#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 3.04 -0.02 3.49 2.02 -1.26 -4.79 118.70 121.18 2jqy s GLU 2 Ca 0.00 -0.83 -0.00 0.00 0.02 0.00 0.00 54.97 54.16 2jqy s GLU 2 Cb 0.00 -2.86 -0.01 0.00 0.10 0.00 0.00 34.13 31.36 2jqy s GLU 2 CO 0.00 -0.28 -0.01 0.54 0.02 0.00 0.00 175.26 175.52 2jqy n ARG 3 N 4.69 0.04 0.28 1.61 5.12 -1.26 -4.67 116.66 122.46 2jqy n ARG 3 Ca -0.18 0.01 0.12 0.00 -1.93 0.00 0.00 57.85 55.87 2jqy n ARG 3 Cb 0.49 -0.97 0.80 0.00 -1.16 0.00 0.00 32.46 31.62 2jqy n ARG 3 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2jqy h ASN 4 N -0.01 0.00 -2.01 0.55 4.21 -1.91 -3.46 115.58 112.95 2jqy h ASN 4 Ca -0.03 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.17 2jqy h ASN 4 Cb 1.05 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.22 2jqy h ASN 4 CO -0.01 0.00 -0.38 0.47 -1.29 0.00 0.00 177.43 176.22 2jqy n ASP 5 N -4.14 -4.66 -2.11 5.81 9.92 -1.26 -4.46 116.55 115.65 2jqy n ASP 5 Ca -0.03 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2jqy n ASP 5 Cb 0.09 -3.75 0.00 0.00 -0.64 0.00 0.00 41.12 36.82 2jqy n ASP 5 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 2jqy n TRP 6 N -3.83 -4.67 -3.77 1.24 8.01 -1.20 -4.96 117.44 108.26 2jqy n TRP 6 Ca -0.18 2.80 -0.37 0.00 -1.31 0.00 0.00 57.50 58.44 2jqy n TRP 6 Cb 0.62 -3.67 -0.13 0.00 -2.01 0.00 0.00 31.31 26.12 2jqy n TRP 6 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 2jqy s HIS 7 N -0.52 3.20 0.02 -5.99 3.76 -1.09 -4.88 115.29 109.78 2jqy s HIS 7 Ca 0.00 -1.28 -0.21 0.00 -0.15 0.00 0.00 55.06 53.42 2jqy s HIS 7 Cb 0.00 -2.25 -0.06 0.00 1.11 0.00 0.00 32.58 31.39 2jqy s HIS 7 CO 0.00 -0.68 0.63 -0.06 -0.85 0.00 0.00 174.74 173.78 2jqy s PHE 8 N 1.43 3.71 -0.13 1.40 0.40 -1.11 -2.70 117.98 120.97 2jqy s PHE 8 Ca -0.00 1.27 -0.08 0.00 -0.60 0.00 0.00 56.93 57.52 2jqy s PHE 8 Cb -0.18 -2.64 0.05 0.00 0.51 0.00 0.00 43.02 40.75 2jqy s PHE 8 CO 0.02 0.36 0.33 1.21 0.70 0.00 0.00 175.22 177.84 2jqy s ASN 9 N -0.28 -0.38 0.14 1.36 3.84 -1.06 -1.80 114.94 116.77 2jqy s ASN 9 Ca 0.32 0.69 0.08 0.00 0.21 0.00 0.00 52.86 54.17 2jqy s ASN 9 Cb -0.19 0.60 -0.04 0.00 -0.55 0.00 0.00 41.25 41.07 2jqy s ASN 9 CO 0.19 -0.17 -0.18 -0.63 -2.79 0.00 0.00 177.10 173.52 2jqy s ILE 10 N 1.09 1.69 -0.27 -5.21 1.01 0.31 -0.67 121.20 119.15 2jqy s ILE 10 Ca -0.07 -1.80 -0.08 0.00 0.00 0.00 0.00 60.65 58.69 2jqy s ILE 10 Cb -0.08 -1.72 0.12 0.00 0.01 0.00 0.00 42.46 40.80 2jqy s ILE 10 CO -0.08 -0.28 0.57 -0.83 0.00 0.00 0.00 174.94 174.32 2jqy s GLY 11 N -2.46 -0.63 0.16 6.18 0.00 0.12 -2.15 107.32 108.54 2jqy s GLY 11 Ca 0.12 2.05 0.07 0.00 0.00 0.00 0.00 44.72 46.95 2jqy s GLY 11 CO 0.05 2.88 -0.14 0.00 0.00 0.00 0.00 173.10 175.89 2jqy s ALA 12 N 2.81 1.75 -0.06 3.20 0.00 0.07 0.57 121.76 130.10 2jqy s ALA 12 Ca -0.03 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.44 2jqy s ALA 12 Cb -0.12 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.95 2jqy s ALA 12 CO -0.17 0.07 -0.06 -1.64 0.00 0.00 0.00 175.76 173.96 2jqy s MET 13 N -3.26 1.06 0.08 0.00 -1.94 -0.63 -1.77 119.30 112.84 2jqy s MET 13 Ca 0.16 -0.17 0.03 0.00 -1.71 0.00 0.00 55.69 54.01 2jqy s MET 13 Cb -0.02 -1.04 -0.03 0.00 2.01 0.00 0.00 34.83 35.74 2jqy s MET 13 CO 0.04 -0.10 -0.09 0.71 -0.01 0.00 0.00 175.02 175.58 2jqy s TYR 14 N 1.04 0.93 -0.10 -0.03 1.51 0.17 -2.75 117.35 118.11 2jqy s TYR 14 Ca -0.09 -0.66 0.01 0.00 -1.01 0.00 0.00 57.07 55.32 2jqy s TYR 14 Cb -0.14 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.20 2jqy s TYR 14 CO -0.00 -0.05 -0.13 -1.21 -1.11 0.00 0.00 175.55 173.05 2jqy s GLU 15 N -2.66 1.96 -0.20 -0.62 2.02 -1.26 -0.39 118.70 117.55 2jqy s GLU 15 Ca 0.03 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 54.56 2jqy s GLU 15 Cb -0.03 -1.73 0.02 0.00 0.10 0.00 0.00 34.13 32.49 2jqy s GLU 15 CO -0.01 -0.10 -0.17 -1.50 0.02 0.00 0.00 175.26 173.50 2jqy s ILE 16 N 1.12 2.21 0.27 -1.63 2.07 -0.49 -4.97 121.20 119.77 2jqy s ILE 16 Ca -0.05 -1.01 -0.01 0.00 -1.41 0.00 0.00 60.65 58.18 2jqy s ILE 16 Cb -0.14 -1.99 -0.04 0.00 0.13 0.00 0.00 42.46 40.41 2jqy s ILE 16 CO -0.03 0.44 0.47 -0.70 -1.91 0.00 0.00 174.94 173.21 2jqy s GLU 17 N 1.28 3.53 0.91 3.50 2.56 -1.26 -4.32 118.70 124.89 2jqy s GLU 17 Ca 0.03 -0.30 -0.13 0.00 0.00 0.00 0.00 54.97 54.57 2jqy s GLU 17 Cb -0.14 -2.75 0.14 0.00 2.00 0.00 0.00 34.13 33.38 2jqy s GLU 17 CO -0.11 0.29 1.16 0.54 -0.56 0.00 0.00 175.26 176.57 2jqy s ASN 18 N -3.49 3.56 -0.33 -1.70 2.20 -1.26 -4.92 114.94 108.99 2jqy s ASN 18 Ca 0.40 0.87 -0.28 0.00 -0.94 0.00 0.00 52.86 52.91 2jqy s ASN 18 Cb -0.10 -1.38 -0.04 0.00 -2.00 0.00 0.00 41.25 37.72 2jqy s ASN 18 CO 0.31 -2.51 2.13 0.68 -2.94 0.00 0.00 177.10 174.77 2jqy s VAL 19 N -3.36 3.15 -0.37 3.54 -7.23 -1.26 -4.86 120.40 110.00 2jqy s VAL 19 Ca 0.64 0.14 0.04 0.00 -1.81 0.00 0.00 61.98 60.99 2jqy s VAL 19 Cb -0.13 -3.23 0.18 0.00 0.56 0.00 0.00 36.38 33.76 2jqy s VAL 19 CO 0.53 -0.17 0.71 -0.70 -0.31 0.00 0.00 175.10 175.15 2jqy s GLU 20 N 6.65 0.65 0.00 4.82 2.12 -1.26 -5.14 118.70 126.54 2jqy s GLU 20 Ca 0.92 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 56.17 2jqy s GLU 20 Cb -0.25 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.24 2jqy s GLU 20 CO 0.32 -0.97 0.00 0.41 -0.54 0.00 0.00 175.26 174.47 2jqy n GLY 21 N 4.48 4.24 1.80 -1.50 0.00 -1.26 -4.99 105.19 107.96 2jqy n GLY 21 Ca 0.09 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2jqy n GLY 21 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jqy n TYR 22 N -0.90 -1.10 -3.68 1.61 4.01 -1.26 -5.03 117.16 110.81 2jqy n TYR 22 Ca 0.00 0.19 -0.29 0.00 -0.16 0.00 0.00 57.90 57.64 2jqy n TYR 22 Cb 0.00 0.44 -0.13 0.00 -0.31 0.00 0.00 39.34 39.34 2jqy n TYR 22 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2jqy s GLY 23 N -4.90 1.59 0.00 2.72 0.00 -1.26 -4.84 107.32 100.63 2jqy s GLY 23 Ca 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 44.72 42.19 2jqy s GLY 23 CO 0.00 1.61 0.00 1.18 0.00 0.00 0.00 173.10 175.89 2jqy n GLU 24 N 3.56 0.00 -3.17 2.90 -0.58 -1.26 -5.04 120.64 117.04 2jqy n GLU 24 Ca 0.10 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.66 2jqy n GLU 24 Cb 0.35 -0.05 0.05 0.00 -0.57 0.00 0.00 31.44 31.22 2jqy n GLU 24 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2jqy n ASP 25 N -1.74 -5.24 -2.73 1.62 8.00 -1.26 -4.94 116.55 110.27 2jqy n ASP 25 Ca 0.00 -0.35 -0.08 0.00 0.71 0.00 0.00 54.79 55.07 2jqy n ASP 25 Cb 0.00 -3.92 0.09 0.00 -0.02 0.00 0.00 41.12 37.27 2jqy n ASP 25 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2jqy n MET 26 N -3.70 0.89 -3.15 -1.24 1.56 -1.26 -5.09 117.12 105.13 2jqy n MET 26 Ca -0.02 -1.77 0.04 0.00 -0.27 0.00 0.00 57.70 55.68 2jqy n MET 26 Cb 0.56 -1.00 -0.00 0.00 2.15 0.00 0.00 33.22 34.93 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 -1.22 -1.46 0.00 6.12 -1.08 -1.26 -5.07 116.67 112.71 2jqy s ASP 27 Ca 0.23 0.17 0.00 0.00 -0.52 0.00 0.00 52.55 52.43 2jqy s ASP 27 Cb 0.28 1.92 0.00 0.00 -1.46 0.00 0.00 42.92 43.66 2jqy s ASP 27 CO -0.09 -0.27 0.00 0.61 0.52 0.00 0.00 175.17 175.94 2jqy n GLY 28 N 5.37 0.61 3.76 2.66 0.00 -1.26 -5.04 105.19 111.30 2jqy n GLY 28 Ca 0.06 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2jqy n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jqy s LEU 29 N 0.00 3.84 -0.54 0.99 2.96 -1.26 -4.87 118.68 119.80 2jqy s LEU 29 Ca 0.00 2.37 0.05 0.00 -0.22 0.00 0.00 54.13 56.33 2jqy s LEU 29 Cb 0.00 -4.41 0.19 0.00 0.50 0.00 0.00 46.19 42.47 2jqy s LEU 29 CO 0.00 -1.26 0.46 0.00 -1.32 0.00 0.00 176.35 174.23 2jqy n ALA 30 N -1.03 3.14 -3.46 5.97 0.00 -1.26 -4.86 120.51 119.01 2jqy n ALA 30 Ca 0.10 -3.83 -0.30 0.00 0.00 0.00 0.00 53.44 49.41 2jqy n ALA 30 Cb 0.49 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 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 2.15 2.68 -2.33 0.00 2.13 -1.26 -3.82 120.64 120.18 2jqy n GLU 31 Ca 0.25 -4.62 -0.43 0.00 0.66 0.00 0.00 57.16 53.02 2jqy n GLU 31 Cb 0.43 -2.31 -0.02 0.00 0.27 0.00 0.00 31.44 29.81 2jqy n GLU 31 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2jqy s PRO 32 N -2.29 4.17 -0.01 5.31 0.04 -1.26 -4.88 135.00 136.08 2jqy s PRO 32 Ca 0.36 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 63.04 2jqy s PRO 32 Cb 0.09 -3.83 -0.05 0.00 0.04 0.00 0.00 34.50 30.75 2jqy s PRO 32 CO -0.03 -0.81 0.27 -1.12 0.04 0.00 0.00 177.00 175.36 2jqy s SER 33 N 2.43 6.52 0.24 6.66 0.01 -1.11 -4.75 113.70 123.71 2jqy s SER 33 Ca 0.59 0.61 0.11 0.00 1.31 0.00 0.00 55.95 58.57 2jqy s SER 33 Cb -0.23 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 2jqy s SER 33 CO 0.19 0.28 -0.14 -0.69 0.41 0.00 0.00 173.24 173.29 2jqy s VAL 34 N -1.23 2.84 -0.24 3.43 1.01 -1.17 -1.61 120.40 123.42 2jqy s VAL 34 Ca 0.25 -2.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.01 2jqy s VAL 34 Cb -0.13 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.86 2jqy s VAL 34 CO 0.14 -0.28 0.61 -0.31 0.00 0.00 0.00 175.10 175.26 2jqy s TYR 35 N -2.13 -0.86 0.10 5.22 2.02 0.19 -2.92 117.35 118.97 2jqy s TYR 35 Ca 0.27 1.83 0.03 0.00 -0.37 0.00 0.00 57.07 58.83 2jqy s TYR 35 Cb -0.07 0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 41.90 2jqy s TYR 35 CO 0.15 -0.43 -0.08 -0.06 -1.57 0.00 0.00 175.55 173.56 2jqy s PHE 36 N 1.20 0.97 -0.01 2.71 0.08 0.33 0.16 117.98 123.42 2jqy s PHE 36 Ca -0.07 -0.76 -0.10 0.00 0.12 0.00 0.00 56.93 56.11 2jqy s PHE 36 Cb -0.06 -0.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 2jqy s PHE 36 CO -0.12 -0.06 0.21 1.21 -0.10 0.00 0.00 175.22 176.35 2jqy s ASN 37 N -2.70 -0.07 -0.21 1.36 3.84 0.15 -1.70 114.94 115.61 2jqy s ASN 37 Ca 0.08 -0.06 -0.04 0.00 0.21 0.00 0.00 52.86 53.04 2jqy s ASN 37 Cb 0.01 0.26 0.11 0.00 -0.55 0.00 0.00 41.25 41.08 2jqy s ASN 37 CO -0.02 -0.39 0.36 0.00 -2.79 0.00 0.00 177.10 174.26 2jqy s ALA 38 N -1.29 -0.97 -0.26 1.71 0.00 0.36 -2.55 121.76 118.76 2jqy s ALA 38 Ca -0.14 1.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.67 2jqy s ALA 38 Cb -0.06 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 2jqy s ALA 38 CO 0.03 -1.05 0.42 0.00 0.00 0.00 0.00 175.76 175.16 2jqy s ALA 39 N 2.53 3.57 -0.41 0.00 0.00 -1.10 -0.22 121.76 126.13 2jqy s ALA 39 Ca 0.07 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2jqy s ALA 39 Cb -0.14 -2.76 0.14 0.00 0.00 0.00 0.00 23.12 20.36 2jqy s ALA 39 CO -0.14 -0.64 0.25 1.21 0.00 0.00 0.00 175.76 176.43 2jqy s ASN 40 N 1.54 3.17 1.47 0.00 3.84 -0.06 -2.69 114.94 122.22 2jqy s ASN 40 Ca 0.17 -2.53 0.00 0.00 0.21 0.00 0.00 52.86 50.72 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 0.09 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 174.75 2jqy n GLY 41 N 3.63 2.25 1.03 1.21 0.00 -1.26 -2.77 105.19 109.27 2jqy n GLY 41 Ca 0.13 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 12.93 2.52 -3.69 1.61 -0.04 -1.26 -4.78 135.00 142.30 2jqy n PRO 42 Ca 0.00 -1.27 -0.19 0.00 -0.04 0.00 0.00 63.50 62.00 2jqy n PRO 42 Cb 0.00 -1.76 -0.18 0.00 -0.04 0.00 0.00 33.50 31.52 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 -1.71 0.05 -0.35 0.54 -0.11 -1.11 -2.94 118.94 113.30 2jqy s TRP 43 Ca 0.22 0.25 -0.01 0.00 1.22 0.00 0.00 56.10 57.78 2jqy s TRP 43 Cb 0.16 -0.43 0.08 0.00 -1.50 0.00 0.00 33.47 31.79 2jqy s TRP 43 CO 0.07 -0.17 0.09 0.50 -4.62 0.00 0.00 176.95 172.82 2jqy s ARG 44 N 1.96 2.07 0.16 5.86 3.52 -0.92 -0.88 118.95 130.73 2jqy s ARG 44 Ca 0.02 -1.61 -0.26 0.00 -0.13 0.00 0.00 55.73 53.75 2jqy s ARG 44 Cb -0.12 -3.35 -0.08 0.00 -1.56 0.00 0.00 34.95 29.84 2jqy s ARG 44 CO -0.03 -0.87 0.79 -1.50 -0.81 0.00 0.00 175.30 172.88 2jqy s ILE 45 N 1.14 4.37 -0.05 4.11 1.10 0.69 -1.62 121.20 130.94 2jqy s ILE 45 Ca 0.03 1.72 -0.02 0.00 -0.51 0.00 0.00 60.65 61.88 2jqy s ILE 45 Cb -0.21 -4.15 0.03 0.00 0.15 0.00 0.00 42.46 38.28 2jqy s ILE 45 CO -0.04 0.51 0.05 0.00 -2.11 0.00 0.00 174.94 173.35 2jqy s ALA 46 N -1.08 0.34 0.05 1.50 0.00 -0.02 0.13 121.76 122.68 2jqy s ALA 46 Ca 0.36 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.44 2jqy s ALA 46 Cb -0.23 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2jqy s ALA 46 CO 0.26 -0.51 0.09 -1.17 0.00 0.00 0.00 175.76 174.44 2jqy s LEU 47 N 2.13 3.88 0.06 0.00 2.96 -0.69 0.11 118.68 127.12 2jqy s LEU 47 Ca 0.05 0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.95 2jqy s LEU 47 Cb -0.12 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 2jqy s LEU 47 CO -0.04 0.20 0.13 0.00 -1.32 0.00 0.00 176.35 175.32 2jqy s ALA 48 N -1.34 -0.10 -0.22 5.97 0.00 -0.18 0.12 121.76 126.01 2jqy s ALA 48 Ca 0.28 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.65 2jqy s ALA 48 Cb -0.12 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.38 2jqy s ALA 48 CO 0.20 -0.40 -0.15 0.71 0.00 0.00 0.00 175.76 176.12 2jqy s TYR 49 N -3.22 2.99 -0.30 0.00 2.02 -1.15 0.11 117.35 117.79 2jqy s TYR 49 Ca 0.00 -1.98 -0.04 0.00 -0.37 0.00 0.00 57.07 54.69 2jqy s TYR 49 Cb 0.02 -1.90 0.04 0.00 -0.40 0.00 0.00 41.96 39.72 2jqy s TYR 49 CO -0.07 -0.84 0.03 -0.47 -1.57 0.00 0.00 175.55 172.63 2jqy s TYR 50 N 1.21 3.20 0.07 2.71 6.14 -1.07 -3.04 117.35 126.57 2jqy s TYR 50 Ca -0.02 -1.54 -0.13 0.00 0.64 0.00 0.00 57.07 56.01 2jqy s TYR 50 Cb -0.17 -2.17 0.02 0.00 0.42 0.00 0.00 41.96 40.07 2jqy s TYR 50 CO -0.09 -0.73 0.30 1.14 0.64 0.00 0.00 175.55 176.81 2jqy s GLN 51 N 1.35 0.87 -0.14 4.97 -2.07 -1.26 -2.40 119.66 120.98 2jqy s GLN 51 Ca -0.02 -0.64 -0.01 0.00 -1.82 0.00 0.00 55.36 52.87 2jqy s GLN 51 Cb -0.19 0.37 0.04 0.00 -1.09 0.00 0.00 33.01 32.15 2jqy s GLN 51 CO -0.00 -0.29 -0.03 -1.83 -1.32 0.00 0.00 175.29 171.82 2jqy s GLU 52 N -3.08 1.12 0.37 9.60 -1.05 -1.26 -4.67 118.70 119.74 2jqy s GLU 52 Ca -0.01 -0.32 -0.19 0.00 -0.15 0.00 0.00 54.97 54.29 2jqy s GLU 52 Cb 0.01 -1.74 -0.10 0.00 -0.44 0.00 0.00 34.13 31.86 2jqy s GLU 52 CO -0.07 -0.42 0.86 0.20 0.95 0.00 0.00 175.26 176.79 2jqy s GLY 53 N 1.76 2.41 -0.30 -3.83 0.00 -1.25 -4.89 107.32 101.22 2jqy s GLY 53 Ca 0.02 0.27 -0.06 0.00 0.00 0.00 0.00 44.72 44.95 2jqy s GLY 53 CO -0.07 0.54 3.41 -1.55 0.00 0.00 0.00 173.10 175.42 2jqy n PRO 54 N -0.40 2.33 -3.85 2.90 -0.04 -1.26 -4.68 135.00 130.01 2jqy n PRO 54 Ca 0.05 -1.38 -0.30 0.00 -0.04 0.00 0.00 63.50 61.82 2jqy n PRO 54 Cb 0.53 -2.14 -0.01 0.00 -0.04 0.00 0.00 33.50 31.85 2jqy n PRO 54 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2jqy n VAL 55 N 2.42 -1.21 -2.66 0.52 0.31 -1.26 -3.29 118.33 113.17 2jqy n VAL 55 Ca 0.49 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.79 2jqy n VAL 55 Cb 0.77 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 2jqy n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2jqy n ASP 56 N -2.55 -7.47 -3.61 4.52 9.92 -1.26 -4.98 116.55 111.11 2jqy n ASP 56 Ca 0.04 0.96 -0.12 0.00 -0.53 0.00 0.00 54.79 55.15 2jqy n ASP 56 Cb 0.51 -4.98 -0.05 0.00 -0.64 0.00 0.00 41.12 35.96 2jqy n ASP 56 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2jqy s TYR 57 N -1.90 0.74 0.14 1.24 1.51 -1.21 -5.06 117.35 112.81 2jqy s TYR 57 Ca 0.10 -1.04 -0.01 0.00 -1.01 0.00 0.00 57.07 55.10 2jqy s TYR 57 Cb -0.03 0.04 -0.09 0.00 -0.11 0.00 0.00 41.96 41.77 2jqy s TYR 57 CO 0.71 -1.06 1.31 0.77 -1.11 0.00 0.00 175.55 176.17 2jqy h SER 58 N 2.21 0.39 -5.16 2.29 0.02 -1.98 -3.48 113.55 107.83 2jqy h SER 58 Ca -0.28 -0.33 -0.39 0.00 -0.84 0.00 0.00 61.79 59.95 2jqy h SER 58 Cb 1.25 -0.12 0.11 0.00 0.14 0.00 0.00 62.40 63.77 2jqy h SER 58 CO 0.39 1.15 -0.64 0.00 -1.14 0.00 0.00 176.83 176.59 2jqy n ALA 59 N -2.50 -1.14 -0.04 3.77 0.00 -1.26 -4.92 120.51 114.42 2jqy n ALA 59 Ca -0.05 0.35 -0.17 0.00 0.00 0.00 0.00 53.44 53.57 2jqy n ALA 59 Cb 0.85 -4.77 -0.13 0.00 0.00 0.00 0.00 19.45 15.40 2jqy n ALA 59 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jqy h GLY 60 N -2.12 0.11 0.00 0.00 0.00 -2.01 -3.41 103.07 95.64 2jqy h GLY 60 Ca -0.54 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.52 2jqy h GLY 60 CO 0.55 0.24 0.00 0.28 0.00 0.00 0.00 176.54 177.61 2jqy n LYS 61 N -4.43 0.00 -0.89 4.80 5.02 -1.26 -4.82 118.16 116.58 2jqy n LYS 61 Ca -0.13 0.26 -0.30 0.00 -2.02 0.00 0.00 58.31 56.11 2jqy n LYS 61 Cb 0.61 -1.23 0.26 0.00 -0.02 0.00 0.00 35.03 34.65 2jqy n LYS 61 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jqy s ARG 62 N -1.93 -1.88 -0.34 1.97 0.52 -1.26 -4.99 118.95 111.04 2jqy s ARG 62 Ca 0.00 -0.09 0.16 0.00 -0.52 0.00 0.00 55.73 55.28 2jqy s ARG 62 Cb 0.00 -1.52 0.44 0.00 0.52 0.00 0.00 34.95 34.39 2jqy s ARG 62 CO 0.00 -4.14 1.07 0.41 0.02 0.00 0.00 175.30 172.67 2jqy n GLY 63 N -0.33 1.48 3.11 -3.53 0.00 -1.23 -4.92 105.19 99.78 2jqy n GLY 63 Ca 0.14 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 2jqy n GLY 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jqy s THR 64 N -2.21 3.72 -0.31 2.61 -4.23 -1.26 -4.06 115.64 109.91 2jqy s THR 64 Ca 0.25 -2.70 -0.12 0.00 -1.18 0.00 0.00 61.69 57.94 2jqy s THR 64 Cb 0.44 -3.44 0.19 0.00 1.34 0.00 0.00 72.50 71.02 2jqy s THR 64 CO -0.00 -0.84 1.08 0.86 -0.54 0.00 0.00 174.62 175.18 2jqy s TRP 65 N 0.26 -0.34 0.00 3.99 -0.11 -1.26 -4.91 118.94 116.57 2jqy s TRP 65 Ca 0.15 0.15 0.00 0.00 1.22 0.00 0.00 56.10 57.62 2jqy s TRP 65 Cb -0.21 0.06 0.00 0.00 -1.50 0.00 0.00 33.47 31.82 2jqy s TRP 65 CO -0.04 -0.21 0.00 0.34 -4.62 0.00 0.00 176.95 172.43 2jqy n PHE 66 N 4.62 -0.52 -3.13 5.86 -0.00 -1.26 -5.04 117.46 117.98 2jqy n PHE 66 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 2jqy n PHE 66 Cb 0.60 0.22 0.00 0.00 -0.00 0.00 0.00 39.48 40.30 2jqy n PHE 66 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2jqy n ASP 67 N -1.65 -2.90 -3.63 -2.13 9.92 -1.26 -4.87 116.55 110.03 2jqy n ASP 67 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2jqy n ASP 67 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 2jqy n ASP 67 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2jqy s ARG 68 N 0.00 0.46 0.00 -1.24 0.52 -1.01 -3.84 118.95 113.84 2jqy s ARG 68 Ca 0.00 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 2jqy s ARG 68 Cb 0.00 0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.63 2jqy s ARG 68 CO 0.00 -0.21 0.00 -0.35 0.02 0.00 0.00 175.30 174.76 2jqy n PRO 69 N -0.44 -0.24 -4.04 3.54 -0.04 -1.26 -2.59 135.00 129.93 2jqy n PRO 69 Ca -0.07 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.29 2jqy n PRO 69 Cb 0.62 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.00 2jqy n PRO 69 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2jqy s GLU 70 N -2.55 1.07 0.07 0.54 2.12 0.29 -4.19 118.70 116.04 2jqy s GLU 70 Ca 0.00 -1.29 0.01 0.00 0.36 0.00 0.00 54.97 54.05 2jqy s GLU 70 Cb 0.00 0.32 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 2jqy s GLU 70 CO 0.00 -0.36 -0.06 -0.51 -0.54 0.00 0.00 175.26 173.79 2jqy s LEU 71 N -3.00 2.43 0.02 2.70 1.02 -0.67 -1.01 118.68 120.16 2jqy s LEU 71 Ca 0.20 -0.86 -0.09 0.00 0.02 0.00 0.00 54.13 53.40 2jqy s LEU 71 Cb 0.05 -0.02 0.00 0.00 0.02 0.00 0.00 46.19 46.24 2jqy s LEU 71 CO 0.01 -0.42 0.18 -0.70 0.02 0.00 0.00 176.35 175.44 2jqy s GLU 72 N -3.16 0.63 -0.04 1.70 2.12 0.29 -1.27 118.70 118.97 2jqy s GLU 72 Ca 0.04 -0.53 -0.05 0.00 0.36 0.00 0.00 54.97 54.79 2jqy s GLU 72 Cb 0.01 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.67 2jqy s GLU 72 CO -0.04 -0.17 0.12 0.14 -0.54 0.00 0.00 175.26 174.77 2jqy s VAL 73 N -2.12 0.02 -0.24 3.70 -7.23 -1.01 -0.84 120.40 112.67 2jqy s VAL 73 Ca -0.09 -0.13 0.02 0.00 -1.81 0.00 0.00 61.98 59.97 2jqy s VAL 73 Cb -0.03 -0.23 0.06 0.00 0.56 0.00 0.00 36.38 36.74 2jqy s VAL 73 CO -0.02 -0.07 -0.08 -2.28 -0.31 0.00 0.00 175.10 172.34 2jqy s HIS 74 N -0.20 2.76 -0.95 2.82 2.46 -0.64 0.97 115.29 122.51 2jqy s HIS 74 Ca -0.03 -1.99 -0.14 0.00 0.47 0.00 0.00 55.06 53.37 2jqy s HIS 74 Cb -0.02 -1.73 0.21 0.00 -0.13 0.00 0.00 32.58 30.91 2jqy s HIS 74 CO 0.00 -0.82 1.00 -0.47 -2.47 0.00 0.00 174.74 171.98 2jqy s TYR 75 N 1.27 3.69 -0.18 3.88 5.04 -0.70 -2.16 117.35 128.20 2jqy s TYR 75 Ca -0.07 -2.02 -0.16 0.00 -2.44 0.00 0.00 57.07 52.39 2jqy s TYR 75 Cb -0.19 -3.99 -0.04 0.00 0.35 0.00 0.00 41.96 38.09 2jqy s TYR 75 CO -0.06 -1.14 0.39 -0.65 -1.34 0.00 0.00 175.55 172.75 2jqy s GLN 76 N 0.61 4.22 0.00 4.97 -0.21 -1.15 -0.65 119.66 127.45 2jqy s GLN 76 Ca 0.27 0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.87 2jqy s GLN 76 Cb -0.08 -3.49 0.00 0.00 1.00 0.00 0.00 33.01 30.44 2jqy s GLN 76 CO -0.08 0.06 0.00 1.19 -2.12 0.00 0.00 175.29 174.34 2jqy n PHE 77 N 4.13 0.00 -3.82 0.91 3.01 -1.09 -4.61 117.46 115.99 2jqy n PHE 77 Ca -0.09 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.25 2jqy n PHE 77 Cb 0.51 -0.25 -0.11 0.00 -0.01 0.00 0.00 39.48 39.62 2jqy n PHE 77 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2jqy s LEU 78 N -3.20 1.31 -0.63 4.37 1.02 -1.25 -5.03 118.68 115.26 2jqy s LEU 78 Ca 0.00 0.19 -0.11 0.00 0.02 0.00 0.00 54.13 54.23 2jqy s LEU 78 Cb 0.00 0.73 0.16 0.00 0.02 0.00 0.00 46.19 47.10 2jqy s LEU 78 CO 0.00 -0.19 0.53 -1.61 0.02 0.00 0.00 176.35 175.10 2jqy s GLU 79 N -0.47 2.97 0.28 1.70 2.02 -1.26 -3.08 118.70 120.86 2jqy s GLU 79 Ca -0.06 -2.14 -0.21 0.00 0.02 0.00 0.00 54.97 52.59 2jqy s GLU 79 Cb -0.04 -4.13 0.04 0.00 0.10 0.00 0.00 34.13 30.10 2jqy s GLU 79 CO 0.01 -1.25 0.79 1.21 0.02 0.00 0.00 175.26 176.04 2jqy s ASN 80 N 2.30 -0.18 0.00 -0.19 2.47 -0.99 -4.88 114.94 113.47 2jqy s ASN 80 Ca 0.11 -0.69 0.00 0.00 0.42 0.00 0.00 52.86 52.70 2jqy s ASN 80 Cb -0.20 0.71 0.00 0.00 -1.45 0.00 0.00 41.25 40.30 2jqy s ASN 80 CO -0.03 -1.33 0.00 -0.67 -3.72 0.00 0.00 177.10 171.35 2jqy n ASP 81 N -0.69 0.00 -0.01 -4.21 -0.08 -1.26 -3.31 116.55 106.99 2jqy n ASP 81 Ca -0.05 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.22 2jqy n ASP 81 Cb 0.59 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.05 2jqy n ASP 81 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2jqy n ASP 82 N 3.48 2.37 0.00 1.67 8.00 -1.26 -4.91 116.55 125.90 2jqy n ASP 82 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2jqy n ASP 82 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 2jqy n ASP 82 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2jqy n PHE 83 N -2.74 -0.08 -3.84 1.24 7.35 -1.18 -1.70 117.46 116.51 2jqy n PHE 83 Ca -0.02 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.58 2jqy n PHE 83 Cb 0.52 0.02 -0.07 0.00 0.35 0.00 0.00 39.48 40.29 2jqy n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2jqy s SER 84 N 0.59 0.09 -0.26 -2.13 1.04 -1.16 -2.34 113.70 109.54 2jqy s SER 84 Ca 0.00 -0.59 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 2jqy s SER 84 Cb 0.00 0.34 0.15 0.00 0.10 0.00 0.00 66.02 66.60 2jqy s SER 84 CO 0.00 -0.71 0.40 0.12 0.98 0.00 0.00 173.24 174.03 2jqy s PHE 85 N -3.66 -0.93 0.00 5.02 5.36 -1.18 -2.53 117.98 120.06 2jqy s PHE 85 Ca 0.03 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 56.72 2jqy s PHE 85 Cb 0.04 -0.00 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 2jqy s PHE 85 CO -0.10 -0.82 0.00 0.41 -1.46 0.00 0.00 175.22 173.25 2jqy n GLY 86 N 5.36 4.13 2.82 13.12 0.00 -1.02 -2.67 105.19 126.93 2jqy n GLY 86 Ca -0.02 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 2jqy n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jqy s LEU 87 N 0.00 -0.07 -0.17 0.99 1.02 0.18 0.12 118.68 120.74 2jqy s LEU 87 Ca 0.00 0.20 -0.29 0.00 0.02 0.00 0.00 54.13 54.05 2jqy s LEU 87 Cb 0.00 0.29 -0.00 0.00 0.02 0.00 0.00 46.19 46.49 2jqy s LEU 87 CO 0.00 -0.26 1.04 0.28 0.02 0.00 0.00 176.35 177.43 2jqy s THR 88 N 2.30 4.68 0.47 5.49 -1.32 -0.00 -1.72 115.64 125.54 2jqy s THR 88 Ca 0.04 1.99 0.07 0.00 -1.21 0.00 0.00 61.69 62.58 2jqy s THR 88 Cb -0.13 -4.28 0.00 0.00 -1.51 0.00 0.00 72.50 66.58 2jqy s THR 88 CO -0.07 -0.10 0.39 -0.83 -2.21 0.00 0.00 174.62 171.80 2jqy s GLY 89 N 1.21 2.21 -0.26 6.08 0.00 0.27 -2.34 107.32 114.49 2jqy s GLY 89 Ca 0.47 -1.74 -0.34 0.00 0.00 0.00 0.00 44.72 43.11 2jqy s GLY 89 CO 0.12 -1.80 1.32 -0.32 0.00 0.00 0.00 173.10 172.42 2jqy s GLY 90 N -4.18 -0.12 -0.18 0.20 0.00 0.28 -2.40 107.32 100.92 2jqy s GLY 90 Ca 0.44 2.18 -0.04 0.00 0.00 0.00 0.00 44.72 47.29 2jqy s GLY 90 CO 0.26 0.80 0.16 -1.36 0.00 0.00 0.00 173.10 172.95 2jqy s PHE 91 N -1.72 -0.05 -0.13 1.90 0.40 -0.40 -0.44 117.98 117.54 2jqy s PHE 91 Ca 0.10 -0.02 -0.02 0.00 -0.60 0.00 0.00 56.93 56.38 2jqy s PHE 91 Cb -0.01 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 42.98 2jqy s PHE 91 CO -0.05 -0.55 -0.04 -0.98 0.70 0.00 0.00 175.22 174.30 2jqy s ARG 92 N 2.24 3.36 -0.09 0.44 1.70 -0.66 -1.67 118.95 124.26 2jqy s ARG 92 Ca 0.04 -0.51 -0.09 0.00 -0.47 0.00 0.00 55.73 54.70 2jqy s ARG 92 Cb -0.16 -2.82 0.02 0.00 -0.57 0.00 0.00 34.95 31.43 2jqy s ARG 92 CO -0.10 0.40 0.26 0.54 -1.08 0.00 0.00 175.30 175.32 2jqy s ASN 93 N -0.08 -0.26 0.07 -2.89 2.20 -1.26 -1.15 114.94 111.56 2jqy s ASN 93 Ca 0.02 0.48 -0.08 0.00 -0.94 0.00 0.00 52.86 52.34 2jqy s ASN 93 Cb -0.13 0.51 -0.00 0.00 -2.00 0.00 0.00 41.25 39.63 2jqy s ASN 93 CO 0.03 -0.12 0.17 -0.31 -2.94 0.00 0.00 177.10 173.92 2jqy s TYR 94 N 0.01 0.16 0.77 1.54 1.51 -1.12 -4.33 117.35 115.89 2jqy s TYR 94 Ca -0.01 -0.53 -0.12 0.00 -1.01 0.00 0.00 57.07 55.39 2jqy s TYR 94 Cb -0.02 -0.08 0.18 0.00 -0.11 0.00 0.00 41.96 41.92 2jqy s TYR 94 CO 0.01 -0.49 1.05 0.41 -1.11 0.00 0.00 175.55 175.42 2jqy n GLY 95 N 0.21 -1.24 2.59 0.71 0.00 -1.25 -2.13 105.19 104.09 2jqy n GLY 95 Ca -0.16 -1.73 -0.23 0.00 0.00 0.00 0.00 46.02 43.89 2jqy n GLY 95 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jqy s TYR 96 N -3.27 0.26 0.88 1.61 2.02 0.29 -4.67 117.35 114.48 2jqy s TYR 96 Ca 0.60 -1.29 -0.11 0.00 -0.37 0.00 0.00 57.07 55.91 2jqy s TYR 96 Cb -0.02 -0.68 0.13 0.00 -0.40 0.00 0.00 41.96 40.99 2jqy s TYR 96 CO 0.42 -0.90 1.17 -3.38 -1.57 0.00 0.00 175.55 171.29 2jqy s HIS 97 N 1.19 1.66 0.00 2.71 -3.43 -1.26 -2.04 115.29 114.12 2jqy s HIS 97 Ca 0.18 1.76 0.00 0.00 -0.80 0.00 0.00 55.06 56.20 2jqy s HIS 97 Cb -0.19 -3.40 0.00 0.00 -1.43 0.00 0.00 32.58 27.56 2jqy s HIS 97 CO -0.01 -2.85 0.00 0.66 -2.00 0.00 0.00 174.74 170.54 2jqy n TYR 98 N -3.94 -1.34 0.00 0.38 4.01 -1.26 -4.92 117.16 110.10 2jqy n TYR 98 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2jqy n TYR 98 Cb 0.52 0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 2jqy n TYR 98 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2jqy n VAL 99 N -2.33 0.00 -2.47 -0.72 0.24 -1.26 -4.88 118.33 106.91 2jqy n VAL 99 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 2jqy n VAL 99 Cb 0.00 -0.37 -0.01 0.00 -1.47 0.00 0.00 33.84 31.99 2jqy n VAL 99 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jqy n ASP 100 N -2.31 -4.76 0.25 -1.34 9.92 -1.22 -3.52 116.55 113.57 2jqy n ASP 100 Ca 0.00 0.08 -0.11 0.00 -0.53 0.00 0.00 54.79 54.24 2jqy n ASP 100 Cb 0.00 -3.99 -0.05 0.00 -0.64 0.00 0.00 41.12 36.44 2jqy n ASP 100 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2jqy h GLU 101 N -0.07 -0.66 -0.10 -1.24 5.08 -1.93 -3.35 114.58 112.32 2jqy h GLU 101 Ca -0.38 0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 57.83 2jqy h GLU 101 Cb 1.28 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 2jqy h GLU 101 CO 0.45 -0.44 -0.75 -1.00 -1.00 0.00 0.00 179.01 176.27 2jqy h PRO 102 N -1.11 0.52 0.00 2.33 0.13 -2.03 -3.48 132.00 128.37 2jqy h PRO 102 Ca -0.07 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2jqy h PRO 102 Cb 0.53 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2jqy h PRO 102 CO 0.12 1.06 0.00 0.41 -0.23 0.00 0.00 178.00 179.35 2jqy n GLY 103 N 0.61 -2.13 0.46 1.56 0.00 -1.26 -5.10 105.19 99.34 2jqy n GLY 103 Ca -0.05 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2jqy n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jqy n LYS 104 N -0.83 0.00 -3.57 1.61 4.01 -1.26 -4.68 118.16 113.44 2jqy n LYS 104 Ca 0.00 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.61 2jqy n LYS 104 Cb 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 35.03 34.58 2jqy n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2jqy n ASP 105 N -1.41 -1.79 -5.00 4.39 2.03 -1.26 -3.45 116.55 110.05 2jqy n ASP 105 Ca 0.00 -0.73 -0.22 0.00 0.52 0.00 0.00 54.79 54.36 2jqy n ASP 105 Cb 0.00 -4.56 0.05 0.00 -0.72 0.00 0.00 41.12 35.89 2jqy n ASP 105 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2jqy s THR 106 N -3.52 1.87 -0.05 5.18 -4.23 -1.26 -4.64 115.64 108.98 2jqy s THR 106 Ca 0.02 -1.14 0.05 0.00 -1.18 0.00 0.00 61.69 59.44 2jqy s THR 106 Cb -0.00 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 2jqy s THR 106 CO 0.77 0.00 -0.19 0.00 -0.54 0.00 0.00 174.62 174.66 2jqy s ALA 107 N -2.74 2.43 -0.25 3.99 0.00 -0.86 -4.74 121.76 119.59 2jqy s ALA 107 Ca 0.54 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 2jqy s ALA 107 Cb -0.04 -0.84 -0.00 0.00 0.00 0.00 0.00 23.12 22.24 2jqy s ALA 107 CO 0.34 0.48 0.01 -0.80 0.00 0.00 0.00 175.76 175.80 2jqy s ASN 108 N -0.44 4.70 -0.15 0.00 -0.87 -1.26 0.11 114.94 117.03 2jqy s ASN 108 Ca 0.05 -0.54 -0.03 0.00 -1.57 0.00 0.00 52.86 50.77 2jqy s ASN 108 Cb -0.12 -1.80 -0.03 0.00 -0.02 0.00 0.00 41.25 39.28 2jqy s ASN 108 CO 0.02 -0.09 -0.04 -0.04 -2.57 0.00 0.00 177.10 174.37 2jqy s MET 109 N 1.48 3.58 -0.06 -0.60 -1.94 -0.91 -4.65 119.30 116.20 2jqy s MET 109 Ca 0.04 -0.52 0.03 0.00 -1.71 0.00 0.00 55.69 53.53 2jqy s MET 109 Cb -0.16 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.78 2jqy s MET 109 CO -0.01 0.29 -0.15 -1.14 -0.01 0.00 0.00 175.02 174.00 2jqy s GLN 110 N 0.23 2.66 -0.02 2.03 0.74 0.68 -2.80 119.66 123.17 2jqy s GLN 110 Ca -0.03 -0.72 0.02 0.00 0.05 0.00 0.00 55.36 54.68 2jqy s GLN 110 Cb -0.14 -2.40 0.01 0.00 1.10 0.00 0.00 33.01 31.58 2jqy s GLN 110 CO 0.03 0.53 -0.05 1.03 -0.55 0.00 0.00 175.29 176.27 2jqy s ARG 111 N -0.48 0.59 -0.11 1.67 3.00 -0.30 0.58 118.95 123.90 2jqy s ARG 111 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 55.73 55.59 2jqy s ARG 111 Cb -0.12 -0.60 -0.04 0.00 0.00 0.00 0.00 34.95 34.20 2jqy s ARG 111 CO 0.02 0.04 0.05 -1.58 0.00 0.00 0.00 175.30 173.83 2jqy s TRP 112 N 0.29 3.29 -0.28 -0.53 0.52 -0.30 -1.65 118.94 120.26 2jqy s TRP 112 Ca -0.03 0.26 -0.01 0.00 0.02 0.00 0.00 56.10 56.34 2jqy s TRP 112 Cb -0.07 -1.87 0.09 0.00 -1.15 0.00 0.00 33.47 30.47 2jqy s TRP 112 CO -0.00 0.49 0.08 -1.59 0.02 0.00 0.00 176.95 175.95 2jqy s LYS 113 N -0.74 0.76 0.02 4.98 -2.85 0.42 -1.46 119.74 120.86 2jqy s LYS 113 Ca 0.12 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 2jqy s LYS 113 Cb -0.12 -2.05 -0.02 0.00 -2.06 0.00 0.00 37.83 33.59 2jqy s LYS 113 CO 0.02 -0.90 -0.03 0.96 0.10 0.00 0.00 175.35 175.50 2jqy s ILE 114 N 1.65 0.15 0.00 3.79 -5.25 -1.13 0.10 121.20 120.50 2jqy s ILE 114 Ca 0.07 -0.88 0.00 0.00 -0.99 0.00 0.00 60.65 58.85 2jqy s ILE 114 Cb -0.17 -0.28 0.00 0.00 2.95 0.00 0.00 42.46 44.96 2jqy s ILE 114 CO -0.21 -0.46 0.00 0.00 -1.79 0.00 0.00 174.94 172.48 2jqy n ALA 115 N 1.67 0.00 -1.83 2.27 0.00 -0.99 -1.09 120.51 120.53 2jqy n ALA 115 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 2jqy n ALA 115 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 2jqy n ALA 115 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2jqy s PRO 116 N -2.00 4.26 0.01 0.00 0.02 -1.26 -0.82 135.00 135.22 2jqy s PRO 116 Ca 0.00 2.33 0.07 0.00 0.02 0.00 0.00 61.00 63.42 2jqy s PRO 116 Cb 0.00 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.42 2jqy s PRO 116 CO 0.00 -0.38 -0.23 0.16 -0.33 0.00 0.00 177.00 176.22 2jqy s ASP 117 N 0.08 2.67 -0.13 2.53 1.47 0.32 -4.14 116.67 119.47 2jqy s ASP 117 Ca 0.56 -0.47 0.01 0.00 1.18 0.00 0.00 52.55 53.83 2jqy s ASP 117 Cb -0.42 -0.26 0.02 0.00 -0.34 0.00 0.00 42.92 41.91 2jqy s ASP 117 CO 0.48 0.24 -0.16 -1.66 0.68 0.00 0.00 175.17 174.76 2jqy s TRP 118 N -0.66 2.15 -0.31 2.11 -2.14 -1.01 -2.43 118.94 116.65 2jqy s TRP 118 Ca 0.09 -1.11 -0.00 0.00 2.66 0.00 0.00 56.10 57.73 2jqy s TRP 118 Cb -0.09 -1.55 0.07 0.00 -3.10 0.00 0.00 33.47 28.80 2jqy s TRP 118 CO 0.00 -0.58 0.01 -0.51 -2.66 0.00 0.00 176.95 173.21 2jqy s ASP 119 N 1.19 4.82 -0.37 -2.66 1.11 -1.05 -0.02 116.67 119.68 2jqy s ASP 119 Ca -0.01 -1.52 -0.13 0.00 0.18 0.00 0.00 52.55 51.06 2jqy s ASP 119 Cb -0.14 -1.68 0.01 0.00 1.07 0.00 0.00 42.92 42.18 2jqy s ASP 119 CO -0.06 -0.30 0.26 -0.69 1.18 0.00 0.00 175.17 175.56 2jqy s VAL 120 N 1.16 5.13 0.10 -1.27 1.01 0.51 -2.96 120.40 124.08 2jqy s VAL 120 Ca -0.02 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.49 2jqy s VAL 120 Cb -0.20 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2jqy s VAL 120 CO -0.03 -0.17 -0.12 -0.54 0.00 0.00 0.00 175.10 174.23 2jqy s LYS 121 N 1.67 0.92 -1.55 2.72 1.02 -0.69 -0.74 119.74 123.09 2jqy s LYS 121 Ca 0.05 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 54.88 2jqy s LYS 121 Cb -0.18 -0.73 0.00 0.00 -0.52 0.00 0.00 37.83 36.40 2jqy s LYS 121 CO 0.09 0.13 0.00 -0.11 -0.92 0.00 0.00 175.35 174.55 2jqy n LEU 122 N 0.65 -1.53 0.07 3.17 7.94 -1.26 -4.45 117.00 121.58 2jqy n LEU 122 Ca -0.16 0.15 -0.03 0.00 -1.11 0.00 0.00 56.01 54.85 2jqy n LEU 122 Cb 0.57 -2.57 -0.08 0.00 0.53 0.00 0.00 43.42 41.87 2jqy n LEU 122 CO 0.26 -0.33 0.07 0.71 -1.11 0.00 0.00 177.39 176.98 2jqy h THR 123 N 0.00 1.15 0.00 1.96 1.35 -1.86 -3.48 112.91 112.04 2jqy h THR 123 Ca -0.40 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 2jqy h THR 123 Cb 1.26 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 2jqy h THR 123 CO 0.49 0.66 0.00 0.47 -0.25 0.00 0.00 175.52 176.89 2jqy n ASP 124 N -3.20 0.00 -0.68 5.36 8.00 -1.26 -5.01 116.55 119.76 2jqy n ASP 124 Ca -0.03 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.43 2jqy n ASP 124 Cb 0.88 0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 42.14 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 -1.71 -0.46 -3.91 -2.24 -0.08 -1.26 -5.14 116.55 101.74 2jqy n ASP 125 Ca 0.00 -1.21 -0.10 0.00 -1.51 0.00 0.00 54.79 51.96 2jqy n ASP 125 Cb 0.00 0.14 -0.11 0.00 2.34 0.00 0.00 41.12 43.49 2jqy n ASP 125 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2jqy s LEU 126 N 0.00 1.87 -0.35 -2.67 1.02 -1.26 -4.59 118.68 112.70 2jqy s LEU 126 Ca 0.00 -0.26 -0.10 0.00 0.02 0.00 0.00 54.13 53.79 2jqy s LEU 126 Cb 0.00 0.36 0.02 0.00 0.02 0.00 0.00 46.19 46.59 2jqy s LEU 126 CO 0.00 -0.28 0.17 -0.13 0.02 0.00 0.00 176.35 176.13 2jqy s ARG 127 N -1.16 2.96 -0.31 1.70 0.52 -0.79 -4.52 118.95 117.36 2jqy s ARG 127 Ca -0.13 -0.97 -0.13 0.00 -0.52 0.00 0.00 55.73 53.98 2jqy s ARG 127 Cb -0.07 -3.62 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 2jqy s ARG 127 CO 0.00 -0.60 0.27 0.12 0.02 0.00 0.00 175.30 175.12 2jqy s PHE 128 N 1.55 3.22 -0.23 -0.53 2.19 0.08 -1.49 117.98 122.78 2jqy s PHE 128 Ca 0.02 0.01 -0.03 0.00 0.33 0.00 0.00 56.93 57.26 2jqy s PHE 128 Cb -0.18 -2.50 -0.00 0.00 -1.31 0.00 0.00 43.02 39.02 2jqy s PHE 128 CO 0.06 -0.30 -0.05 1.21 1.83 0.00 0.00 175.22 177.97 2jqy s ASN 129 N 1.73 4.28 -0.31 6.13 2.47 0.51 -0.36 114.94 129.38 2jqy s ASN 129 Ca 0.09 -0.50 -0.02 0.00 0.42 0.00 0.00 52.86 52.84 2jqy s ASN 129 Cb -0.17 -1.72 0.05 0.00 -1.45 0.00 0.00 41.25 37.97 2jqy s ASN 129 CO 0.11 -0.05 0.02 -0.83 -3.72 0.00 0.00 177.10 172.63 2jqy s GLY 130 N 1.45 1.77 -0.23 1.21 0.00 0.96 -1.02 107.32 111.47 2jqy s GLY 130 Ca 0.05 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 42.99 2jqy s GLY 130 CO -0.04 0.72 -0.13 0.86 0.00 0.00 0.00 173.10 174.51 2jqy s TRP 131 N 1.27 3.04 -0.07 1.90 -0.00 -0.74 -2.40 118.94 121.94 2jqy s TRP 131 Ca -0.04 -1.90 0.03 0.00 -0.00 0.00 0.00 56.10 54.19 2jqy s TRP 131 Cb -0.20 -1.96 0.01 0.00 -0.00 0.00 0.00 33.47 31.32 2jqy s TRP 131 CO -0.01 -0.82 -0.15 -1.17 -0.00 0.00 0.00 176.95 174.81 2jqy s LEU 132 N 1.22 1.77 -0.06 5.86 2.96 -1.26 0.57 118.68 129.74 2jqy s LEU 132 Ca -0.02 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2jqy s LEU 132 Cb -0.17 -0.94 0.03 0.00 0.50 0.00 0.00 46.19 45.62 2jqy s LEU 132 CO -0.08 0.07 0.01 -0.44 -1.32 0.00 0.00 176.35 174.60 2jqy s SER 133 N 0.49 1.41 -0.25 3.68 0.01 -0.60 -3.46 113.70 114.98 2jqy s SER 133 Ca -0.13 -0.05 -0.17 0.00 1.31 0.00 0.00 55.95 56.90 2jqy s SER 133 Cb -0.15 -0.37 -0.03 0.00 0.21 0.00 0.00 66.02 65.68 2jqy s SER 133 CO 0.04 -0.19 0.49 -0.04 0.41 0.00 0.00 173.24 173.95 2jqy s MET 134 N 1.92 4.08 0.03 12.44 -1.94 -0.25 -0.43 119.30 135.15 2jqy s MET 134 Ca 0.04 0.29 -0.22 0.00 -1.71 0.00 0.00 55.69 54.08 2jqy s MET 134 Cb -0.12 -3.63 -0.06 0.00 2.01 0.00 0.00 34.83 33.03 2jqy s MET 134 CO -0.04 -0.30 0.66 0.71 -0.01 0.00 0.00 175.02 176.04 2jqy s TYR 135 N 2.13 3.73 -0.03 -0.03 2.02 -0.47 -2.83 117.35 121.86 2jqy s TYR 135 Ca 0.20 1.32 -0.01 0.00 -0.37 0.00 0.00 57.07 58.22 2jqy s TYR 135 Cb -0.16 -2.67 0.03 0.00 -0.40 0.00 0.00 41.96 38.76 2jqy s TYR 135 CO 0.09 0.36 0.06 0.21 -1.57 0.00 0.00 175.55 174.70 2jqy s LYS 136 N -0.31 -0.01 0.50 -0.62 2.47 -0.54 -1.67 119.74 119.57 2jqy s LYS 136 Ca 0.33 0.23 -0.20 0.00 -1.56 0.00 0.00 55.97 54.76 2jqy s LYS 136 Cb -0.19 -0.22 -0.07 0.00 -1.46 0.00 0.00 37.83 35.88 2jqy s LYS 136 CO 0.20 -0.16 1.10 -0.06 0.16 0.00 0.00 175.35 176.58 2jqy s PHE 137 N 1.05 2.84 -0.16 4.03 0.40 -1.26 -1.15 117.98 123.73 2jqy s PHE 137 Ca -0.09 1.56 -0.28 0.00 -0.60 0.00 0.00 56.93 57.52 2jqy s PHE 137 Cb -0.12 -3.22 0.08 0.00 0.51 0.00 0.00 43.02 40.28 2jqy s PHE 137 CO -0.04 -1.26 0.77 0.00 0.70 0.00 0.00 175.22 175.40 2jqy s ALA 138 N -1.80 -1.81 0.35 5.36 0.00 0.20 -4.88 121.76 119.17 2jqy s ALA 138 Ca 0.69 1.65 -0.01 0.00 0.00 0.00 0.00 51.96 54.29 2jqy s ALA 138 Cb -0.22 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.27 2jqy s ALA 138 CO 0.26 -0.34 0.46 -0.80 0.00 0.00 0.00 175.76 175.34 2jqy s ASN 139 N -0.51 1.10 0.28 0.00 -0.87 -1.26 -0.23 114.94 113.45 2jqy s ASN 139 Ca -0.05 -1.56 0.01 0.00 -1.57 0.00 0.00 52.86 49.70 2jqy s ASN 139 Cb -0.02 0.67 0.41 0.00 -0.02 0.00 0.00 41.25 42.28 2jqy s ASN 139 CO 0.04 -1.30 1.76 -0.78 -2.57 0.00 0.00 177.10 174.25 2jqy h ASP 140 N 2.09 0.59 -0.93 -1.22 1.82 -2.00 -2.89 116.42 113.88 2jqy h ASP 140 Ca -0.28 -0.16 -0.64 0.00 -0.39 0.00 0.00 57.03 55.56 2jqy h ASP 140 Cb 1.24 -0.16 -0.33 0.00 0.68 0.00 0.00 39.33 40.76 2jqy h ASP 140 CO 0.38 0.74 0.41 0.18 -1.61 0.00 0.00 179.24 179.34 2jqy n LEU 141 N -4.18 6.92 -4.55 2.28 4.32 -1.26 -4.98 117.00 115.55 2jqy n LEU 141 Ca 0.01 -4.40 -0.35 0.00 -0.02 0.00 0.00 56.01 51.24 2jqy n LEU 141 Cb 0.34 -0.80 -0.04 0.00 -1.62 0.00 0.00 43.42 41.30 2jqy n LEU 141 CO 0.41 1.64 2.00 -3.20 -1.22 0.00 0.00 177.39 177.02 2jqy n ASN 142 N -0.87 2.14 0.05 -1.43 2.85 -1.09 -4.83 115.26 112.07 2jqy n ASN 142 Ca 0.58 -0.52 -0.02 0.00 -0.11 0.00 0.00 54.58 54.50 2jqy n ASN 142 Cb 0.76 -1.54 -0.01 0.00 1.24 0.00 0.00 39.78 40.22 2jqy n ASN 142 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2jqy h THR 143 N 7.73 0.00 0.00 -0.44 1.35 -1.93 -3.43 112.91 116.18 2jqy h THR 143 Ca -0.21 -0.16 -0.18 0.00 -0.55 0.00 0.00 66.41 65.30 2jqy h THR 143 Cb 1.26 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.64 2jqy h THR 143 CO 1.17 0.00 -1.68 1.07 -0.25 0.00 0.00 175.52 175.83 2jqy n THR 144 N -2.83 0.68 -2.98 6.82 5.66 -1.26 -5.02 114.28 115.35 2jqy n THR 144 Ca -0.02 -0.36 -0.21 0.00 -3.05 0.00 0.00 64.05 60.41 2jqy n THR 144 Cb 0.06 -0.81 0.01 0.00 -1.55 0.00 0.00 70.33 68.04 2jqy n THR 144 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jqy n GLY 145 N 2.59 -0.51 4.00 1.09 0.00 -1.26 -4.97 105.19 106.13 2jqy n GLY 145 Ca -0.18 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 2jqy n GLY 145 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jqy s TYR 146 N -3.02 2.91 0.17 1.61 5.04 -1.26 -4.84 117.35 117.96 2jqy s TYR 146 Ca 0.26 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.58 2jqy s TYR 146 Cb -0.13 -2.29 0.00 0.00 0.35 0.00 0.00 41.96 39.90 2jqy s TYR 146 CO 0.32 -0.32 0.00 0.00 -1.34 0.00 0.00 175.55 174.21 2jqy n ALA 147 N -1.82 -1.89 -2.53 3.97 0.00 -1.26 -4.88 120.51 112.10 2jqy n ALA 147 Ca 0.06 0.23 -0.19 0.00 0.00 0.00 0.00 53.44 53.53 2jqy n ALA 147 Cb 0.59 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -3.55 -5.48 -4.87 0.00 9.92 -1.26 -4.63 116.55 106.68 2jqy n ASP 148 Ca 0.00 -0.09 -0.34 0.00 -0.53 0.00 0.00 54.79 53.84 2jqy n ASP 148 Cb 0.33 -4.47 -0.05 0.00 -0.64 0.00 0.00 41.12 36.29 2jqy n ASP 148 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2jqy s THR 149 N -2.99 5.06 0.22 -3.53 -1.32 -1.26 -4.16 115.64 107.67 2jqy s THR 149 Ca 0.08 0.40 -0.03 0.00 -1.21 0.00 0.00 61.69 60.93 2jqy s THR 149 Cb -0.04 -3.65 -0.03 0.00 -1.51 0.00 0.00 72.50 67.28 2jqy s THR 149 CO 0.10 0.18 0.22 -0.60 -2.21 0.00 0.00 174.62 172.31 2jqy s ARG 150 N -2.20 1.33 -0.06 7.08 3.52 -0.67 -3.71 118.95 124.24 2jqy s ARG 150 Ca 0.37 -1.58 -0.03 0.00 -0.13 0.00 0.00 55.73 54.36 2jqy s ARG 150 Cb -0.13 0.32 0.04 0.00 -1.56 0.00 0.00 34.95 33.62 2jqy s ARG 150 CO 0.20 -0.47 0.11 0.14 -0.81 0.00 0.00 175.30 174.46 2jqy s VAL 151 N -4.05 -0.18 -0.47 7.11 -7.23 -1.21 -1.37 120.40 113.00 2jqy s VAL 151 Ca 0.35 0.39 -0.09 0.00 -1.81 0.00 0.00 61.98 60.83 2jqy s VAL 151 Cb 0.05 -0.22 0.12 0.00 0.56 0.00 0.00 36.38 36.89 2jqy s VAL 151 CO 0.13 0.17 0.34 -1.61 -0.31 0.00 0.00 175.10 173.81 2jqy s GLU 152 N 2.22 2.46 -0.20 4.82 2.02 0.43 -3.59 118.70 126.85 2jqy s GLU 152 Ca 0.04 -1.78 -0.13 0.00 0.02 0.00 0.00 54.97 53.12 2jqy s GLU 152 Cb -0.12 -3.91 -0.05 0.00 0.10 0.00 0.00 34.13 30.15 2jqy s GLU 152 CO -0.04 -1.19 0.25 0.99 0.02 0.00 0.00 175.26 175.29 2jqy s THR 153 N 1.33 5.31 -0.35 3.63 2.01 -1.13 -1.55 115.64 124.89 2jqy s THR 153 Ca 0.06 0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.48 2jqy s THR 153 Cb -0.26 -3.59 0.11 0.00 0.01 0.00 0.00 72.50 68.77 2jqy s THR 153 CO -0.01 0.35 0.12 -1.61 -0.69 0.00 0.00 174.62 172.78 2jqy s GLU 154 N 0.87 1.00 -0.52 4.92 8.01 0.19 -1.88 118.70 131.30 2jqy s GLU 154 Ca 0.13 -1.45 -0.18 0.00 0.01 0.00 0.00 54.97 53.48 2jqy s GLU 154 Cb -0.13 -2.32 0.08 0.00 -4.31 0.00 0.00 34.13 27.44 2jqy s GLU 154 CO 0.04 -1.02 0.57 0.95 0.01 0.00 0.00 175.26 175.81 2jqy s THR 155 N 1.18 4.99 -0.13 3.63 -4.23 -1.15 -1.80 115.64 118.14 2jqy s THR 155 Ca 0.12 -0.83 -0.05 0.00 -1.18 0.00 0.00 61.69 59.75 2jqy s THR 155 Cb -0.19 -4.29 -0.04 0.00 1.34 0.00 0.00 72.50 69.32 2jqy s THR 155 CO -0.16 -0.81 0.04 -0.83 -0.54 0.00 0.00 174.62 172.32 2jqy s GLY 156 N 2.92 1.92 -0.13 3.99 0.00 -0.19 -2.39 107.32 113.45 2jqy s GLY 156 Ca 0.10 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 44.09 2jqy s GLY 156 CO 0.09 -0.29 -0.20 1.08 0.00 0.00 0.00 173.10 173.77 2jqy s LEU 157 N -0.40 2.01 -0.33 0.66 2.01 -1.08 -0.37 118.68 121.18 2jqy s LEU 157 Ca 0.09 -0.55 0.03 0.00 0.01 0.00 0.00 54.13 53.70 2jqy s LEU 157 Cb -0.12 -1.35 0.09 0.00 0.01 0.00 0.00 46.19 44.82 2jqy s LEU 157 CO 0.02 0.07 0.03 -1.10 1.01 0.00 0.00 176.35 176.38 2jqy s GLN 158 N 0.80 1.75 -0.04 1.70 -0.21 -0.55 -2.57 119.66 120.54 2jqy s GLN 158 Ca -0.09 -1.72 0.03 0.00 0.02 0.00 0.00 55.36 53.60 2jqy s GLN 158 Cb -0.16 -3.17 0.00 0.00 1.00 0.00 0.00 33.01 30.69 2jqy s GLN 158 CO -0.00 -0.85 -0.11 1.52 -2.12 0.00 0.00 175.29 173.72 2jqy s TYR 159 N 0.99 1.23 -0.04 0.91 1.13 -1.15 -1.88 117.35 118.54 2jqy s TYR 159 Ca 0.05 -0.35 -0.08 0.00 -1.41 0.00 0.00 57.07 55.28 2jqy s TYR 159 Cb -0.20 -0.87 -0.05 0.00 -1.10 0.00 0.00 41.96 39.75 2jqy s TYR 159 CO -0.07 -0.15 0.25 0.95 -2.51 0.00 0.00 175.55 174.01 2jqy s THR 160 N 0.29 5.33 0.50 -3.49 -4.23 -1.26 -0.73 115.64 112.05 2jqy s THR 160 Ca -0.06 0.29 0.22 0.00 -1.18 0.00 0.00 61.69 60.95 2jqy s THR 160 Cb -0.11 -3.53 0.37 0.00 1.34 0.00 0.00 72.50 70.57 2jqy s THR 160 CO 0.01 0.49 1.99 -0.26 -0.54 0.00 0.00 174.62 176.31 2jqy h PHE 161 N 4.44 0.13 0.00 3.99 0.04 -1.97 -3.40 116.94 120.17 2jqy h PHE 161 Ca -0.52 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.25 2jqy h PHE 161 Cb 1.21 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.32 2jqy h PHE 161 CO 0.71 0.06 0.00 0.09 -0.60 0.00 0.00 178.31 178.57 2jqy n ASN 162 N -4.41 0.00 0.00 2.17 4.13 -1.26 -5.09 115.26 110.79 2jqy n ASN 162 Ca 0.10 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.52 2jqy n ASN 162 Cb 0.54 0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.89 2jqy n ASN 162 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2jqy n GLU 163 N -2.86 0.00 0.00 3.52 0.28 -1.26 -5.06 120.64 115.26 2jqy n GLU 163 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2jqy n GLU 163 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2jqy n GLU 163 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2jqy n THR 164 N 0.00 0.00 -3.62 3.84 5.66 -1.26 -5.10 114.28 113.80 2jqy n THR 164 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 2jqy n THR 164 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 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 4.64 0.02 1.08 -7.23 -1.26 -4.61 120.40 113.04 2jqy s VAL 165 Ca 0.00 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 59.55 2jqy s VAL 165 Cb 0.00 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.42 2jqy s VAL 165 CO 0.00 -0.09 0.06 0.00 -0.31 0.00 0.00 175.10 174.76 2jqy s ALA 166 N 1.59 3.51 -0.09 1.32 0.00 -1.20 -3.39 121.76 123.50 2jqy s ALA 166 Ca 0.03 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 2jqy s ALA 166 Cb -0.18 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 2jqy s ALA 166 CO 0.07 0.70 0.39 -0.51 0.00 0.00 0.00 175.76 176.40 2jqy s LEU 167 N -1.90 4.35 -0.17 0.00 1.02 0.09 -2.58 118.68 119.48 2jqy s LEU 167 Ca 0.24 0.77 -0.06 0.00 0.02 0.00 0.00 54.13 55.10 2jqy s LEU 167 Cb -0.12 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.51 2jqy s LEU 167 CO 0.16 0.17 0.03 -0.60 0.02 0.00 0.00 176.35 176.12 2jqy s ARG 168 N -0.13 3.87 -0.29 1.70 3.52 -0.60 -2.92 118.95 124.10 2jqy s ARG 168 Ca 0.22 -0.39 -0.03 0.00 -0.13 0.00 0.00 55.73 55.39 2jqy s ARG 168 Cb -0.15 -3.12 0.10 0.00 -1.56 0.00 0.00 34.95 30.22 2jqy s ARG 168 CO 0.09 0.28 0.11 0.14 -0.81 0.00 0.00 175.30 175.11 2jqy s VAL 169 N 0.33 0.23 -0.08 7.11 -7.23 -1.06 -0.46 120.40 119.24 2jqy s VAL 169 Ca 0.01 -0.91 -0.06 0.00 -1.81 0.00 0.00 61.98 59.21 2jqy s VAL 169 Cb -0.13 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 2jqy s VAL 169 CO 0.01 -0.67 0.18 0.20 -0.31 0.00 0.00 175.10 174.50 2jqy s ASN 170 N 1.95 6.42 -0.22 4.85 0.02 -1.08 -2.64 114.94 124.24 2jqy s ASN 170 Ca 0.08 0.48 0.02 0.00 -1.02 0.00 0.00 52.86 52.42 2jqy s ASN 170 Cb -0.16 -2.07 0.04 0.00 0.02 0.00 0.00 41.25 39.08 2jqy s ASN 170 CO -0.31 0.36 -0.14 -0.31 0.02 0.00 0.00 177.10 176.72 2jqy s TYR 171 N -1.13 2.86 -0.13 2.20 2.02 -1.00 -2.96 117.35 119.21 2jqy s TYR 171 Ca 0.20 -1.89 -0.18 0.00 -0.37 0.00 0.00 57.07 54.82 2jqy s TYR 171 Cb -0.13 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 2jqy s TYR 171 CO 0.09 -0.82 0.47 0.71 -1.57 0.00 0.00 175.55 174.43 2jqy s TYR 172 N 1.25 3.50 -0.29 2.71 1.51 0.53 -2.91 117.35 123.64 2jqy s TYR 172 Ca -0.02 0.86 -0.01 0.00 -1.01 0.00 0.00 57.07 56.89 2jqy s TYR 172 Cb -0.17 -2.55 0.09 0.00 -0.11 0.00 0.00 41.96 39.23 2jqy s TYR 172 CO -0.08 0.15 0.08 -0.51 -1.11 0.00 0.00 175.55 174.07 2jqy s LEU 173 N 0.70 2.33 -0.32 -1.29 1.43 -0.79 -2.35 118.68 118.40 2jqy s LEU 173 Ca 0.25 -1.55 -0.07 0.00 -1.03 0.00 0.00 54.13 51.73 2jqy s LEU 173 Cb -0.15 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 45.17 2jqy s LEU 173 CO 0.10 -0.39 0.11 -1.61 0.23 0.00 0.00 176.35 174.79 2jqy s GLU 174 N 1.58 2.95 -0.01 1.70 2.02 0.70 -2.85 118.70 124.78 2jqy s GLU 174 Ca 0.07 -0.96 -0.00 0.00 0.02 0.00 0.00 54.97 54.10 2jqy s GLU 174 Cb -0.17 -3.45 0.02 0.00 0.10 0.00 0.00 34.13 30.62 2jqy s GLU 174 CO -0.21 -0.53 0.02 -0.98 0.02 0.00 0.00 175.26 173.58 2jqy s ARG 175 N 1.49 -0.02 0.00 1.61 1.70 -1.24 -0.63 118.95 121.86 2jqy s ARG 175 Ca 0.01 0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.41 2jqy s ARG 175 Cb -0.18 -0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.03 2jqy s ARG 175 CO 0.03 -0.11 0.00 0.41 -1.08 0.00 0.00 175.30 174.55 2jqy n GLY 176 N 3.83 2.56 3.58 3.88 0.00 -1.26 -3.28 105.19 114.49 2jqy n GLY 176 Ca -0.23 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 2jqy n GLY 176 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jqy s PHE 177 N -6.55 3.22 -0.12 1.61 0.08 -1.24 -4.77 117.98 110.20 2jqy s PHE 177 Ca 0.00 0.00 -0.00 0.00 0.12 0.00 0.00 56.93 57.05 2jqy s PHE 177 Cb 0.00 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.22 2jqy s PHE 177 CO 0.00 -0.09 -0.08 1.21 -0.10 0.00 0.00 175.22 176.16 2jqy s ASN 178 N 1.28 2.32 -0.19 1.36 3.84 -1.26 -4.55 114.94 117.74 2jqy s ASN 178 Ca 0.06 -0.37 0.15 0.00 0.21 0.00 0.00 52.86 52.91 2jqy s ASN 178 Cb -0.14 -0.89 -0.24 0.00 -0.55 0.00 0.00 41.25 39.42 2jqy s ASN 178 CO 0.05 -0.12 0.09 0.23 -2.79 0.00 0.00 177.10 174.57 2jqy n MET 179 N 4.91 0.68 -3.19 0.43 2.81 -1.26 -4.13 117.12 117.37 2jqy n MET 179 Ca -0.13 0.04 -0.45 0.00 -1.81 0.00 0.00 57.70 55.35 2jqy n MET 179 Cb 0.50 -1.55 -0.05 0.00 -0.71 0.00 0.00 33.22 31.41 2jqy n MET 179 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2jqy s ASP 180 N -5.71 6.19 0.07 7.83 -4.77 -1.26 -4.75 116.67 114.26 2jqy s ASP 180 Ca -0.13 -1.58 0.00 0.00 -3.30 0.00 0.00 52.55 47.54 2jqy s ASP 180 Cb 0.07 -2.26 0.00 0.00 -1.09 0.00 0.00 42.92 39.63 2jqy s ASP 180 CO 0.80 -1.01 0.00 -0.67 0.70 0.00 0.00 175.17 174.99 2jqy n ASP 181 N 5.89 0.11 -1.33 2.11 2.03 -1.26 -4.98 116.55 119.12 2jqy n ASP 181 Ca -0.11 0.11 0.03 0.00 0.52 0.00 0.00 54.79 55.33 2jqy n ASP 181 Cb 0.41 0.03 0.01 0.00 -0.72 0.00 0.00 41.12 40.86 2jqy n ASP 181 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jqy n SER 182 N -2.80 0.74 -2.20 1.67 7.64 -1.26 -4.98 113.62 112.43 2jqy n SER 182 Ca 0.00 -1.99 -0.18 0.00 1.01 0.00 0.00 58.87 57.71 2jqy n SER 182 Cb 0.00 -0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 62.93 2jqy n SER 182 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jqy n ARG 183 N 0.40 -1.75 -1.39 1.43 5.12 -1.26 -4.67 116.66 114.54 2jqy n ARG 183 Ca 0.03 0.92 -0.00 0.00 -1.93 0.00 0.00 57.85 56.87 2jqy n ARG 183 Cb 1.06 -5.50 0.01 0.00 -1.16 0.00 0.00 32.46 26.87 2jqy n ARG 183 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2jqy n ASN 184 N -1.74 -0.10 -3.58 0.55 2.85 -1.26 -5.16 115.26 106.83 2jqy n ASN 184 Ca -0.21 -0.91 -0.08 0.00 -0.11 0.00 0.00 54.58 53.27 2jqy n ASN 184 Cb 0.65 0.04 -0.04 0.00 1.24 0.00 0.00 39.78 41.67 2jqy n ASN 184 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2jqy s ASN 185 N -0.08 -0.28 -0.38 1.20 3.84 -1.26 -5.09 114.94 112.90 2jqy s ASN 185 Ca 0.01 0.20 0.10 0.00 0.21 0.00 0.00 52.86 53.38 2jqy s ASN 185 Cb 0.03 0.25 0.40 0.00 -0.55 0.00 0.00 41.25 41.37 2jqy s ASN 185 CO -0.01 -0.33 1.43 0.61 -2.79 0.00 0.00 177.10 176.02 2jqy n GLY 186 N 0.37 1.60 2.78 1.21 0.00 -1.26 -4.22 105.19 105.67 2jqy n GLY 186 Ca -0.06 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 0.17 0.50 0.11 1.61 2.12 -1.26 -4.47 118.70 117.49 2jqy s GLU 187 Ca 0.17 -0.51 0.03 0.00 0.36 0.00 0.00 54.97 55.03 2jqy s GLU 187 Cb 0.42 -0.66 -0.04 0.00 0.26 0.00 0.00 34.13 34.11 2jqy s GLU 187 CO -0.10 -1.12 -0.09 0.12 -0.54 0.00 0.00 175.26 173.52 2jqy s PHE 188 N 1.87 1.08 -0.09 5.30 5.36 -1.26 -5.12 117.98 125.12 2jqy s PHE 188 Ca 0.13 -0.74 -0.09 0.00 -0.96 0.00 0.00 56.93 55.27 2jqy s PHE 188 Cb -0.14 -0.58 0.02 0.00 -0.34 0.00 0.00 43.02 41.98 2jqy s PHE 188 CO -0.17 -0.01 0.25 0.45 -1.46 0.00 0.00 175.22 174.29 2jqy s SER 189 N -2.79 -0.26 -0.22 6.13 0.15 -1.26 -4.47 113.70 110.98 2jqy s SER 189 Ca 0.10 0.49 -0.02 0.00 0.70 0.00 0.00 55.95 57.22 2jqy s SER 189 Cb 0.00 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.84 2jqy s SER 189 CO -0.01 -0.10 -0.09 -0.89 1.20 0.00 0.00 173.24 173.35 2jqy s THR 190 N 0.07 2.82 -0.04 6.45 2.01 0.20 -5.03 115.64 122.12 2jqy s THR 190 Ca -0.01 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.21 2jqy s THR 190 Cb -0.02 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 2jqy s THR 190 CO 0.00 0.35 -0.23 -1.58 -0.69 0.00 0.00 174.62 172.47 2jqy s GLN 191 N 1.36 2.15 -0.01 4.92 -0.44 -1.26 -0.21 119.66 126.16 2jqy s GLN 191 Ca 0.03 -0.84 0.01 0.00 -2.50 0.00 0.00 55.36 52.06 2jqy s GLN 191 Cb -0.15 -1.94 0.00 0.00 -1.64 0.00 0.00 33.01 29.28 2jqy s GLN 191 CO -0.06 0.43 -0.03 -2.00 0.50 0.00 0.00 175.29 174.13 2jqy s GLU 192 N -0.34 0.29 -0.07 1.67 2.12 -0.99 -5.03 118.70 116.35 2jqy s GLU 192 Ca 0.03 -0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.29 2jqy s GLU 192 Cb -0.11 -0.31 0.01 0.00 0.26 0.00 0.00 34.13 33.98 2jqy s GLU 192 CO 0.01 0.04 -0.15 0.42 -0.54 0.00 0.00 175.26 175.04 2jqy s ILE 193 N 0.12 1.35 -0.03 -3.70 1.01 -1.26 -0.35 121.20 118.34 2jqy s ILE 193 Ca -0.01 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.09 2jqy s ILE 193 Cb -0.04 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 2jqy s ILE 193 CO -0.00 0.40 -0.16 -0.13 0.00 0.00 0.00 174.94 175.05 2jqy s ARG 194 N 0.61 1.51 -0.06 2.79 0.52 -1.15 -4.74 118.95 118.43 2jqy s ARG 194 Ca -0.15 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 54.54 2jqy s ARG 194 Cb -0.16 -1.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.91 2jqy s ARG 194 CO 0.05 0.28 -0.22 0.00 0.02 0.00 0.00 175.30 175.43 2jqy s ALA 195 N -0.14 2.30 0.25 2.13 0.00 -0.32 -2.63 121.76 123.37 2jqy s ALA 195 Ca 0.01 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2jqy s ALA 195 Cb -0.09 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 2jqy s ALA 195 CO 0.01 0.42 0.11 0.71 0.00 0.00 0.00 175.76 177.01 2jqy s TYR 196 N -0.21 1.47 -0.43 0.00 2.02 0.39 0.18 117.35 120.77 2jqy s TYR 196 Ca -0.02 -1.23 0.08 0.00 -0.37 0.00 0.00 57.07 55.53 2jqy s TYR 196 Cb -0.13 -0.83 0.27 0.00 -0.40 0.00 0.00 41.96 40.86 2jqy s TYR 196 CO 0.03 -0.41 0.76 1.28 -1.57 0.00 0.00 175.55 175.64 2jqy n LEU 197 N -0.44 -1.09 -4.48 -1.29 4.77 -1.23 -1.56 117.00 111.66 2jqy n LEU 197 Ca 0.00 -4.15 -0.58 0.00 -0.03 0.00 0.00 56.01 51.25 2jqy n LEU 197 Cb 0.66 0.76 -0.09 0.00 -2.33 0.00 0.00 43.42 42.42 2jqy n LEU 197 CO 0.36 2.08 1.57 -2.65 -1.33 0.00 0.00 177.39 177.42 2jqy n PRO 198 N 1.18 0.53 -4.73 3.23 -0.02 -1.07 -4.30 135.00 129.83 2jqy n PRO 198 Ca 0.16 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 2jqy n PRO 198 Cb 0.61 -1.88 -0.14 0.00 -0.02 0.00 0.00 33.50 32.06 2jqy n PRO 198 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2jqy s LEU 199 N 5.31 2.71 0.08 2.45 1.43 0.24 -3.25 118.68 127.65 2jqy s LEU 199 Ca 1.10 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 2jqy s LEU 199 Cb -1.24 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 2jqy s LEU 199 CO 0.64 0.15 -0.06 0.42 0.23 0.00 0.00 176.35 177.74 2jqy s THR 200 N 0.42 0.54 -0.35 5.49 -4.23 -1.26 0.10 115.64 116.35 2jqy s THR 200 Ca -0.10 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 2jqy s THR 200 Cb -0.16 -1.43 0.14 0.00 1.34 0.00 0.00 72.50 72.39 2jqy s THR 200 CO 0.05 -0.82 0.27 -0.76 -0.54 0.00 0.00 174.62 172.82 2jqy s LEU 201 N -2.74 0.56 0.00 4.79 1.43 -0.12 -4.83 118.68 117.76 2jqy s LEU 201 Ca 0.06 -1.91 0.00 0.00 -1.03 0.00 0.00 54.13 51.25 2jqy s LEU 201 Cb 0.03 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.22 2jqy s LEU 201 CO -0.05 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.84 2jqy n GLY 202 N 4.18 1.49 0.00 -3.19 0.00 -1.26 -3.02 105.19 103.38 2jqy n GLY 202 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 3.14 1.80 -4.75 1.61 2.85 -1.26 -5.07 115.26 113.59 2jqy n ASN 203 Ca 0.00 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 2jqy n ASN 203 Cb 0.00 0.07 -0.02 0.00 1.24 0.00 0.00 39.78 41.07 2jqy n ASN 203 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2jqy s HIS 204 N -1.42 2.97 -0.05 1.20 3.76 -1.17 -4.80 115.29 115.78 2jqy s HIS 204 Ca 0.00 1.06 0.03 0.00 -0.15 0.00 0.00 55.06 56.00 2jqy s HIS 204 Cb 0.00 -3.84 0.01 0.00 1.11 0.00 0.00 32.58 29.86 2jqy s HIS 204 CO 0.00 -2.67 -0.14 -1.12 -0.85 0.00 0.00 174.74 169.96 2jqy s SER 205 N 0.23 1.86 -0.05 1.40 0.01 -0.45 -0.95 113.70 115.74 2jqy s SER 205 Ca 0.58 -0.31 -0.02 0.00 1.31 0.00 0.00 55.95 57.51 2jqy s SER 205 Cb -0.42 -0.70 0.03 0.00 0.21 0.00 0.00 66.02 65.14 2jqy s SER 205 CO 0.46 0.08 0.05 -0.69 0.41 0.00 0.00 173.24 173.55 2jqy s VAL 206 N 0.38 -0.01 -0.42 3.43 1.01 0.28 0.52 120.40 125.59 2jqy s VAL 206 Ca -0.10 0.34 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 2jqy s VAL 206 Cb -0.13 -0.25 0.08 0.00 0.00 0.00 0.00 36.38 36.07 2jqy s VAL 206 CO 0.03 0.17 0.26 -0.89 0.00 0.00 0.00 175.10 174.67 2jqy s THR 207 N 2.13 4.24 0.55 3.92 2.01 0.16 0.83 115.64 129.48 2jqy s THR 207 Ca 0.05 -1.39 -0.16 0.00 0.31 0.00 0.00 61.69 60.50 2jqy s THR 207 Cb -0.12 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 2jqy s THR 207 CO -0.04 -0.50 1.01 -2.16 -0.69 0.00 0.00 174.62 172.24 2jqy s PRO 208 N 1.43 3.75 -0.12 4.92 0.04 -1.26 -1.85 135.00 141.91 2jqy s PRO 208 Ca 0.03 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2jqy s PRO 208 Cb -0.23 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 2jqy s PRO 208 CO 0.02 -0.44 -0.12 0.71 0.04 0.00 0.00 177.00 177.21 2jqy s TYR 209 N -2.65 2.82 0.32 0.56 1.51 0.81 -3.57 117.35 117.14 2jqy s TYR 209 Ca 0.60 -0.51 -0.06 0.00 -1.01 0.00 0.00 57.07 56.08 2jqy s TYR 209 Cb -0.11 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 2jqy s TYR 209 CO 0.35 -0.11 0.49 0.95 -1.11 0.00 0.00 175.55 176.12 2jqy s THR 210 N 0.14 0.00 0.03 -0.71 -4.23 0.13 -1.91 115.64 109.08 2jqy s THR 210 Ca -0.06 -1.51 -0.27 0.00 -1.18 0.00 0.00 61.69 58.66 2jqy s THR 210 Cb -0.15 -2.55 0.08 0.00 1.34 0.00 0.00 72.50 71.23 2jqy s THR 210 CO 0.05 0.00 0.74 -0.60 -0.54 0.00 0.00 174.62 174.26 2jqy s ARG 211 N -3.27 1.03 0.03 3.99 3.52 -1.26 -1.17 118.95 121.82 2jqy s ARG 211 Ca 0.27 -0.17 -0.05 0.00 -0.13 0.00 0.00 55.73 55.65 2jqy s ARG 211 Cb -0.01 0.48 -0.01 0.00 -1.56 0.00 0.00 34.95 33.85 2jqy s ARG 211 CO 0.16 -0.41 0.09 0.42 -0.81 0.00 0.00 175.30 174.75 2jqy s ILE 212 N -2.65 0.12 0.00 4.11 1.01 -1.26 -4.97 121.20 117.56 2jqy s ILE 212 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.67 2jqy s ILE 212 Cb -0.01 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.78 2jqy s ILE 212 CO -0.05 -0.53 0.00 0.61 0.00 0.00 0.00 174.94 174.97 2jqy n GLY 213 N 1.06 2.86 3.59 6.18 0.00 -1.26 -4.99 105.19 112.63 2jqy n GLY 213 Ca -0.21 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 2jqy n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jqy s LEU 214 N 0.00 4.17 -0.08 0.99 1.43 -1.26 -4.88 118.68 119.05 2jqy s LEU 214 Ca 0.00 0.36 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 2jqy s LEU 214 Cb 0.00 -2.83 -0.12 0.00 0.03 0.00 0.00 46.19 43.28 2jqy s LEU 214 CO 0.00 -0.52 0.06 -0.67 0.23 0.00 0.00 176.35 175.45 2jqy n ASP 215 N 5.96 2.73 -0.37 2.29 2.03 -1.26 -4.59 116.55 123.34 2jqy n ASP 215 Ca -0.01 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.33 2jqy n ASP 215 Cb 0.49 0.83 0.17 0.00 -0.72 0.00 0.00 41.12 41.89 2jqy n ASP 215 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2jqy h ARG 216 N 0.00 1.13 -6.45 -0.67 2.43 -2.07 -3.40 114.38 105.34 2jqy h ARG 216 Ca -0.21 -0.07 -0.54 0.00 -0.81 0.00 0.00 59.98 58.35 2jqy h ARG 216 Cb 1.40 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2jqy h ARG 216 CO 0.01 0.75 0.42 -1.58 -1.51 0.00 0.00 179.97 178.05 2jqy s TRP 217 N -6.04 3.62 -0.30 2.20 0.52 -1.26 -5.01 118.94 112.67 2jqy s TRP 217 Ca -0.12 1.61 -0.17 0.00 0.02 0.00 0.00 56.10 57.44 2jqy s TRP 217 Cb 0.20 -3.19 0.19 0.00 -1.15 0.00 0.00 33.47 29.52 2jqy s TRP 217 CO 0.81 -0.31 1.19 -1.54 0.02 0.00 0.00 176.95 177.13 2jqy s SER 218 N 0.91 -0.20 -0.18 2.95 1.04 -1.26 -5.05 113.70 111.90 2jqy s SER 218 Ca 0.53 0.30 -0.07 0.00 0.48 0.00 0.00 55.95 57.19 2jqy s SER 218 Cb -0.23 1.16 -0.04 0.00 0.10 0.00 0.00 66.02 67.01 2jqy s SER 218 CO 0.29 -0.04 0.05 0.54 0.98 0.00 0.00 173.24 175.06 2jqy s ASN 219 N 1.65 5.57 -0.05 7.02 4.22 -1.26 -5.10 114.94 126.98 2jqy s ASN 219 Ca -0.04 0.07 0.03 0.00 -2.14 0.00 0.00 52.86 50.78 2jqy s ASN 219 Cb -0.02 -1.94 -0.03 0.00 1.28 0.00 0.00 41.25 40.54 2jqy s ASN 219 CO -0.14 0.18 -0.12 0.26 -2.04 0.00 0.00 177.10 175.25 2jqy s TRP 220 N 0.31 2.77 0.42 1.54 0.51 -1.26 -5.13 118.94 118.11 2jqy s TRP 220 Ca 0.03 -0.10 0.01 0.00 -2.12 0.00 0.00 56.10 53.92 2jqy s TRP 220 Cb -0.12 -1.65 -0.00 0.00 -0.81 0.00 0.00 33.47 30.88 2jqy s TRP 220 CO 0.00 0.24 0.04 -0.25 -0.51 0.00 0.00 176.95 176.47 2jqy n ASP 221 N 2.24 2.60 -4.42 2.95 8.00 -1.26 -5.07 116.55 121.59 2jqy n ASP 221 Ca -0.17 -2.93 -0.44 0.00 0.71 0.00 0.00 54.79 51.96 2jqy n ASP 221 Cb 0.52 0.49 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 2jqy n ASP 221 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2jqy n TRP 222 N -1.01 4.99 -4.50 1.24 7.02 -1.26 -4.97 117.44 118.96 2jqy n TRP 222 Ca -0.14 -3.49 -0.23 0.00 -1.02 0.00 0.00 57.50 52.62 2jqy n TRP 222 Cb 0.55 -2.05 -0.05 0.00 -2.42 0.00 0.00 31.31 27.34 2jqy n TRP 222 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2jqy n GLN 223 N 4.79 0.92 -0.93 -0.99 6.02 -1.26 -5.06 117.38 120.86 2jqy n GLN 223 Ca 0.34 -2.75 -0.04 0.00 -0.01 0.00 0.00 57.00 54.54 2jqy n GLN 223 Cb 0.41 1.01 0.17 0.00 1.02 0.00 0.00 30.24 32.85 2jqy n GLN 223 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2jqy n ASP 224 N -1.39 2.68 -4.57 1.08 8.00 -1.26 -4.99 116.55 116.10 2jqy n ASP 224 Ca -0.12 -3.84 -0.43 0.00 0.71 0.00 0.00 54.79 51.11 2jqy n ASP 224 Cb 0.48 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 2jqy n ASP 224 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jqy s ASP 225 N -3.01 6.49 -0.16 -2.24 1.11 -1.26 -4.83 116.67 112.77 2jqy s ASP 225 Ca 0.43 0.12 0.07 0.00 0.18 0.00 0.00 52.55 53.35 2jqy s ASP 225 Cb 0.39 -2.50 -0.14 0.00 1.07 0.00 0.00 42.92 41.74 2jqy s ASP 225 CO -0.03 -1.27 -0.06 2.30 1.18 0.00 0.00 175.17 177.30 2jqy n ILE 226 N 6.57 0.99 -3.79 0.77 -5.35 -1.26 -4.93 119.36 112.35 2jqy n ILE 226 Ca 0.08 -0.49 -0.28 0.00 -0.27 0.00 0.00 62.75 61.79 2jqy n ILE 226 Cb 0.49 -0.88 -0.16 0.00 -1.74 0.00 0.00 39.64 37.34 2jqy n ILE 226 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 2jqy s GLU 227 N -2.35 0.90 0.02 6.28 -1.05 -1.26 -5.12 118.70 116.12 2jqy s GLU 227 Ca -0.16 -0.45 -0.22 0.00 -0.15 0.00 0.00 54.97 53.99 2jqy s GLU 227 Cb 0.05 -2.03 0.05 0.00 -0.44 0.00 0.00 34.13 31.76 2jqy s GLU 227 CO 0.49 -0.56 0.49 0.50 0.95 0.00 0.00 175.26 177.13 2jqy s ARG 228 N 1.77 0.96 -0.78 -4.83 3.00 -1.26 -5.11 118.95 112.71 2jqy s ARG 228 Ca -0.01 -0.18 -0.04 0.00 -1.00 0.00 0.00 55.73 54.51 2jqy s ARG 228 Cb -0.16 0.44 0.20 0.00 0.00 0.00 0.00 34.95 35.42 2jqy s ARG 228 CO -0.07 -0.33 0.64 -2.00 0.00 0.00 0.00 175.30 173.54 2jqy s GLU 229 N -2.09 3.04 -0.18 5.12 2.12 -1.26 -4.84 118.70 120.61 2jqy s GLU 229 Ca -0.07 -2.85 0.13 0.00 0.36 0.00 0.00 54.97 52.53 2jqy s GLU 229 Cb -0.01 -3.94 0.40 0.00 0.26 0.00 0.00 34.13 30.84 2jqy s GLU 229 CO 0.01 -1.23 1.21 0.41 -0.54 0.00 0.00 175.26 175.12 2jqy n GLY 230 N 3.05 4.72 3.84 -1.50 0.00 -1.26 -5.06 105.19 108.98 2jqy n GLY 230 Ca 0.15 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 2jqy n GLY 230 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jqy s HIS 231 N -2.89 3.37 0.74 1.61 5.04 -1.26 -5.02 115.29 116.88 2jqy s HIS 231 Ca 0.37 1.38 -0.14 0.00 -1.54 0.00 0.00 55.06 55.13 2jqy s HIS 231 Cb 0.36 -2.81 0.05 0.00 0.04 0.00 0.00 32.58 30.21 2jqy s HIS 231 CO -0.07 -0.85 1.18 -0.51 -2.34 0.00 0.00 174.74 172.16 2jqy s ASP 232 N -3.72 4.19 -0.06 9.88 1.11 -1.26 -4.90 116.67 121.92 2jqy s ASP 232 Ca 0.58 2.27 -0.30 0.00 0.18 0.00 0.00 52.55 55.28 2jqy s ASP 232 Cb -0.12 -2.58 -0.06 0.00 1.07 0.00 0.00 42.92 41.22 2jqy s ASP 232 CO 0.49 -2.26 1.82 0.12 1.18 0.00 0.00 175.17 176.51 2jqy s PHE 233 N -2.14 1.65 0.40 4.23 2.19 -1.26 -4.99 117.98 118.07 2jqy s PHE 233 Ca 0.72 0.02 0.08 0.00 0.33 0.00 0.00 56.93 58.08 2jqy s PHE 233 Cb -0.27 -4.05 -0.01 0.00 -1.31 0.00 0.00 43.02 37.38 2jqy s PHE 233 CO 0.47 -4.41 0.43 -0.80 1.83 0.00 0.00 175.22 172.74 2jqy s ASN 234 N 4.33 5.35 -0.25 6.13 -0.87 -1.26 -5.01 114.94 123.35 2jqy s ASN 234 Ca 0.81 -0.57 0.01 0.00 -1.57 0.00 0.00 52.86 51.55 2jqy s ASN 234 Cb -0.36 -0.70 -0.17 0.00 -0.02 0.00 0.00 41.25 40.00 2jqy s ASN 234 CO 0.35 -0.63 -0.19 0.54 -2.57 0.00 0.00 177.10 174.59 2jqy n ARG 235 N -1.63 0.66 -4.33 -0.60 1.74 -1.26 -4.99 116.66 106.24 2jqy n ARG 235 Ca 0.04 0.16 -0.37 0.00 -0.77 0.00 0.00 57.85 56.91 2jqy n ARG 235 Cb 0.60 -1.53 -0.06 0.00 -1.02 0.00 0.00 32.46 30.46 2jqy n ARG 235 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2jqy n VAL 236 N -3.30 -0.86 -2.32 1.55 3.14 -0.80 -4.88 118.33 110.86 2jqy n VAL 236 Ca -0.45 -0.12 -0.35 0.00 -2.96 0.00 0.00 64.34 60.46 2jqy n VAL 236 Cb 0.99 -1.26 -0.01 0.00 -1.06 0.00 0.00 33.84 32.51 2jqy n VAL 236 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2jqy s GLY 237 N -3.54 2.60 -0.19 7.55 0.00 -0.94 -4.76 107.32 108.04 2jqy s GLY 237 Ca 0.60 0.77 0.01 0.00 0.00 0.00 0.00 44.72 46.11 2jqy s GLY 237 CO 0.97 1.12 -0.19 1.08 0.00 0.00 0.00 173.10 176.09 2jqy s LEU 238 N -3.74 2.28 -0.19 0.66 1.02 -0.99 -0.13 118.68 117.59 2jqy s LEU 238 Ca 0.71 -0.74 0.00 0.00 0.02 0.00 0.00 54.13 54.13 2jqy s LEU 238 Cb -0.22 -1.48 0.01 0.00 0.02 0.00 0.00 46.19 44.52 2jqy s LEU 238 CO 0.25 -0.03 -0.17 0.12 0.02 0.00 0.00 176.35 176.55 2jqy s PHE 239 N 1.27 2.82 0.20 0.29 2.19 -0.77 -1.57 117.98 122.41 2jqy s PHE 239 Ca 0.03 -1.51 -0.06 0.00 0.33 0.00 0.00 56.93 55.72 2jqy s PHE 239 Cb -0.14 -1.96 -0.06 0.00 -1.31 0.00 0.00 43.02 39.56 2jqy s PHE 239 CO -0.12 -0.76 0.46 -0.47 1.83 0.00 0.00 175.22 176.16 2jqy s TYR 240 N 1.33 3.46 -0.18 10.12 5.04 -0.53 0.39 117.35 136.98 2jqy s TYR 240 Ca 0.05 0.63 -0.08 0.00 -2.44 0.00 0.00 57.07 55.22 2jqy s TYR 240 Cb -0.13 -2.07 0.07 0.00 0.35 0.00 0.00 41.96 40.17 2jqy s TYR 240 CO -0.11 0.33 0.41 0.20 -1.34 0.00 0.00 175.55 175.04 2jqy s GLY 241 N -2.65 -0.33 0.16 8.97 0.00 0.18 -1.53 107.32 112.13 2jqy s GLY 241 Ca 0.43 1.50 -0.11 0.00 0.00 0.00 0.00 44.72 46.54 2jqy s GLY 241 CO 0.25 1.89 0.31 -0.47 0.00 0.00 0.00 173.10 175.09 2jqy s TYR 242 N 1.77 0.26 0.10 1.90 5.04 0.29 -1.34 117.35 125.37 2jqy s TYR 242 Ca -0.07 -0.63 0.06 0.00 -2.44 0.00 0.00 57.07 53.99 2jqy s TYR 242 Cb -0.10 0.03 -0.03 0.00 0.35 0.00 0.00 41.96 42.21 2jqy s TYR 242 CO -0.13 -0.73 -0.15 0.34 -1.34 0.00 0.00 175.55 173.55 2jqy s ASP 243 N -2.93 1.93 0.00 4.32 -1.08 -1.26 0.77 116.67 118.41 2jqy s ASP 243 Ca 0.14 -0.72 0.14 0.00 -0.52 0.00 0.00 52.55 51.58 2jqy s ASP 243 Cb 0.03 -0.07 0.43 0.00 -1.46 0.00 0.00 42.92 41.84 2jqy s ASP 243 CO -0.02 -0.09 1.34 0.33 0.52 0.00 0.00 175.17 177.24 2jqy n PHE 244 N 0.89 0.42 -2.26 -5.34 -0.00 -1.04 -4.90 117.46 105.24 2jqy n PHE 244 Ca -0.18 -0.21 -0.19 0.00 -0.00 0.00 0.00 57.45 56.87 2jqy n PHE 244 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 40.01 2jqy n PHE 244 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2jqy n GLN 245 N 0.50 -1.72 -0.61 -4.13 6.02 -1.26 -4.81 117.38 111.37 2jqy n GLN 245 Ca 0.13 0.97 0.02 0.00 -0.01 0.00 0.00 57.00 58.12 2jqy n GLN 245 Cb 0.31 -5.58 0.03 0.00 1.02 0.00 0.00 30.24 26.03 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 -1.84 0.61 0.00 1.08 4.13 -1.26 -4.98 115.26 113.00 2jqy n ASN 246 Ca -0.22 -2.25 0.00 0.00 1.68 0.00 0.00 54.58 53.79 2jqy n ASN 246 Cb 0.67 -0.27 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 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 -0.19 3.12 3.87 7.41 0.00 -1.26 -4.82 105.19 113.32 2jqy n GLY 247 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 4.17 0.36 0.99 2.34 -1.26 -1.98 118.68 123.31 2jqy s LEU 248 Ca 0.00 1.00 0.09 0.00 0.06 0.00 0.00 54.13 55.27 2jqy s LEU 248 Cb 0.00 -3.70 -0.06 0.00 -0.56 0.00 0.00 46.19 41.87 2jqy s LEU 248 CO 0.00 -0.07 0.00 -0.55 -1.06 0.00 0.00 176.35 174.67 2jqy s SER 249 N -2.27 4.05 -0.18 1.48 0.15 -0.57 -2.48 113.70 113.87 2jqy s SER 249 Ca 0.47 -1.11 -0.08 0.00 0.70 0.00 0.00 55.95 55.93 2jqy s SER 249 Cb -0.11 -0.46 0.07 0.00 -1.71 0.00 0.00 66.02 63.81 2jqy s SER 249 CO 0.20 -0.29 0.42 0.68 1.20 0.00 0.00 173.24 175.45 2jqy s VAL 250 N -2.58 -0.30 0.38 4.45 -7.23 0.23 0.12 120.40 115.46 2jqy s VAL 250 Ca 0.35 0.13 0.04 0.00 -1.81 0.00 0.00 61.98 60.68 2jqy s VAL 250 Cb 0.02 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 2jqy s VAL 250 CO 0.19 0.05 0.11 -0.94 -0.31 0.00 0.00 175.10 174.20 2jqy s SER 251 N 1.95 2.56 0.09 4.85 1.04 0.57 0.10 113.70 124.87 2jqy s SER 251 Ca -0.06 -1.58 -0.12 0.00 0.48 0.00 0.00 55.95 54.67 2jqy s SER 251 Cb -0.10 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.37 2jqy s SER 251 CO -0.13 -0.83 0.28 -0.76 0.98 0.00 0.00 173.24 172.77 2jqy s LEU 252 N -3.55 1.00 -0.07 2.42 1.02 -0.58 0.72 118.68 119.63 2jqy s LEU 252 Ca 0.28 -0.47 0.02 0.00 0.02 0.00 0.00 54.13 53.98 2jqy s LEU 252 Cb 0.05 1.35 0.02 0.00 0.02 0.00 0.00 46.19 47.62 2jqy s LEU 252 CO 0.15 -0.75 -0.11 -1.61 0.02 0.00 0.00 176.35 174.04 2jqy s GLU 253 N -3.64 1.66 -0.10 1.70 2.02 -0.37 -1.45 118.70 118.52 2jqy s GLU 253 Ca 0.03 -0.38 -0.01 0.00 0.02 0.00 0.00 54.97 54.62 2jqy s GLU 253 Cb 0.03 -1.42 0.03 0.00 0.10 0.00 0.00 34.13 32.87 2jqy s GLU 253 CO -0.10 -0.02 -0.01 -0.47 0.02 0.00 0.00 175.26 174.67 2jqy s TYR 254 N 0.83 0.93 0.24 1.61 5.04 -0.61 -1.28 117.35 124.11 2jqy s TYR 254 Ca -0.12 -0.41 -0.04 0.00 -2.44 0.00 0.00 57.07 54.07 2jqy s TYR 254 Cb -0.15 -0.95 -0.02 0.00 0.35 0.00 0.00 41.96 41.19 2jqy s TYR 254 CO 0.02 -0.41 0.28 0.00 -1.34 0.00 0.00 175.55 174.10 2jqy s ALA 255 N 1.89 0.78 0.28 3.97 0.00 -1.26 -2.34 121.76 125.08 2jqy s ALA 255 Ca 0.04 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2jqy s ALA 255 Cb -0.13 1.28 0.00 0.00 0.00 0.00 0.00 23.12 24.27 2jqy s ALA 255 CO -0.06 -0.70 0.00 0.34 0.00 0.00 0.00 175.76 175.34 2jqy n PHE 256 N -0.37 -3.39 -1.45 0.00 7.35 -1.26 -5.01 117.46 113.34 2jqy n PHE 256 Ca 0.01 1.51 0.18 0.00 -0.76 0.00 0.00 57.45 58.40 2jqy n PHE 256 Cb 0.64 -2.76 -0.08 0.00 0.35 0.00 0.00 39.48 37.63 2jqy n PHE 256 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2jqy n GLU 257 N -3.87 -3.25 -3.13 -4.13 1.02 -1.26 -5.00 120.64 101.02 2jqy n GLU 257 Ca 0.01 2.53 0.05 0.00 -0.02 0.00 0.00 57.16 59.73 2jqy n GLU 257 Cb 0.55 -3.84 -0.00 0.00 -0.02 0.00 0.00 31.44 28.14 2jqy n GLU 257 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2jqy s TRP 258 N -3.72 -1.03 0.46 -0.32 -0.00 -1.26 -5.17 118.94 107.90 2jqy s TRP 258 Ca 0.00 0.56 0.07 0.00 -0.00 0.00 0.00 56.10 56.72 2jqy s TRP 258 Cb 0.00 0.18 0.02 0.00 -0.00 0.00 0.00 33.47 33.67 2jqy s TRP 258 CO 0.00 -0.61 0.63 -1.14 -0.00 0.00 0.00 176.95 175.83 2jqy s GLN 259 N 2.81 2.73 -0.44 5.86 0.74 -1.26 -5.05 119.66 125.05 2jqy s GLN 259 Ca 0.20 -1.16 -0.29 0.00 0.05 0.00 0.00 55.36 54.17 2jqy s GLN 259 Cb -0.05 -2.69 0.03 0.00 1.10 0.00 0.00 33.01 31.40 2jqy s GLN 259 CO -0.23 -0.41 1.11 0.34 -0.55 0.00 0.00 175.29 175.55 2jqy s ASP 260 N -4.39 6.69 -0.42 6.67 2.15 -1.26 -4.99 116.67 121.12 2jqy s ASP 260 Ca 0.56 0.57 -0.25 0.00 0.43 0.00 0.00 52.55 53.86 2jqy s ASP 260 Cb -0.10 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.00 2jqy s ASP 260 CO 0.35 -1.15 0.90 -1.00 -0.17 0.00 0.00 175.17 174.10 2jqy s HIS 261 N 4.22 2.99 -0.25 -5.34 3.76 -1.26 -4.88 115.29 114.52 2jqy s HIS 261 Ca 0.46 0.50 -0.06 0.00 -0.15 0.00 0.00 55.06 55.81 2jqy s HIS 261 Cb -0.08 -3.80 -0.16 0.00 1.11 0.00 0.00 32.58 29.64 2jqy s HIS 261 CO 0.28 -0.98 -0.20 -3.47 -0.85 0.00 0.00 174.74 169.52 2jqy n ASP 262 N 6.95 1.98 -3.84 1.40 -0.08 -1.26 -5.01 116.55 116.68 2jqy n ASP 262 Ca 0.06 0.10 -0.12 0.00 -1.51 0.00 0.00 54.79 53.32 2jqy n ASP 262 Cb 0.48 -0.63 -0.12 0.00 2.34 0.00 0.00 41.12 43.19 2jqy n ASP 262 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2jqy s GLU 263 N -2.51 0.26 -0.37 -0.67 2.02 -1.26 -5.04 118.70 111.13 2jqy s GLU 263 Ca -0.35 -0.01 0.05 0.00 0.02 0.00 0.00 54.97 54.68 2jqy s GLU 263 Cb 0.11 0.12 0.62 0.00 0.10 0.00 0.00 34.13 35.07 2jqy s GLU 263 CO 0.57 -0.05 1.78 0.41 0.02 0.00 0.00 175.26 177.99 2jqy n GLY 264 N 2.50 3.97 0.10 -1.39 0.00 -1.26 -4.38 105.19 104.73 2jqy n GLY 264 Ca -0.16 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 2jqy n GLY 264 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jqy h ASP 265 N 1.34 0.12 -3.80 1.61 3.32 -2.05 -3.46 116.42 113.51 2jqy h ASP 265 Ca 0.47 -0.75 -0.48 0.00 0.02 0.00 0.00 57.03 56.28 2jqy h ASP 265 Cb 2.52 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 42.00 2jqy h ASP 265 CO 0.89 1.39 0.25 -0.55 -1.72 0.00 0.00 179.24 179.50 2jqy s SER 266 N -6.73 7.16 -0.29 6.45 0.15 -1.26 -5.05 113.70 114.13 2jqy s SER 266 Ca -0.23 1.65 -0.04 0.00 0.70 0.00 0.00 55.95 58.02 2jqy s SER 266 Cb 0.03 -2.51 0.19 0.00 -1.71 0.00 0.00 66.02 62.02 2jqy s SER 266 CO 0.67 -0.08 0.86 -0.62 1.20 0.00 0.00 173.24 175.27 2jqy s ASP 267 N -1.75 -0.91 1.18 5.45 -1.08 -1.26 -5.07 116.67 113.23 2jqy s ASP 267 Ca 0.50 0.13 -0.14 0.00 -0.52 0.00 0.00 52.55 52.52 2jqy s ASP 267 Cb -0.16 1.59 0.28 0.00 -1.46 0.00 0.00 42.92 43.17 2jqy s ASP 267 CO 0.21 -0.17 1.03 -0.54 0.52 0.00 0.00 175.17 176.22 2jqy s LYS 268 N 2.91 -1.06 -0.07 4.34 1.02 -1.26 -4.98 119.74 120.64 2jqy s LYS 268 Ca 0.20 0.60 0.10 0.00 0.02 0.00 0.00 55.97 56.89 2jqy s LYS 268 Cb -0.06 -1.56 -0.24 0.00 -0.52 0.00 0.00 37.83 35.46 2jqy s LYS 268 CO -0.24 -3.75 0.55 0.34 -0.92 0.00 0.00 175.35 171.33 2jqy n PHE 269 N -4.90 0.91 -4.15 3.18 7.35 -1.26 -4.90 117.46 113.69 2jqy n PHE 269 Ca 0.05 0.31 -0.34 0.00 -0.76 0.00 0.00 57.45 56.70 2jqy n PHE 269 Cb 0.56 -1.16 -0.08 0.00 0.35 0.00 0.00 39.48 39.15 2jqy n PHE 269 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2jqy s HIS 270 N -2.58 3.29 0.00 -5.13 3.76 -1.26 -4.99 115.29 108.38 2jqy s HIS 270 Ca -0.08 0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 2jqy s HIS 270 Cb 0.08 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.99 2jqy s HIS 270 CO 0.81 0.55 0.00 0.66 -0.85 0.00 0.00 174.74 175.92 2jqy n TYR 271 N 1.54 -0.61 0.00 1.40 4.01 -1.26 -5.10 117.16 117.15 2jqy n TYR 271 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2jqy n TYR 271 Cb 0.53 0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.84 2jqy n TYR 271 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jqy n ALA 272 N -1.83 3.00 -2.51 -0.72 0.00 -1.26 -4.74 120.51 112.44 2jqy n ALA 272 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2jqy n ALA 272 Cb 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.35 2jqy n ALA 272 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jqy s GLY 273 N -3.49 1.71 -0.00 0.00 0.00 -0.40 -1.40 107.32 103.74 2jqy s GLY 273 Ca 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 44.72 43.30 2jqy s GLY 273 CO 0.00 -1.39 0.04 0.54 0.00 0.00 0.00 173.10 172.29 2jqy s VAL 274 N -1.33 0.05 -0.05 1.40 0.11 0.48 -1.24 120.40 119.82 2jqy s VAL 274 Ca 0.20 -0.44 0.03 0.00 -2.93 0.00 0.00 61.98 58.84 2jqy s VAL 274 Cb -0.10 -0.21 0.01 0.00 -1.53 0.00 0.00 36.38 34.55 2jqy s VAL 274 CO 0.12 -0.24 -0.12 -0.83 -3.33 0.00 0.00 175.10 170.69 2jqy s GLY 275 N -0.74 0.75 -0.09 6.54 0.00 0.22 -0.66 107.32 113.34 2jqy s GLY 275 Ca -0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 44.72 44.20 2jqy s GLY 275 CO -0.00 0.01 -0.05 -1.34 0.00 0.00 0.00 173.10 171.72 2jqy s VAL 276 N 0.48 3.85 0.13 1.40 -7.23 -0.73 -0.31 120.40 117.99 2jqy s VAL 276 Ca -0.10 -0.41 0.05 0.00 -1.81 0.00 0.00 61.98 59.71 2jqy s VAL 276 Cb -0.14 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 2jqy s VAL 276 CO 0.03 0.58 -0.13 0.20 -0.31 0.00 0.00 175.10 175.47 2jqy s ASN 277 N -0.55 1.94 -0.13 4.85 0.01 0.32 -0.75 114.94 120.62 2jqy s ASN 277 Ca 0.08 -0.88 -0.11 0.00 -0.71 0.00 0.00 52.86 51.25 2jqy s ASN 277 Cb -0.12 -0.05 0.04 0.00 0.41 0.00 0.00 41.25 41.53 2jqy s ASN 277 CO 0.02 -0.21 0.34 -0.31 -1.51 0.00 0.00 177.10 175.44 2jqy s TYR 278 N -2.56 -0.41 -0.05 2.20 1.51 -0.92 -1.51 117.35 115.61 2jqy s TYR 278 Ca 0.12 0.97 -0.03 0.00 -1.01 0.00 0.00 57.07 57.11 2jqy s TYR 278 Cb -0.02 0.14 0.02 0.00 -0.11 0.00 0.00 41.96 41.99 2jqy s TYR 278 CO 0.02 -0.21 0.13 -1.12 -1.11 0.00 0.00 175.55 173.26 2jqy s SER 279 N 0.51 -0.11 0.00 2.29 0.01 -0.84 0.11 113.70 115.68 2jqy s SER 279 Ca -0.03 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.49 2jqy s SER 279 Cb -0.04 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2jqy s SER 279 CO -0.03 -0.09 0.22 0.49 0.41 0.00 0.00 173.24 174.24