#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqy h GLU 2 N 0.00 0.07 -0.25 3.49 3.07 -2.07 -3.29 114.58 115.59 2jqy h GLU 2 Ca 0.00 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2jqy h GLU 2 Cb 0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2jqy h GLU 2 CO 0.00 0.96 0.15 0.00 -1.40 0.00 0.00 179.01 178.72 2jqy h ARG 3 N 0.03 0.34 -5.42 2.33 3.08 -2.04 -3.47 114.38 109.23 2jqy h ARG 3 Ca -0.03 -0.03 -0.32 0.00 0.07 0.00 0.00 59.98 59.67 2jqy h ARG 3 Cb 1.63 -0.07 0.15 0.00 0.08 0.00 0.00 29.97 31.76 2jqy h ARG 3 CO 0.13 0.27 -0.69 -1.71 -1.07 0.00 0.00 179.97 176.89 2jqy n ASN 4 N -4.88 -3.09 0.11 7.04 2.85 -1.24 -4.73 115.26 111.32 2jqy n ASN 4 Ca -0.02 -0.56 -0.02 0.00 -0.11 0.00 0.00 54.58 53.87 2jqy n ASN 4 Cb 0.05 -4.78 0.06 0.00 1.24 0.00 0.00 39.78 36.35 2jqy n ASN 4 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 2jqy h ASP 5 N -1.96 0.00 -1.22 1.20 2.03 -1.92 -3.17 116.42 111.38 2jqy h ASP 5 Ca -0.54 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.67 2jqy h ASP 5 Cb 1.32 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.60 2jqy h ASP 5 CO 0.48 0.72 -0.46 0.86 -1.03 0.00 0.00 179.24 179.81 2jqy s TRP 6 N -3.18 -1.51 -0.28 4.15 -0.00 -0.54 -3.85 118.94 113.73 2jqy s TRP 6 Ca 0.00 0.45 0.01 0.00 -0.00 0.00 0.00 56.10 56.56 2jqy s TRP 6 Cb 0.11 0.16 0.05 0.00 -0.00 0.00 0.00 33.47 33.79 2jqy s TRP 6 CO 0.77 -1.09 -0.06 -1.58 -0.00 0.00 0.00 176.95 175.00 2jqy s HIS 7 N 2.28 3.27 -0.25 5.86 5.65 -1.09 -4.88 115.29 126.13 2jqy s HIS 7 Ca 0.13 -2.10 -0.22 0.00 0.25 0.00 0.00 55.06 53.12 2jqy s HIS 7 Cb -0.09 -2.02 -0.01 0.00 -1.18 0.00 0.00 32.58 29.28 2jqy s HIS 7 CO -0.17 -0.84 0.69 0.12 -0.65 0.00 0.00 174.74 173.88 2jqy s PHE 8 N 1.18 3.29 -0.07 3.88 2.19 -1.07 -2.25 117.98 125.13 2jqy s PHE 8 Ca -0.07 0.91 0.02 0.00 0.33 0.00 0.00 56.93 58.13 2jqy s PHE 8 Cb -0.20 -2.91 0.01 0.00 -1.31 0.00 0.00 43.02 38.62 2jqy s PHE 8 CO -0.03 -0.35 -0.13 1.21 1.83 0.00 0.00 175.22 177.75 2jqy s ASN 9 N 1.43 1.87 -0.06 6.13 2.47 -0.95 -0.76 114.94 125.08 2jqy s ASN 9 Ca 0.29 -0.32 0.04 0.00 0.42 0.00 0.00 52.86 53.29 2jqy s ASN 9 Cb -0.15 -0.86 -0.02 0.00 -1.45 0.00 0.00 41.25 38.77 2jqy s ASN 9 CO 0.08 0.05 -0.17 -0.63 -3.72 0.00 0.00 177.10 172.71 2jqy s ILE 10 N 0.62 2.80 -0.05 -5.21 1.01 -0.70 -0.22 121.20 119.45 2jqy s ILE 10 Ca -0.14 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.72 2jqy s ILE 10 Cb -0.16 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.24 2jqy s ILE 10 CO 0.04 0.58 -0.09 -0.83 0.00 0.00 0.00 174.94 174.63 2jqy s GLY 11 N -0.46 0.64 -0.06 6.18 0.00 0.22 -0.96 107.32 112.89 2jqy s GLY 11 Ca 0.05 -0.29 0.01 0.00 0.00 0.00 0.00 44.72 44.49 2jqy s GLY 11 CO 0.02 0.16 -0.06 0.00 0.00 0.00 0.00 173.10 173.22 2jqy s ALA 12 N 0.63 0.85 -0.11 3.20 0.00 -1.09 0.71 121.76 125.95 2jqy s ALA 12 Ca -0.11 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.70 2jqy s ALA 12 Cb -0.14 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 2jqy s ALA 12 CO 0.02 -0.04 -0.22 -1.64 0.00 0.00 0.00 175.76 173.88 2jqy s MET 13 N 0.98 3.11 0.14 0.00 -1.94 -0.74 -0.87 119.30 119.98 2jqy s MET 13 Ca -0.10 -0.84 -0.07 0.00 -1.71 0.00 0.00 55.69 52.97 2jqy s MET 13 Cb -0.14 -2.39 -0.01 0.00 2.01 0.00 0.00 34.83 34.29 2jqy s MET 13 CO 0.00 0.15 0.21 -0.47 -0.01 0.00 0.00 175.02 174.90 2jqy s TYR 14 N 0.44 0.42 -0.10 -0.03 6.14 -1.12 -2.92 117.35 120.18 2jqy s TYR 14 Ca -0.15 -0.81 0.00 0.00 0.64 0.00 0.00 57.07 56.75 2jqy s TYR 14 Cb -0.17 -0.14 -0.02 0.00 0.42 0.00 0.00 41.96 42.05 2jqy s TYR 14 CO 0.06 -0.64 -0.10 -1.83 0.64 0.00 0.00 175.55 173.69 2jqy s GLU 15 N -3.96 3.07 0.06 4.97 4.04 -1.26 -2.12 118.70 123.50 2jqy s GLU 15 Ca 0.15 -0.61 0.02 0.00 0.04 0.00 0.00 54.97 54.57 2jqy s GLU 15 Cb 0.04 -2.62 -0.04 0.00 0.02 0.00 0.00 34.13 31.53 2jqy s GLU 15 CO -0.03 0.44 0.06 -1.50 -1.84 0.00 0.00 175.26 172.39 2jqy s ILE 16 N -0.21 4.46 -0.09 1.83 1.10 -1.26 -5.01 121.20 122.02 2jqy s ILE 16 Ca 0.02 -0.72 -0.04 0.00 -0.51 0.00 0.00 60.65 59.40 2jqy s ILE 16 Cb -0.13 -3.11 0.04 0.00 0.15 0.00 0.00 42.46 39.41 2jqy s ILE 16 CO 0.03 0.19 0.20 -1.61 -2.11 0.00 0.00 174.94 171.64 2jqy s GLU 17 N -2.17 0.15 0.00 3.50 0.41 -1.26 -5.07 118.70 114.26 2jqy s GLU 17 Ca 0.27 0.45 0.00 0.00 -0.41 0.00 0.00 54.97 55.28 2jqy s GLU 17 Cb -0.12 -0.15 0.00 0.00 -1.78 0.00 0.00 34.13 32.08 2jqy s GLU 17 CO 0.19 -0.16 0.00 -1.71 -0.49 0.00 0.00 175.26 173.08 2jqy n ASN 18 N 4.21 -0.73 -2.01 -0.19 4.05 -1.26 -4.86 115.26 114.47 2jqy n ASN 18 Ca -0.26 -0.00 -0.20 0.00 0.45 0.00 0.00 54.58 54.56 2jqy n ASN 18 Cb 0.52 0.00 0.13 0.00 1.23 0.00 0.00 39.78 41.67 2jqy n ASN 18 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 2jqy n VAL 19 N -1.73 2.85 -2.28 3.44 0.24 -1.26 -4.10 118.33 115.49 2jqy n VAL 19 Ca 0.00 -1.67 0.04 0.00 -2.04 0.00 0.00 64.34 60.68 2jqy n VAL 19 Cb 0.00 -0.66 0.07 0.00 -1.47 0.00 0.00 33.84 31.78 2jqy n VAL 19 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2jqy n GLU 20 N -0.78 0.49 -0.99 7.34 2.13 -1.26 -4.80 120.64 122.78 2jqy n GLU 20 Ca 0.49 -2.40 0.04 0.00 0.66 0.00 0.00 57.16 55.95 2jqy n GLU 20 Cb 1.34 -0.48 0.08 0.00 0.27 0.00 0.00 31.44 32.64 2jqy n GLU 20 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jqy n GLY 21 N 0.04 2.35 2.48 8.31 0.00 -1.26 -4.92 105.19 112.20 2jqy n GLY 21 Ca 0.10 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 2jqy n GLY 21 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jqy n TYR 22 N -0.17 2.88 0.00 1.61 4.02 -1.26 -5.03 117.16 119.21 2jqy n TYR 22 Ca 0.09 -4.08 0.00 0.00 -0.01 0.00 0.00 57.90 53.91 2jqy n TYR 22 Cb 0.92 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 2jqy n TYR 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jqy n GLY 23 N 1.21 0.98 3.47 2.72 0.00 -1.26 -5.09 105.19 107.22 2jqy n GLY 23 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 2jqy n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jqy s GLU 24 N 3.87 -1.10 -0.22 1.61 2.12 -1.26 -5.01 118.70 118.70 2jqy s GLU 24 Ca 0.00 0.88 0.01 0.00 0.36 0.00 0.00 54.97 56.22 2jqy s GLU 24 Cb 0.00 -1.53 0.03 0.00 0.26 0.00 0.00 34.13 32.89 2jqy s GLU 24 CO 0.00 -3.86 -0.13 0.34 -0.54 0.00 0.00 175.26 171.07 2jqy s ASP 25 N -2.41 3.87 -0.06 -1.70 2.15 -1.26 -4.95 116.67 112.31 2jqy s ASP 25 Ca 0.69 -0.90 0.00 0.00 0.43 0.00 0.00 52.55 52.77 2jqy s ASP 25 Cb -0.26 -1.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.76 2jqy s ASP 25 CO 0.65 -0.09 -0.05 0.23 -0.17 0.00 0.00 175.17 175.74 2jqy n MET 26 N 4.59 0.15 -3.30 4.34 2.81 -1.26 -5.04 117.12 119.41 2jqy n MET 26 Ca -0.18 0.04 0.03 0.00 -1.81 0.00 0.00 57.70 55.78 2jqy n MET 26 Cb 0.47 -1.12 -0.02 0.00 -0.71 0.00 0.00 33.22 31.84 2jqy n MET 26 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2jqy s ASP 27 N -4.61 -0.94 -0.36 7.83 1.01 -1.26 -5.13 116.67 113.22 2jqy s ASP 27 Ca -0.08 0.85 -0.27 0.00 0.71 0.00 0.00 52.55 53.76 2jqy s ASP 27 Cb 0.02 1.89 0.02 0.00 1.01 0.00 0.00 42.92 45.86 2jqy s ASP 27 CO 0.14 -0.18 0.98 -0.83 0.21 0.00 0.00 175.17 175.50 2jqy s GLY 28 N 2.80 1.55 -0.20 0.21 0.00 -1.26 -5.00 107.32 105.42 2jqy s GLY 28 Ca 0.05 -0.31 -0.15 0.00 0.00 0.00 0.00 44.72 44.31 2jqy s GLY 28 CO -0.17 2.11 0.50 -2.27 0.00 0.00 0.00 173.10 173.27 2jqy s LEU 29 N 3.58 -0.12 0.00 0.66 2.96 -1.26 -2.94 118.68 121.55 2jqy s LEU 29 Ca 0.41 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.40 2jqy s LEU 29 Cb -0.12 1.71 0.03 0.00 0.50 0.00 0.00 46.19 48.32 2jqy s LEU 29 CO 0.18 -0.19 0.24 0.00 -1.32 0.00 0.00 176.35 175.26 2jqy n ALA 30 N 3.44 0.59 -2.60 5.97 0.00 -1.26 -5.05 120.51 121.61 2jqy n ALA 30 Ca -0.17 -1.79 -0.21 0.00 0.00 0.00 0.00 53.44 51.26 2jqy n ALA 30 Cb 0.56 0.81 0.00 0.00 0.00 0.00 0.00 19.45 20.83 2jqy n ALA 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jqy n GLU 31 N -1.40 2.64 -2.51 0.00 4.71 -1.26 -4.99 120.64 117.84 2jqy n GLU 31 Ca -0.06 -4.12 -0.43 0.00 -0.01 0.00 0.00 57.16 52.54 2jqy n GLU 31 Cb 0.51 -1.93 -0.02 0.00 -1.01 0.00 0.00 31.44 28.99 2jqy n GLU 31 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2jqy s PRO 32 N -3.37 3.96 -0.05 3.49 0.04 -1.26 -4.37 135.00 133.44 2jqy s PRO 32 Ca 0.42 1.15 -0.00 0.00 0.04 0.00 0.00 61.00 62.60 2jqy s PRO 32 Cb 0.41 -3.83 0.03 0.00 0.04 0.00 0.00 34.50 31.14 2jqy s PRO 32 CO -0.11 -1.06 -0.00 -1.12 0.04 0.00 0.00 177.00 174.74 2jqy s SER 33 N 2.38 0.98 0.28 6.66 0.01 -1.15 -4.63 113.70 118.24 2jqy s SER 33 Ca 0.52 -0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.79 2jqy s SER 33 Cb -0.15 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 2jqy s SER 33 CO 0.21 -0.14 0.36 -0.69 0.41 0.00 0.00 173.24 173.39 2jqy s VAL 34 N 1.44 4.53 -0.22 3.43 1.01 -1.16 -1.79 120.40 127.66 2jqy s VAL 34 Ca -0.04 -1.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.67 2jqy s VAL 34 Cb -0.13 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.75 2jqy s VAL 34 CO -0.03 -0.26 0.56 -0.47 0.00 0.00 0.00 175.10 174.90 2jqy s TYR 35 N -2.11 -0.72 0.09 5.22 5.04 0.22 -2.28 117.35 122.81 2jqy s TYR 35 Ca 0.38 1.60 0.03 0.00 -2.44 0.00 0.00 57.07 56.64 2jqy s TYR 35 Cb -0.09 0.32 -0.04 0.00 0.35 0.00 0.00 41.96 42.51 2jqy s TYR 35 CO 0.29 -0.36 -0.09 -0.06 -1.34 0.00 0.00 175.55 173.99 2jqy s PHE 36 N 0.86 0.93 0.05 4.97 0.40 -0.23 0.70 117.98 125.66 2jqy s PHE 36 Ca -0.05 -0.71 -0.14 0.00 -0.60 0.00 0.00 56.93 55.44 2jqy s PHE 36 Cb -0.05 -0.53 0.02 0.00 0.51 0.00 0.00 43.02 42.97 2jqy s PHE 36 CO -0.07 -0.06 0.31 -0.80 0.70 0.00 0.00 175.22 175.29 2jqy s ASN 37 N -2.47 -0.12 -0.26 1.36 0.02 0.69 -1.67 114.94 112.48 2jqy s ASN 37 Ca 0.05 -0.21 -0.04 0.00 -1.02 0.00 0.00 52.86 51.63 2jqy s ASN 37 Cb -0.02 0.37 0.14 0.00 0.02 0.00 0.00 41.25 41.76 2jqy s ASN 37 CO -0.01 -0.64 0.51 0.00 0.02 0.00 0.00 177.10 176.98 2jqy s ALA 38 N -2.68 -1.66 -0.30 0.60 0.00 0.29 -2.23 121.76 115.77 2jqy s ALA 38 Ca -0.04 1.60 -0.20 0.00 0.00 0.00 0.00 51.96 53.33 2jqy s ALA 38 Cb -0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 2jqy s ALA 38 CO -0.04 -1.12 0.60 0.00 0.00 0.00 0.00 175.76 175.20 2jqy s ALA 39 N 2.73 3.54 -0.41 0.00 0.00 -0.95 -0.65 121.76 126.02 2jqy s ALA 39 Ca 0.09 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2jqy s ALA 39 Cb -0.14 -3.05 0.14 0.00 0.00 0.00 0.00 23.12 20.07 2jqy s ALA 39 CO -0.17 -1.01 0.25 -0.80 0.00 0.00 0.00 175.76 174.02 2jqy s ASN 40 N 1.62 3.16 1.62 0.00 0.01 -0.72 -1.47 114.94 119.17 2jqy s ASN 40 Ca 0.24 -2.52 0.00 0.00 -0.71 0.00 0.00 52.86 49.87 2jqy s ASN 40 Cb -0.15 -0.72 0.00 0.00 0.41 0.00 0.00 41.25 40.79 2jqy s ASN 40 CO 0.11 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 2jqy n GLY 41 N 3.63 2.59 1.24 0.66 0.00 -1.20 -2.50 105.19 109.62 2jqy n GLY 41 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2jqy n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jqy n PRO 42 N 13.25 2.61 -3.62 1.61 -0.04 -1.26 -4.75 135.00 142.80 2jqy n PRO 42 Ca 0.00 -1.48 -0.24 0.00 -0.04 0.00 0.00 63.50 61.74 2jqy n PRO 42 Cb 0.00 -1.81 -0.17 0.00 -0.04 0.00 0.00 33.50 31.48 2jqy n PRO 42 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2jqy s TRP 43 N -1.78 0.13 -0.42 0.54 0.51 -1.04 -3.95 118.94 112.93 2jqy s TRP 43 Ca 0.26 -0.13 -0.09 0.00 -2.12 0.00 0.00 56.10 54.02 2jqy s TRP 43 Cb 0.20 -0.62 0.08 0.00 -0.81 0.00 0.00 33.47 32.33 2jqy s TRP 43 CO 0.07 -0.43 0.27 0.50 -0.51 0.00 0.00 176.95 176.85 2jqy s ARG 44 N 2.16 2.61 0.03 4.98 3.52 -1.14 -1.75 118.95 129.36 2jqy s ARG 44 Ca 0.03 -1.47 -0.26 0.00 -0.13 0.00 0.00 55.73 53.90 2jqy s ARG 44 Cb -0.15 -3.80 -0.05 0.00 -1.56 0.00 0.00 34.95 29.39 2jqy s ARG 44 CO -0.08 -0.96 0.81 -1.50 -0.81 0.00 0.00 175.30 172.76 2jqy s ILE 45 N 1.43 4.77 -0.06 4.11 2.07 0.18 -1.73 121.20 131.97 2jqy s ILE 45 Ca 0.03 1.71 -0.00 0.00 -1.41 0.00 0.00 60.65 60.98 2jqy s ILE 45 Cb -0.23 -4.16 0.03 0.00 0.13 0.00 0.00 42.46 38.23 2jqy s ILE 45 CO 0.02 0.31 -0.02 0.00 -1.91 0.00 0.00 174.94 173.35 2jqy s ALA 46 N 0.22 0.67 -0.28 1.50 0.00 0.22 0.10 121.76 124.19 2jqy s ALA 46 Ca 0.41 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 2jqy s ALA 46 Cb -0.20 -0.61 0.04 0.00 0.00 0.00 0.00 23.12 22.35 2jqy s ALA 46 CO 0.24 -0.28 -0.01 -0.51 0.00 0.00 0.00 175.76 175.20 2jqy s LEU 47 N 1.54 3.64 0.28 0.00 1.02 -0.67 -1.02 118.68 123.48 2jqy s LEU 47 Ca -0.02 -1.06 0.09 0.00 0.02 0.00 0.00 54.13 53.17 2jqy s LEU 47 Cb -0.13 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.32 2jqy s LEU 47 CO -0.03 -0.21 0.08 0.00 0.02 0.00 0.00 176.35 176.21 2jqy s ALA 48 N 1.31 3.34 -0.22 4.21 0.00 -0.45 -1.07 121.76 128.89 2jqy s ALA 48 Ca -0.02 -1.66 0.02 0.00 0.00 0.00 0.00 51.96 50.30 2jqy s ALA 48 Cb -0.18 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.11 2jqy s ALA 48 CO -0.02 0.20 -0.16 0.71 0.00 0.00 0.00 175.76 176.49 2jqy s TYR 49 N -2.32 2.99 -0.15 0.00 1.51 -0.97 0.92 117.35 119.34 2jqy s TYR 49 Ca 0.33 -1.95 0.01 0.00 -1.01 0.00 0.00 57.07 54.46 2jqy s TYR 49 Cb -0.06 -1.92 0.02 0.00 -0.11 0.00 0.00 41.96 39.89 2jqy s TYR 49 CO 0.22 -0.84 -0.16 -0.47 -1.11 0.00 0.00 175.55 173.19 2jqy s TYR 50 N 1.21 2.26 -0.14 2.71 5.04 0.29 -2.97 117.35 125.75 2jqy s TYR 50 Ca -0.01 -1.25 -0.15 0.00 -2.44 0.00 0.00 57.07 53.23 2jqy s TYR 50 Cb -0.16 -1.63 0.04 0.00 0.35 0.00 0.00 41.96 40.56 2jqy s TYR 50 CO -0.09 -0.66 0.40 -1.14 -1.34 0.00 0.00 175.55 172.72 2jqy s GLN 51 N 1.34 0.51 0.02 4.97 0.74 -1.26 0.12 119.66 126.10 2jqy s GLN 51 Ca 0.02 0.48 0.04 0.00 0.05 0.00 0.00 55.36 55.96 2jqy s GLN 51 Cb -0.13 0.24 -0.02 0.00 1.10 0.00 0.00 33.01 34.20 2jqy s GLN 51 CO -0.09 -0.07 -0.13 -2.00 -0.55 0.00 0.00 175.29 172.45 2jqy s GLU 52 N 0.04 0.88 0.00 1.67 2.12 -1.26 -4.88 118.70 117.27 2jqy s GLU 52 Ca -0.02 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.67 2jqy s GLU 52 Cb -0.03 -0.86 0.00 0.00 0.26 0.00 0.00 34.13 33.50 2jqy s GLU 52 CO 0.01 0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.36 2jqy n GLY 53 N 2.15 1.93 3.58 -1.50 0.00 -1.26 -5.06 105.19 105.02 2jqy n GLY 53 Ca -0.17 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 2jqy n GLY 53 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jqy s PRO 54 N -2.00 2.46 -0.26 1.61 0.04 -1.26 -4.35 135.00 131.24 2jqy s PRO 54 Ca 0.00 -1.13 -0.05 0.00 0.04 0.00 0.00 61.00 59.86 2jqy s PRO 54 Cb 0.00 -5.23 0.02 0.00 0.04 0.00 0.00 34.50 29.33 2jqy s PRO 54 CO 0.00 -4.01 0.10 0.28 0.04 0.00 0.00 177.00 173.40 2jqy n VAL 55 N 7.84-12.37 -0.08 -0.36 0.31 -1.15 -4.98 118.33 107.54 2jqy n VAL 55 Ca 0.45 2.21 -0.17 0.00 -0.01 0.00 0.00 64.34 66.82 2jqy n VAL 55 Cb 0.47 -6.78 -0.06 0.00 -0.91 0.00 0.00 33.84 26.55 2jqy n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2jqy n ASP 56 N 1.10 1.53 -2.17 4.52 -0.08 -1.26 -5.00 116.55 115.18 2jqy n ASP 56 Ca -0.16 0.14 -0.21 0.00 -1.51 0.00 0.00 54.79 53.05 2jqy n ASP 56 Cb 0.25 -0.44 -0.03 0.00 2.34 0.00 0.00 41.12 43.24 2jqy n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jqy n TYR 57 N -3.58 -0.72 -1.47 -0.67 9.36 -1.26 -4.70 117.16 114.12 2jqy n TYR 57 Ca -0.32 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.06 2jqy n TYR 57 Cb 0.75 -3.82 -0.04 0.00 -0.63 0.00 0.00 39.34 35.60 2jqy n TYR 57 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2jqy n SER 58 N -1.82 -7.17 0.00 2.98 2.88 -1.26 -5.01 113.62 104.22 2jqy n SER 58 Ca -0.24 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 2jqy n SER 58 Cb 0.69 -3.52 0.00 0.00 -0.75 0.00 0.00 64.21 60.62 2jqy n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jqy n ALA 59 N -1.86 1.55 0.00 -1.46 0.00 -1.26 -5.09 120.51 112.39 2jqy n ALA 59 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2jqy n ALA 59 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2jqy n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jqy n GLY 60 N 0.25 -1.32 3.48 0.00 0.00 -1.26 -4.98 105.19 101.36 2jqy n GLY 60 Ca 0.00 0.60 -0.20 0.00 0.00 0.00 0.00 46.02 46.42 2jqy n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jqy n LYS 61 N 0.00 -7.19 -3.99 1.61 5.02 -1.26 -4.99 118.16 107.36 2jqy n LYS 61 Ca 0.00 0.83 -0.34 0.00 -2.02 0.00 0.00 58.31 56.78 2jqy n LYS 61 Cb 0.00 -5.83 -0.15 0.00 -0.02 0.00 0.00 35.03 29.04 2jqy n LYS 61 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jqy s ARG 62 N -5.81 2.71 2.56 1.97 1.81 -1.26 -5.04 118.95 115.89 2jqy s ARG 62 Ca 0.28 -1.05 0.00 0.00 -1.72 0.00 0.00 55.73 53.24 2jqy s ARG 62 Cb -0.12 -2.94 0.00 0.00 -0.45 0.00 0.00 34.95 31.43 2jqy s ARG 62 CO 0.72 -0.43 0.00 0.41 -0.68 0.00 0.00 175.30 175.32 2jqy n GLY 63 N 4.62 -0.71 3.02 -3.53 0.00 -1.26 -4.99 105.19 102.33 2jqy n GLY 63 Ca -0.16 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 2jqy n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jqy n THR 64 N 0.00 -8.75 -1.14 2.61 -2.24 -1.17 -4.91 114.28 98.69 2jqy n THR 64 Ca 0.00 0.84 -0.09 0.00 -2.27 0.00 0.00 64.05 62.53 2jqy n THR 64 Cb 0.00 -5.95 0.26 0.00 -2.10 0.00 0.00 70.33 62.54 2jqy n THR 64 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2jqy n TRP 65 N 0.05 2.35 0.18 4.78 7.02 -1.26 -4.68 117.44 125.88 2jqy n TRP 65 Ca 0.04 -1.39 0.00 0.00 -1.02 0.00 0.00 57.50 55.13 2jqy n TRP 65 Cb 0.44 -0.71 0.00 0.00 -2.42 0.00 0.00 31.31 28.62 2jqy n TRP 65 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2jqy n PHE 66 N -0.53 -4.15 -2.66 -5.99 3.72 -1.22 -4.96 117.46 101.67 2jqy n PHE 66 Ca 0.43 1.23 -0.42 0.00 -0.05 0.00 0.00 57.45 58.65 2jqy n PHE 66 Cb 1.39 3.17 -0.03 0.00 -0.94 0.00 0.00 39.48 43.07 2jqy n PHE 66 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2jqy s ASP 67 N -2.00 6.18 0.00 4.37 2.15 0.28 -3.94 116.67 123.71 2jqy s ASP 67 Ca 0.00 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.37 2jqy s ASP 67 Cb 0.00 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 2jqy s ASP 67 CO 0.00 -1.68 0.00 0.54 -0.17 0.00 0.00 175.17 173.86 2jqy n ARG 68 N 8.76 0.00 -2.13 4.34 1.74 0.32 -4.71 116.66 124.98 2jqy n ARG 68 Ca 0.01 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.81 2jqy n ARG 68 Cb 0.48 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 32.07 2jqy n ARG 68 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2jqy s PRO 69 N 0.00 1.14 -0.28 5.56 0.04 -1.26 0.11 135.00 140.31 2jqy s PRO 69 Ca 0.00 -0.56 -0.17 0.00 0.04 0.00 0.00 61.00 60.31 2jqy s PRO 69 Cb 0.00 -2.01 0.09 0.00 0.04 0.00 0.00 34.50 32.62 2jqy s PRO 69 CO 0.00 -2.00 0.75 -2.00 0.04 0.00 0.00 177.00 173.80 2jqy s GLU 70 N -5.61 0.65 0.10 4.56 2.56 0.26 -4.09 118.70 117.14 2jqy s GLU 70 Ca 0.70 1.09 0.06 0.00 0.00 0.00 0.00 54.97 56.82 2jqy s GLU 70 Cb -0.05 0.15 -0.04 0.00 2.00 0.00 0.00 34.13 36.19 2jqy s GLU 70 CO 0.50 -0.13 -0.03 -0.51 -0.56 0.00 0.00 175.26 174.52 2jqy s LEU 71 N 1.45 3.32 -0.29 2.70 1.43 -0.98 -1.34 118.68 124.97 2jqy s LEU 71 Ca -0.09 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 2jqy s LEU 71 Cb -0.05 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.21 2jqy s LEU 71 CO -0.17 0.17 0.74 -0.70 0.23 0.00 0.00 176.35 176.62 2jqy s GLU 72 N -2.32 0.61 0.13 1.70 -6.30 -0.19 -0.95 118.70 111.38 2jqy s GLU 72 Ca 0.24 1.16 0.07 0.00 -2.50 0.00 0.00 54.97 53.94 2jqy s GLU 72 Cb -0.11 0.30 -0.04 0.00 0.00 0.00 0.00 34.13 34.28 2jqy s GLU 72 CO 0.17 -0.15 -0.16 0.08 0.02 0.00 0.00 175.26 175.23 2jqy s VAL 73 N 1.90 1.48 0.09 3.70 1.01 0.28 0.69 120.40 129.54 2jqy s VAL 73 Ca -0.09 -1.76 0.08 0.00 0.00 0.00 0.00 61.98 60.22 2jqy s VAL 73 Cb -0.06 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2jqy s VAL 73 CO -0.19 -0.37 -0.22 -2.28 0.00 0.00 0.00 175.10 172.04 2jqy s HIS 74 N -2.05 1.89 0.01 5.22 2.46 -0.71 0.11 115.29 122.23 2jqy s HIS 74 Ca 0.10 -0.40 0.02 0.00 0.47 0.00 0.00 55.06 55.25 2jqy s HIS 74 Cb -0.05 -1.07 -0.01 0.00 -0.13 0.00 0.00 32.58 31.32 2jqy s HIS 74 CO 0.04 0.19 -0.07 -0.47 -2.47 0.00 0.00 174.74 171.96 2jqy s TYR 75 N -1.02 0.59 -0.27 3.88 5.04 0.15 -2.89 117.35 122.83 2jqy s TYR 75 Ca 0.08 -0.25 -0.03 0.00 -2.44 0.00 0.00 57.07 54.43 2jqy s TYR 75 Cb -0.10 -0.37 0.09 0.00 0.35 0.00 0.00 41.96 41.94 2jqy s TYR 75 CO 0.04 -0.03 0.11 -1.14 -1.34 0.00 0.00 175.55 173.18 2jqy s GLN 76 N -0.68 0.32 0.01 4.97 0.74 -1.25 0.62 119.66 124.38 2jqy s GLN 76 Ca -0.02 -0.57 -0.12 0.00 0.05 0.00 0.00 55.36 54.69 2jqy s GLN 76 Cb -0.05 -1.50 -0.07 0.00 1.10 0.00 0.00 33.01 32.49 2jqy s GLN 76 CO 0.00 -0.94 1.06 0.35 -0.55 0.00 0.00 175.29 175.21 2jqy h PHE 77 N 8.33 -0.41 -3.72 1.67 3.04 -1.50 -3.45 116.94 120.90 2jqy h PHE 77 Ca -0.18 -0.01 -0.58 0.00 3.98 0.00 0.00 57.97 61.19 2jqy h PHE 77 Cb 1.04 0.14 -0.32 0.00 2.56 0.00 0.00 35.95 39.37 2jqy h PHE 77 CO 0.28 -0.26 -0.84 -1.17 -2.02 0.00 0.00 178.31 174.31 2jqy s LEU 78 N -6.16 1.89 -0.29 0.59 2.96 -1.22 -5.01 118.68 111.44 2jqy s LEU 78 Ca -0.06 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.50 2jqy s LEU 78 Cb 0.01 -1.03 0.07 0.00 0.50 0.00 0.00 46.19 45.75 2jqy s LEU 78 CO 0.19 0.13 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.60 2jqy s GLU 79 N 0.21 1.96 0.26 1.98 2.12 -1.26 -1.81 118.70 122.15 2jqy s GLU 79 Ca -0.08 -1.53 -0.06 0.00 0.36 0.00 0.00 54.97 53.66 2jqy s GLU 79 Cb -0.14 -2.99 -0.02 0.00 0.26 0.00 0.00 34.13 31.25 2jqy s GLU 79 CO 0.04 -0.70 0.36 -0.80 -0.54 0.00 0.00 175.26 173.62 2jqy s ASN 80 N 1.04 0.27 -0.07 -1.70 -0.87 -1.26 -5.03 114.94 107.32 2jqy s ASN 80 Ca -0.02 -1.22 0.09 0.00 -1.57 0.00 0.00 52.86 50.14 2jqy s ASN 80 Cb -0.20 0.54 0.38 0.00 -0.02 0.00 0.00 41.25 41.95 2jqy s ASN 80 CO -0.06 -1.08 1.20 -0.67 -2.57 0.00 0.00 177.10 173.92 2jqy n ASP 81 N -0.61 2.78 -0.04 -1.22 2.03 -1.26 -4.04 116.55 114.18 2jqy n ASP 81 Ca 0.00 -2.26 -0.07 0.00 0.52 0.00 0.00 54.79 52.99 2jqy n ASP 81 Cb 0.63 -0.44 -0.03 0.00 -0.72 0.00 0.00 41.12 40.56 2jqy n ASP 81 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2jqy n ASP 82 N 0.45 1.99 -3.15 1.67 8.00 -1.26 -4.21 116.55 120.05 2jqy n ASP 82 Ca 0.13 0.03 0.05 0.00 0.71 0.00 0.00 54.79 55.71 2jqy n ASP 82 Cb 0.54 -0.18 -0.00 0.00 -0.02 0.00 0.00 41.12 41.46 2jqy n ASP 82 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2jqy s PHE 83 N -2.15 -1.19 -0.08 1.24 -0.12 -1.25 -3.89 117.98 110.55 2jqy s PHE 83 Ca -0.11 0.77 -0.16 0.00 -0.05 0.00 0.00 56.93 57.39 2jqy s PHE 83 Cb 0.03 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 2jqy s PHE 83 CO 0.16 -0.69 0.43 0.45 -0.05 0.00 0.00 175.22 175.51 2jqy s SER 84 N 2.89 6.70 -0.29 1.98 0.15 0.49 -4.53 113.70 121.10 2jqy s SER 84 Ca 0.17 0.83 0.02 0.00 0.70 0.00 0.00 55.95 57.67 2jqy s SER 84 Cb -0.07 -2.26 0.07 0.00 -1.71 0.00 0.00 66.02 62.05 2jqy s SER 84 CO -0.23 0.14 -0.05 0.12 1.20 0.00 0.00 173.24 174.42 2jqy s PHE 85 N -0.05 3.37 0.50 3.44 5.36 -0.75 -1.54 117.98 128.30 2jqy s PHE 85 Ca 0.24 -2.36 0.07 0.00 -0.96 0.00 0.00 56.93 53.92 2jqy s PHE 85 Cb -0.15 -2.20 0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2jqy s PHE 85 CO 0.11 -0.88 0.43 0.20 -1.46 0.00 0.00 175.22 173.62 2jqy s GLY 86 N 1.13 2.21 -0.29 13.12 0.00 0.67 -1.21 107.32 122.95 2jqy s GLY 86 Ca -0.04 -1.63 -0.00 0.00 0.00 0.00 0.00 44.72 43.05 2jqy s GLY 86 CO -0.05 -1.83 0.55 -2.27 0.00 0.00 0.00 173.10 169.51 2jqy s LEU 87 N -4.26 -1.27 0.55 0.66 2.96 0.20 -1.20 118.68 116.33 2jqy s LEU 87 Ca 0.43 0.60 -0.15 0.00 -0.22 0.00 0.00 54.13 54.78 2jqy s LEU 87 Cb -0.03 1.92 -0.06 0.00 0.50 0.00 0.00 46.19 48.52 2jqy s LEU 87 CO 0.26 -0.28 1.01 -0.89 -1.32 0.00 0.00 176.35 175.13 2jqy s THR 88 N 2.79 4.45 -0.30 3.68 2.01 0.03 -0.68 115.64 127.62 2jqy s THR 88 Ca 0.17 1.08 -0.01 0.00 0.31 0.00 0.00 61.69 63.24 2jqy s THR 88 Cb -0.14 -3.69 0.19 0.00 0.01 0.00 0.00 72.50 68.87 2jqy s THR 88 CO -0.21 -0.77 0.70 -0.83 -0.69 0.00 0.00 174.62 172.82 2jqy s GLY 89 N -3.29 -1.02 0.35 4.40 0.00 0.12 -2.79 107.32 105.08 2jqy s GLY 89 Ca 0.59 1.69 0.03 0.00 0.00 0.00 0.00 44.72 47.03 2jqy s GLY 89 CO 0.38 3.63 0.13 -0.32 0.00 0.00 0.00 173.10 176.92 2jqy s GLY 90 N 2.87 2.26 0.03 0.20 0.00 0.29 0.10 107.32 113.06 2jqy s GLY 90 Ca 0.15 -1.63 0.05 0.00 0.00 0.00 0.00 44.72 43.29 2jqy s GLY 90 CO -0.22 -1.71 -0.14 -1.36 0.00 0.00 0.00 173.10 169.67 2jqy s PHE 91 N -3.41 1.23 -0.18 1.90 0.08 -0.13 -1.42 117.98 116.06 2jqy s PHE 91 Ca 0.32 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 57.06 2jqy s PHE 91 Cb 0.05 -0.75 0.03 0.00 -0.57 0.00 0.00 43.02 41.78 2jqy s PHE 91 CO 0.16 0.02 -0.15 1.03 -0.10 0.00 0.00 175.22 176.18 2jqy s ARG 92 N -0.91 2.47 -0.35 0.44 0.52 -0.43 -2.33 118.95 118.36 2jqy s ARG 92 Ca 0.03 -0.80 -0.10 0.00 -0.52 0.00 0.00 55.73 54.34 2jqy s ARG 92 Cb -0.07 -2.42 0.02 0.00 0.52 0.00 0.00 34.95 33.00 2jqy s ARG 92 CO 0.01 -0.31 0.17 -0.80 0.02 0.00 0.00 175.30 174.40 2jqy s ASN 93 N 1.36 5.61 -0.33 0.23 -0.87 -1.26 -2.45 114.94 117.22 2jqy s ASN 93 Ca 0.02 -0.83 0.02 0.00 -1.57 0.00 0.00 52.86 50.50 2jqy s ASN 93 Cb -0.14 -2.00 0.10 0.00 -0.02 0.00 0.00 41.25 39.19 2jqy s ASN 93 CO -0.10 -0.31 0.07 -0.31 -2.57 0.00 0.00 177.10 173.88 2jqy s TYR 94 N 1.56 2.76 -0.20 2.20 2.02 -0.21 -3.52 117.35 121.97 2jqy s TYR 94 Ca 0.03 -2.39 -0.31 0.00 -0.37 0.00 0.00 57.07 54.02 2jqy s TYR 94 Cb -0.18 -2.34 0.15 0.00 -0.40 0.00 0.00 41.96 39.19 2jqy s TYR 94 CO 0.06 -0.92 1.17 0.20 -1.57 0.00 0.00 175.55 174.49 2jqy s GLY 95 N 1.25 -0.19 0.26 0.71 0.00 -1.26 0.36 107.32 108.46 2jqy s GLY 95 Ca 0.10 2.05 0.10 0.00 0.00 0.00 0.00 44.72 46.98 2jqy s GLY 95 CO -0.16 0.83 -0.08 -0.19 0.00 0.00 0.00 173.10 173.50 2jqy s TYR 96 N -1.67 2.55 -0.05 1.90 2.02 -0.77 0.10 117.35 121.43 2jqy s TYR 96 Ca 0.06 -0.26 -0.31 0.00 -0.37 0.00 0.00 57.07 56.18 2jqy s TYR 96 Cb -0.01 -1.13 0.13 0.00 -0.40 0.00 0.00 41.96 40.55 2jqy s TYR 96 CO -0.04 0.64 1.35 -1.01 -1.57 0.00 0.00 175.55 174.92 2jqy s HIS 97 N -2.32 -0.02 -0.40 2.71 3.76 -1.25 -2.49 115.29 115.28 2jqy s HIS 97 Ca 0.30 -0.04 0.07 0.00 -0.15 0.00 0.00 55.06 55.24 2jqy s HIS 97 Cb -0.06 0.53 0.18 0.00 1.11 0.00 0.00 32.58 34.34 2jqy s HIS 97 CO 0.18 -0.17 0.65 0.71 -0.85 0.00 0.00 174.74 175.26 2jqy s TYR 98 N -2.26 -1.66 0.00 1.40 2.02 -1.26 -3.07 117.35 112.52 2jqy s TYR 98 Ca 0.15 0.31 0.00 0.00 -0.37 0.00 0.00 57.07 57.16 2jqy s TYR 98 Cb 0.06 0.30 0.00 0.00 -0.40 0.00 0.00 41.96 41.92 2jqy s TYR 98 CO -0.05 -1.12 0.00 0.28 -1.57 0.00 0.00 175.55 173.10 2jqy n VAL 99 N 4.46 0.00 0.00 0.71 0.31 -1.26 -3.12 118.33 119.43 2jqy n VAL 99 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2jqy n VAL 99 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 2jqy n VAL 99 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2jqy n ASP 100 N 1.81 -0.04 -3.21 4.52 5.75 -1.26 -5.09 116.55 119.03 2jqy n ASP 100 Ca 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 54.79 54.78 2jqy n ASP 100 Cb 0.00 0.38 -0.02 0.00 -1.03 0.00 0.00 41.12 40.46 2jqy n ASP 100 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2jqy s GLU 101 N -2.00 0.60 0.02 0.11 2.02 -1.18 -5.04 118.70 113.23 2jqy s GLU 101 Ca 0.00 0.18 -0.18 0.00 0.02 0.00 0.00 54.97 54.99 2jqy s GLU 101 Cb 0.00 0.05 -0.23 0.00 0.10 0.00 0.00 34.13 34.05 2jqy s GLU 101 CO 0.00 -1.09 1.12 -1.00 0.02 0.00 0.00 175.26 174.31 2jqy h PRO 102 N 7.73 0.48 0.00 0.39 0.13 -1.94 -3.48 132.00 135.30 2jqy h PRO 102 Ca -0.01 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jqy h PRO 102 Cb 1.17 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2jqy h PRO 102 CO 0.16 1.15 0.00 0.41 -0.23 0.00 0.00 178.00 179.49 2jqy n GLY 103 N 1.05 1.18 3.65 1.56 0.00 -1.26 -5.12 105.19 106.26 2jqy n GLY 103 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 2jqy n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqy s LYS 104 N 0.00 1.47 -0.23 1.61 -2.85 -1.26 -5.08 119.74 113.40 2jqy s LYS 104 Ca 0.00 -0.71 -0.03 0.00 -1.00 0.00 0.00 55.97 54.23 2jqy s LYS 104 Cb 0.00 0.57 0.01 0.00 -2.06 0.00 0.00 37.83 36.35 2jqy s LYS 104 CO 0.00 -0.66 0.05 -0.25 0.10 0.00 0.00 175.35 174.59 2jqy n ASP 105 N -0.41 -5.39 -3.64 0.03 9.92 -1.26 -4.95 116.55 110.85 2jqy n ASP 105 Ca -0.10 1.18 -0.07 0.00 -0.53 0.00 0.00 54.79 55.27 2jqy n ASP 105 Cb 0.62 -4.60 -0.07 0.00 -0.64 0.00 0.00 41.12 36.42 2jqy n ASP 105 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2jqy s THR 106 N -1.16 0.00 -0.04 -3.53 -1.32 -1.26 -3.96 115.64 104.36 2jqy s THR 106 Ca -0.06 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.11 2jqy s THR 106 Cb 0.00 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.12 2jqy s THR 106 CO 0.66 0.00 1.27 0.00 -2.21 0.00 0.00 174.62 174.33 2jqy s ALA 107 N 1.27 -2.19 -0.10 11.08 0.00 -1.04 -4.80 121.76 125.98 2jqy s ALA 107 Ca -0.07 0.85 -0.03 0.00 0.00 0.00 0.00 51.96 52.71 2jqy s ALA 107 Cb -0.05 0.28 0.05 0.00 0.00 0.00 0.00 23.12 23.40 2jqy s ALA 107 CO -0.15 -0.97 0.14 -0.80 0.00 0.00 0.00 175.76 173.98 2jqy s ASN 108 N -2.83 1.08 -0.07 0.00 0.01 -1.26 -1.85 114.94 110.01 2jqy s ASN 108 Ca 0.13 0.12 -0.02 0.00 -0.71 0.00 0.00 52.86 52.38 2jqy s ASN 108 Cb 0.04 0.14 0.03 0.00 0.41 0.00 0.00 41.25 41.87 2jqy s ASN 108 CO -0.04 -0.27 0.02 -0.04 -1.51 0.00 0.00 177.10 175.26 2jqy s MET 109 N 2.25 0.46 -0.04 -0.60 -1.94 0.16 -3.47 119.30 116.12 2jqy s MET 109 Ca 0.04 0.13 0.02 0.00 -1.71 0.00 0.00 55.69 54.16 2jqy s MET 109 Cb -0.13 -0.97 -0.03 0.00 2.01 0.00 0.00 34.83 35.71 2jqy s MET 109 CO -0.06 -0.34 -0.08 -1.14 -0.01 0.00 0.00 175.02 173.39 2jqy s GLN 110 N 2.01 2.65 -0.10 2.03 2.00 -1.17 -1.05 119.66 126.03 2jqy s GLN 110 Ca 0.05 -0.62 -0.04 0.00 -2.00 0.00 0.00 55.36 52.74 2jqy s GLN 110 Cb -0.13 -2.53 0.05 0.00 0.80 0.00 0.00 33.01 31.21 2jqy s GLN 110 CO -0.05 0.64 0.22 0.50 -0.50 0.00 0.00 175.29 176.10 2jqy s ARG 111 N -0.97 0.13 0.25 1.67 3.52 -1.03 -1.79 118.95 120.74 2jqy s ARG 111 Ca 0.14 0.59 -0.19 0.00 -0.13 0.00 0.00 55.73 56.14 2jqy s ARG 111 Cb -0.11 -0.13 -0.08 0.00 -1.56 0.00 0.00 34.95 33.06 2jqy s ARG 111 CO 0.03 -0.24 0.74 -1.58 -0.81 0.00 0.00 175.30 173.44 2jqy s TRP 112 N 1.89 3.57 -0.24 5.12 0.52 -1.10 -1.31 118.94 127.38 2jqy s TRP 112 Ca -0.03 1.35 -0.00 0.00 0.02 0.00 0.00 56.10 57.44 2jqy s TRP 112 Cb -0.11 -2.61 0.07 0.00 -1.15 0.00 0.00 33.47 29.67 2jqy s TRP 112 CO -0.08 0.26 -0.01 0.21 0.02 0.00 0.00 176.95 177.36 2jqy s LYS 113 N -2.27 1.27 0.07 4.98 2.36 -0.50 -2.95 119.74 122.70 2jqy s LYS 113 Ca 0.46 -0.93 0.05 0.00 -2.55 0.00 0.00 55.97 53.00 2jqy s LYS 113 Cb -0.15 -2.44 -0.03 0.00 -1.05 0.00 0.00 37.83 34.16 2jqy s LYS 113 CO 0.20 -0.69 -0.13 0.96 1.55 0.00 0.00 175.35 177.24 2jqy s ILE 114 N 1.50 1.06 -0.29 5.43 -4.36 -1.14 0.10 121.20 123.50 2jqy s ILE 114 Ca -0.01 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 2jqy s ILE 114 Cb -0.18 -1.08 0.18 0.00 1.25 0.00 0.00 42.46 42.63 2jqy s ILE 114 CO -0.09 -0.28 0.55 0.00 0.24 0.00 0.00 174.94 175.36 2jqy s ALA 115 N -1.43 -2.08 -0.81 2.27 0.00 -1.12 -2.31 121.76 116.28 2jqy s ALA 115 Ca -0.02 1.33 -0.25 0.00 0.00 0.00 0.00 51.96 53.02 2jqy s ALA 115 Cb -0.09 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2jqy s ALA 115 CO 0.02 -1.53 1.88 -1.25 0.00 0.00 0.00 175.76 174.88 2jqy s PRO 116 N 2.79 2.64 0.61 0.00 0.04 -1.26 -0.79 135.00 139.03 2jqy s PRO 116 Ca 0.15 -0.02 -0.19 0.00 0.04 0.00 0.00 61.00 60.98 2jqy s PRO 116 Cb -0.13 -4.83 -0.03 0.00 0.04 0.00 0.00 34.50 29.56 2jqy s PRO 116 CO -0.23 -3.08 1.28 -0.51 0.04 0.00 0.00 177.00 174.49 2jqy s ASP 117 N 7.83 4.91 -0.13 6.66 1.11 -0.34 -4.37 116.67 132.34 2jqy s ASP 117 Ca 0.67 2.57 -0.05 0.00 0.18 0.00 0.00 52.55 55.92 2jqy s ASP 117 Cb -0.08 -2.62 0.06 0.00 1.07 0.00 0.00 42.92 41.35 2jqy s ASP 117 CO 0.06 -1.79 0.28 0.86 1.18 0.00 0.00 175.17 175.75 2jqy s TRP 118 N -1.44 -0.43 -0.15 4.23 -0.00 -0.87 -0.24 118.94 120.05 2jqy s TRP 118 Ca 0.79 0.98 0.00 0.00 -0.00 0.00 0.00 56.10 57.87 2jqy s TRP 118 Cb -0.36 0.02 0.03 0.00 -0.00 0.00 0.00 33.47 33.16 2jqy s TRP 118 CO 0.39 -0.33 -0.10 -0.51 -0.00 0.00 0.00 176.95 176.39 2jqy s ASP 119 N 2.09 2.63 -0.19 5.86 1.11 -0.59 -0.07 116.67 127.51 2jqy s ASP 119 Ca -0.02 -0.50 0.00 0.00 0.18 0.00 0.00 52.55 52.21 2jqy s ASP 119 Cb -0.11 -1.04 0.05 0.00 1.07 0.00 0.00 42.92 42.88 2jqy s ASP 119 CO -0.09 -0.10 -0.07 -0.69 1.18 0.00 0.00 175.17 175.40 2jqy s VAL 120 N 1.57 1.34 -0.18 -1.27 1.01 -0.39 -0.38 120.40 122.10 2jqy s VAL 120 Ca 0.04 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 2jqy s VAL 120 Cb -0.13 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2jqy s VAL 120 CO -0.09 0.10 0.03 -0.75 0.00 0.00 0.00 175.10 174.38 2jqy s LYS 121 N 1.52 3.81 -0.15 2.72 2.20 -1.25 -1.11 119.74 127.47 2jqy s LYS 121 Ca -0.01 -0.43 0.10 0.00 -0.36 0.00 0.00 55.97 55.26 2jqy s LYS 121 Cb -0.16 -3.12 -0.16 0.00 -1.51 0.00 0.00 37.83 32.88 2jqy s LYS 121 CO -0.08 0.18 -0.01 1.28 -0.36 0.00 0.00 175.35 176.36 2jqy n LEU 122 N 3.78 0.84 0.00 5.43 4.32 -1.22 -4.69 117.00 125.45 2jqy n LEU 122 Ca -0.17 -0.03 -0.09 0.00 -0.02 0.00 0.00 56.01 55.70 2jqy n LEU 122 Cb 0.52 0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 42.37 2jqy n LEU 122 CO 0.34 0.48 0.03 0.41 -1.22 0.00 0.00 177.39 177.43 2jqy n THR 123 N -2.67 0.00 -1.58 -5.08 -1.04 -1.26 -5.05 114.28 97.60 2jqy n THR 123 Ca -0.26 -1.14 -0.30 0.00 -2.04 0.00 0.00 64.05 60.32 2jqy n THR 123 Cb 0.93 0.64 -0.05 0.00 -1.82 0.00 0.00 70.33 70.03 2jqy n THR 123 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2jqy n ASP 124 N -2.03 6.93 0.00 8.00 8.00 -1.26 -4.07 116.55 132.12 2jqy n ASP 124 Ca 0.02 -3.08 0.00 0.00 0.71 0.00 0.00 54.79 52.44 2jqy n ASP 124 Cb 0.33 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 2jqy n ASP 124 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2jqy n ASP 125 N 1.44 -0.04 -4.55 -2.24 5.68 -1.26 -5.01 116.55 110.57 2jqy n ASP 125 Ca 0.54 0.03 -0.42 0.00 -0.50 0.00 0.00 54.79 54.44 2jqy n ASP 125 Cb 0.48 0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 40.57 2jqy n ASP 125 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2jqy s LEU 126 N -4.27 3.60 -0.25 -2.12 1.43 -1.26 -3.88 118.68 111.93 2jqy s LEU 126 Ca 0.00 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2jqy s LEU 126 Cb 0.00 -2.89 0.01 0.00 0.03 0.00 0.00 46.19 43.35 2jqy s LEU 126 CO 0.00 -1.51 -0.02 -0.13 0.23 0.00 0.00 176.35 174.92 2jqy s ARG 127 N 4.85 3.04 -0.01 1.70 0.52 -1.08 -3.46 118.95 124.52 2jqy s ARG 127 Ca 0.37 -0.85 -0.18 0.00 -0.52 0.00 0.00 55.73 54.54 2jqy s ARG 127 Cb -0.09 -3.09 -0.06 0.00 0.52 0.00 0.00 34.95 32.23 2jqy s ARG 127 CO 0.20 -0.36 0.51 0.12 0.02 0.00 0.00 175.30 175.79 2jqy s PHE 128 N 1.41 3.69 -0.04 -0.53 2.19 -0.27 -2.32 117.98 122.11 2jqy s PHE 128 Ca 0.02 1.09 -0.00 0.00 0.33 0.00 0.00 56.93 58.37 2jqy s PHE 128 Cb -0.16 -2.47 0.03 0.00 -1.31 0.00 0.00 43.02 39.10 2jqy s PHE 128 CO -0.02 0.46 0.00 -0.80 1.83 0.00 0.00 175.22 176.69 2jqy s ASN 129 N -0.52 0.69 -0.17 6.13 0.02 -0.07 -1.26 114.94 119.76 2jqy s ASN 129 Ca 0.27 -0.03 -0.02 0.00 -1.02 0.00 0.00 52.86 52.06 2jqy s ASN 129 Cb -0.17 -0.26 -0.01 0.00 0.02 0.00 0.00 41.25 40.83 2jqy s ASN 129 CO 0.15 -0.12 -0.09 -0.83 0.02 0.00 0.00 177.10 176.22 2jqy s GLY 130 N 1.26 1.57 -0.15 0.66 0.00 0.91 -0.66 107.32 110.90 2jqy s GLY 130 Ca -0.06 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.64 2jqy s GLY 130 CO -0.02 0.10 -0.17 -0.98 0.00 0.00 0.00 173.10 172.04 2jqy s TRP 131 N 0.88 2.33 -0.40 1.90 0.51 -0.15 -2.05 118.94 121.96 2jqy s TRP 131 Ca -0.02 -1.27 0.00 0.00 -2.12 0.00 0.00 56.10 52.69 2jqy s TRP 131 Cb -0.15 -1.66 0.11 0.00 -0.81 0.00 0.00 33.47 30.96 2jqy s TRP 131 CO 0.00 -0.65 0.15 -0.51 -0.51 0.00 0.00 176.95 175.43 2jqy s LEU 132 N 1.25 5.00 -0.21 2.99 1.02 -1.26 0.74 118.68 128.22 2jqy s LEU 132 Ca 0.01 -2.18 -0.29 0.00 0.02 0.00 0.00 54.13 51.69 2jqy s LEU 132 Cb -0.14 -1.74 0.01 0.00 0.02 0.00 0.00 46.19 44.34 2jqy s LEU 132 CO -0.08 -0.45 1.06 -0.55 0.02 0.00 0.00 176.35 176.35 2jqy s SER 133 N 1.27 7.10 -0.07 2.29 0.15 0.11 -4.03 113.70 120.52 2jqy s SER 133 Ca 0.10 1.43 0.02 0.00 0.70 0.00 0.00 55.95 58.20 2jqy s SER 133 Cb -0.21 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.57 2jqy s SER 133 CO -0.06 -0.66 -0.12 -0.04 1.20 0.00 0.00 173.24 173.57 2jqy s MET 134 N 3.10 1.71 -0.06 5.44 -1.94 -0.98 -1.10 119.30 125.48 2jqy s MET 134 Ca 0.46 -0.41 0.04 0.00 -1.71 0.00 0.00 55.69 54.07 2jqy s MET 134 Cb -0.16 -1.44 0.00 0.00 2.01 0.00 0.00 34.83 35.24 2jqy s MET 134 CO 0.08 0.00 -0.17 0.71 -0.01 0.00 0.00 175.02 175.64 2jqy s TYR 135 N 0.75 1.77 0.23 -0.03 2.02 -1.12 -2.89 117.35 118.08 2jqy s TYR 135 Ca -0.13 -0.59 0.10 0.00 -0.37 0.00 0.00 57.07 56.09 2jqy s TYR 135 Cb -0.16 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 2jqy s TYR 135 CO 0.03 -0.23 -0.11 0.15 -1.57 0.00 0.00 175.55 173.82 2jqy s LYS 136 N 0.25 1.98 0.16 -0.62 1.02 -1.15 -2.99 119.74 118.39 2jqy s LYS 136 Ca -0.09 -1.46 0.06 0.00 0.02 0.00 0.00 55.97 54.50 2jqy s LYS 136 Cb -0.14 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 2jqy s LYS 136 CO 0.04 0.38 0.05 -0.59 -0.92 0.00 0.00 175.35 174.31 2jqy s PHE 137 N -2.08 2.98 0.26 3.18 -0.71 -1.26 -2.70 117.98 117.65 2jqy s PHE 137 Ca 0.28 -0.07 -0.20 0.00 -1.04 0.00 0.00 56.93 55.89 2jqy s PHE 137 Cb -0.07 -1.45 0.07 0.00 -1.21 0.00 0.00 43.02 40.36 2jqy s PHE 137 CO 0.16 0.51 0.94 0.00 -1.34 0.00 0.00 175.22 175.49 2jqy s ALA 138 N -1.68 -1.27 0.00 1.99 0.00 -0.74 -4.95 121.76 115.11 2jqy s ALA 138 Ca 0.29 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2jqy s ALA 138 Cb -0.10 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.75 2jqy s ALA 138 CO 0.20 -1.03 0.00 0.09 0.00 0.00 0.00 175.76 175.02 2jqy n ASN 139 N -1.27 0.00 -3.94 0.00 4.13 -1.26 -3.02 115.26 109.90 2jqy n ASN 139 Ca -0.05 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.92 2jqy n ASN 139 Cb 0.60 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.72 2jqy n ASN 139 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jqy s ASP 140 N -0.31 4.95 -0.16 6.41 -1.08 -1.23 -4.95 116.67 120.30 2jqy s ASP 140 Ca 0.00 -3.75 -0.04 0.00 -0.52 0.00 0.00 52.55 48.25 2jqy s ASP 140 Cb 0.00 -1.68 -0.07 0.00 -1.46 0.00 0.00 42.92 39.71 2jqy s ASP 140 CO 0.00 -0.12 2.90 0.00 0.52 0.00 0.00 175.17 178.48 2jqy n LEU 141 N 2.15 5.74 -1.54 -1.34 -0.00 -1.26 -4.29 117.00 116.46 2jqy n LEU 141 Ca 0.18 -3.29 -0.14 0.00 -0.00 0.00 0.00 56.01 52.77 2jqy n LEU 141 Cb 0.35 -1.27 0.12 0.00 -0.00 0.00 0.00 43.42 42.62 2jqy n LEU 141 CO 0.29 1.52 0.55 -3.20 -0.00 0.00 0.00 177.39 176.55 2jqy n ASN 142 N 1.62 3.87 0.00 1.45 5.15 -1.26 -4.58 115.26 121.50 2jqy n ASN 142 Ca 0.35 -3.80 0.00 0.00 -0.60 0.00 0.00 54.58 50.53 2jqy n ASN 142 Cb 0.70 -0.56 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 2jqy n ASN 142 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2jqy n THR 143 N -0.95 0.00 -0.02 -0.44 -1.04 -1.26 -4.85 114.28 105.72 2jqy n THR 143 Ca 0.39 0.48 -0.03 0.00 -2.04 0.00 0.00 64.05 62.85 2jqy n THR 143 Cb 0.92 -1.43 -0.02 0.00 -1.82 0.00 0.00 70.33 67.97 2jqy n THR 143 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2jqy n THR 144 N -1.97 0.26 -1.85 12.58 -1.04 -1.26 -5.03 114.28 115.96 2jqy n THR 144 Ca 0.00 -0.12 -0.06 0.00 -2.04 0.00 0.00 64.05 61.83 2jqy n THR 144 Cb 0.00 -0.76 -0.01 0.00 -1.82 0.00 0.00 70.33 67.74 2jqy n THR 144 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jqy n GLY 145 N 3.08 0.32 0.43 3.41 0.00 -1.26 -4.95 105.19 106.22 2jqy n GLY 145 Ca -0.07 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2jqy n GLY 145 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jqy n TYR 146 N -3.69 0.00 0.05 1.61 4.02 -1.26 -5.06 117.16 112.82 2jqy n TYR 146 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 2jqy n TYR 146 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 2jqy n TYR 146 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jqy n ALA 147 N -2.05 3.00 -2.34 -0.72 0.00 -1.26 -5.03 120.51 112.11 2jqy n ALA 147 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2jqy n ALA 147 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 2jqy n ALA 147 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jqy n ASP 148 N -2.87 -5.72 -4.48 0.00 8.00 -1.26 -4.95 116.55 105.27 2jqy n ASP 148 Ca 0.00 0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.11 2jqy n ASP 148 Cb 0.03 -4.79 -0.10 0.00 -0.02 0.00 0.00 41.12 36.25 2jqy n ASP 148 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jqy s THR 149 N -2.98 5.22 -0.20 -3.53 -4.23 -1.26 -4.48 115.64 104.17 2jqy s THR 149 Ca 0.00 -0.51 -0.14 0.00 -1.18 0.00 0.00 61.69 59.86 2jqy s THR 149 Cb 0.00 -3.93 -0.04 0.00 1.34 0.00 0.00 72.50 69.87 2jqy s THR 149 CO 0.00 -0.30 0.33 -0.13 -0.54 0.00 0.00 174.62 173.98 2jqy s ARG 150 N 1.81 4.16 -0.28 3.99 1.81 -1.16 -4.76 118.95 124.53 2jqy s ARG 150 Ca 0.07 0.07 -0.01 0.00 -1.72 0.00 0.00 55.73 54.14 2jqy s ARG 150 Cb -0.18 -3.52 0.13 0.00 -0.45 0.00 0.00 34.95 30.93 2jqy s ARG 150 CO 0.11 0.03 0.26 0.14 -0.68 0.00 0.00 175.30 175.17 2jqy s VAL 151 N 1.11 -0.35 -0.16 3.52 -7.23 -1.25 -2.81 120.40 113.22 2jqy s VAL 151 Ca 0.16 -0.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 2jqy s VAL 151 Cb -0.14 -0.96 0.02 0.00 0.56 0.00 0.00 36.38 35.86 2jqy s VAL 151 CO 0.06 -0.48 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.57 2jqy s GLU 152 N 2.32 2.83 -0.20 4.82 2.02 -0.26 -3.16 118.70 127.08 2jqy s GLU 152 Ca 0.09 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.24 2jqy s GLU 152 Cb -0.14 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 2jqy s GLU 152 CO -0.32 -0.17 0.07 0.99 0.02 0.00 0.00 175.26 175.85 2jqy s THR 153 N 1.21 4.65 -0.25 3.63 2.01 -0.12 0.09 115.64 126.86 2jqy s THR 153 Ca 0.02 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2jqy s THR 153 Cb -0.14 -3.12 0.07 0.00 0.01 0.00 0.00 72.50 69.32 2jqy s THR 153 CO -0.10 0.42 -0.02 -0.70 -0.69 0.00 0.00 174.62 173.53 2jqy s GLU 154 N 0.78 1.44 -0.50 4.92 2.12 0.23 -1.22 118.70 126.47 2jqy s GLU 154 Ca 0.04 -1.06 -0.16 0.00 0.36 0.00 0.00 54.97 54.15 2jqy s GLU 154 Cb -0.13 -2.55 0.08 0.00 0.26 0.00 0.00 34.13 31.79 2jqy s GLU 154 CO 0.02 -0.68 0.46 0.95 -0.54 0.00 0.00 175.26 175.47 2jqy s THR 155 N 1.40 5.17 0.05 -1.70 -4.23 -1.14 -0.97 115.64 114.21 2jqy s THR 155 Ca -0.02 -1.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 2jqy s THR 155 Cb -0.19 -4.21 -0.04 0.00 1.34 0.00 0.00 72.50 69.41 2jqy s THR 155 CO -0.09 -0.69 0.10 -0.83 -0.54 0.00 0.00 174.62 172.57 2jqy s GLY 156 N 2.87 2.05 -0.11 3.99 0.00 0.17 -2.17 107.32 114.12 2jqy s GLY 156 Ca 0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 2jqy s GLY 156 CO 0.06 -0.87 -0.02 1.08 0.00 0.00 0.00 173.10 173.35 2jqy s LEU 157 N -2.18 0.93 -0.31 0.66 1.43 -1.01 -0.89 118.68 117.31 2jqy s LEU 157 Ca 0.28 -0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 53.02 2jqy s LEU 157 Cb -0.12 -0.62 0.02 0.00 0.03 0.00 0.00 46.19 45.50 2jqy s LEU 157 CO 0.20 -0.18 0.09 -1.10 0.23 0.00 0.00 176.35 175.59 2jqy s GLN 158 N 1.85 2.94 -0.13 1.70 1.11 -0.98 -2.53 119.66 123.62 2jqy s GLN 158 Ca 0.04 -0.96 -0.01 0.00 0.01 0.00 0.00 55.36 54.44 2jqy s GLN 158 Cb -0.13 -3.40 0.03 0.00 -1.01 0.00 0.00 33.01 28.50 2jqy s GLN 158 CO -0.07 -0.51 -0.06 1.52 0.01 0.00 0.00 175.29 176.18 2jqy s TYR 159 N 1.47 1.45 -0.10 0.91 1.13 -1.14 -2.62 117.35 118.45 2jqy s TYR 159 Ca 0.01 -0.78 -0.17 0.00 -1.41 0.00 0.00 57.07 54.71 2jqy s TYR 159 Cb -0.18 -1.21 -0.04 0.00 -1.10 0.00 0.00 41.96 39.43 2jqy s TYR 159 CO 0.03 -0.53 0.46 -0.08 -2.51 0.00 0.00 175.55 172.91 2jqy s THR 160 N 1.72 5.17 -2.08 -3.49 -1.32 -1.26 -2.24 115.64 112.13 2jqy s THR 160 Ca 0.04 0.91 0.13 0.00 -1.21 0.00 0.00 61.69 61.56 2jqy s THR 160 Cb -0.13 -3.79 0.33 0.00 -1.51 0.00 0.00 72.50 67.40 2jqy s THR 160 CO -0.08 0.37 1.36 0.33 -2.21 0.00 0.00 174.62 174.39 2jqy n PHE 161 N 3.39 0.26 -1.94 9.09 7.35 -1.18 -4.00 117.46 130.42 2jqy n PHE 161 Ca -0.08 -0.13 -0.05 0.00 -0.76 0.00 0.00 57.45 56.42 2jqy n PHE 161 Cb 0.52 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.29 2jqy n PHE 161 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2jqy n ASN 162 N 0.14 -0.78 -3.50 -2.13 4.13 -1.26 -5.04 115.26 106.82 2jqy n ASN 162 Ca 0.12 -1.68 -0.20 0.00 1.68 0.00 0.00 54.58 54.49 2jqy n ASN 162 Cb 0.23 0.24 0.02 0.00 -1.54 0.00 0.00 39.78 38.73 2jqy n ASN 162 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jqy n GLU 163 N 0.00 -1.39 0.00 3.52 -0.58 -1.26 -4.74 120.64 116.19 2jqy n GLU 163 Ca -0.22 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 2jqy n GLU 163 Cb 0.63 -4.33 0.00 0.00 -0.57 0.00 0.00 31.44 27.17 2jqy n GLU 163 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2jqy n THR 164 N -3.10 0.00 -3.62 2.62 -2.24 -1.26 -5.10 114.28 101.58 2jqy n THR 164 Ca -0.11 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 2jqy n THR 164 Cb 0.59 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.71 2jqy n THR 164 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jqy s VAL 165 N 0.00 4.67 0.16 2.28 1.01 -1.26 -4.47 120.40 122.79 2jqy s VAL 165 Ca 0.00 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 61.53 2jqy s VAL 165 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2jqy s VAL 165 CO 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 175.10 174.82 2jqy s ALA 166 N 1.61 2.53 -0.09 5.51 0.00 -1.21 -3.11 121.76 126.99 2jqy s ALA 166 Ca 0.04 -1.52 -0.15 0.00 0.00 0.00 0.00 51.96 50.33 2jqy s ALA 166 Cb -0.18 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 2jqy s ALA 166 CO 0.07 0.50 0.39 -0.51 0.00 0.00 0.00 175.76 176.20 2jqy s LEU 167 N -2.37 4.33 -0.37 0.00 1.02 -0.95 -3.10 118.68 117.24 2jqy s LEU 167 Ca 0.18 0.75 -0.07 0.00 0.02 0.00 0.00 54.13 55.01 2jqy s LEU 167 Cb -0.09 -2.54 0.06 0.00 0.02 0.00 0.00 46.19 43.64 2jqy s LEU 167 CO 0.09 0.15 0.17 -0.60 0.02 0.00 0.00 176.35 176.17 2jqy s ARG 168 N -0.00 2.54 -0.38 1.70 3.52 0.30 -2.88 118.95 123.74 2jqy s ARG 168 Ca 0.22 -1.35 -0.09 0.00 -0.13 0.00 0.00 55.73 54.37 2jqy s ARG 168 Cb -0.15 -3.58 0.05 0.00 -1.56 0.00 0.00 34.95 29.71 2jqy s ARG 168 CO 0.09 -0.81 0.21 0.08 -0.81 0.00 0.00 175.30 174.05 2jqy s VAL 169 N 1.38 4.26 -0.01 7.11 1.01 -1.05 -0.95 120.40 132.14 2jqy s VAL 169 Ca 0.01 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 2jqy s VAL 169 Cb -0.21 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2jqy s VAL 169 CO 0.02 -0.33 0.10 0.20 0.00 0.00 0.00 175.10 175.08 2jqy s ASN 170 N 1.74 5.84 -0.18 3.32 0.01 -0.74 -2.41 114.94 122.51 2jqy s ASN 170 Ca 0.02 0.20 -0.01 0.00 -0.71 0.00 0.00 52.86 52.36 2jqy s ASN 170 Cb -0.21 -1.72 0.00 0.00 0.41 0.00 0.00 41.25 39.74 2jqy s ASN 170 CO 0.04 0.28 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.46 2jqy s TYR 171 N -1.21 2.83 -0.15 2.20 2.02 -0.92 -2.49 117.35 119.63 2jqy s TYR 171 Ca 0.23 -1.24 -0.24 0.00 -0.37 0.00 0.00 57.07 55.45 2jqy s TYR 171 Cb -0.12 -1.96 -0.02 0.00 -0.40 0.00 0.00 41.96 39.45 2jqy s TYR 171 CO 0.14 -0.62 0.76 0.71 -1.57 0.00 0.00 175.55 174.97 2jqy s TYR 172 N 1.19 3.45 -0.32 2.71 1.51 0.03 -2.89 117.35 123.03 2jqy s TYR 172 Ca 0.02 1.19 -0.01 0.00 -1.01 0.00 0.00 57.07 57.26 2jqy s TYR 172 Cb -0.14 -2.92 0.13 0.00 -0.11 0.00 0.00 41.96 38.92 2jqy s TYR 172 CO -0.06 -0.15 0.22 -1.17 -1.11 0.00 0.00 175.55 173.28 2jqy s LEU 173 N 1.77 0.52 0.08 -1.29 0.20 -0.36 -2.18 118.68 117.42 2jqy s LEU 173 Ca 0.36 -1.61 0.07 0.00 0.69 0.00 0.00 54.13 53.65 2jqy s LEU 173 Cb -0.17 -0.13 -0.03 0.00 -0.43 0.00 0.00 46.19 45.43 2jqy s LEU 173 CO 0.14 -0.36 -0.19 -1.83 -0.29 0.00 0.00 176.35 173.82 2jqy s GLU 174 N 1.65 1.08 0.02 1.98 -1.05 -0.92 -0.94 118.70 120.52 2jqy s GLU 174 Ca 0.14 -1.06 -0.00 0.00 -0.15 0.00 0.00 54.97 53.90 2jqy s GLU 174 Cb -0.18 -1.25 -0.02 0.00 -0.44 0.00 0.00 34.13 32.23 2jqy s GLU 174 CO -0.17 0.30 -0.03 0.50 0.95 0.00 0.00 175.26 176.81 2jqy s ARG 175 N -1.71 0.34 0.00 -4.83 3.52 -1.19 -2.39 118.95 112.69 2jqy s ARG 175 Ca 0.04 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 2jqy s ARG 175 Cb -0.10 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 2jqy s ARG 175 CO 0.03 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.87 2jqy n GLY 176 N 1.44 0.57 3.23 8.12 0.00 -1.26 -4.44 105.19 112.85 2jqy n GLY 176 Ca -0.23 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 2jqy n GLY 176 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jqy s PHE 177 N -1.90 2.85 0.10 1.61 0.40 -1.26 -5.08 117.98 114.70 2jqy s PHE 177 Ca 0.00 -1.21 0.04 0.00 -0.60 0.00 0.00 56.93 55.16 2jqy s PHE 177 Cb 0.00 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 2jqy s PHE 177 CO 0.00 -0.62 -0.11 -0.80 0.70 0.00 0.00 175.22 174.39 2jqy s ASN 178 N 1.23 1.53 -0.13 1.36 0.01 -1.26 -4.57 114.94 113.12 2jqy s ASN 178 Ca 0.03 -0.78 -0.29 0.00 -0.71 0.00 0.00 52.86 51.10 2jqy s ASN 178 Cb -0.14 -0.01 -0.02 0.00 0.41 0.00 0.00 41.25 41.49 2jqy s ASN 178 CO -0.06 -0.22 1.32 0.00 -1.51 0.00 0.00 177.10 176.62 2jqy s MET 179 N -2.62 4.24 0.36 -0.60 0.23 -1.26 -5.01 119.30 114.64 2jqy s MET 179 Ca 0.05 1.75 0.05 0.00 -1.03 0.00 0.00 55.69 56.51 2jqy s MET 179 Cb -0.04 -3.76 -0.07 0.00 -1.53 0.00 0.00 34.83 29.43 2jqy s MET 179 CO 0.01 -0.69 0.03 -0.51 -2.03 0.00 0.00 175.02 171.83 2jqy s ASP 180 N 2.10 3.01 -0.22 -1.18 1.01 -1.26 -5.06 116.67 115.07 2jqy s ASP 180 Ca 0.58 -1.36 0.10 0.00 0.71 0.00 0.00 52.55 52.58 2jqy s ASP 180 Cb -0.24 -0.22 0.43 0.00 1.01 0.00 0.00 42.92 43.90 2jqy s ASP 180 CO 0.18 -0.52 1.22 -0.67 0.21 0.00 0.00 175.17 175.58 2jqy n ASP 181 N -0.79 2.22 0.00 0.27 -0.08 -1.26 -4.73 116.55 112.17 2jqy n ASP 181 Ca -0.04 -3.88 0.00 0.00 -1.51 0.00 0.00 54.79 49.36 2jqy n ASP 181 Cb 0.67 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.62 2jqy n ASP 181 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2jqy n SER 182 N -1.06 0.00 -2.22 1.67 7.64 -1.26 -5.14 113.62 113.25 2jqy n SER 182 Ca 0.23 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.11 2jqy n SER 182 Cb 0.74 0.16 -0.00 0.00 -1.01 0.00 0.00 64.21 64.10 2jqy n SER 182 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jqy n ARG 183 N -2.19 -4.66 0.00 1.43 1.74 -1.26 -5.05 116.66 106.67 2jqy n ARG 183 Ca 0.00 3.43 0.00 0.00 -0.77 0.00 0.00 57.85 60.51 2jqy n ARG 183 Cb 0.00 -4.30 0.00 0.00 -1.02 0.00 0.00 32.46 27.14 2jqy n ARG 183 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2jqy n ASN 184 N 1.64 0.00 -4.47 0.55 2.85 -1.26 -5.03 115.26 109.54 2jqy n ASN 184 Ca -0.01 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.03 2jqy n ASN 184 Cb 0.01 0.05 -0.04 0.00 1.24 0.00 0.00 39.78 41.05 2jqy n ASN 184 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2jqy s ASN 185 N -4.25 6.18 -0.14 1.20 0.02 -1.26 -4.81 114.94 111.88 2jqy s ASN 185 Ca 0.00 -0.90 0.16 0.00 -1.02 0.00 0.00 52.86 51.10 2jqy s ASN 185 Cb 0.00 -2.45 -0.23 0.00 0.02 0.00 0.00 41.25 38.59 2jqy s ASN 185 CO 0.00 -1.52 0.14 0.61 0.02 0.00 0.00 177.10 176.35 2jqy n GLY 186 N 5.35 -0.86 2.39 0.66 0.00 -1.26 -4.72 105.19 106.74 2jqy n GLY 186 Ca -0.02 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 2jqy n GLY 186 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jqy n GLU 187 N -2.54 1.03 -3.81 1.61 2.13 -1.26 -5.11 120.64 112.68 2jqy n GLU 187 Ca -0.23 -3.13 -0.08 0.00 0.66 0.00 0.00 57.16 54.38 2jqy n GLU 187 Cb 0.95 -1.45 -0.02 0.00 0.27 0.00 0.00 31.44 31.19 2jqy n GLU 187 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2jqy s PHE 188 N -2.20 -0.18 -0.06 4.31 0.40 -1.26 -5.17 117.98 113.82 2jqy s PHE 188 Ca 0.34 -0.24 -0.06 0.00 -0.60 0.00 0.00 56.93 56.37 2jqy s PHE 188 Cb 0.37 0.63 -0.04 0.00 0.51 0.00 0.00 43.02 44.49 2jqy s PHE 188 CO -0.05 -1.15 0.19 -1.12 0.70 0.00 0.00 175.22 173.79 2jqy s SER 189 N -2.91 6.43 -0.44 1.36 0.01 -1.26 -4.97 113.70 111.91 2jqy s SER 189 Ca 0.11 0.48 -0.29 0.00 1.31 0.00 0.00 55.95 57.56 2jqy s SER 189 Cb -0.05 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 64.14 2jqy s SER 189 CO 0.04 0.34 1.18 -0.89 0.41 0.00 0.00 173.24 174.32 2jqy s THR 190 N -1.16 4.19 -0.08 1.44 2.01 -1.01 -5.00 115.64 116.02 2jqy s THR 190 Ca 0.21 1.23 0.04 0.00 0.31 0.00 0.00 61.69 63.49 2jqy s THR 190 Cb -0.13 -4.50 -0.00 0.00 0.01 0.00 0.00 72.50 67.88 2jqy s THR 190 CO 0.11 -0.89 -0.22 -1.10 -0.69 0.00 0.00 174.62 171.83 2jqy s GLN 191 N 4.44 2.58 0.10 4.92 -0.21 -1.26 -2.16 119.66 128.07 2jqy s GLN 191 Ca 0.50 -0.78 0.03 0.00 0.02 0.00 0.00 55.36 55.14 2jqy s GLN 191 Cb -0.09 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.84 2jqy s GLN 191 CO 0.30 0.21 -0.09 -1.21 -2.12 0.00 0.00 175.29 172.37 2jqy s GLU 192 N 0.25 0.87 -0.11 2.91 8.01 -0.93 -4.98 118.70 124.72 2jqy s GLU 192 Ca -0.13 -1.23 0.02 0.00 0.01 0.00 0.00 54.97 53.63 2jqy s GLU 192 Cb -0.16 -0.46 -0.01 0.00 -4.31 0.00 0.00 34.13 29.19 2jqy s GLU 192 CO 0.06 0.06 -0.17 0.42 0.01 0.00 0.00 175.26 175.64 2jqy s ILE 193 N -2.82 2.71 -0.14 -1.63 -1.09 -1.26 -0.79 121.20 116.18 2jqy s ILE 193 Ca 0.08 -0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 57.70 2jqy s ILE 193 Cb -0.00 -2.09 0.03 0.00 -1.58 0.00 0.00 42.46 38.81 2jqy s ILE 193 CO -0.01 0.54 -0.07 -0.13 -1.23 0.00 0.00 174.94 174.05 2jqy s ARG 194 N 0.20 1.50 0.06 2.79 1.81 -1.04 -4.78 118.95 119.50 2jqy s ARG 194 Ca -0.10 -0.37 -0.02 0.00 -1.72 0.00 0.00 55.73 53.52 2jqy s ARG 194 Cb -0.16 -1.78 -0.04 0.00 -0.45 0.00 0.00 34.95 32.52 2jqy s ARG 194 CO 0.06 -0.34 0.24 0.00 -0.68 0.00 0.00 175.30 174.58 2jqy s ALA 195 N 1.67 3.96 -0.16 2.13 0.00 0.91 -1.80 121.76 128.47 2jqy s ALA 195 Ca 0.03 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 51.03 2jqy s ALA 195 Cb -0.14 -1.90 0.05 0.00 0.00 0.00 0.00 23.12 21.13 2jqy s ALA 195 CO -0.08 0.78 0.53 0.71 0.00 0.00 0.00 175.76 177.70 2jqy s TYR 196 N -1.50 -0.56 -0.44 0.00 2.02 -0.13 -2.25 117.35 114.50 2jqy s TYR 196 Ca 0.34 1.27 0.07 0.00 -0.37 0.00 0.00 57.07 58.39 2jqy s TYR 196 Cb -0.13 0.22 0.23 0.00 -0.40 0.00 0.00 41.96 41.89 2jqy s TYR 196 CO 0.25 -0.34 0.52 1.28 -1.57 0.00 0.00 175.55 175.70 2jqy n LEU 197 N 2.35 0.71 -4.62 -1.29 4.77 -1.25 0.11 117.00 117.78 2jqy n LEU 197 Ca -0.15 -4.77 -0.43 0.00 -0.03 0.00 0.00 56.01 50.63 2jqy n LEU 197 Cb 0.56 0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 42.00 2jqy n LEU 197 CO 0.12 2.02 1.45 -2.16 -1.33 0.00 0.00 177.39 177.50 2jqy s PRO 198 N -1.19 3.67 0.22 3.23 0.04 -1.18 -4.19 135.00 135.60 2jqy s PRO 198 Ca 0.35 1.69 0.09 0.00 0.04 0.00 0.00 61.00 63.17 2jqy s PRO 198 Cb 0.14 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 2jqy s PRO 198 CO -0.11 -1.46 -0.07 -0.48 0.04 0.00 0.00 177.00 174.92 2jqy s LEU 199 N 5.75 3.03 -0.01 -3.56 2.34 -0.97 -3.30 118.68 121.96 2jqy s LEU 199 Ca 0.76 -0.64 0.01 0.00 0.06 0.00 0.00 54.13 54.32 2jqy s LEU 199 Cb -0.26 -1.64 0.00 0.00 -0.56 0.00 0.00 46.19 43.74 2jqy s LEU 199 CO 0.31 0.06 -0.04 0.42 -1.06 0.00 0.00 176.35 176.04 2jqy s THR 200 N -2.03 0.34 -0.37 5.48 -4.23 -1.26 -0.24 115.64 113.33 2jqy s THR 200 Ca 0.28 -0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 2jqy s THR 200 Cb -0.07 -0.31 0.14 0.00 1.34 0.00 0.00 72.50 73.60 2jqy s THR 200 CO 0.17 0.11 0.22 -0.22 -0.54 0.00 0.00 174.62 174.36 2jqy s LEU 201 N 0.10 1.39 -0.40 4.79 2.96 0.12 -4.86 118.68 122.79 2jqy s LEU 201 Ca -0.01 -2.30 -0.29 0.00 -0.22 0.00 0.00 54.13 51.31 2jqy s LEU 201 Cb -0.04 -0.55 0.04 0.00 0.50 0.00 0.00 46.19 46.14 2jqy s LEU 201 CO -0.00 -0.30 0.57 0.61 -1.32 0.00 0.00 176.35 175.91 2jqy n GLY 202 N 3.91 -0.38 3.51 7.98 0.00 -1.26 -3.00 105.19 115.94 2jqy n GLY 202 Ca 0.11 1.07 -0.23 0.00 0.00 0.00 0.00 46.02 46.97 2jqy n GLY 202 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jqy n ASN 203 N -0.05 -6.13 -3.31 1.61 2.85 -1.26 -4.98 115.26 103.99 2jqy n ASN 203 Ca -0.02 -0.52 -0.10 0.00 -0.11 0.00 0.00 54.58 53.83 2jqy n ASN 203 Cb 0.59 -4.85 -0.06 0.00 1.24 0.00 0.00 39.78 36.70 2jqy n ASN 203 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 2jqy s HIS 204 N -3.31 -0.94 -0.01 1.20 2.46 -1.16 -4.72 115.29 108.80 2jqy s HIS 204 Ca 0.55 0.11 -0.09 0.00 0.47 0.00 0.00 55.06 56.11 2jqy s HIS 204 Cb -0.24 -0.17 -0.05 0.00 -0.13 0.00 0.00 32.58 31.99 2jqy s HIS 204 CO 0.70 -1.00 0.28 -1.12 -2.47 0.00 0.00 174.74 171.13 2jqy s SER 205 N 2.30 6.55 -0.31 9.88 0.01 -1.03 0.16 113.70 131.26 2jqy s SER 205 Ca 0.11 0.65 -0.00 0.00 1.31 0.00 0.00 55.95 58.02 2jqy s SER 205 Cb -0.12 -2.13 0.14 0.00 0.21 0.00 0.00 66.02 64.12 2jqy s SER 205 CO -0.24 0.29 0.28 -0.69 0.41 0.00 0.00 173.24 173.30 2jqy s VAL 206 N -1.21 -0.32 -0.43 3.43 1.01 0.67 -0.49 120.40 123.05 2jqy s VAL 206 Ca 0.25 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2jqy s VAL 206 Cb -0.14 -0.94 0.08 0.00 0.00 0.00 0.00 36.38 35.38 2jqy s VAL 206 CO 0.13 -0.55 0.30 -0.89 0.00 0.00 0.00 175.10 174.09 2jqy s THR 207 N 2.10 4.48 0.68 3.92 2.01 -0.88 -2.30 115.64 125.66 2jqy s THR 207 Ca 0.11 -1.33 -0.10 0.00 0.31 0.00 0.00 61.69 60.68 2jqy s THR 207 Cb -0.15 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.65 2jqy s THR 207 CO -0.27 -0.54 1.05 -2.16 -0.69 0.00 0.00 174.62 172.01 2jqy s PRO 208 N 1.48 2.82 -0.13 4.92 0.04 -1.26 -1.56 135.00 141.31 2jqy s PRO 208 Ca 0.03 0.30 -0.02 0.00 0.04 0.00 0.00 61.00 61.36 2jqy s PRO 208 Cb -0.23 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 2jqy s PRO 208 CO 0.03 -0.97 -0.07 0.71 0.04 0.00 0.00 177.00 176.73 2jqy s TYR 209 N -3.27 2.94 0.03 0.56 1.51 -1.07 -3.83 117.35 114.21 2jqy s TYR 209 Ca 0.57 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.29 2jqy s TYR 209 Cb -0.11 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.84 2jqy s TYR 209 CO 0.50 -0.03 -0.04 0.99 -1.11 0.00 0.00 175.55 175.86 2jqy s THR 210 N 0.15 0.21 -0.30 -0.71 2.01 -0.95 -3.09 115.64 112.95 2jqy s THR 210 Ca -0.03 -0.99 0.19 0.00 0.31 0.00 0.00 61.69 61.17 2jqy s THR 210 Cb -0.14 -0.39 0.47 0.00 0.01 0.00 0.00 72.50 72.45 2jqy s THR 210 CO 0.04 -0.50 1.06 0.54 -0.69 0.00 0.00 174.62 175.07 2jqy n ARG 211 N 1.50 1.37 -0.03 4.92 1.74 -1.26 -0.06 116.66 124.83 2jqy n ARG 211 Ca -0.23 -3.17 -0.04 0.00 -0.77 0.00 0.00 57.85 53.63 2jqy n ARG 211 Cb 0.55 -1.23 -0.04 0.00 -1.02 0.00 0.00 32.46 30.71 2jqy n ARG 211 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2jqy n ILE 212 N -0.35 0.44 -2.21 0.55 -5.35 -1.26 -5.00 119.36 106.17 2jqy n ILE 212 Ca 0.06 -0.23 -0.08 0.00 -0.27 0.00 0.00 62.75 62.23 2jqy n ILE 212 Cb 0.82 -0.81 -0.01 0.00 -1.74 0.00 0.00 39.64 37.89 2jqy n ILE 212 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jqy n GLY 213 N 2.81 -0.24 2.93 3.28 0.00 -1.26 -4.91 105.19 107.80 2jqy n GLY 213 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2jqy n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jqy s LEU 214 N -4.95 1.36 -0.66 0.99 1.43 -1.26 -5.10 118.68 110.49 2jqy s LEU 214 Ca 0.00 -0.20 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 2jqy s LEU 214 Cb 0.00 -0.62 0.07 0.00 0.03 0.00 0.00 46.19 45.66 2jqy s LEU 214 CO 0.00 -0.04 0.98 -1.81 0.23 0.00 0.00 176.35 175.71 2jqy s ASP 215 N 1.01 6.18 -0.22 2.29 1.01 -1.26 -5.01 116.67 120.67 2jqy s ASP 215 Ca -0.09 -0.92 -0.09 0.00 0.71 0.00 0.00 52.55 52.16 2jqy s ASP 215 Cb -0.14 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2jqy s ASP 215 CO -0.00 -1.46 0.10 -0.60 0.21 0.00 0.00 175.17 173.43 2jqy s ARG 216 N 4.17 3.96 -1.01 8.23 3.52 -1.26 -5.02 118.95 131.54 2jqy s ARG 216 Ca 0.23 -0.33 -0.23 0.00 -0.13 0.00 0.00 55.73 55.26 2jqy s ARG 216 Cb -0.16 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 2jqy s ARG 216 CO 0.11 0.11 1.86 -1.58 -0.81 0.00 0.00 175.30 174.99 2jqy s TRP 217 N 0.85 2.00 -0.15 5.12 0.51 -1.26 -4.70 118.94 121.31 2jqy s TRP 217 Ca 0.05 0.25 -0.12 0.00 -2.12 0.00 0.00 56.10 54.16 2jqy s TRP 217 Cb -0.13 -4.17 -0.04 0.00 -0.81 0.00 0.00 33.47 28.32 2jqy s TRP 217 CO 0.03 -1.65 -0.23 -1.13 -0.51 0.00 0.00 176.95 173.46 2jqy n SER 218 N 13.03 1.81 -2.44 2.95 3.41 -1.26 -4.99 113.62 126.14 2jqy n SER 218 Ca 0.41 0.52 -0.20 0.00 -0.26 0.00 0.00 58.87 59.34 2jqy n SER 218 Cb 0.47 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2jqy n SER 218 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jqy n ASN 219 N -4.51 -5.79 0.05 4.04 3.02 -1.26 -4.88 115.26 105.93 2jqy n ASN 219 Ca -0.09 -0.08 -0.10 0.00 -0.03 0.00 0.00 54.58 54.27 2jqy n ASN 219 Cb 0.35 -4.76 -0.13 0.00 -0.61 0.00 0.00 39.78 34.63 2jqy n ASN 219 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 2jqy h TRP 220 N -0.33 0.14 -1.69 3.10 -0.00 -1.98 -3.40 115.95 111.78 2jqy h TRP 220 Ca -0.48 -0.10 -0.68 0.00 -0.00 0.00 0.00 58.89 57.62 2jqy h TRP 220 Cb 1.35 -0.01 -0.14 0.00 -0.00 0.00 0.00 29.16 30.37 2jqy h TRP 220 CO 0.53 1.11 1.44 -0.51 -0.00 0.00 0.00 178.44 181.01 2jqy s ASP 221 N -6.66 6.77 0.44 2.65 1.01 -1.26 -4.81 116.67 114.81 2jqy s ASP 221 Ca -0.03 -2.26 0.11 0.00 0.71 0.00 0.00 52.55 51.08 2jqy s ASP 221 Cb 0.09 -2.48 0.98 0.00 1.01 0.00 0.00 42.92 42.51 2jqy s ASP 221 CO 0.83 -1.11 2.05 -0.50 0.21 0.00 0.00 175.17 176.66 2jqy h TRP 222 N 8.31 0.26 -3.70 4.23 4.06 -1.90 -3.45 115.95 123.76 2jqy h TRP 222 Ca 0.28 -0.00 -0.21 0.00 2.06 0.00 0.00 58.89 61.01 2jqy h TRP 222 Cb 0.94 -0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.97 2jqy h TRP 222 CO 1.24 0.23 -0.05 1.04 -3.56 0.00 0.00 178.44 177.33 2jqy n GLN 223 N -4.44 0.76 -0.08 0.49 6.02 -1.26 -5.06 117.38 113.80 2jqy n GLN 223 Ca -0.00 -2.53 -0.11 0.00 -0.01 0.00 0.00 57.00 54.34 2jqy n GLN 223 Cb 0.13 2.57 -0.04 0.00 1.02 0.00 0.00 30.24 33.92 2jqy n GLN 223 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2jqy h ASP 224 N 1.87 0.40 -4.19 1.08 3.32 -2.03 -3.44 116.42 113.44 2jqy h ASP 224 Ca -0.27 -0.27 -0.49 0.00 0.02 0.00 0.00 57.03 56.02 2jqy h ASP 224 Cb 1.14 -0.11 0.13 0.00 0.22 0.00 0.00 39.33 40.71 2jqy h ASP 224 CO 0.36 0.58 0.29 -1.81 -1.72 0.00 0.00 179.24 176.94 2jqy s ASP 225 N -5.87 4.02 0.16 6.45 1.11 -1.26 -5.08 116.67 116.20 2jqy s ASP 225 Ca -0.14 1.46 -0.01 0.00 0.18 0.00 0.00 52.55 54.04 2jqy s ASP 225 Cb 0.07 -2.16 -0.04 0.00 1.07 0.00 0.00 42.92 41.86 2jqy s ASP 225 CO 0.74 -2.29 0.08 0.27 1.18 0.00 0.00 175.17 175.15 2jqy s ILE 226 N -3.02 0.11 0.00 0.77 -5.25 -1.26 -4.89 121.20 107.65 2jqy s ILE 226 Ca 0.62 -1.94 0.00 0.00 -0.99 0.00 0.00 60.65 58.34 2jqy s ILE 226 Cb -0.16 -2.19 0.00 0.00 2.95 0.00 0.00 42.46 43.05 2jqy s ILE 226 CO 0.56 -0.32 0.00 1.21 -1.79 0.00 0.00 174.94 174.60 2jqy n GLU 227 N -0.16 0.00 -3.71 0.37 0.00 -1.26 -5.08 120.64 110.81 2jqy n GLU 227 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.75 2jqy n GLU 227 Cb 0.64 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.97 2jqy n GLU 227 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2jqy s ARG 228 N -1.51 2.42 -0.04 5.31 3.52 -1.26 -5.07 118.95 122.32 2jqy s ARG 228 Ca 0.00 -1.50 0.04 0.00 -0.13 0.00 0.00 55.73 54.14 2jqy s ARG 228 Cb 0.00 -3.61 -0.00 0.00 -1.56 0.00 0.00 34.95 29.77 2jqy s ARG 228 CO 0.00 -0.91 -0.17 -1.83 -0.81 0.00 0.00 175.30 171.57 2jqy s GLU 229 N 1.32 1.73 -0.42 5.12 -1.05 -1.26 -5.06 118.70 119.08 2jqy s GLU 229 Ca 0.03 -0.61 0.09 0.00 -0.15 0.00 0.00 54.97 54.32 2jqy s GLU 229 Cb -0.22 -1.53 0.31 0.00 -0.44 0.00 0.00 34.13 32.25 2jqy s GLU 229 CO -0.00 0.27 0.82 0.41 0.95 0.00 0.00 175.26 177.71 2jqy n GLY 230 N 3.06 2.10 1.72 -3.83 0.00 -1.26 -5.13 105.19 101.86 2jqy n GLY 230 Ca -0.18 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 2jqy n GLY 230 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jqy n HIS 231 N 0.72 -0.21 -2.48 1.61 8.25 -1.26 -5.08 115.22 116.77 2jqy n HIS 231 Ca 0.17 -1.43 -0.00 0.00 -0.26 0.00 0.00 57.72 56.19 2jqy n HIS 231 Cb 0.64 0.09 0.02 0.00 1.12 0.00 0.00 29.99 31.85 2jqy n HIS 231 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2jqy n ASP 232 N -2.08 0.39 -4.69 0.41 -0.08 -1.26 -5.13 116.55 104.12 2jqy n ASP 232 Ca 0.01 -2.03 -0.32 0.00 -1.51 0.00 0.00 54.79 50.95 2jqy n ASP 232 Cb 0.32 -0.09 0.15 0.00 2.34 0.00 0.00 41.12 43.84 2jqy n ASP 232 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 2jqy s PHE 233 N -0.80 1.76 0.05 -0.67 2.19 -1.26 -5.01 117.98 114.24 2jqy s PHE 233 Ca 0.22 1.75 -0.01 0.00 0.33 0.00 0.00 56.93 59.22 2jqy s PHE 233 Cb 0.29 -3.34 0.01 0.00 -1.31 0.00 0.00 43.02 38.67 2jqy s PHE 233 CO -0.10 -2.71 0.04 0.09 1.83 0.00 0.00 175.22 174.37 2jqy n ASN 234 N -3.95 -1.68 -4.60 6.13 3.02 -1.26 -5.02 115.26 107.91 2jqy n ASN 234 Ca 0.12 -0.23 -0.34 0.00 -0.03 0.00 0.00 54.58 54.10 2jqy n ASN 234 Cb 0.52 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.54 2jqy n ASN 234 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2jqy s ARG 235 N -3.08 3.29 0.46 3.52 3.52 -1.26 -5.12 118.95 120.27 2jqy s ARG 235 Ca 0.03 -0.46 0.06 0.00 -0.13 0.00 0.00 55.73 55.22 2jqy s ARG 235 Cb -0.00 -2.85 0.06 0.00 -1.56 0.00 0.00 34.95 30.60 2jqy s ARG 235 CO 0.02 0.49 0.49 1.33 -0.81 0.00 0.00 175.30 176.82 2jqy n VAL 236 N 2.77 0.00 -3.25 7.11 0.24 -1.26 -4.95 118.33 118.99 2jqy n VAL 236 Ca -0.18 -1.66 -0.18 0.00 -2.04 0.00 0.00 64.34 60.28 2jqy n VAL 236 Cb 0.53 -0.36 -0.00 0.00 -1.47 0.00 0.00 33.84 32.53 2jqy n VAL 236 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2jqy s GLY 237 N -3.92 1.86 -0.10 7.63 0.00 -1.18 -4.89 107.32 106.72 2jqy s GLY 237 Ca 0.37 -1.63 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 2jqy s GLY 237 CO 0.24 -1.48 0.23 1.08 0.00 0.00 0.00 173.10 173.16 2jqy s LEU 238 N -4.26 0.33 -0.40 0.66 1.43 -1.01 -2.61 118.68 112.82 2jqy s LEU 238 Ca 0.51 0.50 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 2jqy s LEU 238 Cb -0.09 0.67 0.11 0.00 0.03 0.00 0.00 46.19 46.91 2jqy s LEU 238 CO 0.32 -0.18 0.15 0.12 0.23 0.00 0.00 176.35 176.99 2jqy s PHE 239 N 1.46 3.62 0.14 0.29 2.19 -0.60 -1.63 117.98 123.45 2jqy s PHE 239 Ca -0.07 -2.84 -0.30 0.00 0.33 0.00 0.00 56.93 54.05 2jqy s PHE 239 Cb -0.11 -3.02 -0.07 0.00 -1.31 0.00 0.00 43.02 38.51 2jqy s PHE 239 CO -0.08 -0.92 1.06 -0.47 1.83 0.00 0.00 175.22 176.64 2jqy s TYR 240 N 0.75 3.65 -0.19 10.12 5.04 0.43 -2.06 117.35 135.10 2jqy s TYR 240 Ca 0.11 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 2jqy s TYR 240 Cb -0.21 -3.21 0.04 0.00 0.35 0.00 0.00 41.96 38.93 2jqy s TYR 240 CO -0.06 -0.39 -0.08 0.20 -1.34 0.00 0.00 175.55 173.88 2jqy s GLY 241 N 0.06 1.17 -0.19 8.97 0.00 0.35 -1.12 107.32 116.56 2jqy s GLY 241 Ca 0.49 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 44.07 2jqy s GLY 241 CO 0.32 0.78 0.19 -0.47 0.00 0.00 0.00 173.10 173.92 2jqy s TYR 242 N 1.47 -0.15 0.13 1.90 6.14 0.29 -2.47 117.35 124.65 2jqy s TYR 242 Ca -0.01 0.08 0.02 0.00 0.64 0.00 0.00 57.07 57.81 2jqy s TYR 242 Cb -0.16 -0.45 -0.01 0.00 0.42 0.00 0.00 41.96 41.76 2jqy s TYR 242 CO -0.08 -0.57 0.09 -0.40 0.64 0.00 0.00 175.55 175.22 2jqy n ASP 243 N 5.31 0.14 -2.66 4.32 5.68 -1.26 0.96 116.55 129.04 2jqy n ASP 243 Ca -0.06 -1.78 -0.14 0.00 -0.50 0.00 0.00 54.79 52.31 2jqy n ASP 243 Cb 0.49 0.53 0.06 0.00 -1.14 0.00 0.00 41.12 41.06 2jqy n ASP 243 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 2jqy n PHE 244 N -0.26 -1.74 -0.06 2.11 -0.00 -1.25 -4.95 117.46 111.32 2jqy n PHE 244 Ca 0.01 0.67 -0.08 0.00 -0.00 0.00 0.00 57.45 58.06 2jqy n PHE 244 Cb 0.22 -3.98 -0.08 0.00 -0.00 0.00 0.00 39.48 35.64 2jqy n PHE 244 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2jqy n GLN 245 N -3.37 1.27 -1.24 -4.13 6.02 -1.26 -4.86 117.38 109.82 2jqy n GLN 245 Ca -0.11 0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 56.88 2jqy n GLN 245 Cb 0.58 -1.30 -0.02 0.00 1.02 0.00 0.00 30.24 30.53 2jqy n GLN 245 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2jqy n ASN 246 N -2.67 -0.83 0.00 1.08 3.02 -1.26 -4.97 115.26 109.63 2jqy n ASN 246 Ca -0.22 -1.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 2jqy n ASN 246 Cb 0.83 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 40.29 2jqy n ASN 246 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqy n GLY 247 N -0.28 3.19 3.82 7.41 0.00 -1.26 -5.03 105.19 113.03 2jqy n GLY 247 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 2jqy n GLY 247 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jqy s LEU 248 N 0.00 3.99 0.45 0.99 2.34 -1.26 -2.47 118.68 122.72 2jqy s LEU 248 Ca 0.00 0.11 0.03 0.00 0.06 0.00 0.00 54.13 54.33 2jqy s LEU 248 Cb 0.00 -2.57 0.01 0.00 -0.56 0.00 0.00 46.19 43.07 2jqy s LEU 248 CO 0.00 0.20 0.64 -0.55 -1.06 0.00 0.00 176.35 175.58 2jqy s SER 249 N -2.26 5.65 -0.18 1.48 0.15 0.06 -3.86 113.70 114.74 2jqy s SER 249 Ca 0.29 -0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.85 2jqy s SER 249 Cb -0.12 -1.09 0.09 0.00 -1.71 0.00 0.00 66.02 63.18 2jqy s SER 249 CO 0.22 -0.80 0.33 -0.69 1.20 0.00 0.00 173.24 173.50 2jqy s VAL 250 N -2.50 -0.52 0.02 4.45 1.01 0.27 -2.82 120.40 120.31 2jqy s VAL 250 Ca 0.52 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2jqy s VAL 250 Cb -0.10 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 2jqy s VAL 250 CO 0.36 0.04 -0.03 -0.44 0.00 0.00 0.00 175.10 175.02 2jqy s SER 251 N 2.50 0.34 -0.15 3.32 0.01 0.54 0.10 113.70 120.37 2jqy s SER 251 Ca 0.02 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.93 2jqy s SER 251 Cb -0.13 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.17 2jqy s SER 251 CO -0.11 -0.19 -0.20 -0.76 0.41 0.00 0.00 173.24 172.39 2jqy s LEU 252 N -1.07 2.02 -0.16 2.44 1.02 -0.28 0.88 118.68 123.54 2jqy s LEU 252 Ca -0.10 -0.58 -0.05 0.00 0.02 0.00 0.00 54.13 53.42 2jqy s LEU 252 Cb -0.07 -1.38 -0.03 0.00 0.02 0.00 0.00 46.19 44.72 2jqy s LEU 252 CO -0.00 0.04 0.01 -1.83 0.02 0.00 0.00 176.35 174.59 2jqy s GLU 253 N 1.00 3.70 -0.08 1.70 -1.05 -1.03 -0.43 118.70 122.52 2jqy s GLU 253 Ca -0.03 -0.42 0.01 0.00 -0.15 0.00 0.00 54.97 54.37 2jqy s GLU 253 Cb -0.15 -3.03 0.02 0.00 -0.44 0.00 0.00 34.13 30.54 2jqy s GLU 253 CO -0.05 0.33 -0.07 0.71 0.95 0.00 0.00 175.26 177.13 2jqy s TYR 254 N 0.15 1.20 -0.08 4.83 2.02 -0.64 -2.48 117.35 122.35 2jqy s TYR 254 Ca 0.02 -0.49 0.16 0.00 -0.37 0.00 0.00 57.07 56.39 2jqy s TYR 254 Cb -0.13 -1.00 0.30 0.00 -0.40 0.00 0.00 41.96 40.73 2jqy s TYR 254 CO 0.02 -0.35 1.15 0.00 -1.57 0.00 0.00 175.55 174.80 2jqy n ALA 255 N 4.45 2.91 -2.64 3.71 0.00 -1.26 -2.41 120.51 125.27 2jqy n ALA 255 Ca -0.17 -1.73 -0.42 0.00 0.00 0.00 0.00 53.44 51.12 2jqy n ALA 255 Cb 0.51 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 2jqy n ALA 255 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jqy s PHE 256 N -0.55 2.43 0.06 0.00 0.08 -1.26 -4.88 117.98 113.86 2jqy s PHE 256 Ca 0.19 -0.30 -0.23 0.00 0.12 0.00 0.00 56.93 56.71 2jqy s PHE 256 Cb 0.26 -4.55 -0.16 0.00 -0.57 0.00 0.00 43.02 38.01 2jqy s PHE 256 CO -0.09 -1.94 1.61 1.49 -0.10 0.00 0.00 175.22 176.19 2jqy h GLU 257 N 9.85 0.03 -5.63 0.44 4.57 -1.95 -3.45 114.58 118.44 2jqy h GLU 257 Ca -0.21 -0.01 -0.63 0.00 -1.18 0.00 0.00 59.36 57.33 2jqy h GLU 257 Cb 1.05 -0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 29.51 2jqy h GLU 257 CO 1.27 0.16 -0.57 -1.58 -1.18 0.00 0.00 179.01 177.11 2jqy s TRP 258 N -5.64 2.43 -0.17 0.92 0.52 -1.26 -4.89 118.94 110.85 2jqy s TRP 258 Ca -0.14 -0.70 -0.06 0.00 0.02 0.00 0.00 56.10 55.22 2jqy s TRP 258 Cb 0.05 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 2jqy s TRP 258 CO 0.67 0.37 0.04 -1.14 0.02 0.00 0.00 176.95 176.91 2jqy s GLN 259 N -3.77 3.82 0.32 4.98 0.74 -1.26 -5.10 119.66 119.39 2jqy s GLN 259 Ca 0.32 -0.37 0.07 0.00 0.05 0.00 0.00 55.36 55.43 2jqy s GLN 259 Cb 0.08 -3.13 -0.06 0.00 1.10 0.00 0.00 33.01 30.99 2jqy s GLN 259 CO 0.17 0.33 -0.03 0.16 -0.55 0.00 0.00 175.29 175.36 2jqy s ASP 260 N 0.19 3.09 0.16 6.67 1.47 -1.26 -5.08 116.67 121.90 2jqy s ASP 260 Ca 0.03 -1.25 0.00 0.00 1.18 0.00 0.00 52.55 52.51 2jqy s ASP 260 Cb -0.12 -0.23 0.00 0.00 -0.34 0.00 0.00 42.92 42.22 2jqy s ASP 260 CO 0.01 -0.38 0.00 1.41 0.68 0.00 0.00 175.17 176.89 2jqy n HIS 261 N -0.71 -1.14 -3.83 2.11 8.25 -1.26 -5.13 115.22 113.51 2jqy n HIS 261 Ca -0.05 0.20 -0.12 0.00 -0.26 0.00 0.00 57.72 57.49 2jqy n HIS 261 Cb 0.65 0.34 -0.09 0.00 1.12 0.00 0.00 29.99 32.00 2jqy n HIS 261 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2jqy s ASP 262 N -5.14 -0.06 0.02 0.41 -1.08 -1.26 -5.06 116.67 104.49 2jqy s ASP 262 Ca 0.00 -0.07 -0.00 0.00 -0.52 0.00 0.00 52.55 51.95 2jqy s ASP 262 Cb 0.00 0.26 0.00 0.00 -1.46 0.00 0.00 42.92 41.72 2jqy s ASP 262 CO 0.00 -0.39 0.00 1.21 0.52 0.00 0.00 175.17 176.52 2jqy n GLU 263 N 1.45 -5.10 0.00 4.34 2.13 -1.26 -4.92 120.64 117.28 2jqy n GLU 263 Ca -0.22 3.71 0.00 0.00 0.66 0.00 0.00 57.16 61.31 2jqy n GLU 263 Cb 0.56 -4.66 0.00 0.00 0.27 0.00 0.00 31.44 27.61 2jqy n GLU 263 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jqy n GLY 264 N 1.79 1.65 0.11 8.31 0.00 -1.26 -5.04 105.19 110.75 2jqy n GLY 264 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2jqy n GLY 264 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jqy n ASP 265 N 0.00 1.35 -4.53 1.61 8.00 -1.26 -4.71 116.55 117.01 2jqy n ASP 265 Ca 0.00 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.33 2jqy n ASP 265 Cb 0.00 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 2jqy n ASP 265 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2jqy s SER 266 N -6.42 6.48 0.14 -2.24 0.15 -1.26 -4.56 113.70 105.99 2jqy s SER 266 Ca -0.14 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.06 2jqy s SER 266 Cb 0.07 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2jqy s SER 266 CO 0.79 -1.46 0.00 0.47 1.20 0.00 0.00 173.24 174.24 2jqy n ASP 267 N 8.44 0.25 -4.80 5.45 8.00 -1.26 -5.13 116.55 127.50 2jqy n ASP 267 Ca 0.27 0.24 -0.32 0.00 0.71 0.00 0.00 54.79 55.68 2jqy n ASP 267 Cb 0.50 0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 2jqy n ASP 267 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2jqy s LYS 268 N -2.00 2.22 -0.46 -1.24 1.02 -1.26 -5.05 119.74 112.97 2jqy s LYS 268 Ca 0.00 -2.35 0.04 0.00 0.02 0.00 0.00 55.97 53.68 2jqy s LYS 268 Cb 0.00 -1.64 0.53 0.00 -0.52 0.00 0.00 37.83 36.20 2jqy s LYS 268 CO 0.00 -0.44 1.75 0.34 -0.92 0.00 0.00 175.35 176.09 2jqy n PHE 269 N -1.39 2.60 -4.11 3.18 7.35 -1.26 -4.98 117.46 118.85 2jqy n PHE 269 Ca -0.17 -2.22 -0.29 0.00 -0.76 0.00 0.00 57.45 54.01 2jqy n PHE 269 Cb 0.66 -0.92 -0.07 0.00 0.35 0.00 0.00 39.48 39.50 2jqy n PHE 269 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2jqy s HIS 270 N -3.50 3.04 0.36 -5.13 3.76 -1.26 -5.13 115.29 107.43 2jqy s HIS 270 Ca 0.56 -0.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.50 2jqy s HIS 270 Cb 0.46 -1.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.59 2jqy s HIS 270 CO 0.03 0.50 0.17 1.52 -0.85 0.00 0.00 174.74 176.12 2jqy s TYR 271 N -1.44 1.73 0.34 1.40 1.13 -1.26 -5.11 117.35 114.13 2jqy s TYR 271 Ca 0.27 -1.40 -0.18 0.00 -1.41 0.00 0.00 57.07 54.35 2jqy s TYR 271 Cb -0.11 -0.96 0.04 0.00 -1.10 0.00 0.00 41.96 39.83 2jqy s TYR 271 CO 0.20 -0.50 0.76 0.00 -2.51 0.00 0.00 175.55 173.50 2jqy s ALA 272 N -3.38 -0.96 0.00 9.51 0.00 -1.26 -4.81 121.76 120.86 2jqy s ALA 272 Ca 0.31 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2jqy s ALA 272 Cb 0.03 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2jqy s ALA 272 CO 0.19 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.35 2jqy n GLY 273 N -0.50 0.36 3.36 0.00 0.00 -1.04 -4.78 105.19 102.59 2jqy n GLY 273 Ca -0.06 -1.23 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 2jqy n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jqy s VAL 274 N 0.00 2.11 0.00 1.61 1.01 -0.90 -2.46 120.40 121.78 2jqy s VAL 274 Ca 0.00 -1.61 0.02 0.00 0.00 0.00 0.00 61.98 60.39 2jqy s VAL 274 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 2jqy s VAL 274 CO 0.00 0.14 -0.07 -0.83 0.00 0.00 0.00 175.10 174.34 2jqy s GLY 275 N -1.80 0.34 0.04 4.51 0.00 0.25 -2.80 107.32 107.87 2jqy s GLY 275 Ca 0.12 -0.34 0.07 0.00 0.00 0.00 0.00 44.72 44.57 2jqy s GLY 275 CO 0.05 -0.31 -0.16 0.14 0.00 0.00 0.00 173.10 172.82 2jqy s VAL 276 N -0.31 2.95 -0.33 1.40 1.01 -0.05 -0.34 120.40 124.73 2jqy s VAL 276 Ca 0.01 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.85 2jqy s VAL 276 Cb -0.03 -2.26 0.14 0.00 0.00 0.00 0.00 36.38 34.23 2jqy s VAL 276 CO -0.00 0.32 0.33 0.21 0.00 0.00 0.00 175.10 175.95 2jqy s ASN 277 N -1.53 1.47 0.09 3.32 3.84 -1.13 -2.66 114.94 118.35 2jqy s ASN 277 Ca 0.16 -1.15 -0.20 0.00 0.21 0.00 0.00 52.86 51.87 2jqy s ASN 277 Cb -0.11 0.51 -0.07 0.00 -0.55 0.00 0.00 41.25 41.04 2jqy s ASN 277 CO 0.06 -0.33 0.60 -0.47 -2.79 0.00 0.00 177.10 174.18 2jqy s TYR 278 N 1.92 3.81 -0.07 0.43 6.14 -0.13 -0.76 117.35 128.69 2jqy s TYR 278 Ca 0.13 1.33 0.04 0.00 0.64 0.00 0.00 57.07 59.20 2jqy s TYR 278 Cb -0.15 -2.54 0.00 0.00 0.42 0.00 0.00 41.96 39.70 2jqy s TYR 278 CO -0.19 0.57 -0.18 -1.54 0.64 0.00 0.00 175.55 174.85 2jqy s SER 279 N -1.15 2.38 0.00 4.32 1.04 -1.03 -1.72 113.70 117.54 2jqy s SER 279 Ca 0.31 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2jqy s SER 279 Cb -0.20 -0.97 0.00 0.00 0.10 0.00 0.00 66.02 64.95 2jqy s SER 279 CO 0.20 0.12 0.09 0.33 0.98 0.00 0.00 173.24 174.96