#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqy n GLU 2 N 0.00 -0.17 -2.69 3.49 -0.58 -1.26 -4.80 120.64 114.63 2jqy n GLU 2 Ca 0.00 0.11 -0.03 0.00 -0.42 0.00 0.00 57.16 56.82 2jqy n GLU 2 Cb 0.00 -0.21 0.12 0.00 -0.57 0.00 0.00 31.44 30.78 2jqy n GLU 2 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2jqy n ARG 3 N -2.09 1.35 -1.79 3.49 0.63 -1.26 -4.94 116.66 112.04 2jqy n ARG 3 Ca 0.00 -1.53 0.02 0.00 -0.92 0.00 0.00 57.85 55.41 2jqy n ARG 3 Cb 0.04 0.16 0.02 0.00 0.45 0.00 0.00 32.46 33.13 2jqy n ARG 3 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2jqy n ASN 4 N -1.25 0.85 -2.82 6.15 0.23 -1.26 -4.92 115.26 112.24 2jqy n ASN 4 Ca -0.12 -2.01 -0.37 0.00 -0.53 0.00 0.00 54.58 51.54 2jqy n ASN 4 Cb 0.87 -0.25 0.03 0.00 -2.08 0.00 0.00 39.78 38.35 2jqy n ASN 4 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2jqy n ASP 5 N 0.13 7.00 -3.10 0.53 9.92 -1.26 -4.68 116.55 125.09 2jqy n ASP 5 Ca 0.02 -3.82 0.01 0.00 -0.53 0.00 0.00 54.79 50.48 2jqy n ASP 5 Cb 1.02 -0.95 -0.01 0.00 -0.64 0.00 0.00 41.12 40.54 2jqy n ASP 5 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2jqy s TRP 6 N -3.97 -1.38 -0.30 1.24 -0.00 0.13 -3.89 118.94 110.76 2jqy s TRP 6 Ca 0.52 0.24 -0.00 0.00 -0.00 0.00 0.00 56.10 56.85 2jqy s TRP 6 Cb 0.43 0.25 0.06 0.00 -0.00 0.00 0.00 33.47 34.22 2jqy s TRP 6 CO -0.37 -0.93 -0.00 -1.01 -0.00 0.00 0.00 176.95 174.64 2jqy s HIS 7 N 1.94 3.33 -0.04 5.86 3.76 -0.89 -4.86 115.29 124.39 2jqy s HIS 7 Ca 0.16 -2.10 -0.22 0.00 -0.15 0.00 0.00 55.06 52.75 2jqy s HIS 7 Cb -0.02 -2.22 -0.05 0.00 1.11 0.00 0.00 32.58 31.40 2jqy s HIS 7 CO -0.10 -0.85 0.63 0.12 -0.85 0.00 0.00 174.74 173.70 2jqy s PHE 8 N 1.19 3.63 -0.09 1.40 5.36 -1.01 -2.26 117.98 126.19 2jqy s PHE 8 Ca -0.04 1.20 -0.03 0.00 -0.96 0.00 0.00 56.93 57.10 2jqy s PHE 8 Cb -0.20 -2.69 0.05 0.00 -0.34 0.00 0.00 43.02 39.83 2jqy s PHE 8 CO -0.03 0.22 0.17 1.21 -1.46 0.00 0.00 175.22 175.33 2jqy s ASN 9 N 0.29 0.64 -0.16 6.13 3.84 -0.58 0.11 114.94 125.21 2jqy s ASN 9 Ca 0.33 0.36 -0.05 0.00 0.21 0.00 0.00 52.86 53.71 2jqy s ASN 9 Cb -0.18 0.31 -0.03 0.00 -0.55 0.00 0.00 41.25 40.79 2jqy s ASN 9 CO 0.17 -0.24 0.01 -0.63 -2.79 0.00 0.00 177.10 173.63 2jqy s ILE 10 N 2.21 4.36 -0.10 -5.21 1.01 -0.04 -0.82 121.20 122.61 2jqy s ILE 10 Ca 0.02 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2jqy s ILE 10 Cb -0.12 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.43 2jqy s ILE 10 CO -0.06 0.49 -0.21 -0.83 0.00 0.00 0.00 174.94 174.33 2jqy s GLY 11 N 0.23 1.21 0.21 6.18 0.00 -0.10 -0.19 107.32 114.86 2jqy s GLY 11 Ca 0.01 -0.86 0.11 0.00 0.00 0.00 0.00 44.72 43.98 2jqy s GLY 11 CO 0.02 -0.15 -0.22 0.00 0.00 0.00 0.00 173.10 172.74 2jqy s ALA 12 N 0.52 2.48 -0.13 3.20 0.00 -0.37 -1.07 121.76 126.40 2jqy s ALA 12 Ca -0.15 -1.68 -0.05 0.00 0.00 0.00 0.00 51.96 50.08 2jqy s ALA 12 Cb -0.17 -0.28 0.06 0.00 0.00 0.00 0.00 23.12 22.73 2jqy s ALA 12 CO 0.06 0.35 0.27 -1.64 0.00 0.00 0.00 175.76 174.79 2jqy s MET 13 N -2.93 0.16 0.05 0.00 -1.94 -0.39 -0.93 119.30 113.31 2jqy s MET 13 Ca 0.22 0.74 -0.03 0.00 -1.71 0.00 0.00 55.69 54.92 2jqy s MET 13 Cb -0.07 -0.03 -0.03 0.00 2.01 0.00 0.00 34.83 36.72 2jqy s MET 13 CO 0.10 -0.27 0.02 1.52 -0.01 0.00 0.00 175.02 176.38 2jqy s TYR 14 N 2.30 0.37 -0.10 -0.03 1.13 0.42 -2.58 117.35 118.87 2jqy s TYR 14 Ca -0.00 -0.81 -0.02 0.00 -1.41 0.00 0.00 57.07 54.82 2jqy s TYR 14 Cb -0.12 -0.27 -0.03 0.00 -1.10 0.00 0.00 41.96 40.44 2jqy s TYR 14 CO -0.09 -0.36 0.00 -1.21 -2.51 0.00 0.00 175.55 171.38 2jqy s GLU 15 N -3.22 3.12 -0.00 -3.49 2.02 -1.26 -0.62 118.70 115.23 2jqy s GLU 15 Ca 0.00 -0.42 -0.18 0.00 0.02 0.00 0.00 54.97 54.39 2jqy s GLU 15 Cb 0.03 -2.83 -0.06 0.00 0.10 0.00 0.00 34.13 31.37 2jqy s GLU 15 CO -0.07 0.63 0.52 0.42 0.02 0.00 0.00 175.26 176.78 2jqy s ILE 16 N -0.67 4.94 0.45 -1.63 1.01 -1.26 -4.97 121.20 119.06 2jqy s ILE 16 Ca 0.11 1.09 0.05 0.00 0.00 0.00 0.00 60.65 61.90 2jqy s ILE 16 Cb -0.12 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 2jqy s ILE 16 CO 0.02 0.48 0.05 -0.70 0.00 0.00 0.00 174.94 174.78 2jqy s GLU 17 N -0.50 2.08 -0.11 2.79 2.12 -1.26 -4.99 118.70 118.83 2jqy s GLU 17 Ca 0.28 -2.17 -0.15 0.00 0.36 0.00 0.00 54.97 53.29 2jqy s GLU 17 Cb -0.18 -1.67 -0.05 0.00 0.26 0.00 0.00 34.13 32.50 2jqy s GLU 17 CO 0.16 -0.19 0.36 1.21 -0.54 0.00 0.00 175.26 176.26 2jqy s ASN 18 N -3.82 6.58 0.97 -1.70 3.84 -1.26 -5.09 114.94 114.46 2jqy s ASN 18 Ca 0.26 0.68 -0.16 0.00 0.21 0.00 0.00 52.86 53.85 2jqy s ASN 18 Cb 0.06 -2.22 0.21 0.00 -0.55 0.00 0.00 41.25 38.75 2jqy s ASN 18 CO 0.14 0.13 1.32 0.68 -2.79 0.00 0.00 177.10 176.59 2jqy s VAL 19 N 0.12 2.00 0.22 -5.21 -7.23 -1.26 -5.02 120.40 104.02 2jqy s VAL 19 Ca 0.20 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 2jqy s VAL 19 Cb -0.14 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.82 2jqy s VAL 19 CO 0.07 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.07 2jqy n GLU 20 N -3.77 0.00 -2.17 4.82 2.13 -1.26 -5.17 120.64 115.22 2jqy n GLU 20 Ca 0.16 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.96 2jqy n GLU 20 Cb 0.59 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.30 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 -1.47 4.10 3.80 8.31 0.00 -1.26 -5.13 105.19 113.54 2jqy n GLY 21 Ca 0.00 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.47 2jqy n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jqy s TYR 22 N -1.08 3.01 -0.24 1.61 1.51 -1.26 -5.03 117.35 115.86 2jqy s TYR 22 Ca 0.00 1.54 -0.11 0.00 -1.01 0.00 0.00 57.07 57.49 2jqy s TYR 22 Cb -0.00 -3.03 -0.05 0.00 -0.11 0.00 0.00 41.96 38.77 2jqy s TYR 22 CO 0.00 -0.98 0.18 0.20 -1.11 0.00 0.00 175.55 173.85 2jqy s GLY 23 N -2.45 1.98 -0.01 0.71 0.00 -1.26 -5.01 107.32 101.27 2jqy s GLY 23 Ca 0.65 -0.90 -0.06 0.00 0.00 0.00 0.00 44.72 44.41 2jqy s GLY 23 CO 0.30 0.47 0.49 -2.09 0.00 0.00 0.00 173.10 172.27 2jqy h GLU 24 N 7.66 -0.21 -1.48 2.90 4.81 -2.05 -3.48 114.58 122.72 2jqy h GLU 24 Ca -0.37 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 58.99 2jqy h GLU 24 Cb 1.17 0.05 -0.28 0.00 0.63 0.00 0.00 28.75 30.32 2jqy h GLU 24 CO 0.64 -0.14 0.44 -0.51 -0.73 0.00 0.00 179.01 178.71 2jqy s ASP 25 N -3.55 -0.44 -0.04 1.04 1.11 -1.26 -5.10 116.67 108.42 2jqy s ASP 25 Ca -0.03 0.72 -0.04 0.00 0.18 0.00 0.00 52.55 53.38 2jqy s ASP 25 Cb 0.00 1.13 0.01 0.00 1.07 0.00 0.00 42.92 45.13 2jqy s ASP 25 CO 0.10 -0.12 0.08 0.80 1.18 0.00 0.00 175.17 177.21 2jqy n MET 26 N 3.43 -5.06 -4.06 8.23 1.56 -1.26 -5.08 117.12 114.89 2jqy n MET 26 Ca -0.18 3.70 -0.09 0.00 -0.27 0.00 0.00 57.70 60.87 2jqy n MET 26 Cb 0.57 -4.85 -0.09 0.00 2.15 0.00 0.00 33.22 31.00 2jqy n MET 26 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2jqy s ASP 27 N -0.62 0.29 0.00 6.12 2.15 -1.26 -5.07 116.67 118.28 2jqy s ASP 27 Ca -0.09 -1.02 0.00 0.00 0.43 0.00 0.00 52.55 51.87 2jqy s ASP 27 Cb 0.01 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 2jqy s ASP 27 CO 0.24 -0.72 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 2jqy n GLY 28 N -0.05 0.73 2.38 2.66 0.00 -1.26 -5.07 105.19 104.59 2jqy n GLY 28 Ca -0.09 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 -6.60 0.02 0.99 4.32 -1.26 -4.40 117.00 110.06 2jqy n LEU 29 Ca 0.00 2.79 0.00 0.00 -0.02 0.00 0.00 56.01 58.78 2jqy n LEU 29 Cb 0.00 -3.27 0.00 0.00 -1.62 0.00 0.00 43.42 38.53 2jqy n LEU 29 CO 0.00 -3.09 0.00 0.00 -1.22 0.00 0.00 177.39 173.08 2jqy n ALA 30 N 1.82 1.36 -2.70 -1.18 0.00 -1.26 -3.54 120.51 115.00 2jqy n ALA 30 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 2jqy n ALA 30 Cb 0.09 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.58 0.57 -2.25 0.00 0.00 -1.26 -4.19 120.64 110.92 2jqy n GLU 31 Ca 0.00 -1.33 -0.36 0.00 0.00 0.00 0.00 57.16 55.47 2jqy n GLU 31 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 31.44 30.69 2jqy n GLU 31 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2jqy s PRO 32 N 0.28 3.45 -0.10 5.31 0.04 -1.26 -4.83 135.00 137.89 2jqy s PRO 32 Ca 0.25 1.67 -0.18 0.00 0.04 0.00 0.00 61.00 62.78 2jqy s PRO 32 Cb 0.26 -2.11 0.04 0.00 0.04 0.00 0.00 34.50 32.73 2jqy s PRO 32 CO -0.14 -0.78 0.44 -1.12 0.04 0.00 0.00 177.00 175.43 2jqy s SER 33 N -1.65 -0.40 -0.01 6.66 0.01 -1.06 -4.23 113.70 113.02 2jqy s SER 33 Ca 0.70 0.61 -0.15 0.00 1.31 0.00 0.00 55.95 58.43 2jqy s SER 33 Cb -0.25 0.66 0.02 0.00 0.21 0.00 0.00 66.02 66.66 2jqy s SER 33 CO 0.29 -0.32 0.31 0.68 0.41 0.00 0.00 173.24 174.61 2jqy s VAL 34 N -0.49 0.06 0.06 3.43 -7.23 -1.16 -1.27 120.40 113.81 2jqy s VAL 34 Ca -0.06 -0.50 -0.09 0.00 -1.81 0.00 0.00 61.98 59.52 2jqy s VAL 34 Cb -0.03 -0.65 0.00 0.00 0.56 0.00 0.00 36.38 36.26 2jqy s VAL 34 CO 0.03 -0.27 0.19 -0.72 -0.31 0.00 0.00 175.10 174.02 2jqy s TYR 35 N -1.45 0.09 0.22 2.82 1.13 -0.23 0.30 117.35 120.23 2jqy s TYR 35 Ca -0.13 -0.39 0.10 0.00 -1.41 0.00 0.00 57.07 55.24 2jqy s TYR 35 Cb -0.05 -0.04 -0.05 0.00 -1.10 0.00 0.00 41.96 40.72 2jqy s TYR 35 CO 0.03 -0.47 -0.19 -0.06 -2.51 0.00 0.00 175.55 172.36 2jqy s PHE 36 N -3.03 2.04 -0.01 -3.49 0.08 0.11 -0.92 117.98 112.76 2jqy s PHE 36 Ca -0.01 -0.43 -0.00 0.00 0.12 0.00 0.00 56.93 56.61 2jqy s PHE 36 Cb 0.01 -0.95 0.01 0.00 -0.57 0.00 0.00 43.02 41.53 2jqy s PHE 36 CO -0.06 0.51 0.02 -0.80 -0.10 0.00 0.00 175.22 174.78 2jqy s ASN 37 N -3.13 0.02 -0.13 1.36 -0.87 0.00 -0.86 114.94 111.33 2jqy s ASN 37 Ca 0.23 0.03 -0.03 0.00 -1.57 0.00 0.00 52.86 51.52 2jqy s ASN 37 Cb -0.05 -0.01 0.05 0.00 -0.02 0.00 0.00 41.25 41.22 2jqy s ASN 37 CO 0.10 -0.05 0.06 0.00 -2.57 0.00 0.00 177.10 174.65 2jqy s ALA 38 N 0.39 0.48 -0.23 0.60 0.00 0.29 -1.52 121.76 121.77 2jqy s ALA 38 Ca -0.03 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.56 2jqy s ALA 38 Cb -0.05 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2jqy s ALA 38 CO -0.01 -0.90 0.44 0.00 0.00 0.00 0.00 175.76 175.29 2jqy s ALA 39 N 2.09 3.56 -0.41 0.00 0.00 -0.96 0.62 121.76 126.67 2jqy s ALA 39 Ca 0.03 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2jqy s ALA 39 Cb -0.15 -2.73 0.14 0.00 0.00 0.00 0.00 23.12 20.38 2jqy s ALA 39 CO -0.07 -0.50 0.24 1.21 0.00 0.00 0.00 175.76 176.65 2jqy s ASN 40 N 1.30 3.17 1.40 0.00 3.84 -0.82 0.18 114.94 124.02 2jqy s ASN 40 Ca 0.19 -2.51 0.00 0.00 0.21 0.00 0.00 52.86 50.75 2jqy s ASN 40 Cb -0.15 -0.71 0.00 0.00 -0.55 0.00 0.00 41.25 39.83 2jqy s ASN 40 CO 0.09 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 174.74 2jqy n GLY 41 N 3.65 1.87 0.81 1.21 0.00 -1.26 -2.87 105.19 108.60 2jqy n GLY 41 Ca 0.12 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 12.81 2.13 -3.61 1.61 -0.04 -1.26 -4.73 135.00 141.92 2jqy n PRO 42 Ca 0.00 -1.14 -0.25 0.00 -0.04 0.00 0.00 63.50 62.07 2jqy n PRO 42 Cb 0.00 -1.53 -0.17 0.00 -0.04 0.00 0.00 33.50 31.76 2jqy n PRO 42 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2jqy s TRP 43 N -1.65 0.14 -0.39 0.54 1.48 -1.14 -3.66 118.94 114.26 2jqy s TRP 43 Ca 0.20 -0.22 -0.13 0.00 -1.06 0.00 0.00 56.10 54.90 2jqy s TRP 43 Cb 0.13 -0.65 0.02 0.00 -1.16 0.00 0.00 33.47 31.82 2jqy s TRP 43 CO 0.09 -0.49 0.25 0.50 -4.06 0.00 0.00 176.95 173.25 2jqy s ARG 44 N 2.16 2.95 -0.01 3.25 3.52 -1.14 -1.93 118.95 127.74 2jqy s ARG 44 Ca 0.03 -1.02 -0.26 0.00 -0.13 0.00 0.00 55.73 54.35 2jqy s ARG 44 Cb -0.16 -3.84 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 2jqy s ARG 44 CO -0.09 -0.70 0.81 -1.50 -0.81 0.00 0.00 175.30 173.02 2jqy s ILE 45 N 1.62 4.88 -0.10 4.11 2.07 0.20 -2.40 121.20 131.59 2jqy s ILE 45 Ca 0.04 1.71 0.00 0.00 -1.41 0.00 0.00 60.65 60.99 2jqy s ILE 45 Cb -0.19 -4.16 0.02 0.00 0.13 0.00 0.00 42.46 38.26 2jqy s ILE 45 CO 0.08 0.26 -0.09 0.00 -1.91 0.00 0.00 174.94 173.28 2jqy s ALA 46 N 0.60 1.29 -0.30 1.50 0.00 0.11 0.10 121.76 125.08 2jqy s ALA 46 Ca 0.43 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 2jqy s ALA 46 Cb -0.20 -0.81 0.05 0.00 0.00 0.00 0.00 23.12 22.16 2jqy s ALA 46 CO 0.23 -0.27 -0.00 -0.51 0.00 0.00 0.00 175.76 175.21 2jqy s LEU 47 N 1.42 3.84 0.30 0.00 1.43 -0.04 -1.25 118.68 124.38 2jqy s LEU 47 Ca -0.00 -1.22 0.03 0.00 -1.03 0.00 0.00 54.13 51.91 2jqy s LEU 47 Cb -0.13 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 2jqy s LEU 47 CO -0.05 -0.25 0.46 0.00 0.23 0.00 0.00 176.35 176.75 2jqy s ALA 48 N 1.27 3.86 -0.27 4.21 0.00 -0.10 0.09 121.76 130.82 2jqy s ALA 48 Ca -0.05 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 2jqy s ALA 48 Cb -0.19 -1.90 0.09 0.00 0.00 0.00 0.00 23.12 21.12 2jqy s ALA 48 CO -0.01 0.07 0.10 -0.47 0.00 0.00 0.00 175.76 175.45 2jqy s TYR 49 N -2.17 0.88 -0.40 0.00 5.04 0.15 -0.90 117.35 119.95 2jqy s TYR 49 Ca 0.38 -1.11 -0.10 0.00 -2.44 0.00 0.00 57.07 53.80 2jqy s TYR 49 Cb -0.09 -1.17 0.06 0.00 0.35 0.00 0.00 41.96 41.10 2jqy s TYR 49 CO 0.33 -0.78 0.24 0.71 -1.34 0.00 0.00 175.55 174.70 2jqy s TYR 50 N 1.91 3.29 0.03 4.97 1.51 -1.09 -2.97 117.35 125.00 2jqy s TYR 50 Ca 0.07 -1.25 0.01 0.00 -1.01 0.00 0.00 57.07 54.89 2jqy s TYR 50 Cb -0.17 -2.72 -0.02 0.00 -0.11 0.00 0.00 41.96 38.94 2jqy s TYR 50 CO -0.26 -0.76 -0.05 -1.14 -1.11 0.00 0.00 175.55 172.23 2jqy s GLN 51 N 1.49 0.42 -0.02 -0.62 2.00 -1.26 -1.85 119.66 119.81 2jqy s GLN 51 Ca 0.02 -0.70 0.08 0.00 -2.00 0.00 0.00 55.36 52.76 2jqy s GLN 51 Cb -0.21 -0.07 -0.02 0.00 0.80 0.00 0.00 33.01 33.51 2jqy s GLN 51 CO 0.04 -0.01 -0.25 -1.83 -0.50 0.00 0.00 175.29 172.74 2jqy s GLU 52 N -1.61 2.13 -0.43 1.67 -1.05 -1.26 -4.34 118.70 113.81 2jqy s GLU 52 Ca -0.12 -0.91 0.05 0.00 -0.15 0.00 0.00 54.97 53.83 2jqy s GLU 52 Cb -0.09 -2.02 0.29 0.00 -0.44 0.00 0.00 34.13 31.86 2jqy s GLU 52 CO -0.01 0.53 1.10 0.41 0.95 0.00 0.00 175.26 178.24 2jqy n GLY 53 N 2.51 -0.17 3.77 -3.83 0.00 -1.26 -5.03 105.19 101.19 2jqy n GLY 53 Ca -0.16 0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 0.36 2.59 0.08 1.61 0.04 -1.26 -4.41 135.00 134.01 2jqy s PRO 54 Ca 0.25 1.26 0.02 0.00 0.04 0.00 0.00 61.00 62.57 2jqy s PRO 54 Cb 0.26 -1.93 -0.25 0.00 0.04 0.00 0.00 34.50 32.62 2jqy s PRO 54 CO -0.14 -1.40 1.15 -0.24 0.04 0.00 0.00 177.00 176.41 2jqy h VAL 55 N -0.51 1.52 -2.48 -0.36 3.04 -1.76 -3.47 116.25 112.23 2jqy h VAL 55 Ca -0.45 -3.18 -0.16 0.00 -1.01 0.00 0.00 66.70 61.89 2jqy h VAL 55 Cb 1.24 2.85 0.07 0.00 -2.01 0.00 0.00 31.29 33.44 2jqy h VAL 55 CO 0.53 0.90 0.11 0.47 -1.01 0.00 0.00 177.57 178.57 2jqy n ASP 56 N -3.41 -0.70 -4.65 3.17 9.92 -1.26 -5.08 116.55 114.54 2jqy n ASP 56 Ca -0.06 -0.98 -0.23 0.00 -0.53 0.00 0.00 54.79 52.99 2jqy n ASP 56 Cb 0.99 -0.40 -0.07 0.00 -0.64 0.00 0.00 41.12 41.00 2jqy n ASP 56 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2jqy s TYR 57 N -1.97 2.72 0.69 1.24 1.13 -1.26 -5.13 117.35 114.77 2jqy s TYR 57 Ca 0.29 -0.21 -0.11 0.00 -1.41 0.00 0.00 57.07 55.63 2jqy s TYR 57 Cb -0.02 -1.22 0.01 0.00 -1.10 0.00 0.00 41.96 39.63 2jqy s TYR 57 CO 0.21 0.60 1.07 -1.12 -2.51 0.00 0.00 175.55 173.81 2jqy s SER 58 N -3.56 5.52 0.22 -0.18 0.01 -1.26 -4.98 113.70 109.46 2jqy s SER 58 Ca 0.31 1.11 0.09 0.00 1.31 0.00 0.00 55.95 58.77 2jqy s SER 58 Cb -0.07 -1.95 0.16 0.00 0.21 0.00 0.00 66.02 64.38 2jqy s SER 58 CO 0.20 -1.28 1.50 0.00 0.41 0.00 0.00 173.24 174.06 2jqy h ALA 59 N -0.59 0.76 0.00 1.44 0.00 -2.08 -3.41 119.26 115.39 2jqy h ALA 59 Ca -0.45 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2jqy h ALA 59 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jqy h ALA 59 CO 0.63 0.91 -0.69 0.41 0.00 0.00 0.00 179.25 180.52 2jqy n GLY 60 N 0.60 0.00 3.45 0.00 0.00 -1.26 -5.05 105.19 102.93 2jqy n GLY 60 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2jqy n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqy n LYS 61 N -2.81 -7.17 0.03 1.61 4.81 -1.26 -4.96 118.16 108.41 2jqy n LYS 61 Ca 0.00 0.81 -0.01 0.00 -0.87 0.00 0.00 58.31 58.23 2jqy n LYS 61 Cb 0.34 -5.76 -0.01 0.00 0.02 0.00 0.00 35.03 29.63 2jqy n LYS 61 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2jqy h ARG 62 N -2.30 -0.08 0.00 1.64 9.65 -1.99 -3.42 114.38 117.88 2jqy h ARG 62 Ca -0.56 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.24 2jqy h ARG 62 Cb 1.34 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.93 2jqy h ARG 62 CO 0.52 -0.05 -1.40 0.41 2.80 0.00 0.00 179.97 182.24 2jqy n GLY 63 N 0.11 -0.31 1.35 2.80 0.00 -1.26 -5.07 105.19 102.81 2jqy n GLY 63 Ca -0.01 -0.12 0.18 0.00 0.00 0.00 0.00 46.02 46.07 2jqy n GLY 63 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jqy n THR 64 N -2.12 0.00 -4.28 2.61 -1.04 -1.26 -4.60 114.28 103.60 2jqy n THR 64 Ca -0.08 0.05 -0.20 0.00 -2.04 0.00 0.00 64.05 61.78 2jqy n THR 64 Cb 0.58 -0.51 -0.13 0.00 -1.82 0.00 0.00 70.33 68.46 2jqy n THR 64 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 2jqy s TRP 65 N -2.25 1.25 -0.14 -1.42 0.51 -1.26 -3.68 118.94 111.96 2jqy s TRP 65 Ca 0.00 -0.40 0.19 0.00 -2.12 0.00 0.00 56.10 53.77 2jqy s TRP 65 Cb 0.00 -0.72 -0.27 0.00 -0.81 0.00 0.00 33.47 31.67 2jqy s TRP 65 CO 0.00 0.05 0.28 1.19 -0.51 0.00 0.00 176.95 177.96 2jqy n PHE 66 N 1.61 0.11 -0.97 -1.98 3.01 -0.78 -4.92 117.46 113.54 2jqy n PHE 66 Ca -0.19 0.04 0.13 0.00 1.01 0.00 0.00 57.45 58.43 2jqy n PHE 66 Cb 0.54 -0.85 -0.04 0.00 -0.01 0.00 0.00 39.48 39.12 2jqy n PHE 66 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2jqy n ASP 67 N -2.61 -5.83 -3.69 4.37 -0.08 0.29 -4.70 116.55 104.29 2jqy n ASP 67 Ca -0.21 0.58 -0.02 0.00 -1.51 0.00 0.00 54.79 53.63 2jqy n ASP 67 Cb 0.94 -3.07 -0.01 0.00 2.34 0.00 0.00 41.12 41.32 2jqy n ASP 67 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2jqy s ARG 68 N -2.46 0.96 0.00 -0.67 0.52 -0.77 -3.78 118.95 112.74 2jqy s ARG 68 Ca 0.00 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 2jqy s ARG 68 Cb 0.00 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.79 2jqy s ARG 68 CO 0.00 -0.44 0.00 -0.35 0.02 0.00 0.00 175.30 174.53 2jqy n PRO 69 N -0.50 -0.19 -3.62 3.54 -0.04 -1.26 -2.68 135.00 130.25 2jqy n PRO 69 Ca -0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.27 2jqy n PRO 69 Cb 0.61 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.02 2jqy n PRO 69 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2jqy s GLU 70 N -2.36 1.01 0.16 0.54 2.02 -0.08 -4.09 118.70 115.90 2jqy s GLU 70 Ca 0.00 -0.42 0.09 0.00 0.02 0.00 0.00 54.97 54.66 2jqy s GLU 70 Cb 0.00 0.45 -0.04 0.00 0.10 0.00 0.00 34.13 34.64 2jqy s GLU 70 CO 0.00 -0.37 -0.20 -0.51 0.02 0.00 0.00 175.26 174.20 2jqy s LEU 71 N -2.23 2.41 -0.28 1.80 1.43 -0.86 -0.92 118.68 120.04 2jqy s LEU 71 Ca -0.03 -0.83 -0.20 0.00 -1.03 0.00 0.00 54.13 52.04 2jqy s LEU 71 Cb -0.00 -0.91 0.09 0.00 0.03 0.00 0.00 46.19 45.39 2jqy s LEU 71 CO -0.05 0.02 0.78 -0.70 0.23 0.00 0.00 176.35 176.62 2jqy s GLU 72 N -2.59 0.69 0.08 1.70 2.12 -0.38 -1.63 118.70 118.68 2jqy s GLU 72 Ca 0.15 1.01 0.06 0.00 0.36 0.00 0.00 54.97 56.55 2jqy s GLU 72 Cb -0.07 0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 2jqy s GLU 72 CO 0.07 -0.11 -0.16 0.54 -0.54 0.00 0.00 175.26 175.05 2jqy s VAL 73 N 1.01 1.29 -0.05 3.70 0.11 -0.72 0.09 120.40 125.84 2jqy s VAL 73 Ca -0.05 -1.38 0.06 0.00 -2.93 0.00 0.00 61.98 57.68 2jqy s VAL 73 Cb -0.05 -1.22 -0.02 0.00 -1.53 0.00 0.00 36.38 33.56 2jqy s VAL 73 CO -0.11 -0.18 -0.23 -1.00 -3.33 0.00 0.00 175.10 170.26 2jqy s HIS 74 N -1.25 2.46 -0.58 1.54 3.76 -1.01 -1.28 115.29 118.93 2jqy s HIS 74 Ca 0.01 -0.51 0.04 0.00 -0.15 0.00 0.00 55.06 54.44 2jqy s HIS 74 Cb -0.10 -1.58 0.14 0.00 1.11 0.00 0.00 32.58 32.16 2jqy s HIS 74 CO 0.03 -0.08 0.34 0.71 -0.85 0.00 0.00 174.74 174.89 2jqy s TYR 75 N -0.41 3.30 -0.33 1.40 2.02 0.30 -2.86 117.35 120.78 2jqy s TYR 75 Ca 0.04 -3.18 -0.18 0.00 -0.37 0.00 0.00 57.07 53.37 2jqy s TYR 75 Cb -0.12 -2.83 -0.01 0.00 -0.40 0.00 0.00 41.96 38.60 2jqy s TYR 75 CO 0.01 -0.70 0.53 -0.65 -1.57 0.00 0.00 175.55 173.17 2jqy s GLN 76 N -0.58 3.75 0.01 -0.62 -0.21 -1.24 -0.37 119.66 120.39 2jqy s GLN 76 Ca 0.19 -0.01 -0.20 0.00 0.02 0.00 0.00 55.36 55.36 2jqy s GLN 76 Cb -0.20 -3.77 -0.20 0.00 1.00 0.00 0.00 33.01 29.84 2jqy s GLN 76 CO -0.04 -0.58 1.16 0.35 -2.12 0.00 0.00 175.29 174.06 2jqy h PHE 77 N 8.35 0.52 -3.38 0.91 3.04 -1.71 -3.44 116.94 121.22 2jqy h PHE 77 Ca -0.28 -0.25 -0.21 0.00 3.98 0.00 0.00 57.97 61.21 2jqy h PHE 77 Cb 1.13 -0.07 -0.28 0.00 2.56 0.00 0.00 35.95 39.28 2jqy h PHE 77 CO 0.74 1.02 -0.58 -0.51 -2.02 0.00 0.00 178.31 176.95 2jqy s LEU 78 N -8.57 1.28 -0.53 0.59 1.43 -1.26 -5.03 118.68 106.59 2jqy s LEU 78 Ca -0.14 0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 53.05 2jqy s LEU 78 Cb 0.04 0.40 0.10 0.00 0.03 0.00 0.00 46.19 46.76 2jqy s LEU 78 CO 0.79 -0.08 0.54 -1.61 0.23 0.00 0.00 176.35 176.23 2jqy s GLU 79 N 0.40 3.02 -0.06 1.70 2.02 -1.26 -3.95 118.70 120.57 2jqy s GLU 79 Ca -0.03 -1.42 -0.22 0.00 0.02 0.00 0.00 54.97 53.32 2jqy s GLU 79 Cb -0.04 -4.23 0.05 0.00 0.10 0.00 0.00 34.13 30.01 2jqy s GLU 79 CO -0.02 -1.30 0.50 1.21 0.02 0.00 0.00 175.26 175.67 2jqy s ASN 80 N 3.25 -0.44 0.00 -0.19 2.47 -1.26 -5.03 114.94 113.74 2jqy s ASN 80 Ca 0.07 0.49 0.27 0.00 0.42 0.00 0.00 52.86 54.11 2jqy s ASN 80 Cb -0.26 0.52 1.08 0.00 -1.45 0.00 0.00 41.25 41.14 2jqy s ASN 80 CO 0.06 -0.48 1.76 0.47 -3.72 0.00 0.00 177.10 175.19 2jqy n ASP 81 N 1.34 1.36 -0.05 -4.21 9.92 -1.26 -3.63 116.55 120.03 2jqy n ASP 81 Ca -0.19 -1.49 -0.05 0.00 -0.53 0.00 0.00 54.79 52.53 2jqy n ASP 81 Cb 0.56 -0.02 -0.07 0.00 -0.64 0.00 0.00 41.12 40.96 2jqy n ASP 81 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2jqy n ASP 82 N 0.07 2.82 -3.26 -2.24 8.00 -1.26 -3.43 116.55 117.25 2jqy n ASP 82 Ca 0.19 -0.01 -0.06 0.00 0.71 0.00 0.00 54.79 55.62 2jqy n ASP 82 Cb 0.32 0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 41.94 2jqy n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jqy s PHE 83 N -2.22 -1.18 -0.07 1.24 0.08 -1.19 -2.88 117.98 111.76 2jqy s PHE 83 Ca -0.07 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 56.86 2jqy s PHE 83 Cb 0.03 0.04 -0.01 0.00 -0.57 0.00 0.00 43.02 42.51 2jqy s PHE 83 CO 0.35 -1.10 -0.24 -1.12 -0.10 0.00 0.00 175.22 173.01 2jqy s SER 84 N 1.66 3.12 -0.27 1.36 0.01 -0.33 -4.45 113.70 114.81 2jqy s SER 84 Ca 0.17 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 56.91 2jqy s SER 84 Cb -0.08 -0.98 0.08 0.00 0.21 0.00 0.00 66.02 65.25 2jqy s SER 84 CO -0.05 0.23 0.05 0.12 0.41 0.00 0.00 173.24 173.99 2jqy s PHE 85 N -0.06 1.94 0.30 2.43 5.36 -1.25 -0.47 117.98 126.22 2jqy s PHE 85 Ca -0.07 -1.70 0.03 0.00 -0.96 0.00 0.00 56.93 54.24 2jqy s PHE 85 Cb -0.15 -1.67 0.03 0.00 -0.34 0.00 0.00 43.02 40.89 2jqy s PHE 85 CO 0.05 -0.81 0.26 0.41 -1.46 0.00 0.00 175.22 173.67 2jqy n GLY 86 N 4.79 2.71 3.10 13.12 0.00 0.29 -1.79 105.19 127.41 2jqy n GLY 86 Ca -0.05 -2.23 0.01 0.00 0.00 0.00 0.00 46.02 43.75 2jqy n GLY 86 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jqy s LEU 87 N 0.00 -1.26 0.64 0.99 0.20 0.50 -1.10 118.68 118.65 2jqy s LEU 87 Ca 0.20 0.66 -0.12 0.00 0.69 0.00 0.00 54.13 55.56 2jqy s LEU 87 Cb -0.02 1.93 -0.02 0.00 -0.43 0.00 0.00 46.19 47.65 2jqy s LEU 87 CO 0.12 -0.27 1.04 -0.89 -0.29 0.00 0.00 176.35 176.06 2jqy s THR 88 N 2.79 4.38 -0.33 3.68 2.01 0.06 -0.54 115.64 127.69 2jqy s THR 88 Ca 0.18 0.82 -0.08 0.00 0.31 0.00 0.00 61.69 62.92 2jqy s THR 88 Cb -0.15 -3.65 0.19 0.00 0.01 0.00 0.00 72.50 68.91 2jqy s THR 88 CO -0.21 -0.96 1.01 -0.83 -0.69 0.00 0.00 174.62 172.94 2jqy s GLY 89 N -3.86 -1.42 0.13 4.40 0.00 -0.40 -2.66 107.32 103.50 2jqy s GLY 89 Ca 0.57 1.32 0.09 0.00 0.00 0.00 0.00 44.72 46.69 2jqy s GLY 89 CO 0.52 4.22 -0.21 -0.32 0.00 0.00 0.00 173.10 177.31 2jqy s GLY 90 N 2.12 1.35 -0.13 0.20 0.00 -0.60 -1.76 107.32 108.50 2jqy s GLY 90 Ca 0.17 -1.38 -0.03 0.00 0.00 0.00 0.00 44.72 43.48 2jqy s GLY 90 CO -0.16 -1.40 -0.01 -1.36 0.00 0.00 0.00 173.10 170.17 2jqy s PHE 91 N -1.52 3.09 -0.19 1.90 0.40 -0.65 -1.21 117.98 119.81 2jqy s PHE 91 Ca 0.11 -0.05 -0.06 0.00 -0.60 0.00 0.00 56.93 56.34 2jqy s PHE 91 Cb -0.08 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 2jqy s PHE 91 CO 0.06 0.20 0.02 1.03 0.70 0.00 0.00 175.22 177.23 2jqy s ARG 92 N -0.19 3.75 -0.26 0.44 0.52 -0.63 -2.03 118.95 120.56 2jqy s ARG 92 Ca 0.04 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 2jqy s ARG 92 Cb -0.13 -3.11 0.07 0.00 0.52 0.00 0.00 34.95 32.31 2jqy s ARG 92 CO 0.02 0.13 -0.01 -0.80 0.02 0.00 0.00 175.30 174.67 2jqy s ASN 93 N 0.71 3.88 -0.18 0.23 0.01 -1.23 -2.05 114.94 116.31 2jqy s ASN 93 Ca 0.01 -1.33 -0.05 0.00 -0.71 0.00 0.00 52.86 50.78 2jqy s ASN 93 Cb -0.14 -1.11 -0.03 0.00 0.41 0.00 0.00 41.25 40.38 2jqy s ASN 93 CO 0.02 -0.29 0.01 -0.47 -1.51 0.00 0.00 177.10 174.86 2jqy s TYR 94 N 1.43 3.10 -0.12 2.20 6.14 -1.15 -4.28 117.35 124.67 2jqy s TYR 94 Ca -0.01 -0.22 -0.04 0.00 0.64 0.00 0.00 57.07 57.44 2jqy s TYR 94 Cb -0.18 -2.04 -0.04 0.00 0.42 0.00 0.00 41.96 40.12 2jqy s TYR 94 CO -0.10 -0.04 0.04 0.20 0.64 0.00 0.00 175.55 176.29 2jqy s GLY 95 N 0.59 1.91 0.00 8.97 0.00 -1.24 -2.16 107.32 115.40 2jqy s GLY 95 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2jqy s GLY 95 CO 0.02 -0.32 0.00 1.58 0.00 0.00 0.00 173.10 174.38 2jqy n TYR 96 N 2.62 0.00 -4.30 1.90 0.18 -1.06 0.10 117.16 116.60 2jqy n TYR 96 Ca -0.18 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.42 2jqy n TYR 96 Cb 0.53 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.39 2jqy n TYR 96 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 2jqy s HIS 97 N -2.00 1.56 0.13 -3.48 2.46 -1.23 0.11 115.29 112.84 2jqy s HIS 97 Ca 0.00 -0.59 -0.09 0.00 0.47 0.00 0.00 55.06 54.85 2jqy s HIS 97 Cb 0.00 -0.77 -0.00 0.00 -0.13 0.00 0.00 32.58 31.68 2jqy s HIS 97 CO 0.00 0.25 0.24 -0.47 -2.47 0.00 0.00 174.74 172.29 2jqy s TYR 98 N -2.70 0.25 0.54 3.88 6.14 -1.26 -4.45 117.35 119.75 2jqy s TYR 98 Ca 0.17 -0.65 0.22 0.00 0.64 0.00 0.00 57.07 57.45 2jqy s TYR 98 Cb -0.02 -0.04 1.48 0.00 0.42 0.00 0.00 41.96 43.80 2jqy s TYR 98 CO 0.05 -0.64 2.18 -0.39 0.64 0.00 0.00 175.55 177.39 2jqy h VAL 99 N 2.63 0.81 -0.92 3.14 -1.51 -1.99 -1.22 116.25 117.20 2jqy h VAL 99 Ca -0.33 -0.04 -0.51 0.00 -1.23 0.00 0.00 66.70 64.59 2jqy h VAL 99 Cb 1.22 1.02 -0.28 0.00 -2.13 0.00 0.00 31.29 31.12 2jqy h VAL 99 CO 0.52 0.01 0.65 -0.67 -1.23 0.00 0.00 177.57 176.85 2jqy n ASP 100 N -4.24 4.46 -4.69 4.19 2.03 -1.26 -4.94 116.55 112.10 2jqy n ASP 100 Ca -0.03 -3.52 -0.23 0.00 0.52 0.00 0.00 54.79 51.53 2jqy n ASP 100 Cb 0.10 -0.85 -0.07 0.00 -0.72 0.00 0.00 41.12 39.58 2jqy n ASP 100 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2jqy s GLU 101 N -3.13 2.35 0.44 -0.67 2.12 -0.46 -5.02 118.70 114.33 2jqy s GLU 101 Ca 0.54 -1.46 0.20 0.00 0.36 0.00 0.00 54.97 54.61 2jqy s GLU 101 Cb 0.45 -2.18 1.16 0.00 0.26 0.00 0.00 34.13 33.82 2jqy s GLU 101 CO 0.08 0.26 1.85 -1.35 -0.54 0.00 0.00 175.26 175.56 2jqy h PRO 102 N 1.73 0.32 0.00 4.30 0.11 -1.92 -3.47 132.00 133.07 2jqy h PRO 102 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jqy h PRO 102 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2jqy h PRO 102 CO 0.62 0.21 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 2jqy n GLY 103 N -1.55 0.24 1.32 -0.55 0.00 -1.26 -5.12 105.19 98.27 2jqy n GLY 103 Ca 0.20 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2jqy n GLY 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqy n LYS 104 N 0.00 0.00 0.00 1.61 3.00 -1.26 -5.08 118.16 116.43 2jqy n LYS 104 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2jqy n LYS 104 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2jqy n LYS 104 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jqy n ASP 105 N -1.99 0.00 -3.61 3.14 8.00 -1.26 -5.12 116.55 115.71 2jqy n ASP 105 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 2jqy n ASP 105 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2jqy n ASP 105 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2jqy s THR 106 N 0.00 -0.44 0.03 -3.53 -1.32 -1.25 -3.51 115.64 105.62 2jqy s THR 106 Ca 0.00 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 2jqy s THR 106 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 2jqy s THR 106 CO 0.00 0.00 -0.19 0.00 -2.21 0.00 0.00 174.62 172.22 2jqy s ALA 107 N 2.17 2.56 -0.23 11.08 0.00 0.31 -4.63 121.76 133.02 2jqy s ALA 107 Ca -0.07 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 2jqy s ALA 107 Cb -0.07 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 2jqy s ALA 107 CO -0.18 0.57 0.17 -0.80 0.00 0.00 0.00 175.76 175.52 2jqy s ASN 108 N -1.37 6.14 -0.20 0.00 0.02 -1.24 -2.56 114.94 115.73 2jqy s ASN 108 Ca 0.14 0.15 -0.05 0.00 -1.02 0.00 0.00 52.86 52.07 2jqy s ASN 108 Cb -0.10 -2.11 -0.03 0.00 0.02 0.00 0.00 41.25 39.03 2jqy s ASN 108 CO 0.05 0.07 0.01 -0.32 0.02 0.00 0.00 177.10 176.92 2jqy s MET 109 N 1.01 3.65 0.04 -0.60 1.75 -0.92 -4.46 119.30 119.77 2jqy s MET 109 Ca 0.08 -0.50 -0.17 0.00 -1.25 0.00 0.00 55.69 53.86 2jqy s MET 109 Cb -0.13 -3.11 -0.06 0.00 2.84 0.00 0.00 34.83 34.36 2jqy s MET 109 CO 0.04 0.02 0.49 -0.65 -0.65 0.00 0.00 175.02 174.27 2jqy s GLN 110 N 0.99 4.04 -0.27 4.11 -1.52 -0.24 -2.93 119.66 123.83 2jqy s GLN 110 Ca 0.02 0.55 0.00 0.00 -1.95 0.00 0.00 55.36 53.98 2jqy s GLN 110 Cb -0.14 -3.20 0.16 0.00 -0.22 0.00 0.00 33.01 29.60 2jqy s GLN 110 CO 0.02 0.65 0.42 0.50 -0.25 0.00 0.00 175.29 176.64 2jqy s ARG 111 N -1.18 0.41 0.35 2.91 3.52 -0.87 -0.81 118.95 123.28 2jqy s ARG 111 Ca 0.27 0.37 -0.26 0.00 -0.13 0.00 0.00 55.73 55.99 2jqy s ARG 111 Cb -0.18 -0.26 -0.09 0.00 -1.56 0.00 0.00 34.95 32.86 2jqy s ARG 111 CO 0.16 -0.86 1.01 -0.46 -0.81 0.00 0.00 175.30 174.34 2jqy s TRP 112 N 2.59 3.50 -0.26 5.12 -0.00 -0.86 -1.61 118.94 127.42 2jqy s TRP 112 Ca 0.12 1.71 -0.03 0.00 -0.00 0.00 0.00 56.10 57.90 2jqy s TRP 112 Cb -0.14 -3.05 0.10 0.00 -0.00 0.00 0.00 33.47 30.38 2jqy s TRP 112 CO -0.24 -0.24 0.17 -1.59 -0.00 0.00 0.00 176.95 175.05 2jqy s LYS 113 N -2.18 0.19 0.17 5.86 -2.85 -0.35 -2.27 119.74 118.32 2jqy s LYS 113 Ca 0.53 -0.28 0.10 0.00 -1.00 0.00 0.00 55.97 55.32 2jqy s LYS 113 Cb -0.22 -1.19 -0.04 0.00 -2.06 0.00 0.00 37.83 34.33 2jqy s LYS 113 CO 0.27 -0.92 -0.23 0.96 0.10 0.00 0.00 175.35 175.54 2jqy s ILE 114 N 2.19 2.16 -0.30 3.79 -4.36 -1.12 -1.56 121.20 121.99 2jqy s ILE 114 Ca 0.08 -1.93 -0.09 0.00 -0.26 0.00 0.00 60.65 58.45 2jqy s ILE 114 Cb -0.16 -1.99 0.15 0.00 1.25 0.00 0.00 42.46 41.71 2jqy s ILE 114 CO -0.28 -0.13 0.70 0.00 0.24 0.00 0.00 174.94 175.47 2jqy s ALA 115 N -1.63 -2.23 -0.85 2.27 0.00 -1.09 0.65 121.76 118.88 2jqy s ALA 115 Ca 0.17 2.17 -0.25 0.00 0.00 0.00 0.00 51.96 54.06 2jqy s ALA 115 Cb -0.08 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 2jqy s ALA 115 CO 0.08 -1.04 1.80 -1.25 0.00 0.00 0.00 175.76 175.36 2jqy s PRO 116 N 2.83 2.78 0.22 0.00 0.04 -1.25 -0.76 135.00 138.86 2jqy s PRO 116 Ca 0.00 -0.23 -0.31 0.00 0.04 0.00 0.00 61.00 60.51 2jqy s PRO 116 Cb -0.12 -4.91 -0.11 0.00 0.04 0.00 0.00 34.50 29.40 2jqy s PRO 116 CO -0.19 -2.97 1.63 0.34 0.04 0.00 0.00 177.00 175.86 2jqy s ASP 117 N 7.27 6.44 -0.08 6.66 -1.08 -0.26 -4.20 116.67 131.43 2jqy s ASP 117 Ca 0.63 2.82 -0.00 0.00 -0.52 0.00 0.00 52.55 55.48 2jqy s ASP 117 Cb -0.07 -2.61 0.02 0.00 -1.46 0.00 0.00 42.92 38.80 2jqy s ASP 117 CO 0.03 -0.90 -0.05 0.86 0.52 0.00 0.00 175.17 175.63 2jqy s TRP 118 N 0.77 1.10 -0.15 -5.34 -0.00 -0.64 0.11 118.94 114.77 2jqy s TRP 118 Ca 0.69 -0.44 0.01 0.00 -0.00 0.00 0.00 56.10 56.37 2jqy s TRP 118 Cb -0.47 -0.98 0.02 0.00 -0.00 0.00 0.00 33.47 32.04 2jqy s TRP 118 CO 0.37 -0.37 -0.18 -0.51 -0.00 0.00 0.00 176.95 176.26 2jqy s ASP 119 N 1.51 2.91 -0.17 5.86 1.01 0.38 -1.76 116.67 126.41 2jqy s ASP 119 Ca -0.00 -0.56 -0.03 0.00 0.71 0.00 0.00 52.55 52.66 2jqy s ASP 119 Cb -0.13 -1.34 0.05 0.00 1.01 0.00 0.00 42.92 42.51 2jqy s ASP 119 CO -0.04 0.01 0.04 -0.69 0.21 0.00 0.00 175.17 174.69 2jqy s VAL 120 N 1.19 0.41 -0.24 -1.27 1.01 0.14 -1.18 120.40 120.46 2jqy s VAL 120 Ca 0.01 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2jqy s VAL 120 Cb -0.14 -0.88 0.06 0.00 0.00 0.00 0.00 36.38 35.42 2jqy s VAL 120 CO -0.08 -0.14 -0.08 -0.75 0.00 0.00 0.00 175.10 174.05 2jqy s LYS 121 N 1.92 1.90 -0.05 2.72 2.20 -1.14 -0.57 119.74 126.73 2jqy s LYS 121 Ca 0.00 -1.09 0.02 0.00 -0.36 0.00 0.00 55.97 54.54 2jqy s LYS 121 Cb -0.16 -2.67 0.06 0.00 -1.51 0.00 0.00 37.83 33.55 2jqy s LYS 121 CO -0.08 -0.56 0.64 -0.11 -0.36 0.00 0.00 175.35 174.88 2jqy n LEU 122 N 4.59 -0.20 -2.18 5.43 -0.00 -1.26 -4.55 117.00 118.83 2jqy n LEU 122 Ca -0.13 -1.29 -0.11 0.00 -0.00 0.00 0.00 56.01 54.49 2jqy n LEU 122 Cb 0.44 0.86 0.05 0.00 -0.00 0.00 0.00 43.42 44.76 2jqy n LEU 122 CO 0.19 1.09 0.11 0.41 -0.00 0.00 0.00 177.39 179.20 2jqy n THR 123 N -0.21 1.85 -2.60 1.96 -1.04 -1.26 -5.02 114.28 107.96 2jqy n THR 123 Ca -0.03 -3.43 -0.04 0.00 -2.04 0.00 0.00 64.05 58.52 2jqy n THR 123 Cb 0.55 0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 -0.62 -7.14 -3.67 8.00 8.00 -1.26 -4.18 116.55 115.67 2jqy n ASP 124 Ca 0.25 0.82 -0.22 0.00 0.71 0.00 0.00 54.79 56.35 2jqy n ASP 124 Cb 0.89 -4.76 0.04 0.00 -0.02 0.00 0.00 41.12 37.27 2jqy n ASP 124 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2jqy n ASP 125 N 0.10 -1.77 -3.56 -2.24 8.00 -1.26 -4.97 116.55 110.84 2jqy n ASP 125 Ca 0.06 -0.83 -0.23 0.00 0.71 0.00 0.00 54.79 54.49 2jqy n ASP 125 Cb 0.21 -4.07 -0.15 0.00 -0.02 0.00 0.00 41.12 37.10 2jqy n ASP 125 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jqy s LEU 126 N -6.59 0.17 -0.27 0.64 0.20 -1.26 -4.14 118.68 107.44 2jqy s LEU 126 Ca 0.06 -0.52 -0.25 0.00 0.69 0.00 0.00 54.13 54.12 2jqy s LEU 126 Cb -0.02 0.00 -0.00 0.00 -0.43 0.00 0.00 46.19 45.74 2jqy s LEU 126 CO 0.81 -0.35 0.84 -0.13 -0.29 0.00 0.00 176.35 177.23 2jqy s ARG 127 N 2.21 4.09 -0.34 1.98 1.81 -1.01 -4.05 118.95 123.65 2jqy s ARG 127 Ca 0.04 0.83 -0.09 0.00 -1.72 0.00 0.00 55.73 54.80 2jqy s ARG 127 Cb -0.16 -3.68 0.02 0.00 -0.45 0.00 0.00 34.95 30.68 2jqy s ARG 127 CO -0.13 -0.61 0.15 0.12 -0.68 0.00 0.00 175.30 174.15 2jqy s PHE 128 N 2.96 3.22 0.30 -0.53 2.19 0.26 -2.16 117.98 124.22 2jqy s PHE 128 Ca 0.35 -1.00 0.10 0.00 0.33 0.00 0.00 56.93 56.71 2jqy s PHE 128 Cb -0.15 -2.35 -0.05 0.00 -1.31 0.00 0.00 43.02 39.16 2jqy s PHE 128 CO 0.10 -0.62 -0.09 -0.80 1.83 0.00 0.00 175.22 175.64 2jqy s ASN 129 N 1.52 4.00 -0.30 6.13 -0.87 -0.01 0.26 114.94 125.66 2jqy s ASN 129 Ca 0.02 -0.94 -0.17 0.00 -1.57 0.00 0.00 52.86 50.20 2jqy s ASN 129 Cb -0.18 -0.50 0.20 0.00 -0.02 0.00 0.00 41.25 40.74 2jqy s ASN 129 CO 0.05 -0.06 1.25 -0.83 -2.57 0.00 0.00 177.10 174.94 2jqy s GLY 130 N -3.61 0.44 -0.09 0.66 0.00 -0.72 -1.63 107.32 102.37 2jqy s GLY 130 Ca 0.32 3.72 -0.09 0.00 0.00 0.00 0.00 44.72 48.67 2jqy s GLY 130 CO 0.17 3.04 0.26 0.66 0.00 0.00 0.00 173.10 177.23 2jqy s TRP 131 N 1.52 -0.27 -0.55 1.90 -2.14 -1.14 -1.63 118.94 116.63 2jqy s TRP 131 Ca -0.04 0.67 -0.14 0.00 2.66 0.00 0.00 56.10 59.25 2jqy s TRP 131 Cb -0.02 0.09 0.14 0.00 -3.10 0.00 0.00 33.47 30.58 2jqy s TRP 131 CO -0.13 -0.14 0.49 -0.51 -2.66 0.00 0.00 176.95 173.99 2jqy s LEU 132 N 0.08 6.10 -0.43 -4.66 1.02 -1.25 -1.96 118.68 117.58 2jqy s LEU 132 Ca -0.00 -1.94 -0.29 0.00 0.02 0.00 0.00 54.13 51.92 2jqy s LEU 132 Cb -0.02 -2.15 0.02 0.00 0.02 0.00 0.00 46.19 44.06 2jqy s LEU 132 CO 0.00 -0.78 1.29 -0.44 0.02 0.00 0.00 176.35 176.45 2jqy s SER 133 N 3.16 6.48 -0.10 2.29 0.01 0.32 -3.95 113.70 121.90 2jqy s SER 133 Ca 0.05 0.71 -0.17 0.00 1.31 0.00 0.00 55.95 57.86 2jqy s SER 133 Cb -0.27 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.37 2jqy s SER 133 CO 0.01 -1.33 0.43 -0.04 0.41 0.00 0.00 173.24 172.71 2jqy s MET 134 N 4.68 4.23 -0.11 12.44 1.00 0.21 0.11 119.30 141.87 2jqy s MET 134 Ca 0.55 0.38 -0.03 0.00 0.00 0.00 0.00 55.69 56.59 2jqy s MET 134 Cb -0.11 -3.39 -0.03 0.00 0.00 0.00 0.00 34.83 31.30 2jqy s MET 134 CO 0.31 0.29 0.01 0.71 0.00 0.00 0.00 175.02 176.34 2jqy s TYR 135 N 0.20 3.16 0.03 -0.03 1.51 0.20 -2.81 117.35 119.61 2jqy s TYR 135 Ca 0.24 0.10 -0.02 0.00 -1.01 0.00 0.00 57.07 56.38 2jqy s TYR 135 Cb -0.15 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 2jqy s TYR 135 CO 0.10 0.35 0.01 0.15 -1.11 0.00 0.00 175.55 175.05 2jqy s LYS 136 N -0.52 0.43 0.09 -0.62 1.02 -0.96 -2.39 119.74 116.80 2jqy s LYS 136 Ca 0.09 -0.71 0.08 0.00 0.02 0.00 0.00 55.97 55.44 2jqy s LYS 136 Cb -0.12 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.32 2jqy s LYS 136 CO 0.02 -0.09 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.11 2jqy s PHE 137 N -2.08 1.70 0.19 3.18 0.08 -1.26 -2.03 117.98 117.76 2jqy s PHE 137 Ca -0.10 -0.42 -0.19 0.00 0.12 0.00 0.00 56.93 56.34 2jqy s PHE 137 Cb -0.05 -0.94 0.04 0.00 -0.57 0.00 0.00 43.02 41.50 2jqy s PHE 137 CO -0.03 0.17 0.55 0.00 -0.10 0.00 0.00 175.22 175.81 2jqy s ALA 138 N -1.14 -1.16 0.08 5.36 0.00 0.01 -4.93 121.76 119.97 2jqy s ALA 138 Ca 0.05 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2jqy s ALA 138 Cb -0.10 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 2jqy s ALA 138 CO 0.04 -0.80 0.03 0.09 0.00 0.00 0.00 175.76 175.12 2jqy n ASN 139 N -0.35 0.72 0.13 0.00 5.03 -1.26 -1.08 115.26 118.45 2jqy n ASN 139 Ca -0.12 -1.42 0.11 0.00 0.87 0.00 0.00 54.58 54.02 2jqy n ASN 139 Cb 0.63 0.23 0.62 0.00 -1.02 0.00 0.00 39.78 40.24 2jqy n ASN 139 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 2jqy h ASP 140 N 0.33 0.08 0.00 6.41 3.58 -2.01 -3.40 116.42 121.41 2jqy h ASP 140 Ca -0.06 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2jqy h ASP 140 Cb 0.23 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2jqy h ASP 140 CO 0.09 0.06 0.00 0.18 -2.88 0.00 0.00 179.24 176.69 2jqy n LEU 141 N -4.49 -0.32 -3.58 2.28 4.77 -1.26 -5.13 117.00 109.28 2jqy n LEU 141 Ca 0.02 0.44 -0.02 0.00 -0.03 0.00 0.00 56.01 56.42 2jqy n LEU 141 Cb 0.24 0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 41.77 2jqy n LEU 141 CO 0.35 -0.71 0.52 0.20 -1.33 0.00 0.00 177.39 176.42 2jqy s ASN 142 N -4.87 -0.73 -0.03 -1.43 0.02 -1.26 -5.09 114.94 101.56 2jqy s ASN 142 Ca 0.00 1.09 -0.02 0.00 -1.02 0.00 0.00 52.86 52.92 2jqy s ASN 142 Cb 0.00 1.55 -0.01 0.00 0.02 0.00 0.00 41.25 42.82 2jqy s ASN 142 CO 0.00 -0.16 -0.04 0.41 0.02 0.00 0.00 177.10 177.33 2jqy n THR 143 N 4.46 0.26 -0.04 1.60 -1.04 -1.26 -4.87 114.28 113.38 2jqy n THR 143 Ca -0.15 0.45 -0.05 0.00 -2.04 0.00 0.00 64.05 62.25 2jqy n THR 143 Cb 0.55 -1.66 -0.05 0.00 -1.82 0.00 0.00 70.33 67.35 2jqy n THR 143 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2jqy n THR 144 N -2.70 0.53 -1.54 12.58 -2.24 -1.26 -5.04 114.28 114.61 2jqy n THR 144 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2jqy n THR 144 Cb 0.05 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 2jqy n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jqy n GLY 145 N 2.84 0.67 3.08 3.38 0.00 -1.26 -5.07 105.19 108.84 2jqy n GLY 145 Ca -0.15 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.36 0.12 0.00 1.61 4.01 -1.26 -5.11 117.16 113.18 2jqy n TYR 146 Ca 0.00 -2.41 0.00 0.00 -0.16 0.00 0.00 57.90 55.33 2jqy n TYR 146 Cb 0.37 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 2jqy n TYR 146 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jqy n ALA 147 N -1.22 -0.13 -2.51 -0.72 0.00 -1.26 -4.89 120.51 109.78 2jqy n ALA 147 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 2jqy n ALA 147 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 2jqy n ALA 147 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jqy n ASP 148 N -0.97 -5.92 -4.72 0.00 -0.08 -1.26 -4.78 116.55 98.82 2jqy n ASP 148 Ca 0.00 -0.07 -0.37 0.00 -1.51 0.00 0.00 54.79 52.84 2jqy n ASP 148 Cb 0.00 -4.89 -0.07 0.00 2.34 0.00 0.00 41.12 38.50 2jqy n ASP 148 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2jqy s THR 149 N -3.06 5.26 -0.08 5.18 2.01 -1.26 -4.63 115.64 119.06 2jqy s THR 149 Ca 0.06 0.69 0.03 0.00 0.31 0.00 0.00 61.69 62.78 2jqy s THR 149 Cb -0.03 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.79 2jqy s THR 149 CO 0.07 0.36 -0.17 -0.13 -0.69 0.00 0.00 174.62 174.07 2jqy s ARG 150 N 0.56 2.24 -0.14 4.92 0.52 -1.01 -3.68 118.95 122.36 2jqy s ARG 150 Ca 0.20 -0.60 -0.07 0.00 -0.52 0.00 0.00 55.73 54.74 2jqy s ARG 150 Cb -0.14 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 2jqy s ARG 150 CO 0.06 0.07 0.12 0.54 0.02 0.00 0.00 175.30 176.11 2jqy s VAL 151 N 0.60 5.37 -0.33 3.52 0.11 -1.12 0.62 120.40 129.17 2jqy s VAL 151 Ca -0.15 0.16 0.04 0.00 -2.93 0.00 0.00 61.98 59.10 2jqy s VAL 151 Cb -0.16 -3.36 0.10 0.00 -1.53 0.00 0.00 36.38 31.42 2jqy s VAL 151 CO 0.05 0.57 0.05 -0.70 -3.33 0.00 0.00 175.10 171.74 2jqy s GLU 152 N -0.64 1.44 -0.20 1.54 2.12 0.30 -3.15 118.70 120.11 2jqy s GLU 152 Ca 0.13 -1.79 -0.16 0.00 0.36 0.00 0.00 54.97 53.50 2jqy s GLU 152 Cb -0.12 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 2jqy s GLU 152 CO 0.02 -0.93 0.42 0.99 -0.54 0.00 0.00 175.26 175.22 2jqy s THR 153 N 0.97 5.19 -0.24 -1.70 2.01 -0.99 0.12 115.64 120.99 2jqy s THR 153 Ca 0.10 0.76 -0.03 0.00 0.31 0.00 0.00 61.69 62.83 2jqy s THR 153 Cb -0.19 -3.75 0.08 0.00 0.01 0.00 0.00 72.50 68.65 2jqy s THR 153 CO -0.09 0.25 0.08 -0.70 -0.69 0.00 0.00 174.62 173.46 2jqy s GLU 154 N 1.30 0.51 -0.48 4.92 2.12 -0.83 -1.38 118.70 124.87 2jqy s GLU 154 Ca 0.20 -0.57 -0.14 0.00 0.36 0.00 0.00 54.97 54.82 2jqy s GLU 154 Cb -0.15 -1.86 0.09 0.00 0.26 0.00 0.00 34.13 32.47 2jqy s GLU 154 CO 0.08 -0.81 0.39 0.95 -0.54 0.00 0.00 175.26 175.33 2jqy s THR 155 N 1.88 5.02 0.16 -1.70 -4.23 -1.14 -2.87 115.64 112.75 2jqy s THR 155 Ca 0.04 -1.23 -0.09 0.00 -1.18 0.00 0.00 61.69 59.23 2jqy s THR 155 Cb -0.17 -4.06 -0.06 0.00 1.34 0.00 0.00 72.50 69.55 2jqy s THR 155 CO -0.18 -0.63 0.46 -0.83 -0.54 0.00 0.00 174.62 172.90 2jqy s GLY 156 N 2.71 2.31 -0.04 3.99 0.00 -0.64 -2.18 107.32 113.46 2jqy s GLY 156 Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.39 2jqy s GLY 156 CO 0.05 -0.20 0.01 1.08 0.00 0.00 0.00 173.10 174.04 2jqy s LEU 157 N -2.43 0.81 -0.26 0.66 1.02 -0.91 -0.83 118.68 116.73 2jqy s LEU 157 Ca 0.41 -0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.51 2jqy s LEU 157 Cb -0.13 -0.25 0.02 0.00 0.02 0.00 0.00 46.19 45.85 2jqy s LEU 157 CO 0.21 -0.16 -0.01 -1.58 0.02 0.00 0.00 176.35 174.83 2jqy s GLN 158 N 1.49 2.92 -0.11 1.70 0.74 -0.92 -2.39 119.66 123.10 2jqy s GLN 158 Ca -0.03 -0.94 -0.00 0.00 0.05 0.00 0.00 55.36 54.44 2jqy s GLN 158 Cb -0.13 -3.12 0.02 0.00 1.10 0.00 0.00 33.01 30.88 2jqy s GLN 158 CO -0.03 -0.42 -0.07 -0.47 -0.55 0.00 0.00 175.29 173.76 2jqy s TYR 159 N 1.38 1.39 0.16 1.67 5.04 -1.15 -2.40 117.35 123.44 2jqy s TYR 159 Ca 0.01 -0.67 -0.24 0.00 -2.44 0.00 0.00 57.07 53.73 2jqy s TYR 159 Cb -0.17 -1.17 -0.08 0.00 0.35 0.00 0.00 41.96 40.89 2jqy s TYR 159 CO -0.02 -0.48 0.75 0.95 -1.34 0.00 0.00 175.55 175.41 2jqy s THR 160 N 1.68 4.43 0.37 4.34 -4.23 -1.26 -1.92 115.64 119.04 2jqy s THR 160 Ca 0.04 1.61 0.13 0.00 -1.18 0.00 0.00 61.69 62.28 2jqy s THR 160 Cb -0.13 -4.08 0.09 0.00 1.34 0.00 0.00 72.50 69.72 2jqy s THR 160 CO -0.07 0.50 1.82 0.15 -0.54 0.00 0.00 174.62 176.48 2jqy h PHE 161 N 4.26 0.00 0.00 3.99 3.57 -1.90 -3.37 116.94 123.49 2jqy h PHE 161 Ca -0.47 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 60.85 2jqy h PHE 161 Cb 1.21 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.81 2jqy h PHE 161 CO 0.65 0.38 -0.27 -1.71 -2.23 0.00 0.00 178.31 175.13 2jqy n ASN 162 N -4.07 -1.56 -2.81 0.41 5.15 -1.26 -5.04 115.26 106.07 2jqy n ASN 162 Ca -0.02 -2.23 -0.05 0.00 -0.60 0.00 0.00 54.58 51.68 2jqy n ASN 162 Cb 0.41 0.80 0.01 0.00 -0.53 0.00 0.00 39.78 40.47 2jqy n ASN 162 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jqy n GLU 163 N -1.07 -1.89 0.00 1.20 1.02 -1.26 -4.90 120.64 113.74 2jqy n GLU 163 Ca -0.12 1.82 0.00 0.00 -0.02 0.00 0.00 57.16 58.84 2jqy n GLU 163 Cb 0.84 -5.40 0.00 0.00 -0.02 0.00 0.00 31.44 26.87 2jqy n GLU 163 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2jqy n THR 164 N -0.76 0.00 -3.61 2.62 -2.24 -1.26 -5.10 114.28 103.93 2jqy n THR 164 Ca 0.08 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.46 2jqy n THR 164 Cb 0.45 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.57 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 4.66 0.06 2.28 1.01 -1.26 -4.35 120.40 122.81 2jqy s VAL 165 Ca 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.41 2jqy s VAL 165 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2jqy s VAL 165 CO 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 175.10 174.99 2jqy s ALA 166 N 1.60 3.19 -0.05 5.51 0.00 -1.23 -2.65 121.76 128.13 2jqy s ALA 166 Ca 0.04 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 2jqy s ALA 166 Cb -0.18 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 2jqy s ALA 166 CO 0.07 0.67 0.38 -0.51 0.00 0.00 0.00 175.76 176.37 2jqy s LEU 167 N -2.00 4.41 -0.23 0.00 1.02 -0.81 -3.38 118.68 117.68 2jqy s LEU 167 Ca 0.22 0.85 -0.07 0.00 0.02 0.00 0.00 54.13 55.15 2jqy s LEU 167 Cb -0.11 -2.54 -0.03 0.00 0.02 0.00 0.00 46.19 43.53 2jqy s LEU 167 CO 0.14 0.25 0.06 -0.13 0.02 0.00 0.00 176.35 176.70 2jqy s ARG 168 N -0.62 3.69 -0.24 1.70 0.52 0.22 -2.93 118.95 121.29 2jqy s ARG 168 Ca 0.22 -0.47 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 2jqy s ARG 168 Cb -0.16 -3.28 0.06 0.00 0.52 0.00 0.00 34.95 32.09 2jqy s ARG 168 CO 0.11 -0.11 -0.08 0.54 0.02 0.00 0.00 175.30 175.79 2jqy s VAL 169 N 1.38 1.71 -0.23 3.52 0.11 -1.00 -0.45 120.40 125.44 2jqy s VAL 169 Ca 0.05 -1.29 -0.06 0.00 -2.93 0.00 0.00 61.98 57.75 2jqy s VAL 169 Cb -0.15 -1.91 -0.02 0.00 -1.53 0.00 0.00 36.38 32.77 2jqy s VAL 169 CO 0.03 -0.04 0.03 0.20 -3.33 0.00 0.00 175.10 172.00 2jqy s ASN 170 N 1.32 4.95 -0.32 3.54 0.01 -1.11 -2.14 114.94 121.18 2jqy s ASN 170 Ca -0.06 -0.22 -0.23 0.00 -0.71 0.00 0.00 52.86 51.64 2jqy s ASN 170 Cb -0.19 -1.87 0.00 0.00 0.41 0.00 0.00 41.25 39.60 2jqy s ASN 170 CO -0.06 0.00 0.74 -0.31 -1.51 0.00 0.00 177.10 175.96 2jqy s TYR 171 N 1.39 3.18 0.12 2.20 1.51 -0.93 -1.11 117.35 123.71 2jqy s TYR 171 Ca 0.05 0.67 -0.23 0.00 -1.01 0.00 0.00 57.07 56.55 2jqy s TYR 171 Cb -0.15 -3.21 -0.07 0.00 -0.11 0.00 0.00 41.96 38.42 2jqy s TYR 171 CO 0.02 -0.59 0.71 -0.47 -1.11 0.00 0.00 175.55 174.10 2jqy s TYR 172 N 2.90 3.85 -0.29 2.71 5.04 0.06 -2.89 117.35 128.74 2jqy s TYR 172 Ca 0.30 1.49 -0.03 0.00 -2.44 0.00 0.00 57.07 56.39 2jqy s TYR 172 Cb -0.14 -2.69 0.11 0.00 0.35 0.00 0.00 41.96 39.59 2jqy s TYR 172 CO 0.14 0.50 0.18 -1.17 -1.34 0.00 0.00 175.55 173.86 2jqy s LEU 173 N -0.98 0.31 -0.16 6.97 0.20 -0.48 -1.95 118.68 122.60 2jqy s LEU 173 Ca 0.34 -1.11 -0.13 0.00 0.69 0.00 0.00 54.13 53.92 2jqy s LEU 173 Cb -0.22 -0.10 -0.05 0.00 -0.43 0.00 0.00 46.19 45.39 2jqy s LEU 173 CO 0.23 -0.42 0.26 -0.70 -0.29 0.00 0.00 176.35 175.44 2jqy s GLU 174 N 2.18 4.18 0.04 1.98 2.12 -0.57 -2.34 118.70 126.29 2jqy s GLU 174 Ca 0.09 0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.46 2jqy s GLU 174 Cb -0.15 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 2jqy s GLU 174 CO -0.35 0.30 -0.03 1.03 -0.54 0.00 0.00 175.26 175.67 2jqy s ARG 175 N 0.30 0.47 0.22 4.30 0.52 -1.19 -2.21 118.95 121.35 2jqy s ARG 175 Ca 0.15 -0.92 0.02 0.00 -0.52 0.00 0.00 55.73 54.46 2jqy s ARG 175 Cb -0.13 0.16 -0.05 0.00 0.52 0.00 0.00 34.95 35.46 2jqy s ARG 175 CO 0.03 -0.08 0.05 0.20 0.02 0.00 0.00 175.30 175.52 2jqy s GLY 176 N -2.21 1.48 -0.22 -3.53 0.00 -1.26 -2.80 107.32 98.78 2jqy s GLY 176 Ca -0.04 -1.73 -0.05 0.00 0.00 0.00 0.00 44.72 42.89 2jqy s GLY 176 CO -0.06 -1.56 0.00 -0.12 0.00 0.00 0.00 173.10 171.36 2jqy s PHE 177 N -3.70 3.01 -0.06 1.90 2.19 -1.24 -5.06 117.98 115.02 2jqy s PHE 177 Ca 0.31 -0.65 0.03 0.00 0.33 0.00 0.00 56.93 56.95 2jqy s PHE 177 Cb 0.07 -2.13 0.01 0.00 -1.31 0.00 0.00 43.02 39.65 2jqy s PHE 177 CO 0.09 -0.40 -0.14 -0.80 1.83 0.00 0.00 175.22 175.79 2jqy s ASN 178 N 1.37 1.93 -0.19 6.13 -0.87 -1.26 -4.73 114.94 117.32 2jqy s ASN 178 Ca 0.05 -0.32 0.01 0.00 -1.57 0.00 0.00 52.86 51.02 2jqy s ASN 178 Cb -0.15 -0.75 0.03 0.00 -0.02 0.00 0.00 41.25 40.36 2jqy s ASN 178 CO 0.00 0.08 -0.18 -0.32 -2.57 0.00 0.00 177.10 174.11 2jqy s MET 179 N 0.40 2.83 0.47 -0.60 -2.45 -1.26 -5.05 119.30 113.63 2jqy s MET 179 Ca -0.10 -0.87 0.03 0.00 -1.25 0.00 0.00 55.69 53.49 2jqy s MET 179 Cb -0.14 -2.57 -0.01 0.00 1.25 0.00 0.00 34.83 33.36 2jqy s MET 179 CO 0.03 -0.26 0.10 0.34 1.05 0.00 0.00 175.02 176.28 2jqy s ASP 180 N 1.28 3.39 -0.12 1.11 -1.08 -1.26 -5.07 116.67 114.93 2jqy s ASP 180 Ca 0.03 -1.74 -0.28 0.00 -0.52 0.00 0.00 52.55 50.05 2jqy s ASP 180 Cb -0.14 0.66 -0.25 0.00 -1.46 0.00 0.00 42.92 41.73 2jqy s ASP 180 CO -0.12 -0.98 0.85 -0.78 0.52 0.00 0.00 175.17 174.67 2jqy h ASP 181 N 1.54 -0.00 0.00 -0.34 3.58 -2.03 -3.45 116.42 115.71 2jqy h ASP 181 Ca -0.37 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.19 2jqy h ASP 181 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2jqy h ASP 181 CO 0.60 0.89 0.00 -1.20 -2.88 0.00 0.00 179.24 176.66 2jqy n SER 182 N -4.66 0.50 -3.67 2.28 7.64 -1.26 -5.10 113.62 109.34 2jqy n SER 182 Ca -0.10 0.07 -0.08 0.00 1.01 0.00 0.00 58.87 59.77 2jqy n SER 182 Cb 0.43 -0.14 -0.09 0.00 -1.01 0.00 0.00 64.21 63.40 2jqy n SER 182 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2jqy s ARG 183 N -1.47 0.48 0.44 1.43 3.52 -1.26 -5.02 118.95 117.06 2jqy s ARG 183 Ca 0.00 1.00 0.29 0.00 -0.13 0.00 0.00 55.73 56.89 2jqy s ARG 183 Cb 0.00 0.15 1.07 0.00 -1.56 0.00 0.00 34.95 34.61 2jqy s ARG 183 CO 0.00 -0.18 1.84 -2.95 -0.81 0.00 0.00 175.30 173.21 2jqy h ASN 184 N 7.34 0.00 -5.40 -2.12 -1.07 -1.97 -3.47 115.58 108.89 2jqy h ASN 184 Ca -0.30 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 55.71 2jqy h ASN 184 Cb 1.18 0.00 0.13 0.00 -2.07 0.00 0.00 38.32 37.56 2jqy h ASN 184 CO 0.22 0.00 -0.63 0.59 0.07 0.00 0.00 177.43 177.68 2jqy n ASN 185 N -2.82 -5.57 -2.70 6.14 3.02 -1.26 -4.93 115.26 107.15 2jqy n ASN 185 Ca 0.02 -0.50 -0.06 0.00 -0.03 0.00 0.00 54.58 54.01 2jqy n ASN 185 Cb 0.33 -4.64 0.09 0.00 -0.61 0.00 0.00 39.78 34.95 2jqy n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqy n GLY 186 N -1.80 -0.64 3.37 7.41 0.00 -1.26 -5.13 105.19 107.14 2jqy n GLY 186 Ca -0.02 0.51 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 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 0.24 3.47 0.10 1.61 0.41 -1.26 -5.07 118.70 118.19 2jqy s GLU 187 Ca 0.24 -0.59 -0.05 0.00 -0.41 0.00 0.00 54.97 54.16 2jqy s GLU 187 Cb 0.27 -3.02 0.02 0.00 -1.78 0.00 0.00 34.13 29.61 2jqy s GLU 187 CO -0.14 -0.10 0.26 1.19 -0.49 0.00 0.00 175.26 175.98 2jqy n PHE 188 N 4.53 -1.20 -3.73 1.61 3.72 -1.26 -5.17 117.46 115.96 2jqy n PHE 188 Ca -0.18 -0.49 -0.12 0.00 -0.05 0.00 0.00 57.45 56.61 2jqy n PHE 188 Cb 0.51 0.25 -0.13 0.00 -0.94 0.00 0.00 39.48 39.17 2jqy n PHE 188 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2jqy s SER 189 N -1.66 -0.27 -0.32 4.37 0.15 -1.26 -4.82 113.70 109.90 2jqy s SER 189 Ca 0.05 0.54 -0.29 0.00 0.70 0.00 0.00 55.95 56.95 2jqy s SER 189 Cb -0.01 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 2jqy s SER 189 CO 0.03 -0.17 1.13 -0.89 1.20 0.00 0.00 173.24 174.54 2jqy s THR 190 N 1.28 4.41 -0.36 6.45 2.01 -0.94 -4.93 115.64 123.56 2jqy s THR 190 Ca -0.09 1.62 -0.09 0.00 0.31 0.00 0.00 61.69 63.44 2jqy s THR 190 Cb -0.10 -4.36 0.03 0.00 0.01 0.00 0.00 72.50 68.08 2jqy s THR 190 CO -0.09 -0.49 0.15 -1.58 -0.69 0.00 0.00 174.62 171.92 2jqy s GLN 191 N 3.79 2.71 0.34 4.92 -0.44 -1.26 -1.51 119.66 128.20 2jqy s GLN 191 Ca 0.48 -1.14 0.09 0.00 -2.50 0.00 0.00 55.36 52.29 2jqy s GLN 191 Cb -0.13 -3.59 -0.05 0.00 -1.64 0.00 0.00 33.01 27.60 2jqy s GLN 191 CO 0.18 -0.69 0.09 -2.00 0.50 0.00 0.00 175.29 173.37 2jqy s GLU 192 N 1.47 2.26 -0.03 1.67 -6.30 -0.82 -4.98 118.70 111.97 2jqy s GLU 192 Ca -0.00 -1.63 0.04 0.00 -2.50 0.00 0.00 54.97 50.88 2jqy s GLU 192 Cb -0.19 -2.08 -0.00 0.00 0.00 0.00 0.00 34.13 31.86 2jqy s GLU 192 CO 0.05 0.12 -0.13 -1.50 0.02 0.00 0.00 175.26 173.81 2jqy s ILE 193 N -2.46 1.10 0.15 -3.70 2.07 -1.26 -0.76 121.20 116.34 2jqy s ILE 193 Ca 0.36 -0.56 0.10 0.00 -1.41 0.00 0.00 60.65 59.15 2jqy s ILE 193 Cb -0.02 -0.94 -0.04 0.00 0.13 0.00 0.00 42.46 41.59 2jqy s ILE 193 CO 0.21 0.32 -0.22 -0.13 -1.91 0.00 0.00 174.94 173.22 2jqy s ARG 194 N -0.05 1.62 -0.03 3.50 1.81 -0.27 -4.76 118.95 120.76 2jqy s ARG 194 Ca -0.00 -1.35 0.01 0.00 -1.72 0.00 0.00 55.73 52.67 2jqy s ARG 194 Cb -0.08 -1.97 0.02 0.00 -0.45 0.00 0.00 34.95 32.47 2jqy s ARG 194 CO 0.01 0.44 -0.02 0.00 -0.68 0.00 0.00 175.30 175.04 2jqy s ALA 195 N -1.36 0.40 -0.03 2.13 0.00 0.31 -2.76 121.76 120.46 2jqy s ALA 195 Ca 0.18 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 2jqy s ALA 195 Cb -0.09 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2jqy s ALA 195 CO 0.09 -0.01 0.06 0.71 0.00 0.00 0.00 175.76 176.62 2jqy s TYR 196 N 0.69 -0.06 -0.89 0.00 1.51 0.41 0.13 117.35 119.13 2jqy s TYR 196 Ca -0.08 0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 56.16 2jqy s TYR 196 Cb -0.11 -0.02 0.25 0.00 -0.11 0.00 0.00 41.96 41.97 2jqy s TYR 196 CO -0.01 -0.05 0.97 -0.11 -1.11 0.00 0.00 175.55 175.24 2jqy n LEU 197 N 3.32 4.73 -4.62 -1.29 7.94 -1.26 0.69 117.00 126.51 2jqy n LEU 197 Ca -0.16 -5.23 -0.43 0.00 -1.11 0.00 0.00 56.01 49.09 2jqy n LEU 197 Cb 0.58 -1.05 -0.02 0.00 0.53 0.00 0.00 43.42 43.45 2jqy n LEU 197 CO 0.23 1.71 1.22 -2.16 -1.11 0.00 0.00 177.39 177.28 2jqy s PRO 198 N -2.02 3.79 0.21 1.96 0.04 -1.22 -4.25 135.00 133.51 2jqy s PRO 198 Ca 0.32 1.28 0.09 0.00 0.04 0.00 0.00 61.00 62.72 2jqy s PRO 198 Cb 0.01 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 2jqy s PRO 198 CO -0.04 -1.28 -0.07 -0.51 0.04 0.00 0.00 177.00 175.14 2jqy s LEU 199 N 4.87 3.02 0.04 -3.56 1.02 0.10 -3.49 118.68 120.69 2jqy s LEU 199 Ca 0.61 -0.61 0.01 0.00 0.02 0.00 0.00 54.13 54.17 2jqy s LEU 199 Cb -0.18 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 2jqy s LEU 199 CO 0.27 0.08 -0.05 -0.89 0.02 0.00 0.00 176.35 175.77 2jqy s THR 200 N -1.89 0.36 -0.36 5.49 2.01 -1.26 -0.52 115.64 119.47 2jqy s THR 200 Ca 0.27 -1.28 0.01 0.00 0.31 0.00 0.00 61.69 61.00 2jqy s THR 200 Cb -0.08 -0.81 0.14 0.00 0.01 0.00 0.00 72.50 71.76 2jqy s THR 200 CO 0.16 -0.60 0.27 -0.22 -0.69 0.00 0.00 174.62 173.54 2jqy s LEU 201 N -1.99 0.56 0.00 4.42 2.96 0.18 -4.92 118.68 119.88 2jqy s LEU 201 Ca -0.06 -1.93 0.00 0.00 -0.22 0.00 0.00 54.13 51.93 2jqy s LEU 201 Cb -0.05 -0.02 0.00 0.00 0.50 0.00 0.00 46.19 46.62 2jqy s LEU 201 CO -0.03 -0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 2jqy n GLY 202 N 4.16 0.26 0.78 7.98 0.00 -1.26 -1.27 105.19 115.84 2jqy n GLY 202 Ca 0.11 0.75 0.03 0.00 0.00 0.00 0.00 46.02 46.91 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 2.10 2.03 -3.94 1.61 2.85 -1.26 -4.98 115.26 113.67 2jqy n ASN 203 Ca 0.00 -3.82 -0.21 0.00 -0.11 0.00 0.00 54.58 50.44 2jqy n ASN 203 Cb 0.00 -0.56 -0.16 0.00 1.24 0.00 0.00 39.78 40.29 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 -3.22 0.96 -0.13 1.20 2.46 -0.39 -4.25 115.29 111.91 2jqy s HIS 204 Ca 0.40 -0.30 -0.00 0.00 0.47 0.00 0.00 55.06 55.63 2jqy s HIS 204 Cb 0.38 -0.78 0.03 0.00 -0.13 0.00 0.00 32.58 32.08 2jqy s HIS 204 CO -0.04 -0.21 -0.09 -1.12 -2.47 0.00 0.00 174.74 170.81 2jqy s SER 205 N 0.78 2.45 -0.10 9.88 0.01 -0.86 0.49 113.70 126.35 2jqy s SER 205 Ca -0.12 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.73 2jqy s SER 205 Cb -0.15 -0.95 0.01 0.00 0.21 0.00 0.00 66.02 65.15 2jqy s SER 205 CO 0.01 -0.12 -0.16 0.68 0.41 0.00 0.00 173.24 174.06 2jqy s VAL 206 N 1.63 1.54 -0.26 3.43 -7.23 0.32 0.11 120.40 119.95 2jqy s VAL 206 Ca 0.04 -0.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.51 2jqy s VAL 206 Cb -0.13 -1.39 0.08 0.00 0.56 0.00 0.00 36.38 35.50 2jqy s VAL 206 CO -0.09 0.45 0.06 0.42 -0.31 0.00 0.00 175.10 175.63 2jqy s THR 207 N 0.79 0.78 0.65 5.32 -4.23 0.15 0.01 115.64 119.12 2jqy s THR 207 Ca -0.11 -1.04 -0.08 0.00 -1.18 0.00 0.00 61.69 59.28 2jqy s THR 207 Cb -0.16 -1.41 0.02 0.00 1.34 0.00 0.00 72.50 72.28 2jqy s THR 207 CO 0.01 -0.44 1.00 -2.16 -0.54 0.00 0.00 174.62 172.50 2jqy s PRO 208 N 1.70 2.83 -0.11 3.99 0.04 -1.26 -2.22 135.00 139.96 2jqy s PRO 208 Ca 0.04 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.27 2jqy s PRO 208 Cb -0.17 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 2jqy s PRO 208 CO -0.17 -0.90 -0.13 0.71 0.04 0.00 0.00 177.00 176.55 2jqy s TYR 209 N -3.18 2.79 -0.03 0.56 1.51 0.20 -4.00 117.35 115.19 2jqy s TYR 209 Ca 0.56 -0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 56.06 2jqy s TYR 209 Cb -0.11 -1.80 0.03 0.00 -0.11 0.00 0.00 41.96 39.97 2jqy s TYR 209 CO 0.48 -0.14 0.05 0.99 -1.11 0.00 0.00 175.55 175.82 2jqy s THR 210 N 0.14 -0.09 -0.04 -0.71 2.01 0.12 -2.25 115.64 114.83 2jqy s THR 210 Ca -0.07 0.34 -0.04 0.00 0.31 0.00 0.00 61.69 62.24 2jqy s THR 210 Cb -0.15 -0.12 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 2jqy s THR 210 CO 0.05 0.14 -0.08 -1.14 -0.69 0.00 0.00 174.62 172.90 2jqy n ARG 211 N 4.86 0.12 -3.64 4.92 0.63 -1.26 0.11 116.66 122.39 2jqy n ARG 211 Ca -0.13 0.05 -0.05 0.00 -0.92 0.00 0.00 57.85 56.80 2jqy n ARG 211 Cb 0.50 -0.64 -0.07 0.00 0.45 0.00 0.00 32.46 32.70 2jqy n ARG 211 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2jqy s ILE 212 N -1.48 0.00 0.00 5.15 1.10 -1.26 -4.54 121.20 120.17 2jqy s ILE 212 Ca -0.06 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.08 2jqy s ILE 212 Cb 0.01 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.62 2jqy s ILE 212 CO 0.10 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.54 2jqy n GLY 213 N 2.39 -1.60 2.73 1.50 0.00 -1.26 -5.06 105.19 103.88 2jqy n GLY 213 Ca -0.13 0.67 -0.02 0.00 0.00 0.00 0.00 46.02 46.54 2jqy n GLY 213 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jqy n LEU 214 N 0.00 -0.36 -4.46 0.99 -0.00 -1.26 -5.03 117.00 106.88 2jqy n LEU 214 Ca 0.00 -3.18 -0.43 0.00 -0.00 0.00 0.00 56.01 52.40 2jqy n LEU 214 Cb 0.00 0.23 -0.04 0.00 -0.00 0.00 0.00 43.42 43.61 2jqy n LEU 214 CO 0.00 1.49 0.75 -1.81 -0.00 0.00 0.00 177.39 177.81 2jqy s ASP 215 N -2.12 6.19 0.40 1.45 1.11 -1.26 -5.02 116.67 117.42 2jqy s ASP 215 Ca 0.16 -0.93 0.08 0.00 0.18 0.00 0.00 52.55 52.04 2jqy s ASP 215 Cb 0.40 -2.42 -0.04 0.00 1.07 0.00 0.00 42.92 41.93 2jqy s ASP 215 CO -0.09 -1.41 0.21 -0.60 1.18 0.00 0.00 175.17 174.45 2jqy s ARG 216 N 4.03 2.31 -1.14 8.23 6.06 -1.26 -4.68 118.95 132.49 2jqy s ARG 216 Ca 0.23 -1.73 -0.05 0.00 -2.50 0.00 0.00 55.73 51.68 2jqy s ARG 216 Cb -0.17 -2.09 0.01 0.00 0.06 0.00 0.00 34.95 32.76 2jqy s ARG 216 CO 0.11 -0.08 0.62 0.91 -2.50 0.00 0.00 175.30 174.36 2jqy n TRP 217 N -1.27 -1.75 -2.67 5.12 8.01 -1.26 -4.90 117.44 118.71 2jqy n TRP 217 Ca -0.01 0.53 -0.04 0.00 -1.31 0.00 0.00 57.50 56.67 2jqy n TRP 217 Cb 0.63 -3.84 0.11 0.00 -2.01 0.00 0.00 31.31 26.20 2jqy n TRP 217 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2jqy n SER 218 N -1.67 -1.41 -3.08 -0.99 2.88 -1.26 -5.17 113.62 102.92 2jqy n SER 218 Ca -0.06 -2.16 -0.18 0.00 -1.33 0.00 0.00 58.87 55.14 2jqy n SER 218 Cb 0.58 1.28 -0.07 0.00 -0.75 0.00 0.00 64.21 65.24 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 0.42 -0.37 -3.28 -3.46 2.85 -1.26 -5.11 115.26 105.04 2jqy n ASN 219 Ca -0.05 -2.96 -0.25 0.00 -0.11 0.00 0.00 54.58 51.22 2jqy n ASN 219 Cb 0.75 1.41 -0.08 0.00 1.24 0.00 0.00 39.78 43.10 2jqy n ASN 219 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 2jqy n TRP 220 N -0.60 -0.41 -1.45 1.20 2.14 -1.26 -5.10 117.44 111.95 2jqy n TRP 220 Ca 0.05 -3.49 0.07 0.00 2.07 0.00 0.00 57.50 56.20 2jqy n TRP 220 Cb 0.54 -0.14 -0.04 0.00 -0.81 0.00 0.00 31.31 30.86 2jqy n TRP 220 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 2jqy n ASP 221 N 1.92 -7.86 0.10 -0.67 9.92 -1.26 -5.03 116.55 113.68 2jqy n ASP 221 Ca 0.24 1.64 0.00 0.00 -0.53 0.00 0.00 54.79 56.14 2jqy n ASP 221 Cb 0.51 -4.81 0.00 0.00 -0.64 0.00 0.00 41.12 36.18 2jqy n ASP 221 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2jqy n TRP 222 N -3.30 -1.66 0.00 1.24 -0.00 -1.26 -5.07 117.44 107.39 2jqy n TRP 222 Ca -0.04 0.29 0.00 0.00 -0.00 0.00 0.00 57.50 57.75 2jqy n TRP 222 Cb 0.55 0.44 0.00 0.00 -0.00 0.00 0.00 31.31 32.30 2jqy n TRP 222 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2jqy n GLN 223 N -3.35 0.00 0.00 5.87 10.64 -1.26 -5.06 117.38 124.22 2jqy n GLN 223 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2jqy n GLN 223 Cb 0.02 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.40 2jqy n GLN 223 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2jqy n ASP 224 N -0.98 0.00 -3.34 2.61 -0.08 -1.26 -5.01 116.55 108.49 2jqy n ASP 224 Ca 0.00 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.04 2jqy n ASP 224 Cb 0.00 -0.06 0.04 0.00 2.34 0.00 0.00 41.12 43.44 2jqy n ASP 224 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2jqy n ASP 225 N -1.64 -5.79 -0.11 1.67 9.92 -1.26 -4.88 116.55 114.46 2jqy n ASP 225 Ca 0.00 -0.43 -0.13 0.00 -0.53 0.00 0.00 54.79 53.69 2jqy n ASP 225 Cb 0.00 -4.64 -0.14 0.00 -0.64 0.00 0.00 41.12 35.70 2jqy n ASP 225 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2jqy n ILE 226 N -4.62 1.41 -4.27 0.53 -5.35 -1.26 -5.03 119.36 100.76 2jqy n ILE 226 Ca -0.05 -0.71 -0.15 0.00 -0.27 0.00 0.00 62.75 61.57 2jqy n ILE 226 Cb 0.58 -0.90 -0.10 0.00 -1.74 0.00 0.00 39.64 37.48 2jqy n ILE 226 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2jqy s GLU 227 N -2.49 1.29 -0.06 6.28 2.56 -1.26 -5.08 118.70 119.94 2jqy s GLU 227 Ca -0.21 -1.67 0.01 0.00 0.00 0.00 0.00 54.97 53.09 2jqy s GLU 227 Cb 0.07 -0.17 -0.04 0.00 2.00 0.00 0.00 34.13 35.99 2jqy s GLU 227 CO 0.71 -0.27 -0.05 -2.13 -0.56 0.00 0.00 175.26 172.97 2jqy n ARG 228 N -0.37 0.50 -3.16 4.30 0.00 -1.26 -4.96 116.66 111.71 2jqy n ARG 228 Ca -0.02 0.03 -0.40 0.00 -0.00 0.00 0.00 57.85 57.47 2jqy n ARG 228 Cb 0.65 -1.12 -0.07 0.00 0.00 0.00 0.00 32.46 31.93 2jqy n ARG 228 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2jqy s GLU 229 N -2.12 4.14 0.00 -0.14 2.12 -1.26 -4.14 118.70 117.30 2jqy s GLU 229 Ca -0.08 0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.75 2jqy s GLU 229 Cb 0.02 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.79 2jqy s GLU 229 CO 0.15 -0.31 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 2jqy n GLY 230 N 4.06 1.94 3.09 -1.50 0.00 -1.26 -5.09 105.19 106.43 2jqy n GLY 230 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2jqy n GLY 230 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jqy s HIS 231 N -2.00 -1.44 0.44 1.61 3.76 -1.26 -5.14 115.29 111.26 2jqy s HIS 231 Ca 0.00 0.16 0.07 0.00 -0.15 0.00 0.00 55.06 55.14 2jqy s HIS 231 Cb 0.00 0.27 -0.02 0.00 1.11 0.00 0.00 32.58 33.93 2jqy s HIS 231 CO 0.00 -0.99 0.27 -0.51 -0.85 0.00 0.00 174.74 172.66 2jqy s ASP 232 N 1.80 4.62 0.86 1.40 1.01 -1.26 -5.03 116.67 120.07 2jqy s ASP 232 Ca 0.17 -1.04 -0.12 0.00 0.71 0.00 0.00 52.55 52.26 2jqy s ASP 232 Cb -0.02 -0.29 0.11 0.00 1.01 0.00 0.00 42.92 43.73 2jqy s ASP 232 CO -0.08 -0.70 1.17 0.12 0.21 0.00 0.00 175.17 175.89 2jqy s PHE 233 N -2.61 2.70 -2.16 4.23 5.36 -1.26 -4.98 117.98 119.26 2jqy s PHE 233 Ca 0.40 0.77 0.25 0.00 -0.96 0.00 0.00 56.93 57.39 2jqy s PHE 233 Cb 0.01 -3.48 0.40 0.00 -0.34 0.00 0.00 43.02 39.61 2jqy s PHE 233 CO 0.23 -2.06 1.35 0.09 -1.46 0.00 0.00 175.22 173.37 2jqy n ASN 234 N -3.53 1.80 -1.34 6.13 4.13 -1.26 -5.07 115.26 116.13 2jqy n ASN 234 Ca 0.08 -1.40 0.16 0.00 1.68 0.00 0.00 54.58 55.10 2jqy n ASN 234 Cb 0.60 0.23 -0.04 0.00 -1.54 0.00 0.00 39.78 39.04 2jqy n ASN 234 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2jqy n ARG 235 N 0.02 -2.34 0.26 3.52 3.00 -1.26 -4.51 116.66 115.36 2jqy n ARG 235 Ca 0.12 1.54 -0.11 0.00 -0.01 0.00 0.00 57.85 59.39 2jqy n ARG 235 Cb 0.44 -2.85 -0.05 0.00 0.00 0.00 0.00 32.46 30.00 2jqy n ARG 235 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2jqy h VAL 236 N -1.07 0.00 -2.83 1.55 2.07 -1.79 -3.49 116.25 110.69 2jqy h VAL 236 Ca 0.02 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.35 2jqy h VAL 236 Cb 1.06 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2jqy h VAL 236 CO 0.01 0.00 0.31 -0.83 0.02 0.00 0.00 177.57 177.08 2jqy s GLY 237 N -2.28 -0.03 -0.02 2.17 0.00 -1.12 -4.58 107.32 101.47 2jqy s GLY 237 Ca -0.10 -0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.35 2jqy s GLY 237 CO 0.30 0.03 -0.08 1.08 0.00 0.00 0.00 173.10 174.43 2jqy s LEU 238 N -2.98 1.84 -0.10 0.66 1.43 -0.11 0.60 118.68 120.03 2jqy s LEU 238 Ca 0.13 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2jqy s LEU 238 Cb -0.05 -0.50 0.02 0.00 0.03 0.00 0.00 46.19 45.70 2jqy s LEU 238 CO 0.07 0.07 -0.09 0.12 0.23 0.00 0.00 176.35 176.75 2jqy s PHE 239 N 0.09 1.48 0.18 0.29 2.19 -0.94 -2.02 117.98 119.25 2jqy s PHE 239 Ca -0.01 -0.68 0.08 0.00 0.33 0.00 0.00 56.93 56.64 2jqy s PHE 239 Cb -0.07 -1.18 -0.04 0.00 -1.31 0.00 0.00 43.02 40.42 2jqy s PHE 239 CO 0.00 -0.44 -0.03 0.71 1.83 0.00 0.00 175.22 177.29 2jqy s TYR 240 N 1.36 2.76 -0.18 10.12 1.51 -1.06 0.31 117.35 132.17 2jqy s TYR 240 Ca -0.01 -0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 2jqy s TYR 240 Cb -0.14 -1.33 0.06 0.00 -0.11 0.00 0.00 41.96 40.44 2jqy s TYR 240 CO -0.04 0.53 0.06 0.20 -1.11 0.00 0.00 175.55 175.18 2jqy s GLY 241 N -2.97 0.53 -0.22 0.71 0.00 0.31 -2.39 107.32 103.28 2jqy s GLY 241 Ca 0.27 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.51 2jqy s GLY 241 CO 0.18 1.56 -0.14 -0.47 0.00 0.00 0.00 173.10 174.23 2jqy s TYR 242 N 1.99 3.04 -0.14 1.90 5.04 0.75 -2.02 117.35 127.91 2jqy s TYR 242 Ca 0.01 -1.94 -0.29 0.00 -2.44 0.00 0.00 57.07 52.41 2jqy s TYR 242 Cb -0.16 -1.94 -0.01 0.00 0.35 0.00 0.00 41.96 40.19 2jqy s TYR 242 CO -0.08 -0.83 0.98 0.34 -1.34 0.00 0.00 175.55 174.62 2jqy s ASP 243 N 1.21 7.17 0.02 4.32 2.15 -1.26 -1.33 116.67 128.95 2jqy s ASP 243 Ca -0.02 1.44 0.21 0.00 0.43 0.00 0.00 52.55 54.61 2jqy s ASP 243 Cb -0.17 -2.53 0.87 0.00 -0.30 0.00 0.00 42.92 40.79 2jqy s ASP 243 CO -0.08 -0.47 1.66 0.49 -0.17 0.00 0.00 175.17 176.59 2jqy n PHE 244 N 5.24 0.06 -2.13 -5.34 3.01 -1.03 -4.88 117.46 112.40 2jqy n PHE 244 Ca 0.08 0.02 -0.18 0.00 1.01 0.00 0.00 57.45 58.38 2jqy n PHE 244 Cb 0.48 -0.53 -0.03 0.00 -0.01 0.00 0.00 39.48 39.39 2jqy n PHE 244 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2jqy n GLN 245 N -1.55 -1.42 -0.32 -1.08 6.02 -1.26 -4.82 117.38 112.95 2jqy n GLN 245 Ca 0.05 0.97 0.00 0.00 -0.01 0.00 0.00 57.00 58.01 2jqy n GLN 245 Cb 0.24 -5.43 0.00 0.00 1.02 0.00 0.00 30.24 26.08 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 -1.38 0.09 0.00 1.08 4.13 -1.26 -4.99 115.26 112.93 2jqy n ASN 246 Ca -0.21 -1.70 0.00 0.00 1.68 0.00 0.00 54.58 54.35 2jqy n ASN 246 Cb 0.65 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 2jqy n ASN 246 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jqy n GLY 247 N -0.04 3.27 3.81 7.41 0.00 -1.26 -5.03 105.19 113.35 2jqy n GLY 247 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 4.39 0.20 0.99 2.34 -1.26 -1.13 118.68 124.21 2jqy s LEU 248 Ca 0.00 0.77 0.05 0.00 0.06 0.00 0.00 54.13 55.01 2jqy s LEU 248 Cb 0.00 -2.47 -0.03 0.00 -0.56 0.00 0.00 46.19 43.12 2jqy s LEU 248 CO 0.00 0.25 0.27 -0.55 -1.06 0.00 0.00 176.35 175.26 2jqy s SER 249 N -0.54 6.02 -0.11 1.48 0.15 -0.29 -2.47 113.70 117.95 2jqy s SER 249 Ca 0.21 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2jqy s SER 249 Cb -0.15 -1.71 0.02 0.00 -1.71 0.00 0.00 66.02 62.47 2jqy s SER 249 CO 0.10 -0.00 -0.09 -0.69 1.20 0.00 0.00 173.24 173.75 2jqy s VAL 250 N -1.90 1.09 -0.05 4.45 1.01 -0.44 -1.26 120.40 123.31 2jqy s VAL 250 Ca 0.33 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2jqy s VAL 250 Cb -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2jqy s VAL 250 CO 0.27 0.37 -0.16 -0.44 0.00 0.00 0.00 175.10 175.15 2jqy s SER 251 N 1.46 2.02 0.30 3.32 0.01 0.12 -0.18 113.70 120.74 2jqy s SER 251 Ca 0.01 -0.33 0.10 0.00 1.31 0.00 0.00 55.95 57.04 2jqy s SER 251 Cb -0.13 -0.63 -0.05 0.00 0.21 0.00 0.00 66.02 65.42 2jqy s SER 251 CO -0.06 0.12 -0.04 -0.76 0.41 0.00 0.00 173.24 172.92 2jqy s LEU 252 N 0.17 2.99 -0.30 2.44 1.02 -1.01 0.64 118.68 124.64 2jqy s LEU 252 Ca -0.06 -0.85 -0.03 0.00 0.02 0.00 0.00 54.13 53.20 2jqy s LEU 252 Cb -0.12 -1.46 0.10 0.00 0.02 0.00 0.00 46.19 44.74 2jqy s LEU 252 CO 0.02 -0.08 0.13 -1.61 0.02 0.00 0.00 176.35 174.84 2jqy s GLU 253 N -3.66 0.26 -0.02 1.70 0.41 -0.74 -2.55 118.70 114.12 2jqy s GLU 253 Ca 0.32 -0.64 -0.03 0.00 -0.41 0.00 0.00 54.97 54.22 2jqy s GLU 253 Cb -0.04 -1.25 -0.04 0.00 -1.78 0.00 0.00 34.13 31.03 2jqy s GLU 253 CO 0.19 -1.03 0.17 -0.47 -0.49 0.00 0.00 175.26 173.63 2jqy s TYR 254 N 1.98 3.54 -0.38 1.61 6.14 -0.86 -2.43 117.35 126.95 2jqy s TYR 254 Ca 0.10 0.36 -0.11 0.00 0.64 0.00 0.00 57.07 58.06 2jqy s TYR 254 Cb -0.17 -1.83 0.01 0.00 0.42 0.00 0.00 41.96 40.39 2jqy s TYR 254 CO -0.33 0.65 0.41 0.00 0.64 0.00 0.00 175.55 176.92 2jqy n ALA 255 N 1.03 -3.15 -1.89 3.97 0.00 -1.26 -0.93 120.51 118.28 2jqy n ALA 255 Ca -0.12 0.96 -0.01 0.00 0.00 0.00 0.00 53.44 54.27 2jqy n ALA 255 Cb 0.53 -2.90 0.13 0.00 0.00 0.00 0.00 19.45 17.21 2jqy n ALA 255 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jqy n PHE 256 N -0.02 0.69 -2.70 0.00 7.35 -1.03 -3.98 117.46 117.77 2jqy n PHE 256 Ca 0.08 -1.56 -0.32 0.00 -0.76 0.00 0.00 57.45 54.89 2jqy n PHE 256 Cb 0.32 -0.26 -0.05 0.00 0.35 0.00 0.00 39.48 39.84 2jqy n PHE 256 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2jqy s GLU 257 N -2.90 4.07 -0.15 -4.13 8.01 -1.26 -4.90 118.70 117.43 2jqy s GLU 257 Ca 0.40 0.96 -0.04 0.00 0.01 0.00 0.00 54.97 56.30 2jqy s GLU 257 Cb 0.38 -2.21 -0.03 0.00 -4.31 0.00 0.00 34.13 27.96 2jqy s GLU 257 CO -0.06 -0.10 -0.01 -1.58 0.01 0.00 0.00 175.26 173.52 2jqy s TRP 258 N -2.34 3.08 -1.13 1.61 0.52 -1.26 -5.03 118.94 114.39 2jqy s TRP 258 Ca 0.59 -0.16 -0.22 0.00 0.02 0.00 0.00 56.10 56.33 2jqy s TRP 258 Cb -0.10 -1.96 -0.01 0.00 -1.15 0.00 0.00 33.47 30.26 2jqy s TRP 258 CO 0.22 0.07 1.79 -1.14 0.02 0.00 0.00 176.95 177.90 2jqy s GLN 259 N 0.19 3.15 -0.18 4.98 0.74 -1.26 -4.93 119.66 122.35 2jqy s GLN 259 Ca -0.00 -1.22 -0.05 0.00 0.05 0.00 0.00 55.36 54.14 2jqy s GLN 259 Cb -0.13 -5.31 -0.03 0.00 1.10 0.00 0.00 33.01 28.63 2jqy s GLN 259 CO 0.02 -3.02 -0.01 0.16 -0.55 0.00 0.00 175.29 171.90 2jqy s ASP 260 N 5.86 4.94 -0.68 6.67 -4.77 -1.26 -5.06 116.67 122.37 2jqy s ASP 260 Ca 0.60 -0.13 -0.21 0.00 -3.30 0.00 0.00 52.55 49.51 2jqy s ASP 260 Cb -0.00 -1.83 0.09 0.00 -1.09 0.00 0.00 42.92 40.09 2jqy s ASP 260 CO 0.04 0.13 0.91 -2.28 0.70 0.00 0.00 175.17 174.67 2jqy s HIS 261 N 0.64 2.84 -0.13 2.11 2.46 -1.26 -4.79 115.29 117.15 2jqy s HIS 261 Ca -0.01 -0.80 -0.07 0.00 0.47 0.00 0.00 55.06 54.66 2jqy s HIS 261 Cb -0.14 -4.21 -0.06 0.00 -0.13 0.00 0.00 32.58 28.05 2jqy s HIS 261 CO 0.02 -1.52 -0.17 -0.25 -2.47 0.00 0.00 174.74 170.35 2jqy n ASP 262 N 7.12 0.94 0.00 9.88 8.00 -1.26 -5.03 116.55 136.20 2jqy n ASP 262 Ca -0.02 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.65 2jqy n ASP 262 Cb 0.45 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2jqy n ASP 262 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2jqy n GLU 263 N -3.60 0.00 0.00 -1.24 2.13 -1.26 -5.05 120.64 111.62 2jqy n GLU 263 Ca -0.26 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.56 2jqy n GLU 263 Cb 0.69 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.40 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 -1.47 0.38 2.55 8.31 0.00 -1.26 -5.08 105.19 108.62 2jqy n GLY 264 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.42 -2.28 1.61 8.00 -1.26 -4.89 116.55 116.31 2jqy n ASP 265 Ca 0.00 1.29 -0.30 0.00 0.71 0.00 0.00 54.79 56.49 2jqy n ASP 265 Cb 0.00 -5.06 0.12 0.00 -0.02 0.00 0.00 41.12 36.17 2jqy n ASP 265 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2jqy n SER 266 N 1.48 5.96 -3.76 -2.24 2.88 -1.26 -4.94 113.62 111.75 2jqy n SER 266 Ca -0.35 -3.71 -0.16 0.00 -1.33 0.00 0.00 58.87 53.32 2jqy n SER 266 Cb 0.54 -0.92 -0.09 0.00 -0.75 0.00 0.00 64.21 62.99 2jqy n SER 266 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2jqy s ASP 267 N -1.61 0.96 0.59 -3.46 1.01 -1.26 -5.15 116.67 107.75 2jqy s ASP 267 Ca 0.61 -1.59 -0.17 0.00 0.71 0.00 0.00 52.55 52.12 2jqy s ASP 267 Cb 0.50 0.47 -0.04 0.00 1.01 0.00 0.00 42.92 44.86 2jqy s ASP 267 CO 0.04 -0.96 1.08 -0.54 0.21 0.00 0.00 175.17 175.00 2jqy s LYS 268 N -3.78 3.26 -0.17 8.23 1.02 -1.26 -5.06 119.74 121.97 2jqy s LYS 268 Ca 0.40 1.33 -0.05 0.00 0.02 0.00 0.00 55.97 57.67 2jqy s LYS 268 Cb 0.05 -2.02 0.09 0.00 -0.52 0.00 0.00 37.83 35.42 2jqy s LYS 268 CO 0.20 -0.87 0.32 0.12 -0.92 0.00 0.00 175.35 174.20 2jqy s PHE 269 N -2.27 -0.58 -0.20 3.18 2.19 -1.26 -5.14 117.98 113.91 2jqy s PHE 269 Ca 0.66 1.04 -0.08 0.00 0.33 0.00 0.00 56.93 58.88 2jqy s PHE 269 Cb -0.18 0.04 0.08 0.00 -1.31 0.00 0.00 43.02 41.65 2jqy s PHE 269 CO 0.34 -0.47 0.43 -1.58 1.83 0.00 0.00 175.22 175.77 2jqy s HIS 270 N 2.49 -0.78 -0.04 10.12 2.46 -1.26 -5.06 115.29 123.22 2jqy s HIS 270 Ca 0.03 1.51 -0.02 0.00 0.47 0.00 0.00 55.06 57.05 2jqy s HIS 270 Cb -0.13 0.32 0.03 0.00 -0.13 0.00 0.00 32.58 32.67 2jqy s HIS 270 CO -0.11 -0.46 0.06 -0.47 -2.47 0.00 0.00 174.74 171.29 2jqy s TYR 271 N 2.30 0.06 0.33 3.88 6.14 -1.26 -5.10 117.35 123.70 2jqy s TYR 271 Ca -0.04 0.25 -0.01 0.00 0.64 0.00 0.00 57.07 57.90 2jqy s TYR 271 Cb -0.11 -0.46 -0.01 0.00 0.42 0.00 0.00 41.96 41.80 2jqy s TYR 271 CO -0.13 -0.18 0.42 0.00 0.64 0.00 0.00 175.55 176.30 2jqy s ALA 272 N 2.07 0.95 0.39 3.97 0.00 -1.26 -2.45 121.76 125.42 2jqy s ALA 272 Ca 0.04 -1.60 -0.14 0.00 0.00 0.00 0.00 51.96 50.25 2jqy s ALA 272 Cb -0.12 1.22 0.05 0.00 0.00 0.00 0.00 23.12 24.27 2jqy s ALA 272 CO -0.03 -0.76 0.76 0.20 0.00 0.00 0.00 175.76 175.93 2jqy s GLY 273 N -3.25 0.49 -0.13 0.00 0.00 -1.02 -4.58 107.32 98.83 2jqy s GLY 273 Ca 0.32 -0.84 -0.11 0.00 0.00 0.00 0.00 44.72 44.09 2jqy s GLY 273 CO 0.21 -0.38 0.34 0.14 0.00 0.00 0.00 173.10 173.40 2jqy s VAL 274 N -2.32 -0.00 0.22 1.40 1.01 0.20 -1.78 120.40 119.13 2jqy s VAL 274 Ca 0.17 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.20 2jqy s VAL 274 Cb -0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 2jqy s VAL 274 CO 0.12 0.00 0.15 0.61 0.00 0.00 0.00 175.10 175.99 2jqy n GLY 275 N 2.97 3.39 3.25 4.51 0.00 0.21 -0.43 105.19 119.09 2jqy n GLY 275 Ca -0.14 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 2jqy n GLY 275 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jqy s VAL 276 N -2.76 0.09 -0.32 1.61 -7.23 -0.11 -0.71 120.40 110.98 2jqy s VAL 276 Ca 0.22 -0.70 -0.02 0.00 -1.81 0.00 0.00 61.98 59.66 2jqy s VAL 276 Cb 0.01 -0.97 0.12 0.00 0.56 0.00 0.00 36.38 36.10 2jqy s VAL 276 CO 0.15 -0.39 0.18 0.21 -0.31 0.00 0.00 175.10 174.95 2jqy s ASN 277 N -2.15 3.09 0.36 4.85 3.84 -0.39 -1.24 114.94 123.31 2jqy s ASN 277 Ca -0.04 -1.65 -0.08 0.00 0.21 0.00 0.00 52.86 51.30 2jqy s ASN 277 Cb -0.00 -0.28 -0.06 0.00 -0.55 0.00 0.00 41.25 40.36 2jqy s ASN 277 CO -0.04 -0.37 0.68 -0.47 -2.79 0.00 0.00 177.10 174.10 2jqy s TYR 278 N 1.65 3.48 -0.00 0.43 6.14 0.74 -1.13 117.35 128.65 2jqy s TYR 278 Ca 0.13 0.86 -0.04 0.00 0.64 0.00 0.00 57.07 58.66 2jqy s TYR 278 Cb -0.19 -2.29 -0.00 0.00 0.42 0.00 0.00 41.96 39.90 2jqy s TYR 278 CO -0.19 0.01 0.07 0.45 0.64 0.00 0.00 175.55 176.53 2jqy s SER 279 N -3.20 0.06 0.00 4.32 0.15 -0.29 -0.86 113.70 113.89 2jqy s SER 279 Ca 0.48 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2jqy s SER 279 Cb -0.10 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2jqy s SER 279 CO 0.31 -0.25 0.26 0.33 1.20 0.00 0.00 173.24 175.09