#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 0.00 -2.19 3.49 5.08 -2.09 -3.46 114.58 115.42 2jqy h GLU 2 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2jqy h GLU 2 Cb 0.00 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 28.90 2jqy h GLU 2 CO 0.00 0.00 -0.93 0.54 -1.00 0.00 0.00 179.01 177.62 2jqy n ARG 3 N -2.43 0.24 -1.71 2.33 1.74 -1.26 -4.91 116.66 110.66 2jqy n ARG 3 Ca -0.00 -3.04 -0.04 0.00 -0.77 0.00 0.00 57.85 53.99 2jqy n ARG 3 Cb 0.01 -1.63 0.02 0.00 -1.02 0.00 0.00 32.46 29.84 2jqy n ARG 3 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jqy n ASN 4 N 2.80 -1.14 -0.36 0.55 3.02 -1.26 -4.53 115.26 114.34 2jqy n ASN 4 Ca 0.28 -2.00 -0.02 0.00 -0.03 0.00 0.00 54.58 52.81 2jqy n ASN 4 Cb 0.49 0.45 0.11 0.00 -0.61 0.00 0.00 39.78 40.22 2jqy n ASN 4 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2jqy h ASP 5 N 0.43 1.10 -4.58 6.41 3.32 -1.91 -3.49 116.42 117.70 2jqy h ASP 5 Ca -0.49 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2jqy h ASP 5 Cb 1.32 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2jqy h ASP 5 CO -0.23 0.79 -0.91 0.79 -1.72 0.00 0.00 179.24 177.95 2jqy n TRP 6 N -4.42 -4.50 -3.99 4.55 8.01 -1.15 -5.01 117.44 110.93 2jqy n TRP 6 Ca 0.12 2.68 -0.31 0.00 -1.31 0.00 0.00 57.50 58.68 2jqy n TRP 6 Cb 0.03 -3.71 -0.16 0.00 -2.01 0.00 0.00 31.31 25.46 2jqy n TRP 6 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 2jqy s HIS 7 N -0.55 2.57 -0.14 -5.99 3.76 -1.08 -4.89 115.29 108.97 2jqy s HIS 7 Ca 0.00 -1.80 -0.12 0.00 -0.15 0.00 0.00 55.06 52.99 2jqy s HIS 7 Cb 0.00 -1.67 -0.05 0.00 1.11 0.00 0.00 32.58 31.97 2jqy s HIS 7 CO 0.00 -0.78 0.26 -0.06 -0.85 0.00 0.00 174.74 173.31 2jqy s PHE 8 N 1.34 3.50 -0.18 1.40 0.08 -1.15 -1.49 117.98 121.48 2jqy s PHE 8 Ca -0.04 0.59 -0.01 0.00 0.12 0.00 0.00 56.93 57.59 2jqy s PHE 8 Cb -0.18 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 2jqy s PHE 8 CO -0.07 0.36 -0.13 1.21 -0.10 0.00 0.00 175.22 176.49 2jqy s ASN 9 N 0.08 3.76 -0.32 1.36 2.47 -1.01 -0.60 114.94 120.67 2jqy s ASN 9 Ca 0.16 -0.48 -0.09 0.00 0.42 0.00 0.00 52.86 52.87 2jqy s ASN 9 Cb -0.13 -1.60 0.01 0.00 -1.45 0.00 0.00 41.25 38.08 2jqy s ASN 9 CO 0.04 0.04 0.14 -0.63 -3.72 0.00 0.00 177.10 172.97 2jqy s ILE 10 N 1.09 4.34 0.14 -5.21 -1.09 0.44 -1.67 121.20 119.24 2jqy s ILE 10 Ca 0.00 -0.65 0.07 0.00 -2.23 0.00 0.00 60.65 57.85 2jqy s ILE 10 Cb -0.14 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 2jqy s ILE 10 CO -0.04 -0.01 -0.16 -0.83 -1.23 0.00 0.00 174.94 172.67 2jqy s GLY 11 N 1.55 1.22 -0.20 6.18 0.00 -0.82 0.84 107.32 116.10 2jqy s GLY 11 Ca 0.03 -1.38 -0.15 0.00 0.00 0.00 0.00 44.72 43.23 2jqy s GLY 11 CO 0.05 -1.43 0.50 0.00 0.00 0.00 0.00 173.10 172.22 2jqy s ALA 12 N -2.05 -1.28 0.03 3.20 0.00 0.84 -2.02 121.76 120.49 2jqy s ALA 12 Ca 0.12 1.59 0.07 0.00 0.00 0.00 0.00 51.96 53.74 2jqy s ALA 12 Cb -0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 2jqy s ALA 12 CO 0.05 -0.27 -0.20 -1.64 0.00 0.00 0.00 175.76 173.70 2jqy s MET 13 N 0.79 1.38 -0.20 0.00 -1.94 -1.04 -0.98 119.30 117.32 2jqy s MET 13 Ca -0.04 -0.89 -0.20 0.00 -1.71 0.00 0.00 55.69 52.86 2jqy s MET 13 Cb -0.05 -1.46 0.05 0.00 2.01 0.00 0.00 34.83 35.38 2jqy s MET 13 CO -0.06 0.38 0.55 -0.47 -0.01 0.00 0.00 175.02 175.41 2jqy s TYR 14 N -0.75 -0.60 -0.20 -0.03 6.14 -1.09 -2.60 117.35 118.23 2jqy s TYR 14 Ca 0.07 1.45 -0.00 0.00 0.64 0.00 0.00 57.07 59.22 2jqy s TYR 14 Cb -0.09 0.21 0.02 0.00 0.42 0.00 0.00 41.96 42.52 2jqy s TYR 14 CO 0.01 -0.31 -0.16 -1.21 0.64 0.00 0.00 175.55 174.53 2jqy s GLU 15 N 0.21 3.02 -0.04 4.97 2.02 -1.26 -2.85 118.70 124.76 2jqy s GLU 15 Ca -0.01 -0.82 -0.10 0.00 0.02 0.00 0.00 54.97 54.05 2jqy s GLU 15 Cb -0.04 -2.70 -0.05 0.00 0.10 0.00 0.00 34.13 31.45 2jqy s GLU 15 CO 0.01 -0.24 0.28 0.42 0.02 0.00 0.00 175.26 175.76 2jqy s ILE 16 N 1.32 5.26 0.00 -1.63 1.09 -1.26 -4.92 121.20 121.06 2jqy s ILE 16 Ca 0.04 0.49 0.00 0.00 -1.10 0.00 0.00 60.65 60.09 2jqy s ILE 16 Cb -0.14 -3.57 0.00 0.00 -1.06 0.00 0.00 42.46 37.70 2jqy s ILE 16 CO -0.10 0.56 0.00 -1.84 -0.10 0.00 0.00 174.94 173.46 2jqy n GLU 17 N 1.77 0.00 -2.31 2.79 0.28 -1.26 -4.48 120.64 117.43 2jqy n GLU 17 Ca -0.16 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.59 2jqy n GLU 17 Cb 0.53 -0.08 0.06 0.00 1.43 0.00 0.00 31.44 33.39 2jqy n GLU 17 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2jqy s ASN 18 N -3.13 4.88 0.22 -1.84 2.47 -1.26 -5.05 114.94 111.22 2jqy s ASN 18 Ca 0.00 0.32 -0.30 0.00 0.42 0.00 0.00 52.86 53.30 2jqy s ASN 18 Cb 0.00 -1.01 -0.09 0.00 -1.45 0.00 0.00 41.25 38.71 2jqy s ASN 18 CO 0.00 -1.52 1.01 -0.69 -3.72 0.00 0.00 177.10 172.18 2jqy s VAL 19 N -3.14 3.95 0.18 -5.21 1.01 -1.26 -5.05 120.40 110.88 2jqy s VAL 19 Ca 0.60 1.86 -0.17 0.00 0.00 0.00 0.00 61.98 64.27 2jqy s VAL 19 Cb -0.10 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.12 2jqy s VAL 19 CO 0.43 0.41 0.49 -0.70 0.00 0.00 0.00 175.10 175.73 2jqy s GLU 20 N -0.97 1.30 0.00 2.72 2.12 -1.26 -5.10 118.70 117.52 2jqy s GLU 20 Ca 0.44 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.94 2jqy s GLU 20 Cb -0.28 0.51 0.00 0.00 0.26 0.00 0.00 34.13 34.62 2jqy s GLU 20 CO 0.34 -0.54 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 2jqy n GLY 21 N -0.32 -1.80 2.73 -1.50 0.00 -1.26 -5.07 105.19 97.98 2jqy n GLY 21 Ca -0.11 0.75 -0.02 0.00 0.00 0.00 0.00 46.02 46.64 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 0.00 -3.84 0.00 1.61 4.01 -1.26 -5.06 117.16 112.62 2jqy n TYR 22 Ca 0.00 1.67 0.00 0.00 -0.16 0.00 0.00 57.90 59.41 2jqy n TYR 22 Cb 0.00 -4.01 0.00 0.00 -0.31 0.00 0.00 39.34 35.02 2jqy n TYR 22 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jqy n GLY 23 N 0.47 0.70 1.42 2.72 0.00 -1.26 -4.92 105.19 104.31 2jqy n GLY 23 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2jqy n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqy n GLU 24 N 0.00 2.03 -3.81 1.61 1.02 -1.26 -5.00 120.64 115.23 2jqy n GLU 24 Ca 0.00 -3.25 -0.05 0.00 -0.02 0.00 0.00 57.16 53.84 2jqy n GLU 24 Cb 0.00 -1.92 -0.02 0.00 -0.02 0.00 0.00 31.44 29.49 2jqy n GLU 24 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jqy s ASP 25 N -2.43 -0.22 0.01 1.62 1.01 -1.26 -5.05 116.67 110.34 2jqy s ASP 25 Ca 0.48 -0.51 0.09 0.00 0.71 0.00 0.00 52.55 53.31 2jqy s ASP 25 Cb 0.42 0.61 -0.23 0.00 1.01 0.00 0.00 42.92 44.73 2jqy s ASP 25 CO 0.01 -1.13 0.85 -0.03 0.21 0.00 0.00 175.17 175.08 2jqy h MET 26 N 2.00 0.04 -6.79 8.23 4.05 -2.01 -3.47 114.93 116.98 2jqy h MET 26 Ca -0.21 -0.06 -0.47 0.00 -0.28 0.00 0.00 59.70 58.67 2jqy h MET 26 Cb 1.24 0.02 0.03 0.00 -0.80 0.00 0.00 31.60 32.09 2jqy h MET 26 CO 0.24 0.73 -0.02 0.34 0.23 0.00 0.00 176.91 178.43 2jqy s ASP 27 N -6.40 5.96 -0.05 1.39 2.15 -1.26 -5.03 116.67 113.44 2jqy s ASP 27 Ca -0.04 0.52 0.11 0.00 0.43 0.00 0.00 52.55 53.56 2jqy s ASP 27 Cb 0.08 -1.80 -0.16 0.00 -0.30 0.00 0.00 42.92 40.75 2jqy s ASP 27 CO 0.82 -0.67 0.17 0.61 -0.17 0.00 0.00 175.17 175.93 2jqy n GLY 28 N -2.15 -0.52 2.51 2.66 0.00 -1.26 -4.94 105.19 101.49 2jqy n GLY 28 Ca 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 2jqy n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jqy n LEU 29 N -2.08 -6.20 0.00 0.99 7.99 -1.26 -4.41 117.00 112.02 2jqy n LEU 29 Ca -0.08 1.87 0.00 0.00 -0.01 0.00 0.00 56.01 57.80 2jqy n LEU 29 Cb 0.51 -3.08 0.00 0.00 -0.11 0.00 0.00 43.42 40.73 2jqy n LEU 29 CO 0.23 -3.45 0.00 0.00 -1.51 0.00 0.00 177.39 172.66 2jqy n ALA 30 N 1.28 0.08 -2.71 -1.18 0.00 -1.19 -2.16 120.51 114.63 2jqy n ALA 30 Ca -0.28 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.09 2jqy n ALA 30 Cb 0.43 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.97 2jqy n ALA 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jqy n GLU 31 N -1.79 0.66 -1.76 0.00 2.13 -1.26 -3.96 120.64 114.66 2jqy n GLU 31 Ca 0.00 -1.47 -0.42 0.00 0.66 0.00 0.00 57.16 55.93 2jqy n GLU 31 Cb 0.00 -0.87 -0.03 0.00 0.27 0.00 0.00 31.44 30.81 2jqy n GLU 31 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2jqy s PRO 32 N 0.32 4.15 -0.34 5.31 0.02 -1.26 -4.69 135.00 138.52 2jqy s PRO 32 Ca 0.25 2.52 -0.05 0.00 0.02 0.00 0.00 61.00 63.75 2jqy s PRO 32 Cb 0.26 -3.76 0.05 0.00 0.02 0.00 0.00 34.50 31.07 2jqy s PRO 32 CO -0.14 -0.85 0.09 -1.12 -0.33 0.00 0.00 177.00 174.65 2jqy s SER 33 N 3.14 5.20 -0.03 2.53 0.01 -1.07 -4.31 113.70 119.16 2jqy s SER 33 Ca 0.81 -1.29 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 2jqy s SER 33 Cb -0.43 -1.82 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 2jqy s SER 33 CO 0.36 -0.34 0.26 -0.69 0.41 0.00 0.00 173.24 173.25 2jqy s VAL 34 N 1.33 5.30 -0.07 3.43 1.01 -1.18 -2.48 120.40 127.74 2jqy s VAL 34 Ca -0.02 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 2jqy s VAL 34 Cb -0.20 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.67 2jqy s VAL 34 CO 0.01 0.49 0.15 -0.31 0.00 0.00 0.00 175.10 175.44 2jqy s TYR 35 N -1.17 -0.16 -0.14 5.22 1.51 -0.85 -2.64 117.35 119.11 2jqy s TYR 35 Ca 0.23 0.49 -0.04 0.00 -1.01 0.00 0.00 57.07 56.74 2jqy s TYR 35 Cb -0.14 -0.12 0.07 0.00 -0.11 0.00 0.00 41.96 41.66 2jqy s TYR 35 CO 0.12 -0.18 0.18 0.12 -1.11 0.00 0.00 175.55 174.67 2jqy s PHE 36 N 1.35 -0.16 0.33 2.71 2.19 0.21 -1.95 117.98 122.66 2jqy s PHE 36 Ca -0.07 0.33 0.07 0.00 0.33 0.00 0.00 56.93 57.59 2jqy s PHE 36 Cb -0.12 -0.36 -0.03 0.00 -1.31 0.00 0.00 43.02 41.20 2jqy s PHE 36 CO -0.06 -0.44 0.27 -0.80 1.83 0.00 0.00 175.22 176.02 2jqy s ASN 37 N 2.29 5.25 -0.28 6.13 -0.87 -0.67 0.50 114.94 127.28 2jqy s ASN 37 Ca 0.04 -0.50 -0.04 0.00 -1.57 0.00 0.00 52.86 50.79 2jqy s ASN 37 Cb -0.14 -0.98 0.15 0.00 -0.02 0.00 0.00 41.25 40.26 2jqy s ASN 37 CO -0.09 -0.32 0.55 0.00 -2.57 0.00 0.00 177.10 174.67 2jqy s ALA 38 N -2.30 -1.87 -0.26 0.60 0.00 0.23 -2.41 121.76 115.74 2jqy s ALA 38 Ca 0.40 1.78 -0.13 0.00 0.00 0.00 0.00 51.96 54.01 2jqy s ALA 38 Cb -0.06 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 2jqy s ALA 38 CO 0.26 -1.15 0.27 0.00 0.00 0.00 0.00 175.76 175.14 2jqy s ALA 39 N 2.79 3.56 -0.41 0.00 0.00 -0.56 -0.49 121.76 126.66 2jqy s ALA 39 Ca 0.10 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2jqy s ALA 39 Cb -0.14 -2.54 0.14 0.00 0.00 0.00 0.00 23.12 20.59 2jqy s ALA 39 CO -0.19 -0.47 0.25 1.21 0.00 0.00 0.00 175.76 176.57 2jqy s ASN 40 N 1.46 3.16 1.69 0.00 2.47 -0.40 -2.62 114.94 120.70 2jqy s ASN 40 Ca 0.11 -2.53 0.00 0.00 0.42 0.00 0.00 52.86 50.86 2jqy s ASN 40 Cb -0.15 -0.72 0.00 0.00 -1.45 0.00 0.00 41.25 38.93 2jqy s ASN 40 CO 0.09 -0.27 0.00 0.61 -3.72 0.00 0.00 177.10 173.81 2jqy n GLY 41 N 3.62 2.99 1.02 1.21 0.00 -1.26 -2.30 105.19 110.47 2jqy n GLY 41 Ca 0.13 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 13.37 2.50 -3.61 1.61 -0.04 -1.26 -4.72 135.00 142.84 2jqy n PRO 42 Ca 0.00 -1.24 -0.25 0.00 -0.04 0.00 0.00 63.50 61.96 2jqy n PRO 42 Cb 0.00 -1.76 -0.17 0.00 -0.04 0.00 0.00 33.50 31.53 2jqy n PRO 42 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 2jqy s TRP 43 N -1.70 0.17 -0.27 0.54 -0.11 -0.97 -4.05 118.94 112.55 2jqy s TRP 43 Ca 0.22 -0.24 -0.00 0.00 1.22 0.00 0.00 56.10 57.29 2jqy s TRP 43 Cb 0.16 -0.66 0.04 0.00 -1.50 0.00 0.00 33.47 31.51 2jqy s TRP 43 CO 0.07 -0.48 -0.05 1.03 -4.62 0.00 0.00 176.95 172.89 2jqy s ARG 44 N 2.15 2.51 0.16 5.86 0.52 -1.13 -1.27 118.95 127.76 2jqy s ARG 44 Ca 0.02 -1.19 -0.09 0.00 -0.52 0.00 0.00 55.73 53.95 2jqy s ARG 44 Cb -0.16 -3.03 -0.06 0.00 0.52 0.00 0.00 34.95 32.22 2jqy s ARG 44 CO -0.09 -0.53 0.47 0.96 0.02 0.00 0.00 175.30 176.14 2jqy s ILE 45 N 1.23 5.02 -0.18 1.52 -4.36 0.36 -1.63 121.20 123.15 2jqy s ILE 45 Ca -0.04 0.40 -0.05 0.00 -0.26 0.00 0.00 60.65 60.70 2jqy s ILE 45 Cb -0.19 -3.64 0.07 0.00 1.25 0.00 0.00 42.46 39.95 2jqy s ILE 45 CO -0.03 0.07 0.12 0.00 0.24 0.00 0.00 174.94 175.34 2jqy s ALA 46 N -1.64 0.30 -0.10 2.27 0.00 -0.08 0.75 121.76 123.24 2jqy s ALA 46 Ca 0.41 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.01 2jqy s ALA 46 Cb -0.12 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 2jqy s ALA 46 CO 0.21 -1.21 0.28 -0.48 0.00 0.00 0.00 175.76 174.57 2jqy s LEU 47 N 2.17 4.35 0.02 0.00 2.34 0.18 -1.24 118.68 126.50 2jqy s LEU 47 Ca 0.03 0.62 0.02 0.00 0.06 0.00 0.00 54.13 54.86 2jqy s LEU 47 Cb -0.16 -2.35 -0.02 0.00 -0.56 0.00 0.00 46.19 43.11 2jqy s LEU 47 CO -0.11 0.25 -0.06 0.00 -1.06 0.00 0.00 176.35 175.36 2jqy s ALA 48 N -0.38 0.46 -0.20 1.48 0.00 0.35 -0.62 121.76 122.86 2jqy s ALA 48 Ca 0.18 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 2jqy s ALA 48 Cb -0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2jqy s ALA 48 CO 0.06 0.01 -0.07 0.71 0.00 0.00 0.00 175.76 176.48 2jqy s TYR 49 N -0.88 2.93 -0.26 0.00 1.51 -1.08 0.13 117.35 119.70 2jqy s TYR 49 Ca -0.06 -0.87 0.01 0.00 -1.01 0.00 0.00 57.07 55.14 2jqy s TYR 49 Cb -0.07 -2.04 0.05 0.00 -0.11 0.00 0.00 41.96 39.80 2jqy s TYR 49 CO 0.00 -0.46 -0.09 -0.47 -1.11 0.00 0.00 175.55 173.41 2jqy s TYR 50 N 1.19 3.21 0.23 2.71 6.14 -0.93 -3.08 117.35 126.82 2jqy s TYR 50 Ca 0.02 -2.11 0.02 0.00 0.64 0.00 0.00 57.07 55.64 2jqy s TYR 50 Cb -0.14 -1.97 -0.05 0.00 0.42 0.00 0.00 41.96 40.21 2jqy s TYR 50 CO -0.02 -0.85 0.04 -0.65 0.64 0.00 0.00 175.55 174.72 2jqy s GLN 51 N 1.17 1.33 0.08 4.97 -0.21 -1.26 -2.68 119.66 123.05 2jqy s GLN 51 Ca -0.06 -1.69 0.01 0.00 0.02 0.00 0.00 55.36 53.64 2jqy s GLN 51 Cb -0.19 -0.39 -0.04 0.00 1.00 0.00 0.00 33.01 33.39 2jqy s GLN 51 CO -0.05 -0.19 -0.06 -2.00 -2.12 0.00 0.00 175.29 170.86 2jqy s GLU 52 N -3.95 0.74 0.00 2.91 2.12 -1.26 -4.50 118.70 114.75 2jqy s GLU 52 Ca 0.32 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.46 2jqy s GLU 52 Cb 0.07 -0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.29 2jqy s GLU 52 CO 0.10 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 2jqy n GLY 53 N 0.31 -1.59 3.65 -1.50 0.00 -1.25 -4.51 105.19 100.29 2jqy n GLY 53 Ca -0.15 0.72 -0.43 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 4.08 -1.02 1.61 0.04 -1.26 -3.19 135.00 135.27 2jqy s PRO 54 Ca 0.00 1.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 2jqy s PRO 54 Cb 0.00 -3.93 0.10 0.00 0.04 0.00 0.00 34.50 30.71 2jqy s PRO 54 CO 0.00 -0.93 0.34 1.33 0.04 0.00 0.00 177.00 177.77 2jqy n VAL 55 N 5.72 -0.28 -1.95 -0.36 0.24 -0.92 -4.78 118.33 116.01 2jqy n VAL 55 Ca 0.17 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.13 2jqy n VAL 55 Cb 0.44 -0.70 -0.04 0.00 -1.47 0.00 0.00 33.84 32.07 2jqy n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2jqy s ASP 56 N -2.62 5.03 0.00 -1.34 2.15 -1.22 -4.86 116.67 113.81 2jqy s ASP 56 Ca 0.40 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.50 2jqy s ASP 56 Cb -0.22 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 2jqy s ASP 56 CO 0.49 -2.65 0.69 -1.22 -0.17 0.00 0.00 175.17 172.31 2jqy n TYR 57 N 13.92 0.00 -3.63 -5.34 4.01 -1.26 -4.97 117.16 119.88 2jqy n TYR 57 Ca 0.30 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.91 2jqy n TYR 57 Cb 0.50 -0.48 -0.06 0.00 -0.31 0.00 0.00 39.34 38.99 2jqy n TYR 57 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2jqy s SER 58 N -2.28 -0.33 0.22 7.72 0.15 -1.26 -5.04 113.70 112.88 2jqy s SER 58 Ca 0.00 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2jqy s SER 58 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2jqy s SER 58 CO 0.00 -0.70 0.00 0.00 1.20 0.00 0.00 173.24 173.74 2jqy n ALA 59 N 0.40 0.00 -0.03 5.45 0.00 -1.26 -4.99 120.51 120.08 2jqy n ALA 59 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 2jqy n ALA 59 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.26 -0.43 2.98 0.00 0.00 -1.26 -5.06 105.19 100.16 2jqy n GLY 60 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.21 -1.43 0.00 1.61 5.02 -1.26 -4.86 118.16 115.03 2jqy n LYS 61 Ca -0.11 1.28 0.00 0.00 -2.02 0.00 0.00 58.31 57.45 2jqy n LYS 61 Cb 0.66 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 30.21 2jqy n LYS 61 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2jqy n ARG 62 N -2.04 0.00 0.00 1.97 0.63 -1.26 -5.14 116.66 110.82 2jqy n ARG 62 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2jqy n ARG 62 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 2jqy n ARG 62 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jqy n GLY 63 N -0.92 4.35 1.63 5.14 0.00 -1.26 -5.14 105.19 108.98 2jqy n GLY 63 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.00 2.61 -2.24 -1.26 -5.00 114.28 108.39 2jqy n THR 64 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jqy n THR 64 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2jqy n THR 64 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2jqy n TRP 65 N -2.22 -1.14 -4.00 4.78 -0.00 -1.26 -4.95 117.44 108.64 2jqy n TRP 65 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.40 2jqy n TRP 65 Cb 0.00 0.23 -0.07 0.00 -0.00 0.00 0.00 31.31 31.46 2jqy n TRP 65 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 177.69 177.63 2jqy s PHE 66 N -1.49 0.50 -0.44 5.87 0.08 -1.26 -4.83 117.98 116.41 2jqy s PHE 66 Ca 0.00 -0.85 0.02 0.00 0.12 0.00 0.00 56.93 56.22 2jqy s PHE 66 Cb 0.00 -0.11 0.13 0.00 -0.57 0.00 0.00 43.02 42.47 2jqy s PHE 66 CO 0.00 -0.73 0.23 0.34 -0.10 0.00 0.00 175.22 174.96 2jqy s ASP 67 N -3.00 3.81 -0.90 1.36 -1.08 -1.23 -4.73 116.67 110.91 2jqy s ASP 67 Ca 0.20 -2.62 -0.04 0.00 -0.52 0.00 0.00 52.55 49.57 2jqy s ASP 67 Cb 0.03 -1.14 0.22 0.00 -1.46 0.00 0.00 42.92 40.58 2jqy s ASP 67 CO 0.02 -0.27 0.80 -0.60 0.52 0.00 0.00 175.17 175.64 2jqy s ARG 68 N 0.33 3.39 0.00 4.34 3.52 -1.09 -3.97 118.95 125.47 2jqy s ARG 68 Ca 0.17 -3.11 0.00 0.00 -0.13 0.00 0.00 55.73 52.66 2jqy s ARG 68 Cb -0.24 -4.08 0.00 0.00 -1.56 0.00 0.00 34.95 29.07 2jqy s ARG 68 CO -0.01 -1.25 0.00 -0.35 -0.81 0.00 0.00 175.30 172.88 2jqy n PRO 69 N 2.67 0.02 -3.65 5.12 -0.04 -1.25 -2.19 135.00 135.69 2jqy n PRO 69 Ca 0.20 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.55 2jqy n PRO 69 Cb 0.38 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.77 2jqy n PRO 69 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2jqy s GLU 70 N -1.91 0.72 -0.23 0.54 2.12 0.12 -4.24 118.70 115.82 2jqy s GLU 70 Ca 0.00 1.07 -0.03 0.00 0.36 0.00 0.00 54.97 56.37 2jqy s GLU 70 Cb 0.00 0.23 0.08 0.00 0.26 0.00 0.00 34.13 34.70 2jqy s GLU 70 CO 0.00 -0.13 0.09 -1.17 -0.54 0.00 0.00 175.26 173.51 2jqy s LEU 71 N 1.08 0.96 0.23 2.70 2.96 0.52 -0.49 118.68 126.63 2jqy s LEU 71 Ca -0.06 -1.03 0.07 0.00 -0.22 0.00 0.00 54.13 52.90 2jqy s LEU 71 Cb -0.05 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 46.12 2jqy s LEU 71 CO -0.11 -0.37 0.13 -1.61 -1.32 0.00 0.00 176.35 173.07 2jqy s GLU 72 N 1.96 2.76 0.04 1.98 2.02 -0.38 0.11 118.70 127.20 2jqy s GLU 72 Ca 0.04 -1.08 -0.02 0.00 0.02 0.00 0.00 54.97 53.94 2jqy s GLU 72 Cb -0.17 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 2jqy s GLU 72 CO -0.19 0.42 -0.01 0.14 0.02 0.00 0.00 175.26 175.64 2jqy s VAL 73 N -2.04 0.18 -0.14 2.63 -7.23 -0.44 -0.90 120.40 112.46 2jqy s VAL 73 Ca 0.32 -1.49 -0.00 0.00 -1.81 0.00 0.00 61.98 59.00 2jqy s VAL 73 Cb -0.08 -1.14 0.03 0.00 0.56 0.00 0.00 36.38 35.75 2jqy s VAL 73 CO 0.23 -0.82 -0.07 -1.00 -0.31 0.00 0.00 175.10 173.13 2jqy s HIS 74 N -3.18 1.68 -0.27 2.82 3.76 -0.65 -2.34 115.29 117.12 2jqy s HIS 74 Ca 0.00 -0.98 0.00 0.00 -0.15 0.00 0.00 55.06 53.94 2jqy s HIS 74 Cb 0.03 -1.32 0.08 0.00 1.11 0.00 0.00 32.58 32.47 2jqy s HIS 74 CO -0.07 -0.59 0.02 -0.47 -0.85 0.00 0.00 174.74 172.78 2jqy s TYR 75 N 1.64 2.27 -0.36 1.40 5.04 -1.10 -2.82 117.35 123.43 2jqy s TYR 75 Ca 0.03 -1.87 -0.09 0.00 -2.44 0.00 0.00 57.07 52.70 2jqy s TYR 75 Cb -0.14 -1.80 0.04 0.00 0.35 0.00 0.00 41.96 40.41 2jqy s TYR 75 CO -0.08 -0.82 0.17 -0.65 -1.34 0.00 0.00 175.55 172.83 2jqy s GLN 76 N 1.43 2.72 0.10 4.97 -0.21 -1.26 -1.24 119.66 126.17 2jqy s GLN 76 Ca 0.03 -1.15 -0.08 0.00 0.02 0.00 0.00 55.36 54.18 2jqy s GLN 76 Cb -0.18 -3.62 -0.18 0.00 1.00 0.00 0.00 33.01 30.03 2jqy s GLN 76 CO -0.13 -0.71 1.23 0.35 -2.12 0.00 0.00 175.29 173.92 2jqy h PHE 77 N 8.34 0.74 -3.65 0.91 3.04 -1.51 -3.45 116.94 121.36 2jqy h PHE 77 Ca -0.24 -0.43 -0.53 0.00 3.98 0.00 0.00 57.97 60.74 2jqy h PHE 77 Cb 1.09 -0.07 -0.32 0.00 2.56 0.00 0.00 35.95 39.21 2jqy h PHE 77 CO 0.58 1.27 -0.82 -1.17 -2.02 0.00 0.00 178.31 176.15 2jqy s LEU 78 N -7.73 1.80 -0.20 0.59 0.20 -1.06 -4.98 118.68 107.31 2jqy s LEU 78 Ca -0.07 -0.32 -0.01 0.00 0.69 0.00 0.00 54.13 54.42 2jqy s LEU 78 Cb 0.08 -0.89 0.05 0.00 -0.43 0.00 0.00 46.19 45.00 2jqy s LEU 78 CO 0.89 0.09 -0.02 -1.61 -0.29 0.00 0.00 176.35 175.41 2jqy s GLU 79 N 0.34 1.23 0.22 1.98 2.02 -1.26 -0.83 118.70 122.40 2jqy s GLU 79 Ca -0.09 -0.63 -0.23 0.00 0.02 0.00 0.00 54.97 54.04 2jqy s GLU 79 Cb -0.13 -2.22 0.04 0.00 0.10 0.00 0.00 34.13 31.92 2jqy s GLU 79 CO 0.03 -0.55 0.78 1.21 0.02 0.00 0.00 175.26 176.75 2jqy s ASN 80 N 1.63 -0.27 -0.09 -0.19 2.47 -1.26 -5.01 114.94 112.22 2jqy s ASN 80 Ca -0.02 -0.47 0.13 0.00 0.42 0.00 0.00 52.86 52.92 2jqy s ASN 80 Cb -0.17 0.64 0.53 0.00 -1.45 0.00 0.00 41.25 40.80 2jqy s ASN 80 CO -0.07 -1.16 1.39 0.47 -3.72 0.00 0.00 177.10 174.00 2jqy n ASP 81 N -0.45 3.64 -0.01 -4.21 8.00 -1.26 -4.02 116.55 118.24 2jqy n ASP 81 Ca -0.06 -2.35 -0.01 0.00 0.71 0.00 0.00 54.79 53.08 2jqy n ASP 81 Cb 0.60 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 2jqy n ASP 81 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2jqy n ASP 82 N 0.72 2.73 -3.20 -2.24 8.00 -1.26 -4.00 116.55 117.30 2jqy n ASP 82 Ca 0.19 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.70 2jqy n ASP 82 Cb 0.70 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.76 2jqy n ASP 82 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2jqy s PHE 83 N -2.02 -1.70 0.30 1.24 2.19 -1.23 -3.85 117.98 112.92 2jqy s PHE 83 Ca -0.02 0.43 -0.14 0.00 0.33 0.00 0.00 56.93 57.53 2jqy s PHE 83 Cb 0.00 0.28 -0.09 0.00 -1.31 0.00 0.00 43.02 41.91 2jqy s PHE 83 CO 0.03 -1.14 0.69 0.45 1.83 0.00 0.00 175.22 177.07 2jqy s SER 84 N 2.10 6.73 -0.27 6.13 0.15 0.15 -4.54 113.70 124.15 2jqy s SER 84 Ca 0.14 1.19 -0.01 0.00 0.70 0.00 0.00 55.95 57.98 2jqy s SER 84 Cb -0.06 -2.34 0.08 0.00 -1.71 0.00 0.00 66.02 62.00 2jqy s SER 84 CO -0.12 -0.18 0.05 0.12 1.20 0.00 0.00 173.24 174.31 2jqy s PHE 85 N -1.95 1.87 0.51 3.44 2.19 -0.01 -2.84 117.98 121.18 2jqy s PHE 85 Ca 0.53 -1.66 0.04 0.00 0.33 0.00 0.00 56.93 56.16 2jqy s PHE 85 Cb -0.10 -1.65 0.00 0.00 -1.31 0.00 0.00 43.02 39.97 2jqy s PHE 85 CO 0.18 -0.81 0.19 0.20 1.83 0.00 0.00 175.22 176.81 2jqy s GLY 86 N 1.57 2.68 -0.29 13.12 0.00 0.32 -1.21 107.32 123.51 2jqy s GLY 86 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2jqy s GLY 86 CO -0.17 -2.06 0.55 1.08 0.00 0.00 0.00 173.10 172.50 2jqy s LEU 87 N -4.05 -1.27 0.57 0.66 1.43 -0.37 -1.37 118.68 114.28 2jqy s LEU 87 Ca 0.21 0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 53.74 2jqy s LEU 87 Cb 0.00 1.91 -0.05 0.00 0.03 0.00 0.00 46.19 48.08 2jqy s LEU 87 CO 0.13 -0.28 1.03 -0.89 0.23 0.00 0.00 176.35 176.56 2jqy s THR 88 N 2.78 4.18 -0.46 5.49 2.01 0.13 -2.70 115.64 127.09 2jqy s THR 88 Ca 0.17 0.99 0.05 0.00 0.31 0.00 0.00 61.69 63.22 2jqy s THR 88 Cb -0.14 -3.55 0.18 0.00 0.01 0.00 0.00 72.50 69.00 2jqy s THR 88 CO -0.21 -0.65 0.52 0.61 -0.69 0.00 0.00 174.62 174.19 2jqy n GLY 89 N -1.42 0.98 3.72 4.40 0.00 -0.99 -2.83 105.19 109.05 2jqy n GLY 89 Ca 0.08 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 2jqy n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jqy s GLY 90 N 0.32 2.43 -0.18 -0.02 0.00 0.31 -1.33 107.32 108.86 2jqy s GLY 90 Ca 0.32 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.92 2jqy s GLY 90 CO -0.14 0.85 -0.20 -1.36 0.00 0.00 0.00 173.10 172.25 2jqy s PHE 91 N 0.66 2.77 -0.01 1.90 0.40 0.30 -1.06 117.98 122.94 2jqy s PHE 91 Ca 0.28 -1.64 0.05 0.00 -0.60 0.00 0.00 56.93 55.02 2jqy s PHE 91 Cb -0.16 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 2jqy s PHE 91 CO 0.12 -0.80 -0.16 0.50 0.70 0.00 0.00 175.22 175.57 2jqy s ARG 92 N 1.28 1.29 -0.06 0.44 3.52 -1.16 -0.36 118.95 123.91 2jqy s ARG 92 Ca 0.05 -0.56 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 2jqy s ARG 92 Cb -0.13 -1.24 0.02 0.00 -1.56 0.00 0.00 34.95 32.03 2jqy s ARG 92 CO -0.13 0.34 -0.09 -0.80 -0.81 0.00 0.00 175.30 173.81 2jqy s ASN 93 N -0.36 1.44 -0.15 -2.12 -0.87 -1.26 -1.51 114.94 110.10 2jqy s ASN 93 Ca 0.06 -0.23 -0.02 0.00 -1.57 0.00 0.00 52.86 51.10 2jqy s ASN 93 Cb -0.06 -0.67 -0.02 0.00 -0.02 0.00 0.00 41.25 40.48 2jqy s ASN 93 CO -0.01 -0.01 -0.09 -0.47 -2.57 0.00 0.00 177.10 173.96 2jqy s TYR 94 N 0.80 2.90 0.00 2.20 5.04 -1.05 -3.79 117.35 123.45 2jqy s TYR 94 Ca -0.13 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 53.91 2jqy s TYR 94 Cb -0.15 -1.92 0.00 0.00 0.35 0.00 0.00 41.96 40.23 2jqy s TYR 94 CO 0.02 -0.22 0.00 0.41 -1.34 0.00 0.00 175.55 174.42 2jqy n GLY 95 N 3.76 2.65 0.00 8.97 0.00 -1.25 -0.50 105.19 118.81 2jqy n GLY 95 Ca -0.18 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2jqy n GLY 95 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2jqy n TYR 96 N -1.77 0.00 -1.68 1.61 9.36 0.62 -3.52 117.16 121.77 2jqy n TYR 96 Ca 0.00 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.93 2jqy n TYR 96 Cb 0.00 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 38.76 2jqy n TYR 96 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 2jqy n HIS 97 N -0.00 2.96 -0.57 2.98 1.44 -1.26 -2.07 115.22 118.70 2jqy n HIS 97 Ca 0.00 -2.61 -0.30 0.00 -2.01 0.00 0.00 57.72 52.81 2jqy n HIS 97 Cb 0.00 -0.88 0.22 0.00 0.12 0.00 0.00 29.99 29.44 2jqy n HIS 97 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 2jqy n TYR 98 N -0.82 -0.62 -3.00 -1.40 9.36 -1.26 -4.90 117.16 114.53 2jqy n TYR 98 Ca 0.53 0.07 -0.44 0.00 3.32 0.00 0.00 57.90 61.38 2jqy n TYR 98 Cb 0.82 -1.79 -0.04 0.00 -0.63 0.00 0.00 39.34 37.70 2jqy n TYR 98 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2jqy s VAL 99 N -2.46 4.60 -0.30 2.97 1.01 -1.26 -4.47 120.40 120.48 2jqy s VAL 99 Ca 0.66 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 2jqy s VAL 99 Cb -0.23 -4.56 0.19 0.00 0.00 0.00 0.00 36.38 31.78 2jqy s VAL 99 CO 0.63 -1.24 1.14 -0.62 0.00 0.00 0.00 175.10 175.01 2jqy s ASP 100 N 3.55 -0.06 0.05 3.32 -1.08 -1.26 -4.89 116.67 116.29 2jqy s ASP 100 Ca 0.17 -0.03 -0.33 0.00 -0.52 0.00 0.00 52.55 51.84 2jqy s ASP 100 Cb -0.20 0.14 -0.18 0.00 -1.46 0.00 0.00 42.92 41.22 2jqy s ASP 100 CO 0.09 -0.01 1.46 -0.33 0.52 0.00 0.00 175.17 176.90 2jqy h GLU 101 N 5.21 -1.14 0.00 4.34 5.08 -1.89 -1.42 114.58 124.76 2jqy h GLU 101 Ca -0.06 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2jqy h GLU 101 Cb 1.24 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.75 2jqy h GLU 101 CO -0.11 -0.76 0.00 -1.00 -1.00 0.00 0.00 179.01 176.14 2jqy h PRO 102 N -1.20 0.00 -0.66 2.33 0.13 -2.02 -2.86 132.00 127.71 2jqy h PRO 102 Ca -0.12 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.57 2jqy h PRO 102 Cb 0.90 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.76 2jqy h PRO 102 CO 0.20 0.00 -0.15 0.41 -0.23 0.00 0.00 178.00 178.23 2jqy n GLY 103 N -0.35 5.71 1.94 1.56 0.00 -1.11 -5.04 105.19 107.90 2jqy n GLY 103 Ca -0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2jqy n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jqy n LYS 104 N -0.92 -5.18 -0.46 1.61 5.02 -0.60 -4.85 118.16 112.79 2jqy n LYS 104 Ca 0.44 3.70 0.05 0.00 -2.02 0.00 0.00 58.31 60.49 2jqy n LYS 104 Cb 0.93 -3.94 0.08 0.00 -0.02 0.00 0.00 35.03 32.09 2jqy n LYS 104 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2jqy n ASP 105 N 1.75 1.24 -3.61 4.39 5.68 -0.79 -4.43 116.55 120.78 2jqy n ASP 105 Ca 0.00 -2.66 -0.03 0.00 -0.50 0.00 0.00 54.79 51.61 2jqy n ASP 105 Cb 0.00 -0.34 -0.05 0.00 -1.14 0.00 0.00 41.12 39.58 2jqy n ASP 105 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2jqy s THR 106 N -1.52 -0.42 -0.26 2.12 -4.23 -1.18 -4.03 115.64 106.13 2jqy s THR 106 Ca 0.21 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.46 2jqy s THR 106 Cb 0.20 -1.00 0.13 0.00 1.34 0.00 0.00 72.50 73.17 2jqy s THR 106 CO -0.02 0.00 1.06 0.00 -0.54 0.00 0.00 174.62 175.12 2jqy s ALA 107 N 2.15 -1.98 -0.29 3.99 0.00 -0.88 -4.84 121.76 119.91 2jqy s ALA 107 Ca -0.07 1.81 0.04 0.00 0.00 0.00 0.00 51.96 53.74 2jqy s ALA 107 Cb -0.07 -1.34 0.18 0.00 0.00 0.00 0.00 23.12 21.89 2jqy s ALA 107 CO -0.18 -0.24 0.51 -0.80 0.00 0.00 0.00 175.76 175.05 2jqy s ASN 108 N -0.02 -0.75 0.24 0.00 0.01 -1.23 -0.28 114.94 112.91 2jqy s ASN 108 Ca 0.03 -0.07 0.11 0.00 -0.71 0.00 0.00 52.86 52.21 2jqy s ASN 108 Cb -0.04 1.63 -0.05 0.00 0.41 0.00 0.00 41.25 43.20 2jqy s ASN 108 CO -0.06 -0.32 -0.13 -0.32 -1.51 0.00 0.00 177.10 174.76 2jqy s MET 109 N 2.70 1.90 0.01 -0.60 1.75 0.35 -1.56 119.30 123.84 2jqy s MET 109 Ca 0.10 -1.51 0.03 0.00 -1.25 0.00 0.00 55.69 53.05 2jqy s MET 109 Cb -0.11 -1.98 -0.01 0.00 2.84 0.00 0.00 34.83 35.57 2jqy s MET 109 CO -0.28 0.38 -0.09 -1.14 -0.65 0.00 0.00 175.02 173.24 2jqy s GLN 110 N -3.24 0.68 -0.08 4.11 0.74 -0.31 -2.52 119.66 119.04 2jqy s GLN 110 Ca 0.27 -0.47 -0.03 0.00 0.05 0.00 0.00 55.36 55.19 2jqy s GLN 110 Cb -0.07 -0.63 0.04 0.00 1.10 0.00 0.00 33.01 33.45 2jqy s GLN 110 CO 0.15 0.16 0.07 0.50 -0.55 0.00 0.00 175.29 175.62 2jqy s ARG 111 N -0.64 -0.03 -0.08 1.67 3.52 -0.57 -0.60 118.95 122.22 2jqy s ARG 111 Ca 0.00 0.23 -0.22 0.00 -0.13 0.00 0.00 55.73 55.61 2jqy s ARG 111 Cb -0.05 -0.95 -0.04 0.00 -1.56 0.00 0.00 34.95 32.35 2jqy s ARG 111 CO 0.00 -0.44 0.63 -1.58 -0.81 0.00 0.00 175.30 173.10 2jqy s TRP 112 N 2.16 3.56 -0.23 5.12 0.51 -0.45 -2.98 118.94 126.63 2jqy s TRP 112 Ca 0.04 1.15 -0.01 0.00 -2.12 0.00 0.00 56.10 55.16 2jqy s TRP 112 Cb -0.13 -2.73 0.07 0.00 -0.81 0.00 0.00 33.47 29.87 2jqy s TRP 112 CO -0.05 0.12 0.01 0.21 -0.51 0.00 0.00 176.95 176.73 2jqy s LYS 113 N 0.71 1.10 0.09 4.98 2.36 -0.23 -1.73 119.74 127.02 2jqy s LYS 113 Ca 0.34 -0.81 0.10 0.00 -2.55 0.00 0.00 55.97 53.04 2jqy s LYS 113 Cb -0.17 -2.34 -0.03 0.00 -1.05 0.00 0.00 37.83 34.24 2jqy s LYS 113 CO 0.16 -0.69 -0.26 0.96 1.55 0.00 0.00 175.35 177.07 2jqy s ILE 114 N 1.59 2.13 -0.25 5.43 -5.25 -1.08 0.11 121.20 123.88 2jqy s ILE 114 Ca -0.01 -1.56 -0.02 0.00 -0.99 0.00 0.00 60.65 58.07 2jqy s ILE 114 Cb -0.18 -1.86 0.13 0.00 2.95 0.00 0.00 42.46 43.51 2jqy s ILE 114 CO -0.10 0.20 0.37 0.00 -1.79 0.00 0.00 174.94 173.61 2jqy s ALA 115 N -0.95 -1.01 -0.75 2.27 0.00 -1.13 -1.88 121.76 118.31 2jqy s ALA 115 Ca 0.12 0.68 -0.26 0.00 0.00 0.00 0.00 51.96 52.50 2jqy s ALA 115 Cb -0.10 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 2jqy s ALA 115 CO 0.04 -1.36 2.02 -1.25 0.00 0.00 0.00 175.76 175.20 2jqy s PRO 116 N 2.52 2.42 -0.44 0.00 0.04 -1.26 0.22 135.00 138.50 2jqy s PRO 116 Ca 0.12 0.27 -0.27 0.00 0.04 0.00 0.00 61.00 61.16 2jqy s PRO 116 Cb -0.15 -4.76 -0.07 0.00 0.04 0.00 0.00 34.50 29.57 2jqy s PRO 116 CO -0.19 -3.29 2.38 -3.47 0.04 0.00 0.00 177.00 172.48 2jqy n ASP 117 N 14.33 2.49 -4.45 6.66 2.03 -0.47 -4.62 116.55 132.51 2jqy n ASP 117 Ca 0.34 -0.33 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 2jqy n ASP 117 Cb 0.49 -1.57 -0.12 0.00 -0.72 0.00 0.00 41.12 39.20 2jqy n ASP 117 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2jqy s TRP 118 N 11.28 3.07 -0.10 -0.67 0.51 -1.09 0.12 118.94 132.05 2jqy s TRP 118 Ca 1.00 -0.43 0.01 0.00 -2.12 0.00 0.00 56.10 54.55 2jqy s TRP 118 Cb -0.24 -2.14 0.02 0.00 -0.81 0.00 0.00 33.47 30.30 2jqy s TRP 118 CO 0.29 -0.27 -0.10 0.34 -0.51 0.00 0.00 176.95 176.69 2jqy s ASP 119 N 1.22 2.14 -0.22 2.95 -1.08 -1.13 0.47 116.67 121.01 2jqy s ASP 119 Ca 0.04 -0.33 -0.04 0.00 -0.52 0.00 0.00 52.55 51.70 2jqy s ASP 119 Cb -0.14 -0.89 0.08 0.00 -1.46 0.00 0.00 42.92 40.51 2jqy s ASP 119 CO 0.02 -0.06 0.15 0.54 0.52 0.00 0.00 175.17 176.34 2jqy s VAL 120 N 1.34 -0.16 0.17 1.11 0.11 0.36 0.32 120.40 123.65 2jqy s VAL 120 Ca -0.01 -0.33 0.09 0.00 -2.93 0.00 0.00 61.98 58.80 2jqy s VAL 120 Cb -0.14 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 2jqy s VAL 120 CO -0.05 -0.39 -0.20 -1.59 -3.33 0.00 0.00 175.10 169.54 2jqy s LYS 121 N 2.19 1.33 0.00 1.54 -2.85 -1.25 -1.35 119.74 119.35 2jqy s LYS 121 Ca 0.05 -1.42 0.29 0.00 -1.00 0.00 0.00 55.97 53.89 2jqy s LYS 121 Cb -0.16 -1.49 1.56 0.00 -2.06 0.00 0.00 37.83 35.69 2jqy s LYS 121 CO -0.19 0.31 2.04 1.28 0.10 0.00 0.00 175.35 178.90 2jqy n LEU 122 N 0.34 0.00 -2.18 2.77 4.77 -0.20 -4.45 117.00 118.05 2jqy n LEU 122 Ca -0.13 0.21 -0.18 0.00 -0.03 0.00 0.00 56.01 55.87 2jqy n LEU 122 Cb 0.56 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 2jqy n LEU 122 CO 0.29 -0.01 -0.14 0.41 -1.33 0.00 0.00 177.39 176.61 2jqy n THR 123 N -1.21 -1.14 0.00 -5.08 -1.04 -1.26 -4.83 114.28 99.72 2jqy n THR 123 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 2jqy n THR 123 Cb 0.19 -2.75 0.00 0.00 -1.82 0.00 0.00 70.33 65.96 2jqy n THR 123 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2jqy n ASP 124 N -1.48 0.00 -0.82 8.00 2.03 -1.26 -5.02 116.55 118.00 2jqy n ASP 124 Ca -0.16 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.13 2jqy n ASP 124 Cb 0.64 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.02 2jqy n ASP 124 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2jqy n ASP 125 N -1.92 -0.12 -3.50 1.67 9.92 -1.26 -5.01 116.55 116.32 2jqy n ASP 125 Ca 0.00 -1.66 -0.25 0.00 -0.53 0.00 0.00 54.79 52.35 2jqy n ASP 125 Cb 0.00 -0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 2jqy n ASP 125 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2jqy s LEU 126 N 0.00 0.30 -0.18 0.64 0.20 -1.26 -3.71 118.68 114.68 2jqy s LEU 126 Ca 0.06 -1.10 -0.06 0.00 0.69 0.00 0.00 54.13 53.72 2jqy s LEU 126 Cb 0.07 -0.09 -0.03 0.00 -0.43 0.00 0.00 46.19 45.70 2jqy s LEU 126 CO -0.03 -0.42 0.01 -0.13 -0.29 0.00 0.00 176.35 175.49 2jqy s ARG 127 N 2.18 3.78 -0.11 1.98 1.81 -0.21 -1.04 118.95 127.34 2jqy s ARG 127 Ca 0.09 -0.45 0.02 0.00 -1.72 0.00 0.00 55.73 53.67 2jqy s ARG 127 Cb -0.15 -3.08 -0.01 0.00 -0.45 0.00 0.00 34.95 31.25 2jqy s ARG 127 CO -0.35 0.18 -0.19 0.12 -0.68 0.00 0.00 175.30 174.39 2jqy s PHE 128 N 0.56 2.67 -0.08 -0.53 2.19 -0.46 -0.43 117.98 121.90 2jqy s PHE 128 Ca 0.00 -0.81 0.01 0.00 0.33 0.00 0.00 56.93 56.47 2jqy s PHE 128 Cb -0.14 -1.76 0.02 0.00 -1.31 0.00 0.00 43.02 39.83 2jqy s PHE 128 CO 0.02 -0.29 -0.11 1.21 1.83 0.00 0.00 175.22 177.88 2jqy s ASN 129 N 0.27 1.95 -0.16 6.13 2.47 -1.01 -0.49 114.94 124.09 2jqy s ASN 129 Ca -0.13 -0.31 -0.05 0.00 0.42 0.00 0.00 52.86 52.78 2jqy s ASN 129 Cb -0.16 -0.85 -0.03 0.00 -1.45 0.00 0.00 41.25 38.75 2jqy s ASN 129 CO 0.07 -0.01 0.01 -0.83 -3.72 0.00 0.00 177.10 172.62 2jqy s GLY 130 N 1.00 1.82 -0.08 1.21 0.00 0.18 -2.47 107.32 108.97 2jqy s GLY 130 Ca -0.08 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 43.89 2jqy s GLY 130 CO -0.00 -0.06 -0.16 -0.98 0.00 0.00 0.00 173.10 171.90 2jqy s TRP 131 N 0.25 1.86 -0.29 1.90 0.52 -0.75 -2.66 118.94 119.76 2jqy s TRP 131 Ca 0.01 -0.75 0.00 0.00 0.02 0.00 0.00 56.10 55.38 2jqy s TRP 131 Cb -0.13 -1.32 0.09 0.00 -1.15 0.00 0.00 33.47 30.96 2jqy s TRP 131 CO 0.02 -0.35 0.06 -0.51 0.02 0.00 0.00 176.95 176.18 2jqy s LEU 132 N 0.63 2.71 -0.40 2.99 1.02 -1.26 0.83 118.68 125.21 2jqy s LEU 132 Ca -0.14 -1.61 -0.25 0.00 0.02 0.00 0.00 54.13 52.15 2jqy s LEU 132 Cb -0.16 -1.04 0.02 0.00 0.02 0.00 0.00 46.19 45.02 2jqy s LEU 132 CO 0.04 -0.37 0.91 -0.94 0.02 0.00 0.00 176.35 176.02 2jqy s SER 133 N 1.46 6.61 -0.26 2.29 1.04 0.03 -3.95 113.70 120.92 2jqy s SER 133 Ca 0.07 0.43 -0.05 0.00 0.48 0.00 0.00 55.95 56.88 2jqy s SER 133 Cb -0.18 -2.45 0.01 0.00 0.10 0.00 0.00 66.02 63.49 2jqy s SER 133 CO -0.17 -0.91 0.00 -0.32 0.98 0.00 0.00 173.24 172.82 2jqy s MET 134 N 3.53 3.16 -0.03 4.02 1.75 -0.79 -1.54 119.30 129.41 2jqy s MET 134 Ca 0.37 -0.79 -0.00 0.00 -1.25 0.00 0.00 55.69 54.02 2jqy s MET 134 Cb -0.11 -3.15 -0.04 0.00 2.84 0.00 0.00 34.83 34.37 2jqy s MET 134 CO 0.21 -0.34 0.04 0.71 -0.65 0.00 0.00 175.02 175.00 2jqy s TYR 135 N 1.46 3.21 -0.30 4.11 2.02 -0.60 -2.63 117.35 124.61 2jqy s TYR 135 Ca 0.03 0.18 -0.00 0.00 -0.37 0.00 0.00 57.07 56.91 2jqy s TYR 135 Cb -0.16 -1.74 0.14 0.00 -0.40 0.00 0.00 41.96 39.80 2jqy s TYR 135 CO -0.01 0.52 0.29 0.21 -1.57 0.00 0.00 175.55 174.99 2jqy s LYS 136 N -1.48 0.35 0.36 -0.62 2.36 -0.71 -2.81 119.74 117.20 2jqy s LYS 136 Ca 0.19 -0.25 -0.25 0.00 -2.55 0.00 0.00 55.97 53.12 2jqy s LYS 136 Cb -0.12 -0.70 -0.10 0.00 -1.05 0.00 0.00 37.83 35.86 2jqy s LYS 136 CO 0.10 -1.05 0.98 -0.06 1.55 0.00 0.00 175.35 176.87 2jqy s PHE 137 N 2.24 3.51 0.24 4.03 0.08 -1.26 -1.34 117.98 125.48 2jqy s PHE 137 Ca 0.10 1.72 -0.22 0.00 0.12 0.00 0.00 56.93 58.65 2jqy s PHE 137 Cb -0.14 -2.98 0.03 0.00 -0.57 0.00 0.00 43.02 39.36 2jqy s PHE 137 CO -0.30 -0.10 0.80 0.00 -0.10 0.00 0.00 175.22 175.52 2jqy s ALA 138 N -1.69 -1.35 0.33 5.36 0.00 0.23 -4.69 121.76 119.95 2jqy s ALA 138 Ca 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2jqy s ALA 138 Cb -0.19 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.72 2jqy s ALA 138 CO 0.24 -1.04 0.00 0.09 0.00 0.00 0.00 175.76 175.05 2jqy n ASN 139 N -0.48 -7.97 0.00 0.00 3.02 -0.70 -1.16 115.26 107.97 2jqy n ASN 139 Ca -0.05 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 2jqy n ASN 139 Cb 0.60 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 2jqy n ASN 139 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2jqy n ASP 140 N -4.03 0.00 0.00 6.41 2.03 -0.60 -2.41 116.55 117.94 2jqy n ASP 140 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jqy n ASP 140 Cb 0.61 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 2jqy n ASP 140 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jqy n LEU 141 N 0.00 2.65 -4.59 -2.67 4.77 -1.26 -4.98 117.00 110.92 2jqy n LEU 141 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 2jqy n LEU 141 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2jqy n LEU 141 CO 0.00 0.44 1.17 0.20 -1.33 0.00 0.00 177.39 177.87 2jqy s ASN 142 N -3.97 6.38 0.07 -1.43 0.01 -1.01 -4.91 114.94 110.08 2jqy s ASN 142 Ca 0.00 0.53 -0.26 0.00 -0.71 0.00 0.00 52.86 52.42 2jqy s ASN 142 Cb 0.00 -2.55 -0.17 0.00 0.41 0.00 0.00 41.25 38.95 2jqy s ASN 142 CO 0.00 -1.45 1.63 0.74 -1.51 0.00 0.00 177.10 176.50 2jqy h THR 143 N 6.35 0.83 0.00 1.60 2.02 -1.94 -1.87 112.91 119.90 2jqy h THR 143 Ca -0.26 -0.14 -0.23 0.00 0.77 0.00 0.00 66.41 66.55 2jqy h THR 143 Cb 1.08 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 2jqy h THR 143 CO 1.13 0.03 -1.88 0.41 0.37 0.00 0.00 175.52 175.58 2jqy n THR 144 N -5.18 0.88 -2.46 3.16 -1.04 -1.26 -4.75 114.28 103.63 2jqy n THR 144 Ca -0.09 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.30 2jqy n THR 144 Cb 0.16 -0.75 0.01 0.00 -1.82 0.00 0.00 70.33 67.92 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 2.33 -0.08 3.89 3.41 0.00 -1.26 -4.93 105.19 108.55 2jqy n GLY 145 Ca -0.22 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 2jqy n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jqy s TYR 146 N -2.75 3.55 0.46 1.61 1.51 -1.26 -4.88 117.35 115.58 2jqy s TYR 146 Ca 0.08 0.94 0.00 0.00 -1.01 0.00 0.00 57.07 57.09 2jqy s TYR 146 Cb -0.04 -2.40 0.00 0.00 -0.11 0.00 0.00 41.96 39.41 2jqy s TYR 146 CO 0.11 -0.30 0.00 0.00 -1.11 0.00 0.00 175.55 174.25 2jqy n ALA 147 N -2.10 -3.78 -2.86 3.71 0.00 -1.26 -4.97 120.51 109.25 2jqy n ALA 147 Ca 0.02 0.66 -0.07 0.00 0.00 0.00 0.00 53.44 54.05 2jqy n ALA 147 Cb 0.55 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 -4.31 -7.87 -4.51 0.00 9.92 -1.26 -5.02 116.55 103.50 2jqy n ASP 148 Ca -0.03 0.44 -0.33 0.00 -0.53 0.00 0.00 54.79 54.34 2jqy n ASP 148 Cb 0.67 -5.34 -0.12 0.00 -0.64 0.00 0.00 41.12 35.69 2jqy n ASP 148 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2jqy s THR 149 N -2.65 3.46 -0.15 -3.53 -4.23 -1.26 -4.86 115.64 102.42 2jqy s THR 149 Ca 0.21 -0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 60.05 2jqy s THR 149 Cb -0.06 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 2jqy s THR 149 CO 0.76 0.57 0.21 -0.60 -0.54 0.00 0.00 174.62 175.02 2jqy s ARG 150 N -0.47 4.00 -0.10 3.99 3.52 -1.12 -4.57 118.95 124.20 2jqy s ARG 150 Ca 0.07 -0.03 -0.05 0.00 -0.13 0.00 0.00 55.73 55.58 2jqy s ARG 150 Cb -0.12 -3.35 0.05 0.00 -1.56 0.00 0.00 34.95 29.97 2jqy s ARG 150 CO 0.02 0.43 0.23 0.54 -0.81 0.00 0.00 175.30 175.71 2jqy s VAL 151 N -0.08 -0.05 -0.12 7.11 0.11 -1.25 -1.56 120.40 124.56 2jqy s VAL 151 Ca 0.14 0.16 -0.02 0.00 -2.93 0.00 0.00 61.98 59.32 2jqy s VAL 151 Cb -0.12 -0.36 0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2jqy s VAL 151 CO 0.03 0.06 0.03 -1.61 -3.33 0.00 0.00 175.10 170.28 2jqy s GLU 152 N 1.27 0.51 -0.08 1.54 2.02 -0.59 -2.84 118.70 120.54 2jqy s GLU 152 Ca -0.09 -0.05 -0.12 0.00 0.02 0.00 0.00 54.97 54.73 2jqy s GLU 152 Cb -0.11 -1.37 -0.05 0.00 0.10 0.00 0.00 34.13 32.71 2jqy s GLU 152 CO -0.08 -0.44 0.28 0.99 0.02 0.00 0.00 175.26 176.03 2jqy s THR 153 N 1.97 5.27 -0.24 3.63 2.01 -1.16 -0.79 115.64 126.33 2jqy s THR 153 Ca 0.03 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 62.56 2jqy s THR 153 Cb -0.14 -3.58 0.07 0.00 0.01 0.00 0.00 72.50 68.86 2jqy s THR 153 CO -0.06 0.55 0.01 -1.61 -0.69 0.00 0.00 174.62 172.82 2jqy s GLU 154 N -0.73 1.10 -0.48 4.92 2.02 0.24 -1.86 118.70 123.91 2jqy s GLU 154 Ca 0.19 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 54.18 2jqy s GLU 154 Cb -0.14 -2.34 0.07 0.00 0.10 0.00 0.00 34.13 31.82 2jqy s GLU 154 CO 0.08 -0.70 0.45 0.99 0.02 0.00 0.00 175.26 176.10 2jqy s THR 155 N 1.58 5.15 -0.15 3.63 2.01 -1.08 -1.80 115.64 124.98 2jqy s THR 155 Ca -0.01 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 2jqy s THR 155 Cb -0.18 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 2jqy s THR 155 CO -0.10 -0.63 0.00 -0.83 -0.69 0.00 0.00 174.62 172.37 2jqy s GLY 156 N 2.59 1.81 -0.17 4.40 0.00 -1.03 -2.02 107.32 112.90 2jqy s GLY 156 Ca 0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.96 2jqy s GLY 156 CO 0.08 -0.15 -0.04 1.08 0.00 0.00 0.00 173.10 174.08 2jqy s LEU 157 N 0.08 3.15 -0.30 0.66 1.02 -1.11 -2.42 118.68 119.76 2jqy s LEU 157 Ca 0.02 -0.20 -0.04 0.00 0.02 0.00 0.00 54.13 53.93 2jqy s LEU 157 Cb -0.13 -1.77 0.04 0.00 0.02 0.00 0.00 46.19 44.35 2jqy s LEU 157 CO 0.02 0.12 0.03 -1.10 0.02 0.00 0.00 176.35 175.44 2jqy s GLN 158 N 0.66 2.66 -0.15 1.70 -1.52 0.43 -2.88 119.66 120.57 2jqy s GLN 158 Ca -0.02 -1.13 -0.01 0.00 -1.95 0.00 0.00 55.36 52.25 2jqy s GLN 158 Cb -0.14 -3.26 0.04 0.00 -0.22 0.00 0.00 33.01 29.42 2jqy s GLN 158 CO 0.02 -0.57 -0.05 -0.47 -0.25 0.00 0.00 175.29 173.97 2jqy s TYR 159 N 1.35 1.51 0.04 0.91 6.14 -1.15 -1.04 117.35 125.10 2jqy s TYR 159 Ca -0.02 -0.90 -0.25 0.00 0.64 0.00 0.00 57.07 56.54 2jqy s TYR 159 Cb -0.19 -1.23 -0.05 0.00 0.42 0.00 0.00 41.96 40.91 2jqy s TYR 159 CO 0.00 -0.56 0.76 0.95 0.64 0.00 0.00 175.55 177.34 2jqy s THR 160 N 1.70 4.74 0.48 4.34 -4.23 -1.24 -2.01 115.64 119.41 2jqy s THR 160 Ca 0.02 1.62 0.13 0.00 -1.18 0.00 0.00 61.69 62.29 2jqy s THR 160 Cb -0.14 -4.11 0.25 0.00 1.34 0.00 0.00 72.50 69.83 2jqy s THR 160 CO -0.08 0.36 2.09 -0.26 -0.54 0.00 0.00 174.62 176.20 2jqy h PHE 161 N 5.68 0.13 0.00 3.99 -1.00 -1.76 -3.35 116.94 120.63 2jqy h PHE 161 Ca -0.44 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.17 2jqy h PHE 161 Cb 1.20 -0.04 -0.13 0.00 3.61 0.00 0.00 35.95 40.59 2jqy h PHE 161 CO 0.65 0.12 -0.24 -1.71 -1.61 0.00 0.00 178.31 175.52 2jqy n ASN 162 N -4.48 -1.48 -2.84 2.17 2.85 -1.26 -5.04 115.26 105.18 2jqy n ASN 162 Ca -0.01 -2.16 -0.01 0.00 -0.11 0.00 0.00 54.58 52.28 2jqy n ASN 162 Cb 0.12 0.77 0.00 0.00 1.24 0.00 0.00 39.78 41.91 2jqy n ASN 162 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2jqy n GLU 163 N -1.01 -1.37 0.00 1.20 2.13 -1.26 -4.89 120.64 115.45 2jqy n GLU 163 Ca -0.12 1.50 0.00 0.00 0.66 0.00 0.00 57.16 59.20 2jqy n GLU 163 Cb 0.82 -5.26 0.00 0.00 0.27 0.00 0.00 31.44 27.27 2jqy n GLU 163 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2jqy n THR 164 N -1.39 0.00 -3.61 6.31 -2.24 -1.26 -5.10 114.28 106.99 2jqy n THR 164 Ca 0.02 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.40 2jqy n THR 164 Cb 0.48 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.60 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 4.70 0.25 2.28 1.01 -1.26 -4.63 120.40 122.75 2jqy s VAL 165 Ca 0.00 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.48 2jqy s VAL 165 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2jqy s VAL 165 CO 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 175.10 174.94 2jqy s ALA 166 N 1.60 3.01 -0.09 5.51 0.00 -1.25 -1.88 121.76 128.68 2jqy s ALA 166 Ca 0.04 -1.67 -0.06 0.00 0.00 0.00 0.00 51.96 50.27 2jqy s ALA 166 Cb -0.18 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 2jqy s ALA 166 CO 0.07 0.31 0.15 -0.48 0.00 0.00 0.00 175.76 175.82 2jqy s LEU 167 N -3.45 4.38 -0.29 0.00 2.34 -0.85 -3.41 118.68 117.40 2jqy s LEU 167 Ca 0.30 0.43 0.01 0.00 0.06 0.00 0.00 54.13 54.93 2jqy s LEU 167 Cb -0.07 -2.23 0.06 0.00 -0.56 0.00 0.00 46.19 43.39 2jqy s LEU 167 CO 0.18 0.37 -0.05 -0.13 -1.06 0.00 0.00 176.35 175.65 2jqy s ARG 168 N -1.30 2.24 -0.44 1.48 0.52 -0.96 -2.96 118.95 117.54 2jqy s ARG 168 Ca 0.19 -1.38 -0.07 0.00 -0.52 0.00 0.00 55.73 53.95 2jqy s ARG 168 Cb -0.12 -3.04 0.11 0.00 0.52 0.00 0.00 34.95 32.42 2jqy s ARG 168 CO 0.08 -0.63 0.28 0.14 0.02 0.00 0.00 175.30 175.19 2jqy s VAL 169 N 1.14 3.86 0.13 3.52 -7.23 -1.14 -1.46 120.40 119.21 2jqy s VAL 169 Ca -0.06 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 2jqy s VAL 169 Cb -0.20 -3.54 -0.06 0.00 0.56 0.00 0.00 36.38 33.14 2jqy s VAL 169 CO -0.04 -0.69 0.47 0.20 -0.31 0.00 0.00 175.10 174.73 2jqy s ASN 170 N 2.27 6.70 -0.25 4.85 -0.87 -1.08 -2.73 114.94 123.82 2jqy s ASN 170 Ca 0.06 0.90 0.01 0.00 -1.57 0.00 0.00 52.86 52.26 2jqy s ASN 170 Cb -0.24 -2.22 0.07 0.00 -0.02 0.00 0.00 41.25 38.84 2jqy s ASN 170 CO -0.02 0.11 -0.03 -0.47 -2.57 0.00 0.00 177.10 174.13 2jqy s TYR 171 N -1.49 2.46 0.16 2.20 6.14 -0.86 -3.00 117.35 122.96 2jqy s TYR 171 Ca 0.37 -1.88 -0.22 0.00 0.64 0.00 0.00 57.07 55.98 2jqy s TYR 171 Cb -0.14 -1.73 -0.08 0.00 0.42 0.00 0.00 41.96 40.44 2jqy s TYR 171 CO 0.19 -0.80 0.71 0.71 0.64 0.00 0.00 175.55 177.00 2jqy s TYR 172 N 1.37 3.81 -0.29 4.97 1.51 -0.69 -2.65 117.35 125.38 2jqy s TYR 172 Ca -0.03 1.47 -0.03 0.00 -1.01 0.00 0.00 57.07 57.47 2jqy s TYR 172 Cb -0.19 -2.65 0.11 0.00 -0.11 0.00 0.00 41.96 39.12 2jqy s TYR 172 CO -0.08 0.48 0.17 -0.51 -1.11 0.00 0.00 175.55 174.50 2jqy s LEU 173 N -1.38 0.35 -0.21 -1.29 1.43 -0.78 -2.16 118.68 114.65 2jqy s LEU 173 Ca 0.36 -1.17 -0.20 0.00 -1.03 0.00 0.00 54.13 52.10 2jqy s LEU 173 Cb -0.20 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 2jqy s LEU 173 CO 0.23 -0.43 0.59 -0.70 0.23 0.00 0.00 176.35 176.27 2jqy s GLU 174 N 2.16 4.19 0.02 1.70 2.12 -0.92 -2.98 118.70 124.98 2jqy s GLU 174 Ca 0.09 0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.99 2jqy s GLU 174 Cb -0.16 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 2jqy s GLU 174 CO -0.36 -0.23 -0.09 1.03 -0.54 0.00 0.00 175.26 175.06 2jqy s ARG 175 N 1.90 0.67 0.04 4.30 0.52 -1.13 -2.61 118.95 122.64 2jqy s ARG 175 Ca 0.27 -0.54 -0.17 0.00 -0.52 0.00 0.00 55.73 54.77 2jqy s ARG 175 Cb -0.16 -0.60 0.03 0.00 0.52 0.00 0.00 34.95 34.74 2jqy s ARG 175 CO 0.10 0.15 0.37 0.20 0.02 0.00 0.00 175.30 176.14 2jqy s GLY 176 N -0.84 -0.22 -0.19 -3.53 0.00 -1.26 -3.84 107.32 97.44 2jqy s GLY 176 Ca -0.01 0.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.91 2jqy s GLY 176 CO 0.00 -0.04 -0.13 -1.36 0.00 0.00 0.00 173.10 171.58 2jqy s PHE 177 N -2.49 2.84 0.38 1.90 0.40 -1.26 -4.77 117.98 114.98 2jqy s PHE 177 Ca -0.05 -1.24 -0.01 0.00 -0.60 0.00 0.00 56.93 55.03 2jqy s PHE 177 Cb -0.01 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 2jqy s PHE 177 CO -0.03 -0.63 0.60 1.21 0.70 0.00 0.00 175.22 177.07 2jqy s ASN 178 N 1.24 6.28 -0.52 1.36 3.84 -1.26 -4.24 114.94 121.65 2jqy s ASN 178 Ca 0.03 0.54 0.01 0.00 0.21 0.00 0.00 52.86 53.65 2jqy s ASN 178 Cb -0.14 -2.07 0.50 0.00 -0.55 0.00 0.00 41.25 38.99 2jqy s ASN 178 CO -0.06 -0.36 1.95 0.80 -2.79 0.00 0.00 177.10 176.63 2jqy n MET 179 N -1.89 2.36 -3.61 0.43 1.56 -1.26 -4.90 117.12 109.82 2jqy n MET 179 Ca -0.04 -2.87 -0.40 0.00 -0.27 0.00 0.00 57.70 54.12 2jqy n MET 179 Cb 0.56 -2.13 -0.11 0.00 2.15 0.00 0.00 33.22 33.69 2jqy n MET 179 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2jqy s ASP 180 N -1.30 5.71 -0.39 6.12 2.15 -1.26 -4.95 116.67 122.74 2jqy s ASP 180 Ca 0.56 -0.76 0.05 0.00 0.43 0.00 0.00 52.55 52.83 2jqy s ASP 180 Cb 0.45 -2.03 0.46 0.00 -0.30 0.00 0.00 42.92 41.50 2jqy s ASP 180 CO 0.04 -0.30 1.43 0.47 -0.17 0.00 0.00 175.17 176.64 2jqy n ASP 181 N 5.01 5.46 0.01 -0.34 9.92 -1.26 -4.09 116.55 131.26 2jqy n ASP 181 Ca -0.13 -3.77 0.00 0.00 -0.53 0.00 0.00 54.79 50.37 2jqy n ASP 181 Cb 0.48 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 2jqy n ASP 181 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2jqy n SER 182 N -0.80 0.07 -0.11 -2.24 7.64 -1.26 -4.92 113.62 112.00 2jqy n SER 182 Ca 0.48 0.03 -0.15 0.00 1.01 0.00 0.00 58.87 60.24 2jqy n SER 182 Cb 0.89 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.97 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 -2.89 0.67 -2.39 1.43 3.00 -1.26 -5.00 116.66 110.22 2jqy n ARG 183 Ca 0.00 0.11 -0.21 0.00 -0.01 0.00 0.00 57.85 57.74 2jqy n ARG 183 Cb 0.28 -1.46 -0.01 0.00 0.00 0.00 0.00 32.46 31.27 2jqy n ARG 183 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jqy n ASN 184 N -3.07 -5.94 -0.68 0.55 4.13 -1.26 -4.87 115.26 104.13 2jqy n ASN 184 Ca -0.38 -0.01 0.06 0.00 1.68 0.00 0.00 54.58 55.92 2jqy n ASN 184 Cb 0.96 -4.94 0.19 0.00 -1.54 0.00 0.00 39.78 34.45 2jqy n ASN 184 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2jqy n ASN 185 N -2.00 1.67 -0.57 6.41 2.85 -1.26 -4.69 115.26 117.67 2jqy n ASN 185 Ca -0.25 -3.76 0.06 0.00 -0.11 0.00 0.00 54.58 50.52 2jqy n ASN 185 Cb 0.69 -0.51 0.19 0.00 1.24 0.00 0.00 39.78 41.39 2jqy n ASN 185 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jqy n GLY 186 N -0.99 5.02 2.81 8.20 0.00 -1.26 -4.98 105.19 113.98 2jqy n GLY 186 Ca 0.18 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 2jqy n GLY 186 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jqy s GLU 187 N -3.15 0.00 0.10 1.61 8.01 -1.26 -4.76 118.70 119.25 2jqy s GLU 187 Ca 0.38 0.36 -0.03 0.00 0.01 0.00 0.00 54.97 55.69 2jqy s GLU 187 Cb 0.35 -0.29 -0.03 0.00 -4.31 0.00 0.00 34.13 29.85 2jqy s GLU 187 CO -0.03 -0.23 0.08 0.12 0.01 0.00 0.00 175.26 175.20 2jqy s PHE 188 N 1.60 0.54 -0.40 1.61 5.36 -1.26 -5.10 117.98 120.33 2jqy s PHE 188 Ca -0.03 -0.99 -0.11 0.00 -0.96 0.00 0.00 56.93 54.84 2jqy s PHE 188 Cb -0.12 -0.31 0.05 0.00 -0.34 0.00 0.00 43.02 42.29 2jqy s PHE 188 CO -0.04 -0.50 0.23 -1.12 -1.46 0.00 0.00 175.22 172.33 2jqy s SER 189 N -2.95 5.72 -0.51 6.13 0.01 -1.26 -4.59 113.70 116.25 2jqy s SER 189 Ca 0.13 -1.20 -0.24 0.00 1.31 0.00 0.00 55.95 55.95 2jqy s SER 189 Cb 0.07 -2.02 0.03 0.00 0.21 0.00 0.00 66.02 64.31 2jqy s SER 189 CO -0.05 -0.45 0.91 0.42 0.41 0.00 0.00 173.24 174.47 2jqy s THR 190 N 1.51 4.46 -0.21 1.44 -4.23 -1.07 -4.94 115.64 112.60 2jqy s THR 190 Ca 0.02 0.44 -0.18 0.00 -1.18 0.00 0.00 61.69 60.79 2jqy s THR 190 Cb -0.21 -4.47 -0.03 0.00 1.34 0.00 0.00 72.50 69.13 2jqy s THR 190 CO 0.05 -0.96 0.50 -1.58 -0.54 0.00 0.00 174.62 172.10 2jqy s GLN 191 N 3.76 4.17 0.25 3.99 0.74 -1.26 -2.17 119.66 129.14 2jqy s GLN 191 Ca 0.32 0.38 0.12 0.00 0.05 0.00 0.00 55.36 56.22 2jqy s GLN 191 Cb -0.12 -3.57 -0.05 0.00 1.10 0.00 0.00 33.01 30.38 2jqy s GLN 191 CO 0.22 -0.16 -0.20 -2.00 -0.55 0.00 0.00 175.29 172.60 2jqy s GLU 192 N 1.68 1.67 -0.01 1.67 2.56 -0.92 -5.02 118.70 120.34 2jqy s GLU 192 Ca 0.23 -1.66 0.03 0.00 0.00 0.00 0.00 54.97 53.57 2jqy s GLU 192 Cb -0.15 -1.83 -0.01 0.00 2.00 0.00 0.00 34.13 34.14 2jqy s GLU 192 CO 0.09 0.36 -0.10 -1.50 -0.56 0.00 0.00 175.26 173.55 2jqy s ILE 193 N -2.21 0.78 -0.01 -3.70 2.07 -1.26 -1.70 121.20 115.16 2jqy s ILE 193 Ca 0.27 -0.43 0.02 0.00 -1.41 0.00 0.00 60.65 59.10 2jqy s ILE 193 Cb -0.06 -0.65 0.00 0.00 0.13 0.00 0.00 42.46 41.88 2jqy s ILE 193 CO 0.14 0.21 -0.07 -0.60 -1.91 0.00 0.00 174.94 172.71 2jqy s ARG 194 N -0.25 0.65 0.07 3.50 3.52 -1.16 -4.25 118.95 121.03 2jqy s ARG 194 Ca 0.04 -0.23 0.03 0.00 -0.13 0.00 0.00 55.73 55.43 2jqy s ARG 194 Cb -0.04 -0.64 -0.04 0.00 -1.56 0.00 0.00 34.95 32.68 2jqy s ARG 194 CO -0.00 0.11 0.09 0.00 -0.81 0.00 0.00 175.30 174.69 2jqy s ALA 195 N 0.05 3.61 0.29 6.12 0.00 -0.94 -2.64 121.76 128.25 2jqy s ALA 195 Ca -0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 50.81 2jqy s ALA 195 Cb -0.05 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.61 2jqy s ALA 195 CO -0.00 0.76 0.63 0.71 0.00 0.00 0.00 175.76 177.85 2jqy s TYR 196 N -1.39 0.15 -0.31 0.00 2.02 -0.54 -2.87 117.35 114.41 2jqy s TYR 196 Ca 0.30 -0.59 -0.11 0.00 -0.37 0.00 0.00 57.07 56.29 2jqy s TYR 196 Cb -0.12 0.49 0.20 0.00 -0.40 0.00 0.00 41.96 42.12 2jqy s TYR 196 CO 0.22 -1.20 1.13 -1.17 -1.57 0.00 0.00 175.55 172.96 2jqy s LEU 197 N -3.00 -0.12 -0.24 -1.29 2.96 -1.24 -2.26 118.68 113.48 2jqy s LEU 197 Ca 0.17 -0.09 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 2jqy s LEU 197 Cb -0.04 0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.78 2jqy s LEU 197 CO 0.09 -0.01 1.71 -2.16 -1.32 0.00 0.00 176.35 174.66 2jqy s PRO 198 N 1.68 3.65 -0.11 0.98 0.04 -1.22 -4.07 135.00 135.96 2jqy s PRO 198 Ca 0.17 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.87 2jqy s PRO 198 Cb 0.07 -4.10 -0.02 0.00 0.04 0.00 0.00 34.50 30.50 2jqy s PRO 198 CO -0.15 -1.47 -0.14 -0.51 0.04 0.00 0.00 177.00 174.77 2jqy s LEU 199 N 5.77 2.69 0.05 -3.56 1.02 0.22 -3.85 118.68 121.02 2jqy s LEU 199 Ca 0.76 -0.30 0.01 0.00 0.02 0.00 0.00 54.13 54.61 2jqy s LEU 199 Cb -0.25 -1.59 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 2jqy s LEU 199 CO 0.31 0.22 -0.05 0.42 0.02 0.00 0.00 176.35 177.27 2jqy s THR 200 N 0.04 0.39 -0.36 5.49 -4.23 -1.26 -0.88 115.64 114.85 2jqy s THR 200 Ca -0.05 -1.50 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 2jqy s THR 200 Cb -0.14 -1.10 0.14 0.00 1.34 0.00 0.00 72.50 72.74 2jqy s THR 200 CO 0.04 -0.73 0.27 -0.76 -0.54 0.00 0.00 174.62 172.91 2jqy s LEU 201 N -2.36 0.54 0.00 4.79 1.02 -1.20 -4.92 118.68 116.54 2jqy s LEU 201 Ca -0.00 -1.90 0.00 0.00 0.02 0.00 0.00 54.13 52.25 2jqy s LEU 201 Cb -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 46.19 46.20 2jqy s LEU 201 CO -0.04 -0.30 0.00 0.61 0.02 0.00 0.00 176.35 176.64 2jqy n GLY 202 N 4.18 0.80 2.29 -3.19 0.00 -1.26 -3.69 105.19 104.31 2jqy n GLY 202 Ca 0.11 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 1.96 0.29 -3.71 1.61 2.85 -1.26 -5.10 115.26 111.90 2jqy n ASN 203 Ca 0.00 -3.13 -0.13 0.00 -0.11 0.00 0.00 54.58 51.21 2jqy n ASN 203 Cb 0.00 -0.18 -0.09 0.00 1.24 0.00 0.00 39.78 40.75 2jqy n ASN 203 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2jqy s HIS 204 N -1.97 -0.51 -0.17 1.20 3.76 -1.24 -4.88 115.29 111.48 2jqy s HIS 204 Ca 0.37 1.22 -0.00 0.00 -0.15 0.00 0.00 55.06 56.50 2jqy s HIS 204 Cb 0.34 0.18 0.04 0.00 1.11 0.00 0.00 32.58 34.25 2jqy s HIS 204 CO -0.07 -0.26 -0.07 0.45 -0.85 0.00 0.00 174.74 173.94 2jqy s SER 205 N 0.15 2.87 -0.04 1.40 0.15 0.18 -3.26 113.70 115.16 2jqy s SER 205 Ca -0.01 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.98 2jqy s SER 205 Cb -0.03 -0.97 0.03 0.00 -1.71 0.00 0.00 66.02 63.33 2jqy s SER 205 CO 0.01 -0.17 -0.00 -0.69 1.20 0.00 0.00 173.24 173.59 2jqy s VAL 206 N 1.59 0.24 -0.24 4.45 1.01 -0.05 0.24 120.40 127.63 2jqy s VAL 206 Ca 0.01 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 2jqy s VAL 206 Cb -0.15 -0.34 0.08 0.00 0.00 0.00 0.00 36.38 35.97 2jqy s VAL 206 CO -0.08 0.17 0.09 0.42 0.00 0.00 0.00 175.10 175.70 2jqy s THR 207 N 1.14 0.33 -0.14 3.92 -4.23 -1.08 0.72 115.64 116.30 2jqy s THR 207 Ca -0.08 -0.74 -0.23 0.00 -1.18 0.00 0.00 61.69 59.46 2jqy s THR 207 Cb -0.13 -1.08 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 2jqy s THR 207 CO -0.02 -0.48 0.73 -2.16 -0.54 0.00 0.00 174.62 172.15 2jqy s PRO 208 N 1.92 4.33 -0.08 3.99 0.04 -1.26 -1.75 135.00 142.20 2jqy s PRO 208 Ca 0.05 0.86 0.02 0.00 0.04 0.00 0.00 61.00 61.96 2jqy s PRO 208 Cb -0.17 -3.53 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 2jqy s PRO 208 CO -0.20 -0.15 -0.11 1.52 0.04 0.00 0.00 177.00 178.09 2jqy s TYR 209 N 1.57 2.81 0.01 0.56 1.13 0.24 -3.72 117.35 119.95 2jqy s TYR 209 Ca 0.35 -0.20 0.05 0.00 -1.41 0.00 0.00 57.07 55.86 2jqy s TYR 209 Cb -0.17 -1.71 -0.02 0.00 -1.10 0.00 0.00 41.96 38.97 2jqy s TYR 209 CO 0.14 0.14 -0.14 0.95 -2.51 0.00 0.00 175.55 174.13 2jqy s THR 210 N -0.50 1.11 0.42 -3.49 -4.23 -1.14 -0.05 115.64 107.77 2jqy s THR 210 Ca 0.07 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 2jqy s THR 210 Cb -0.12 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.76 2jqy s THR 210 CO 0.02 0.18 0.00 0.54 -0.54 0.00 0.00 174.62 174.82 2jqy n ARG 211 N 2.38 -4.20 0.00 3.99 5.12 -1.26 -2.21 116.66 120.48 2jqy n ARG 211 Ca -0.16 3.10 0.00 0.00 -1.93 0.00 0.00 57.85 58.86 2jqy n ARG 211 Cb 0.55 -3.46 0.00 0.00 -1.16 0.00 0.00 32.46 28.39 2jqy n ARG 211 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2jqy n ILE 212 N -0.47 0.00 0.00 0.55 5.41 -1.26 -4.32 119.36 119.27 2jqy n ILE 212 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2jqy n ILE 212 Cb 0.00 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 2jqy n ILE 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jqy n GLY 213 N 1.02 1.07 3.51 7.39 0.00 -1.26 -4.69 105.19 112.23 2jqy n GLY 213 Ca 0.00 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.84 2jqy n GLY 213 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jqy n LEU 214 N -0.17 -3.68 -2.95 0.99 7.94 -1.26 -4.95 117.00 112.91 2jqy n LEU 214 Ca 0.00 -0.57 -0.20 0.00 -1.11 0.00 0.00 56.01 54.13 2jqy n LEU 214 Cb 0.00 -3.06 -0.02 0.00 0.53 0.00 0.00 43.42 40.87 2jqy n LEU 214 CO 0.00 0.53 -0.05 -0.67 -1.11 0.00 0.00 177.39 176.09 2jqy n ASP 215 N -3.05 2.46 -2.24 1.96 -0.08 -1.26 -4.89 116.55 109.45 2jqy n ASP 215 Ca -0.12 -3.25 -0.29 0.00 -1.51 0.00 0.00 54.79 49.62 2jqy n ASP 215 Cb 0.61 -0.57 0.11 0.00 2.34 0.00 0.00 41.12 43.61 2jqy n ASP 215 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2jqy n ARG 216 N -0.02 2.43 -3.50 -0.67 0.63 -1.26 -4.81 116.66 109.47 2jqy n ARG 216 Ca 0.26 -3.01 -0.18 0.00 -0.92 0.00 0.00 57.85 54.01 2jqy n ARG 216 Cb 0.60 -2.18 -0.13 0.00 0.45 0.00 0.00 32.46 31.21 2jqy n ARG 216 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 2jqy s TRP 217 N -3.42 -0.30 -0.00 -0.14 -0.11 -1.26 -5.04 118.94 108.67 2jqy s TRP 217 Ca 0.58 0.28 -0.04 0.00 1.22 0.00 0.00 56.10 58.15 2jqy s TRP 217 Cb 0.47 -0.33 -0.01 0.00 -1.50 0.00 0.00 33.47 32.10 2jqy s TRP 217 CO 0.04 -0.59 -0.07 0.45 -4.62 0.00 0.00 176.95 172.15 2jqy n SER 218 N 5.32 0.82 0.11 5.86 2.88 -1.26 -5.08 113.62 122.28 2jqy n SER 218 Ca -0.05 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2jqy n SER 218 Cb 0.50 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2jqy n SER 218 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jqy n ASN 219 N -3.28 -2.00 -3.43 -3.46 2.85 -1.26 -5.09 115.26 99.59 2jqy n ASN 219 Ca -0.03 0.46 -0.21 0.00 -0.11 0.00 0.00 54.58 54.69 2jqy n ASN 219 Cb 0.11 2.09 -0.11 0.00 1.24 0.00 0.00 39.78 43.11 2jqy n ASN 219 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 2jqy s TRP 220 N -2.00 -0.19 -0.11 1.20 0.23 -1.26 -5.13 118.94 111.68 2jqy s TRP 220 Ca 0.00 -0.50 0.03 0.00 -2.03 0.00 0.00 56.10 53.60 2jqy s TRP 220 Cb 0.00 -0.59 -0.01 0.00 0.03 0.00 0.00 33.47 32.91 2jqy s TRP 220 CO 0.00 -0.90 -0.20 0.16 0.96 0.00 0.00 176.95 176.97 2jqy s ASP 221 N 2.12 3.41 0.05 2.95 1.47 -1.26 -5.12 116.67 120.30 2jqy s ASP 221 Ca 0.11 -0.47 -0.20 0.00 1.18 0.00 0.00 52.55 53.16 2jqy s ASP 221 Cb -0.15 -1.44 0.04 0.00 -0.34 0.00 0.00 42.92 41.03 2jqy s ASP 221 CO -0.29 0.17 0.47 0.86 0.68 0.00 0.00 175.17 177.06 2jqy s TRP 222 N 0.30 -0.34 -0.80 2.11 -0.00 -1.26 -5.09 118.94 113.87 2jqy s TRP 222 Ca -0.15 0.32 -0.25 0.00 -0.00 0.00 0.00 56.10 56.02 2jqy s TRP 222 Cb -0.17 0.29 -0.05 0.00 -0.00 0.00 0.00 33.47 33.54 2jqy s TRP 222 CO 0.08 -0.62 1.98 -0.65 -0.00 0.00 0.00 176.95 177.74 2jqy s GLN 223 N -2.57 2.47 -0.30 5.86 -0.21 -1.26 -4.79 119.66 118.86 2jqy s GLN 223 Ca -0.05 0.10 -0.05 0.00 0.02 0.00 0.00 55.36 55.38 2jqy s GLN 223 Cb -0.01 -4.83 0.19 0.00 1.00 0.00 0.00 33.01 29.36 2jqy s GLN 223 CO -0.03 -3.30 0.88 0.34 -2.12 0.00 0.00 175.29 171.07 2jqy s ASP 224 N 8.48 -0.85 0.48 5.90 2.15 -1.26 -5.16 116.67 126.42 2jqy s ASP 224 Ca 0.72 0.09 -0.23 0.00 0.43 0.00 0.00 52.55 53.56 2jqy s ASP 224 Cb -0.09 1.53 -0.07 0.00 -0.30 0.00 0.00 42.92 43.99 2jqy s ASP 224 CO 0.07 -0.15 1.26 1.51 -0.17 0.00 0.00 175.17 177.69 2jqy s ASP 225 N 2.89 5.85 0.26 -0.34 1.47 -1.26 -5.04 116.67 120.51 2jqy s ASP 225 Ca 0.21 2.54 -0.01 0.00 1.18 0.00 0.00 52.55 56.47 2jqy s ASP 225 Cb -0.05 -2.62 -0.03 0.00 -0.34 0.00 0.00 42.92 39.89 2jqy s ASP 225 CO -0.24 -1.15 0.28 0.27 0.68 0.00 0.00 175.17 175.00 2jqy s ILE 226 N -1.41 0.00 -0.14 2.11 -5.25 -1.26 -5.07 121.20 110.19 2jqy s ILE 226 Ca 0.65 -1.85 0.17 0.00 -0.99 0.00 0.00 60.65 58.64 2jqy s ILE 226 Cb -0.35 -2.48 0.43 0.00 2.95 0.00 0.00 42.46 43.01 2jqy s ILE 226 CO 0.42 0.00 1.20 -0.62 -1.79 0.00 0.00 174.94 174.15 2jqy n GLU 227 N -0.42 1.11 -0.10 0.37 1.02 -1.26 -4.73 120.64 116.62 2jqy n GLU 227 Ca 0.03 -2.88 -0.11 0.00 -0.02 0.00 0.00 57.16 54.18 2jqy n GLU 227 Cb 0.64 -1.06 -0.15 0.00 -0.02 0.00 0.00 31.44 30.84 2jqy n GLU 227 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jqy n ARG 228 N -0.49 0.68 -0.01 3.49 1.74 -1.26 -4.98 116.66 115.83 2jqy n ARG 228 Ca 0.15 0.01 -0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2jqy n ARG 228 Cb 0.88 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 2jqy n ARG 228 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2jqy n GLU 229 N -2.82 -1.09 0.00 5.56 2.13 -1.26 -4.98 120.64 118.17 2jqy n GLU 229 Ca -0.35 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.45 2jqy n GLU 229 Cb 1.14 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 32.83 2jqy n GLU 229 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jqy n GLY 230 N 2.25 0.19 3.21 8.31 0.00 -1.26 -5.15 105.19 112.74 2jqy n GLY 230 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2jqy n GLY 230 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jqy s HIS 231 N -0.22 -1.23 -0.51 1.61 -3.43 -1.26 -5.12 115.29 105.14 2jqy s HIS 231 Ca 0.00 1.59 -0.17 0.00 -0.80 0.00 0.00 55.06 55.68 2jqy s HIS 231 Cb 0.00 0.44 0.08 0.00 -1.43 0.00 0.00 32.58 31.67 2jqy s HIS 231 CO 0.00 -0.73 0.52 -0.51 -2.00 0.00 0.00 174.74 172.02 2jqy s ASP 232 N 2.75 6.18 0.57 7.38 1.01 -1.26 -4.91 116.67 128.39 2jqy s ASP 232 Ca 0.10 -1.31 0.35 0.00 0.71 0.00 0.00 52.55 52.40 2jqy s ASP 232 Cb -0.14 -2.24 1.57 0.00 1.01 0.00 0.00 42.92 43.13 2jqy s ASP 232 CO -0.18 -0.82 2.07 0.15 0.21 0.00 0.00 175.17 176.59 2jqy h PHE 233 N 8.91 0.00 -2.52 4.23 3.57 -1.99 -3.49 116.94 125.65 2jqy h PHE 233 Ca -0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 2jqy h PHE 233 Cb 1.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2jqy h PHE 233 CO 0.71 0.02 -0.62 -1.71 -2.23 0.00 0.00 178.31 174.49 2jqy n ASN 234 N -3.15 -6.12 -4.48 0.41 5.15 -1.26 -4.89 115.26 100.91 2jqy n ASN 234 Ca -0.00 0.89 -0.41 0.00 -0.60 0.00 0.00 54.58 54.46 2jqy n ASN 234 Cb 0.26 -2.96 -0.11 0.00 -0.53 0.00 0.00 39.78 36.44 2jqy n ASN 234 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2jqy s ARG 235 N -4.53 3.27 -0.02 1.20 0.52 -1.26 -4.73 118.95 113.39 2jqy s ARG 235 Ca 0.00 -0.79 -0.15 0.00 -0.52 0.00 0.00 55.73 54.26 2jqy s ARG 235 Cb 0.00 -3.81 0.03 0.00 0.52 0.00 0.00 34.95 31.69 2jqy s ARG 235 CO 0.00 -0.54 0.33 0.14 0.02 0.00 0.00 175.30 175.24 2jqy s VAL 236 N 1.68 0.05 0.00 3.52 -7.23 -1.26 -4.06 120.40 113.10 2jqy s VAL 236 Ca 0.05 -0.44 0.01 0.00 -1.81 0.00 0.00 61.98 59.79 2jqy s VAL 236 Cb -0.18 -0.63 -0.00 0.00 0.56 0.00 0.00 36.38 36.13 2jqy s VAL 236 CO 0.09 -0.24 -0.02 -0.83 -0.31 0.00 0.00 175.10 173.79 2jqy s GLY 237 N -1.27 0.12 -0.14 2.32 0.00 0.93 -4.34 107.32 104.94 2jqy s GLY 237 Ca -0.13 -0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.46 2jqy s GLY 237 CO 0.04 -0.13 -0.15 0.48 0.00 0.00 0.00 173.10 173.34 2jqy s LEU 238 N -0.19 1.75 0.09 0.66 2.34 -1.13 0.82 118.68 123.02 2jqy s LEU 238 Ca -0.01 -0.49 -0.01 0.00 0.06 0.00 0.00 54.13 53.69 2jqy s LEU 238 Cb -0.02 -1.19 -0.04 0.00 -0.56 0.00 0.00 46.19 44.38 2jqy s LEU 238 CO -0.00 -0.02 0.26 0.12 -1.06 0.00 0.00 176.35 175.65 2jqy s PHE 239 N 1.27 3.51 0.09 3.48 5.36 -0.72 -2.55 117.98 128.43 2jqy s PHE 239 Ca 0.01 0.31 0.10 0.00 -0.96 0.00 0.00 56.93 56.39 2jqy s PHE 239 Cb -0.14 -1.81 -0.04 0.00 -0.34 0.00 0.00 43.02 40.70 2jqy s PHE 239 CO -0.07 0.54 -0.27 -0.47 -1.46 0.00 0.00 175.22 173.49 2jqy s TYR 240 N -1.57 2.32 -0.21 10.12 5.04 0.02 -2.62 117.35 130.45 2jqy s TYR 240 Ca 0.36 -0.39 -0.10 0.00 -2.44 0.00 0.00 57.07 54.50 2jqy s TYR 240 Cb -0.13 -1.31 0.08 0.00 0.35 0.00 0.00 41.96 40.95 2jqy s TYR 240 CO 0.27 0.25 0.50 0.20 -1.34 0.00 0.00 175.55 175.44 2jqy s GLY 241 N -1.72 -0.45 0.14 8.97 0.00 0.14 -2.61 107.32 111.79 2jqy s GLY 241 Ca 0.13 1.82 -0.10 0.00 0.00 0.00 0.00 44.72 46.57 2jqy s GLY 241 CO 0.04 2.15 0.29 -0.47 0.00 0.00 0.00 173.10 175.11 2jqy s TYR 242 N 1.86 0.20 0.18 1.90 5.04 0.10 -0.64 117.35 125.98 2jqy s TYR 242 Ca -0.08 -0.58 0.10 0.00 -2.44 0.00 0.00 57.07 54.07 2jqy s TYR 242 Cb -0.09 0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.20 2jqy s TYR 242 CO -0.15 -0.68 -0.19 0.34 -1.34 0.00 0.00 175.55 173.53 2jqy s ASP 243 N -2.91 3.75 -0.21 4.32 -1.08 -1.26 -1.13 116.67 118.15 2jqy s ASP 243 Ca 0.11 -0.73 0.02 0.00 -0.52 0.00 0.00 52.55 51.43 2jqy s ASP 243 Cb 0.03 -0.44 -0.20 0.00 -1.46 0.00 0.00 42.92 40.85 2jqy s ASP 243 CO -0.05 0.13 -0.01 0.33 0.52 0.00 0.00 175.17 176.09 2jqy n PHE 244 N 0.30 0.36 -2.65 -5.34 7.35 -1.24 -4.88 117.46 111.35 2jqy n PHE 244 Ca -0.13 0.08 -0.03 0.00 -0.76 0.00 0.00 57.45 56.61 2jqy n PHE 244 Cb 0.55 -1.05 -0.02 0.00 0.35 0.00 0.00 39.48 39.32 2jqy n PHE 244 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 2jqy n GLN 245 N -3.24 0.16 -2.55 -4.13 7.27 -1.26 -5.05 117.38 108.57 2jqy n GLN 245 Ca -0.40 -0.66 -0.05 0.00 0.07 0.00 0.00 57.00 55.96 2jqy n GLN 245 Cb 1.03 -0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.63 2jqy n GLN 245 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2jqy n ASN 246 N -0.50 -1.12 0.00 1.69 4.05 -1.26 -4.75 115.26 113.36 2jqy n ASN 246 Ca -0.27 1.30 0.00 0.00 0.45 0.00 0.00 54.58 56.06 2jqy n ASN 246 Cb 0.64 -5.10 0.00 0.00 1.23 0.00 0.00 39.78 36.55 2jqy n ASN 246 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2jqy n GLY 247 N 1.53 1.37 3.74 8.20 0.00 -1.26 -4.93 105.19 113.84 2jqy n GLY 247 Ca -0.37 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 2jqy n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jqy s LEU 248 N 0.00 4.01 -0.25 0.99 1.02 -1.26 -1.42 118.68 121.78 2jqy s LEU 248 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 54.13 54.40 2jqy s LEU 248 Cb 0.00 -1.98 0.04 0.00 0.02 0.00 0.00 46.19 44.27 2jqy s LEU 248 CO 0.00 0.31 -0.09 -0.55 0.02 0.00 0.00 176.35 176.03 2jqy s SER 249 N -0.43 4.20 -0.22 2.29 0.15 -0.67 -3.66 113.70 115.36 2jqy s SER 249 Ca 0.10 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.72 2jqy s SER 249 Cb -0.12 -1.60 0.02 0.00 -1.71 0.00 0.00 66.02 62.61 2jqy s SER 249 CO 0.02 -0.14 -0.13 0.68 1.20 0.00 0.00 173.24 174.87 2jqy s VAL 250 N 1.24 2.44 0.32 4.45 -7.23 -0.29 0.16 120.40 121.50 2jqy s VAL 250 Ca -0.02 -1.02 0.04 0.00 -1.81 0.00 0.00 61.98 59.17 2jqy s VAL 250 Cb -0.17 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.54 2jqy s VAL 250 CO -0.06 0.35 0.04 -0.44 -0.31 0.00 0.00 175.10 174.68 2jqy s SER 251 N 1.29 2.43 -0.17 4.85 0.01 -0.70 0.01 113.70 121.43 2jqy s SER 251 Ca 0.02 -1.36 -0.09 0.00 1.31 0.00 0.00 55.95 55.83 2jqy s SER 251 Cb -0.15 -0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.04 2jqy s SER 251 CO -0.08 -0.58 0.40 -0.76 0.41 0.00 0.00 173.24 172.63 2jqy s LEU 252 N -3.48 -0.08 -0.24 2.44 1.02 -1.07 -1.23 118.68 116.03 2jqy s LEU 252 Ca 0.36 0.87 -0.08 0.00 0.02 0.00 0.00 54.13 55.30 2jqy s LEU 252 Cb 0.08 1.31 -0.04 0.00 0.02 0.00 0.00 46.19 47.57 2jqy s LEU 252 CO 0.15 -0.19 0.10 -1.83 0.02 0.00 0.00 176.35 174.59 2jqy s GLU 253 N 1.42 3.83 -0.25 1.70 -1.05 -0.13 -0.80 118.70 123.42 2jqy s GLU 253 Ca -0.09 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 2jqy s GLU 253 Cb -0.09 -3.37 0.07 0.00 -0.44 0.00 0.00 34.13 30.30 2jqy s GLU 253 CO -0.13 -0.04 -0.01 -0.47 0.95 0.00 0.00 175.26 175.57 2jqy s TYR 254 N 1.25 2.20 0.05 4.83 6.14 -1.06 -2.07 117.35 128.70 2jqy s TYR 254 Ca 0.05 -1.72 -0.02 0.00 0.64 0.00 0.00 57.07 56.02 2jqy s TYR 254 Cb -0.14 -1.63 -0.03 0.00 0.42 0.00 0.00 41.96 40.57 2jqy s TYR 254 CO 0.04 -0.78 0.01 0.00 0.64 0.00 0.00 175.55 175.47 2jqy s ALA 255 N 1.46 0.33 -0.40 3.97 0.00 -1.26 -2.85 121.76 123.00 2jqy s ALA 255 Ca -0.01 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 50.98 2jqy s ALA 255 Cb -0.18 0.29 0.17 0.00 0.00 0.00 0.00 23.12 23.40 2jqy s ALA 255 CO -0.09 -0.37 0.51 0.12 0.00 0.00 0.00 175.76 175.92 2jqy s PHE 256 N -3.62 -0.98 -0.35 0.00 2.19 -1.26 -4.74 117.98 109.22 2jqy s PHE 256 Ca 0.04 -0.34 -0.18 0.00 0.33 0.00 0.00 56.93 56.77 2jqy s PHE 256 Cb 0.05 -0.05 -0.00 0.00 -1.31 0.00 0.00 43.02 41.71 2jqy s PHE 256 CO -0.09 -1.08 0.53 -1.21 1.83 0.00 0.00 175.22 175.20 2jqy s GLU 257 N 1.58 3.62 0.62 10.12 2.02 -1.26 -4.84 118.70 130.56 2jqy s GLU 257 Ca 0.17 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.02 2jqy s GLU 257 Cb -0.09 -3.81 0.00 0.00 0.10 0.00 0.00 34.13 30.32 2jqy s GLU 257 CO -0.05 -0.66 0.00 0.91 0.02 0.00 0.00 175.26 175.48 2jqy n TRP 258 N 5.78 -3.93 -3.04 1.61 8.01 -1.26 -4.96 117.44 119.64 2jqy n TRP 258 Ca -0.04 2.17 -0.18 0.00 -1.31 0.00 0.00 57.50 58.14 2jqy n TRP 258 Cb 0.49 -3.54 0.01 0.00 -2.01 0.00 0.00 31.31 26.26 2jqy n TRP 258 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 2jqy s GLN 259 N -4.46 2.85 -0.00 -0.99 -0.21 -1.26 -5.12 119.66 110.46 2jqy s GLN 259 Ca 0.00 -1.16 -0.12 0.00 0.02 0.00 0.00 55.36 54.09 2jqy s GLN 259 Cb 0.00 -2.74 0.04 0.00 1.00 0.00 0.00 33.01 31.31 2jqy s GLN 259 CO 0.00 -0.26 0.55 -3.47 -2.12 0.00 0.00 175.29 169.99 2jqy n ASP 260 N -1.86 -0.54 -4.30 5.90 2.03 -1.26 -5.13 116.55 111.38 2jqy n ASP 260 Ca 0.07 -1.12 -0.22 0.00 0.52 0.00 0.00 54.79 54.03 2jqy n ASP 260 Cb 0.59 0.84 -0.01 0.00 -0.72 0.00 0.00 41.12 41.82 2jqy n ASP 260 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2jqy n HIS 261 N -0.40 -0.54 -3.28 -0.67 8.25 -1.26 -5.11 115.22 112.21 2jqy n HIS 261 Ca 0.02 -1.92 -0.38 0.00 -0.26 0.00 0.00 57.72 55.17 2jqy n HIS 261 Cb 0.25 -0.36 -0.06 0.00 1.12 0.00 0.00 29.99 30.95 2jqy n HIS 261 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2jqy s ASP 262 N -3.60 6.68 0.22 0.41 1.47 -1.26 -4.91 116.67 115.68 2jqy s ASP 262 Ca 0.22 0.81 0.00 0.00 1.18 0.00 0.00 52.55 54.76 2jqy s ASP 262 Cb -0.02 -2.30 0.00 0.00 -0.34 0.00 0.00 42.92 40.26 2jqy s ASP 262 CO 0.14 -0.05 0.00 -0.62 0.68 0.00 0.00 175.17 175.32 2jqy n GLU 263 N 3.96 0.00 -3.41 2.11 1.02 -1.26 -5.06 120.64 118.01 2jqy n GLU 263 Ca -0.06 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.89 2jqy n GLU 263 Cb 0.51 -0.13 0.08 0.00 -0.02 0.00 0.00 31.44 31.88 2jqy n GLU 263 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jqy n GLY 264 N 2.02 -0.35 1.90 0.62 0.00 -1.24 -4.84 105.19 103.29 2jqy n GLY 264 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2jqy n GLY 264 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jqy n ASP 265 N -2.77 0.00 -0.05 1.61 2.03 -1.26 -4.96 116.55 111.15 2jqy n ASP 265 Ca -0.12 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.13 2jqy n ASP 265 Cb 0.60 0.21 -0.07 0.00 -0.72 0.00 0.00 41.12 41.14 2jqy n ASP 265 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jqy n SER 266 N -2.45 2.66 -4.26 1.67 7.64 -1.26 -4.99 113.62 112.63 2jqy n SER 266 Ca 0.00 -0.01 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 2jqy n SER 266 Cb 0.00 0.55 -0.16 0.00 -1.01 0.00 0.00 64.21 63.59 2jqy n SER 266 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jqy s ASP 267 N -4.41 3.01 0.29 6.43 2.15 -1.26 -5.14 116.67 117.73 2jqy s ASP 267 Ca -0.07 -0.50 0.02 0.00 0.43 0.00 0.00 52.55 52.43 2jqy s ASP 267 Cb 0.03 -0.80 -0.03 0.00 -0.30 0.00 0.00 42.92 41.82 2jqy s ASP 267 CO 0.38 0.24 0.46 -0.75 -0.17 0.00 0.00 175.17 175.33 2jqy s LYS 268 N -0.17 3.48 -0.09 4.34 2.47 -1.26 -3.62 119.74 124.88 2jqy s LYS 268 Ca -0.03 -0.47 0.03 0.00 -1.56 0.00 0.00 55.97 53.94 2jqy s LYS 268 Cb -0.13 -2.77 0.01 0.00 -1.46 0.00 0.00 37.83 33.48 2jqy s LYS 268 CO 0.03 0.29 -0.18 -0.06 0.16 0.00 0.00 175.35 175.59 2jqy s PHE 269 N -2.13 2.05 -0.01 4.03 0.08 -1.26 -5.03 117.98 115.71 2jqy s PHE 269 Ca 0.38 -0.85 -0.25 0.00 0.12 0.00 0.00 56.93 56.33 2jqy s PHE 269 Cb -0.10 -1.42 -0.19 0.00 -0.57 0.00 0.00 43.02 40.74 2jqy s PHE 269 CO 0.32 -0.38 1.27 0.45 -0.10 0.00 0.00 175.22 176.78 2jqy h HIS 270 N 6.95 0.10 0.00 0.36 3.86 -1.94 -3.46 115.15 121.01 2jqy h HIS 270 Ca -0.26 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2jqy h HIS 270 Cb 1.21 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2jqy h HIS 270 CO 0.48 0.57 0.00 0.66 0.86 0.00 0.00 177.93 180.50 2jqy n TYR 271 N -4.77 0.00 -3.15 2.45 4.02 -1.26 -4.17 117.16 110.28 2jqy n TYR 271 Ca -0.08 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.86 2jqy n TYR 271 Cb 0.29 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.60 2jqy n TYR 271 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jqy s ALA 272 N -0.68 -3.04 -0.16 -0.72 0.00 -1.26 -4.76 121.76 111.14 2jqy s ALA 272 Ca 0.00 1.42 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 2jqy s ALA 272 Cb 0.00 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.61 2jqy s ALA 272 CO 0.00 -1.67 1.01 0.20 0.00 0.00 0.00 175.76 175.30 2jqy s GLY 273 N 2.90 2.09 -0.19 0.00 0.00 -0.88 -4.34 107.32 106.90 2jqy s GLY 273 Ca 0.14 0.28 -0.04 0.00 0.00 0.00 0.00 44.72 45.10 2jqy s GLY 273 CO -0.20 2.01 -0.04 -1.34 0.00 0.00 0.00 173.10 173.53 2jqy s VAL 274 N 2.48 3.60 -0.10 1.40 -7.23 -1.13 -0.95 120.40 118.47 2jqy s VAL 274 Ca 0.46 -0.44 0.03 0.00 -1.81 0.00 0.00 61.98 60.23 2jqy s VAL 274 Cb -0.17 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 2jqy s VAL 274 CO 0.13 0.45 -0.20 -0.83 -0.31 0.00 0.00 175.10 174.34 2jqy s GLY 275 N 0.97 1.40 -0.12 2.32 0.00 -0.37 -2.66 107.32 108.86 2jqy s GLY 275 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.77 2jqy s GLY 275 CO 0.01 -0.39 -0.13 -1.34 0.00 0.00 0.00 173.10 171.25 2jqy s VAL 276 N 0.16 1.40 0.17 1.40 -7.23 -0.15 -1.73 120.40 114.43 2jqy s VAL 276 Ca -0.11 -0.56 0.08 0.00 -1.81 0.00 0.00 61.98 59.58 2jqy s VAL 276 Cb -0.16 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 2jqy s VAL 276 CO 0.06 0.43 -0.17 0.21 -0.31 0.00 0.00 175.10 175.32 2jqy s ASN 277 N 1.25 2.63 0.05 4.85 2.47 0.43 -0.12 114.94 126.50 2jqy s ASN 277 Ca -0.01 -0.90 -0.13 0.00 0.42 0.00 0.00 52.86 52.23 2jqy s ASN 277 Cb -0.14 -0.15 0.02 0.00 -1.45 0.00 0.00 41.25 39.53 2jqy s ASN 277 CO -0.05 -0.07 0.30 -0.31 -3.72 0.00 0.00 177.10 173.24 2jqy s TYR 278 N -2.29 -0.09 0.04 0.43 2.02 0.25 -1.67 117.35 116.04 2jqy s TYR 278 Ca 0.17 -0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 2jqy s TYR 278 Cb -0.04 0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.57 2jqy s TYR 278 CO 0.07 -0.51 -0.01 -1.12 -1.57 0.00 0.00 175.55 172.40 2jqy s SER 279 N -2.14 4.97 0.00 2.29 0.01 -0.50 -0.42 113.70 117.90 2jqy s SER 279 Ca -0.04 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2jqy s SER 279 Cb -0.00 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 65.01 2jqy s SER 279 CO -0.04 0.23 0.36 0.33 0.41 0.00 0.00 173.24 174.53