#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqy s GLU 2 N 0.00 0.75 0.39 5.31 2.02 -1.26 -4.88 118.70 121.04 2jqy s GLU 2 Ca 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.43 2jqy s GLU 2 Cb 0.00 -1.15 0.00 0.00 0.10 0.00 0.00 34.13 33.08 2jqy s GLU 2 CO 0.00 -1.29 0.00 0.54 0.02 0.00 0.00 175.26 174.53 2jqy n ARG 3 N 3.48 0.00 -2.74 1.61 1.74 -1.26 -4.74 116.66 114.75 2jqy n ARG 3 Ca 0.20 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.19 2jqy n ARG 3 Cb 0.44 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.98 2jqy n ARG 3 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2jqy n ASN 4 N -3.37 -1.77 -0.01 0.55 6.94 -1.26 -2.67 115.26 113.67 2jqy n ASN 4 Ca 0.00 -3.05 0.03 0.00 -0.02 0.00 0.00 54.58 51.54 2jqy n ASN 4 Cb 0.00 1.25 -0.08 0.00 -2.36 0.00 0.00 39.78 38.59 2jqy n ASN 4 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2jqy n ASP 5 N -0.10 2.58 -1.68 0.53 2.03 -1.26 -5.06 116.55 113.58 2jqy n ASP 5 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2jqy n ASP 5 Cb 0.77 1.31 0.00 0.00 -0.72 0.00 0.00 41.12 42.49 2jqy n ASP 5 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 2jqy n TRP 6 N -1.98 -3.55 -3.96 -0.67 -0.00 -1.18 -4.99 117.44 101.11 2jqy n TRP 6 Ca -0.05 2.13 -0.34 0.00 -0.00 0.00 0.00 57.50 59.24 2jqy n TRP 6 Cb 0.40 -3.24 -0.15 0.00 -0.00 0.00 0.00 31.31 28.33 2jqy n TRP 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 2jqy s HIS 7 N -0.38 2.92 -0.10 5.87 2.46 -1.06 -4.89 115.29 120.10 2jqy s HIS 7 Ca 0.00 -1.15 -0.22 0.00 0.47 0.00 0.00 55.06 54.16 2jqy s HIS 7 Cb 0.00 -2.06 -0.04 0.00 -0.13 0.00 0.00 32.58 30.36 2jqy s HIS 7 CO 0.00 -0.62 0.65 -0.06 -2.47 0.00 0.00 174.74 172.23 2jqy s PHE 8 N 1.42 3.53 -0.02 3.88 0.08 -0.93 -2.73 117.98 123.21 2jqy s PHE 8 Ca 0.05 1.13 0.01 0.00 0.12 0.00 0.00 56.93 58.24 2jqy s PHE 8 Cb -0.14 -2.76 0.01 0.00 -0.57 0.00 0.00 43.02 39.56 2jqy s PHE 8 CO -0.06 0.06 -0.05 1.21 -0.10 0.00 0.00 175.22 176.28 2jqy s ASN 9 N 0.83 0.71 -0.23 1.36 3.04 -1.10 -1.45 114.94 118.10 2jqy s ASN 9 Ca 0.34 -0.10 -0.11 0.00 0.04 0.00 0.00 52.86 53.03 2jqy s ASN 9 Cb -0.17 -0.21 0.08 0.00 -1.54 0.00 0.00 41.25 39.42 2jqy s ASN 9 CO 0.15 0.01 0.54 -0.51 -3.04 0.00 0.00 177.10 174.25 2jqy s ILE 10 N 0.34 -0.29 0.22 -5.21 2.07 0.21 -1.32 121.20 117.22 2jqy s ILE 10 Ca -0.04 0.06 0.05 0.00 -1.41 0.00 0.00 60.65 59.32 2jqy s ILE 10 Cb -0.08 -0.81 -0.05 0.00 0.13 0.00 0.00 42.46 41.65 2jqy s ILE 10 CO -0.00 0.03 -0.06 -0.83 -1.91 0.00 0.00 174.94 172.16 2jqy s GLY 11 N 1.95 1.52 -0.19 1.50 0.00 -0.92 0.10 107.32 111.28 2jqy s GLY 11 Ca -0.08 -1.74 -0.07 0.00 0.00 0.00 0.00 44.72 42.84 2jqy s GLY 11 CO -0.16 -1.72 0.40 0.00 0.00 0.00 0.00 173.10 171.62 2jqy s ALA 12 N -3.20 -1.07 0.24 3.20 0.00 -0.49 -1.94 121.76 118.50 2jqy s ALA 12 Ca 0.25 1.44 0.06 0.00 0.00 0.00 0.00 51.96 53.72 2jqy s ALA 12 Cb 0.03 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2jqy s ALA 12 CO 0.08 -0.68 0.22 -1.64 0.00 0.00 0.00 175.76 173.73 2jqy s MET 13 N 2.43 3.01 -0.20 0.00 -1.94 -0.78 -1.19 119.30 120.62 2jqy s MET 13 Ca -0.02 -0.99 -0.13 0.00 -1.71 0.00 0.00 55.69 52.84 2jqy s MET 13 Cb -0.12 -2.63 0.06 0.00 2.01 0.00 0.00 34.83 34.16 2jqy s MET 13 CO -0.12 0.42 0.50 -0.47 -0.01 0.00 0.00 175.02 175.34 2jqy s TYR 14 N -2.07 -0.69 -0.20 -0.03 6.14 0.13 -2.39 117.35 118.24 2jqy s TYR 14 Ca 0.33 1.50 0.00 0.00 0.64 0.00 0.00 57.07 59.55 2jqy s TYR 14 Cb -0.08 0.33 0.02 0.00 0.42 0.00 0.00 41.96 42.65 2jqy s TYR 14 CO 0.25 -0.36 -0.15 -1.21 0.64 0.00 0.00 175.55 174.72 2jqy s GLU 15 N 1.11 2.91 0.02 4.97 8.01 -1.26 -2.02 118.70 132.45 2jqy s GLU 15 Ca -0.07 -0.90 -0.00 0.00 0.01 0.00 0.00 54.97 54.01 2jqy s GLU 15 Cb -0.06 -2.72 -0.02 0.00 -4.31 0.00 0.00 34.13 27.02 2jqy s GLU 15 CO -0.10 -0.28 -0.03 0.42 0.01 0.00 0.00 175.26 175.28 2jqy s ILE 16 N 1.29 0.12 0.00 -1.63 1.01 -1.26 -4.65 121.20 116.08 2jqy s ILE 16 Ca 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2jqy s ILE 16 Cb -0.15 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 41.94 2jqy s ILE 16 CO -0.10 -0.55 0.00 1.21 0.00 0.00 0.00 174.94 175.51 2jqy n GLU 17 N 1.45 2.05 -0.97 2.79 2.13 -1.26 -4.61 120.64 122.22 2jqy n GLU 17 Ca -0.23 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.48 2jqy n GLU 17 Cb 0.56 0.00 0.22 0.00 0.27 0.00 0.00 31.44 32.49 2jqy n GLU 17 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2jqy n ASN 18 N -1.48 4.16 -2.51 4.31 2.85 -1.26 -4.88 115.26 116.46 2jqy n ASN 18 Ca 0.00 -3.19 -0.16 0.00 -0.11 0.00 0.00 54.58 51.11 2jqy n ASN 18 Cb 0.00 -0.75 -0.00 0.00 1.24 0.00 0.00 39.78 40.27 2jqy n ASN 18 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2jqy n VAL 19 N -0.42 -0.83 -1.43 3.44 0.31 -1.26 -4.51 118.33 113.62 2jqy n VAL 19 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 2jqy n VAL 19 Cb 1.37 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 2jqy n VAL 19 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2jqy n GLU 20 N -3.00 -3.92 0.09 5.55 2.13 -1.26 -4.58 120.64 115.65 2jqy n GLU 20 Ca -0.17 2.98 -0.13 0.00 0.66 0.00 0.00 57.16 60.50 2jqy n GLU 20 Cb 0.64 -3.55 -0.08 0.00 0.27 0.00 0.00 31.44 28.71 2jqy n GLU 20 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2jqy h GLY 21 N 0.77 -0.22 -7.60 8.31 0.00 -2.04 -3.41 103.07 98.89 2jqy h GLY 21 Ca 0.00 0.08 -0.63 0.00 0.00 0.00 0.00 47.33 46.79 2jqy h GLY 21 CO 0.00 -0.08 -0.76 -0.47 0.00 0.00 0.00 176.54 175.23 2jqy s TYR 22 N -5.23 2.77 0.00 5.60 5.04 -1.26 -5.06 117.35 119.21 2jqy s TYR 22 Ca -0.15 -2.18 0.00 0.00 -2.44 0.00 0.00 57.07 52.31 2jqy s TYR 22 Cb 0.03 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.31 2jqy s TYR 22 CO 0.63 -0.85 0.00 0.41 -1.34 0.00 0.00 175.55 174.39 2jqy n GLY 23 N 4.55 3.24 2.92 8.97 0.00 -1.26 -5.07 105.19 118.54 2jqy n GLY 23 Ca -0.06 -1.98 -0.05 0.00 0.00 0.00 0.00 46.02 43.93 2jqy n GLY 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jqy s GLU 24 N -2.99 0.91 -0.17 1.61 -1.05 -1.26 -4.53 118.70 111.21 2jqy s GLU 24 Ca 0.00 -0.79 0.14 0.00 -0.15 0.00 0.00 54.97 54.17 2jqy s GLU 24 Cb 0.00 -0.17 0.40 0.00 -0.44 0.00 0.00 34.13 33.92 2jqy s GLU 24 CO 0.00 -1.26 1.20 -3.47 0.95 0.00 0.00 175.26 172.68 2jqy n ASP 25 N 3.69 1.66 -3.56 0.83 2.03 -1.26 -4.97 116.55 114.97 2jqy n ASP 25 Ca 0.15 -3.53 -0.21 0.00 0.52 0.00 0.00 54.79 51.73 2jqy n ASP 25 Cb 0.54 -0.48 -0.15 0.00 -0.72 0.00 0.00 41.12 40.31 2jqy n ASP 25 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2jqy s MET 26 N -2.72 0.12 -0.06 -0.67 -1.94 -1.26 -5.05 119.30 107.72 2jqy s MET 26 Ca 0.36 0.18 -0.05 0.00 -1.71 0.00 0.00 55.69 54.47 2jqy s MET 26 Cb 0.35 -1.23 -0.02 0.00 2.01 0.00 0.00 34.83 35.95 2jqy s MET 26 CO -0.07 -0.59 -0.10 -3.47 -0.01 0.00 0.00 175.02 170.78 2jqy n ASP 27 N 5.31 0.63 -4.66 3.03 -0.08 -1.26 -4.92 116.55 114.60 2jqy n ASP 27 Ca -0.06 0.19 -0.42 0.00 -1.51 0.00 0.00 54.79 52.99 2jqy n ASP 27 Cb 0.49 -0.59 -0.04 0.00 2.34 0.00 0.00 41.12 43.33 2jqy n ASP 27 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2jqy s GLY 28 N -3.46 1.86 -0.17 0.27 0.00 -1.26 -5.02 107.32 99.54 2jqy s GLY 28 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 44.72 44.51 2jqy s GLY 28 CO 0.12 1.86 0.43 1.08 0.00 0.00 0.00 173.10 176.60 2jqy s LEU 29 N 2.70 0.19 0.54 0.66 1.43 -1.26 -4.58 118.68 118.36 2jqy s LEU 29 Ca 0.38 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 2jqy s LEU 29 Cb -0.16 1.47 0.00 0.00 0.03 0.00 0.00 46.19 47.54 2jqy s LEU 29 CO 0.09 -0.16 0.00 0.00 0.23 0.00 0.00 176.35 176.50 2jqy n ALA 30 N 3.26 -3.29 -2.70 4.21 0.00 -1.26 -4.90 120.51 115.83 2jqy n ALA 30 Ca -0.16 0.82 -0.18 0.00 0.00 0.00 0.00 53.44 53.91 2jqy n ALA 30 Cb 0.57 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.52 2jqy n ALA 30 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jqy s GLU 31 N -4.13 0.81 0.43 0.00 0.41 -1.26 -4.82 118.70 110.15 2jqy s GLU 31 Ca 0.00 -0.79 -0.23 0.00 -0.41 0.00 0.00 54.97 53.54 2jqy s GLU 31 Cb 0.00 -0.79 -0.08 0.00 -1.78 0.00 0.00 34.13 31.48 2jqy s GLU 31 CO 0.00 0.19 1.11 -1.25 -0.49 0.00 0.00 175.26 174.82 2jqy s PRO 32 N -1.33 3.96 -0.27 0.39 0.04 -1.26 -4.69 135.00 131.84 2jqy s PRO 32 Ca -0.01 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 62.59 2jqy s PRO 32 Cb -0.08 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 2jqy s PRO 32 CO 0.01 -0.35 0.14 -1.12 0.04 0.00 0.00 177.00 175.72 2jqy s SER 33 N -1.45 5.59 0.34 6.66 0.01 -1.01 -4.74 113.70 119.11 2jqy s SER 33 Ca 0.61 -0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.58 2jqy s SER 33 Cb -0.26 -2.02 -0.08 0.00 0.21 0.00 0.00 66.02 63.87 2jqy s SER 33 CO 0.31 -0.07 0.72 -0.69 0.41 0.00 0.00 173.24 173.93 2jqy s VAL 34 N 1.68 4.76 -0.09 3.43 1.01 -1.12 -1.87 120.40 128.20 2jqy s VAL 34 Ca 0.06 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 2jqy s VAL 34 Cb -0.16 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2jqy s VAL 34 CO 0.07 -0.31 0.29 -0.47 0.00 0.00 0.00 175.10 174.69 2jqy s TYR 35 N -2.12 -0.29 -0.09 5.22 6.14 -0.82 -2.09 117.35 123.31 2jqy s TYR 35 Ca 0.52 0.67 -0.13 0.00 0.64 0.00 0.00 57.07 58.77 2jqy s TYR 35 Cb -0.10 0.10 0.03 0.00 0.42 0.00 0.00 41.96 42.41 2jqy s TYR 35 CO 0.23 -0.20 0.34 0.12 0.64 0.00 0.00 175.55 176.68 2jqy s PHE 36 N -0.16 -0.31 0.11 4.97 2.19 -0.19 -2.16 117.98 122.43 2jqy s PHE 36 Ca -0.03 0.69 -0.08 0.00 0.33 0.00 0.00 56.93 57.84 2jqy s PHE 36 Cb -0.03 0.12 -0.01 0.00 -1.31 0.00 0.00 43.02 41.80 2jqy s PHE 36 CO 0.01 -0.27 0.19 1.21 1.83 0.00 0.00 175.22 178.20 2jqy s ASN 37 N -0.41 0.13 -0.27 6.13 3.84 -0.43 -0.25 114.94 123.68 2jqy s ASN 37 Ca -0.05 -0.75 -0.04 0.00 0.21 0.00 0.00 52.86 52.22 2jqy s ASN 37 Cb -0.03 0.35 0.15 0.00 -0.55 0.00 0.00 41.25 41.17 2jqy s ASN 37 CO 0.02 -0.76 0.54 0.00 -2.79 0.00 0.00 177.10 174.11 2jqy s ALA 38 N -3.90 -1.82 -0.33 1.71 0.00 0.27 -2.70 121.76 114.99 2jqy s ALA 38 Ca 0.09 1.74 -0.17 0.00 0.00 0.00 0.00 51.96 53.62 2jqy s ALA 38 Cb 0.05 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 2jqy s ALA 38 CO -0.08 -1.14 0.44 0.00 0.00 0.00 0.00 175.76 174.99 2jqy s ALA 39 N 2.77 3.50 -0.41 0.00 0.00 -1.10 0.07 121.76 126.60 2jqy s ALA 39 Ca 0.10 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2jqy s ALA 39 Cb -0.14 -2.90 0.14 0.00 0.00 0.00 0.00 23.12 20.22 2jqy s ALA 39 CO -0.18 -1.05 0.25 1.21 0.00 0.00 0.00 175.76 175.98 2jqy s ASN 40 N 1.72 3.16 1.81 0.00 3.84 -0.61 -2.57 114.94 122.29 2jqy s ASN 40 Ca 0.16 -2.52 0.00 0.00 0.21 0.00 0.00 52.86 50.71 2jqy s ASN 40 Cb -0.16 -0.72 0.00 0.00 -0.55 0.00 0.00 41.25 39.82 2jqy s ASN 40 CO 0.12 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 174.77 2jqy n GLY 41 N 3.63 3.34 1.24 1.21 0.00 -1.09 -2.14 105.19 111.38 2jqy n GLY 41 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 13.63 2.34 -3.61 1.61 -0.04 -1.26 -4.73 135.00 142.94 2jqy n PRO 42 Ca 0.00 -1.35 -0.25 0.00 -0.04 0.00 0.00 63.50 61.86 2jqy n PRO 42 Cb 0.00 -1.73 -0.17 0.00 -0.04 0.00 0.00 33.50 31.56 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 -1.66 0.14 -0.36 0.54 -0.00 -0.91 -3.88 118.94 112.81 2jqy s TRP 43 Ca 0.24 -0.22 -0.07 0.00 -0.00 0.00 0.00 56.10 56.05 2jqy s TRP 43 Cb 0.19 -0.65 0.05 0.00 -0.00 0.00 0.00 33.47 33.06 2jqy s TRP 43 CO 0.06 -0.49 0.15 1.03 -0.00 0.00 0.00 176.95 177.70 2jqy s ARG 44 N 2.16 2.63 -0.23 5.86 0.52 -1.10 -1.57 118.95 127.21 2jqy s ARG 44 Ca 0.03 -1.23 -0.26 0.00 -0.52 0.00 0.00 55.73 53.75 2jqy s ARG 44 Cb -0.16 -3.56 -0.00 0.00 0.52 0.00 0.00 34.95 31.75 2jqy s ARG 44 CO -0.09 -0.74 0.87 0.42 0.02 0.00 0.00 175.30 175.79 2jqy s ILE 45 N 1.42 4.81 -0.13 1.52 1.01 0.11 -2.68 121.20 127.26 2jqy s ILE 45 Ca 0.00 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.33 2jqy s ILE 45 Cb -0.20 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.13 2jqy s ILE 45 CO 0.03 -0.08 -0.14 0.00 0.00 0.00 0.00 174.94 174.76 2jqy s ALA 46 N 2.80 1.74 -0.21 9.38 0.00 0.34 0.95 121.76 136.77 2jqy s ALA 46 Ca 0.37 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.53 2jqy s ALA 46 Cb -0.15 -0.97 0.05 0.00 0.00 0.00 0.00 23.12 22.05 2jqy s ALA 46 CO 0.08 -0.29 -0.08 -0.51 0.00 0.00 0.00 175.76 174.96 2jqy s LEU 47 N 1.36 2.32 0.07 0.00 1.43 0.66 -0.24 118.68 124.28 2jqy s LEU 47 Ca 0.01 -0.96 0.09 0.00 -1.03 0.00 0.00 54.13 52.24 2jqy s LEU 47 Cb -0.13 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 2jqy s LEU 47 CO -0.08 -0.18 -0.22 0.00 0.23 0.00 0.00 176.35 176.10 2jqy s ALA 48 N 1.42 2.47 -0.29 4.21 0.00 -1.11 -1.02 121.76 127.43 2jqy s ALA 48 Ca -0.03 -1.30 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 2jqy s ALA 48 Cb -0.17 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 2jqy s ALA 48 CO -0.07 0.56 0.14 -0.47 0.00 0.00 0.00 175.76 175.91 2jqy s TYR 49 N -0.95 3.16 -0.23 0.00 6.14 -0.89 0.48 117.35 125.05 2jqy s TYR 49 Ca 0.14 -0.43 -0.05 0.00 0.64 0.00 0.00 57.07 57.37 2jqy s TYR 49 Cb -0.10 -2.33 -0.02 0.00 0.42 0.00 0.00 41.96 39.93 2jqy s TYR 49 CO 0.05 -0.39 0.01 -0.47 0.64 0.00 0.00 175.55 175.39 2jqy s TYR 50 N 1.63 3.02 -0.19 4.97 6.14 -1.06 -2.78 117.35 129.07 2jqy s TYR 50 Ca 0.05 -0.65 -0.08 0.00 0.64 0.00 0.00 57.07 57.04 2jqy s TYR 50 Cb -0.16 -2.15 0.08 0.00 0.42 0.00 0.00 41.96 40.15 2jqy s TYR 50 CO 0.06 -0.42 0.43 -1.14 0.64 0.00 0.00 175.55 175.12 2jqy s GLN 51 N 1.44 0.36 -0.00 4.97 -0.44 -1.26 -1.71 119.66 123.01 2jqy s GLN 51 Ca 0.05 0.98 0.01 0.00 -2.50 0.00 0.00 55.36 53.91 2jqy s GLN 51 Cb -0.15 0.24 -0.00 0.00 -1.64 0.00 0.00 33.01 31.46 2jqy s GLN 51 CO 0.00 -0.22 -0.04 -2.00 0.50 0.00 0.00 175.29 173.54 2jqy s GLU 52 N 2.26 0.28 0.00 1.67 2.56 -1.26 -4.57 118.70 119.65 2jqy s GLU 52 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.97 54.79 2jqy s GLU 52 Cb -0.11 -0.27 0.00 0.00 2.00 0.00 0.00 34.13 35.75 2jqy s GLU 52 CO -0.13 0.07 0.00 0.41 -0.56 0.00 0.00 175.26 175.05 2jqy n GLY 53 N 2.96 0.22 0.00 -1.50 0.00 -1.26 -4.25 105.19 101.35 2jqy n GLY 53 Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2jqy n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jqy n PRO 54 N 0.00 0.00 -1.27 1.61 -0.04 -1.26 -4.75 135.00 129.29 2jqy n PRO 54 Ca 0.00 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2jqy n PRO 54 Cb 0.00 -1.00 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 2jqy n PRO 54 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2jqy n VAL 55 N -0.59 0.00 -1.83 0.52 0.24 -1.26 -5.00 118.33 110.41 2jqy n VAL 55 Ca 0.00 -0.61 -0.30 0.00 -2.04 0.00 0.00 64.34 61.39 2jqy n VAL 55 Cb 0.00 0.79 0.04 0.00 -1.47 0.00 0.00 33.84 33.20 2jqy n VAL 55 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2jqy s ASP 56 N -1.58 5.65 -0.21 -1.34 1.11 -1.26 -5.09 116.67 113.95 2jqy s ASP 56 Ca 0.21 1.29 -0.08 0.00 0.18 0.00 0.00 52.55 54.14 2jqy s ASP 56 Cb 0.24 -2.18 0.09 0.00 1.07 0.00 0.00 42.92 42.13 2jqy s ASP 56 CO -0.10 -1.23 0.46 -0.47 1.18 0.00 0.00 175.17 175.01 2jqy s TYR 57 N -3.25 -0.84 0.03 4.23 6.14 -1.26 -5.07 117.35 117.33 2jqy s TYR 57 Ca 0.57 1.61 -0.00 0.00 0.64 0.00 0.00 57.07 59.89 2jqy s TYR 57 Cb -0.12 0.38 -0.00 0.00 0.42 0.00 0.00 41.96 42.64 2jqy s TYR 57 CO 0.53 -0.48 -0.00 -1.13 0.64 0.00 0.00 175.55 175.11 2jqy n SER 58 N 5.07 0.30 -2.63 4.32 3.41 -1.26 -5.12 113.62 117.71 2jqy n SER 58 Ca -0.13 0.04 -0.05 0.00 -0.26 0.00 0.00 58.87 58.47 2jqy n SER 58 Cb 0.51 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 2jqy n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jqy n ALA 59 N -2.77 -3.69 0.00 7.33 0.00 -1.26 -4.85 120.51 115.27 2jqy n ALA 59 Ca -0.00 2.06 0.00 0.00 0.00 0.00 0.00 53.44 55.50 2jqy n ALA 59 Cb 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 19.45 15.42 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 1.50 1.78 0.01 0.00 0.00 -1.26 -4.99 105.19 102.23 2jqy n GLY 60 Ca -0.34 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.47 2jqy n GLY 60 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jqy h LYS 61 N 0.00 -0.02 -4.03 1.61 3.64 -2.04 -3.50 116.57 112.23 2jqy h LYS 61 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 2jqy h LYS 61 Cb 0.00 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.74 2jqy h LYS 61 CO 0.00 -0.01 -0.21 -0.98 -2.27 0.00 0.00 179.45 175.98 2jqy s ARG 62 N -1.49 1.75 -0.03 1.90 1.70 -1.26 -5.10 118.95 116.43 2jqy s ARG 62 Ca -0.00 -1.61 -0.02 0.00 -0.47 0.00 0.00 55.73 53.63 2jqy s ARG 62 Cb 0.00 0.44 0.01 0.00 -0.57 0.00 0.00 34.95 34.83 2jqy s ARG 62 CO 0.01 -0.72 0.06 0.20 -1.08 0.00 0.00 175.30 173.78 2jqy s GLY 63 N -3.17 -0.03 -0.44 3.88 0.00 -1.26 -4.41 107.32 101.89 2jqy s GLY 63 Ca 0.29 0.22 0.07 0.00 0.00 0.00 0.00 44.72 45.30 2jqy s GLY 63 CO 0.16 0.27 0.84 -1.30 0.00 0.00 0.00 173.10 173.07 2jqy n THR 64 N 3.26 -0.18 -0.03 0.90 -2.24 -1.26 -4.10 114.28 110.63 2jqy n THR 64 Ca -0.15 -2.49 -0.02 0.00 -2.27 0.00 0.00 64.05 59.13 2jqy n THR 64 Cb 0.58 0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 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 1.12 0.00 0.04 4.78 -0.00 -1.26 -4.38 117.44 117.74 2jqy n TRP 65 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.61 2jqy n TRP 65 Cb 0.63 -0.34 -0.01 0.00 -0.00 0.00 0.00 31.31 31.59 2jqy n TRP 65 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 177.69 178.04 2jqy h PHE 66 N 0.00 -0.11 -2.98 5.87 3.57 -1.84 -3.46 116.94 117.99 2jqy h PHE 66 Ca -0.16 -0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.68 2jqy h PHE 66 Cb 1.20 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.90 2jqy h PHE 66 CO 0.00 -0.07 -0.45 -0.25 -2.23 0.00 0.00 178.31 175.31 2jqy n ASP 67 N -2.81 -8.01 -3.68 0.41 8.00 -1.26 -4.86 116.55 104.33 2jqy n ASP 67 Ca -0.01 1.34 0.03 0.00 0.71 0.00 0.00 54.79 56.85 2jqy n ASP 67 Cb 0.05 -3.76 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 2jqy n ASP 67 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jqy s ARG 68 N -1.94 0.28 1.05 -1.24 0.52 -0.69 -4.34 118.95 112.59 2jqy s ARG 68 Ca 0.00 -0.17 -0.18 0.00 -0.52 0.00 0.00 55.73 54.87 2jqy s ARG 68 Cb 0.00 0.09 0.25 0.00 0.52 0.00 0.00 34.95 35.81 2jqy s ARG 68 CO 0.00 -0.13 1.22 -0.35 0.02 0.00 0.00 175.30 176.06 2jqy n PRO 69 N -0.63 -1.95 -4.19 3.54 -0.04 -1.26 -2.58 135.00 127.89 2jqy n PRO 69 Ca -0.05 -1.91 -0.11 0.00 -0.04 0.00 0.00 63.50 61.39 2jqy n PRO 69 Cb 0.62 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 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 -5.70 1.08 0.07 0.54 8.01 0.18 -4.03 118.70 118.84 2jqy s GLU 70 Ca 0.72 -1.54 0.06 0.00 0.01 0.00 0.00 54.97 54.22 2jqy s GLU 70 Cb -0.04 0.18 -0.03 0.00 -4.31 0.00 0.00 34.13 29.93 2jqy s GLU 70 CO 0.52 -0.30 -0.16 -0.51 0.01 0.00 0.00 175.26 174.82 2jqy s LEU 71 N -3.12 2.26 -0.10 1.80 1.02 -0.45 -2.76 118.68 117.33 2jqy s LEU 71 Ca 0.31 -0.60 -0.09 0.00 0.02 0.00 0.00 54.13 53.76 2jqy s LEU 71 Cb 0.07 -0.64 0.03 0.00 0.02 0.00 0.00 46.19 45.67 2jqy s LEU 71 CO 0.07 -0.02 0.27 -1.61 0.02 0.00 0.00 176.35 175.08 2jqy s GLU 72 N -1.66 0.32 -0.04 1.70 2.02 0.67 0.15 118.70 121.86 2jqy s GLU 72 Ca 0.01 0.36 -0.02 0.00 0.02 0.00 0.00 54.97 55.34 2jqy s GLU 72 Cb -0.10 0.16 0.02 0.00 0.10 0.00 0.00 34.13 34.31 2jqy s GLU 72 CO 0.03 -0.04 0.09 0.14 0.02 0.00 0.00 175.26 175.49 2jqy s VAL 73 N 0.10 -0.02 -0.06 2.63 -7.23 0.20 -0.50 120.40 115.52 2jqy s VAL 73 Ca -0.00 0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.28 2jqy s VAL 73 Cb -0.02 -0.14 -0.03 0.00 0.56 0.00 0.00 36.38 36.75 2jqy s VAL 73 CO 0.00 0.04 -0.12 -1.00 -0.31 0.00 0.00 175.10 173.72 2jqy s HIS 74 N 0.53 2.79 -0.25 2.82 3.76 -1.09 0.36 115.29 124.21 2jqy s HIS 74 Ca -0.04 -0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.71 2jqy s HIS 74 Cb -0.06 -1.67 0.08 0.00 1.11 0.00 0.00 32.58 32.04 2jqy s HIS 74 CO -0.02 0.22 0.10 -0.47 -0.85 0.00 0.00 174.74 173.71 2jqy s TYR 75 N -0.69 0.59 -0.41 1.40 6.14 0.28 -2.71 117.35 121.94 2jqy s TYR 75 Ca 0.10 -0.84 -0.18 0.00 0.64 0.00 0.00 57.07 56.79 2jqy s TYR 75 Cb -0.11 -0.98 0.02 0.00 0.42 0.00 0.00 41.96 41.31 2jqy s TYR 75 CO 0.01 -0.72 0.49 -0.65 0.64 0.00 0.00 175.55 175.32 2jqy s GLN 76 N 2.01 3.23 0.04 4.97 -0.21 -1.26 -1.75 119.66 126.70 2jqy s GLN 76 Ca 0.06 -0.58 -0.26 0.00 0.02 0.00 0.00 55.36 54.60 2jqy s GLN 76 Cb -0.16 -3.93 -0.17 0.00 1.00 0.00 0.00 33.01 29.74 2jqy s GLN 76 CO -0.23 -0.84 1.46 0.35 -2.12 0.00 0.00 175.29 173.91 2jqy h PHE 77 N 8.71 -0.27 -4.06 0.91 3.04 -1.55 -3.45 116.94 120.27 2jqy h PHE 77 Ca -0.27 -0.01 -0.46 0.00 3.98 0.00 0.00 57.97 61.22 2jqy h PHE 77 Cb 1.11 0.09 -0.25 0.00 2.56 0.00 0.00 35.95 39.46 2jqy h PHE 77 CO 0.66 -0.02 -0.80 -0.51 -2.02 0.00 0.00 178.31 175.62 2jqy s LEU 78 N -9.76 2.16 -0.47 0.59 1.43 -1.20 -5.01 118.68 106.42 2jqy s LEU 78 Ca -0.15 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2jqy s LEU 78 Cb 0.03 -0.65 0.13 0.00 0.03 0.00 0.00 46.19 45.73 2jqy s LEU 78 CO 0.61 0.06 0.24 -0.70 0.23 0.00 0.00 176.35 176.79 2jqy s GLU 79 N -1.10 1.99 -0.15 1.70 -6.30 -1.26 -2.59 118.70 110.99 2jqy s GLU 79 Ca 0.02 -2.23 -0.08 0.00 -2.50 0.00 0.00 54.97 50.18 2jqy s GLU 79 Cb -0.08 -3.45 0.05 0.00 0.00 0.00 0.00 34.13 30.66 2jqy s GLU 79 CO 0.01 -1.07 0.35 -0.80 0.02 0.00 0.00 175.26 173.77 2jqy s ASN 80 N 0.72 -0.42 0.61 -1.70 -0.87 -1.26 -5.00 114.94 107.01 2jqy s ASN 80 Ca 0.13 0.76 0.34 0.00 -1.57 0.00 0.00 52.86 52.52 2jqy s ASN 80 Cb -0.22 0.64 1.98 0.00 -0.02 0.00 0.00 41.25 43.63 2jqy s ASN 80 CO -0.04 -0.18 2.28 0.44 -2.57 0.00 0.00 177.10 177.03 2jqy h ASP 81 N 7.10 0.00 0.06 -1.22 3.32 -1.97 0.13 116.42 123.84 2jqy h ASP 81 Ca -0.38 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.51 2jqy h ASP 81 Cb 1.17 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.74 2jqy h ASP 81 CO 0.32 0.01 -0.67 -0.78 -1.72 0.00 0.00 179.24 176.40 2jqy h ASP 82 N 0.00 0.48 -1.59 6.45 3.58 -1.89 0.46 116.42 123.91 2jqy h ASP 82 Ca -0.00 -0.85 -0.33 0.00 0.42 0.00 0.00 57.03 56.26 2jqy h ASP 82 Cb 0.02 -0.15 -0.26 0.00 1.72 0.00 0.00 39.33 40.67 2jqy h ASP 82 CO 0.00 1.28 -0.69 -0.36 -2.88 0.00 0.00 179.24 176.59 2jqy s PHE 83 N -2.84 -0.49 -0.19 0.28 0.08 -0.87 -4.23 117.98 109.72 2jqy s PHE 83 Ca -0.14 -1.26 -0.21 0.00 0.12 0.00 0.00 56.93 55.45 2jqy s PHE 83 Cb 0.02 -0.20 -0.03 0.00 -0.57 0.00 0.00 43.02 42.24 2jqy s PHE 83 CO 0.82 -1.08 0.62 0.45 -0.10 0.00 0.00 175.22 175.93 2jqy s SER 84 N 0.60 6.69 -0.29 1.36 0.15 0.31 -4.39 113.70 118.13 2jqy s SER 84 Ca 0.30 0.84 -0.08 0.00 0.70 0.00 0.00 55.95 57.71 2jqy s SER 84 Cb 0.01 -2.35 -0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2jqy s SER 84 CO -0.11 -0.25 0.10 0.12 1.20 0.00 0.00 173.24 174.30 2jqy s PHE 85 N 1.81 3.15 0.30 3.44 5.36 -1.07 -2.04 117.98 128.93 2jqy s PHE 85 Ca 0.29 -0.77 0.06 0.00 -0.96 0.00 0.00 56.93 55.55 2jqy s PHE 85 Cb -0.16 -2.28 -0.06 0.00 -0.34 0.00 0.00 43.02 40.18 2jqy s PHE 85 CO 0.11 -0.51 -0.04 0.20 -1.46 0.00 0.00 175.22 173.52 2jqy s GLY 86 N 1.55 1.92 -0.29 13.12 0.00 0.29 -1.28 107.32 122.64 2jqy s GLY 86 Ca 0.04 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 42.80 2jqy s GLY 86 CO 0.04 -1.86 0.55 -2.27 0.00 0.00 0.00 173.10 169.56 2jqy s LEU 87 N -3.47 -1.28 -0.39 0.66 2.96 -0.71 -0.75 118.68 115.69 2jqy s LEU 87 Ca 0.31 0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 54.73 2jqy s LEU 87 Cb 0.05 1.93 0.05 0.00 0.50 0.00 0.00 46.19 48.72 2jqy s LEU 87 CO 0.13 -0.28 0.22 0.28 -1.32 0.00 0.00 176.35 175.38 2jqy s THR 88 N 2.79 4.36 -0.25 3.68 -1.32 -1.15 -0.56 115.64 123.19 2jqy s THR 88 Ca 0.17 -1.12 -0.10 0.00 -1.21 0.00 0.00 61.69 59.44 2jqy s THR 88 Cb -0.14 -3.54 -0.05 0.00 -1.51 0.00 0.00 72.50 67.27 2jqy s THR 88 CO -0.21 -0.35 0.14 -0.83 -2.21 0.00 0.00 174.62 171.16 2jqy s GLY 89 N 1.79 1.93 0.15 6.08 0.00 0.16 -2.14 107.32 115.29 2jqy s GLY 89 Ca 0.02 -0.97 0.09 0.00 0.00 0.00 0.00 44.72 43.86 2jqy s GLY 89 CO 0.04 0.45 -0.20 -0.32 0.00 0.00 0.00 173.10 173.07 2jqy s GLY 90 N 1.26 1.43 -0.14 0.20 0.00 0.10 -0.63 107.32 109.54 2jqy s GLY 90 Ca 0.07 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.33 2jqy s GLY 90 CO 0.06 -1.50 -0.17 -1.36 0.00 0.00 0.00 173.10 170.13 2jqy s PHE 91 N -1.74 2.75 -0.11 1.90 0.08 0.12 -1.28 117.98 119.70 2jqy s PHE 91 Ca 0.15 -1.01 -0.01 0.00 0.12 0.00 0.00 56.93 56.17 2jqy s PHE 91 Cb -0.07 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 2jqy s PHE 91 CO 0.07 -0.44 -0.06 1.03 -0.10 0.00 0.00 175.22 175.72 2jqy s ARG 92 N 0.69 3.23 -0.13 0.44 0.52 -0.69 -1.34 118.95 121.67 2jqy s ARG 92 Ca -0.08 -0.54 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 2jqy s ARG 92 Cb -0.16 -2.75 0.02 0.00 0.52 0.00 0.00 34.95 32.59 2jqy s ARG 92 CO 0.02 0.44 -0.13 -0.80 0.02 0.00 0.00 175.30 174.85 2jqy s ASN 93 N -0.20 2.48 -0.06 0.23 0.01 -1.26 -2.51 114.94 113.64 2jqy s ASN 93 Ca 0.03 -0.43 0.04 0.00 -0.71 0.00 0.00 52.86 51.80 2jqy s ASN 93 Cb -0.13 -1.07 -0.02 0.00 0.41 0.00 0.00 41.25 40.44 2jqy s ASN 93 CO 0.03 -0.05 -0.18 -0.31 -1.51 0.00 0.00 177.10 175.08 2jqy s TYR 94 N 1.38 2.61 0.41 2.20 2.02 -1.15 -4.06 117.35 120.76 2jqy s TYR 94 Ca 0.01 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 2jqy s TYR 94 Cb -0.13 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 2jqy s TYR 94 CO -0.07 -0.01 0.63 0.20 -1.57 0.00 0.00 175.55 174.73 2jqy s GLY 95 N -0.38 1.44 0.00 0.71 0.00 -1.25 -1.52 107.32 106.32 2jqy s GLY 95 Ca 0.04 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2jqy s GLY 95 CO 0.02 -0.77 0.00 2.98 0.00 0.00 0.00 173.10 175.33 2jqy n TYR 96 N -1.97 0.00 0.00 1.90 4.19 0.06 -4.42 117.16 116.91 2jqy n TYR 96 Ca -0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.19 2jqy n TYR 96 Cb 0.56 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.39 2jqy n TYR 96 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2jqy n HIS 97 N 0.00 0.00 -3.50 2.98 -0.00 -1.26 -2.64 115.22 110.80 2jqy n HIS 97 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.73 2jqy n HIS 97 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 2jqy n HIS 97 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2jqy s TYR 98 N 0.00 -0.39 0.33 1.57 6.14 -1.26 -4.50 117.35 119.24 2jqy s TYR 98 Ca 0.00 0.73 -0.29 0.00 0.64 0.00 0.00 57.07 58.15 2jqy s TYR 98 Cb 0.00 0.23 -0.10 0.00 0.42 0.00 0.00 41.96 42.51 2jqy s TYR 98 CO 0.00 -0.19 1.36 0.08 0.64 0.00 0.00 175.55 177.44 2jqy s VAL 99 N 1.68 2.56 0.00 3.14 1.01 -1.26 -4.70 120.40 122.84 2jqy s VAL 99 Ca -0.05 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2jqy s VAL 99 Cb -0.03 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2jqy s VAL 99 CO -0.15 0.13 0.00 -0.67 0.00 0.00 0.00 175.10 174.41 2jqy n ASP 100 N 0.93 0.00 -4.56 3.32 2.03 -1.26 -5.10 116.55 111.90 2jqy n ASP 100 Ca 0.01 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.89 2jqy n ASP 100 Cb 0.41 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.77 2jqy n ASP 100 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2jqy s GLU 101 N -0.97 3.53 -0.76 -0.67 2.02 -1.26 -4.94 118.70 115.65 2jqy s GLU 101 Ca 0.00 0.17 -0.13 0.00 0.02 0.00 0.00 54.97 55.02 2jqy s GLU 101 Cb 0.00 -3.94 -0.10 0.00 0.10 0.00 0.00 34.13 30.19 2jqy s GLU 101 CO 0.00 -1.28 1.94 -0.35 0.02 0.00 0.00 175.26 175.58 2jqy n PRO 102 N 7.32 1.62 0.00 0.39 -0.04 -1.26 -3.31 135.00 139.72 2jqy n PRO 102 Ca 0.06 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 2jqy n PRO 102 Cb 0.48 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 2jqy n PRO 102 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jqy n GLY 103 N 4.15 -0.17 3.25 0.55 0.00 -1.26 -5.12 105.19 106.59 2jqy n GLY 103 Ca 0.44 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 2jqy n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqy s LYS 104 N -1.53 1.85 0.05 1.61 1.02 -1.21 -5.04 119.74 116.49 2jqy s LYS 104 Ca 0.00 -0.81 -0.23 0.00 0.02 0.00 0.00 55.97 54.94 2jqy s LYS 104 Cb 0.00 -1.79 -0.15 0.00 -0.52 0.00 0.00 37.83 35.37 2jqy s LYS 104 CO 0.00 0.49 1.54 0.22 -0.92 0.00 0.00 175.35 176.67 2jqy h ASP 105 N 5.58 0.08 -3.56 2.83 1.82 -2.00 -3.44 116.42 117.72 2jqy h ASP 105 Ca -0.41 -0.23 -0.67 0.00 -0.39 0.00 0.00 57.03 55.34 2jqy h ASP 105 Cb 1.13 -0.02 -0.16 0.00 0.68 0.00 0.00 39.33 40.96 2jqy h ASP 105 CO 0.47 0.29 -0.74 0.42 -1.61 0.00 0.00 179.24 178.07 2jqy s THR 106 N -5.30 3.36 0.20 2.25 -4.23 -1.26 -4.82 115.64 105.84 2jqy s THR 106 Ca -0.14 -1.27 0.10 0.00 -1.18 0.00 0.00 61.69 59.20 2jqy s THR 106 Cb 0.05 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 2jqy s THR 106 CO 0.68 0.11 -0.15 0.00 -0.54 0.00 0.00 174.62 174.72 2jqy s ALA 107 N -1.21 2.79 -0.20 3.99 0.00 -1.08 -4.61 121.76 121.43 2jqy s ALA 107 Ca 0.21 -1.57 -0.05 0.00 0.00 0.00 0.00 51.96 50.55 2jqy s ALA 107 Cb -0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 2jqy s ALA 107 CO 0.14 0.43 -0.00 -0.80 0.00 0.00 0.00 175.76 175.53 2jqy s ASN 108 N -2.85 4.85 -0.10 0.00 0.02 -1.25 -0.76 114.94 114.84 2jqy s ASN 108 Ca 0.24 -0.19 -0.04 0.00 -1.02 0.00 0.00 52.86 51.86 2jqy s ASN 108 Cb -0.08 -1.83 -0.04 0.00 0.02 0.00 0.00 41.25 39.33 2jqy s ASN 108 CO 0.13 0.08 0.04 -0.32 0.02 0.00 0.00 177.10 177.05 2jqy s MET 109 N 0.93 3.15 -0.12 -0.60 1.75 -0.58 -4.72 119.30 119.11 2jqy s MET 109 Ca 0.01 -0.32 -0.03 0.00 -1.25 0.00 0.00 55.69 54.10 2jqy s MET 109 Cb -0.14 -2.92 -0.03 0.00 2.84 0.00 0.00 34.83 34.57 2jqy s MET 109 CO 0.02 0.71 -0.03 -0.65 -0.65 0.00 0.00 175.02 174.43 2jqy s GLN 110 N -0.89 3.37 -0.06 4.11 -1.52 0.15 -2.92 119.66 121.90 2jqy s GLN 110 Ca 0.13 -0.48 -0.03 0.00 -1.95 0.00 0.00 55.36 53.03 2jqy s GLN 110 Cb -0.12 -2.85 0.04 0.00 -0.22 0.00 0.00 33.01 29.86 2jqy s GLN 110 CO 0.03 0.43 0.14 1.03 -0.25 0.00 0.00 175.29 176.67 2jqy s ARG 111 N -0.15 0.08 0.20 2.91 0.52 -1.04 0.98 118.95 122.44 2jqy s ARG 111 Ca 0.04 0.38 -0.11 0.00 -0.52 0.00 0.00 55.73 55.52 2jqy s ARG 111 Cb -0.13 -0.19 -0.07 0.00 0.52 0.00 0.00 34.95 35.08 2jqy s ARG 111 CO 0.02 -0.18 0.54 -1.58 0.02 0.00 0.00 175.30 174.13 2jqy s TRP 112 N 1.26 3.48 -0.25 -0.53 0.51 -0.71 -1.70 118.94 121.00 2jqy s TRP 112 Ca -0.08 0.92 -0.04 0.00 -2.12 0.00 0.00 56.10 54.78 2jqy s TRP 112 Cb -0.12 -2.28 0.10 0.00 -0.81 0.00 0.00 33.47 30.36 2jqy s TRP 112 CO -0.06 0.32 0.17 0.21 -0.51 0.00 0.00 176.95 177.08 2jqy s LYS 113 N -2.55 0.19 0.01 4.98 2.20 -0.41 -2.44 119.74 121.73 2jqy s LYS 113 Ca 0.44 -0.25 0.04 0.00 -0.36 0.00 0.00 55.97 55.84 2jqy s LYS 113 Cb -0.12 -1.22 -0.03 0.00 -1.51 0.00 0.00 37.83 34.94 2jqy s LYS 113 CO 0.20 -0.89 -0.08 0.42 -0.36 0.00 0.00 175.35 174.64 2jqy s ILE 114 N 2.19 3.54 -0.33 5.43 1.09 -1.09 0.03 121.20 132.05 2jqy s ILE 114 Ca 0.07 -0.84 -0.01 0.00 -1.10 0.00 0.00 60.65 58.77 2jqy s ILE 114 Cb -0.16 -2.54 0.13 0.00 -1.06 0.00 0.00 42.46 38.84 2jqy s ILE 114 CO -0.26 0.37 0.20 0.00 -0.10 0.00 0.00 174.94 175.15 2jqy s ALA 115 N -1.00 0.68 -0.85 9.38 0.00 -0.91 -2.09 121.76 126.97 2jqy s ALA 115 Ca 0.17 -1.51 -0.23 0.00 0.00 0.00 0.00 51.96 50.39 2jqy s ALA 115 Cb -0.11 -1.58 -0.18 0.00 0.00 0.00 0.00 23.12 21.25 2jqy s ALA 115 CO 0.08 -1.96 2.26 -2.30 0.00 0.00 0.00 175.76 173.84 2jqy n PRO 116 N 4.46 0.37 -1.59 0.00 -0.02 -1.26 -2.96 135.00 134.00 2jqy n PRO 116 Ca 0.06 -0.91 -0.33 0.00 -2.02 0.00 0.00 63.50 60.30 2jqy n PRO 116 Cb 0.39 -3.33 -0.04 0.00 -0.02 0.00 0.00 33.50 30.51 2jqy n PRO 116 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jqy s ASP 117 N 8.68 4.41 -0.22 2.55 -1.08 0.07 -4.35 116.67 126.73 2jqy s ASP 117 Ca 0.91 0.89 -0.06 0.00 -0.52 0.00 0.00 52.55 53.78 2jqy s ASP 117 Cb -0.19 -2.51 -0.02 0.00 -1.46 0.00 0.00 42.92 38.73 2jqy s ASP 117 CO 0.16 -2.99 0.02 0.26 0.52 0.00 0.00 175.17 173.14 2jqy s TRP 118 N 12.37 3.06 -0.08 -5.34 0.52 -0.55 0.11 118.94 129.02 2jqy s TRP 118 Ca 0.95 -0.47 0.02 0.00 0.02 0.00 0.00 56.10 56.62 2jqy s TRP 118 Cb -0.16 -2.14 0.02 0.00 -1.15 0.00 0.00 33.47 30.04 2jqy s TRP 118 CO 0.23 -0.29 -0.12 -0.51 0.02 0.00 0.00 176.95 176.28 2jqy s ASP 119 N 1.22 1.99 -0.09 2.95 1.11 -0.87 -0.47 116.67 122.51 2jqy s ASP 119 Ca 0.04 -0.33 -0.04 0.00 0.18 0.00 0.00 52.55 52.40 2jqy s ASP 119 Cb -0.15 -0.88 0.05 0.00 1.07 0.00 0.00 42.92 43.01 2jqy s ASP 119 CO 0.02 0.00 0.20 0.54 1.18 0.00 0.00 175.17 177.11 2jqy s VAL 120 N 0.92 -0.11 0.04 -1.27 0.11 -0.73 -0.53 120.40 118.83 2jqy s VAL 120 Ca -0.09 0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 59.00 2jqy s VAL 120 Cb -0.15 -0.33 -0.06 0.00 -1.53 0.00 0.00 36.38 34.31 2jqy s VAL 120 CO 0.00 0.08 0.47 -0.75 -3.33 0.00 0.00 175.10 171.57 2jqy s LYS 121 N 1.49 3.99 -0.10 1.54 2.20 0.16 -1.97 119.74 127.05 2jqy s LYS 121 Ca -0.07 0.49 0.07 0.00 -0.36 0.00 0.00 55.97 56.10 2jqy s LYS 121 Cb -0.11 -3.17 -0.11 0.00 -1.51 0.00 0.00 37.83 32.92 2jqy s LYS 121 CO -0.07 0.64 0.00 1.28 -0.36 0.00 0.00 175.35 176.84 2jqy n LEU 122 N 1.60 0.69 -4.05 5.43 4.77 -1.25 -4.86 117.00 119.32 2jqy n LEU 122 Ca -0.11 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.71 2jqy n LEU 122 Cb 0.52 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2jqy n LEU 122 CO 0.39 0.35 0.18 0.42 -1.33 0.00 0.00 177.39 177.41 2jqy s THR 123 N -2.24 0.00 -0.82 -5.08 -4.23 -1.25 -5.05 115.64 96.97 2jqy s THR 123 Ca -0.08 -1.52 -0.05 0.00 -1.18 0.00 0.00 61.69 58.86 2jqy s THR 123 Cb 0.03 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.26 2jqy s THR 123 CO 0.38 0.00 2.76 0.47 -0.54 0.00 0.00 174.62 177.69 2jqy n ASP 124 N -1.33 7.10 0.00 3.99 8.00 -1.26 -3.84 116.55 129.20 2jqy n ASP 124 Ca -0.00 -3.03 0.00 0.00 0.71 0.00 0.00 54.79 52.47 2jqy n ASP 124 Cb 0.61 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 2jqy n ASP 124 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jqy n ASP 125 N 1.64 0.00 -4.88 -2.24 2.03 -1.26 -5.04 116.55 106.80 2jqy n ASP 125 Ca 0.56 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.51 2jqy n ASP 125 Cb 0.46 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.80 2jqy n ASP 125 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2jqy s LEU 126 N -1.18 4.39 0.03 -2.67 1.02 -1.25 -3.21 118.68 115.81 2jqy s LEU 126 Ca 0.00 0.48 0.08 0.00 0.02 0.00 0.00 54.13 54.71 2jqy s LEU 126 Cb 0.00 -2.28 -0.02 0.00 0.02 0.00 0.00 46.19 43.90 2jqy s LEU 126 CO 0.00 0.36 -0.22 -0.13 0.02 0.00 0.00 176.35 176.37 2jqy s ARG 127 N -1.31 1.55 -0.10 1.70 0.52 -0.59 -3.90 118.95 116.82 2jqy s ARG 127 Ca 0.20 -0.96 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 2jqy s ARG 127 Cb -0.13 -1.66 -0.02 0.00 0.52 0.00 0.00 34.95 33.67 2jqy s ARG 127 CO 0.09 0.43 -0.16 0.12 0.02 0.00 0.00 175.30 175.80 2jqy s PHE 128 N -0.76 2.70 0.16 -0.53 2.19 -0.83 -2.30 117.98 118.61 2jqy s PHE 128 Ca 0.09 -0.58 0.06 0.00 0.33 0.00 0.00 56.93 56.83 2jqy s PHE 128 Cb -0.09 -1.74 -0.04 0.00 -1.31 0.00 0.00 43.02 39.84 2jqy s PHE 128 CO 0.01 -0.13 -0.12 -0.80 1.83 0.00 0.00 175.22 176.01 2jqy s ASN 129 N -0.00 2.05 -0.23 6.13 -0.87 0.16 -1.77 114.94 120.42 2jqy s ASN 129 Ca -0.05 -0.99 -0.04 0.00 -1.57 0.00 0.00 52.86 50.21 2jqy s ASN 129 Cb -0.14 -0.06 0.12 0.00 -0.02 0.00 0.00 41.25 41.15 2jqy s ASN 129 CO 0.04 -0.26 0.40 -0.83 -2.57 0.00 0.00 177.10 173.89 2jqy s GLY 130 N -3.12 -0.42 -0.18 0.66 0.00 0.38 -2.06 107.32 102.57 2jqy s GLY 130 Ca 0.17 1.17 0.01 0.00 0.00 0.00 0.00 44.72 46.07 2jqy s GLY 130 CO 0.03 2.61 -0.18 0.86 0.00 0.00 0.00 173.10 176.42 2jqy s TRP 131 N 2.59 2.66 -0.48 1.90 -0.00 0.35 -1.48 118.94 124.47 2jqy s TRP 131 Ca 0.08 -1.60 -0.13 0.00 -0.00 0.00 0.00 56.10 54.45 2jqy s TRP 131 Cb -0.14 -1.84 0.10 0.00 -0.00 0.00 0.00 33.47 31.59 2jqy s TRP 131 CO -0.15 -0.78 0.38 -1.17 -0.00 0.00 0.00 176.95 175.23 2jqy s LEU 132 N 1.32 5.69 -0.35 5.86 2.96 -1.26 -0.31 118.68 132.59 2jqy s LEU 132 Ca 0.04 -1.62 -0.29 0.00 -0.22 0.00 0.00 54.13 52.04 2jqy s LEU 132 Cb -0.14 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.45 2jqy s LEU 132 CO -0.12 -0.69 1.32 -0.55 -1.32 0.00 0.00 176.35 174.99 2jqy s SER 133 N 2.79 6.56 -0.21 3.68 0.15 0.28 -3.86 113.70 123.10 2jqy s SER 133 Ca 0.04 1.01 -0.01 0.00 0.70 0.00 0.00 55.95 57.69 2jqy s SER 133 Cb -0.26 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.53 2jqy s SER 133 CO 0.03 -1.21 -0.11 -0.04 1.20 0.00 0.00 173.24 173.11 2jqy s MET 134 N 4.44 3.00 -0.13 5.44 -1.94 -0.89 -0.54 119.30 128.68 2jqy s MET 134 Ca 0.57 -0.85 -0.01 0.00 -1.71 0.00 0.00 55.69 53.68 2jqy s MET 134 Cb -0.15 -2.82 -0.02 0.00 2.01 0.00 0.00 34.83 33.85 2jqy s MET 134 CO 0.27 -0.28 -0.08 0.71 -0.01 0.00 0.00 175.02 175.62 2jqy s TYR 135 N 1.34 2.92 -0.26 -0.03 1.51 -1.05 -2.67 117.35 119.10 2jqy s TYR 135 Ca 0.03 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 2jqy s TYR 135 Cb -0.15 -1.86 0.08 0.00 -0.11 0.00 0.00 41.96 39.92 2jqy s TYR 135 CO -0.08 -0.03 0.04 0.21 -1.11 0.00 0.00 175.55 174.58 2jqy s LYS 136 N 0.13 0.98 0.36 -0.62 2.20 -1.02 -2.44 119.74 119.33 2jqy s LYS 136 Ca -0.04 -0.93 -0.26 0.00 -0.36 0.00 0.00 55.97 54.39 2jqy s LYS 136 Cb -0.14 -2.26 -0.09 0.00 -1.51 0.00 0.00 37.83 33.83 2jqy s LYS 136 CO 0.04 -0.79 1.15 -0.06 -0.36 0.00 0.00 175.35 175.33 2jqy s PHE 137 N 1.58 3.23 -0.20 4.03 0.40 -1.26 -1.74 117.98 124.01 2jqy s PHE 137 Ca 0.03 1.59 -0.16 0.00 -0.60 0.00 0.00 56.93 57.79 2jqy s PHE 137 Cb -0.18 -3.35 0.06 0.00 0.51 0.00 0.00 43.02 40.06 2jqy s PHE 137 CO -0.14 -1.07 0.52 0.00 0.70 0.00 0.00 175.22 175.23 2jqy s ALA 138 N -1.36 -1.31 0.13 5.36 0.00 0.27 -4.95 121.76 119.89 2jqy s ALA 138 Ca 0.53 1.58 0.01 0.00 0.00 0.00 0.00 51.96 54.08 2jqy s ALA 138 Cb -0.30 -0.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.89 2jqy s ALA 138 CO 0.39 -0.26 0.15 -1.71 0.00 0.00 0.00 175.76 174.32 2jqy n ASN 139 N 3.20 -0.41 -2.04 0.00 5.15 -1.26 0.33 115.26 120.23 2jqy n ASN 139 Ca -0.16 -1.73 -0.19 0.00 -0.60 0.00 0.00 54.58 51.90 2jqy n ASN 139 Cb 0.56 0.81 0.17 0.00 -0.53 0.00 0.00 39.78 40.79 2jqy n ASN 139 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2jqy n ASP 140 N -2.17 3.75 0.02 1.20 9.92 -1.26 -4.68 116.55 123.33 2jqy n ASP 140 Ca 0.01 -3.36 0.00 0.00 -0.53 0.00 0.00 54.79 50.91 2jqy n ASP 140 Cb 0.22 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 39.91 2jqy n ASP 140 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2jqy n LEU 141 N -0.83 -0.34 -2.77 0.64 0.00 -1.26 -5.10 117.00 107.33 2jqy n LEU 141 Ca 0.50 0.40 -0.03 0.00 0.00 0.00 0.00 56.01 56.88 2jqy n LEU 141 Cb 1.49 0.65 0.00 0.00 0.00 0.00 0.00 43.42 45.57 2jqy n LEU 141 CO 0.51 0.01 -0.31 -3.20 0.00 0.00 0.00 177.39 174.40 2jqy n ASN 142 N -2.66 -8.01 0.07 1.96 5.15 -1.26 -4.92 115.26 105.60 2jqy n ASN 142 Ca 0.00 1.12 -0.12 0.00 -0.60 0.00 0.00 54.58 54.98 2jqy n ASN 142 Cb 0.00 -5.32 -0.06 0.00 -0.53 0.00 0.00 39.78 33.87 2jqy n ASN 142 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jqy h THR 143 N 2.71 0.75 0.00 -0.44 1.03 -2.01 -3.39 112.91 111.55 2jqy h THR 143 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2jqy h THR 143 Cb 0.36 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 2jqy h THR 143 CO 0.13 0.00 -0.80 0.35 -0.01 0.00 0.00 175.52 175.19 2jqy n THR 144 N -5.23 0.00 0.00 0.00 -2.24 -1.26 -5.03 114.28 100.52 2jqy n THR 144 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2jqy n THR 144 Cb 0.15 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 2.89 2.30 5.15 3.38 0.00 -1.26 -4.79 105.19 112.86 2jqy n GLY 145 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 0.00 -3.52 1.61 4.01 -1.26 -4.63 117.16 111.37 2jqy n TYR 146 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 2jqy n TYR 146 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 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 0.82 0.57 -0.58 -0.72 0.00 -1.26 -5.11 120.51 114.23 2jqy n ALA 147 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.15 2jqy n ALA 147 Cb 0.00 0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2jqy n ALA 147 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jqy n ASP 148 N -2.11 0.00 -3.97 0.00 9.92 -1.25 -4.99 116.55 114.14 2jqy n ASP 148 Ca 0.02 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 54.01 2jqy n ASP 148 Cb 0.37 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.68 2jqy n ASP 148 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2jqy s THR 149 N -0.42 1.24 -0.16 -3.53 2.01 -1.26 -4.62 115.64 108.90 2jqy s THR 149 Ca 0.00 -0.45 -0.10 0.00 0.31 0.00 0.00 61.69 61.45 2jqy s THR 149 Cb 0.00 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 2jqy s THR 149 CO 0.00 0.40 0.17 -0.60 -0.69 0.00 0.00 174.62 173.90 2jqy s ARG 150 N 1.38 3.98 -0.10 4.92 6.06 -1.02 -4.46 118.95 129.70 2jqy s ARG 150 Ca 0.00 -0.12 -0.03 0.00 -2.50 0.00 0.00 55.73 53.08 2jqy s ARG 150 Cb -0.13 -3.35 0.05 0.00 0.06 0.00 0.00 34.95 31.58 2jqy s ARG 150 CO -0.06 0.44 0.12 0.54 -2.50 0.00 0.00 175.30 173.84 2jqy s VAL 151 N -0.07 -0.18 -0.11 7.11 0.11 -1.26 -2.53 120.40 123.48 2jqy s VAL 151 Ca 0.12 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 2jqy s VAL 151 Cb -0.12 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 2jqy s VAL 151 CO 0.01 0.02 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.09 2jqy s GLU 152 N 2.22 1.76 -0.05 1.54 2.02 0.29 -3.90 118.70 122.59 2jqy s GLU 152 Ca 0.04 -0.36 -0.13 0.00 0.02 0.00 0.00 54.97 54.54 2jqy s GLU 152 Cb -0.13 -1.70 -0.05 0.00 0.10 0.00 0.00 34.13 32.35 2jqy s GLU 152 CO -0.06 -0.21 0.34 -0.08 0.02 0.00 0.00 175.26 175.27 2jqy s THR 153 N 1.47 5.17 -0.12 3.63 -1.32 -1.11 0.10 115.64 123.46 2jqy s THR 153 Ca 0.02 0.67 -0.01 0.00 -1.21 0.00 0.00 61.69 61.16 2jqy s THR 153 Cb -0.13 -3.64 0.03 0.00 -1.51 0.00 0.00 72.50 67.26 2jqy s THR 153 CO -0.07 0.56 -0.03 -1.61 -2.21 0.00 0.00 174.62 171.27 2jqy s GLU 154 N -0.88 1.03 -0.44 7.08 2.02 0.57 -2.02 118.70 126.06 2jqy s GLU 154 Ca 0.21 -0.19 -0.11 0.00 0.02 0.00 0.00 54.97 54.90 2jqy s GLU 154 Cb -0.15 -1.51 0.09 0.00 0.10 0.00 0.00 34.13 32.65 2jqy s GLU 154 CO 0.10 -0.37 0.31 0.99 0.02 0.00 0.00 175.26 176.31 2jqy s THR 155 N 1.82 4.46 -0.14 3.63 2.01 -1.14 -0.50 115.64 125.78 2jqy s THR 155 Ca 0.03 -1.40 -0.09 0.00 0.31 0.00 0.00 61.69 60.54 2jqy s THR 155 Cb -0.14 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 2jqy s THR 155 CO -0.07 -0.58 0.18 -0.83 -0.69 0.00 0.00 174.62 172.63 2jqy s GLY 156 N 2.37 2.15 -0.16 4.40 0.00 -0.88 -2.36 107.32 112.86 2jqy s GLY 156 Ca 0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 44.72 44.15 2jqy s GLY 156 CO 0.03 -0.08 -0.03 -2.27 0.00 0.00 0.00 173.10 170.74 2jqy s LEU 157 N -0.43 1.38 -0.29 0.66 2.96 -1.03 0.40 118.68 122.32 2jqy s LEU 157 Ca 0.14 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 2jqy s LEU 157 Cb -0.12 -0.78 0.05 0.00 0.50 0.00 0.00 46.19 45.83 2jqy s LEU 157 CO 0.03 -0.21 -0.01 -1.58 -1.32 0.00 0.00 176.35 173.26 2jqy s GLN 158 N 1.73 2.51 -0.08 1.98 0.74 -0.97 -2.22 119.66 123.33 2jqy s GLN 158 Ca 0.01 -1.21 0.01 0.00 0.05 0.00 0.00 55.36 54.22 2jqy s GLN 158 Cb -0.15 -3.15 0.02 0.00 1.10 0.00 0.00 33.01 30.83 2jqy s GLN 158 CO -0.07 -0.58 -0.09 1.52 -0.55 0.00 0.00 175.29 175.52 2jqy s TYR 159 N 1.27 1.36 -0.12 1.67 1.13 -1.15 -1.54 117.35 119.96 2jqy s TYR 159 Ca -0.04 -0.58 -0.09 0.00 -1.41 0.00 0.00 57.07 54.95 2jqy s TYR 159 Cb -0.19 -1.09 -0.04 0.00 -1.10 0.00 0.00 41.96 39.54 2jqy s TYR 159 CO -0.01 -0.38 0.18 -0.08 -2.51 0.00 0.00 175.55 172.75 2jqy s THR 160 N 1.22 5.42 0.19 -3.49 -1.32 -1.20 -1.79 115.64 114.68 2jqy s THR 160 Ca -0.04 0.31 -0.16 0.00 -1.21 0.00 0.00 61.69 60.59 2jqy s THR 160 Cb -0.14 -3.46 0.18 0.00 -1.51 0.00 0.00 72.50 67.57 2jqy s THR 160 CO -0.02 0.58 1.63 -0.26 -2.21 0.00 0.00 174.62 174.33 2jqy h PHE 161 N 5.25 -0.39 -0.62 9.09 0.04 -1.88 -3.33 116.94 125.09 2jqy h PHE 161 Ca -0.52 0.05 -0.31 0.00 2.80 0.00 0.00 57.97 59.99 2jqy h PHE 161 Cb 1.21 0.26 -0.26 0.00 2.20 0.00 0.00 35.95 39.36 2jqy h PHE 161 CO 0.72 -0.27 -0.76 0.27 -0.60 0.00 0.00 178.31 177.68 2jqy n ASN 162 N -5.40 -0.56 -2.81 2.17 6.94 -1.26 -5.03 115.26 109.30 2jqy n ASN 162 Ca 0.05 -2.87 -0.05 0.00 -0.02 0.00 0.00 54.58 51.70 2jqy n ASN 162 Cb 0.31 0.47 0.01 0.00 -2.36 0.00 0.00 39.78 38.21 2jqy n ASN 162 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2jqy n GLU 163 N -0.11 -1.86 0.00 -3.83 2.13 -1.25 -4.92 120.64 110.80 2jqy n GLU 163 Ca 0.07 1.80 0.00 0.00 0.66 0.00 0.00 57.16 59.69 2jqy n GLU 163 Cb 0.78 -5.39 0.00 0.00 0.27 0.00 0.00 31.44 27.10 2jqy n GLU 163 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2jqy n THR 164 N -0.80 0.00 -3.61 6.31 5.66 -1.26 -5.10 114.28 115.47 2jqy n THR 164 Ca 0.07 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.67 2jqy n THR 164 Cb 0.45 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.12 2jqy n THR 164 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2jqy s VAL 165 N 0.00 4.66 -0.05 1.08 -7.23 -1.26 -4.74 120.40 112.87 2jqy s VAL 165 Ca 0.00 -0.63 0.03 0.00 -1.81 0.00 0.00 61.98 59.57 2jqy s VAL 165 Cb 0.00 -3.49 -0.03 0.00 0.56 0.00 0.00 36.38 33.42 2jqy s VAL 165 CO 0.00 -0.10 -0.11 0.00 -0.31 0.00 0.00 175.10 174.58 2jqy s ALA 166 N 1.60 2.81 -0.14 1.32 0.00 -1.25 -2.69 121.76 123.41 2jqy s ALA 166 Ca 0.03 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 2jqy s ALA 166 Cb -0.18 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 2jqy s ALA 166 CO 0.07 0.57 0.39 -0.51 0.00 0.00 0.00 175.76 176.28 2jqy s LEU 167 N -0.86 4.26 -0.17 0.00 1.02 -0.74 -3.00 118.68 119.19 2jqy s LEU 167 Ca 0.13 0.67 -0.07 0.00 0.02 0.00 0.00 54.13 54.87 2jqy s LEU 167 Cb -0.11 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.52 2jqy s LEU 167 CO 0.02 0.04 0.09 -0.60 0.02 0.00 0.00 176.35 175.92 2jqy s ARG 168 N 0.57 3.85 -0.27 1.70 3.52 0.65 -2.95 118.95 126.02 2jqy s ARG 168 Ca 0.21 -0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.52 2jqy s ARG 168 Cb -0.14 -3.22 0.09 0.00 -1.56 0.00 0.00 34.95 30.11 2jqy s ARG 168 CO 0.07 0.40 0.07 0.14 -0.81 0.00 0.00 175.30 175.17 2jqy s VAL 169 N 0.02 0.83 -0.20 7.11 -7.23 -0.94 0.42 120.40 120.40 2jqy s VAL 169 Ca 0.07 -1.14 -0.08 0.00 -1.81 0.00 0.00 61.98 59.02 2jqy s VAL 169 Cb -0.12 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 2jqy s VAL 169 CO 0.00 -0.49 0.08 0.21 -0.31 0.00 0.00 175.10 174.59 2jqy s ASN 170 N 1.67 5.67 -0.34 4.85 3.84 -0.47 -2.45 114.94 127.71 2jqy s ASN 170 Ca 0.05 0.05 -0.08 0.00 0.21 0.00 0.00 52.86 53.09 2jqy s ASN 170 Cb -0.17 -1.99 0.03 0.00 -0.55 0.00 0.00 41.25 38.57 2jqy s ASN 170 CO -0.19 0.13 0.14 -0.31 -2.79 0.00 0.00 177.10 174.08 2jqy s TYR 171 N 0.65 3.23 0.10 0.43 2.02 -0.99 -1.63 117.35 121.15 2jqy s TYR 171 Ca 0.04 -1.16 -0.22 0.00 -0.37 0.00 0.00 57.07 55.37 2jqy s TYR 171 Cb -0.13 -2.34 -0.07 0.00 -0.40 0.00 0.00 41.96 39.03 2jqy s TYR 171 CO 0.01 -0.67 0.65 -0.47 -1.57 0.00 0.00 175.55 173.51 2jqy s TYR 172 N 1.48 3.83 -0.32 2.71 6.14 0.54 -2.88 117.35 128.84 2jqy s TYR 172 Ca 0.01 1.40 -0.01 0.00 0.64 0.00 0.00 57.07 59.10 2jqy s TYR 172 Cb -0.19 -2.61 0.13 0.00 0.42 0.00 0.00 41.96 39.71 2jqy s TYR 172 CO 0.04 0.53 0.21 -1.17 0.64 0.00 0.00 175.55 175.81 2jqy s LEU 173 N -1.00 0.52 -0.11 6.97 0.20 -0.85 -1.78 118.68 122.61 2jqy s LEU 173 Ca 0.32 -1.59 -0.05 0.00 0.69 0.00 0.00 54.13 53.50 2jqy s LEU 173 Cb -0.21 -0.13 -0.04 0.00 -0.43 0.00 0.00 46.19 45.39 2jqy s LEU 173 CO 0.21 -0.36 0.06 -1.83 -0.29 0.00 0.00 176.35 174.14 2jqy s GLU 174 N 1.66 3.32 -0.00 1.98 -1.05 -0.30 -2.75 118.70 121.56 2jqy s GLU 174 Ca 0.13 -0.30 -0.00 0.00 -0.15 0.00 0.00 54.97 54.65 2jqy s GLU 174 Cb -0.18 -3.01 0.01 0.00 -0.44 0.00 0.00 34.13 30.51 2jqy s GLU 174 CO -0.18 0.65 0.01 0.50 0.95 0.00 0.00 175.26 177.19 2jqy s ARG 175 N -0.71 -0.01 0.47 -4.83 3.52 -1.25 -1.31 118.95 114.84 2jqy s ARG 175 Ca 0.12 0.04 -0.20 0.00 -0.13 0.00 0.00 55.73 55.56 2jqy s ARG 175 Cb -0.12 -0.05 -0.09 0.00 -1.56 0.00 0.00 34.95 33.13 2jqy s ARG 175 CO 0.02 -0.03 1.00 0.20 -0.81 0.00 0.00 175.30 175.68 2jqy s GLY 176 N 0.21 2.39 -0.13 8.12 0.00 -1.26 -4.56 107.32 112.09 2jqy s GLY 176 Ca -0.02 0.47 -0.24 0.00 0.00 0.00 0.00 44.72 44.93 2jqy s GLY 176 CO -0.01 0.77 0.60 -0.12 0.00 0.00 0.00 173.10 174.33 2jqy s PHE 177 N -2.16 -0.60 0.05 1.90 2.19 -1.26 -4.97 117.98 113.14 2jqy s PHE 177 Ca 0.64 1.25 -0.03 0.00 0.33 0.00 0.00 56.93 59.12 2jqy s PHE 177 Cb -0.13 0.28 -0.03 0.00 -1.31 0.00 0.00 43.02 41.83 2jqy s PHE 177 CO 0.20 -0.44 0.03 1.21 1.83 0.00 0.00 175.22 178.04 2jqy s ASN 178 N -0.49 0.36 -0.50 6.13 2.47 -1.26 -3.97 114.94 117.67 2jqy s ASN 178 Ca -0.06 -0.84 0.01 0.00 0.42 0.00 0.00 52.86 52.40 2jqy s ASN 178 Cb -0.03 0.22 0.53 0.00 -1.45 0.00 0.00 41.25 40.52 2jqy s ASN 178 CO 0.05 -0.59 1.93 0.80 -3.72 0.00 0.00 177.10 175.57 2jqy n MET 179 N 0.27 2.33 -0.69 0.43 1.56 -1.26 -4.99 117.12 114.77 2jqy n MET 179 Ca -0.16 -2.89 -0.30 0.00 -0.27 0.00 0.00 57.70 54.08 2jqy n MET 179 Cb 0.60 -2.13 0.26 0.00 2.15 0.00 0.00 33.22 34.10 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 0.05 -0.15 6.12 -1.08 -1.26 -5.01 116.67 114.04 2jqy s ASP 180 Ca 0.56 0.86 -0.13 0.00 -0.52 0.00 0.00 52.55 53.32 2jqy s ASP 180 Cb 0.46 -1.25 -0.10 0.00 -1.46 0.00 0.00 42.92 40.57 2jqy s ASP 180 CO 0.05 -4.68 0.12 0.44 0.52 0.00 0.00 175.17 171.62 2jqy h ASP 181 N -2.96 0.00 0.00 -0.34 3.32 -2.07 -3.45 116.42 110.92 2jqy h ASP 181 Ca -0.47 -0.29 -0.16 0.00 0.02 0.00 0.00 57.03 56.13 2jqy h ASP 181 Cb 1.32 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.74 2jqy h ASP 181 CO 0.35 0.91 -0.25 -1.20 -1.72 0.00 0.00 179.24 177.33 2jqy n SER 182 N -4.61 -1.34 -3.67 6.45 7.64 -1.26 -5.06 113.62 111.76 2jqy n SER 182 Ca -0.12 -2.11 -0.29 0.00 1.01 0.00 0.00 58.87 57.35 2jqy n SER 182 Cb 0.34 0.63 -0.13 0.00 -1.01 0.00 0.00 64.21 64.04 2jqy n SER 182 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jqy s ARG 183 N 0.12 1.17 -0.07 1.43 0.52 -1.26 -4.91 118.95 115.95 2jqy s ARG 183 Ca 0.08 -1.90 0.11 0.00 -0.52 0.00 0.00 55.73 53.50 2jqy s ARG 183 Cb 0.41 -2.17 -0.17 0.00 0.52 0.00 0.00 34.95 33.54 2jqy s ARG 183 CO -0.12 -1.17 0.15 -1.71 0.02 0.00 0.00 175.30 172.48 2jqy n ASN 184 N 3.62 2.16 0.00 0.23 5.15 -1.26 -4.90 115.26 120.26 2jqy n ASN 184 Ca 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2jqy n ASN 184 Cb 0.35 1.17 0.00 0.00 -0.53 0.00 0.00 39.78 40.77 2jqy n ASN 184 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2jqy n ASN 185 N -2.18 0.00 0.00 1.20 2.85 -1.26 -3.88 115.26 111.98 2jqy n ASN 185 Ca -0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 2jqy n ASN 185 Cb 0.60 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.62 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 0.00 -1.72 3.61 8.20 0.00 -1.26 -5.17 105.19 108.85 2jqy n GLY 186 Ca 0.00 0.76 -0.29 0.00 0.00 0.00 0.00 46.02 46.48 2jqy n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jqy s GLU 187 N 0.00 -0.66 0.08 1.61 2.56 -1.25 -5.08 118.70 115.96 2jqy s GLU 187 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 54.97 55.20 2jqy s GLU 187 Cb 0.00 -1.64 -0.03 0.00 2.00 0.00 0.00 34.13 34.46 2jqy s GLU 187 CO 0.00 -3.39 -0.09 -0.06 -0.56 0.00 0.00 175.26 171.16 2jqy s PHE 188 N -2.94 0.89 -0.24 5.30 0.40 -1.26 -5.09 117.98 115.05 2jqy s PHE 188 Ca 0.69 -0.65 -0.09 0.00 -0.60 0.00 0.00 56.93 56.28 2jqy s PHE 188 Cb -0.14 -0.51 -0.04 0.00 0.51 0.00 0.00 43.02 42.84 2jqy s PHE 188 CO 0.57 -0.06 0.12 -1.54 0.70 0.00 0.00 175.22 175.01 2jqy s SER 189 N -2.24 5.72 -0.20 1.36 1.04 -1.26 -4.21 113.70 113.91 2jqy s SER 189 Ca 0.01 -0.00 -0.09 0.00 0.48 0.00 0.00 55.95 56.35 2jqy s SER 189 Cb -0.04 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 64.01 2jqy s SER 189 CO -0.01 0.05 0.11 -0.89 0.98 0.00 0.00 173.24 173.48 2jqy s THR 190 N 1.16 5.14 -0.20 2.02 2.01 -0.42 -5.01 115.64 120.34 2jqy s THR 190 Ca 0.06 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.17 2jqy s THR 190 Cb -0.14 -3.35 0.03 0.00 0.01 0.00 0.00 72.50 69.05 2jqy s THR 190 CO 0.05 0.42 -0.17 0.00 -0.69 0.00 0.00 174.62 174.23 2jqy s GLN 191 N 0.56 2.83 -0.12 4.92 -2.07 -1.26 -1.14 119.66 123.37 2jqy s GLN 191 Ca 0.06 -0.95 -0.04 0.00 -1.82 0.00 0.00 55.36 52.61 2jqy s GLN 191 Cb -0.12 -2.68 -0.03 0.00 -1.09 0.00 0.00 33.01 29.08 2jqy s GLN 191 CO 0.00 -0.30 0.02 -1.21 -1.32 0.00 0.00 175.29 172.49 2jqy s GLU 192 N 1.26 3.35 0.19 9.60 0.41 -0.74 -4.97 118.70 127.79 2jqy s GLU 192 Ca 0.02 -0.38 -0.01 0.00 -0.41 0.00 0.00 54.97 54.19 2jqy s GLU 192 Cb -0.15 -2.95 -0.04 0.00 -1.78 0.00 0.00 34.13 29.21 2jqy s GLU 192 CO -0.10 0.56 0.38 0.42 -0.49 0.00 0.00 175.26 176.02 2jqy s ILE 193 N -0.46 5.22 -0.16 -1.63 1.01 -1.26 -0.34 121.20 123.58 2jqy s ILE 193 Ca 0.09 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 2jqy s ILE 193 Cb -0.12 -3.72 0.08 0.00 0.01 0.00 0.00 42.46 38.71 2jqy s ILE 193 CO 0.02 -0.14 0.27 -0.13 0.00 0.00 0.00 174.94 174.96 2jqy s ARG 194 N -3.24 0.18 -0.09 2.79 0.52 -0.65 -4.86 118.95 113.61 2jqy s ARG 194 Ca 0.38 0.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.22 2jqy s ARG 194 Cb -0.11 -0.31 -0.03 0.00 0.52 0.00 0.00 34.95 35.02 2jqy s ARG 194 CO 0.29 -0.39 -0.08 0.00 0.02 0.00 0.00 175.30 175.14 2jqy s ALA 195 N 2.42 2.92 0.29 2.13 0.00 0.42 -1.37 121.76 128.58 2jqy s ALA 195 Ca 0.03 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 2jqy s ALA 195 Cb -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2jqy s ALA 195 CO -0.10 0.48 0.48 -0.47 0.00 0.00 0.00 175.76 176.15 2jqy s TYR 196 N -0.48 0.64 -0.35 0.00 5.04 0.17 -1.19 117.35 121.17 2jqy s TYR 196 Ca 0.07 -0.97 -0.06 0.00 -2.44 0.00 0.00 57.07 53.67 2jqy s TYR 196 Cb -0.12 0.11 0.21 0.00 0.35 0.00 0.00 41.96 42.51 2jqy s TYR 196 CO 0.02 -1.08 1.08 -0.48 -1.34 0.00 0.00 175.55 173.75 2jqy s LEU 197 N -3.11 -0.35 -0.19 6.97 2.34 -1.26 -0.26 118.68 122.83 2jqy s LEU 197 Ca 0.26 -0.41 -0.29 0.00 0.06 0.00 0.00 54.13 53.75 2jqy s LEU 197 Cb -0.01 0.46 -0.04 0.00 -0.56 0.00 0.00 46.19 46.04 2jqy s LEU 197 CO 0.13 -0.01 1.86 -2.16 -1.06 0.00 0.00 176.35 175.11 2jqy s PRO 198 N 1.00 3.62 0.20 1.48 0.04 -1.16 -4.32 135.00 135.86 2jqy s PRO 198 Ca 0.24 1.90 0.09 0.00 0.04 0.00 0.00 61.00 63.26 2jqy s PRO 198 Cb 0.12 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 2jqy s PRO 198 CO -0.10 -1.53 -0.08 -0.51 0.04 0.00 0.00 177.00 174.82 2jqy s LEU 199 N 6.12 3.02 0.06 -3.56 1.02 -0.53 -3.86 118.68 120.94 2jqy s LEU 199 Ca 0.83 -0.61 0.01 0.00 0.02 0.00 0.00 54.13 54.38 2jqy s LEU 199 Cb -0.30 -1.66 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 2jqy s LEU 199 CO 0.34 0.08 -0.05 -0.89 0.02 0.00 0.00 176.35 175.84 2jqy s THR 200 N -1.87 0.41 -0.36 5.49 2.01 -1.26 -0.55 115.64 119.51 2jqy s THR 200 Ca 0.27 -1.61 0.01 0.00 0.31 0.00 0.00 61.69 60.67 2jqy s THR 200 Cb -0.08 -1.25 0.15 0.00 0.01 0.00 0.00 72.50 71.33 2jqy s THR 200 CO 0.16 -0.79 0.28 -0.76 -0.69 0.00 0.00 174.62 172.82 2jqy s LEU 201 N -2.54 0.53 0.00 4.42 1.02 0.28 -4.97 118.68 117.42 2jqy s LEU 201 Ca 0.03 -1.90 0.00 0.00 0.02 0.00 0.00 54.13 52.28 2jqy s LEU 201 Cb 0.02 0.00 0.00 0.00 0.02 0.00 0.00 46.19 46.23 2jqy s LEU 201 CO -0.05 -0.29 0.00 0.61 0.02 0.00 0.00 176.35 176.63 2jqy n GLY 202 N 4.17 0.39 1.06 -3.19 0.00 -1.26 -1.31 105.19 105.06 2jqy n GLY 202 Ca 0.11 0.72 0.02 0.00 0.00 0.00 0.00 46.02 46.87 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 2.03 1.90 -3.83 1.61 5.15 -1.26 -5.03 115.26 115.83 2jqy n ASN 203 Ca 0.00 -3.37 -0.13 0.00 -0.60 0.00 0.00 54.58 50.48 2jqy n ASN 203 Cb 0.00 -0.45 -0.15 0.00 -0.53 0.00 0.00 39.78 38.65 2jqy n ASN 203 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2jqy s HIS 204 N -2.55 -0.00 -0.03 1.20 3.76 -0.43 -4.47 115.29 112.77 2jqy s HIS 204 Ca 0.38 0.07 0.06 0.00 -0.15 0.00 0.00 55.06 55.42 2jqy s HIS 204 Cb 0.38 -0.08 -0.02 0.00 1.11 0.00 0.00 32.58 33.96 2jqy s HIS 204 CO -0.08 -0.04 -0.21 -1.12 -0.85 0.00 0.00 174.74 172.45 2jqy s SER 205 N 0.39 3.49 -0.21 1.40 0.01 0.65 0.10 113.70 119.53 2jqy s SER 205 Ca -0.03 -0.35 -0.04 0.00 1.31 0.00 0.00 55.95 56.84 2jqy s SER 205 Cb -0.05 -0.58 0.10 0.00 0.21 0.00 0.00 66.02 65.71 2jqy s SER 205 CO -0.01 0.33 0.25 0.54 0.41 0.00 0.00 173.24 174.76 2jqy s VAL 206 N -0.65 -0.37 -0.30 3.43 0.11 0.29 0.29 120.40 123.20 2jqy s VAL 206 Ca 0.10 -0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 2jqy s VAL 206 Cb -0.10 -0.72 0.08 0.00 -1.53 0.00 0.00 36.38 34.11 2jqy s VAL 206 CO -0.00 -0.21 -0.01 0.42 -3.33 0.00 0.00 175.10 171.97 2jqy s THR 207 N 2.36 2.02 0.69 5.04 -4.23 0.55 -1.46 115.64 120.61 2jqy s THR 207 Ca 0.08 -1.88 -0.10 0.00 -1.18 0.00 0.00 61.69 58.61 2jqy s THR 207 Cb -0.16 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.36 2jqy s THR 207 CO -0.14 -0.35 1.06 -2.16 -0.54 0.00 0.00 174.62 172.49 2jqy s PRO 208 N 1.10 2.80 -0.02 3.99 0.04 -1.26 -2.08 135.00 139.56 2jqy s PRO 208 Ca 0.02 0.32 0.08 0.00 0.04 0.00 0.00 61.00 61.45 2jqy s PRO 208 Cb -0.19 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 2jqy s PRO 208 CO -0.08 -1.00 -0.25 -0.47 0.04 0.00 0.00 177.00 175.24 2jqy s TYR 209 N -3.29 2.28 0.06 0.56 6.14 0.15 -4.03 117.35 119.23 2jqy s TYR 209 Ca 0.57 -0.45 -0.05 0.00 0.64 0.00 0.00 57.07 57.79 2jqy s TYR 209 Cb -0.11 -1.47 -0.02 0.00 0.42 0.00 0.00 41.96 40.78 2jqy s TYR 209 CO 0.50 -0.05 0.07 0.95 0.64 0.00 0.00 175.55 177.66 2jqy s THR 210 N -0.56 0.18 0.19 4.34 -4.23 -0.33 -0.31 115.64 114.92 2jqy s THR 210 Ca 0.09 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 2jqy s THR 210 Cb -0.10 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.38 2jqy s THR 210 CO -0.01 -0.81 0.00 -1.14 -0.54 0.00 0.00 174.62 172.12 2jqy n ARG 211 N 0.14 0.00 -4.27 3.99 0.63 -1.26 -0.43 116.66 115.45 2jqy n ARG 211 Ca -0.15 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.63 2jqy n ARG 211 Cb 0.61 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.42 2jqy n ARG 211 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 2jqy s ILE 212 N -2.00 0.31 0.00 5.15 -5.25 -1.26 -4.93 121.20 113.22 2jqy s ILE 212 Ca 0.00 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.66 2jqy s ILE 212 Cb 0.00 -2.57 0.00 0.00 2.95 0.00 0.00 42.46 42.84 2jqy s ILE 212 CO 0.00 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.76 2jqy n GLY 213 N -0.40 0.05 3.20 6.27 0.00 -1.26 -4.87 105.19 108.18 2jqy n GLY 213 Ca 0.01 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2jqy n GLY 213 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jqy n LEU 214 N 0.00 0.00 -3.62 0.99 4.77 -1.26 -4.98 117.00 112.90 2jqy n LEU 214 Ca 0.00 -3.11 -0.02 0.00 -0.03 0.00 0.00 56.01 52.85 2jqy n LEU 214 Cb 0.00 1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 42.56 2jqy n LEU 214 CO 0.00 -0.51 0.33 1.51 -1.33 0.00 0.00 177.39 177.39 2jqy s ASP 215 N -3.34 -1.02 0.27 -1.43 -4.77 -1.26 -5.17 116.67 99.95 2jqy s ASP 215 Ca 0.35 1.44 0.01 0.00 -3.30 0.00 0.00 52.55 51.06 2jqy s ASP 215 Cb 0.02 2.04 -0.00 0.00 -1.09 0.00 0.00 42.92 43.88 2jqy s ASP 215 CO 0.25 -0.21 0.33 0.54 0.70 0.00 0.00 175.17 176.79 2jqy n ARG 216 N 5.15 0.48 -0.00 2.11 5.12 -1.26 -5.12 116.66 123.14 2jqy n ARG 216 Ca -0.13 -2.38 -0.02 0.00 -1.93 0.00 0.00 57.85 53.39 2jqy n ARG 216 Cb 0.51 2.16 -0.01 0.00 -1.16 0.00 0.00 32.46 33.97 2jqy n ARG 216 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2jqy n TRP 217 N -0.48 0.00 -3.75 -1.55 7.02 -1.26 -5.00 117.44 112.43 2jqy n TRP 217 Ca 0.03 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.13 2jqy n TRP 217 Cb 0.47 -0.09 -0.13 0.00 -2.42 0.00 0.00 31.31 29.15 2jqy n TRP 217 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2jqy s SER 218 N -5.23 5.14 -0.25 -0.99 0.15 -1.26 -5.06 113.70 106.20 2jqy s SER 218 Ca -0.05 -0.59 -0.26 0.00 0.70 0.00 0.00 55.95 55.75 2jqy s SER 218 Cb 0.01 -1.90 0.12 0.00 -1.71 0.00 0.00 66.02 62.54 2jqy s SER 218 CO 0.08 -0.16 0.99 0.20 1.20 0.00 0.00 173.24 175.55 2jqy s ASN 219 N 1.53 -0.47 0.10 5.45 0.01 -1.26 -5.18 114.94 115.13 2jqy s ASN 219 Ca 0.04 0.82 0.04 0.00 -0.71 0.00 0.00 52.86 53.04 2jqy s ASN 219 Cb -0.17 0.81 -0.04 0.00 0.41 0.00 0.00 41.25 42.26 2jqy s ASN 219 CO 0.03 -0.21 -0.10 -1.66 -1.51 0.00 0.00 177.10 173.65 2jqy s TRP 220 N -0.06 1.07 0.75 2.20 -2.14 -1.26 -5.16 118.94 114.35 2jqy s TRP 220 Ca 0.02 -0.70 -0.11 0.00 2.66 0.00 0.00 56.10 57.96 2jqy s TRP 220 Cb -0.04 -0.58 0.04 0.00 -3.10 0.00 0.00 33.47 29.79 2jqy s TRP 220 CO -0.04 -0.01 1.10 0.16 -2.66 0.00 0.00 176.95 175.51 2jqy s ASP 221 N -2.63 4.95 0.31 -2.66 1.47 -1.26 -5.08 116.67 111.76 2jqy s ASP 221 Ca 0.08 1.21 0.09 0.00 1.18 0.00 0.00 52.55 55.10 2jqy s ASP 221 Cb -0.01 -1.96 -0.04 0.00 -0.34 0.00 0.00 42.92 40.56 2jqy s ASP 221 CO -0.00 -1.67 0.10 0.26 0.68 0.00 0.00 175.17 174.53 2jqy s TRP 222 N -3.27 2.74 -0.08 2.11 0.51 -1.26 -5.07 118.94 114.62 2jqy s TRP 222 Ca 0.60 -0.30 -0.08 0.00 -2.12 0.00 0.00 56.10 54.19 2jqy s TRP 222 Cb -0.13 -1.47 -0.04 0.00 -0.81 0.00 0.00 33.47 31.02 2jqy s TRP 222 CO 0.53 0.45 -0.17 1.04 -0.51 0.00 0.00 176.95 178.29 2jqy n GLN 223 N -1.07 0.27 0.08 4.98 3.00 -1.26 -4.73 117.38 118.66 2jqy n GLN 223 Ca -0.05 0.11 -0.09 0.00 -0.01 0.00 0.00 57.00 56.97 2jqy n GLN 223 Cb 0.60 -0.96 -0.06 0.00 0.00 0.00 0.00 30.24 29.82 2jqy n GLN 223 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 2jqy h ASP 224 N -0.49 0.17 -2.89 1.08 1.82 -2.07 -3.44 116.42 110.61 2jqy h ASP 224 Ca -0.15 -0.16 -0.64 0.00 -0.39 0.00 0.00 57.03 55.69 2jqy h ASP 224 Cb 0.84 -0.05 -0.08 0.00 0.68 0.00 0.00 39.33 40.72 2jqy h ASP 224 CO -0.09 1.03 -0.39 -1.81 -1.61 0.00 0.00 179.24 176.37 2jqy s ASP 225 N -6.88 6.48 -0.01 2.28 1.11 -1.26 -5.10 116.67 113.29 2jqy s ASP 225 Ca -0.02 0.57 0.05 0.00 0.18 0.00 0.00 52.55 53.34 2jqy s ASP 225 Cb 0.10 -2.13 -0.01 0.00 1.07 0.00 0.00 42.92 41.94 2jqy s ASP 225 CO 0.83 0.32 -0.17 0.27 1.18 0.00 0.00 175.17 177.60 2jqy s ILE 226 N -0.69 1.36 -0.58 0.77 -5.25 -1.26 -4.50 121.20 111.05 2jqy s ILE 226 Ca 0.17 -0.74 0.00 0.00 -0.99 0.00 0.00 60.65 59.09 2jqy s ILE 226 Cb -0.13 -1.13 0.51 0.00 2.95 0.00 0.00 42.46 44.66 2jqy s ILE 226 CO 0.06 0.38 1.96 1.21 -1.79 0.00 0.00 174.94 176.75 2jqy n GLU 227 N 2.65 2.59 -3.69 0.37 4.07 -1.26 -4.90 120.64 120.47 2jqy n GLU 227 Ca -0.15 -3.25 -0.39 0.00 -0.06 0.00 0.00 57.16 53.31 2jqy n GLU 227 Cb 0.54 -2.25 -0.12 0.00 -0.06 0.00 0.00 31.44 29.56 2jqy n GLU 227 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2jqy s ARG 228 N -3.66 2.60 0.00 5.31 1.81 -1.26 -4.78 118.95 118.96 2jqy s ARG 228 Ca 0.62 -1.29 0.00 0.00 -1.72 0.00 0.00 55.73 53.34 2jqy s ARG 228 Cb 0.49 -3.59 0.00 0.00 -0.45 0.00 0.00 34.95 31.41 2jqy s ARG 228 CO 0.02 -0.77 0.00 -0.85 -0.68 0.00 0.00 175.30 173.02 2jqy n GLU 229 N 4.85 0.00 0.00 3.54 0.28 -1.26 -5.07 120.64 122.98 2jqy n GLU 229 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 2jqy n GLU 229 Cb 0.44 -0.06 0.00 0.00 1.43 0.00 0.00 31.44 33.25 2jqy n GLU 229 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jqy n GLY 230 N -0.23 1.03 1.52 -1.84 0.00 -1.26 -5.05 105.19 99.34 2jqy n GLY 230 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2jqy n GLY 230 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jqy n HIS 231 N 0.00 0.24 -4.32 1.61 -0.00 -1.26 -5.08 115.22 106.41 2jqy n HIS 231 Ca 0.00 -0.93 -0.32 0.00 -0.00 0.00 0.00 57.72 56.46 2jqy n HIS 231 Cb 0.00 -0.18 -0.09 0.00 -0.00 0.00 0.00 29.99 29.71 2jqy n HIS 231 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2jqy s ASP 232 N -2.49 4.99 -0.51 0.26 -1.08 -1.26 -5.08 116.67 111.50 2jqy s ASP 232 Ca 0.34 -0.05 -0.26 0.00 -0.52 0.00 0.00 52.55 52.06 2jqy s ASP 232 Cb 0.38 -1.27 0.03 0.00 -1.46 0.00 0.00 42.92 40.61 2jqy s ASP 232 CO -0.13 0.28 1.02 -0.36 0.52 0.00 0.00 175.17 176.50 2jqy s PHE 233 N -1.07 2.81 0.14 -5.34 0.40 -1.26 -4.98 117.98 108.68 2jqy s PHE 233 Ca 0.19 0.35 -0.24 0.00 -0.60 0.00 0.00 56.93 56.63 2jqy s PHE 233 Cb -0.11 -4.19 0.07 0.00 0.51 0.00 0.00 43.02 39.30 2jqy s PHE 233 CO 0.10 -1.29 0.67 0.54 0.70 0.00 0.00 175.22 175.93 2jqy s ASN 234 N 2.58 -0.50 -0.03 1.36 2.20 -1.26 -4.96 114.94 114.33 2jqy s ASN 234 Ca 0.38 -0.05 -0.03 0.00 -0.94 0.00 0.00 52.86 52.23 2jqy s ASN 234 Cb -0.10 0.57 -0.01 0.00 -2.00 0.00 0.00 41.25 39.71 2jqy s ASN 234 CO 0.25 -0.93 -0.05 0.54 -2.94 0.00 0.00 177.10 173.97 2jqy n ARG 235 N -0.36 0.09 -2.43 3.55 3.00 -1.26 -5.10 116.66 114.15 2jqy n ARG 235 Ca -0.14 0.13 -0.02 0.00 -0.01 0.00 0.00 57.85 57.81 2jqy n ARG 235 Cb 0.64 -0.76 -0.01 0.00 0.00 0.00 0.00 32.46 32.33 2jqy n ARG 235 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2jqy n VAL 236 N -2.80-12.68 -1.72 1.55 0.31 -1.26 -4.88 118.33 96.84 2jqy n VAL 236 Ca -0.02 2.93 -0.39 0.00 -0.01 0.00 0.00 64.34 66.85 2jqy n VAL 236 Cb 0.08 -6.02 0.04 0.00 -0.91 0.00 0.00 33.84 27.03 2jqy n VAL 236 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jqy n GLY 237 N 1.84 0.63 3.13 2.92 0.00 0.58 -4.70 105.19 109.59 2jqy n GLY 237 Ca -0.12 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2jqy n GLY 237 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jqy s LEU 238 N -2.96 3.17 -0.32 0.99 1.02 -1.15 0.33 118.68 119.76 2jqy s LEU 238 Ca 0.70 -1.09 -0.00 0.00 0.02 0.00 0.00 54.13 53.75 2jqy s LEU 238 Cb -0.43 -1.59 0.07 0.00 0.02 0.00 0.00 46.19 44.26 2jqy s LEU 238 CO 0.51 -0.14 0.02 0.12 0.02 0.00 0.00 176.35 176.88 2jqy s PHE 239 N 1.22 3.41 0.17 0.29 5.36 -0.88 -1.92 117.98 125.63 2jqy s PHE 239 Ca -0.03 -2.26 -0.12 0.00 -0.96 0.00 0.00 56.93 53.55 2jqy s PHE 239 Cb -0.18 -2.42 -0.07 0.00 -0.34 0.00 0.00 43.02 40.01 2jqy s PHE 239 CO -0.06 -0.88 0.53 0.71 -1.46 0.00 0.00 175.22 174.07 2jqy s TYR 240 N 1.14 3.54 -0.19 10.12 2.02 -0.84 -0.33 117.35 132.81 2jqy s TYR 240 Ca -0.01 0.97 -0.02 0.00 -0.37 0.00 0.00 57.07 57.64 2jqy s TYR 240 Cb -0.20 -2.31 0.06 0.00 -0.40 0.00 0.00 41.96 39.10 2jqy s TYR 240 CO -0.04 0.38 0.01 0.20 -1.57 0.00 0.00 175.55 174.54 2jqy s GLY 241 N -1.95 0.80 0.35 0.71 0.00 0.15 -0.75 107.32 106.63 2jqy s GLY 241 Ca 0.41 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 44.44 2jqy s GLY 241 CO 0.20 1.28 0.36 -0.19 0.00 0.00 0.00 173.10 174.75 2jqy s TYR 242 N 1.78 2.91 0.00 1.90 1.51 0.14 -0.25 117.35 125.33 2jqy s TYR 242 Ca -0.01 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 2jqy s TYR 242 Cb -0.17 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 2jqy s TYR 242 CO -0.07 0.05 0.00 -3.47 -1.11 0.00 0.00 175.55 170.95 2jqy n ASP 243 N -1.49 0.00 -2.39 2.29 -0.08 -1.26 -2.19 116.55 111.42 2jqy n ASP 243 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 2jqy n ASP 243 Cb 0.60 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.05 2jqy n ASP 243 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2jqy n PHE 244 N 0.00 -1.58 0.08 -0.67 -0.00 -1.20 -4.53 117.46 109.57 2jqy n PHE 244 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2jqy n PHE 244 Cb 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 39.48 37.39 2jqy n PHE 244 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 2jqy n GLN 245 N -2.62 0.00 0.33 -4.13 7.27 -1.26 -4.86 117.38 112.10 2jqy n GLN 245 Ca -0.09 0.00 0.20 0.00 0.07 0.00 0.00 57.00 57.18 2jqy n GLN 245 Cb 0.55 0.00 1.07 0.00 2.41 0.00 0.00 30.24 34.27 2jqy n GLN 245 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 2jqy h ASN 246 N 0.00 0.00 0.00 1.69 -0.00 -1.98 -3.44 115.58 111.85 2jqy h ASN 246 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2jqy h ASN 246 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 2jqy h ASN 246 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.04 2jqy n GLY 247 N -1.15 1.37 3.54 1.57 0.00 -1.26 -5.10 105.19 104.17 2jqy n GLY 247 Ca -0.02 0.00 -0.35 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 3.57 -0.23 0.99 0.05 -1.26 -1.19 118.68 120.60 2jqy s LEU 248 Ca 0.00 -0.06 -0.15 0.00 0.05 0.00 0.00 54.13 53.98 2jqy s LEU 248 Cb 0.00 -1.91 -0.04 0.00 -2.05 0.00 0.00 46.19 42.19 2jqy s LEU 248 CO 0.00 0.11 0.35 -0.55 -0.55 0.00 0.00 176.35 175.70 2jqy s SER 249 N 0.77 6.32 -0.29 1.48 0.15 -0.45 -3.25 113.70 118.43 2jqy s SER 249 Ca 0.02 0.37 -0.08 0.00 0.70 0.00 0.00 55.95 56.96 2jqy s SER 249 Cb -0.14 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 61.96 2jqy s SER 249 CO 0.02 -0.09 0.11 -0.69 1.20 0.00 0.00 173.24 173.79 2jqy s VAL 250 N 1.51 4.36 0.12 4.45 1.01 -0.93 0.12 120.40 131.05 2jqy s VAL 250 Ca 0.16 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2jqy s VAL 250 Cb -0.15 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2jqy s VAL 250 CO 0.08 0.16 0.04 -0.44 0.00 0.00 0.00 175.10 174.94 2jqy s SER 251 N 1.59 5.16 0.01 3.32 0.01 0.29 0.23 113.70 124.31 2jqy s SER 251 Ca 0.05 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.15 2jqy s SER 251 Cb -0.16 -1.26 -0.01 0.00 0.21 0.00 0.00 66.02 64.80 2jqy s SER 251 CO 0.05 0.13 -0.08 -0.22 0.41 0.00 0.00 173.24 173.52 2jqy s LEU 252 N -2.63 2.07 -0.12 2.44 1.98 0.07 -2.68 118.68 119.80 2jqy s LEU 252 Ca 0.28 -0.23 0.02 0.00 -2.89 0.00 0.00 54.13 51.31 2jqy s LEU 252 Cb -0.11 -0.39 -0.00 0.00 0.66 0.00 0.00 46.19 46.35 2jqy s LEU 252 CO 0.20 0.04 -0.21 -0.70 -1.89 0.00 0.00 176.35 173.80 2jqy s GLU 253 N -0.49 3.13 -0.00 1.98 2.12 0.10 -1.99 118.70 123.55 2jqy s GLU 253 Ca 0.01 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 54.54 2jqy s GLU 253 Cb -0.05 -2.43 -0.01 0.00 0.26 0.00 0.00 34.13 31.91 2jqy s GLU 253 CO -0.00 0.13 -0.09 -0.47 -0.54 0.00 0.00 175.26 174.29 2jqy s TYR 254 N 0.48 0.81 -0.30 5.30 5.04 -0.81 -2.84 117.35 125.04 2jqy s TYR 254 Ca -0.14 -0.16 -0.17 0.00 -2.44 0.00 0.00 57.07 54.16 2jqy s TYR 254 Cb -0.17 -0.52 0.18 0.00 0.35 0.00 0.00 41.96 41.80 2jqy s TYR 254 CO 0.05 -0.01 1.13 0.00 -1.34 0.00 0.00 175.55 175.38 2jqy s ALA 255 N -0.25 -3.08 1.22 3.97 0.00 -1.26 -2.93 121.76 119.43 2jqy s ALA 255 Ca 0.03 1.84 -0.16 0.00 0.00 0.00 0.00 51.96 53.67 2jqy s ALA 255 Cb -0.04 -2.23 0.24 0.00 0.00 0.00 0.00 23.12 21.09 2jqy s ALA 255 CO -0.00 -1.04 0.77 1.19 0.00 0.00 0.00 175.76 176.67 2jqy n PHE 256 N 4.88 -3.59 -3.75 0.00 3.01 -1.26 -4.78 117.46 111.97 2jqy n PHE 256 Ca -0.08 -0.70 -0.36 0.00 1.01 0.00 0.00 57.45 57.32 2jqy n PHE 256 Cb 0.54 -0.86 -0.10 0.00 -0.01 0.00 0.00 39.48 39.06 2jqy n PHE 256 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2jqy s GLU 257 N -4.76 4.03 0.02 -1.08 8.01 -1.26 -5.08 118.70 118.58 2jqy s GLU 257 Ca 0.52 -0.30 -0.16 0.00 0.01 0.00 0.00 54.97 55.04 2jqy s GLU 257 Cb -0.06 -3.44 0.03 0.00 -4.31 0.00 0.00 34.13 26.35 2jqy s GLU 257 CO 0.40 0.11 0.36 -1.58 0.01 0.00 0.00 175.26 174.56 2jqy s TRP 258 N 0.88 -0.20 0.61 1.61 0.23 -1.26 -5.13 118.94 115.68 2jqy s TRP 258 Ca 0.06 0.19 0.00 0.00 -2.03 0.00 0.00 56.10 54.33 2jqy s TRP 258 Cb -0.13 0.15 0.00 0.00 0.03 0.00 0.00 33.47 33.52 2jqy s TRP 258 CO 0.03 -0.50 0.00 1.04 0.96 0.00 0.00 176.95 178.48 2jqy n GLN 259 N 0.78 -3.56 -3.61 4.98 1.13 -1.26 -5.07 117.38 110.76 2jqy n GLN 259 Ca -0.19 2.86 -0.05 0.00 -1.94 0.00 0.00 57.00 57.68 2jqy n GLN 259 Cb 0.58 -3.88 -0.02 0.00 0.11 0.00 0.00 30.24 27.04 2jqy n GLN 259 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2jqy s ASP 260 N -6.56 -0.24 0.00 1.08 2.15 -1.26 -4.89 116.67 106.95 2jqy s ASP 260 Ca 0.00 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.83 2jqy s ASP 260 Cb 0.00 0.36 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 2jqy s ASP 260 CO 0.00 -0.63 0.00 1.57 -0.17 0.00 0.00 175.17 175.94 2jqy n HIS 261 N -0.33 0.00 -3.10 -5.34 -0.00 -1.26 -5.07 115.22 100.13 2jqy n HIS 261 Ca -0.07 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.33 2jqy n HIS 261 Cb 0.61 0.31 -0.06 0.00 -0.00 0.00 0.00 29.99 30.84 2jqy n HIS 261 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2jqy s ASP 262 N -4.48 6.79 -0.47 0.26 1.01 -1.26 -4.98 116.67 113.53 2jqy s ASP 262 Ca 0.00 1.32 0.03 0.00 0.71 0.00 0.00 52.55 54.61 2jqy s ASP 262 Cb 0.00 -2.39 0.60 0.00 1.01 0.00 0.00 42.92 42.14 2jqy s ASP 262 CO 0.00 -0.23 1.91 1.21 0.21 0.00 0.00 175.17 178.28 2jqy n GLU 263 N -0.41 2.28 0.00 8.23 0.00 -1.26 -4.39 120.64 125.09 2jqy n GLU 263 Ca 0.04 -2.94 0.00 0.00 0.00 0.00 0.00 57.16 54.25 2jqy n GLU 263 Cb 0.53 -2.15 0.00 0.00 0.00 0.00 0.00 31.44 29.82 2jqy n GLU 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jqy n GLY 264 N -1.04 0.68 0.14 8.31 0.00 -1.26 -4.96 105.19 107.07 2jqy n GLY 264 Ca 0.58 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.67 2jqy n GLY 264 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jqy h ASP 265 N 0.00 0.00 -3.84 1.61 1.82 -1.99 -3.49 116.42 110.53 2jqy h ASP 265 Ca 0.00 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.70 2jqy h ASP 265 Cb 0.00 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 39.97 2jqy h ASP 265 CO 0.00 0.00 -0.85 -1.20 -1.61 0.00 0.00 179.24 175.58 2jqy n SER 266 N -2.32 -6.76 -0.05 2.28 7.64 -1.26 -4.81 113.62 108.33 2jqy n SER 266 Ca 0.02 1.45 -0.14 0.00 1.01 0.00 0.00 58.87 61.21 2jqy n SER 266 Cb 0.25 -3.96 -0.12 0.00 -1.01 0.00 0.00 64.21 59.36 2jqy n SER 266 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2jqy h ASP 267 N -0.16 0.05 -1.82 6.43 1.82 -1.90 -3.44 116.42 117.40 2jqy h ASP 267 Ca -0.04 -0.88 -0.55 0.00 -0.39 0.00 0.00 57.03 55.17 2jqy h ASP 267 Cb 0.86 -0.01 -0.08 0.00 0.68 0.00 0.00 39.33 40.78 2jqy h ASP 267 CO 0.01 0.92 -0.53 -0.54 -1.61 0.00 0.00 179.24 177.49 2jqy s LYS 268 N -2.71 2.31 -0.16 0.28 -0.14 -1.26 -5.06 119.74 113.00 2jqy s LYS 268 Ca -0.18 -1.63 0.11 0.00 -1.36 0.00 0.00 55.97 52.91 2jqy s LYS 268 Cb -0.02 -2.11 -0.17 0.00 -1.68 0.00 0.00 37.83 33.85 2jqy s LYS 268 CO 0.70 0.06 0.01 0.34 -0.76 0.00 0.00 175.35 175.70 2jqy n PHE 269 N -1.15 0.00 -4.20 3.18 7.35 -1.26 -5.03 117.46 116.34 2jqy n PHE 269 Ca -0.03 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.54 2jqy n PHE 269 Cb 0.62 -0.74 -0.10 0.00 0.35 0.00 0.00 39.48 39.61 2jqy n PHE 269 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 2jqy s HIS 270 N -2.37 1.06 0.00 -5.13 -3.43 -1.26 -4.99 115.29 99.18 2jqy s HIS 270 Ca -0.11 -0.83 0.00 0.00 -0.80 0.00 0.00 55.06 53.32 2jqy s HIS 270 Cb 0.05 -0.57 0.00 0.00 -1.43 0.00 0.00 32.58 30.62 2jqy s HIS 270 CO 0.58 -0.04 0.00 2.48 -2.00 0.00 0.00 174.74 175.76 2jqy n TYR 271 N -0.07 0.00 -3.41 0.38 4.11 -1.26 -5.07 117.16 111.85 2jqy n TYR 271 Ca -0.12 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.50 2jqy n TYR 271 Cb 0.60 0.02 -0.03 0.00 -0.00 0.00 0.00 39.34 39.94 2jqy n TYR 271 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2jqy s ALA 272 N -1.98 3.67 -0.15 -3.48 0.00 -1.26 -4.16 121.76 114.40 2jqy s ALA 272 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 2jqy s ALA 272 Cb 0.00 -2.23 0.05 0.00 0.00 0.00 0.00 23.12 20.94 2jqy s ALA 272 CO 0.00 0.26 0.37 0.20 0.00 0.00 0.00 175.76 176.59 2jqy s GLY 273 N -3.23 -0.28 -0.16 0.00 0.00 -1.13 -4.46 107.32 98.05 2jqy s GLY 273 Ca 0.43 1.35 0.01 0.00 0.00 0.00 0.00 44.72 46.51 2jqy s GLY 273 CO 0.30 1.49 -0.18 0.14 0.00 0.00 0.00 173.10 174.85 2jqy s VAL 274 N 1.20 2.37 -0.03 1.40 1.01 -0.86 0.02 120.40 125.52 2jqy s VAL 274 Ca -0.08 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 2jqy s VAL 274 Cb -0.08 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.32 2jqy s VAL 274 CO -0.10 0.52 0.16 -0.83 0.00 0.00 0.00 175.10 174.85 2jqy s GLY 275 N 1.01 -0.04 0.20 4.51 0.00 -1.09 0.20 107.32 112.10 2jqy s GLY 275 Ca -0.02 0.17 0.08 0.00 0.00 0.00 0.00 44.72 44.95 2jqy s GLY 275 CO -0.05 0.06 -0.15 -1.34 0.00 0.00 0.00 173.10 171.62 2jqy s VAL 276 N -0.71 1.74 -0.33 1.40 -7.23 -0.34 0.11 120.40 115.05 2jqy s VAL 276 Ca -0.08 -2.16 0.01 0.00 -1.81 0.00 0.00 61.98 57.95 2jqy s VAL 276 Cb -0.05 -2.00 0.15 0.00 0.56 0.00 0.00 36.38 35.04 2jqy s VAL 276 CO 0.01 -0.55 0.35 0.20 -0.31 0.00 0.00 175.10 174.80 2jqy s ASN 277 N -3.20 1.30 -0.23 4.85 -0.87 0.33 -1.40 114.94 115.72 2jqy s ASN 277 Ca 0.21 -1.10 -0.21 0.00 -1.57 0.00 0.00 52.86 50.19 2jqy s ASN 277 Cb -0.02 0.60 -0.02 0.00 -0.02 0.00 0.00 41.25 41.79 2jqy s ASN 277 CO 0.07 -0.33 0.67 -0.47 -2.57 0.00 0.00 177.10 174.47 2jqy s TYR 278 N 1.95 3.32 -0.00 2.20 6.14 0.11 -1.34 117.35 129.74 2jqy s TYR 278 Ca 0.13 0.92 0.00 0.00 0.64 0.00 0.00 57.07 58.77 2jqy s TYR 278 Cb -0.14 -2.87 0.00 0.00 0.42 0.00 0.00 41.96 39.37 2jqy s TYR 278 CO -0.19 -0.28 -0.01 -1.54 0.64 0.00 0.00 175.55 174.16 2jqy s SER 279 N 1.35 0.19 0.00 4.32 1.04 -0.34 -0.62 113.70 119.64 2jqy s SER 279 Ca 0.29 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2jqy s SER 279 Cb -0.16 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2jqy s SER 279 CO 0.09 0.00 0.00 0.33 0.98 0.00 0.00 173.24 174.64