#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqj n VAL 2 N 0.00 0.24 -4.37 2.62 0.31 -1.26 -4.60 118.33 111.28 2oqj n VAL 2 Ca 0.00 -0.33 -0.22 0.00 -0.01 0.00 0.00 64.34 63.78 2oqj n VAL 2 Cb 0.00 -1.96 -0.13 0.00 -0.91 0.00 0.00 33.84 30.84 2oqj n VAL 2 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2oqj s GLN 3 N 6.23 1.07 0.12 5.55 -0.21 -0.72 -4.93 119.66 126.77 2oqj s GLN 3 Ca 1.06 -0.95 0.08 0.00 0.02 0.00 0.00 55.36 55.57 2oqj s GLN 3 Cb -0.68 -1.18 -0.04 0.00 1.00 0.00 0.00 33.01 32.12 2oqj s GLN 3 CO 0.44 0.28 -0.19 -0.51 -2.12 0.00 0.00 175.29 173.20 2oqj s LEU 4 N -1.48 2.35 -0.14 2.90 1.02 -1.26 -0.61 118.68 121.46 2oqj s LEU 4 Ca 0.04 -0.75 -0.04 0.00 0.02 0.00 0.00 54.13 53.40 2oqj s LEU 4 Cb -0.09 -0.79 0.07 0.00 0.02 0.00 0.00 46.19 45.40 2oqj s LEU 4 CO 0.02 -0.01 0.22 0.54 0.02 0.00 0.00 176.35 177.15 2oqj s VAL 5 N -1.55 -0.34 0.12 -1.59 0.11 -0.05 -4.20 120.40 112.89 2oqj s VAL 5 Ca 0.09 0.17 -0.10 0.00 -2.93 0.00 0.00 61.98 59.21 2oqj s VAL 5 Cb -0.08 -0.48 -0.06 0.00 -1.53 0.00 0.00 36.38 34.23 2oqj s VAL 5 CO 0.05 0.02 0.43 -1.61 -3.33 0.00 0.00 175.10 170.66 2oqj s GLU 6 N 2.35 3.77 0.04 1.54 8.01 -1.26 -1.42 118.70 131.73 2oqj s GLU 6 Ca 0.04 0.18 -0.04 0.00 0.01 0.00 0.00 54.97 55.16 2oqj s GLU 6 Cb -0.13 -2.92 -0.02 0.00 -4.31 0.00 0.00 34.13 26.75 2oqj s GLU 6 CO -0.09 0.50 0.06 -1.54 0.01 0.00 0.00 175.26 174.21 2oqj s SER 7 N -1.95 0.25 0.00 -0.19 1.04 -0.57 -4.79 113.70 107.49 2oqj s SER 7 Ca 0.37 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2oqj s SER 7 Cb -0.13 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2oqj s SER 7 CO 0.20 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2oqj n GLY 8 N 0.65 1.33 3.32 7.32 0.00 -1.26 -1.27 105.19 115.28 2oqj n GLY 8 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2oqj n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oqj s GLY 9 N -1.11 1.43 0.00 -0.02 0.00 -1.26 -4.74 107.32 101.62 2oqj s GLY 9 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.05 2oqj s GLY 9 CO 0.00 0.29 0.00 0.61 0.00 0.00 0.00 173.10 174.00 2oqj n GLY 10 N 1.44 0.05 3.55 0.20 0.00 -0.43 -4.99 105.19 105.01 2oqj n GLY 10 Ca 0.10 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 2oqj n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oqj s LEU 11 N 0.00 3.46 -0.03 0.99 1.02 -1.26 -1.77 118.68 121.09 2oqj s LEU 11 Ca 0.00 -0.05 0.05 0.00 0.02 0.00 0.00 54.13 54.14 2oqj s LEU 11 Cb 0.00 -1.85 -0.01 0.00 0.02 0.00 0.00 46.19 44.35 2oqj s LEU 11 CO 0.00 0.17 -0.16 -0.69 0.02 0.00 0.00 176.35 175.68 2oqj s VAL 12 N 0.38 1.33 0.42 -1.59 1.01 -0.35 -5.00 120.40 116.61 2oqj s VAL 12 Ca -0.01 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 2oqj s VAL 12 Cb -0.14 -1.13 -0.09 0.00 0.00 0.00 0.00 36.38 35.02 2oqj s VAL 12 CO 0.02 0.38 0.89 -0.54 0.00 0.00 0.00 175.10 175.85 2oqj s LYS 13 N -0.16 4.07 0.30 2.72 1.02 -1.26 -0.45 119.74 125.98 2oqj s LYS 13 Ca 0.01 0.91 -0.29 0.00 0.02 0.00 0.00 55.97 56.62 2oqj s LYS 13 Cb -0.09 -2.25 -0.11 0.00 -0.52 0.00 0.00 37.83 34.86 2oqj s LYS 13 CO 0.01 -0.04 1.46 0.00 -0.92 0.00 0.00 175.35 175.86 2oqj s ALA 14 N -2.24 3.62 0.00 5.17 0.00 -1.01 -1.32 121.76 125.98 2oqj s ALA 14 Ca 0.58 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.97 2oqj s ALA 14 Cb -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2oqj s ALA 14 CO 0.20 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2oqj n GLY 15 N 1.55 2.06 2.44 0.00 0.00 0.36 -4.55 105.19 107.05 2oqj n GLY 15 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 2oqj n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqj n GLY 16 N -2.00 -1.18 3.39 -0.02 0.00 -0.43 -3.77 105.19 101.18 2oqj n GLY 16 Ca 0.00 -1.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 2oqj n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oqj s SER 17 N -4.02 2.96 -0.28 1.61 0.01 -1.26 -2.20 113.70 110.52 2oqj s SER 17 Ca 0.47 -1.02 -0.22 0.00 1.31 0.00 0.00 55.95 56.49 2oqj s SER 17 Cb -0.01 -0.20 0.11 0.00 0.21 0.00 0.00 66.02 66.13 2oqj s SER 17 CO 0.33 -0.08 0.90 -0.22 0.41 0.00 0.00 173.24 174.57 2oqj s LEU 18 N -3.35 -0.61 -0.09 2.44 2.96 -0.46 -4.99 118.68 114.57 2oqj s LEU 18 Ca 0.25 1.10 0.02 0.00 -0.22 0.00 0.00 54.13 55.28 2oqj s LEU 18 Cb -0.03 2.07 -0.02 0.00 0.50 0.00 0.00 46.19 48.72 2oqj s LEU 18 CO 0.10 -0.18 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.16 2oqj s ILE 19 N 0.68 2.86 -0.08 6.68 1.01 -1.26 -1.09 121.20 129.99 2oqj s ILE 19 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2oqj s ILE 19 Cb -0.05 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 2oqj s ILE 19 CO -0.08 0.56 -0.08 -0.76 0.00 0.00 0.00 174.94 174.58 2oqj s LEU 20 N -0.08 3.10 0.39 2.97 1.43 -0.42 -4.63 118.68 121.44 2oqj s LEU 20 Ca -0.03 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.07 2oqj s LEU 20 Cb -0.14 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2oqj s LEU 20 CO 0.04 0.32 0.24 -0.94 0.23 0.00 0.00 176.35 176.24 2oqj s SER 21 N -0.55 4.73 -0.26 2.29 1.04 -0.40 -0.93 113.70 119.63 2oqj s SER 21 Ca 0.08 -0.87 -0.03 0.00 0.48 0.00 0.00 55.95 55.61 2oqj s SER 21 Cb -0.12 -0.60 0.14 0.00 0.10 0.00 0.00 66.02 65.55 2oqj s SER 21 CO 0.02 -0.51 0.46 0.00 0.98 0.00 0.00 173.24 174.19 2oqj s GLY 23 N 2.66 1.72 0.16 0.00 0.00 -0.51 -1.48 107.32 109.87 2oqj s GLY 23 Ca 0.13 -1.55 0.04 0.00 0.00 0.00 0.00 44.72 43.33 2oqj s GLY 23 CO -0.17 -1.45 -0.08 -1.34 0.00 0.00 0.00 173.10 170.06 2oqj s VAL 24 N -2.24 1.09 -0.03 1.40 -7.23 -1.25 -0.87 120.40 111.27 2oqj s VAL 24 Ca 0.46 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.63 2oqj s VAL 24 Cb -0.09 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 2oqj s VAL 24 CO 0.30 -0.66 -0.16 -0.44 -0.31 0.00 0.00 175.10 173.83 2oqj s SER 25 N -3.19 2.01 -0.88 4.85 0.01 0.22 -4.89 113.70 111.83 2oqj s SER 25 Ca 0.19 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2oqj s SER 25 Cb 0.03 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2oqj s SER 25 CO 0.02 0.17 0.00 0.59 0.41 0.00 0.00 173.24 174.43 2oqj n ASN 26 N 2.96 -3.53 -3.61 2.44 3.02 -1.26 -1.75 115.26 113.52 2oqj n ASN 26 Ca -0.17 0.06 -0.04 0.00 -0.03 0.00 0.00 54.58 54.41 2oqj n ASN 26 Cb 0.54 -2.53 -0.02 0.00 -0.61 0.00 0.00 39.78 37.16 2oqj n ASN 26 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2oqj s PHE 27 N -2.44 -0.17 -0.19 3.10 -0.71 -1.26 -4.61 117.98 111.70 2oqj s PHE 27 Ca 0.00 0.03 -0.10 0.00 -1.04 0.00 0.00 56.93 55.82 2oqj s PHE 27 Cb 0.00 0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 42.32 2oqj s PHE 27 CO 0.00 -0.45 0.14 1.03 -1.34 0.00 0.00 175.22 174.59 2oqj s ARG 28 N -2.81 4.07 0.44 1.99 1.81 -1.26 -4.98 118.95 118.21 2oqj s ARG 28 Ca 0.10 -0.20 0.24 0.00 -1.72 0.00 0.00 55.73 54.15 2oqj s ARG 28 Cb 0.00 -3.38 0.92 0.00 -0.45 0.00 0.00 34.95 32.04 2oqj s ARG 28 CO -0.04 0.38 1.83 -0.84 -0.68 0.00 0.00 175.30 175.94 2oqj h ILE 29 N 4.56 0.56 0.00 1.52 3.07 -1.94 -3.30 117.51 121.98 2oqj h ILE 29 Ca -0.43 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 64.86 2oqj h ILE 29 Cb 1.16 1.76 0.00 0.00 -0.27 0.00 0.00 36.82 39.47 2oqj h ILE 29 CO 0.73 0.22 0.18 0.77 -1.05 0.00 0.00 178.15 179.00 2oqj h SER 30 N 0.00 0.00 1.09 2.16 4.64 -1.95 0.92 113.55 120.41 2oqj h SER 30 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oqj h SER 30 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2oqj h SER 30 CO 0.03 0.00 -0.33 0.00 -0.87 0.00 0.00 176.83 175.66 2oqj n ALA 31 N -1.97 2.67 -2.45 5.18 0.00 -1.24 -4.67 120.51 118.04 2oqj n ALA 31 Ca -0.02 -0.16 -0.26 0.00 0.00 0.00 0.00 53.44 53.00 2oqj n ALA 31 Cb 0.23 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 2oqj n ALA 31 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2oqj s HIS 32 N -3.12 2.10 0.10 0.00 3.76 0.32 -4.99 115.29 113.47 2oqj s HIS 32 Ca 0.09 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.30 2oqj s HIS 32 Cb 0.14 -1.10 -0.06 0.00 1.11 0.00 0.00 32.58 32.66 2oqj s HIS 32 CO 0.66 0.35 1.20 0.99 -0.85 0.00 0.00 174.74 177.09 2oqj s THR 33 N -1.39 3.87 -0.05 1.30 2.01 -1.26 -4.33 115.64 115.79 2oqj s THR 33 Ca 0.14 1.41 -0.01 0.00 0.31 0.00 0.00 61.69 63.54 2oqj s THR 33 Cb -0.09 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2oqj s THR 33 CO 0.07 0.15 0.02 -0.04 -0.69 0.00 0.00 174.62 174.12 2oqj s MET 34 N 0.66 2.95 0.04 4.92 1.00 -0.94 -1.41 119.30 126.52 2oqj s MET 34 Ca 0.57 -0.47 0.05 0.00 0.00 0.00 0.00 55.69 55.84 2oqj s MET 34 Cb -0.31 -2.78 -0.02 0.00 0.00 0.00 0.00 34.83 31.72 2oqj s MET 34 CO 0.31 0.67 -0.15 -0.80 0.00 0.00 0.00 175.02 175.06 2oqj s ASN 35 N -1.21 1.74 -0.19 3.03 0.01 0.40 -1.82 114.94 116.90 2oqj s ASN 35 Ca 0.17 -0.47 -0.06 0.00 -0.71 0.00 0.00 52.86 51.78 2oqj s ASN 35 Cb -0.11 -0.11 -0.03 0.00 0.41 0.00 0.00 41.25 41.40 2oqj s ASN 35 CO 0.06 0.04 0.03 0.26 -1.51 0.00 0.00 177.10 175.98 2oqj s TRP 36 N -0.87 3.14 0.08 2.20 0.52 0.05 -0.27 118.94 123.80 2oqj s TRP 36 Ca 0.02 -0.16 0.07 0.00 0.02 0.00 0.00 56.10 56.05 2oqj s TRP 36 Cb -0.08 -2.07 -0.03 0.00 -1.15 0.00 0.00 33.47 30.14 2oqj s TRP 36 CO 0.01 -0.02 -0.18 0.08 0.02 0.00 0.00 176.95 176.86 2oqj s VAL 37 N 0.63 1.49 -0.01 4.03 1.01 0.15 -0.73 120.40 126.97 2oqj s VAL 37 Ca 0.01 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 60.64 2oqj s VAL 37 Cb -0.14 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 2oqj s VAL 37 CO 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 175.10 174.94 2oqj s ARG 38 N -1.71 0.92 -0.33 2.72 1.70 -0.18 0.82 118.95 122.90 2oqj s ARG 38 Ca 0.04 -0.38 -0.12 0.00 -0.47 0.00 0.00 55.73 54.80 2oqj s ARG 38 Cb -0.10 -0.88 -0.02 0.00 -0.57 0.00 0.00 34.95 33.38 2oqj s ARG 38 CO 0.03 0.21 0.21 0.50 -1.08 0.00 0.00 175.30 175.18 2oqj s ARG 39 N -0.16 3.50 0.73 3.89 3.52 0.12 -0.39 118.95 130.16 2oqj s ARG 39 Ca 0.03 -0.63 -0.11 0.00 -0.13 0.00 0.00 55.73 54.88 2oqj s ARG 39 Cb -0.05 -3.73 0.03 0.00 -1.56 0.00 0.00 34.95 29.63 2oqj s ARG 39 CO -0.00 -0.41 1.10 0.14 -0.81 0.00 0.00 175.30 175.32 2oqj s VAL 40 N 1.70 3.32 0.54 7.11 -7.23 -0.98 -0.75 120.40 124.11 2oqj s VAL 40 Ca 0.06 0.43 0.22 0.00 -1.81 0.00 0.00 61.98 60.88 2oqj s VAL 40 Cb -0.17 -3.39 0.32 0.00 0.56 0.00 0.00 36.38 33.70 2oqj s VAL 40 CO 0.09 -0.56 2.13 -0.65 -0.31 0.00 0.00 175.10 175.80 2oqj h PRO 41 N -0.75 0.00 -0.36 4.82 0.11 -1.91 -2.26 132.00 131.66 2oqj h PRO 41 Ca -0.45 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.76 2oqj h PRO 41 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2oqj h PRO 41 CO 0.63 0.00 0.26 0.78 -0.21 0.00 0.00 178.00 179.46 2oqj h GLY 42 N 0.00 0.00 0.00 -0.55 0.00 -1.97 -3.46 103.07 97.09 2oqj h GLY 42 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2oqj h GLY 42 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2oqj n GLY 43 N -1.61 1.01 3.92 4.60 0.00 -0.85 -5.12 105.19 107.14 2oqj n GLY 43 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2oqj n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oqj s GLY 44 N -0.97 1.64 0.08 -0.02 0.00 -1.26 -4.83 107.32 101.96 2oqj s GLY 44 Ca 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.00 2oqj s GLY 44 CO 0.00 -0.37 0.15 1.08 0.00 0.00 0.00 173.10 173.96 2oqj s LEU 45 N -5.21 4.07 -0.06 0.66 1.43 -1.26 -2.33 118.68 115.98 2oqj s LEU 45 Ca 0.58 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 2oqj s LEU 45 Cb -0.11 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.42 2oqj s LEU 45 CO 0.46 0.16 -0.06 -1.61 0.23 0.00 0.00 176.35 175.54 2oqj s GLU 46 N -2.49 1.03 0.08 1.70 2.02 0.47 -4.99 118.70 116.53 2oqj s GLU 46 Ca 0.32 -0.15 -0.31 0.00 0.02 0.00 0.00 54.97 54.86 2oqj s GLU 46 Cb -0.12 -1.04 -0.07 0.00 0.10 0.00 0.00 34.13 33.00 2oqj s GLU 46 CO 0.25 -0.11 1.29 -0.46 0.02 0.00 0.00 175.26 176.24 2oqj s TRP 47 N 1.11 3.32 -0.17 1.61 -0.00 -1.26 -1.01 118.94 122.55 2oqj s TRP 47 Ca -0.08 1.13 -0.13 0.00 -0.00 0.00 0.00 56.10 57.02 2oqj s TRP 47 Cb -0.14 -3.54 -0.07 0.00 -0.00 0.00 0.00 33.47 29.72 2oqj s TRP 47 CO -0.01 -1.80 -0.29 0.28 -0.00 0.00 0.00 176.95 175.14 2oqj n VAL 48 N 3.99 1.36 -3.65 5.86 0.31 0.10 -4.57 118.33 121.72 2oqj n VAL 48 Ca 0.10 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.32 2oqj n VAL 48 Cb 0.44 -2.03 -0.02 0.00 -0.91 0.00 0.00 33.84 31.32 2oqj n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oqj s ALA 49 N -2.60 -1.40 -0.05 3.52 0.00 -1.09 -1.32 121.76 118.83 2oqj s ALA 49 Ca -0.27 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.52 2oqj s ALA 49 Cb 0.07 0.87 0.05 0.00 0.00 0.00 0.00 23.12 24.11 2oqj s ALA 49 CO 0.37 -0.91 0.53 -1.54 0.00 0.00 0.00 175.76 174.21 2oqj s SER 50 N -2.84 -0.48 -0.04 0.00 1.04 -0.12 -0.77 113.70 110.49 2oqj s SER 50 Ca 0.06 0.54 0.07 0.00 0.48 0.00 0.00 55.95 57.10 2oqj s SER 50 Cb -0.04 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 2oqj s SER 50 CO -0.02 -0.51 -0.23 0.27 0.98 0.00 0.00 173.24 173.73 2oqj s ILE 51 N -1.08 2.25 0.87 -1.02 -0.00 -0.75 -1.46 121.20 120.01 2oqj s ILE 51 Ca -0.11 -1.02 -0.12 0.00 -0.00 0.00 0.00 60.65 59.40 2oqj s ILE 51 Cb -0.02 -1.81 0.12 0.00 -0.00 0.00 0.00 42.46 40.74 2oqj s ILE 51 CO 0.07 0.58 1.13 -0.94 -0.00 0.00 0.00 174.94 175.77 2oqj s SER 52 N -0.50 3.84 0.37 4.36 1.04 -0.41 -2.21 113.70 120.19 2oqj s SER 52 Ca 0.06 1.06 -0.26 0.00 0.48 0.00 0.00 55.95 57.29 2oqj s SER 52 Cb -0.11 -1.68 -0.12 0.00 0.10 0.00 0.00 66.02 64.21 2oqj s SER 52 CO 0.01 -2.35 1.13 0.35 0.98 0.00 0.00 173.24 173.35 2oqj n THR 52 N -3.65 2.22 -4.19 2.02 -2.24 -1.26 -1.98 114.28 105.19 2oqj n THR 52 Ca 0.07 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 60.99 2oqj n THR 52 Cb 0.58 -1.30 -0.05 0.00 -2.10 0.00 0.00 70.33 67.46 2oqj n THR 52 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2oqj n SER 53 N 0.72 -2.21 -1.83 3.42 3.41 -1.26 -3.11 113.62 112.75 2oqj n SER 53 Ca 0.08 -0.96 -0.17 0.00 -0.26 0.00 0.00 58.87 57.56 2oqj n SER 53 Cb 0.37 -1.89 -0.05 0.00 -0.26 0.00 0.00 64.21 62.37 2oqj n SER 53 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2oqj n SER 54 N -2.39 -4.57 -0.34 4.04 7.64 -0.84 -4.86 113.62 112.30 2oqj n SER 54 Ca 0.09 0.29 -0.04 0.00 1.01 0.00 0.00 58.87 60.23 2oqj n SER 54 Cb 0.47 -4.02 0.09 0.00 -1.01 0.00 0.00 64.21 59.74 2oqj n SER 54 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2oqj h THR 55 N 0.00 1.25 -3.32 0.44 2.02 -1.72 -3.43 112.91 108.15 2oqj h THR 55 Ca -0.36 -0.56 -0.20 0.00 0.77 0.00 0.00 66.41 66.05 2oqj h THR 55 Cb 1.16 -0.02 -0.28 0.00 -1.74 0.00 0.00 68.15 67.27 2oqj h THR 55 CO 0.49 0.27 -0.56 -0.47 0.37 0.00 0.00 175.52 175.62 2oqj s TYR 56 N -5.95 -0.17 -0.10 3.16 5.04 -1.26 -5.03 117.35 113.04 2oqj s TYR 56 Ca -0.13 0.44 0.03 0.00 -2.44 0.00 0.00 57.07 54.98 2oqj s TYR 56 Cb 0.17 0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.49 2oqj s TYR 56 CO 0.82 -0.11 -0.21 1.03 -1.34 0.00 0.00 175.55 175.74 2oqj s ARG 57 N 0.43 3.05 0.01 4.97 0.52 -1.26 -1.28 118.95 125.39 2oqj s ARG 57 Ca -0.03 -0.82 0.08 0.00 -0.52 0.00 0.00 55.73 54.44 2oqj s ARG 57 Cb -0.04 -2.37 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 2oqj s ARG 57 CO -0.02 0.23 -0.26 0.34 0.02 0.00 0.00 175.30 175.62 2oqj s ASP 58 N 0.23 3.17 0.12 0.23 2.15 -0.54 -4.99 116.67 117.05 2oqj s ASP 58 Ca -0.14 -0.52 0.06 0.00 0.43 0.00 0.00 52.55 52.39 2oqj s ASP 58 Cb -0.17 -0.34 -0.04 0.00 -0.30 0.00 0.00 42.92 42.08 2oqj s ASP 58 CO 0.07 0.29 -0.15 -0.31 -0.17 0.00 0.00 175.17 174.89 2oqj s TYR 59 N -0.73 1.47 0.53 -5.34 2.02 -1.26 -0.95 117.35 113.10 2oqj s TYR 59 Ca 0.11 -0.51 -0.19 0.00 -0.37 0.00 0.00 57.07 56.11 2oqj s TYR 59 Cb -0.10 -0.78 -0.06 0.00 -0.40 0.00 0.00 41.96 40.62 2oqj s TYR 59 CO 0.01 0.16 1.10 0.00 -1.57 0.00 0.00 175.55 175.25 2oqj s ALA 60 N -1.86 2.73 0.26 3.71 0.00 -0.43 -4.86 121.76 121.32 2oqj s ALA 60 Ca 0.08 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 52.76 2oqj s ALA 60 Cb -0.06 -3.33 0.47 0.00 0.00 0.00 0.00 23.12 20.19 2oqj s ALA 60 CO 0.03 -0.67 1.79 -0.44 0.00 0.00 0.00 175.76 176.48 2oqj h ASP 61 N 1.23 0.64 0.74 0.00 3.32 -1.93 -0.30 116.42 120.13 2oqj h ASP 61 Ca -0.50 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2oqj h ASP 61 Cb 1.25 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2oqj h ASP 61 CO 0.57 0.33 0.00 0.00 -1.72 0.00 0.00 179.24 178.42 2oqj h ALA 62 N 1.50 1.00 -0.00 3.45 0.00 -1.97 -2.96 119.26 120.28 2oqj h ALA 62 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2oqj h ALA 62 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2oqj h ALA 62 CO -0.30 0.00 -0.17 1.33 0.00 0.00 0.00 179.25 180.12 2oqj n VAL 63 N -2.88 0.00 -1.70 0.00 0.24 -0.88 -4.99 118.33 108.12 2oqj n VAL 63 Ca 0.00 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.34 61.46 2oqj n VAL 63 Cb 0.24 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 2oqj n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2oqj n LYS 64 N -0.82 2.74 0.00 7.34 4.81 -0.17 -1.42 118.16 130.64 2oqj n LYS 64 Ca 0.01 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 2oqj n LYS 64 Cb 0.08 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.27 2oqj n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2oqj n GLY 65 N 4.10 3.29 0.06 3.14 0.00 -1.26 -4.84 105.19 109.68 2oqj n GLY 65 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 2oqj n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqj n ARG 66 N -1.41 1.52 -4.02 1.61 1.74 -0.51 -5.01 116.66 110.58 2oqj n ARG 66 Ca 0.00 0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 2oqj n ARG 66 Cb 0.00 -1.30 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 2oqj n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2oqj s PHE 67 N -2.29 3.27 -0.04 -1.55 0.40 -0.81 -2.05 117.98 114.91 2oqj s PHE 67 Ca -0.11 0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.36 2oqj s PHE 67 Cb 0.04 -1.65 0.01 0.00 0.51 0.00 0.00 43.02 41.93 2oqj s PHE 67 CO 0.44 0.54 -0.08 0.99 0.70 0.00 0.00 175.22 177.81 2oqj s THR 68 N -1.42 0.74 -0.15 0.64 2.01 -0.22 -4.92 115.64 112.32 2oqj s THR 68 Ca 0.31 -0.29 -0.03 0.00 0.31 0.00 0.00 61.69 61.98 2oqj s THR 68 Cb -0.12 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 2oqj s THR 68 CO 0.23 0.25 -0.05 0.54 -0.69 0.00 0.00 174.62 174.91 2oqj s VAL 69 N 0.54 3.77 0.15 3.82 0.11 -1.26 0.16 120.40 127.69 2oqj s VAL 69 Ca -0.09 -0.40 0.04 0.00 -2.93 0.00 0.00 61.98 58.61 2oqj s VAL 69 Cb -0.12 -2.65 -0.04 0.00 -1.53 0.00 0.00 36.38 32.04 2oqj s VAL 69 CO 0.01 0.49 -0.10 -0.44 -3.33 0.00 0.00 175.10 171.74 2oqj s SER 70 N 0.40 1.79 0.04 3.54 0.01 -0.88 -4.94 113.70 113.67 2oqj s SER 70 Ca -0.05 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.21 2oqj s SER 70 Cb -0.14 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 2oqj s SER 70 CO 0.03 -0.34 -0.06 0.00 0.41 0.00 0.00 173.24 173.28 2oqj s ARG 71 N -3.75 0.50 -0.42 12.44 1.70 -1.26 -0.26 118.95 127.90 2oqj s ARG 71 Ca 0.17 -0.78 0.02 0.00 -0.47 0.00 0.00 55.73 54.67 2oqj s ARG 71 Cb 0.03 -0.17 0.12 0.00 -0.57 0.00 0.00 34.95 34.36 2oqj s ARG 71 CO 0.01 0.01 0.19 0.34 -1.08 0.00 0.00 175.30 174.77 2oqj s ASP 72 N -1.70 3.98 0.25 -2.89 -1.08 0.10 -5.00 116.67 110.35 2oqj s ASP 72 Ca -0.09 -2.44 -0.01 0.00 -0.52 0.00 0.00 52.55 49.49 2oqj s ASP 72 Cb -0.08 -1.18 0.32 0.00 -1.46 0.00 0.00 42.92 40.52 2oqj s ASP 72 CO -0.01 -0.30 1.70 0.44 0.52 0.00 0.00 175.17 177.52 2oqj h ASP 73 N 7.07 0.64 -0.52 -0.34 3.32 -1.97 0.16 116.42 124.78 2oqj h ASP 73 Ca -0.05 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 2oqj h ASP 73 Cb 0.95 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2oqj h ASP 73 CO 0.52 0.83 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.70 2oqj h LEU 74 N 0.57 1.01 -2.57 1.55 3.38 -1.97 -3.24 115.31 114.05 2oqj h LEU 74 Ca 0.09 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2oqj h LEU 74 Cb 0.64 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2oqj h LEU 74 CO 0.05 1.11 0.00 1.21 0.09 0.00 0.00 178.44 180.90 2oqj n GLU 75 N -4.15 2.37 -3.35 1.13 4.07 -1.21 -5.03 120.64 114.48 2oqj n GLU 75 Ca 0.02 -1.87 -0.15 0.00 -0.06 0.00 0.00 57.16 55.10 2oqj n GLU 75 Cb 0.40 -1.26 0.03 0.00 -0.06 0.00 0.00 31.44 30.55 2oqj n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2oqj n ASP 76 N 0.55 -6.55 -4.05 4.31 9.92 0.48 -4.93 116.55 116.28 2oqj n ASP 76 Ca 0.11 -0.58 -0.13 0.00 -0.53 0.00 0.00 54.79 53.65 2oqj n ASP 76 Cb 0.40 -4.40 -0.12 0.00 -0.64 0.00 0.00 41.12 36.36 2oqj n ASP 76 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2oqj s PHE 77 N -3.22 0.66 0.02 1.24 0.08 -0.74 -3.74 117.98 112.27 2oqj s PHE 77 Ca 0.25 -0.45 0.07 0.00 0.12 0.00 0.00 56.93 56.91 2oqj s PHE 77 Cb -0.06 -0.40 -0.02 0.00 -0.57 0.00 0.00 43.02 41.97 2oqj s PHE 77 CO 0.79 -0.07 -0.20 0.08 -0.10 0.00 0.00 175.22 175.72 2oqj s VAL 78 N -1.23 1.60 0.18 -0.44 1.01 -0.55 0.03 120.40 121.01 2oqj s VAL 78 Ca -0.08 -1.03 0.11 0.00 0.00 0.00 0.00 61.98 60.98 2oqj s VAL 78 Cb -0.09 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2oqj s VAL 78 CO 0.00 0.31 -0.24 -0.31 0.00 0.00 0.00 175.10 174.87 2oqj s TYR 79 N -0.65 2.24 -0.21 5.22 2.02 0.64 -1.40 117.35 125.21 2oqj s TYR 79 Ca 0.07 -0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 56.36 2oqj s TYR 79 Cb -0.08 -1.12 0.07 0.00 -0.40 0.00 0.00 41.96 40.43 2oqj s TYR 79 CO 0.01 0.46 0.10 -1.17 -1.57 0.00 0.00 175.55 173.37 2oqj s LEU 80 N -2.59 0.47 -0.07 -1.29 2.96 -0.10 -2.06 118.68 116.00 2oqj s LEU 80 Ca 0.19 -0.84 -0.23 0.00 -0.22 0.00 0.00 54.13 53.03 2oqj s LEU 80 Cb -0.08 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 2oqj s LEU 80 CO 0.09 -0.38 0.69 -1.10 -1.32 0.00 0.00 176.35 174.33 2oqj s GLN 81 N 2.11 4.43 -0.19 1.98 -0.21 0.12 -1.29 119.66 126.61 2oqj s GLN 81 Ca 0.04 0.86 0.01 0.00 0.02 0.00 0.00 55.36 56.29 2oqj s GLN 81 Cb -0.16 -3.44 0.04 0.00 1.00 0.00 0.00 33.01 30.44 2oqj s GLN 81 CO -0.18 0.07 -0.13 -1.64 -2.12 0.00 0.00 175.29 171.30 2oqj s MET 82 N 0.78 2.27 0.36 2.91 -1.94 -0.25 -1.06 119.30 122.38 2oqj s MET 82 Ca 0.37 -0.83 0.09 0.00 -1.71 0.00 0.00 55.69 53.61 2oqj s MET 82 Cb -0.18 -2.42 -0.06 0.00 2.01 0.00 0.00 34.83 34.18 2oqj s MET 82 CO 0.18 -0.36 -0.01 -1.01 -0.01 0.00 0.00 175.02 173.81 2oqj s HIS 82 N 1.37 2.50 -0.90 -0.03 3.76 -0.87 -1.36 115.29 119.76 2oqj s HIS 82 Ca 0.00 -0.50 -0.20 0.00 -0.15 0.00 0.00 55.06 54.21 2oqj s HIS 82 Cb -0.15 -1.54 0.03 0.00 1.11 0.00 0.00 32.58 32.03 2oqj s HIS 82 CO -0.09 0.48 0.54 1.63 -0.85 0.00 0.00 174.74 176.45 2oqj n LYS 82 N -0.93 -0.64 -2.44 1.40 5.02 -1.14 -4.78 118.16 114.64 2oqj n LYS 82 Ca -0.04 0.16 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 2oqj n LYS 82 Cb 0.64 -1.82 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 2oqj n LYS 82 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2oqj s MET 82 N -6.22 4.53 0.18 1.97 -1.94 -0.93 -4.66 119.30 112.24 2oqj s MET 82 Ca 0.28 1.80 0.03 0.00 -1.71 0.00 0.00 55.69 56.09 2oqj s MET 82 Cb -0.15 -3.26 -0.03 0.00 2.01 0.00 0.00 34.83 33.39 2oqj s MET 82 CO 0.78 -0.02 0.32 1.03 -0.01 0.00 0.00 175.02 177.11 2oqj s ARG 83 N -0.23 3.44 0.24 2.03 0.52 -1.26 -0.48 118.95 123.21 2oqj s ARG 83 Ca 0.51 -0.65 -0.05 0.00 -0.52 0.00 0.00 55.73 55.03 2oqj s ARG 83 Cb -0.31 -2.93 0.37 0.00 0.52 0.00 0.00 34.95 32.60 2oqj s ARG 83 CO 0.35 0.48 1.83 0.28 0.02 0.00 0.00 175.30 178.26 2oqj h VAL 84 N 1.45 0.96 0.00 3.52 2.07 -1.89 -1.29 116.25 121.08 2oqj h VAL 84 Ca -0.50 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2oqj h VAL 84 Cb 1.21 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2oqj h VAL 84 CO 0.66 0.16 0.00 -1.84 0.02 0.00 0.00 177.57 176.56 2oqj n GLU 85 N -4.70 0.39 0.08 1.57 0.00 -1.26 -1.52 120.64 115.21 2oqj n GLU 85 Ca 0.13 0.03 0.13 0.00 0.00 0.00 0.00 57.16 57.45 2oqj n GLU 85 Cb 0.24 -1.50 0.46 0.00 0.00 0.00 0.00 31.44 30.64 2oqj n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2oqj n ASP 86 N -1.06 0.59 -4.66 -1.84 8.00 -0.49 -4.79 116.55 112.29 2oqj n ASP 86 Ca 0.10 0.57 -0.43 0.00 0.71 0.00 0.00 54.79 55.74 2oqj n ASP 86 Cb 0.06 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 40.40 2oqj n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2oqj n THR 87 N -2.07 0.72 -3.73 -3.53 -1.04 -0.58 -4.89 114.28 99.16 2oqj n THR 87 Ca 0.05 -0.13 0.02 0.00 -2.04 0.00 0.00 64.05 61.95 2oqj n THR 87 Cb 0.36 -2.26 0.00 0.00 -1.82 0.00 0.00 70.33 66.62 2oqj n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2oqj s ALA 88 N 4.29 -2.28 -0.12 2.41 0.00 -0.39 -4.53 121.76 121.15 2oqj s ALA 88 Ca 0.89 0.47 -0.20 0.00 0.00 0.00 0.00 51.96 53.12 2oqj s ALA 88 Cb -0.47 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2oqj s ALA 88 CO 0.43 -1.08 0.54 0.42 0.00 0.00 0.00 175.76 176.07 2oqj s ILE 89 N -2.30 5.14 -0.20 0.00 1.01 0.07 -1.51 121.20 123.41 2oqj s ILE 89 Ca 0.19 1.09 -0.07 0.00 0.00 0.00 0.00 60.65 61.86 2oqj s ILE 89 Cb 0.03 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2oqj s ILE 89 CO -0.03 0.28 0.05 -0.31 0.00 0.00 0.00 174.94 174.93 2oqj s TYR 90 N 0.85 3.16 -0.04 3.97 1.51 -0.03 0.15 117.35 126.92 2oqj s TYR 90 Ca 0.29 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.28 2oqj s TYR 90 Cb -0.16 -2.11 -0.02 0.00 -0.11 0.00 0.00 41.96 39.56 2oqj s TYR 90 CO 0.12 -0.03 -0.23 0.71 -1.11 0.00 0.00 175.55 175.01 2oqj s TYR 91 N 0.75 2.46 0.05 2.71 1.51 0.24 -0.77 117.35 124.31 2oqj s TYR 91 Ca 0.03 -0.48 -0.15 0.00 -1.01 0.00 0.00 57.07 55.46 2oqj s TYR 91 Cb -0.14 -1.57 -0.06 0.00 -0.11 0.00 0.00 41.96 40.08 2oqj s TYR 91 CO 0.02 -0.05 0.48 0.00 -1.11 0.00 0.00 175.55 174.88 2oqj s ALA 93 N -1.19 0.01 -0.09 0.00 0.00 0.63 -1.64 121.76 119.48 2oqj s ALA 93 Ca 0.29 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 2oqj s ALA 93 Cb -0.17 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2oqj s ALA 93 CO 0.16 -0.14 0.13 -0.98 0.00 0.00 0.00 175.76 174.93 2oqj s ARG 94 N -1.16 3.36 -0.32 0.00 1.70 -0.72 -0.45 118.95 121.35 2oqj s ARG 94 Ca -0.13 -0.22 -0.29 0.00 -0.47 0.00 0.00 55.73 54.62 2oqj s ARG 94 Cb -0.08 -3.10 0.02 0.00 -0.57 0.00 0.00 34.95 31.22 2oqj s ARG 94 CO -0.00 0.74 1.07 0.21 -1.08 0.00 0.00 175.30 176.24 2oqj s LYS 95 N -1.23 4.05 -0.09 3.89 2.20 -0.50 -2.80 119.74 125.26 2oqj s LYS 95 Ca 0.18 1.05 -0.31 0.00 -0.36 0.00 0.00 55.97 56.53 2oqj s LYS 95 Cb -0.12 -3.74 0.10 0.00 -1.51 0.00 0.00 37.83 32.56 2oqj s LYS 95 CO 0.07 -0.91 1.37 0.20 -0.36 0.00 0.00 175.35 175.72 2oqj s GLY 96 N 1.68 -0.22 0.27 5.54 0.00 0.39 -4.35 107.32 110.63 2oqj s GLY 96 Ca 0.45 0.18 -0.14 0.00 0.00 0.00 0.00 44.72 45.21 2oqj s GLY 96 CO 0.16 6.68 0.73 -1.14 0.00 0.00 0.00 173.10 179.53 2oqj n SER 97 N -0.99 -1.78 0.09 1.64 3.41 -1.26 -3.47 113.62 111.26 2oqj n SER 97 Ca 0.06 -2.15 -0.12 0.00 -0.26 0.00 0.00 58.87 56.40 2oqj n SER 97 Cb 0.58 2.94 -0.05 0.00 -0.26 0.00 0.00 64.21 67.42 2oqj n SER 97 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2oqj h ASP 98 N 1.66 -0.72 -3.54 4.04 3.32 -2.01 -3.31 116.42 115.87 2oqj h ASP 98 Ca -0.26 0.09 -0.73 0.00 0.02 0.00 0.00 57.03 56.15 2oqj h ASP 98 Cb 1.03 0.28 -0.30 0.00 0.22 0.00 0.00 39.33 40.55 2oqj h ASP 98 CO 0.34 -0.33 -0.33 -0.60 -1.72 0.00 0.00 179.24 176.60 2oqj s ARG 99 N -6.07 2.63 0.45 3.56 3.52 -1.26 -5.08 118.95 116.70 2oqj s ARG 99 Ca -0.15 -2.01 -0.23 0.00 -0.13 0.00 0.00 55.73 53.21 2oqj s ARG 99 Cb 0.08 -3.94 -0.10 0.00 -1.56 0.00 0.00 34.95 29.43 2oqj s ARG 99 CO 0.65 -1.20 0.90 1.28 -0.81 0.00 0.00 175.30 176.12 2oqj n LEU 100 N 4.49 2.20 0.00 -0.88 4.77 -1.25 -5.01 117.00 121.32 2oqj n LEU 100 Ca -0.02 0.97 -0.02 0.00 -0.03 0.00 0.00 56.01 56.91 2oqj n LEU 100 Cb 0.41 -1.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.19 2oqj n LEU 100 CO 0.40 -1.86 0.01 -1.54 -1.33 0.00 0.00 177.39 173.07 2oqj n SER 100 N 0.48 -0.17 -0.11 -1.43 3.41 -1.26 -5.04 113.62 109.49 2oqj n SER 100 Ca 0.10 -1.29 -0.11 0.00 -0.26 0.00 0.00 58.87 57.32 2oqj n SER 100 Cb 0.41 0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.66 2oqj n SER 100 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2oqj h ASP 100 N 0.29 0.56 -3.50 4.04 3.32 -2.05 -3.41 116.42 115.67 2oqj h ASP 100 Ca -0.04 -0.30 -0.61 0.00 0.02 0.00 0.00 57.03 56.11 2oqj h ASP 100 Cb 0.18 -0.15 -0.38 0.00 0.22 0.00 0.00 39.33 39.20 2oqj h ASP 100 CO 0.05 0.72 -0.80 0.21 -1.72 0.00 0.00 179.24 177.70 2oqj s ASN 100 N -6.05 3.52 0.18 6.45 2.47 -1.26 -5.13 114.94 115.12 2oqj s ASN 100 Ca -0.13 -0.98 0.11 0.00 0.42 0.00 0.00 52.86 52.27 2oqj s ASN 100 Cb 0.09 -1.18 -0.04 0.00 -1.45 0.00 0.00 41.25 38.67 2oqj s ASN 100 CO 0.77 -0.19 -0.22 -1.81 -3.72 0.00 0.00 177.10 171.93 2oqj s ASP 100 N 1.42 3.57 0.81 -4.21 1.01 -1.26 -5.09 116.67 112.92 2oqj s ASP 100 Ca -0.03 -0.80 0.00 0.00 0.71 0.00 0.00 52.55 52.43 2oqj s ASP 100 Cb -0.17 -0.33 0.00 0.00 1.01 0.00 0.00 42.92 43.42 2oqj s ASP 100 CO -0.07 0.13 0.00 -0.81 0.21 0.00 0.00 175.17 174.62 2oqj n PRO 100 N 0.30 0.21 -3.29 8.23 -0.04 -1.25 -4.57 135.00 134.59 2oqj n PRO 100 Ca -0.13 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.87 2oqj n PRO 100 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.99 2oqj n PRO 100 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2oqj s PHE 100 N -0.72 3.66 -0.75 0.54 0.40 -1.26 -0.46 117.98 119.38 2oqj s PHE 100 Ca 0.00 -1.88 0.26 0.00 -0.60 0.00 0.00 56.93 54.71 2oqj s PHE 100 Cb 0.00 -3.87 0.82 0.00 0.51 0.00 0.00 43.02 40.48 2oqj s PHE 100 CO 0.00 -1.05 1.76 -0.40 0.70 0.00 0.00 175.22 176.24 2oqj n ASP 101 N 4.34 0.73 -3.72 1.36 5.75 -1.12 -4.79 116.55 119.10 2oqj n ASP 101 Ca 0.13 0.54 -0.13 0.00 -0.01 0.00 0.00 54.79 55.31 2oqj n ASP 101 Cb 0.47 -0.71 -0.14 0.00 -1.03 0.00 0.00 41.12 39.71 2oqj n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2oqj s ALA 102 N -3.09 -0.42 0.08 2.12 0.00 -1.26 -5.05 121.76 114.14 2oqj s ALA 102 Ca 0.11 0.84 0.08 0.00 0.00 0.00 0.00 51.96 52.98 2oqj s ALA 102 Cb 0.13 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 2oqj s ALA 102 CO 0.60 -0.28 -0.21 -1.58 0.00 0.00 0.00 175.76 174.29 2oqj s TRP 103 N 1.49 1.80 0.72 0.00 0.52 -1.26 -1.76 118.94 120.45 2oqj s TRP 103 Ca -0.07 -0.40 -0.11 0.00 0.02 0.00 0.00 56.10 55.54 2oqj s TRP 103 Cb -0.11 -1.02 0.02 0.00 -1.15 0.00 0.00 33.47 31.21 2oqj s TRP 103 CO -0.07 0.16 1.08 0.20 0.02 0.00 0.00 176.95 178.34 2oqj s GLY 104 N -1.61 1.64 0.55 0.98 0.00 -0.65 -4.49 107.32 103.73 2oqj s GLY 104 Ca 0.07 -0.19 0.32 0.00 0.00 0.00 0.00 44.72 44.92 2oqj s GLY 104 CO 0.03 0.17 2.06 -0.56 0.00 0.00 0.00 173.10 174.80 2oqj h PRO 105 N -0.75 0.00 0.00 2.90 0.13 -1.92 -3.44 132.00 128.92 2oqj h PRO 105 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2oqj h PRO 105 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2oqj h PRO 105 CO 0.61 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 2oqj n GLY 106 N -0.38 2.48 3.16 1.56 0.00 -1.26 -5.01 105.19 105.73 2oqj n GLY 106 Ca -0.01 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 2oqj n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2oqj s THR 107 N -1.74 1.62 -0.03 2.61 -1.32 0.05 -4.91 115.64 111.93 2oqj s THR 107 Ca 0.00 -0.80 -0.29 0.00 -1.21 0.00 0.00 61.69 59.39 2oqj s THR 107 Cb 0.00 -1.40 -0.03 0.00 -1.51 0.00 0.00 72.50 69.56 2oqj s THR 107 CO 0.00 0.46 0.96 -0.69 -2.21 0.00 0.00 174.62 173.14 2oqj s VAL 108 N 0.19 4.87 -0.14 5.08 1.01 -1.26 -0.85 120.40 129.29 2oqj s VAL 108 Ca -0.09 2.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.88 2oqj s VAL 108 Cb -0.14 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 31.98 2oqj s VAL 108 CO 0.04 0.13 -0.09 -0.69 0.00 0.00 0.00 175.10 174.49 2oqj s VAL 109 N 1.23 1.25 -0.10 2.92 1.01 -0.57 -1.32 120.40 124.82 2oqj s VAL 109 Ca 0.50 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2oqj s VAL 109 Cb -0.20 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2oqj s VAL 109 CO 0.25 0.32 -0.22 0.42 0.00 0.00 0.00 175.10 175.87 2oqj s THR 110 N 1.60 1.94 -0.31 3.92 -4.23 -0.73 -1.26 115.64 116.58 2oqj s THR 110 Ca 0.03 -0.94 -0.09 0.00 -1.18 0.00 0.00 61.69 59.52 2oqj s THR 110 Cb -0.14 -1.69 -0.00 0.00 1.34 0.00 0.00 72.50 72.01 2oqj s THR 110 CO -0.09 0.53 0.13 -0.69 -0.54 0.00 0.00 174.62 173.96 2oqj s VAL 111 N 0.49 4.42 0.27 2.29 1.01 -1.26 -1.21 120.40 126.41 2oqj s VAL 111 Ca -0.16 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 2oqj s VAL 111 Cb -0.17 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 2oqj s VAL 111 CO 0.06 0.07 1.27 -0.55 0.00 0.00 0.00 175.10 175.94 2oqj s SER 112 N 1.58 6.92 0.21 3.32 0.15 0.40 -4.69 113.70 121.60 2oqj s SER 112 Ca 0.04 2.49 -0.07 0.00 0.70 0.00 0.00 55.95 59.11 2oqj s SER 112 Cb -0.17 -2.63 0.16 0.00 -1.71 0.00 0.00 66.02 61.67 2oqj s SER 112 CO 0.05 -0.45 1.77 -0.65 1.20 0.00 0.00 173.24 175.16 2oqj h PRO 113 N 4.26 1.18 -5.88 5.44 0.11 -1.97 -2.68 132.00 132.45 2oqj h PRO 113 Ca -0.47 -0.23 -0.47 0.00 0.11 0.00 0.00 66.00 64.94 2oqj h PRO 113 Cb 1.22 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2oqj h PRO 113 CO 0.70 0.97 1.35 0.00 -0.21 0.00 0.00 178.00 180.81 2oqj s ALA 114 N -5.49 2.01 -0.65 -0.75 0.00 -1.26 -4.67 121.76 110.95 2oqj s ALA 114 Ca -0.12 -0.58 0.26 0.00 0.00 0.00 0.00 51.96 51.51 2oqj s ALA 114 Cb 0.16 -4.33 0.83 0.00 0.00 0.00 0.00 23.12 19.77 2oqj s ALA 114 CO 0.84 -4.10 1.76 0.66 0.00 0.00 0.00 175.76 174.92 2oqj h SER 115 N 15.59 0.00 -4.34 0.00 4.64 -1.80 -3.38 113.55 124.26 2oqj h SER 115 Ca -0.23 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.96 2oqj h SER 115 Cb 1.17 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.03 2oqj h SER 115 CO 1.20 0.00 -0.28 0.28 -0.87 0.00 0.00 176.83 177.16 2oqj s THR 116 N -3.16 0.02 -0.04 2.95 -1.32 -1.26 -4.63 115.64 108.21 2oqj s THR 116 Ca 0.09 -0.19 -0.00 0.00 -1.21 0.00 0.00 61.69 60.37 2oqj s THR 116 Cb 0.11 -0.55 0.03 0.00 -1.51 0.00 0.00 72.50 70.58 2oqj s THR 116 CO 0.56 -0.11 0.01 -0.75 -2.21 0.00 0.00 174.62 172.12 2oqj s LYS 117 N -0.45 0.28 0.58 7.08 2.20 0.44 -4.97 119.74 124.90 2oqj s LYS 117 Ca -0.06 0.14 -0.17 0.00 -0.36 0.00 0.00 55.97 55.52 2oqj s LYS 117 Cb -0.04 -0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 35.68 2oqj s LYS 117 CO 0.02 -0.20 1.06 0.20 -0.36 0.00 0.00 175.35 176.08 2oqj s GLY 118 N 1.38 2.21 0.44 5.54 0.00 -1.26 -1.34 107.32 114.29 2oqj s GLY 118 Ca -0.05 0.46 -0.06 0.00 0.00 0.00 0.00 44.72 45.07 2oqj s GLY 118 CO -0.03 0.79 0.75 2.56 0.00 0.00 0.00 173.10 177.17 2oqj s PRO 119 N -3.91 3.60 -0.16 2.90 0.04 -1.26 -4.57 135.00 131.64 2oqj s PRO 119 Ca 0.65 0.21 -0.07 0.00 0.04 0.00 0.00 61.00 61.84 2oqj s PRO 119 Cb -0.17 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 2oqj s PRO 119 CO 0.34 -0.12 0.07 -1.12 0.04 0.00 0.00 177.00 176.22 2oqj s SER 120 N -3.83 5.76 -0.35 6.66 0.01 -0.36 -4.95 113.70 116.65 2oqj s SER 120 Ca 0.48 0.18 -0.05 0.00 1.31 0.00 0.00 55.95 57.87 2oqj s SER 120 Cb -0.10 -1.91 0.06 0.00 0.21 0.00 0.00 66.02 64.27 2oqj s SER 120 CO 0.40 0.25 0.11 -0.69 0.41 0.00 0.00 173.24 173.72 2oqj s VAL 121 N -0.10 3.50 -0.13 3.43 1.01 -1.26 -0.92 120.40 125.92 2oqj s VAL 121 Ca 0.07 -1.40 -0.05 0.00 0.00 0.00 0.00 61.98 60.61 2oqj s VAL 121 Cb -0.12 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2oqj s VAL 121 CO 0.01 -0.28 0.04 -0.36 0.00 0.00 0.00 175.10 174.51 2oqj s PHE 122 N 1.31 3.25 0.36 5.22 0.08 -0.11 -4.95 117.98 123.15 2oqj s PHE 122 Ca -0.01 0.16 -0.26 0.00 0.12 0.00 0.00 56.93 56.95 2oqj s PHE 122 Cb -0.21 -1.93 -0.09 0.00 -0.57 0.00 0.00 43.02 40.22 2oqj s PHE 122 CO 0.00 0.35 1.09 -1.25 -0.10 0.00 0.00 175.22 175.31 2oqj s PRO 123 N -0.34 4.29 -0.80 0.24 0.04 -1.26 -0.13 135.00 137.04 2oqj s PRO 123 Ca 0.08 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.65 2oqj s PRO 123 Cb -0.12 -2.77 0.21 0.00 0.04 0.00 0.00 34.50 31.87 2oqj s PRO 123 CO 0.02 -0.06 0.73 -0.51 0.04 0.00 0.00 177.00 177.22 2oqj s LEU 124 N -2.25 6.63 0.22 -3.56 1.43 0.87 -4.80 118.68 117.22 2oqj s LEU 124 Ca 0.54 -2.67 -0.30 0.00 -1.03 0.00 0.00 54.13 50.66 2oqj s LEU 124 Cb -0.27 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 2oqj s LEU 124 CO 0.34 -0.57 1.39 0.00 0.23 0.00 0.00 176.35 177.73 2oqj s ALA 125 N 0.20 3.59 0.55 4.21 0.00 -1.26 -2.17 121.76 126.88 2oqj s ALA 125 Ca 0.17 1.23 -0.17 0.00 0.00 0.00 0.00 51.96 53.19 2oqj s ALA 125 Cb -0.12 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 2oqj s ALA 125 CO -0.08 -0.65 1.04 -1.25 0.00 0.00 0.00 175.76 174.82 2oqj s PRO 126 N -0.17 3.54 -0.17 0.00 0.04 -1.26 -4.95 135.00 132.03 2oqj s PRO 126 Ca 0.59 1.20 -0.25 0.00 0.04 0.00 0.00 61.00 62.58 2oqj s PRO 126 Cb -0.39 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 2oqj s PRO 126 CO 0.40 -0.63 0.82 -1.12 0.04 0.00 0.00 177.00 176.51 2oqj s SER 127 N -2.63 6.95 0.26 6.66 0.01 -1.26 -4.29 113.70 119.39 2oqj s SER 127 Ca 0.64 1.16 0.24 0.00 1.31 0.00 0.00 55.95 59.30 2oqj s SER 127 Cb -0.15 -2.45 0.97 0.00 0.21 0.00 0.00 66.02 64.60 2oqj s SER 127 CO 0.32 -0.39 1.72 -1.54 0.41 0.00 0.00 173.24 173.76 2oqj n SER 128 N 5.22 0.70 -3.68 2.44 3.41 -1.26 -4.35 113.62 116.10 2oqj n SER 128 Ca 0.04 0.66 -0.27 0.00 -0.26 0.00 0.00 58.87 59.04 2oqj n SER 128 Cb 0.49 -0.81 -0.17 0.00 -0.26 0.00 0.00 64.21 63.46 2oqj n SER 128 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2oqj s LYS 129 N -3.30 0.38 0.00 4.33 2.20 -1.26 -5.05 119.74 117.04 2oqj s LYS 129 Ca 0.05 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 2oqj s LYS 129 Cb 0.10 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.46 2oqj s LYS 129 CO 0.42 -0.65 0.00 -1.13 -0.36 0.00 0.00 175.35 173.63 2oqj n SER 130 N 5.16 0.00 -3.22 1.43 3.41 -1.26 -5.04 113.62 114.10 2oqj n SER 130 Ca -0.08 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.17 2oqj n SER 130 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2oqj n SER 130 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2oqj n THR 133 N -0.04 4.53 -4.36 6.66 5.66 -1.26 -5.06 114.28 120.40 2oqj n THR 133 Ca 0.00 -5.52 0.00 0.00 -3.05 0.00 0.00 64.05 55.48 2oqj n THR 133 Cb 0.00 -1.43 0.00 0.00 -1.55 0.00 0.00 70.33 67.35 2oqj n THR 133 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2oqj n SER 134 N -0.23 -4.72 -3.44 1.09 2.88 -1.26 -3.79 113.62 104.15 2oqj n SER 134 Ca 0.43 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.59 2oqj n SER 134 Cb 0.33 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 2oqj n SER 134 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2oqj n GLY 135 N 0.00 3.95 0.00 0.46 0.00 -1.26 -4.66 105.19 103.68 2oqj n GLY 135 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2oqj n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqj n GLY 136 N 3.85 1.72 3.40 -0.02 0.00 -1.25 -4.80 105.19 108.09 2oqj n GLY 136 Ca 0.63 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 46.26 2oqj n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oqj s THR 137 N 2.25 3.41 0.12 2.61 2.01 -1.26 -1.13 115.64 123.66 2oqj s THR 137 Ca 0.00 -0.52 0.09 0.00 0.31 0.00 0.00 61.69 61.57 2oqj s THR 137 Cb 0.00 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 2oqj s THR 137 CO 0.00 0.49 -0.16 0.00 -0.69 0.00 0.00 174.62 174.26 2oqj s ALA 138 N 0.61 2.76 -0.05 7.40 0.00 0.09 -4.85 121.76 127.71 2oqj s ALA 138 Ca -0.05 -1.35 0.06 0.00 0.00 0.00 0.00 51.96 50.62 2oqj s ALA 138 Cb -0.15 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2oqj s ALA 138 CO 0.03 0.58 -0.24 0.00 0.00 0.00 0.00 175.76 176.13 2oqj s ALA 139 N -1.23 2.20 0.14 0.00 0.00 -1.26 -0.75 121.76 120.86 2oqj s ALA 139 Ca 0.19 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 2oqj s ALA 139 Cb -0.10 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2oqj s ALA 139 CO 0.11 0.45 0.16 -0.48 0.00 0.00 0.00 175.76 176.00 2oqj s LEU 140 N -0.28 1.41 0.00 0.00 0.05 -0.64 -4.26 118.68 114.95 2oqj s LEU 140 Ca 0.00 -1.04 0.00 0.00 0.05 0.00 0.00 54.13 53.14 2oqj s LEU 140 Cb -0.13 0.71 0.00 0.00 -2.05 0.00 0.00 46.19 44.72 2oqj s LEU 140 CO 0.02 -0.80 0.00 0.61 -0.55 0.00 0.00 176.35 175.63 2oqj n GLY 141 N -0.15 1.02 3.07 -3.48 0.00 -0.92 -0.72 105.19 104.01 2oqj n GLY 141 Ca -0.07 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 2oqj n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqj s LEU 143 N 0.49 4.04 -0.34 0.00 2.96 0.82 -1.04 118.68 125.61 2oqj s LEU 143 Ca -0.13 0.16 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 2oqj s LEU 143 Cb -0.15 -2.28 0.02 0.00 0.50 0.00 0.00 46.19 44.28 2oqj s LEU 143 CO 0.04 -0.11 0.16 -0.69 -1.32 0.00 0.00 176.35 174.43 2oqj s VAL 144 N 1.84 4.36 0.01 1.68 1.01 0.15 -0.93 120.40 128.52 2oqj s VAL 144 Ca 0.11 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.42 2oqj s VAL 144 Cb -0.16 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 2oqj s VAL 144 CO 0.10 -0.09 -0.23 -0.54 0.00 0.00 0.00 175.10 174.34 2oqj s LYS 145 N 1.54 2.04 -0.74 2.72 1.02 -0.10 -1.49 119.74 124.73 2oqj s LYS 145 Ca 0.02 -0.98 -0.03 0.00 0.02 0.00 0.00 55.97 55.00 2oqj s LYS 145 Cb -0.18 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 2oqj s LYS 145 CO 0.05 0.55 0.66 -0.25 -0.92 0.00 0.00 175.35 175.44 2oqj n ASP 146 N 1.96 -5.79 -4.29 2.83 8.00 -0.37 -1.22 116.55 117.68 2oqj n ASP 146 Ca -0.16 -0.41 -0.22 0.00 0.71 0.00 0.00 54.79 54.70 2oqj n ASP 146 Cb 0.52 -4.16 -0.12 0.00 -0.02 0.00 0.00 41.12 37.34 2oqj n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2oqj s TYR 147 N -3.22 1.70 -0.16 1.24 1.13 -0.96 -4.27 117.35 112.79 2oqj s TYR 147 Ca 0.26 -0.46 -0.12 0.00 -1.41 0.00 0.00 57.07 55.34 2oqj s TYR 147 Cb -0.03 -0.89 0.05 0.00 -1.10 0.00 0.00 41.96 39.98 2oqj s TYR 147 CO 0.57 0.23 0.41 0.12 -2.51 0.00 0.00 175.55 174.37 2oqj s PHE 148 N -1.63 -0.53 0.00 -3.49 2.19 -0.45 -1.20 117.98 112.86 2oqj s PHE 148 Ca 0.09 1.20 0.00 0.00 0.33 0.00 0.00 56.93 58.56 2oqj s PHE 148 Cb -0.08 0.21 0.00 0.00 -1.31 0.00 0.00 43.02 41.85 2oqj s PHE 148 CO 0.05 -0.28 0.00 -0.35 1.83 0.00 0.00 175.22 176.46 2oqj n PRO 149 N 3.57 2.45 -1.40 10.12 -0.04 -1.26 -0.42 135.00 148.01 2oqj n PRO 149 Ca -0.18 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.97 2oqj n PRO 149 Cb 0.56 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.10 2oqj n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2oqj s GLU 150 N 2.08 2.53 0.43 0.54 0.41 -1.26 -4.83 118.70 118.60 2oqj s GLU 150 Ca 0.00 1.05 0.05 0.00 -0.41 0.00 0.00 54.97 55.66 2oqj s GLU 150 Cb 0.00 -1.94 0.05 0.00 -1.78 0.00 0.00 34.13 30.47 2oqj s GLU 150 CO 0.00 -1.42 0.43 -0.35 -0.49 0.00 0.00 175.26 173.44 2oqj n PRO 151 N -3.36 0.80 -4.78 0.39 -0.04 -1.26 -4.91 135.00 121.85 2oqj n PRO 151 Ca 0.08 -2.57 -0.25 0.00 -0.04 0.00 0.00 63.50 60.73 2oqj n PRO 151 Cb 0.53 0.11 -0.16 0.00 -0.04 0.00 0.00 33.50 33.94 2oqj n PRO 151 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2oqj s VAL 152 N -1.99 1.31 -0.22 0.52 1.01 -1.26 -4.53 120.40 115.24 2oqj s VAL 152 Ca 0.33 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 2oqj s VAL 152 Cb -0.03 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2oqj s VAL 152 CO 0.21 0.38 0.14 -0.89 0.00 0.00 0.00 175.10 174.94 2oqj s THR 153 N -0.18 5.30 -0.15 3.92 2.01 -0.53 -4.98 115.64 121.02 2oqj s THR 153 Ca 0.02 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.19 2oqj s THR 153 Cb -0.08 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.99 2oqj s THR 153 CO 0.00 0.38 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.44 2oqj s VAL 154 N 0.82 1.86 0.28 3.82 1.01 -1.26 -1.11 120.40 125.82 2oqj s VAL 154 Ca 0.07 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.28 2oqj s VAL 154 Cb -0.13 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 2oqj s VAL 154 CO 0.02 0.51 -0.07 -0.94 0.00 0.00 0.00 175.10 174.63 2oqj s SER 156 N 1.14 2.82 0.01 3.32 1.04 -0.47 -4.97 113.70 116.58 2oqj s SER 156 Ca -0.01 -1.18 0.08 0.00 0.48 0.00 0.00 55.95 55.32 2oqj s SER 156 Cb -0.14 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.78 2oqj s SER 156 CO -0.07 -0.32 -0.23 0.26 0.98 0.00 0.00 173.24 173.86 2oqj s TRP 157 N -2.98 2.43 -1.28 5.02 0.52 -1.26 0.63 118.94 122.02 2oqj s TRP 157 Ca 0.29 -0.35 -0.23 0.00 0.02 0.00 0.00 56.10 55.83 2oqj s TRP 157 Cb 0.03 -1.48 0.02 0.00 -1.15 0.00 0.00 33.47 30.89 2oqj s TRP 157 CO 0.12 0.10 0.55 0.09 0.02 0.00 0.00 176.95 177.83 2oqj n ASN 162 N 2.06 -3.05 -1.78 2.95 4.13 0.16 -0.72 115.26 119.01 2oqj n ASN 162 Ca -0.16 -1.22 -0.18 0.00 1.68 0.00 0.00 54.58 54.69 2oqj n ASN 162 Cb 0.52 -2.09 -0.06 0.00 -1.54 0.00 0.00 39.78 36.60 2oqj n ASN 162 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2oqj n SER 163 N -2.46 -5.00 0.00 6.41 2.88 -1.26 -1.52 113.62 112.67 2oqj n SER 163 Ca -0.17 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2oqj n SER 163 Cb 0.60 -4.39 0.00 0.00 -0.75 0.00 0.00 64.21 59.68 2oqj n SER 163 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2oqj n GLY 164 N -0.51 0.70 0.13 0.46 0.00 0.10 -4.96 105.19 101.10 2oqj n GLY 164 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 2oqj n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqj h ALA 165 N 0.00 0.68 -2.83 4.61 0.00 -1.01 -3.43 119.26 117.27 2oqj h ALA 165 Ca 0.00 -0.58 -0.68 0.00 0.00 0.00 0.00 54.91 53.65 2oqj h ALA 165 Cb 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 17.47 2oqj h ALA 165 CO 0.00 0.80 -0.54 -1.17 0.00 0.00 0.00 179.25 178.34 2oqj s LEU 166 N -6.79 4.24 -0.00 0.00 2.96 -1.15 -4.90 118.68 113.05 2oqj s LEU 166 Ca 0.02 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2oqj s LEU 166 Cb 0.10 -2.03 -0.00 0.00 0.50 0.00 0.00 46.19 44.75 2oqj s LEU 166 CO 0.76 -0.21 -0.00 0.35 -1.32 0.00 0.00 176.35 175.92 2oqj n THR 167 N 5.01 0.01 -1.85 3.68 -2.24 -1.26 -4.28 114.28 113.36 2oqj n THR 167 Ca -0.13 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 2oqj n THR 167 Cb 0.49 -0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 2oqj n THR 167 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2oqj s SER 168 N -3.48 6.53 -0.68 3.42 0.15 -1.26 -3.11 113.70 115.27 2oqj s SER 168 Ca -0.00 2.62 0.00 0.00 0.70 0.00 0.00 55.95 59.27 2oqj s SER 168 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2oqj s SER 168 CO 0.01 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.14 2oqj n GLY 169 N 4.04 0.87 3.77 9.45 0.00 -1.26 -4.79 105.19 117.27 2oqj n GLY 169 Ca 0.16 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 2oqj n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oqj s VAL 171 N -2.21 5.26 -0.18 1.61 1.01 -1.18 -2.54 120.40 122.17 2oqj s VAL 171 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2oqj s VAL 171 Cb 0.00 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.78 2oqj s VAL 171 CO 0.00 0.45 -0.10 -1.00 0.00 0.00 0.00 175.10 174.45 2oqj s HIS 172 N 0.00 2.16 -0.28 5.22 3.76 0.09 -5.00 115.29 121.24 2oqj s HIS 172 Ca 0.19 -1.37 -0.11 0.00 -0.15 0.00 0.00 55.06 53.62 2oqj s HIS 172 Cb -0.14 -1.54 -0.05 0.00 1.11 0.00 0.00 32.58 31.97 2oqj s HIS 172 CO 0.06 -0.69 0.18 0.99 -0.85 0.00 0.00 174.74 174.43 2oqj s THR 173 N 1.48 5.19 0.26 1.30 2.01 -1.26 -1.12 115.64 123.51 2oqj s THR 173 Ca 0.01 0.11 -0.16 0.00 0.31 0.00 0.00 61.69 61.96 2oqj s THR 173 Cb -0.15 -3.48 -0.08 0.00 0.01 0.00 0.00 72.50 68.80 2oqj s THR 173 CO -0.09 0.25 0.70 -0.36 -0.69 0.00 0.00 174.62 174.43 2oqj s PHE 174 N 1.74 3.49 0.45 4.92 0.40 -0.77 -5.03 117.98 123.18 2oqj s PHE 174 Ca 0.07 1.23 -0.24 0.00 -0.60 0.00 0.00 56.93 57.39 2oqj s PHE 174 Cb -0.16 -2.52 -0.09 0.00 0.51 0.00 0.00 43.02 40.76 2oqj s PHE 174 CO 0.10 0.22 1.17 -2.30 0.70 0.00 0.00 175.22 175.11 2oqj n PRO 175 N 0.13 1.62 -1.32 0.24 -0.02 -1.26 -4.54 135.00 129.85 2oqj n PRO 175 Ca 0.00 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 2oqj n PRO 175 Cb 0.52 -2.27 0.10 0.00 -0.02 0.00 0.00 33.50 31.83 2oqj n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oqj s ALA 176 N -1.26 2.06 -0.07 3.55 0.00 -1.26 -4.79 121.76 119.99 2oqj s ALA 176 Ca 0.64 0.72 0.02 0.00 0.00 0.00 0.00 51.96 53.35 2oqj s ALA 176 Cb -0.50 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.20 2oqj s ALA 176 CO 0.56 -1.95 -0.13 0.08 0.00 0.00 0.00 175.76 174.31 2oqj s VAL 177 N -2.24 1.21 -0.31 0.00 1.01 -0.52 -4.95 120.40 114.61 2oqj s VAL 177 Ca 0.71 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 2oqj s VAL 177 Cb -0.26 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 2oqj s VAL 177 CO 0.48 0.37 0.75 -0.22 0.00 0.00 0.00 175.10 176.48 2oqj s LEU 178 N 0.65 4.10 0.50 3.92 2.96 -1.26 -1.83 118.68 127.71 2oqj s LEU 178 Ca -0.15 0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 54.28 2oqj s LEU 178 Cb -0.16 -3.01 -0.05 0.00 0.50 0.00 0.00 46.19 43.47 2oqj s LEU 178 CO 0.04 -0.58 0.85 -1.10 -1.32 0.00 0.00 176.35 174.24 2oqj s GLN 179 N 2.87 3.64 0.58 1.98 -0.21 -0.27 -4.96 119.66 123.29 2oqj s GLN 179 Ca 0.31 0.45 0.39 0.00 0.02 0.00 0.00 55.36 56.52 2oqj s GLN 179 Cb -0.14 -2.29 2.06 0.00 1.00 0.00 0.00 33.01 33.64 2oqj s GLN 179 CO 0.12 -0.26 2.19 0.66 -2.12 0.00 0.00 175.29 175.88 2oqj h SER 180 N 0.38 0.00 1.02 5.90 4.64 -1.97 0.12 113.55 123.63 2oqj h SER 180 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2oqj h SER 180 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2oqj h SER 180 CO 0.62 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.35 2oqj h SER 182 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.46 113.55 117.67 2oqj h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oqj h SER 182 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2oqj h SER 182 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2oqj n GLY 183 N 0.28 0.88 3.43 -0.77 0.00 0.41 -5.08 105.19 104.35 2oqj n GLY 183 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2oqj n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oqj s LEU 184 N 0.00 2.47 0.38 0.99 1.02 -1.25 -4.89 118.68 117.41 2oqj s LEU 184 Ca 0.00 -0.91 -0.00 0.00 0.02 0.00 0.00 54.13 53.24 2oqj s LEU 184 Cb 0.00 -1.14 -0.03 0.00 0.02 0.00 0.00 46.19 45.05 2oqj s LEU 184 CO 0.00 0.09 0.60 -0.31 0.02 0.00 0.00 176.35 176.75 2oqj s TYR 185 N -1.90 3.45 -0.29 0.29 2.02 -0.34 -1.11 117.35 119.47 2oqj s TYR 185 Ca 0.23 0.38 -0.11 0.00 -0.37 0.00 0.00 57.07 57.20 2oqj s TYR 185 Cb -0.07 -2.02 0.12 0.00 -0.40 0.00 0.00 41.96 39.59 2oqj s TYR 185 CO 0.11 -0.02 0.63 0.45 -1.57 0.00 0.00 175.55 175.16 2oqj s SER 186 N -4.08 -1.03 0.30 2.29 0.15 -0.76 -1.23 113.70 109.33 2oqj s SER 186 Ca 0.42 1.51 0.06 0.00 0.70 0.00 0.00 55.95 58.64 2oqj s SER 186 Cb -0.10 2.05 -0.06 0.00 -1.71 0.00 0.00 66.02 66.20 2oqj s SER 186 CO 0.37 -0.22 -0.02 -1.48 1.20 0.00 0.00 173.24 173.09 2oqj s LEU 187 N 2.64 2.43 0.02 3.45 0.05 -0.56 -1.43 118.68 125.27 2oqj s LEU 187 Ca -0.06 -1.25 0.06 0.00 0.05 0.00 0.00 54.13 52.93 2oqj s LEU 187 Cb -0.11 -0.58 -0.02 0.00 -2.05 0.00 0.00 46.19 43.43 2oqj s LEU 187 CO -0.19 -0.42 -0.18 -0.94 -0.55 0.00 0.00 176.35 174.07 2oqj s SER 188 N -3.47 2.16 -0.11 1.48 1.04 -1.26 -0.67 113.70 112.87 2oqj s SER 188 Ca 0.32 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.34 2oqj s SER 188 Cb 0.06 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.99 2oqj s SER 188 CO 0.13 0.15 -0.21 -0.55 0.98 0.00 0.00 173.24 173.74 2oqj s SER 189 N -0.91 2.86 0.24 7.02 0.15 -0.20 -1.85 113.70 121.02 2oqj s SER 189 Ca 0.06 -0.53 0.09 0.00 0.70 0.00 0.00 55.95 56.27 2oqj s SER 189 Cb -0.08 -1.31 -0.05 0.00 -1.71 0.00 0.00 66.02 62.87 2oqj s SER 189 CO 0.01 0.10 -0.14 0.68 1.20 0.00 0.00 173.24 175.09 2oqj s VAL 190 N 0.62 1.92 -0.09 4.45 -7.23 -0.27 -0.51 120.40 119.28 2oqj s VAL 190 Ca -0.13 -2.24 -0.09 0.00 -1.81 0.00 0.00 61.98 57.71 2oqj s VAL 190 Cb -0.17 -2.21 0.02 0.00 0.56 0.00 0.00 36.38 34.59 2oqj s VAL 190 CO 0.03 -0.48 0.25 0.54 -0.31 0.00 0.00 175.10 175.14 2oqj s VAL 191 N -2.86 0.01 -0.17 1.32 0.11 0.10 -0.73 120.40 118.18 2oqj s VAL 191 Ca 0.26 -0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 59.19 2oqj s VAL 191 Cb -0.01 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 2oqj s VAL 191 CO 0.10 -0.02 0.09 0.42 -3.33 0.00 0.00 175.10 172.36 2oqj s THR 192 N 0.02 5.09 0.09 5.04 -4.23 -1.05 -1.62 115.64 118.98 2oqj s THR 192 Ca -0.01 0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 2oqj s THR 192 Cb -0.02 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 2oqj s THR 192 CO 0.01 0.50 -0.07 0.68 -0.54 0.00 0.00 174.62 175.19 2oqj s VAL 193 N 0.00 0.68 0.43 2.29 -7.23 0.08 -4.81 120.40 111.85 2oqj s VAL 193 Ca 0.08 -1.74 -0.25 0.00 -1.81 0.00 0.00 61.98 58.26 2oqj s VAL 193 Cb -0.12 -1.44 -0.09 0.00 0.56 0.00 0.00 36.38 35.29 2oqj s VAL 193 CO 0.00 -0.75 1.34 -0.81 -0.31 0.00 0.00 175.10 174.57 2oqj n PRO 194 N 0.31 2.05 -0.02 4.82 -0.04 -1.26 -0.73 135.00 140.13 2oqj n PRO 194 Ca -0.15 0.73 0.02 0.00 -0.04 0.00 0.00 63.50 64.07 2oqj n PRO 194 Cb 0.59 -2.48 0.36 0.00 -0.04 0.00 0.00 33.50 31.93 2oqj n PRO 194 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2oqj h SER 195 N 2.16 0.52 -0.04 3.54 0.02 -1.44 -2.74 113.55 115.58 2oqj h SER 195 Ca -0.49 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.38 2oqj h SER 195 Cb 1.28 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2oqj h SER 195 CO 0.60 0.45 -0.05 0.77 -1.14 0.00 0.00 176.83 177.46 2oqj h SER 196 N 0.59 0.22 0.39 3.07 4.64 -1.89 -2.76 113.55 117.81 2oqj h SER 196 Ca 0.15 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2oqj h SER 196 Cb 0.07 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2oqj h SER 196 CO -0.02 0.31 0.00 -1.54 -0.87 0.00 0.00 176.83 174.71 2oqj n SER 197 N -4.34 0.00 -0.13 4.97 3.41 -1.03 -3.70 113.62 112.80 2oqj n SER 197 Ca -0.01 -0.30 -0.11 0.00 -0.26 0.00 0.00 58.87 58.19 2oqj n SER 197 Cb 0.21 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 2oqj n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2oqj h LEU 198 N 0.00 0.72 -0.58 1.04 3.38 -1.61 -1.13 115.31 117.13 2oqj h LEU 198 Ca 0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2oqj h LEU 198 Cb 0.19 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2oqj h LEU 198 CO 0.00 0.91 0.00 0.61 0.09 0.00 0.00 178.44 180.05 2oqj n GLY 199 N -0.19 0.10 2.00 0.83 0.00 -1.24 -4.25 105.19 102.43 2oqj n GLY 199 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2oqj n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2oqj n THR 200 N -0.18 0.00 -2.68 2.61 -2.24 -1.21 -5.10 114.28 105.48 2oqj n THR 200 Ca 0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 2oqj n THR 200 Cb 0.15 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.86 2oqj n THR 200 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2oqj s GLN 203 N -2.00 4.47 0.21 -0.78 2.00 -0.43 -5.04 119.66 118.09 2oqj s GLN 203 Ca 0.00 1.43 -0.11 0.00 -2.00 0.00 0.00 55.36 54.68 2oqj s GLN 203 Cb 0.00 -3.51 -0.07 0.00 0.80 0.00 0.00 33.01 30.23 2oqj s GLN 203 CO 0.00 -0.23 0.56 0.95 -0.50 0.00 0.00 175.29 176.07 2oqj s THR 205 N 1.64 4.90 -0.14 -0.34 -4.23 -1.26 -4.65 115.64 111.57 2oqj s THR 205 Ca 0.50 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.61 2oqj s THR 205 Cb -0.20 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.02 2oqj s THR 205 CO 0.22 -0.00 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.86 2oqj s TYR 206 N -1.74 2.00 -0.15 3.99 2.02 -1.26 -5.02 117.35 117.19 2oqj s TYR 206 Ca 0.45 -1.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.09 2oqj s TYR 206 Cb -0.12 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 39.95 2oqj s TYR 206 CO 0.20 -0.62 -0.21 0.42 -1.57 0.00 0.00 175.55 173.78 2oqj s ILE 207 N 1.50 2.16 -0.10 2.71 1.01 -1.26 -1.03 121.20 126.19 2oqj s ILE 207 Ca 0.04 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.60 2oqj s ILE 207 Cb -0.13 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 2oqj s ILE 207 CO -0.09 0.54 0.36 0.00 0.00 0.00 0.00 174.94 175.75 2oqj s ASN 209 N -0.08 5.78 -0.21 0.00 -0.87 0.21 -2.29 114.94 117.47 2oqj s ASN 209 Ca 0.21 -0.91 -0.07 0.00 -1.57 0.00 0.00 52.86 50.52 2oqj s ASN 209 Cb -0.15 -2.05 -0.04 0.00 -0.02 0.00 0.00 41.25 39.00 2oqj s ASN 209 CO 0.08 -0.37 0.06 -0.69 -2.57 0.00 0.00 177.10 173.62 2oqj s VAL 210 N 1.59 4.60 -0.11 1.60 1.01 0.22 -1.37 120.40 127.94 2oqj s VAL 210 Ca 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2oqj s VAL 210 Cb -0.19 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.11 2oqj s VAL 210 CO 0.07 0.41 -0.12 0.21 0.00 0.00 0.00 175.10 175.68 2oqj s ASN 211 N 0.85 2.26 -0.58 3.32 2.47 -0.27 -0.37 114.94 122.61 2oqj s ASN 211 Ca 0.04 -0.37 0.04 0.00 0.42 0.00 0.00 52.86 52.99 2oqj s ASN 211 Cb -0.14 -0.96 0.15 0.00 -1.45 0.00 0.00 41.25 38.85 2oqj s ASN 211 CO 0.02 -0.05 0.35 -2.28 -3.72 0.00 0.00 177.10 171.43 2oqj s HIS 212 N 1.30 3.19 0.24 0.43 5.65 0.34 -1.46 115.29 124.97 2oqj s HIS 212 Ca -0.01 -3.17 -0.10 0.00 0.25 0.00 0.00 55.06 52.03 2oqj s HIS 212 Cb -0.14 -2.66 0.35 0.00 -1.18 0.00 0.00 32.58 28.95 2oqj s HIS 212 CO -0.05 -0.67 1.61 0.87 -0.65 0.00 0.00 174.74 175.85 2oqj h LYS 213 N 6.07 0.02 -0.59 2.88 1.79 -1.83 -1.90 116.57 123.02 2oqj h LYS 213 Ca 0.02 -0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.60 2oqj h LYS 213 Cb 0.84 -0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.37 2oqj h LYS 213 CO 0.68 0.01 -0.22 -1.35 -1.08 0.00 0.00 179.45 177.49 2oqj h PRO 214 N 0.02 -0.07 -0.05 3.15 0.11 -1.91 -1.76 132.00 131.49 2oqj h PRO 214 Ca 0.38 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2oqj h PRO 214 Cb 0.61 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2oqj h PRO 214 CO -0.75 -0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 175.86 2oqj n SER 215 N -5.43 1.47 -3.77 -2.05 3.41 -0.78 -4.94 113.62 101.53 2oqj n SER 215 Ca 0.06 -1.52 -0.24 0.00 -0.26 0.00 0.00 58.87 56.90 2oqj n SER 215 Cb 0.34 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.30 2oqj n SER 215 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2oqj n ASN 216 N 0.15 -2.59 -4.15 4.04 5.15 -0.66 -4.88 115.26 112.33 2oqj n ASN 216 Ca 0.19 -0.79 -0.33 0.00 -0.60 0.00 0.00 54.58 53.04 2oqj n ASN 216 Cb 0.34 -4.04 -0.15 0.00 -0.53 0.00 0.00 39.78 35.39 2oqj n ASN 216 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2oqj s THR 217 N -3.53 2.36 -0.15 -0.44 2.01 -1.08 -5.01 115.64 109.80 2oqj s THR 217 Ca 0.25 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.23 2oqj s THR 217 Cb -0.12 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.28 2oqj s THR 217 CO 0.81 0.37 -0.17 -0.54 -0.69 0.00 0.00 174.62 174.41 2oqj s LYS 218 N 1.28 3.17 -0.03 4.92 1.02 -1.26 -0.51 119.74 128.33 2oqj s LYS 218 Ca 0.02 -0.78 0.02 0.00 0.02 0.00 0.00 55.97 55.25 2oqj s LYS 218 Cb -0.15 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.60 2oqj s LYS 218 CO -0.09 0.02 -0.08 0.08 -0.92 0.00 0.00 175.35 174.36 2oqj s VAL 219 N 0.78 0.76 -0.11 3.17 1.01 0.50 -5.00 120.40 121.51 2oqj s VAL 219 Ca -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2oqj s VAL 219 Cb -0.15 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 2oqj s VAL 219 CO -0.00 0.25 -0.03 -1.81 0.00 0.00 0.00 175.10 173.50 2oqj s ASP 220 N 0.34 4.91 -0.18 3.32 1.01 -1.26 -0.61 116.67 124.20 2oqj s ASP 220 Ca -0.05 -0.01 -0.01 0.00 0.71 0.00 0.00 52.55 53.19 2oqj s ASP 220 Cb -0.10 -1.51 0.05 0.00 1.01 0.00 0.00 42.92 42.37 2oqj s ASP 220 CO 0.01 0.29 -0.02 -0.75 0.21 0.00 0.00 175.17 174.90 2oqj s LYS 221 N -0.37 1.20 0.03 8.23 2.47 -0.97 -4.98 119.74 125.35 2oqj s LYS 221 Ca 0.06 -0.56 -0.30 0.00 -1.56 0.00 0.00 55.97 53.61 2oqj s LYS 221 Cb -0.12 -2.11 -0.06 0.00 -1.46 0.00 0.00 37.83 34.08 2oqj s LYS 221 CO 0.02 -0.52 1.29 0.21 0.16 0.00 0.00 175.35 176.51 2oqj s LYS 222 N 1.67 4.35 -0.18 4.03 2.20 -1.26 -2.44 119.74 128.11 2oqj s LYS 222 Ca -0.01 1.86 -0.00 0.00 -0.36 0.00 0.00 55.97 57.46 2oqj s LYS 222 Cb -0.16 -3.44 0.01 0.00 -1.51 0.00 0.00 37.83 32.73 2oqj s LYS 222 CO -0.07 -0.42 -0.15 0.08 -0.36 0.00 0.00 175.35 174.43 2oqj s VAL 225 N 1.68 2.52 0.02 4.02 1.01 -0.20 -4.93 120.40 124.53 2oqj s VAL 225 Ca 0.61 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2oqj s VAL 225 Cb -0.30 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2oqj s VAL 225 CO 0.27 0.51 0.05 -1.61 0.00 0.00 0.00 175.10 174.32 2oqj s GLU 226 N 1.15 0.47 0.70 2.72 2.02 -1.26 -4.09 118.70 120.42 2oqj s GLU 226 Ca 0.01 -0.66 -0.16 0.00 0.02 0.00 0.00 54.97 54.18 2oqj s GLU 226 Cb -0.14 0.18 0.02 0.00 0.10 0.00 0.00 34.13 34.29 2oqj s GLU 226 CO -0.06 -0.10 1.25 -1.25 0.02 0.00 0.00 175.26 175.12 2oqj s PRO 227 N -2.05 2.26 0.00 0.39 0.04 -1.26 -4.66 135.00 129.71 2oqj s PRO 227 Ca -0.10 1.92 0.21 0.00 0.04 0.00 0.00 61.00 63.07 2oqj s PRO 227 Cb -0.05 -1.83 1.27 0.00 0.04 0.00 0.00 34.50 33.93 2oqj s PRO 227 CO -0.02 -1.78 1.65 1.63 0.04 0.00 0.00 177.00 178.51