -0.25 4.92 1.70 -1.26 -3.76 118.95 125.05 2jqo s ARG 84 Ca 0.04 -0.50 -0.11 0.00 -0.47 0.00 0.00 55.73 54.69 2jqo s ARG 84 Cb -0.14 -2.85 -0.05 0.00 -0.57 0.00 0.00 34.95 31.33 2jqo s ARG 84 CO -0.01 0.38 0.18 0.15 -1.08 0.00 0.00 175.30 174.92 2jqo s LYS 85 N -0.00 4.05 -0.09 3.89 1.02 0.21 -4.95 119.74 123.87 2jqo s LYS 85 Ca 0.01 -0.25 -0.06 0.00 0.02 0.00 0.00 55.97 55.68 2jqo s LYS 85 Cb -0.13 -3.56 -0.26 0.00 -0.52 0.00 0.00 37.83 33.36 2jqo s LYS 85 CO 0.03 0.01 3.59 0.39 -0.92 0.00 0.00 175.35 178.44 2jqo n GLU 86 N 4.44 2.09 0.15 1.68 1.02 -1.26 -1.02 120.64 127.74 2jqo n GLU 86 Ca -0.14 -1.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.94 2jqo n GLU 86 Cb 0.52 -2.04 0.22 0.00 -0.02 0.00 0.00 31.44 30.11 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 3.12 0.00 -4.94 1.62 0.87 -1.92 -3.48 113.55 108.82 2jqo h SER 87 Ca 0.23 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 2jqo h SER 87 Cb 1.45 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.29 2jqo h SER 87 CO 0.31 0.55 -1.52 -3.20 -0.53 0.00 0.00 176.83 172.45 2jqo n ASN 88 N -3.78 -0.93 -4.75 6.23 5.15 -1.26 -4.88 115.26 111.04 2jqo n ASN 88 Ca -0.01 1.32 -0.34 0.00 -0.60 0.00 0.00 54.58 54.94 2jqo n ASN 88 Cb 0.58 -5.16 0.06 0.00 -0.53 0.00 0.00 39.78 34.73 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 -0.76 2.60 0.32 1.20 0.04 -1.26 -5.09 135.00 132.04 2jqo s PRO 89 Ca -0.26 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 2jqo s PRO 89 Cb 0.02 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 2jqo s PRO 89 CO 0.78 -1.46 1.35 -0.35 0.04 0.00 0.00 177.00 177.36 2jqo n PRO 90 N -2.30 2.20 -5.17 0.56 -0.04 -1.26 -4.73 135.00 124.26 2jqo n PRO 90 Ca 0.12 0.77 -0.32 0.00 -0.04 0.00 0.00 63.50 64.04 2jqo n PRO 90 Cb 0.51 -2.39 -0.15 0.00 -0.04 0.00 0.00 33.50 31.42 2jqo n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jqo s SER 91 N -0.14 3.33 -0.29 3.54 0.15 -0.19 -0.82 113.70 119.28 2jqo s SER 91 Ca 0.58 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2jqo s SER 91 Cb -0.57 -0.69 0.09 0.00 -1.71 0.00 0.00 66.02 63.14 2jqo s SER 91 CO 0.59 0.29 0.05 0.00 1.20 0.00 0.00 173.24 175.38 2jqo s ALA 92 N -0.44 1.87 -0.28 5.45 0.00 -0.60 0.66 121.76 128.42 2jqo s ALA 92 Ca 0.05 -1.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.01 2jqo s ALA 92 Cb -0.12 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 2jqo s ALA 92 CO 0.01 -1.54 1.70 0.99 0.00 0.00 0.00 175.76 176.93 2jqo s THR 93 N 1.44 3.59 0.05 0.00 2.01 -1.25 -0.30 115.64 121.18 2jqo s THR 93 Ca 0.06 0.63 0.02 0.00 0.31 0.00 0.00 61.69 62.71 2jqo s THR 93 Cb -0.18 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2jqo s THR 93 CO -0.16 -0.37 0.05 0.27 -0.69 0.00 0.00 174.62 173.71 2jqo s ILE 94 N 6.02 4.43 -0.05 1.82 -4.36 -1.02 -4.52 121.20 123.51 2jqo s ILE 94 Ca 0.75 -0.68 0.09 0.00 -0.26 0.00 0.00 60.65 60.55 2jqo s ILE 94 Cb -0.23 -3.07 -0.13 0.00 1.25 0.00 0.00 42.46 40.27 2jqo s ILE 94 CO 0.32 0.23 0.12 0.00 0.24 0.00 0.00 174.94 175.84 2jqo n GLN 95 N 0.83 1.48 -3.82 0.37 6.02 -1.25 -4.69 117.38 116.32 2jqo n GLN 95 Ca -0.11 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.71 2jqo n GLN 95 Cb 0.52 -1.23 -0.14 0.00 1.02 0.00 0.00 30.24 30.41 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 -2.43 0.08 0.03 -1.09 2.47 -1.25 -4.95 119.74 112.59 2jqo s LYS 96 Ca -0.04 0.16 -0.00 0.00 -1.56 0.00 0.00 55.97 54.52 2jqo s LYS 96 Cb 0.04 -0.02 -0.03 0.00 -1.46 0.00 0.00 37.83 36.37 2jqo s LYS 96 CO 0.39 -0.05 -0.03 1.52 0.16 0.00 0.00 175.35 177.34 2jqo s TYR 97 N 0.31 0.35 -0.14 4.03 1.13 -1.26 -0.77 117.35 121.01 2jqo s TYR 97 Ca -0.02 -0.72 0.00 0.00 -1.41 0.00 0.00 57.07 54.92 2jqo s TYR 97 Cb -0.03 -0.26 -0.01 0.00 -1.10 0.00 0.00 41.96 40.55 2jqo s TYR 97 CO -0.01 -0.26 -0.14 -2.00 -2.51 0.00 0.00 175.55 170.63 2jqo s GLU 98 N -2.34 3.33 -0.57 -3.49 2.12 0.14 -4.95 118.70 112.94 2jqo s GLU 98 Ca -0.08 -0.71 -0.28 0.00 0.36 0.00 0.00 54.97 54.26 2jqo s GLU 98 Cb -0.04 -2.62 0.03 0.00 0.26 0.00 0.00 34.13 31.76 2jqo s GLU 98 CO -0.04 0.16 1.26 -1.17 -0.54 0.00 0.00 175.26 174.93 2jqo s LEU 99 N 0.48 3.43 -1.27 2.70 2.96 -1.26 0.01 118.68 125.73 2jqo s LEU 99 Ca -0.10 0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 53.82 2jqo s LEU 99 Cb -0.16 -3.14 0.12 0.00 0.50 0.00 0.00 46.19 43.52 2jqo s LEU 99 CO 0.05 -1.55 1.65 0.18 -1.32 0.00 0.00 176.35 175.36 2jqo n LEU 100 N 8.77 5.33 -4.69 -0.68 4.77 -0.60 -4.96 117.00 124.93 2jqo n LEU 100 Ca 0.10 -4.23 -0.42 0.00 -0.03 0.00 0.00 56.01 51.42 2jqo n LEU 100 Cb 0.49 -1.66 -0.03 0.00 -2.33 0.00 0.00 43.42 39.89 2jqo n LEU 100 CO 0.71 0.57 1.32 -0.22 -1.33 0.00 0.00 177.39 178.44 2jqo s LEU 101 N 2.56 4.37 0.45 2.23 2.96 -1.26 -4.21 118.68 125.77 2jqo s LEU 101 Ca 0.47 2.51 -0.04 0.00 -0.22 0.00 0.00 54.13 56.86 2jqo s LEU 101 Cb 0.02 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 2jqo s LEU 101 CO 0.03 -0.88 0.72 -0.70 -1.32 0.00 0.00 176.35 174.20 2jqo s GLU 102 N 2.42 3.51 0.01 1.98 -6.30 -1.26 -5.00 118.70 114.06 2jqo s GLU 102 Ca 0.73 0.05 0.04 0.00 -2.50 0.00 0.00 54.97 53.29 2jqo s GLU 102 Cb -0.40 -2.45 -0.25 0.00 0.00 0.00 0.00 34.13 31.03 2jqo s GLU 102 CO 0.32 -0.12 0.88 1.25 0.02 0.00 0.00 175.26 177.61 2jqo h HIS 103 N 0.36 0.21 -3.20 5.30 -0.00 -2.05 -3.44 115.15 112.33 2jqo h HIS 103 Ca -0.48 -0.16 -0.57 0.00 -0.00 0.00 0.00 60.37 59.17 2jqo h HIS 103 Cb 1.21 -0.01 -0.09 0.00 -0.00 0.00 0.00 27.41 28.53 2jqo h HIS 103 CO 0.56 1.20 0.87 -1.01 -0.00 0.00 0.00 177.93 179.55 2jqo s HIS 104 N -2.63 2.66 0.06 5.26 3.76 -1.26 -5.00 115.29 118.14 2jqo s HIS 104 Ca -0.06 0.31 0.07 0.00 -0.15 0.00 0.00 55.06 55.23 2jqo s HIS 104 Cb 0.08 -4.40 -0.03 0.00 1.11 0.00 0.00 32.58 29.34 2jqo s HIS 104 CO 0.83 -1.52 -0.18 -1.01 -0.85 0.00 0.00 174.74 172.01 2jqo s HIS 105 N 4.70 1.58 -2.13 1.40 3.76 -1.26 -5.02 115.29 118.32 2jqo s HIS 105 Ca 0.40 -0.39 0.16 0.00 -0.15 0.00 0.00 55.06 55.08 2jqo s HIS 105 Cb -0.09 -0.91 0.70 0.00 1.11 0.00 0.00 32.58 33.40 2jqo s HIS 105 CO 0.24 0.11 1.49 1.58 -0.85 0.00 0.00 174.74 177.31 2jqo n HIS 106 N 1.56 0.17 -3.76 1.40 -0.00 -1.26 -4.73 115.22 108.59 2jqo n HIS 106 Ca -0.19 -0.09 -0.13 0.00 0.46 0.00 0.00 57.72 57.77 2jqo n HIS 106 Cb 0.54 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.27 2jqo n HIS 106 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jqo s HIS 107 N -1.83 -0.15 0.00 1.57 5.65 -1.26 -5.33 115.29 113.94 2jqo s HIS 107 Ca 0.26 0.44 0.00 0.00 0.25 0.00 0.00 55.06 56.01 2jqo s HIS 107 Cb 0.14 -0.07 0.00 0.00 -1.18 0.00 0.00 32.58 31.47 2jqo s HIS 107 CO 0.21 -0.15 0.43 0.72 -0.65 0.00 0.00 174.74 175.30