#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxj s SER 3 N 0.00 7.41 0.49 7.72 0.01 -1.26 -4.92 113.70 123.15 1jxj s SER 3 Ca 0.00 1.79 0.27 0.00 1.31 0.00 0.00 55.95 59.32 1jxj s SER 3 Cb 0.00 -2.58 1.22 0.00 0.21 0.00 0.00 66.02 64.87 1jxj s SER 3 CO 0.00 -0.17 1.95 0.77 0.41 0.00 0.00 173.24 176.20 1jxj h SER 4 N 6.05 0.00 -1.67 2.44 4.64 -1.95 -3.35 113.55 119.70 1jxj h SER 4 Ca -0.42 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.50 1jxj h SER 4 Cb 1.21 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.20 1jxj h SER 4 CO 0.74 0.15 -0.42 0.59 -0.87 0.00 0.00 176.83 177.02 1jxj n ASN 5 N -3.42 -5.48 -4.87 4.97 3.02 -1.26 -4.69 115.26 103.53 1jxj n ASN 5 Ca -0.01 0.29 -0.30 0.00 -0.03 0.00 0.00 54.58 54.53 1jxj n ASN 5 Cb 0.33 -4.63 0.06 0.00 -0.61 0.00 0.00 39.78 34.93 1jxj n ASN 5 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1jxj s THR 6 N -2.83 3.36 0.52 3.41 -4.23 -1.26 -4.96 115.64 109.65 1jxj s THR 6 Ca 0.00 0.44 -0.22 0.00 -1.18 0.00 0.00 61.69 60.73 1jxj s THR 6 Cb 0.00 -3.39 -0.07 0.00 1.34 0.00 0.00 72.50 70.38 1jxj s THR 6 CO 0.00 -0.58 1.19 1.67 -0.54 0.00 0.00 174.62 176.36 1jxj n GLN 7 N -3.09 1.49 -1.66 3.99 7.27 -1.26 -4.87 117.38 119.24 1jxj n GLN 7 Ca 0.07 0.55 -0.45 0.00 0.07 0.00 0.00 57.00 57.24 1jxj n GLN 7 Cb 0.57 -2.35 -0.02 0.00 2.41 0.00 0.00 30.24 30.84 1jxj n GLN 7 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1jxj n GLN 8 N -0.62 1.94 -0.97 3.69 -0.06 -1.26 -1.40 117.38 118.70 1jxj n GLN 8 Ca 0.10 0.69 0.00 0.00 -2.00 0.00 0.00 57.00 55.79 1jxj n GLN 8 Cb 0.43 -2.31 0.00 0.00 -4.06 0.00 0.00 30.24 24.31 1jxj n GLN 8 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jxj n GLY 9 N 1.89 0.50 3.15 1.69 0.00 -1.26 -5.04 105.19 106.12 1jxj n GLY 9 Ca 0.11 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1jxj n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jxj s ARG 10 N -0.31 2.89 0.00 1.61 0.52 -0.49 -4.76 118.95 118.41 1jxj s ARG 10 Ca 0.00 -0.81 0.01 0.00 -0.52 0.00 0.00 55.73 54.41 1jxj s ARG 10 Cb 0.00 -2.36 0.01 0.00 0.52 0.00 0.00 34.95 33.12 1jxj s ARG 10 CO 0.00 -0.04 0.65 0.25 0.02 0.00 0.00 175.30 176.19 1jxj n THR 11 N 4.13 0.26 -4.21 0.02 -2.24 -1.26 -4.71 114.28 106.28 1jxj n THR 11 Ca -0.20 -0.63 -0.16 0.00 -2.27 0.00 0.00 64.05 60.79 1jxj n THR 11 Cb 0.51 0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 69.51 1jxj n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1jxj s SER 12 N -0.31 1.70 0.14 3.42 0.01 -1.26 -4.08 113.70 113.31 1jxj s SER 12 Ca 0.01 -0.81 0.09 0.00 1.31 0.00 0.00 55.95 56.54 1jxj s SER 12 Cb 0.01 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 1jxj s SER 12 CO 0.01 -0.21 -0.14 0.27 0.41 0.00 0.00 173.24 173.58 1jxj s ILE 13 N -2.32 3.06 -0.09 1.44 -5.25 -0.68 -0.66 121.20 116.70 1jxj s ILE 13 Ca 0.07 -1.51 0.02 0.00 -0.99 0.00 0.00 60.65 58.24 1jxj s ILE 13 Cb -0.04 -2.45 -0.02 0.00 2.95 0.00 0.00 42.46 42.90 1jxj s ILE 13 CO 0.01 0.03 -0.14 0.54 -1.79 0.00 0.00 174.94 173.59 1jxj s VAL 14 N -1.35 2.98 -0.63 8.37 0.11 0.68 -0.52 120.40 130.04 1jxj s VAL 14 Ca 0.21 -0.72 -0.25 0.00 -2.93 0.00 0.00 61.98 58.29 1jxj s VAL 14 Cb -0.10 -2.21 0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1jxj s VAL 14 CO 0.13 0.55 1.09 -2.28 -3.33 0.00 0.00 175.10 171.26 1jxj s HIS 15 N -0.11 2.59 -1.26 1.54 2.46 -0.21 -0.88 115.29 119.41 1jxj s HIS 15 Ca -0.02 -0.07 -0.12 0.00 0.47 0.00 0.00 55.06 55.32 1jxj s HIS 15 Cb -0.14 -4.36 0.15 0.00 -0.13 0.00 0.00 32.58 28.10 1jxj s HIS 15 CO 0.04 -1.67 1.71 1.28 -2.47 0.00 0.00 174.74 173.63 1jxj n LEU 16 N 8.24 5.96 -4.67 8.88 4.77 -1.04 -1.40 117.00 137.74 1jxj n LEU 16 Ca 0.02 -4.49 -0.42 0.00 -0.03 0.00 0.00 56.01 51.09 1jxj n LEU 16 Cb 0.48 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.97 1jxj n LEU 16 CO 0.67 1.01 1.55 0.12 -1.33 0.00 0.00 177.39 179.41 1jxj s PHE 17 N 1.30 1.55 0.00 -1.77 5.36 -1.14 -2.06 117.98 121.21 1jxj s PHE 17 Ca 0.42 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 56.10 1jxj s PHE 17 Cb 0.04 -4.20 0.00 0.00 -0.34 0.00 0.00 43.02 38.53 1jxj s PHE 17 CO 0.00 -5.23 0.00 0.39 -1.46 0.00 0.00 175.22 168.92 1jxj n GLU 18 N 7.08 -0.59 -1.93 10.12 -0.58 -1.26 -4.81 120.64 128.68 1jxj n GLU 18 Ca 0.19 0.15 -0.37 0.00 -0.42 0.00 0.00 57.16 56.70 1jxj n GLU 18 Cb 0.41 -4.13 0.03 0.00 -0.57 0.00 0.00 31.44 27.18 1jxj n GLU 18 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1jxj s TRP 19 N -1.63 2.41 0.42 -0.32 0.52 -0.88 -4.87 118.94 114.60 1jxj s TRP 19 Ca 0.00 1.45 -0.23 0.00 0.02 0.00 0.00 56.10 57.33 1jxj s TRP 19 Cb 0.00 -3.64 -0.08 0.00 -1.15 0.00 0.00 33.47 28.60 1jxj s TRP 19 CO 0.00 -2.47 1.09 1.03 0.02 0.00 0.00 176.95 176.61 1jxj s ARG 20 N -3.00 4.02 0.27 4.98 0.52 -1.26 -4.78 118.95 119.70 1jxj s ARG 20 Ca 0.72 1.59 -0.01 0.00 -0.52 0.00 0.00 55.73 57.51 1jxj s ARG 20 Cb -0.36 -2.48 0.50 0.00 0.52 0.00 0.00 34.95 33.13 1jxj s ARG 20 CO 0.41 -0.28 1.83 -1.49 0.02 0.00 0.00 175.30 175.79 1jxj h TRP 21 N 2.31 1.08 -0.21 -0.53 -0.00 -1.43 -1.05 115.95 116.13 1jxj h TRP 21 Ca -0.49 0.03 -0.07 0.00 -0.00 0.00 0.00 58.89 58.37 1jxj h TRP 21 Cb 1.23 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 30.03 1jxj h TRP 21 CO 0.56 0.45 -0.17 -0.24 -0.00 0.00 0.00 178.44 179.04 1jxj h VAL 22 N 0.97 1.22 -0.09 1.49 3.04 -1.84 0.44 116.25 121.48 1jxj h VAL 22 Ca 0.47 -0.99 -0.20 0.00 -1.01 0.00 0.00 66.70 64.96 1jxj h VAL 22 Cb 0.42 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1jxj h VAL 22 CO -0.25 0.31 -0.77 0.44 -1.01 0.00 0.00 177.57 176.29 1jxj h ASP 23 N 0.33 0.62 -0.41 3.17 3.32 -1.66 -2.14 116.42 119.65 1jxj h ASP 23 Ca 0.06 -0.42 -0.14 0.00 0.02 0.00 0.00 57.03 56.56 1jxj h ASP 23 Cb 0.49 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1jxj h ASP 23 CO 0.03 1.18 -0.26 0.40 -1.72 0.00 0.00 179.24 178.88 1jxj h ILE 24 N 0.35 1.27 -0.12 0.35 2.04 -0.73 -0.71 117.51 119.96 1jxj h ILE 24 Ca -0.04 -1.42 0.01 0.00 1.00 0.00 0.00 64.86 64.41 1jxj h ILE 24 Cb 1.37 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1jxj h ILE 24 CO 0.14 0.48 0.03 0.00 0.00 0.00 0.00 178.15 178.80 1jxj h ALA 25 N 0.90 0.12 -0.51 1.87 0.00 -0.79 0.88 119.26 121.73 1jxj h ALA 25 Ca 0.10 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jxj h ALA 25 Cb 0.83 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1jxj h ALA 25 CO 0.07 -0.43 0.33 -0.07 0.00 0.00 0.00 179.25 179.15 1jxj h LEU 26 N 0.08 0.56 -0.91 0.00 3.38 -1.32 -2.70 115.31 114.41 1jxj h LEU 26 Ca 0.05 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1jxj h LEU 26 Cb 0.04 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 1jxj h LEU 26 CO -0.07 0.40 0.56 -0.08 0.09 0.00 0.00 178.44 179.35 1jxj h GLU 27 N 0.67 0.95 -0.45 1.13 4.57 -0.41 0.17 114.58 121.22 1jxj h GLU 27 Ca 0.19 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.39 1jxj h GLU 27 Cb -0.05 -0.21 -0.06 0.00 -0.16 0.00 0.00 28.75 28.27 1jxj h GLU 27 CO -0.06 0.63 0.10 0.00 -1.18 0.00 0.00 179.01 178.50 1jxj h GLU 29 N 0.24 0.46 0.00 0.00 5.08 -1.04 -0.41 114.58 118.91 1jxj h GLU 29 Ca 0.22 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1jxj h GLU 29 Cb 0.27 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1jxj h GLU 29 CO -0.27 0.97 -0.42 2.89 -1.00 0.00 0.00 179.01 181.18 1jxj n ARG 30 N -4.33 0.04 0.11 2.33 1.85 0.49 -4.67 116.66 112.47 1jxj n ARG 30 Ca -0.08 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1jxj n ARG 30 Cb 0.53 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 1jxj n ARG 30 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1jxj n TYR 31 N -1.57 -2.51 -0.23 2.89 9.36 -0.56 -4.86 117.16 119.67 1jxj n TYR 31 Ca 0.06 0.57 -0.08 0.00 3.32 0.00 0.00 57.90 61.76 1jxj n TYR 31 Cb 0.35 1.44 0.04 0.00 -0.63 0.00 0.00 39.34 40.54 1jxj n TYR 31 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1jxj h LEU 32 N 0.00 1.07 0.73 2.98 3.38 -1.10 0.02 115.31 122.39 1jxj h LEU 32 Ca 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1jxj h LEU 32 Cb 0.00 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.47 1jxj h LEU 32 CO 0.00 1.07 -0.35 0.00 0.09 0.00 0.00 178.44 179.25 1jxj h ALA 33 N 1.04 -0.98 0.00 1.53 0.00 -1.29 -1.25 119.26 118.31 1jxj h ALA 33 Ca 0.20 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1jxj h ALA 33 Cb 0.47 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1jxj h ALA 33 CO 0.02 -0.97 -0.25 -1.00 0.00 0.00 0.00 179.25 177.05 1jxj h PRO 34 N -1.15 0.00 -0.40 0.00 0.13 -1.80 -2.33 132.00 126.45 1jxj h PRO 34 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1jxj h PRO 34 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1jxj h PRO 34 CO 0.16 0.25 0.00 1.63 -0.23 0.00 0.00 178.00 179.81 1jxj n LYS 35 N -4.21 1.79 -1.09 0.86 4.76 -0.01 -4.93 118.16 115.33 1jxj n LYS 35 Ca -0.02 -0.99 -0.03 0.00 -2.87 0.00 0.00 58.31 54.40 1jxj n LYS 35 Cb 0.30 -1.34 -0.01 0.00 -1.84 0.00 0.00 35.03 32.15 1jxj n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jxj n GLY 36 N 0.76 0.62 3.77 0.72 0.00 -0.88 -4.57 105.19 105.61 1jxj n GLY 36 Ca 0.09 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 1jxj n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jxj s PHE 37 N -2.03 3.17 0.11 1.61 0.40 -0.50 -4.47 117.98 116.26 1jxj s PHE 37 Ca 0.00 1.51 -0.03 0.00 -0.60 0.00 0.00 56.93 57.81 1jxj s PHE 37 Cb 0.00 -3.54 -0.17 0.00 0.51 0.00 0.00 43.02 39.82 1jxj s PHE 37 CO 0.00 -1.46 1.24 0.78 0.70 0.00 0.00 175.22 176.48 1jxj h GLY 38 N 3.33 0.34 0.00 4.36 0.00 -1.17 -3.44 103.07 106.48 1jxj h GLY 38 Ca -0.48 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.14 1jxj h GLY 38 CO 0.65 0.62 0.00 0.61 0.00 0.00 0.00 176.54 178.43 1jxj n GLY 39 N 1.21 -1.35 2.99 4.60 0.00 -1.09 -1.84 105.19 109.72 1jxj n GLY 39 Ca -0.07 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 1jxj n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jxj s VAL 40 N -2.25 1.01 -0.20 1.61 1.01 0.98 -0.23 120.40 122.34 1jxj s VAL 40 Ca 0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 1jxj s VAL 40 Cb 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1jxj s VAL 40 CO 0.00 0.33 0.67 -1.58 0.00 0.00 0.00 175.10 174.52 1jxj s GLN 41 N 0.77 4.22 0.16 2.72 0.74 -0.06 0.03 119.66 128.24 1jxj s GLN 41 Ca -0.13 0.70 0.03 0.00 0.05 0.00 0.00 55.36 56.01 1jxj s GLN 41 Cb -0.15 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.34 1jxj s GLN 41 CO 0.02 -0.27 0.26 0.14 -0.55 0.00 0.00 175.29 174.89 1jxj s VAL 42 N 2.01 5.16 0.82 1.34 -7.23 -0.24 -2.51 120.40 119.75 1jxj s VAL 42 Ca 0.30 -0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 59.57 1jxj s VAL 42 Cb -0.16 -3.67 0.09 0.00 0.56 0.00 0.00 36.38 33.21 1jxj s VAL 42 CO 0.11 -0.12 1.15 -0.44 -0.31 0.00 0.00 175.10 175.48 1jxj s SER 43 N -3.28 3.69 -0.14 4.85 0.01 -1.26 -2.88 113.70 114.70 1jxj s SER 43 Ca 0.34 2.14 -0.38 0.00 1.31 0.00 0.00 55.95 59.36 1jxj s SER 43 Cb -0.11 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.41 1jxj s SER 43 CO 0.28 -2.59 1.67 -2.65 0.41 0.00 0.00 173.24 170.36 1jxj n PRO 44 N -3.62 1.40 0.00 12.44 -0.02 -1.26 -4.60 135.00 139.35 1jxj n PRO 44 Ca 0.12 0.51 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 1jxj n PRO 44 Cb 0.52 -2.22 0.61 0.00 -0.02 0.00 0.00 33.50 32.39 1jxj n PRO 44 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1jxj n PRO 45 N 4.87 1.48 -3.58 0.52 -0.04 -1.26 -4.90 135.00 132.09 1jxj n PRO 45 Ca 0.23 -0.73 -0.32 0.00 -0.04 0.00 0.00 63.50 62.64 1jxj n PRO 45 Cb 0.18 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.11 1jxj n PRO 45 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jxj s ASN 46 N -2.03 6.54 0.22 3.54 4.22 -1.26 -2.59 114.94 123.58 1jxj s ASN 46 Ca 0.39 0.72 -0.31 0.00 -2.14 0.00 0.00 52.86 51.52 1jxj s ASN 46 Cb 0.21 -2.14 -0.15 0.00 1.28 0.00 0.00 41.25 40.45 1jxj s ASN 46 CO 0.35 0.01 1.12 1.21 -2.04 0.00 0.00 177.10 177.75 1jxj n GLU 47 N 0.02 1.28 -4.40 3.55 2.13 0.12 -4.76 120.64 118.59 1jxj n GLU 47 Ca -0.01 0.45 -0.20 0.00 0.66 0.00 0.00 57.16 58.06 1jxj n GLU 47 Cb 0.52 -1.91 -0.10 0.00 0.27 0.00 0.00 31.44 30.22 1jxj n GLU 47 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1jxj s ASN 48 N -0.18 1.91 0.21 4.31 4.22 -1.26 -0.84 114.94 123.31 1jxj s ASN 48 Ca 0.68 -1.50 -0.30 0.00 -2.14 0.00 0.00 52.86 49.59 1jxj s ASN 48 Cb -0.79 0.26 -0.10 0.00 1.28 0.00 0.00 41.25 41.90 1jxj s ASN 48 CO 0.55 -0.80 1.43 -0.69 -2.04 0.00 0.00 177.10 175.55 1jxj s VAL 49 N -3.49 2.83 -0.53 3.54 1.01 -0.51 -1.04 120.40 122.22 1jxj s VAL 49 Ca 0.34 0.67 -0.24 0.00 0.00 0.00 0.00 61.98 62.75 1jxj s VAL 49 Cb 0.06 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 33.05 1jxj s VAL 49 CO 0.15 0.09 0.91 0.00 0.00 0.00 0.00 175.10 176.26 1jxj s ALA 50 N 0.32 3.19 -0.18 5.51 0.00 0.36 -4.74 121.76 126.22 1jxj s ALA 50 Ca 0.61 -1.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 1jxj s ALA 50 Cb -0.41 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.00 1jxj s ALA 50 CO 0.39 -2.29 0.53 0.42 0.00 0.00 0.00 175.76 174.81 1jxj s ILE 51 N 3.80 5.11 -0.78 0.00 -1.09 -1.26 -4.72 121.20 122.26 1jxj s ILE 51 Ca 0.30 0.99 0.17 0.00 -2.23 0.00 0.00 60.65 59.89 1jxj s ILE 51 Cb -0.13 -3.85 -0.19 0.00 -1.58 0.00 0.00 42.46 36.71 1jxj s ILE 51 CO 0.20 0.20 0.72 1.41 -1.23 0.00 0.00 174.94 176.24 1jxj n HIS 52 N 4.58 0.00 -3.76 3.97 8.25 -1.26 -1.27 115.22 125.74 1jxj n HIS 52 Ca -0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.15 1jxj n HIS 52 Cb 0.51 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.43 1jxj n HIS 52 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1jxj s ASN 53 N -2.69 2.38 1.24 0.41 2.47 -1.26 -3.37 114.94 114.13 1jxj s ASN 53 Ca 0.06 -0.52 -0.19 0.00 0.42 0.00 0.00 52.86 52.63 1jxj s ASN 53 Cb 0.13 -0.55 0.30 0.00 -1.45 0.00 0.00 41.25 39.68 1jxj s ASN 53 CO 0.71 -0.25 1.05 -2.16 -3.72 0.00 0.00 177.10 172.73 1jxj s PRO 54 N 1.89 -1.51 -0.65 0.43 0.04 -1.26 -5.00 135.00 128.94 1jxj s PRO 54 Ca 0.02 0.12 -0.27 0.00 0.04 0.00 0.00 61.00 60.91 1jxj s PRO 54 Cb -0.15 -1.55 0.01 0.00 0.04 0.00 0.00 34.50 32.85 1jxj s PRO 54 CO -0.07 -3.94 1.53 0.12 0.04 0.00 0.00 177.00 174.68 1jxj s PHE 55 N -2.76 2.04 -1.14 0.56 5.36 -1.22 -4.23 117.98 116.60 1jxj s PHE 55 Ca 0.69 0.38 -0.11 0.00 -0.96 0.00 0.00 56.93 56.94 1jxj s PHE 55 Cb -0.13 -4.37 -0.03 0.00 -0.34 0.00 0.00 43.02 38.15 1jxj s PHE 55 CO 0.57 -2.16 0.83 0.54 -1.46 0.00 0.00 175.22 173.55 1jxj n ARG 56 N 9.14 -2.46 -1.10 10.12 5.12 -0.39 -4.66 116.66 132.43 1jxj n ARG 56 Ca 0.12 0.65 -0.30 0.00 -1.93 0.00 0.00 57.85 56.39 1jxj n ARG 56 Cb 0.50 -5.02 0.14 0.00 -1.16 0.00 0.00 32.46 26.92 1jxj n ARG 56 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1jxj s PRO 57 N -5.36 1.37 0.41 5.56 0.04 -1.26 -3.54 135.00 132.21 1jxj s PRO 57 Ca 0.37 1.03 0.15 0.00 0.04 0.00 0.00 61.00 62.59 1jxj s PRO 57 Cb -0.09 -1.81 0.87 0.00 0.04 0.00 0.00 34.50 33.51 1jxj s PRO 57 CO 0.80 -2.22 1.88 1.37 0.04 0.00 0.00 177.00 178.87 1jxj h LEU 58 N -1.55 0.00 0.00 -3.56 8.10 -1.31 -2.60 115.31 114.40 1jxj h LEU 58 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.51 1jxj h LEU 58 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.49 1jxj h LEU 58 CO 0.51 0.30 0.00 -2.67 -4.11 0.00 0.00 178.44 172.48 1jxj n TRP 59 N -4.04 0.00 0.26 0.17 4.27 -1.26 -2.59 117.44 114.24 1jxj n TRP 59 Ca -0.02 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.73 1jxj n TRP 59 Cb 0.36 -0.44 0.64 0.00 -1.36 0.00 0.00 31.31 30.51 1jxj n TRP 59 CO 0.00 0.00 0.00 1.05 -2.29 0.00 0.00 177.69 176.45 1jxj h GLU 60 N 0.00 0.00 0.00 -2.67 4.11 -1.77 -2.17 114.58 112.08 1jxj h GLU 60 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jxj h GLU 60 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1jxj h GLU 60 CO 0.00 0.12 0.00 0.54 0.07 0.00 0.00 179.01 179.74 1jxj n ARG 61 N -3.36 0.08 -0.84 1.06 1.74 -1.07 -2.17 116.66 112.11 1jxj n ARG 61 Ca -0.00 0.26 0.06 0.00 -0.77 0.00 0.00 57.85 57.40 1jxj n ARG 61 Cb 0.32 -1.64 0.38 0.00 -1.02 0.00 0.00 32.46 30.50 1jxj n ARG 61 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1jxj n TYR 62 N -1.80 1.95 -3.68 -1.55 4.01 -0.81 -4.61 117.16 110.66 1jxj n TYR 62 Ca 0.04 -0.68 -0.28 0.00 -0.16 0.00 0.00 57.90 56.82 1jxj n TYR 62 Cb 0.24 -0.49 -0.11 0.00 -0.31 0.00 0.00 39.34 38.66 1jxj n TYR 62 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1jxj s GLN 63 N -2.64 1.73 0.60 -0.72 -0.21 -0.92 -4.89 119.66 112.60 1jxj s GLN 63 Ca 0.51 -2.72 -0.20 0.00 0.02 0.00 0.00 55.36 52.97 1jxj s GLN 63 Cb 0.39 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.85 1jxj s GLN 63 CO 0.15 -1.31 1.31 -2.30 -2.12 0.00 0.00 175.29 171.02 1jxj n PRO 64 N 2.48 1.37 -0.03 2.91 -0.02 -1.25 -1.42 135.00 139.04 1jxj n PRO 64 Ca 0.22 0.52 -0.03 0.00 -2.02 0.00 0.00 63.50 62.19 1jxj n PRO 64 Cb 0.40 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 1jxj n PRO 64 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1jxj n VAL 65 N -1.50 0.40 -3.26 -1.45 0.31 -0.02 -3.05 118.33 109.76 1jxj n VAL 65 Ca 0.13 -0.22 -0.02 0.00 -0.01 0.00 0.00 64.34 64.22 1jxj n VAL 65 Cb 0.46 -0.83 0.01 0.00 -0.91 0.00 0.00 33.84 32.57 1jxj n VAL 65 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1jxj n SER 66 N -2.33 -0.52 -1.31 4.52 3.41 -1.18 -4.71 113.62 111.51 1jxj n SER 66 Ca -0.10 -1.35 0.09 0.00 -0.26 0.00 0.00 58.87 57.25 1jxj n SER 66 Cb 0.68 0.86 0.31 0.00 -0.26 0.00 0.00 64.21 65.79 1jxj n SER 66 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1jxj n TYR 67 N -0.14 1.23 -2.16 7.33 4.01 -1.26 -3.44 117.16 122.74 1jxj n TYR 67 Ca -0.02 -0.65 -0.40 0.00 -0.16 0.00 0.00 57.90 56.67 1jxj n TYR 67 Cb 0.14 -0.23 -0.02 0.00 -0.31 0.00 0.00 39.34 38.92 1jxj n TYR 67 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1jxj s LYS 68 N -1.92 4.29 -1.24 -0.72 1.02 -1.26 -4.76 119.74 115.15 1jxj s LYS 68 Ca 0.45 2.13 -0.14 0.00 0.02 0.00 0.00 55.97 58.43 1jxj s LYS 68 Cb 0.30 -2.99 0.16 0.00 -0.52 0.00 0.00 37.83 34.78 1jxj s LYS 68 CO 0.20 -0.21 1.55 1.28 -0.92 0.00 0.00 175.35 177.24 1jxj n LEU 69 N 0.65 5.40 -3.27 3.17 4.77 -1.26 0.14 117.00 126.60 1jxj n LEU 69 Ca 0.01 -4.41 -0.07 0.00 -0.03 0.00 0.00 56.01 51.51 1jxj n LEU 69 Cb 0.43 -1.62 -0.04 0.00 -2.33 0.00 0.00 43.42 39.86 1jxj n LEU 69 CO 0.57 0.75 -0.03 0.00 -1.33 0.00 0.00 177.39 177.35 1jxj n THR 71 N 4.98 0.00 0.29 0.00 -2.24 -0.67 -3.82 114.28 112.82 1jxj n THR 71 Ca 0.05 -1.82 0.17 0.00 -2.27 0.00 0.00 64.05 60.18 1jxj n THR 71 Cb 0.51 0.95 0.82 0.00 -2.10 0.00 0.00 70.33 70.51 1jxj n THR 71 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1jxj h ARG 72 N 0.00 0.00 0.00 -0.78 3.08 -1.94 -0.85 114.38 113.89 1jxj h ARG 72 Ca -0.19 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 1jxj h ARG 72 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1jxj h ARG 72 CO 0.28 0.00 -0.36 0.77 -1.07 0.00 0.00 179.97 179.59 1jxj h SER 73 N 0.00 0.00 -2.87 7.04 0.02 -1.89 -3.43 113.55 112.42 1jxj h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jxj h SER 73 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1jxj h SER 73 CO 0.00 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.66 1jxj n GLY 74 N 0.82 0.47 2.02 -3.77 0.00 -0.33 -1.03 105.19 103.38 1jxj n GLY 74 Ca 0.01 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1jxj n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jxj n ASN 75 N 0.00 0.67 -0.11 1.61 0.23 -1.26 -1.68 115.26 114.73 1jxj n ASN 75 Ca 0.00 -1.58 -0.06 0.00 -0.53 0.00 0.00 54.58 52.41 1jxj n ASN 75 Cb 0.00 -0.34 0.11 0.00 -2.08 0.00 0.00 39.78 37.47 1jxj n ASN 75 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1jxj h GLU 76 N 0.00 0.81 -0.69 -3.83 4.81 -1.52 -0.47 114.58 113.70 1jxj h GLU 76 Ca -0.17 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1jxj h GLU 76 Cb 0.63 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1jxj h GLU 76 CO 0.18 0.88 0.31 -0.44 -0.73 0.00 0.00 179.01 179.22 1jxj h ASP 77 N 0.74 0.92 0.18 1.04 3.32 -1.95 0.62 116.42 121.28 1jxj h ASP 77 Ca 0.12 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 1jxj h ASP 77 Cb 0.59 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1jxj h ASP 77 CO 0.04 0.81 -0.49 -0.33 -1.72 0.00 0.00 179.24 177.54 1jxj h GLU 78 N 0.96 0.36 0.08 3.56 5.08 -1.85 -0.86 114.58 121.93 1jxj h GLU 78 Ca 0.23 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1jxj h GLU 78 Cb 0.15 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1jxj h GLU 78 CO -0.03 0.78 -0.04 0.35 -1.00 0.00 0.00 179.01 179.07 1jxj h PHE 79 N 0.29 -0.10 -0.73 4.33 3.57 -0.35 -1.62 116.94 122.33 1jxj h PHE 79 Ca 0.01 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1jxj h PHE 79 Cb 0.98 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 1jxj h PHE 79 CO 0.03 0.14 0.46 0.00 -2.23 0.00 0.00 178.31 176.71 1jxj h ARG 80 N -0.34 0.89 -0.89 1.11 3.08 -0.83 -1.16 114.38 116.23 1jxj h ARG 80 Ca -0.01 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1jxj h ARG 80 Cb 0.29 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 1jxj h ARG 80 CO 0.02 0.59 0.59 -0.97 -1.07 0.00 0.00 179.97 179.12 1jxj h ASN 81 N 0.91 1.00 -0.18 7.04 -0.73 -0.96 -1.30 115.58 121.35 1jxj h ASN 81 Ca 0.29 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.41 1jxj h ASN 81 Cb -0.01 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.33 1jxj h ASN 81 CO -0.10 0.71 0.02 -0.03 -0.37 0.00 0.00 177.43 177.66 1jxj h MET 82 N 1.17 0.31 -0.57 6.67 4.05 -0.80 -1.00 114.93 124.76 1jxj h MET 82 Ca 0.34 -0.09 -0.03 0.00 -0.28 0.00 0.00 59.70 59.64 1jxj h MET 82 Cb -0.08 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.66 1jxj h MET 82 CO -0.09 0.49 0.25 0.28 0.23 0.00 0.00 176.91 178.07 1jxj h VAL 83 N 0.08 1.22 -0.22 -5.77 2.07 -0.89 -0.89 116.25 111.85 1jxj h VAL 83 Ca 0.05 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1jxj h VAL 83 Cb 0.34 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1jxj h VAL 83 CO 0.01 0.25 0.08 0.74 0.02 0.00 0.00 177.57 178.67 1jxj h THR 84 N 0.78 1.17 -0.39 2.57 2.02 -1.24 -0.46 112.91 117.36 1jxj h THR 84 Ca 0.19 -0.52 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 1jxj h THR 84 Cb 0.16 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1jxj h THR 84 CO -0.02 0.17 -0.16 0.03 0.37 0.00 0.00 175.52 175.91 1jxj h ARG 85 N 0.20 0.73 0.01 6.66 3.08 -1.01 -0.76 114.38 123.28 1jxj h ARG 85 Ca 0.07 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1jxj h ARG 85 Cb 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1jxj h ARG 85 CO -0.01 0.85 -0.01 0.00 -1.07 0.00 0.00 179.97 179.74 1jxj h ASN 87 N -0.47 0.81 0.38 0.00 2.35 -0.87 -0.69 115.58 117.09 1jxj h ASN 87 Ca -0.00 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1jxj h ASN 87 Cb 0.46 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1jxj h ASN 87 CO 0.00 0.54 -0.00 0.78 -1.65 0.00 0.00 177.43 177.10 1jxj h ASN 88 N 0.94 0.00 -0.32 5.81 2.35 -1.02 -0.86 115.58 122.48 1jxj h ASN 88 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1jxj h ASN 88 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1jxj h ASN 88 CO -0.11 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.00 1jxj n VAL 89 N -3.08 1.71 -1.40 2.81 0.24 -0.52 -4.98 118.33 113.10 1jxj n VAL 89 Ca -0.02 -1.46 -0.01 0.00 -2.04 0.00 0.00 64.34 60.81 1jxj n VAL 89 Cb 0.16 0.09 -0.00 0.00 -1.47 0.00 0.00 33.84 32.62 1jxj n VAL 89 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jxj n GLY 90 N 0.02 0.42 3.21 7.63 0.00 -0.33 -4.76 105.19 111.38 1jxj n GLY 90 Ca 0.17 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1jxj n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jxj s VAL 91 N -2.06 2.53 0.51 1.61 1.01 -0.38 -4.45 120.40 119.18 1jxj s VAL 91 Ca 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 1jxj s VAL 91 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1jxj s VAL 91 CO 0.00 0.51 0.85 -0.13 0.00 0.00 0.00 175.10 176.33 1jxj s ARG 92 N 1.13 3.58 -0.08 2.72 1.81 -0.77 -2.72 118.95 124.62 1jxj s ARG 92 Ca 0.01 0.38 0.05 0.00 -1.72 0.00 0.00 55.73 54.45 1jxj s ARG 92 Cb -0.14 -2.29 -0.01 0.00 -0.45 0.00 0.00 34.95 32.06 1jxj s ARG 92 CO -0.06 -0.29 -0.24 0.42 -0.68 0.00 0.00 175.30 174.44 1jxj s ILE 93 N -2.83 2.05 -0.13 1.52 -1.09 -1.26 -0.01 121.20 119.44 1jxj s ILE 93 Ca 0.50 -1.04 0.03 0.00 -2.23 0.00 0.00 60.65 57.91 1jxj s ILE 93 Cb -0.10 -1.75 0.01 0.00 -1.58 0.00 0.00 42.46 39.03 1jxj s ILE 93 CO 0.46 0.56 -0.22 -0.31 -1.23 0.00 0.00 174.94 174.21 1jxj s TYR 94 N 0.09 2.63 -0.09 3.97 2.02 0.10 -0.76 117.35 125.32 1jxj s TYR 94 Ca -0.11 -1.29 -0.14 0.00 -0.37 0.00 0.00 57.07 55.15 1jxj s TYR 94 Cb -0.16 -1.79 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 1jxj s TYR 94 CO 0.06 -0.58 0.36 0.08 -1.57 0.00 0.00 175.55 173.90 1jxj s VAL 95 N 0.75 5.20 -0.66 0.71 1.01 -0.71 -1.08 120.40 125.62 1jxj s VAL 95 Ca -0.09 0.70 -0.27 0.00 0.00 0.00 0.00 61.98 62.33 1jxj s VAL 95 Cb -0.16 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1jxj s VAL 95 CO -0.00 0.47 1.65 -0.62 0.00 0.00 0.00 175.10 176.59 1jxj s ASP 96 N -0.20 5.59 -0.41 3.32 -1.08 -1.14 -0.67 116.67 122.09 1jxj s ASP 96 Ca 0.21 0.04 -0.20 0.00 -0.52 0.00 0.00 52.55 52.08 1jxj s ASP 96 Cb -0.15 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.79 1jxj s ASP 96 CO 0.09 -2.19 0.61 0.00 0.52 0.00 0.00 175.17 174.20 1jxj s ALA 97 N 7.87 3.39 -0.64 3.66 0.00 0.42 -4.15 121.76 132.31 1jxj s ALA 97 Ca 0.56 -1.13 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 1jxj s ALA 97 Cb -0.11 -3.23 0.16 0.00 0.00 0.00 0.00 23.12 19.95 1jxj s ALA 97 CO 0.18 -1.62 0.59 0.08 0.00 0.00 0.00 175.76 174.99 1jxj s VAL 98 N 2.71 5.28 0.00 0.00 1.01 -1.26 -1.64 120.40 126.50 1jxj s VAL 98 Ca 0.22 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.32 1jxj s VAL 98 Cb -0.14 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1jxj s VAL 98 CO 0.17 -0.92 0.20 2.30 0.00 0.00 0.00 175.10 176.85 1jxj n ILE 99 N 4.76 0.00 0.13 2.22 -5.35 -1.26 -4.68 119.36 115.18 1jxj n ILE 99 Ca -0.04 -0.32 -0.01 0.00 -0.27 0.00 0.00 62.75 62.11 1jxj n ILE 99 Cb 0.42 1.23 0.15 0.00 -1.74 0.00 0.00 39.64 39.70 1jxj n ILE 99 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1jxj h ASN 100 N 0.00 0.00 -5.23 7.28 -1.24 -1.87 -3.46 115.58 111.05 1jxj h ASN 100 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 1jxj h ASN 100 Cb 0.11 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 39.06 1jxj h ASN 100 CO 0.00 0.64 -0.18 -1.38 -1.29 0.00 0.00 177.43 175.23 1jxj s HIS 101 N -3.50 0.32 0.00 0.67 -3.43 -1.26 -1.73 115.29 106.35 1jxj s HIS 101 Ca -0.01 -0.67 0.00 0.00 -0.80 0.00 0.00 55.06 53.58 1jxj s HIS 101 Cb 0.12 0.12 0.00 0.00 -1.43 0.00 0.00 32.58 31.39 1jxj s HIS 101 CO 0.76 -0.88 0.00 -1.33 -2.00 0.00 0.00 174.74 171.30 1jxj n MET 102 N -0.32 1.23 -2.39 -0.38 2.81 -0.40 -4.55 117.12 113.13 1jxj n MET 102 Ca -0.05 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.68 1jxj n MET 102 Cb 0.62 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 33.20 1jxj n MET 102 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jxj s GLY 104 N -4.21 2.67 0.51 0.00 0.00 -1.26 -1.22 107.32 103.81 1jxj s GLY 104 Ca 0.49 1.47 0.34 0.00 0.00 0.00 0.00 44.72 47.01 1jxj s GLY 104 CO 0.32 2.26 2.01 3.45 0.00 0.00 0.00 173.10 181.13 1jxj h ASN 105 N 3.83 0.00 -0.61 1.64 -1.07 -1.52 -2.13 115.58 115.72 1jxj h ASN 105 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 1jxj h ASN 105 Cb 1.23 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.48 1jxj h ASN 105 CO 0.70 0.00 0.00 0.00 0.07 0.00 0.00 177.43 178.20 1jxj n ALA 106 N -2.00 2.36 -1.76 4.14 0.00 -1.26 -4.13 120.51 117.85 1jxj n ALA 106 Ca -0.00 -1.21 -0.40 0.00 0.00 0.00 0.00 53.44 51.82 1jxj n ALA 106 Cb 0.21 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 1jxj n ALA 106 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jxj s VAL 107 N -1.09 3.12 0.33 0.00 1.01 -0.80 -4.98 120.40 117.99 1jxj s VAL 107 Ca 0.43 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 63.23 1jxj s VAL 107 Cb 0.23 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 1jxj s VAL 107 CO 0.31 0.24 1.30 -0.44 0.00 0.00 0.00 175.10 176.51 1jxj s SER 108 N -0.76 6.79 0.65 3.32 0.01 -1.26 -4.36 113.70 118.08 1jxj s SER 108 Ca 0.48 2.67 -0.16 0.00 1.31 0.00 0.00 55.95 60.25 1jxj s SER 108 Cb -0.35 -2.65 -0.00 0.00 0.21 0.00 0.00 66.02 63.23 1jxj s SER 108 CO 0.45 -0.52 1.15 0.00 0.41 0.00 0.00 173.24 174.73 1jxj s ALA 109 N -1.11 2.43 0.00 1.44 0.00 -1.26 -4.82 121.76 118.44 1jxj s ALA 109 Ca 0.49 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1jxj s ALA 109 Cb -0.40 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1jxj s ALA 109 CO 0.52 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1jxj n GLY 110 N -0.07 0.43 0.96 0.00 0.00 -0.53 -4.90 105.19 101.08 1jxj n GLY 110 Ca 0.12 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.56 1jxj n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jxj n THR 111 N 9.00 2.39 -2.00 2.61 -2.24 -1.26 -1.33 114.28 121.44 1jxj n THR 111 Ca 0.00 -3.17 -0.42 0.00 -2.27 0.00 0.00 64.05 58.19 1jxj n THR 111 Cb 0.00 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1jxj n THR 111 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1jxj n SER 112 N -1.08 4.23 -4.07 3.42 2.88 -1.26 -4.43 113.62 113.31 1jxj n SER 112 Ca 0.27 -2.88 -0.07 0.00 -1.33 0.00 0.00 58.87 54.86 1jxj n SER 112 Cb 0.84 -1.67 -0.10 0.00 -0.75 0.00 0.00 64.21 62.53 1jxj n SER 112 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jxj s SER 113 N 3.34 0.45 0.09 -3.46 1.04 -1.26 -0.49 113.70 113.41 1jxj s SER 113 Ca 0.48 -0.95 0.20 0.00 0.48 0.00 0.00 55.95 56.16 1jxj s SER 113 Cb 0.11 0.21 0.83 0.00 0.10 0.00 0.00 66.02 67.26 1jxj s SER 113 CO -0.04 -0.60 1.63 0.35 0.98 0.00 0.00 173.24 175.55 1jxj n THR 114 N 0.14 0.77 -0.00 2.02 -2.24 -0.21 -2.09 114.28 112.68 1jxj n THR 114 Ca -0.14 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1jxj n THR 114 Cb 0.61 -0.94 0.01 0.00 -2.10 0.00 0.00 70.33 67.91 1jxj n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jxj n GLY 116 N -0.39 0.59 3.77 0.00 0.00 -0.89 -5.01 105.19 103.26 1jxj n GLY 116 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1jxj n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jxj s SER 117 N -2.21 6.38 0.41 1.61 0.01 -1.26 -4.78 113.70 113.86 1jxj s SER 117 Ca 0.00 2.72 -0.23 0.00 1.31 0.00 0.00 55.95 59.75 1jxj s SER 117 Cb 0.00 -2.64 -0.10 0.00 0.21 0.00 0.00 66.02 63.49 1jxj s SER 117 CO 0.00 -0.81 0.99 -0.47 0.41 0.00 0.00 173.24 173.37 1jxj s TYR 118 N -1.22 3.30 0.09 2.43 5.04 -1.26 -4.40 117.35 121.34 1jxj s TYR 118 Ca 0.55 1.64 -0.20 0.00 -2.44 0.00 0.00 57.07 56.62 1jxj s TYR 118 Cb -0.40 -2.98 0.05 0.00 0.35 0.00 0.00 41.96 38.98 1jxj s TYR 118 CO 0.52 -0.34 0.50 -0.59 -1.34 0.00 0.00 175.55 174.29 1jxj s PHE 119 N -1.89 -0.37 -0.33 4.97 -0.71 -0.44 -4.25 117.98 114.95 1jxj s PHE 119 Ca 0.60 0.26 -0.01 0.00 -1.04 0.00 0.00 56.93 56.74 1jxj s PHE 119 Cb -0.16 0.36 0.13 0.00 -1.21 0.00 0.00 43.02 42.14 1jxj s PHE 119 CO 0.20 -0.70 0.22 1.21 -1.34 0.00 0.00 175.22 174.82 1jxj s ASN 120 N -2.38 2.72 0.16 1.98 3.84 0.50 -1.45 114.94 120.31 1jxj s ASN 120 Ca -0.02 -1.76 -0.16 0.00 0.21 0.00 0.00 52.86 51.14 1jxj s ASN 120 Cb 0.00 -0.16 0.08 0.00 -0.55 0.00 0.00 41.25 40.62 1jxj s ASN 120 CO -0.07 -0.34 1.73 -0.65 -2.79 0.00 0.00 177.10 174.98 1jxj h PRO 121 N 7.47 0.21 -0.88 0.43 0.11 -1.81 -0.49 132.00 137.04 1jxj h PRO 121 Ca -0.02 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.20 1jxj h PRO 121 Cb 1.00 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.00 1jxj h PRO 121 CO 0.30 0.14 0.57 0.78 -0.21 0.00 0.00 178.00 179.58 1jxj h GLY 122 N 0.22 1.23 -2.15 -0.55 0.00 -1.81 0.21 103.07 100.22 1jxj h GLY 122 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1jxj h GLY 122 CO -0.22 0.14 0.00 -1.14 0.00 0.00 0.00 176.54 175.31 1jxj n SER 123 N -4.55 3.24 -2.71 0.19 3.41 -0.99 -4.93 113.62 107.27 1jxj n SER 123 Ca 0.16 -1.96 -0.20 0.00 -0.26 0.00 0.00 58.87 56.61 1jxj n SER 123 Cb 0.40 -0.29 0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1jxj n SER 123 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jxj n ARG 124 N 1.32 -4.20 -3.82 4.33 3.00 0.06 -4.29 116.66 113.06 1jxj n ARG 124 Ca 0.20 0.85 -0.36 0.00 -0.01 0.00 0.00 57.85 58.53 1jxj n ARG 124 Cb 0.56 -5.54 -0.13 0.00 0.00 0.00 0.00 32.46 27.34 1jxj n ARG 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1jxj s ASP 125 N -2.67 4.81 -0.56 0.55 2.15 -0.30 -2.93 116.67 117.72 1jxj s ASP 125 Ca 0.25 -0.55 0.04 0.00 0.43 0.00 0.00 52.55 52.72 1jxj s ASP 125 Cb -0.11 -1.82 0.17 0.00 -0.30 0.00 0.00 42.92 40.85 1jxj s ASP 125 CO 0.31 -0.11 0.41 -0.36 -0.17 0.00 0.00 175.17 175.25 1jxj s PHE 126 N 1.49 2.40 -0.20 -5.34 0.40 -0.74 -0.37 117.98 115.63 1jxj s PHE 126 Ca 0.04 -2.85 0.29 0.00 -0.60 0.00 0.00 56.93 53.81 1jxj s PHE 126 Cb -0.16 -1.88 1.17 0.00 0.51 0.00 0.00 43.02 42.66 1jxj s PHE 126 CO 0.00 -0.68 1.85 -1.00 0.70 0.00 0.00 175.22 176.09 1jxj h PRO 127 N 5.58 0.00 0.00 0.24 0.13 -1.78 -1.05 132.00 135.12 1jxj h PRO 127 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1jxj h PRO 127 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1jxj h PRO 127 CO 0.55 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.32 1jxj n ALA 128 N -1.93 2.03 -0.04 -0.56 0.00 -1.26 -3.83 120.51 114.92 1jxj n ALA 128 Ca 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.37 1jxj n ALA 128 Cb 0.27 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 1jxj n ALA 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jxj h VAL 129 N 0.00 0.00 -2.53 0.00 2.07 -1.51 -3.44 116.25 110.84 1jxj h VAL 129 Ca 0.00 -0.69 -0.51 0.00 0.82 0.00 0.00 66.70 66.32 1jxj h VAL 129 Cb 0.36 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1jxj h VAL 129 CO 0.00 0.00 -0.39 -2.16 0.02 0.00 0.00 177.57 175.04 1jxj s PRO 130 N -1.41 3.46 0.08 1.57 0.04 -1.25 -5.01 135.00 132.49 1jxj s PRO 130 Ca -0.01 -0.56 0.06 0.00 0.04 0.00 0.00 61.00 60.54 1jxj s PRO 130 Cb 0.00 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 1jxj s PRO 130 CO 0.01 0.42 -0.16 0.71 0.04 0.00 0.00 177.00 178.02 1jxj s TYR 131 N -1.91 1.41 0.17 0.56 2.02 -0.66 -4.99 117.35 113.94 1jxj s TYR 131 Ca 0.36 -0.45 0.03 0.00 -0.37 0.00 0.00 57.07 56.64 1jxj s TYR 131 Cb -0.10 -0.78 -0.01 0.00 -0.40 0.00 0.00 41.96 40.66 1jxj s TYR 131 CO 0.30 0.11 0.10 -1.13 -1.57 0.00 0.00 175.55 173.35 1jxj n SER 132 N 1.22 0.30 -0.16 2.29 3.41 -1.25 -1.79 113.62 117.64 1jxj n SER 132 Ca -0.21 -1.99 0.21 0.00 -0.26 0.00 0.00 58.87 56.62 1jxj n SER 132 Cb 0.54 0.63 0.61 0.00 -0.26 0.00 0.00 64.21 65.73 1jxj n SER 132 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1jxj h GLY 133 N 0.85 0.42 2.00 5.00 0.00 -1.72 0.18 103.07 109.81 1jxj h GLY 133 Ca -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1jxj h GLY 133 CO 0.19 0.01 0.00 0.79 0.00 0.00 0.00 176.54 177.53 1jxj n TRP 134 N -4.41 0.23 0.12 5.60 7.02 -1.26 -3.00 117.44 121.73 1jxj n TRP 134 Ca 0.16 0.09 0.12 0.00 -1.02 0.00 0.00 57.50 56.85 1jxj n TRP 134 Cb 0.72 -0.65 0.27 0.00 -2.42 0.00 0.00 31.31 29.22 1jxj n TRP 134 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1jxj n ASP 135 N -1.71 3.51 -4.54 -0.99 8.00 0.65 -4.93 116.55 116.53 1jxj n ASP 135 Ca 0.02 -1.98 -0.25 0.00 0.71 0.00 0.00 54.79 53.29 1jxj n ASP 135 Cb 0.16 -0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.81 1jxj n ASP 135 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jxj s PHE 136 N -1.32 2.40 -1.15 1.24 0.40 -1.16 -0.24 117.98 118.16 1jxj s PHE 136 Ca 0.42 -0.44 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 1jxj s PHE 136 Cb 0.23 -1.29 0.20 0.00 0.51 0.00 0.00 43.02 42.67 1jxj s PHE 136 CO 0.32 0.60 0.92 0.09 0.70 0.00 0.00 175.22 177.85 1jxj n ASN 137 N -0.78 1.90 -0.31 1.36 3.02 0.15 -4.54 115.26 116.07 1jxj n ASN 137 Ca -0.05 -2.17 0.15 0.00 -0.03 0.00 0.00 54.58 52.48 1jxj n ASN 137 Cb 0.62 -0.43 0.40 0.00 -0.61 0.00 0.00 39.78 39.76 1jxj n ASN 137 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1jxj h ASP 138 N 1.07 0.64 1.27 6.41 3.32 -1.87 -1.59 116.42 125.67 1jxj h ASP 138 Ca 0.00 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1jxj h ASP 138 Cb 0.71 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1jxj h ASP 138 CO 0.09 0.24 -0.76 1.23 -1.72 0.00 0.00 179.24 178.33 1jxj h GLY 139 N 0.63 0.00 1.44 2.75 0.00 -1.96 -3.34 103.07 102.59 1jxj h GLY 139 Ca 0.53 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.58 1jxj h GLY 139 CO -0.29 0.00 -1.25 1.70 0.00 0.00 0.00 176.54 176.70 1jxj h LYS 140 N 0.00 0.44 -6.79 4.80 3.64 -1.65 -3.46 116.57 113.56 1jxj h LYS 140 Ca -0.03 -0.66 -0.53 0.00 -1.27 0.00 0.00 60.65 58.16 1jxj h LYS 140 Cb 1.17 0.23 0.07 0.00 -0.41 0.00 0.00 32.23 33.30 1jxj h LYS 140 CO 0.02 1.29 0.82 0.00 -2.27 0.00 0.00 179.45 179.31 1jxj n LYS 142 N 2.09 1.80 -2.38 0.00 4.76 -1.26 -4.99 118.16 118.17 1jxj n LYS 142 Ca 0.07 -1.75 -0.31 0.00 -2.87 0.00 0.00 58.31 53.45 1jxj n LYS 142 Cb 0.39 -1.32 -0.02 0.00 -1.84 0.00 0.00 35.03 32.24 1jxj n LYS 142 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1jxj s THR 143 N -1.16 4.65 0.31 -0.18 -4.23 -1.26 -4.96 115.64 108.81 1jxj s THR 143 Ca 0.23 0.94 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 1jxj s THR 143 Cb 0.14 -3.77 0.20 0.00 1.34 0.00 0.00 72.50 70.42 1jxj s THR 143 CO 0.20 -0.78 1.91 1.23 -0.54 0.00 0.00 174.62 176.64 1jxj h GLY 144 N 0.64 0.91 1.62 3.99 0.00 -1.95 -2.90 103.07 105.38 1jxj h GLY 144 Ca -0.46 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.43 1jxj h GLY 144 CO 0.62 0.42 -0.32 1.48 0.00 0.00 0.00 176.54 178.74 1jxj h SER 145 N 0.84 0.00 0.00 0.19 4.64 -2.01 -3.47 113.55 113.75 1jxj h SER 145 Ca 0.21 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1jxj h SER 145 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1jxj h SER 145 CO -0.02 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1jxj n GLY 146 N 1.25 2.60 3.99 -0.77 0.00 -1.10 -5.02 105.19 106.15 1jxj n GLY 146 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1jxj n GLY 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jxj s ASP 147 N -2.96 5.51 -0.03 1.61 1.01 -1.26 -1.62 116.67 118.92 1jxj s ASP 147 Ca 0.00 -0.52 -0.30 0.00 0.71 0.00 0.00 52.55 52.44 1jxj s ASP 147 Cb 0.00 -0.54 -0.04 0.00 1.01 0.00 0.00 42.92 43.35 1jxj s ASP 147 CO 0.00 -0.81 1.21 -0.63 0.21 0.00 0.00 175.17 175.16 1jxj s ILE 148 N -2.40 4.19 -0.01 0.77 1.01 0.00 -4.58 121.20 120.18 1jxj s ILE 148 Ca 0.54 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.74 1jxj s ILE 148 Cb -0.09 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 1jxj s ILE 148 CO 0.33 0.02 0.01 -0.62 0.00 0.00 0.00 174.94 174.68 1jxj n GLU 149 N 4.99 2.18 -3.62 2.79 1.02 -1.26 -4.80 120.64 121.94 1jxj n GLU 149 Ca 0.11 -0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.98 1jxj n GLU 149 Cb 0.46 -1.03 -0.17 0.00 -0.02 0.00 0.00 31.44 30.68 1jxj n GLU 149 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1jxj s ASN 150 N -2.70 2.38 0.00 1.62 2.47 -1.26 -5.00 114.94 112.45 1jxj s ASN 150 Ca -0.00 -0.62 0.22 0.00 0.42 0.00 0.00 52.86 52.87 1jxj s ASN 150 Cb 0.01 -0.28 1.19 0.00 -1.45 0.00 0.00 41.25 40.72 1jxj s ASN 150 CO 0.05 -0.34 1.71 -1.22 -3.72 0.00 0.00 177.10 173.57 1jxj n TYR 151 N 5.26 0.00 1.12 0.43 4.02 -1.26 -2.06 117.16 124.67 1jxj n TYR 151 Ca -0.07 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.96 1jxj n TYR 151 Cb 0.49 -0.17 0.59 0.00 -0.02 0.00 0.00 39.34 40.23 1jxj n TYR 151 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1jxj n ASN 152 N -1.17 0.11 -4.09 7.72 3.02 -1.26 -4.48 115.26 115.11 1jxj n ASN 152 Ca 0.13 0.18 -0.35 0.00 -0.03 0.00 0.00 54.58 54.50 1jxj n ASN 152 Cb 0.13 -0.32 -0.11 0.00 -0.61 0.00 0.00 39.78 38.87 1jxj n ASN 152 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jxj s ASP 153 N -2.87 5.16 0.47 6.41 2.15 -0.87 -4.81 116.67 122.30 1jxj s ASP 153 Ca 0.18 -2.34 0.19 0.00 0.43 0.00 0.00 52.55 51.01 1jxj s ASP 153 Cb 0.19 -1.81 1.18 0.00 -0.30 0.00 0.00 42.92 42.18 1jxj s ASP 153 CO 0.54 -0.46 1.96 0.00 -0.17 0.00 0.00 175.17 177.04 1jxj h ALA 154 N 7.63 2.24 -0.35 3.66 0.00 -1.85 -2.02 119.26 128.57 1jxj h ALA 154 Ca -0.09 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1jxj h ALA 154 Cb 1.01 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1jxj h ALA 154 CO 0.69 -0.41 -0.39 1.79 0.00 0.00 0.00 179.25 180.93 1jxj h THR 155 N 0.26 1.28 -0.25 0.00 1.35 -1.95 -2.46 112.91 111.14 1jxj h THR 155 Ca 0.30 -1.57 -0.11 0.00 -0.55 0.00 0.00 66.41 64.49 1jxj h THR 155 Cb 0.84 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1jxj h THR 155 CO -0.07 0.52 -0.31 0.06 -0.25 0.00 0.00 175.52 175.47 1jxj h GLN 156 N 0.69 0.51 -0.38 4.72 3.07 -1.73 0.31 115.11 122.31 1jxj h GLN 156 Ca 0.05 -0.22 0.11 0.00 0.09 0.00 0.00 58.65 58.68 1jxj h GLN 156 Cb 0.99 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.51 1jxj h GLN 156 CO 0.10 0.77 0.28 0.28 0.09 0.00 0.00 178.83 180.34 1jxj h VAL 157 N 0.44 0.81 0.06 1.86 2.07 -1.29 0.13 116.25 120.33 1jxj h VAL 157 Ca 0.05 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.22 1jxj h VAL 157 Cb 0.77 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1jxj h VAL 157 CO 0.06 0.00 -2.04 0.54 0.02 0.00 0.00 177.57 176.15 1jxj n ARG 158 N -4.42 0.70 0.00 1.57 3.00 -0.36 -4.46 116.66 112.70 1jxj n ARG 158 Ca 0.06 0.23 0.11 0.00 -0.01 0.00 0.00 57.85 58.24 1jxj n ARG 158 Cb 0.46 -1.68 0.01 0.00 0.00 0.00 0.00 32.46 31.25 1jxj n ARG 158 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1jxj n ASP 159 N -3.27 1.77 -4.82 0.55 8.00 0.96 -4.67 116.55 115.07 1jxj n ASP 159 Ca -0.31 -1.37 -0.22 0.00 0.71 0.00 0.00 54.79 53.60 1jxj n ASP 159 Cb 1.05 0.53 -0.05 0.00 -0.02 0.00 0.00 41.12 42.64 1jxj n ASP 159 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jxj s ARG 161 N -4.04 4.20 -0.28 0.00 0.52 -0.64 -4.65 118.95 114.07 1jxj s ARG 161 Ca 0.45 1.13 -0.28 0.00 -0.52 0.00 0.00 55.73 56.51 1jxj s ARG 161 Cb -0.01 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 1jxj s ARG 161 CO 0.26 -0.61 1.91 -1.17 0.02 0.00 0.00 175.30 175.72 1jxj s LEU 162 N 3.07 3.54 -1.58 2.53 2.96 -1.26 -0.82 118.68 127.13 1jxj s LEU 162 Ca 0.40 1.54 -0.17 0.00 -0.22 0.00 0.00 54.13 55.68 1jxj s LEU 162 Cb -0.15 -3.52 0.15 0.00 0.50 0.00 0.00 46.19 43.17 1jxj s LEU 162 CO 0.07 -1.73 0.67 -1.20 -1.32 0.00 0.00 176.35 172.85 1jxj n SER 163 N 10.47 -3.04 0.00 3.68 7.64 -1.26 -1.02 113.62 130.09 1jxj n SER 163 Ca 0.25 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1jxj n SER 163 Cb 0.46 -2.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.14 1jxj n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jxj n GLY 164 N -1.24 1.18 3.68 0.23 0.00 -1.21 -4.90 105.19 102.92 1jxj n GLY 164 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1jxj n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jxj s LEU 165 N 0.00 4.37 0.03 0.99 1.43 -0.19 -1.24 118.68 124.07 1jxj s LEU 165 Ca 0.00 2.49 -0.34 0.00 -1.03 0.00 0.00 54.13 55.25 1jxj s LEU 165 Cb 0.00 -3.55 -0.12 0.00 0.03 0.00 0.00 46.19 42.55 1jxj s LEU 165 CO 0.00 -0.94 1.77 0.18 0.23 0.00 0.00 176.35 177.59 1jxj n LEU 166 N 6.29 3.38 -4.52 1.79 4.77 -0.36 -3.98 117.00 124.37 1jxj n LEU 166 Ca 0.17 1.01 -0.41 0.00 -0.03 0.00 0.00 56.01 56.75 1jxj n LEU 166 Cb 0.41 -1.41 -0.09 0.00 -2.33 0.00 0.00 43.42 39.99 1jxj n LEU 166 CO 0.64 -0.12 0.01 -0.62 -1.33 0.00 0.00 177.39 175.97 1jxj s ASP 167 N 2.77 6.16 0.50 -1.43 2.15 -1.26 -1.27 116.67 124.29 1jxj s ASP 167 Ca 0.86 -0.43 -0.22 0.00 0.43 0.00 0.00 52.55 53.19 1jxj s ASP 167 Cb -0.66 -2.19 -0.06 0.00 -0.30 0.00 0.00 42.92 39.71 1jxj s ASP 167 CO 0.45 -0.39 1.27 -0.76 -0.17 0.00 0.00 175.17 175.57 1jxj s LEU 168 N 1.96 3.93 -1.23 -1.34 1.43 -0.71 0.33 118.68 123.06 1jxj s LEU 168 Ca 0.10 2.55 -0.13 0.00 -1.03 0.00 0.00 54.13 55.62 1jxj s LEU 168 Cb -0.17 -4.25 0.17 0.00 0.03 0.00 0.00 46.19 41.96 1jxj s LEU 168 CO 0.12 -1.25 1.51 0.00 0.23 0.00 0.00 176.35 176.95 1jxj n ALA 169 N -0.76 4.06 0.60 4.21 0.00 0.67 -4.51 120.51 124.78 1jxj n ALA 169 Ca 0.09 -4.24 0.06 0.00 0.00 0.00 0.00 53.44 49.35 1jxj n ALA 169 Cb 0.46 -3.07 0.31 0.00 0.00 0.00 0.00 19.45 17.15 1jxj n ALA 169 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jxj n LEU 170 N 5.53 0.00 0.08 0.00 4.77 -1.26 -1.89 117.00 124.23 1jxj n LEU 170 Ca 0.38 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 1jxj n LEU 170 Cb 0.42 -0.22 0.43 0.00 -2.33 0.00 0.00 43.42 41.72 1jxj n LEU 170 CO 0.66 -0.13 0.86 0.61 -1.33 0.00 0.00 177.39 178.05 1jxj n GLY 171 N -0.28 -1.64 3.81 -0.72 0.00 -1.26 -4.63 105.19 100.47 1jxj n GLY 171 Ca 0.06 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1jxj n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jxj s LYS 172 N -3.08 3.99 0.37 1.61 1.02 -0.80 -4.99 119.74 117.86 1jxj s LYS 172 Ca 0.11 0.35 0.06 0.00 0.02 0.00 0.00 55.97 56.51 1jxj s LYS 172 Cb 0.14 -3.27 0.72 0.00 -0.52 0.00 0.00 37.83 34.90 1jxj s LYS 172 CO 0.59 0.57 1.95 0.22 -0.92 0.00 0.00 175.35 177.76 1jxj h ASP 173 N 5.23 0.45 -0.41 2.83 3.58 -1.88 0.35 116.42 126.57 1jxj h ASP 173 Ca -0.49 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 56.86 1jxj h ASP 173 Cb 1.21 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 1jxj h ASP 173 CO 0.65 0.45 0.11 0.22 -2.88 0.00 0.00 179.24 177.79 1jxj h TYR 174 N 0.49 0.69 -0.18 0.28 3.20 -1.94 0.31 116.97 119.82 1jxj h TYR 174 Ca 0.12 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1jxj h TYR 174 Cb 0.18 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1jxj h TYR 174 CO 0.01 0.65 -0.03 0.28 -1.64 0.00 0.00 178.16 177.43 1jxj h VAL 175 N 0.53 1.28 -0.99 1.81 2.07 -1.70 -1.30 116.25 117.95 1jxj h VAL 175 Ca 0.13 -0.97 0.15 0.00 0.82 0.00 0.00 66.70 66.83 1jxj h VAL 175 Cb 0.30 1.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.55 1jxj h VAL 175 CO 0.00 0.29 0.60 0.03 0.02 0.00 0.00 177.57 178.51 1jxj h ARG 176 N 0.05 0.84 -0.39 1.57 3.08 -0.72 -2.17 114.38 116.64 1jxj h ARG 176 Ca 0.05 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1jxj h ARG 176 Cb 0.46 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1jxj h ARG 176 CO 0.02 0.56 -0.18 0.77 -1.07 0.00 0.00 179.97 180.06 1jxj h SER 177 N 0.86 0.84 -0.75 7.04 0.02 -0.02 -1.31 113.55 120.23 1jxj h SER 177 Ca 0.53 -0.40 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1jxj h SER 177 Cb 0.67 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1jxj h SER 177 CO -0.32 1.05 0.25 0.11 -1.14 0.00 0.00 176.83 176.78 1jxj h LYS 178 N 0.62 1.16 -0.39 3.45 1.79 -0.68 0.85 116.57 123.37 1jxj h LYS 178 Ca 0.09 -0.24 -0.12 0.00 -2.18 0.00 0.00 60.65 58.20 1jxj h LYS 178 Cb 0.73 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1jxj h LYS 178 CO 0.06 0.97 -0.24 0.82 -1.08 0.00 0.00 179.45 179.97 1jxj h ILE 179 N 1.11 1.28 -0.80 1.86 2.04 -1.33 -2.13 117.51 119.54 1jxj h ILE 179 Ca 0.25 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 1jxj h ILE 179 Cb 0.28 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1jxj h ILE 179 CO -0.01 0.47 0.41 0.00 0.00 0.00 0.00 178.15 179.01 1jxj h ALA 180 N 0.79 1.02 -0.34 1.87 0.00 -1.08 -0.44 119.26 121.08 1jxj h ALA 180 Ca 0.08 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1jxj h ALA 180 Cb 0.81 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1jxj h ALA 180 CO 0.07 0.56 0.05 1.49 0.00 0.00 0.00 179.25 181.42 1jxj h GLU 181 N 1.11 0.16 -0.47 0.00 4.81 -0.61 0.30 114.58 119.89 1jxj h GLU 181 Ca 0.28 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1jxj h GLU 181 Cb 0.08 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1jxj h GLU 181 CO -0.04 0.10 0.24 -0.92 -0.73 0.00 0.00 179.01 177.67 1jxj h TYR 182 N 0.16 0.65 -0.22 0.92 3.20 -0.99 -2.48 116.97 118.21 1jxj h TYR 182 Ca 0.16 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 1jxj h TYR 182 Cb 0.20 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1jxj h TYR 182 CO -0.20 0.50 -0.27 0.52 -1.64 0.00 0.00 178.16 177.07 1jxj h MET 183 N 0.61 0.43 -0.33 1.82 2.86 -0.37 -2.27 114.93 117.69 1jxj h MET 183 Ca 0.16 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1jxj h MET 183 Cb 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1jxj h MET 183 CO -0.02 0.67 -0.24 -0.91 1.06 0.00 0.00 176.91 177.46 1jxj h ASN 184 N 0.38 0.66 -0.10 1.22 2.35 -0.36 0.18 115.58 119.91 1jxj h ASN 184 Ca 0.05 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 1jxj h ASN 184 Cb 0.68 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1jxj h ASN 184 CO 0.05 0.89 -0.01 -0.74 -1.65 0.00 0.00 177.43 175.97 1jxj h HIS 185 N 0.57 -0.02 -0.10 1.19 2.76 -1.09 0.14 115.15 118.60 1jxj h HIS 185 Ca 0.08 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1jxj h HIS 185 Cb 0.72 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.70 1jxj h HIS 185 CO 0.03 -0.02 0.05 -0.07 -1.30 0.00 0.00 177.93 176.62 1jxj h LEU 186 N 0.02 0.12 -0.18 0.26 3.38 -1.16 -1.90 115.31 115.85 1jxj h LEU 186 Ca 0.05 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1jxj h LEU 186 Cb 0.06 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1jxj h LEU 186 CO -0.09 0.19 -0.14 0.40 0.09 0.00 0.00 178.44 178.89 1jxj h ILE 187 N 0.05 0.60 0.00 1.22 2.04 -0.34 -2.36 117.51 118.72 1jxj h ILE 187 Ca 0.03 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 1jxj h ILE 187 Cb 0.09 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1jxj h ILE 187 CO -0.00 0.00 -0.24 0.44 0.00 0.00 0.00 178.15 178.35 1jxj h ASP 188 N -0.15 0.00 0.02 1.72 3.32 -0.52 0.87 116.42 121.67 1jxj h ASP 188 Ca 0.11 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1jxj h ASP 188 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1jxj h ASP 188 CO -0.27 0.24 -0.17 0.40 -1.72 0.00 0.00 179.24 177.72 1jxj h ILE 189 N 0.00 1.21 0.00 0.35 2.04 -1.02 -3.46 117.51 116.63 1jxj h ILE 189 Ca -0.00 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1jxj h ILE 189 Cb 0.48 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1jxj h ILE 189 CO 0.03 0.29 0.00 0.61 0.00 0.00 0.00 178.15 179.08 1jxj n GLY 190 N -0.73 -0.65 3.76 5.37 0.00 0.29 -4.64 105.19 108.60 1jxj n GLY 190 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1jxj n GLY 190 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jxj s VAL 191 N -0.30 2.39 -0.90 1.61 1.01 -0.93 -4.76 120.40 118.52 1jxj s VAL 191 Ca 0.00 0.33 0.22 0.00 0.00 0.00 0.00 61.98 62.53 1jxj s VAL 191 Cb 0.00 -3.19 -0.16 0.00 0.00 0.00 0.00 36.38 33.03 1jxj s VAL 191 CO 0.00 0.03 1.03 0.00 0.00 0.00 0.00 175.10 176.16 1jxj n ALA 192 N -0.24 4.19 0.00 5.51 0.00 0.06 -4.69 120.51 125.34 1jxj n ALA 192 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1jxj n ALA 192 Cb 0.44 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1jxj n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxj n GLY 193 N 1.47 -1.55 3.03 0.00 0.00 -1.24 -1.07 105.19 105.83 1jxj n GLY 193 Ca 0.04 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 1jxj n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jxj s PHE 194 N -2.79 -0.03 -0.31 1.61 0.08 0.64 -1.74 117.98 115.43 1jxj s PHE 194 Ca 0.00 0.07 -0.19 0.00 0.12 0.00 0.00 56.93 56.93 1jxj s PHE 194 Cb 0.00 -0.01 -0.01 0.00 -0.57 0.00 0.00 43.02 42.43 1jxj s PHE 194 CO 0.00 -0.15 0.57 0.50 -0.10 0.00 0.00 175.22 176.03 1jxj s ARG 195 N -0.61 3.84 -0.53 0.44 3.52 0.16 -1.62 118.95 124.15 1jxj s ARG 195 Ca -0.07 0.15 -0.21 0.00 -0.13 0.00 0.00 55.73 55.47 1jxj s ARG 195 Cb -0.04 -3.74 0.05 0.00 -1.56 0.00 0.00 34.95 29.66 1jxj s ARG 195 CO 0.01 -0.55 0.75 0.42 -0.81 0.00 0.00 175.30 175.11 1jxj s ILE 196 N 2.49 4.69 0.37 4.11 -1.09 0.38 -0.44 121.20 131.71 1jxj s ILE 196 Ca 0.22 -0.24 -0.27 0.00 -2.23 0.00 0.00 60.65 58.13 1jxj s ILE 196 Cb -0.15 -4.40 -0.10 0.00 -1.58 0.00 0.00 42.46 36.23 1jxj s ILE 196 CO 0.12 -0.94 1.33 -0.62 -1.23 0.00 0.00 174.94 173.60 1jxj s ASP 197 N 2.80 6.51 -1.47 3.58 2.15 -0.65 -1.01 116.67 128.59 1jxj s ASP 197 Ca 0.20 2.72 -0.11 0.00 0.43 0.00 0.00 52.55 55.80 1jxj s ASP 197 Cb -0.17 -2.65 0.05 0.00 -0.30 0.00 0.00 42.92 39.85 1jxj s ASP 197 CO 0.14 -0.72 0.93 0.00 -0.17 0.00 0.00 175.17 175.36 1jxj n ALA 198 N 0.46 -1.22 0.06 3.66 0.00 -1.26 -4.60 120.51 117.61 1jxj n ALA 198 Ca 0.02 0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.77 1jxj n ALA 198 Cb 0.42 -4.53 0.49 0.00 0.00 0.00 0.00 19.45 15.83 1jxj n ALA 198 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1jxj h SER 199 N -2.04 0.34 -0.49 0.00 0.02 -1.25 -0.97 113.55 109.16 1jxj h SER 199 Ca -0.55 -0.01 0.13 0.00 -0.84 0.00 0.00 61.79 60.51 1jxj h SER 199 Cb 1.36 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 1jxj h SER 199 CO 0.61 0.25 0.35 0.50 -1.14 0.00 0.00 176.83 177.39 1jxj h LYS 200 N 0.40 0.09 -0.10 3.45 3.64 -1.89 -1.97 116.57 120.19 1jxj h LYS 200 Ca 0.12 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1jxj h LYS 200 Cb -0.01 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1jxj h LYS 200 CO -0.03 0.06 0.00 0.72 -2.27 0.00 0.00 179.45 177.93 1jxj n HIS 201 N -4.42 0.14 -4.34 1.91 8.25 -0.37 -4.66 115.22 111.72 1jxj n HIS 201 Ca 0.08 -0.07 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 1jxj n HIS 201 Cb 0.50 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.48 1jxj n HIS 201 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1jxj s MET 202 N -1.86 0.95 0.16 -0.41 -1.94 -0.74 -4.38 119.30 111.07 1jxj s MET 202 Ca 0.16 -0.80 -0.31 0.00 -1.71 0.00 0.00 55.69 53.03 1jxj s MET 202 Cb 0.08 -0.96 -0.09 0.00 2.01 0.00 0.00 34.83 35.87 1jxj s MET 202 CO 0.12 0.24 1.43 -1.58 -0.01 0.00 0.00 175.02 175.22 1jxj s TRP 203 N -0.91 3.17 0.37 -0.03 0.52 -1.26 -4.89 118.94 115.91 1jxj s TRP 203 Ca 0.01 0.92 0.14 0.00 0.02 0.00 0.00 56.10 57.20 1jxj s TRP 203 Cb -0.08 -3.75 0.99 0.00 -1.15 0.00 0.00 33.47 29.48 1jxj s TRP 203 CO 0.01 -2.60 1.78 -1.35 0.02 0.00 0.00 176.95 174.82 1jxj h PRO 204 N 6.35 0.49 -0.58 4.98 0.11 -1.89 0.24 132.00 141.70 1jxj h PRO 204 Ca -0.43 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1jxj h PRO 204 Cb 1.21 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1jxj h PRO 204 CO 0.85 0.32 0.18 0.78 -0.21 0.00 0.00 178.00 179.93 1jxj h GLY 205 N 0.50 0.92 1.01 -0.55 0.00 -1.92 0.42 103.07 103.45 1jxj h GLY 205 Ca 0.57 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 1jxj h GLY 205 CO -0.31 0.47 -0.32 -0.55 0.00 0.00 0.00 176.54 175.84 1jxj h ASP 206 N 0.84 0.81 -0.13 0.19 3.32 -0.89 -1.64 116.42 118.92 1jxj h ASP 206 Ca 0.19 -0.47 0.03 0.00 0.02 0.00 0.00 57.03 56.80 1jxj h ASP 206 Cb 0.24 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1jxj h ASP 206 CO -0.01 1.12 -0.09 0.40 -1.72 0.00 0.00 179.24 178.93 1jxj h ILE 207 N 0.51 0.72 -0.54 0.35 2.04 -1.18 -1.77 117.51 117.65 1jxj h ILE 207 Ca 0.05 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.01 1jxj h ILE 207 Cb 0.89 0.72 -0.10 0.00 -0.74 0.00 0.00 36.82 37.59 1jxj h ILE 207 CO 0.08 0.00 -0.14 0.50 0.00 0.00 0.00 178.15 178.59 1jxj h LYS 208 N -0.10 -0.00 -0.19 2.37 3.64 -0.71 0.98 116.57 122.55 1jxj h LYS 208 Ca 0.08 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1jxj h LYS 208 Cb 0.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1jxj h LYS 208 CO -0.19 -0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 176.97 1jxj h ALA 209 N 1.53 1.61 -0.14 5.00 0.00 -0.85 0.17 119.26 126.58 1jxj h ALA 209 Ca 0.26 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1jxj h ALA 209 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1jxj h ALA 209 CO -0.55 0.29 -0.27 0.82 0.00 0.00 0.00 179.25 179.54 1jxj h ILE 210 N 0.28 1.37 -0.04 0.00 2.04 -0.25 -3.12 117.51 117.78 1jxj h ILE 210 Ca 0.06 -1.53 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 1jxj h ILE 210 Cb 0.23 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1jxj h ILE 210 CO 0.01 0.45 -0.22 -0.07 0.00 0.00 0.00 178.15 178.32 1jxj h LEU 211 N 0.03 0.06 -2.41 1.44 3.38 0.51 -2.33 115.31 115.99 1jxj h LEU 211 Ca 0.01 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1jxj h LEU 211 Cb 0.86 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1jxj h LEU 211 CO 0.06 0.29 0.06 0.44 0.09 0.00 0.00 178.44 179.38 1jxj h ASP 212 N 0.06 0.00 0.00 -0.43 3.32 -0.66 -1.39 116.42 117.32 1jxj h ASP 212 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1jxj h ASP 212 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1jxj h ASP 212 CO 0.03 0.00 -0.01 0.29 -1.72 0.00 0.00 179.24 177.83 1jxj n LYS 213 N -3.81 1.53 -2.84 3.56 5.02 -0.88 -4.95 118.16 115.80 1jxj n LYS 213 Ca -0.02 -0.81 -0.37 0.00 -2.02 0.00 0.00 58.31 55.10 1jxj n LYS 213 Cb 0.15 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1jxj n LYS 213 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jxj s LEU 214 N -2.03 4.35 1.01 -0.35 1.43 -0.53 -4.99 118.68 117.57 1jxj s LEU 214 Ca 0.39 1.76 -0.12 0.00 -1.03 0.00 0.00 54.13 55.13 1jxj s LEU 214 Cb 0.21 -3.92 0.19 0.00 0.03 0.00 0.00 46.19 42.70 1jxj s LEU 214 CO 0.35 -0.04 1.08 -1.00 0.23 0.00 0.00 176.35 176.97 1jxj s HIS 215 N -1.59 1.87 0.67 0.29 3.76 -1.26 -5.04 115.29 113.99 1jxj s HIS 215 Ca 0.49 1.25 -0.11 0.00 -0.15 0.00 0.00 55.06 56.54 1jxj s HIS 215 Cb -0.18 -3.18 -0.00 0.00 1.11 0.00 0.00 32.58 30.32 1jxj s HIS 215 CO 0.23 -3.03 1.05 -0.80 -0.85 0.00 0.00 174.74 171.35 1jxj s ASN 216 N -3.04 5.57 0.79 1.40 0.02 -1.26 -4.73 114.94 113.70 1jxj s ASN 216 Ca 0.66 1.59 -0.14 0.00 -1.02 0.00 0.00 52.86 53.94 1jxj s ASN 216 Cb -0.21 -2.49 0.07 0.00 0.02 0.00 0.00 41.25 38.63 1jxj s ASN 216 CO 0.60 -1.31 1.17 0.18 0.02 0.00 0.00 177.10 177.76 1jxj n LEU 217 N -3.00 4.39 -4.59 0.60 4.77 -0.28 -4.83 117.00 114.06 1jxj n LEU 217 Ca 0.07 0.61 -0.51 0.00 -0.03 0.00 0.00 56.01 56.15 1jxj n LEU 217 Cb 0.54 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.07 1jxj n LEU 217 CO 0.56 -1.70 1.60 -3.20 -1.33 0.00 0.00 177.39 173.31 1jxj n ASN 218 N -2.94 2.68 0.00 -1.43 2.85 -1.26 -4.81 115.26 110.35 1jxj n ASN 218 Ca 0.14 0.73 0.09 0.00 -0.11 0.00 0.00 54.58 55.43 1jxj n ASN 218 Cb 0.50 -1.28 0.54 0.00 1.24 0.00 0.00 39.78 40.78 1jxj n ASN 218 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1jxj n SER 219 N 7.91 0.00 0.06 1.20 3.41 -1.26 -1.04 113.62 123.90 1jxj n SER 219 Ca 0.31 -0.57 -0.05 0.00 -0.26 0.00 0.00 58.87 58.31 1jxj n SER 219 Cb 0.24 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.10 1jxj n SER 219 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1jxj h ASN 220 N 0.00 0.00 0.00 4.04 2.35 -1.99 -3.39 115.58 116.59 1jxj h ASN 220 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1jxj h ASN 220 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1jxj h ASN 220 CO 0.00 0.86 -1.51 0.79 -1.65 0.00 0.00 177.43 175.92 1jxj n TRP 221 N -3.24 0.00 -4.68 1.19 8.01 -0.21 -5.02 117.44 113.49 1jxj n TRP 221 Ca -0.03 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.88 1jxj n TRP 221 Cb 0.90 -0.30 -0.14 0.00 -2.01 0.00 0.00 31.31 29.76 1jxj n TRP 221 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 1jxj s PHE 222 N -2.50 2.21 0.96 -5.99 0.40 -0.46 -5.08 117.98 107.50 1jxj s PHE 222 Ca -0.04 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 55.79 1jxj s PHE 222 Cb 0.05 -1.28 0.17 0.00 0.51 0.00 0.00 43.02 42.47 1jxj s PHE 222 CO 0.39 0.19 1.13 -2.14 0.70 0.00 0.00 175.22 175.49 1jxj s PRO 223 N -1.52 0.66 0.40 0.24 0.02 -1.26 -4.30 135.00 129.25 1jxj s PRO 223 Ca 0.11 1.45 -0.27 0.00 0.02 0.00 0.00 61.00 62.31 1jxj s PRO 223 Cb -0.10 -1.69 -0.10 0.00 0.02 0.00 0.00 34.50 32.63 1jxj s PRO 223 CO 0.03 -2.84 1.44 -2.00 -0.33 0.00 0.00 177.00 173.30 1jxj s GLU 224 N -4.61 3.99 0.00 5.54 2.56 -1.26 -2.25 118.70 122.66 1jxj s GLU 224 Ca 0.67 2.46 0.00 0.00 0.00 0.00 0.00 54.97 58.10 1jxj s GLU 224 Cb -0.23 -2.86 0.00 0.00 2.00 0.00 0.00 34.13 33.03 1jxj s GLU 224 CO 0.59 -0.59 0.00 0.41 -0.56 0.00 0.00 175.26 175.11 1jxj n GLY 225 N 0.54 1.05 3.72 -1.50 0.00 -1.26 -5.01 105.19 102.73 1jxj n GLY 225 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1jxj n GLY 225 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jxj s SER 226 N -3.05 6.54 0.08 1.61 0.01 -0.96 -4.95 113.70 112.98 1jxj s SER 226 Ca 0.00 2.69 0.04 0.00 1.31 0.00 0.00 55.95 59.99 1jxj s SER 226 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1jxj s SER 226 CO 0.00 -0.85 0.01 -0.54 0.41 0.00 0.00 173.24 172.27 1jxj s LYS 227 N 0.94 2.61 0.26 12.44 1.02 -1.26 -1.13 119.74 134.62 1jxj s LYS 227 Ca 0.70 -0.80 -0.31 0.00 0.02 0.00 0.00 55.97 55.58 1jxj s LYS 227 Cb -0.45 -2.58 -0.13 0.00 -0.52 0.00 0.00 37.83 34.16 1jxj s LYS 227 CO 0.33 0.55 1.49 -2.30 -0.92 0.00 0.00 175.35 174.50 1jxj n PRO 228 N 0.64 2.30 -2.04 -1.68 -0.02 -1.26 -4.89 135.00 128.05 1jxj n PRO 228 Ca -0.11 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 1jxj n PRO 228 Cb 0.52 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1jxj n PRO 228 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1jxj s PHE 229 N -0.02 3.11 -0.12 6.00 5.36 -0.24 -4.69 117.98 127.38 1jxj s PHE 229 Ca 0.67 0.89 0.02 0.00 -0.96 0.00 0.00 56.93 57.55 1jxj s PHE 229 Cb -0.59 -3.80 0.01 0.00 -0.34 0.00 0.00 43.02 38.30 1jxj s PHE 229 CO 0.49 -2.79 -0.18 0.42 -1.46 0.00 0.00 175.22 171.70 1jxj s ILE 230 N 0.65 1.73 -0.09 3.12 -1.09 -1.26 -0.26 121.20 124.00 1jxj s ILE 230 Ca 0.64 -0.78 0.01 0.00 -2.23 0.00 0.00 60.65 58.28 1jxj s ILE 230 Cb -0.41 -1.55 0.02 0.00 -1.58 0.00 0.00 42.46 38.94 1jxj s ILE 230 CO 0.36 0.49 -0.09 -0.72 -1.23 0.00 0.00 174.94 173.74 1jxj s TYR 231 N 0.89 1.36 -0.18 3.97 1.13 -0.64 0.39 117.35 124.26 1jxj s TYR 231 Ca -0.07 -0.58 -0.09 0.00 -1.41 0.00 0.00 57.07 54.92 1jxj s TYR 231 Cb -0.15 -1.09 -0.05 0.00 -1.10 0.00 0.00 41.96 39.57 1jxj s TYR 231 CO -0.01 -0.38 0.12 -0.65 -2.51 0.00 0.00 175.55 172.12 1jxj s GLN 232 N 1.23 3.97 -0.60 -3.49 -0.21 -0.01 -0.47 119.66 120.08 1jxj s GLN 232 Ca -0.04 -0.22 -0.27 0.00 0.02 0.00 0.00 55.36 54.85 1jxj s GLN 232 Cb -0.14 -3.33 0.03 0.00 1.00 0.00 0.00 33.01 30.58 1jxj s GLN 232 CO -0.03 0.41 1.13 -2.00 -2.12 0.00 0.00 175.29 172.68 1jxj s GLU 233 N 0.03 3.41 -0.08 2.91 2.12 -0.18 -0.88 118.70 126.03 1jxj s GLU 233 Ca 0.09 0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.43 1jxj s GLU 233 Cb -0.11 -4.05 0.03 0.00 0.26 0.00 0.00 34.13 30.25 1jxj s GLU 233 CO -0.00 -1.69 -0.02 0.08 -0.54 0.00 0.00 175.26 173.08 1jxj s VAL 234 N 4.76 0.53 -0.46 3.70 1.01 -1.26 -1.28 120.40 127.40 1jxj s VAL 234 Ca 0.38 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.17 1jxj s VAL 234 Cb -0.09 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.67 1jxj s VAL 234 CO 0.22 0.28 0.69 -0.63 0.00 0.00 0.00 175.10 175.66 1jxj s ILE 235 N 1.87 4.77 -0.30 2.22 1.01 -1.26 -4.57 121.20 124.94 1jxj s ILE 235 Ca 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 1jxj s ILE 235 Cb -0.12 -4.27 0.11 0.00 0.01 0.00 0.00 42.46 38.18 1jxj s ILE 235 CO -0.06 -0.70 0.14 -0.62 0.00 0.00 0.00 174.94 173.71 1jxj s ASP 236 N 2.21 3.54 -0.02 3.58 2.15 -1.26 -4.94 116.67 121.93 1jxj s ASP 236 Ca 0.23 -1.49 0.19 0.00 0.43 0.00 0.00 52.55 51.91 1jxj s ASP 236 Cb -0.15 -0.45 0.59 0.00 -0.30 0.00 0.00 42.92 42.62 1jxj s ASP 236 CO 0.18 -0.42 1.49 0.18 -0.17 0.00 0.00 175.17 176.44 1jxj n LEU 237 N 5.00 3.67 0.00 -1.34 4.77 -1.26 -4.65 117.00 123.19 1jxj n LEU 237 Ca -0.03 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.11 1jxj n LEU 237 Cb 0.41 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1jxj n LEU 237 CO 0.07 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1jxj n GLY 238 N 1.44 1.78 2.44 -0.72 0.00 -1.26 -5.03 105.19 103.84 1jxj n GLY 238 Ca 0.22 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1jxj n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jxj n GLY 239 N 1.46 0.61 3.46 -0.02 0.00 -1.26 -5.02 105.19 104.42 1jxj n GLY 239 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1jxj n GLY 239 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jxj s GLU 240 N -0.16 1.64 0.52 1.61 2.02 -1.26 -5.02 118.70 118.05 1jxj s GLU 240 Ca 0.00 -1.78 0.31 0.00 0.02 0.00 0.00 54.97 53.52 1jxj s GLU 240 Cb 0.00 -1.59 1.17 0.00 0.10 0.00 0.00 34.13 33.81 1jxj s GLU 240 CO 0.00 0.24 1.91 -1.00 0.02 0.00 0.00 175.26 176.43 1jxj h PRO 241 N 2.27 0.00 -5.86 0.39 0.14 -1.87 -3.42 132.00 123.64 1jxj h PRO 241 Ca -0.40 0.00 -0.63 0.00 0.14 0.00 0.00 66.00 65.11 1jxj h PRO 241 Cb 1.25 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 32.33 1jxj h PRO 241 CO 0.63 0.05 -0.38 0.42 0.14 0.00 0.00 178.00 178.86 1jxj s ILE 242 N -3.62 5.30 0.06 -3.56 1.01 -1.26 -5.02 121.20 114.11 1jxj s ILE 242 Ca 0.02 0.29 0.05 0.00 0.00 0.00 0.00 60.65 61.01 1jxj s ILE 242 Cb 0.09 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 1jxj s ILE 242 CO 0.58 0.46 -0.14 -0.54 0.00 0.00 0.00 174.94 175.29 1jxj s LYS 243 N -1.49 0.89 0.25 2.79 1.02 -1.26 -4.97 119.74 116.97 1jxj s LYS 243 Ca 0.24 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.34 1jxj s LYS 243 Cb -0.13 -0.90 0.50 0.00 -0.52 0.00 0.00 37.83 36.77 1jxj s LYS 243 CO 0.13 0.21 1.73 0.77 -0.92 0.00 0.00 175.35 177.27 1jxj h SER 244 N 4.60 0.30 -0.08 2.83 0.02 -1.93 -0.54 113.55 118.75 1jxj h SER 244 Ca -0.40 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1jxj h SER 244 Cb 1.19 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 1jxj h SER 244 CO 0.42 0.09 0.15 0.77 -1.14 0.00 0.00 176.83 177.13 1jxj h SER 245 N 0.45 0.00 0.13 3.07 4.64 -2.01 0.14 113.55 119.97 1jxj h SER 245 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1jxj h SER 245 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1jxj h SER 245 CO -0.42 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 175.98 1jxj h ASP 246 N 0.00 0.00 -0.07 4.97 3.32 -1.50 -2.49 116.42 120.64 1jxj h ASP 246 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1jxj h ASP 246 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1jxj h ASP 246 CO -0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1jxj n TYR 247 N -2.40 0.07 0.29 4.55 4.02 0.04 -4.59 117.16 119.14 1jxj n TYR 247 Ca -0.01 -0.06 0.14 0.00 -0.01 0.00 0.00 57.90 57.97 1jxj n TYR 247 Cb 0.07 -0.00 0.87 0.00 -0.02 0.00 0.00 39.34 40.26 1jxj n TYR 247 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1jxj h PHE 248 N 3.06 0.00 0.00 -0.72 0.04 -1.56 -0.72 116.94 117.04 1jxj h PHE 248 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jxj h PHE 248 Cb 0.67 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.82 1jxj h PHE 248 CO 0.04 0.03 0.00 0.78 -0.60 0.00 0.00 178.31 178.56 1jxj h GLY 249 N 0.22 0.00 0.00 -1.45 0.00 -1.81 -3.11 103.07 96.92 1jxj h GLY 249 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1jxj h GLY 249 CO 0.00 0.00 -1.77 0.70 0.00 0.00 0.00 176.54 175.47 1jxj n ASN 250 N -2.46 1.23 0.00 0.19 3.02 -0.28 -5.06 115.26 111.90 1jxj n ASN 250 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1jxj n ASN 250 Cb 0.21 1.69 0.00 0.00 -0.61 0.00 0.00 39.78 41.07 1jxj n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jxj n GLY 251 N 1.60 -0.20 3.77 7.41 0.00 -1.18 -4.74 105.19 111.85 1jxj n GLY 251 Ca -0.05 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 1jxj n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jxj s ARG 252 N -2.00 1.63 0.00 1.61 0.52 0.16 -4.32 118.95 116.56 1jxj s ARG 252 Ca 0.00 0.62 0.02 0.00 -0.52 0.00 0.00 55.73 55.85 1jxj s ARG 252 Cb 0.00 -1.87 -0.01 0.00 0.52 0.00 0.00 34.95 33.60 1jxj s ARG 252 CO 0.00 -1.93 -0.06 0.08 0.02 0.00 0.00 175.30 173.41 1jxj s VAL 253 N -3.11 0.45 0.28 3.52 1.01 0.26 -0.83 120.40 121.97 1jxj s VAL 253 Ca 0.62 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1jxj s VAL 253 Cb -0.16 -0.40 -0.11 0.00 0.00 0.00 0.00 36.38 35.72 1jxj s VAL 253 CO 0.55 0.06 1.51 0.42 0.00 0.00 0.00 175.10 177.64 1jxj s THR 254 N -0.29 2.35 -0.81 3.92 -4.23 -0.06 -2.03 115.64 114.49 1jxj s THR 254 Ca 0.01 0.30 -0.10 0.00 -1.18 0.00 0.00 61.69 60.71 1jxj s THR 254 Cb -0.03 -3.19 0.21 0.00 1.34 0.00 0.00 72.50 70.83 1jxj s THR 254 CO -0.00 0.05 0.72 -0.70 -0.54 0.00 0.00 174.62 174.15 1jxj s GLU 255 N -0.55 3.38 0.20 3.99 2.56 -0.33 -4.59 118.70 123.37 1jxj s GLU 255 Ca 0.61 -2.60 0.20 0.00 0.00 0.00 0.00 54.97 53.17 1jxj s GLU 255 Cb -0.45 -4.24 0.87 0.00 2.00 0.00 0.00 34.13 32.32 1jxj s GLU 255 CO 0.47 -1.26 1.61 1.19 -0.56 0.00 0.00 175.26 176.72 1jxj n PHE 256 N 3.63 0.58 0.20 5.30 3.01 -1.26 -2.15 117.46 126.76 1jxj n PHE 256 Ca 0.14 0.24 0.06 0.00 1.01 0.00 0.00 57.45 58.89 1jxj n PHE 256 Cb 0.43 -0.89 0.41 0.00 -0.01 0.00 0.00 39.48 39.43 1jxj n PHE 256 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1jxj h LYS 257 N 0.00 0.00 0.61 -1.08 1.57 -1.90 -3.17 116.57 112.60 1jxj h LYS 257 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1jxj h LYS 257 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1jxj h LYS 257 CO 0.00 0.34 -0.43 -0.92 -0.57 0.00 0.00 179.45 177.87 1jxj h TYR 258 N 0.00 -1.15 0.00 -1.35 5.03 -1.77 -0.29 116.97 117.44 1jxj h TYR 258 Ca -0.00 -0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.16 1jxj h TYR 258 Cb 0.74 0.42 -0.02 0.00 1.55 0.00 0.00 36.73 39.42 1jxj h TYR 258 CO 0.00 -0.62 -0.66 0.78 -1.32 0.00 0.00 178.16 176.34 1jxj h GLY 259 N -1.00 0.00 0.82 1.82 0.00 -1.64 -0.83 103.07 102.24 1jxj h GLY 259 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1jxj h GLY 259 CO 0.04 0.00 0.01 0.00 0.00 0.00 0.00 176.54 176.59 1jxj h ALA 260 N 1.34 0.04 -0.43 3.60 0.00 -1.50 -0.58 119.26 121.74 1jxj h ALA 260 Ca -0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1jxj h ALA 260 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1jxj h ALA 260 CO 0.09 -0.36 -0.18 0.87 0.00 0.00 0.00 179.25 179.67 1jxj h LYS 261 N -0.13 0.88 -0.73 0.00 1.79 -0.97 -2.32 116.57 115.09 1jxj h LYS 261 Ca 0.01 -0.37 -0.07 0.00 -2.18 0.00 0.00 60.65 58.04 1jxj h LYS 261 Cb 0.20 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 1jxj h LYS 261 CO -0.00 1.02 0.19 1.25 -1.08 0.00 0.00 179.45 180.83 1jxj h LEU 262 N 0.71 1.09 -0.37 2.94 5.85 -1.10 -0.47 115.31 123.96 1jxj h LEU 262 Ca 0.10 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1jxj h LEU 262 Cb 0.74 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1jxj h LEU 262 CO 0.06 1.03 0.16 1.23 -0.34 0.00 0.00 178.44 180.57 1jxj h GLY 263 N 1.10 0.58 0.56 3.75 0.00 -1.06 -0.38 103.07 107.62 1jxj h GLY 263 Ca 0.23 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.29 1jxj h GLY 263 CO -0.00 0.29 -0.07 -0.84 0.00 0.00 0.00 176.54 175.91 1jxj h THR 264 N 0.45 0.75 -0.11 4.70 2.02 -1.06 -2.16 112.91 117.50 1jxj h THR 264 Ca 0.12 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.34 1jxj h THR 264 Cb 0.16 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1jxj h THR 264 CO -0.01 0.00 -0.09 0.58 0.37 0.00 0.00 175.52 176.37 1jxj h VAL 265 N -0.05 0.75 0.00 3.16 2.07 -0.84 -1.56 116.25 119.78 1jxj h VAL 265 Ca 0.10 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.52 1jxj h VAL 265 Cb 0.19 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1jxj h VAL 265 CO -0.22 0.00 -0.48 0.40 0.02 0.00 0.00 177.57 177.29 1jxj h ILE 266 N -0.10 1.32 0.00 4.57 1.08 -0.96 0.84 117.51 124.26 1jxj h ILE 266 Ca 0.07 -1.66 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 1jxj h ILE 266 Cb 0.20 1.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 1jxj h ILE 266 CO -0.17 0.47 0.00 0.54 -0.69 0.00 0.00 178.15 178.30 1jxj n ARG 267 N -3.93 0.21 -3.69 2.37 1.74 -0.82 -4.92 116.66 107.62 1jxj n ARG 267 Ca -0.01 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.81 1jxj n ARG 267 Cb 0.50 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.51 1jxj n ARG 267 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1jxj n LYS 268 N -1.40 -7.30 -3.27 5.56 5.02 0.29 -5.00 118.16 112.06 1jxj n LYS 268 Ca 0.11 0.76 -0.23 0.00 -2.02 0.00 0.00 58.31 56.92 1jxj n LYS 268 Cb 0.29 -5.78 -0.01 0.00 -0.02 0.00 0.00 35.03 29.52 1jxj n LYS 268 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1jxj s TRP 269 N -3.31 3.42 -1.54 2.13 0.51 -0.65 -4.53 118.94 114.97 1jxj s TRP 269 Ca 0.61 0.30 0.00 0.00 -2.12 0.00 0.00 56.10 54.89 1jxj s TRP 269 Cb -0.28 -2.01 0.00 0.00 -0.81 0.00 0.00 33.47 30.37 1jxj s TRP 269 CO 0.76 -0.01 0.00 -1.71 -0.51 0.00 0.00 176.95 175.48 1jxj n ASN 270 N -1.86 -5.18 0.00 2.95 4.05 -1.26 -0.50 115.26 113.45 1jxj n ASN 270 Ca -0.03 0.07 0.00 0.00 0.45 0.00 0.00 54.58 55.07 1jxj n ASN 270 Cb 0.57 -4.35 0.00 0.00 1.23 0.00 0.00 39.78 37.23 1jxj n ASN 270 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jxj n GLY 271 N -0.92 0.92 3.80 8.20 0.00 -1.26 -5.01 105.19 110.91 1jxj n GLY 271 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1jxj n GLY 271 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jxj s GLU 272 N -0.03 4.16 0.01 1.61 0.41 0.34 -5.07 118.70 120.14 1jxj s GLU 272 Ca 0.00 1.31 -0.08 0.00 -0.41 0.00 0.00 54.97 55.79 1jxj s GLU 272 Cb 0.00 -2.35 0.00 0.00 -1.78 0.00 0.00 34.13 30.00 1jxj s GLU 272 CO 0.00 -0.11 0.16 -1.59 -0.49 0.00 0.00 175.26 173.23 1jxj s LYS 273 N -2.84 0.56 0.47 1.61 -2.85 -1.26 -4.35 119.74 111.08 1jxj s LYS 273 Ca 0.60 -0.46 0.20 0.00 -1.00 0.00 0.00 55.97 55.32 1jxj s LYS 273 Cb -0.16 0.23 1.20 0.00 -2.06 0.00 0.00 37.83 37.05 1jxj s LYS 273 CO 0.20 -0.14 1.95 0.52 0.10 0.00 0.00 175.35 177.98 1jxj h MET 274 N 4.01 0.23 0.00 1.78 2.86 -1.79 -0.85 114.93 121.17 1jxj h MET 274 Ca -0.31 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1jxj h MET 274 Cb 1.19 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1jxj h MET 274 CO 0.43 0.15 -0.01 0.66 1.06 0.00 0.00 176.91 179.20 1jxj h SER 275 N 0.24 0.00 0.96 1.22 4.64 -1.75 -0.22 113.55 118.63 1jxj h SER 275 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1jxj h SER 275 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1jxj h SER 275 CO -0.07 0.01 0.00 1.88 -0.87 0.00 0.00 176.83 177.78 1jxj h TYR 276 N 0.00 0.00 0.00 4.77 0.05 -1.43 -2.94 116.97 117.42 1jxj h TYR 276 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jxj h TYR 276 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1jxj h TYR 276 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.39 1jxj n LEU 277 N -2.73 0.00 0.22 3.88 4.77 -0.10 -3.64 117.00 119.41 1jxj n LEU 277 Ca 0.01 0.21 0.15 0.00 -0.03 0.00 0.00 56.01 56.35 1jxj n LEU 277 Cb 0.29 -0.21 0.79 0.00 -2.33 0.00 0.00 43.42 41.96 1jxj n LEU 277 CO 0.25 -0.11 1.13 0.07 -1.33 0.00 0.00 177.39 177.39 1jxj h LYS 278 N 0.00 0.00 -0.44 3.23 2.10 -1.70 -0.76 116.57 119.00 1jxj h LYS 278 Ca 0.00 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.47 1jxj h LYS 278 Cb 0.10 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.32 1jxj h LYS 278 CO 0.00 0.00 0.06 0.27 -2.00 0.00 0.00 179.45 177.78 1jxj n ASN 279 N -4.06 3.18 -4.49 7.07 6.94 -1.24 -5.03 115.26 117.63 1jxj n ASN 279 Ca -0.00 -3.52 -0.50 0.00 -0.02 0.00 0.00 54.58 50.54 1jxj n ASN 279 Cb 0.23 -0.65 -0.04 0.00 -2.36 0.00 0.00 39.78 36.96 1jxj n ASN 279 CO 0.00 0.00 0.00 1.87 -1.03 0.00 0.00 177.26 178.10 1jxj n TRP 280 N -0.90 0.44 0.00 -2.53 -0.00 -0.29 -3.22 117.44 110.94 1jxj n TRP 280 Ca 0.34 0.88 0.00 0.00 -0.00 0.00 0.00 57.50 58.72 1jxj n TRP 280 Cb 1.11 -2.11 0.00 0.00 -0.00 0.00 0.00 31.31 30.31 1jxj n TRP 280 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1jxj n GLY 281 N 1.80 0.09 0.33 5.87 0.00 -1.26 -4.59 105.19 107.43 1jxj n GLY 281 Ca 0.17 -1.77 0.16 0.00 0.00 0.00 0.00 46.02 44.58 1jxj n GLY 281 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jxj h GLU 282 N 0.00 0.00 -0.10 1.61 3.07 -1.80 0.11 114.58 117.47 1jxj h GLU 282 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1jxj h GLU 282 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1jxj h GLU 282 CO 0.00 0.00 0.09 0.78 -1.40 0.00 0.00 179.01 178.48 1jxj h GLY 283 N 0.00 0.00 -2.40 -3.84 0.00 -1.80 0.20 103.07 95.23 1jxj h GLY 283 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1jxj h GLY 283 CO -0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.33 1jxj n TRP 284 N -4.05 1.10 -0.54 5.60 7.02 0.36 -4.89 117.44 122.05 1jxj n TRP 284 Ca -0.01 -0.44 0.00 0.00 -1.02 0.00 0.00 57.50 56.03 1jxj n TRP 284 Cb 0.20 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 28.90 1jxj n TRP 284 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1jxj n GLY 285 N 0.94 0.74 3.82 6.99 0.00 0.06 -5.01 105.19 112.73 1jxj n GLY 285 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1jxj n GLY 285 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jxj s PHE 286 N -2.30 2.83 0.97 1.61 0.08 -1.18 -5.01 117.98 114.98 1jxj s PHE 286 Ca 0.00 1.01 -0.12 0.00 0.12 0.00 0.00 56.93 57.94 1jxj s PHE 286 Cb 0.00 -3.23 0.17 0.00 -0.57 0.00 0.00 43.02 39.39 1jxj s PHE 286 CO 0.00 -1.85 1.10 0.00 -0.10 0.00 0.00 175.22 174.36 1jxj s MET 287 N -5.26 0.66 0.42 0.44 0.23 -1.26 -4.50 119.30 110.01 1jxj s MET 287 Ca 0.61 0.56 -0.26 0.00 -1.03 0.00 0.00 55.69 55.58 1jxj s MET 287 Cb -0.14 -1.76 -0.10 0.00 -1.53 0.00 0.00 34.83 31.31 1jxj s MET 287 CO 0.53 -2.59 1.28 -2.30 -2.03 0.00 0.00 175.02 169.91 1jxj n PRO 288 N -4.08 1.97 -0.28 3.16 -0.02 -1.26 -4.60 135.00 129.88 1jxj n PRO 288 Ca 0.06 0.70 0.10 0.00 -2.02 0.00 0.00 63.50 62.33 1jxj n PRO 288 Cb 0.57 -2.39 0.33 0.00 -0.02 0.00 0.00 33.50 31.99 1jxj n PRO 288 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jxj h SER 289 N 2.13 0.74 0.32 2.55 0.87 -1.95 -1.08 113.55 117.14 1jxj h SER 289 Ca -0.48 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1jxj h SER 289 Cb 1.29 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1jxj h SER 289 CO 0.60 0.40 0.00 -0.90 -0.53 0.00 0.00 176.83 176.40 1jxj n ASP 290 N -4.56 0.00 -0.02 6.23 5.68 -1.26 -2.65 116.55 119.97 1jxj n ASP 290 Ca 0.17 -0.17 0.02 0.00 -0.50 0.00 0.00 54.79 54.31 1jxj n ASP 290 Cb 0.40 -0.22 -0.02 0.00 -1.14 0.00 0.00 41.12 40.13 1jxj n ASP 290 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jxj n ARG 291 N -1.22 4.92 -2.95 0.11 5.12 -0.45 -4.90 116.66 117.30 1jxj n ARG 291 Ca 0.12 -0.07 -0.40 0.00 -1.93 0.00 0.00 57.85 55.56 1jxj n ARG 291 Cb 0.15 -0.76 -0.05 0.00 -1.16 0.00 0.00 32.46 30.65 1jxj n ARG 291 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jxj s ALA 292 N -1.36 3.35 -0.36 7.54 0.00 -0.97 -0.58 121.76 129.39 1jxj s ALA 292 Ca 0.02 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 1jxj s ALA 292 Cb 0.04 -3.03 0.05 0.00 0.00 0.00 0.00 23.12 20.17 1jxj s ALA 292 CO 0.18 0.06 0.14 -1.17 0.00 0.00 0.00 175.76 174.98 1jxj s LEU 293 N -0.09 4.52 0.29 0.00 1.98 -0.86 -1.01 118.68 123.52 1jxj s LEU 293 Ca 0.40 -1.22 0.07 0.00 -2.89 0.00 0.00 54.13 50.49 1jxj s LEU 293 Cb -0.21 -1.90 -0.03 0.00 0.66 0.00 0.00 46.19 44.71 1jxj s LEU 293 CO 0.24 -0.37 0.26 0.68 -1.89 0.00 0.00 176.35 175.26 1jxj s VAL 294 N 1.41 4.01 -0.20 1.68 -7.23 -0.15 -1.18 120.40 118.73 1jxj s VAL 294 Ca -0.00 -1.37 -0.31 0.00 -1.81 0.00 0.00 61.98 58.49 1jxj s VAL 294 Cb -0.20 -3.31 0.15 0.00 0.56 0.00 0.00 36.38 33.58 1jxj s VAL 294 CO 0.03 -0.26 1.17 0.72 -0.31 0.00 0.00 175.10 176.45 1jxj s PHE 295 N -2.21 -0.19 -0.15 2.82 -0.71 -1.26 -1.29 117.98 114.99 1jxj s PHE 295 Ca 0.37 0.26 -0.28 0.00 -1.04 0.00 0.00 56.93 56.24 1jxj s PHE 295 Cb -0.07 0.49 -0.25 0.00 -1.21 0.00 0.00 43.02 41.98 1jxj s PHE 295 CO 0.26 -0.21 0.69 0.28 -1.34 0.00 0.00 175.22 174.90 1jxj h VAL 296 N 2.19 1.67 -4.03 -2.49 2.07 -1.93 -3.26 116.25 110.47 1jxj h VAL 296 Ca -0.12 -2.33 -0.24 0.00 0.82 0.00 0.00 66.70 64.83 1jxj h VAL 296 Cb 1.18 3.23 -0.15 0.00 -1.52 0.00 0.00 31.29 34.03 1jxj h VAL 296 CO 0.26 0.57 -0.66 1.51 0.02 0.00 0.00 177.57 179.26 1jxj s ASP 297 N -6.31 0.84 0.41 0.57 -4.77 -1.26 -4.51 116.67 101.63 1jxj s ASP 297 Ca -0.20 -1.17 0.04 0.00 -3.30 0.00 0.00 52.55 47.92 1jxj s ASP 297 Cb -0.02 0.19 -0.02 0.00 -1.09 0.00 0.00 42.92 41.98 1jxj s ASP 297 CO 0.68 -0.63 0.16 -0.46 0.70 0.00 0.00 175.17 175.62 1jxj n ASN 298 N -0.16 1.03 0.08 2.11 6.94 -1.26 -4.64 115.26 119.36 1jxj n ASN 298 Ca -0.07 -3.21 0.05 0.00 -0.02 0.00 0.00 54.58 51.33 1jxj n ASN 298 Cb 0.63 1.12 0.48 0.00 -2.36 0.00 0.00 39.78 39.64 1jxj n ASN 298 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1jxj h HIS 299 N 1.73 0.35 0.05 -2.53 2.07 -2.00 -2.00 115.15 112.82 1jxj h HIS 299 Ca -0.31 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.21 1jxj h HIS 299 Cb 1.23 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 31.10 1jxj h HIS 299 CO 0.00 0.25 -0.02 -0.44 -3.07 0.00 0.00 177.93 174.64 1jxj h ASP 300 N 0.37 -0.06 0.82 3.10 3.32 -2.01 -3.39 116.42 118.58 1jxj h ASP 300 Ca 0.10 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1jxj h ASP 300 Cb 0.01 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1jxj h ASP 300 CO -0.02 0.60 0.00 -0.46 -1.72 0.00 0.00 179.24 177.64 1jxj n ASN 301 N -4.77 0.20 0.00 6.45 0.23 -1.17 -1.85 115.26 114.36 1jxj n ASN 301 Ca -0.05 0.53 0.09 0.00 -0.53 0.00 0.00 54.58 54.62 1jxj n ASN 301 Cb 0.20 -0.58 0.43 0.00 -2.08 0.00 0.00 39.78 37.75 1jxj n ASN 301 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jxj n GLN 302 N -1.71 0.19 0.00 -3.83 10.64 -0.76 -1.76 117.38 120.15 1jxj n GLN 302 Ca 0.05 0.14 0.13 0.00 -1.83 0.00 0.00 57.00 55.48 1jxj n GLN 302 Cb 0.27 -1.50 0.28 0.00 -0.86 0.00 0.00 30.24 28.43 1jxj n GLN 302 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1jxj n ARG 303 N -1.34 1.22 -0.20 2.61 1.74 -0.77 -4.97 116.66 114.95 1jxj n ARG 303 Ca 0.07 -0.84 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 1jxj n ARG 303 Cb 0.16 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1jxj n ARG 303 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jxj n GLY 304 N 1.33 0.62 0.53 -0.13 0.00 -0.72 -4.74 105.19 102.07 1jxj n GLY 304 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 1jxj n GLY 304 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jxj n HIS 305 N -2.00 0.29 -1.98 1.61 8.25 -1.26 -4.00 115.22 116.12 1jxj n HIS 305 Ca 0.00 -1.25 -0.18 0.00 -0.26 0.00 0.00 57.72 56.02 1jxj n HIS 305 Cb 0.00 -0.26 0.12 0.00 1.12 0.00 0.00 29.99 30.97 1jxj n HIS 305 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jxj n GLY 306 N -1.17 -0.54 0.30 -1.41 0.00 -1.26 -4.87 105.19 96.24 1jxj n GLY 306 Ca 0.20 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.44 1jxj n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxj h ALA 307 N -1.33 1.68 0.00 4.61 0.00 -1.96 0.85 119.26 123.11 1jxj h ALA 307 Ca -0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1jxj h ALA 307 Cb 0.82 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jxj h ALA 307 CO 0.22 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1jxj n GLY 308 N -1.38 -1.02 7.00 0.00 0.00 -1.26 -4.94 105.19 103.59 1jxj n GLY 308 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1jxj n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jxj n GLY 309 N 0.45 2.42 0.23 -0.02 0.00 0.29 -1.84 105.19 106.72 1jxj n GLY 309 Ca 0.08 -0.24 0.16 0.00 0.00 0.00 0.00 46.02 46.01 1jxj n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxj h ALA 310 N -0.52 1.00 0.00 4.61 0.00 -1.89 -3.18 119.26 119.29 1jxj h ALA 310 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jxj h ALA 310 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jxj h ALA 310 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1jxj n SER 311 N -2.76 0.67 -4.70 0.00 3.41 -0.77 -4.77 113.62 104.71 1jxj n SER 311 Ca 0.01 0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 58.81 1jxj n SER 311 Cb 0.25 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.39 1jxj n SER 311 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1jxj s ILE 312 N -3.19 3.01 0.19 -1.33 -1.09 -1.20 -3.90 121.20 113.68 1jxj s ILE 312 Ca 0.08 0.54 -0.13 0.00 -2.23 0.00 0.00 60.65 58.90 1jxj s ILE 312 Cb 0.11 -3.35 -0.07 0.00 -1.58 0.00 0.00 42.46 37.57 1jxj s ILE 312 CO 0.48 0.01 0.58 -0.76 -1.23 0.00 0.00 174.94 174.02 1jxj s LEU 313 N 2.21 4.27 0.00 2.97 1.43 -1.26 -5.01 118.68 123.29 1jxj s LEU 313 Ca 0.72 1.08 0.05 0.00 -1.03 0.00 0.00 54.13 54.95 1jxj s LEU 313 Cb -0.40 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.32 1jxj s LEU 313 CO 0.31 0.02 0.32 0.35 0.23 0.00 0.00 176.35 177.59 1jxj n THR 314 N 0.44 0.00 0.32 5.49 -2.24 -1.26 -4.33 114.28 112.70 1jxj n THR 314 Ca -0.03 -2.16 0.20 0.00 -2.27 0.00 0.00 64.05 59.79 1jxj n THR 314 Cb 0.52 1.13 1.06 0.00 -2.10 0.00 0.00 70.33 70.94 1jxj n THR 314 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1jxj h PHE 315 N 2.01 0.00 0.00 4.78 -5.15 -1.96 0.16 116.94 116.77 1jxj h PHE 315 Ca -0.23 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.49 1jxj h PHE 315 Cb 1.14 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.30 1jxj h PHE 315 CO 0.00 0.01 -0.21 -1.49 -2.00 0.00 0.00 178.31 174.62 1jxj h TRP 316 N 0.00 0.00 -2.13 6.09 4.06 -1.97 -2.80 115.95 119.19 1jxj h TRP 316 Ca -0.00 0.00 -0.69 0.00 2.06 0.00 0.00 58.89 60.26 1jxj h TRP 316 Cb 0.08 0.00 -0.35 0.00 -1.00 0.00 0.00 29.16 27.89 1jxj h TRP 316 CO 0.00 0.21 0.12 -0.25 -3.56 0.00 0.00 178.44 174.96 1jxj n ASP 317 N -3.84 5.87 -0.32 -3.49 8.00 0.55 -4.92 116.55 118.39 1jxj n ASP 317 Ca -0.02 -3.71 0.07 0.00 0.71 0.00 0.00 54.79 51.84 1jxj n ASP 317 Cb 0.31 -0.81 0.23 0.00 -0.02 0.00 0.00 41.12 40.82 1jxj n ASP 317 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jxj h ALA 318 N 3.35 1.38 0.28 2.24 0.00 -1.59 -0.01 119.26 124.91 1jxj h ALA 318 Ca 0.35 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1jxj h ALA 318 Cb 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jxj h ALA 318 CO 1.02 0.07 -0.14 -0.09 0.00 0.00 0.00 179.25 180.11 1jxj h ARG 319 N 0.81 -0.37 -0.20 0.00 2.43 -1.89 -1.09 114.38 114.06 1jxj h ARG 319 Ca 0.47 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.59 1jxj h ARG 319 Cb 0.55 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1jxj h ARG 319 CO -0.30 -0.06 -0.21 -0.07 -1.51 0.00 0.00 179.97 177.81 1jxj h LEU 320 N -0.68 0.35 -0.12 3.80 3.38 -1.87 -3.08 115.31 117.09 1jxj h LEU 320 Ca -0.04 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1jxj h LEU 320 Cb 0.47 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1jxj h LEU 320 CO 0.06 0.58 0.08 0.22 0.09 0.00 0.00 178.44 179.47 1jxj h TYR 321 N 0.32 0.15 -0.97 1.13 3.20 -0.84 -1.30 116.97 118.66 1jxj h TYR 321 Ca 0.05 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.01 1jxj h TYR 321 Cb 0.56 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.71 1jxj h TYR 321 CO 0.01 0.10 0.63 0.87 -1.64 0.00 0.00 178.16 178.13 1jxj h LYS 322 N 0.16 1.04 -0.28 1.82 1.57 -1.12 0.32 116.57 120.08 1jxj h LYS 322 Ca 0.04 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1jxj h LYS 322 Cb -0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1jxj h LYS 322 CO -0.01 0.69 -0.02 0.52 -0.57 0.00 0.00 179.45 180.06 1jxj h MET 323 N 1.07 0.51 -0.35 3.15 2.86 -1.40 0.11 114.93 120.88 1jxj h MET 323 Ca 0.44 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1jxj h MET 323 Cb 0.27 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1jxj h MET 323 CO -0.19 0.68 0.23 0.00 1.06 0.00 0.00 176.91 178.70 1jxj h ALA 324 N 0.81 0.45 -0.63 6.32 0.00 -0.68 0.15 119.26 125.68 1jxj h ALA 324 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1jxj h ALA 324 Cb 0.47 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1jxj h ALA 324 CO 0.02 -0.09 0.15 0.28 0.00 0.00 0.00 179.25 179.61 1jxj h VAL 325 N 0.48 1.25 -0.47 0.00 2.07 -0.91 -1.00 116.25 117.67 1jxj h VAL 325 Ca 0.13 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 1jxj h VAL 325 Cb -0.05 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1jxj h VAL 325 CO -0.03 0.34 0.06 1.23 0.02 0.00 0.00 177.57 179.19 1jxj h GLY 326 N 1.04 0.86 0.80 2.17 0.00 -0.19 -0.86 103.07 106.88 1jxj h GLY 326 Ca 0.20 -0.59 0.03 0.00 0.00 0.00 0.00 47.33 46.97 1jxj h GLY 326 CO 0.00 0.54 0.18 -2.75 0.00 0.00 0.00 176.54 174.51 1jxj h PHE 327 N 0.66 0.33 0.07 5.60 3.57 -0.44 -0.90 116.94 125.83 1jxj h PHE 327 Ca 0.14 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1jxj h PHE 327 Cb 0.42 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1jxj h PHE 327 CO 0.03 0.17 -0.19 1.98 -2.23 0.00 0.00 178.31 178.07 1jxj h MET 328 N 0.37 -0.33 0.00 1.11 4.05 -0.87 -0.77 114.93 118.48 1jxj h MET 328 Ca 0.16 0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.57 1jxj h MET 328 Cb 0.08 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1jxj h MET 328 CO -0.12 -0.22 -0.17 -0.07 0.23 0.00 0.00 176.91 176.55 1jxj h LEU 329 N -0.35 0.00 0.00 3.39 3.38 -1.01 -2.63 115.31 118.09 1jxj h LEU 329 Ca 0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1jxj h LEU 329 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1jxj h LEU 329 CO -0.13 0.17 -1.08 0.00 0.09 0.00 0.00 178.44 177.50 1jxj h ALA 330 N 1.83 0.56 -2.57 1.53 0.00 -0.64 -3.38 119.26 116.59 1jxj h ALA 330 Ca -0.00 -0.89 -0.53 0.00 0.00 0.00 0.00 54.91 53.48 1jxj h ALA 330 Cb 0.45 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1jxj h ALA 330 CO 0.02 1.11 0.31 -1.58 0.00 0.00 0.00 179.25 179.11 1jxj s HIS 331 N -2.78 3.76 -0.89 0.00 5.65 -0.34 -4.93 115.29 115.75 1jxj s HIS 331 Ca 0.00 1.69 0.15 0.00 0.25 0.00 0.00 55.06 57.14 1jxj s HIS 331 Cb 0.09 -3.00 0.63 0.00 -1.18 0.00 0.00 32.58 29.12 1jxj s HIS 331 CO 0.80 0.18 1.46 -0.35 -0.65 0.00 0.00 174.74 176.18 1jxj n PRO 332 N 3.03 0.04 -1.98 2.88 -0.04 -1.26 -4.79 135.00 132.87 1jxj n PRO 332 Ca 0.02 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.37 1jxj n PRO 332 Cb 0.50 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 1jxj n PRO 332 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1jxj s TYR 333 N -3.07 2.65 0.00 0.54 6.14 -1.26 -4.87 117.35 117.49 1jxj s TYR 333 Ca 0.06 0.48 0.00 0.00 0.64 0.00 0.00 57.07 58.25 1jxj s TYR 333 Cb 0.08 -3.90 0.00 0.00 0.42 0.00 0.00 41.96 38.56 1jxj s TYR 333 CO 0.26 -3.51 0.00 0.41 0.64 0.00 0.00 175.55 173.35 1jxj n GLY 334 N 3.87 -1.51 3.57 8.97 0.00 -1.24 -4.86 105.19 114.00 1jxj n GLY 334 Ca 0.15 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1jxj n GLY 334 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jxj s PHE 335 N -1.51 3.16 -0.08 1.61 2.19 -0.18 -4.94 117.98 118.23 1jxj s PHE 335 Ca 0.00 -0.10 -0.12 0.00 0.33 0.00 0.00 56.93 57.04 1jxj s PHE 335 Cb 0.00 -2.07 -0.05 0.00 -1.31 0.00 0.00 43.02 39.59 1jxj s PHE 335 CO 0.00 0.03 0.30 0.95 1.83 0.00 0.00 175.22 178.33 1jxj s THR 336 N 0.56 5.24 -0.11 0.12 -4.23 -1.26 -0.98 115.64 114.98 1jxj s THR 336 Ca 0.01 0.59 0.03 0.00 -1.18 0.00 0.00 61.69 61.14 1jxj s THR 336 Cb -0.13 -3.60 0.01 0.00 1.34 0.00 0.00 72.50 70.11 1jxj s THR 336 CO 0.02 0.54 -0.21 -0.60 -0.54 0.00 0.00 174.62 173.83 1jxj s ARG 337 N -0.64 2.75 -0.12 3.99 3.52 -0.41 -1.69 118.95 126.35 1jxj s ARG 337 Ca 0.19 -0.77 -0.05 0.00 -0.13 0.00 0.00 55.73 54.97 1jxj s ARG 337 Cb -0.14 -2.16 -0.04 0.00 -1.56 0.00 0.00 34.95 31.05 1jxj s ARG 337 CO 0.08 0.07 0.09 0.08 -0.81 0.00 0.00 175.30 174.81 1jxj s VAL 338 N 0.60 5.05 0.23 7.11 1.01 0.33 -4.42 120.40 130.31 1jxj s VAL 338 Ca -0.13 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.69 1jxj s VAL 338 Cb -0.17 -3.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.95 1jxj s VAL 338 CO 0.04 0.60 0.72 -0.32 0.00 0.00 0.00 175.10 176.14 1jxj s MET 339 N -0.83 4.21 -0.07 2.72 1.75 -1.26 -1.04 119.30 124.77 1jxj s MET 339 Ca 0.13 0.83 -0.01 0.00 -1.25 0.00 0.00 55.69 55.39 1jxj s MET 339 Cb -0.12 -2.82 0.03 0.00 2.84 0.00 0.00 34.83 34.76 1jxj s MET 339 CO 0.03 0.36 -0.01 0.45 -0.65 0.00 0.00 175.02 175.21 1jxj s SER 340 N -1.74 1.45 0.49 1.11 0.15 -0.49 -4.27 113.70 110.39 1jxj s SER 340 Ca 0.44 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 57.04 1jxj s SER 340 Cb -0.16 -0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 63.70 1jxj s SER 340 CO 0.20 -0.17 0.10 -0.44 1.20 0.00 0.00 173.24 174.13 1jxj s SER 341 N 1.78 4.22 0.21 5.45 0.01 -1.26 -2.90 113.70 121.21 1jxj s SER 341 Ca 0.02 -1.48 0.11 0.00 1.31 0.00 0.00 55.95 55.91 1jxj s SER 341 Cb -0.13 0.27 -0.05 0.00 0.21 0.00 0.00 66.02 66.33 1jxj s SER 341 CO -0.04 -0.81 -0.21 -0.72 0.41 0.00 0.00 173.24 171.87 1jxj s TYR 342 N -2.80 2.15 0.40 2.43 -0.85 -1.26 -0.61 117.35 116.80 1jxj s TYR 342 Ca 0.19 -0.39 -0.22 0.00 -0.52 0.00 0.00 57.07 56.13 1jxj s TYR 342 Cb 0.02 -1.03 -0.11 0.00 0.38 0.00 0.00 41.96 41.23 1jxj s TYR 342 CO 0.10 0.51 0.95 1.03 -1.52 0.00 0.00 175.55 176.62 1jxj s ARG 343 N -2.97 4.31 0.05 -3.49 0.52 0.12 -4.83 118.95 112.67 1jxj s ARG 343 Ca 0.22 1.17 -0.06 0.00 -0.52 0.00 0.00 55.73 56.54 1jxj s ARG 343 Cb -0.06 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 1jxj s ARG 343 CO 0.10 0.04 0.11 1.67 0.02 0.00 0.00 175.30 177.24 1jxj s TRP 344 N -2.04 0.23 -1.22 -0.53 -2.14 -1.26 -4.74 118.94 107.23 1jxj s TRP 344 Ca 0.59 -0.60 -0.20 0.00 2.66 0.00 0.00 56.10 58.55 1jxj s TRP 344 Cb -0.11 -0.15 -0.02 0.00 -3.10 0.00 0.00 33.47 30.08 1jxj s TRP 344 CO 0.16 -0.43 1.87 -0.35 -2.66 0.00 0.00 176.95 175.54 1jxj n PRO 345 N 0.41 2.29 -1.73 3.25 -0.04 -1.26 -4.95 135.00 132.97 1jxj n PRO 345 Ca -0.17 -2.75 -0.42 0.00 -0.04 0.00 0.00 63.50 60.12 1jxj n PRO 345 Cb 0.60 -3.56 -0.03 0.00 -0.04 0.00 0.00 33.50 30.47 1jxj n PRO 345 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1jxj s ARG 346 N 5.30 4.15 -0.17 0.54 3.52 -1.26 -4.69 118.95 126.34 1jxj s ARG 346 Ca 0.61 2.55 -0.03 0.00 -0.13 0.00 0.00 55.73 58.72 1jxj s ARG 346 Cb 0.03 -4.04 0.06 0.00 -1.56 0.00 0.00 34.95 29.44 1jxj s ARG 346 CO 0.10 -0.92 0.05 -0.47 -0.81 0.00 0.00 175.30 173.25 1jxj s TYR 347 N 4.11 0.72 -0.15 5.12 6.14 -1.26 -5.03 117.35 126.99 1jxj s TYR 347 Ca 0.85 -0.60 -0.17 0.00 0.64 0.00 0.00 57.07 57.79 1jxj s TYR 347 Cb -0.42 -0.89 -0.04 0.00 0.42 0.00 0.00 41.96 41.03 1jxj s TYR 347 CO 0.39 -0.54 0.44 -0.06 0.64 0.00 0.00 175.55 176.42 1jxj s PHE 348 N 1.96 3.46 -0.29 4.97 0.08 -1.26 -1.46 117.98 125.45 1jxj s PHE 348 Ca 0.01 0.78 0.02 0.00 0.12 0.00 0.00 56.93 57.85 1jxj s PHE 348 Cb -0.16 -2.53 0.08 0.00 -0.57 0.00 0.00 43.02 39.84 1jxj s PHE 348 CO -0.08 0.11 0.00 -2.00 -0.10 0.00 0.00 175.22 173.16 1jxj s GLU 349 N 0.85 1.47 -0.48 0.44 2.12 -0.10 -4.88 118.70 118.13 1jxj s GLU 349 Ca 0.23 -1.34 -0.18 0.00 0.36 0.00 0.00 54.97 54.04 1jxj s GLU 349 Cb -0.15 -2.71 0.03 0.00 0.26 0.00 0.00 34.13 31.56 1jxj s GLU 349 CO 0.09 -0.78 0.50 0.27 -0.54 0.00 0.00 175.26 174.79 1jxj n ASN 350 N 4.54 -4.03 0.00 -1.70 2.04 -1.26 -2.90 115.26 111.95 1jxj n ASN 350 Ca -0.05 -0.40 0.00 0.00 -0.44 0.00 0.00 54.58 53.69 1jxj n ASN 350 Cb 0.43 -1.24 0.00 0.00 -2.53 0.00 0.00 39.78 36.44 1jxj n ASN 350 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jxj n GLY 351 N -0.67 2.86 3.68 4.83 0.00 -1.26 -5.02 105.19 109.60 1jxj n GLY 351 Ca -0.15 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1jxj n GLY 351 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jxj s LYS 352 N 0.00 2.76 -0.63 1.61 2.20 -1.14 -5.05 119.74 119.49 1jxj s LYS 352 Ca 0.00 -0.63 -0.24 0.00 -0.36 0.00 0.00 55.97 54.75 1jxj s LYS 352 Cb 0.00 -2.65 0.05 0.00 -1.51 0.00 0.00 37.83 33.72 1jxj s LYS 352 CO 0.00 0.62 1.01 0.34 -0.36 0.00 0.00 175.35 176.96 1jxj s ASP 353 N -1.57 6.23 0.03 1.43 2.15 -1.26 -0.92 116.67 122.75 1jxj s ASP 353 Ca 0.20 -0.68 0.09 0.00 0.43 0.00 0.00 52.55 52.59 1jxj s ASP 353 Cb -0.11 -2.45 0.40 0.00 -0.30 0.00 0.00 42.92 40.46 1jxj s ASP 353 CO 0.10 -1.43 1.29 1.33 -0.17 0.00 0.00 175.17 176.30 1jxj n VAL 354 N 6.09 1.41 -1.18 1.11 0.24 -0.53 -1.75 118.33 123.72 1jxj n VAL 354 Ca -0.01 0.37 -0.04 0.00 -2.04 0.00 0.00 64.34 62.62 1jxj n VAL 354 Cb 0.47 -1.25 0.25 0.00 -1.47 0.00 0.00 33.84 31.84 1jxj n VAL 354 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1jxj n ASN 355 N -1.57 3.74 0.00 -1.34 3.02 -1.26 -4.58 115.26 113.28 1jxj n ASN 355 Ca 0.02 -3.40 0.12 0.00 -0.03 0.00 0.00 54.58 51.29 1jxj n ASN 355 Cb 0.10 -0.68 0.63 0.00 -0.61 0.00 0.00 39.78 39.22 1jxj n ASN 355 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1jxj n ASP 356 N -0.67 0.00 0.05 6.41 5.68 -0.72 -2.45 116.55 124.85 1jxj n ASP 356 Ca 0.36 -0.22 0.12 0.00 -0.50 0.00 0.00 54.79 54.55 1jxj n ASP 356 Cb 1.20 -0.22 0.06 0.00 -1.14 0.00 0.00 41.12 41.03 1jxj n ASP 356 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1jxj n TRP 357 N -1.22 0.46 -1.67 2.11 4.27 -1.26 -4.92 117.44 115.21 1jxj n TRP 357 Ca 0.13 0.13 -0.46 0.00 -3.89 0.00 0.00 57.50 53.41 1jxj n TRP 357 Cb 0.16 -0.59 -0.04 0.00 -1.36 0.00 0.00 31.31 29.48 1jxj n TRP 357 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 1jxj n VAL 358 N -2.13 0.05 -1.01 -1.67 0.31 -1.03 -1.12 118.33 111.73 1jxj n VAL 358 Ca 0.02 -0.01 -0.07 0.00 -0.01 0.00 0.00 64.34 64.27 1jxj n VAL 358 Cb 0.46 -1.59 0.05 0.00 -0.91 0.00 0.00 33.84 31.85 1jxj n VAL 358 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jxj n GLY 359 N 3.53 -1.65 3.68 2.92 0.00 -1.23 -4.33 105.19 108.10 1jxj n GLY 359 Ca 0.17 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 1jxj n GLY 359 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jxj s PRO 360 N -3.61 1.02 0.20 1.61 0.04 -1.26 -4.91 135.00 128.09 1jxj s PRO 360 Ca 0.16 1.10 -0.32 0.00 0.04 0.00 0.00 61.00 61.99 1jxj s PRO 360 Cb -0.01 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.62 1jxj s PRO 360 CO 0.12 -2.48 1.15 -2.30 0.04 0.00 0.00 177.00 173.53 1jxj n PRO 361 N -4.09 1.27 -3.59 0.56 -0.02 -1.26 -4.84 135.00 123.03 1jxj n PRO 361 Ca 0.08 0.45 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 1jxj n PRO 361 Cb 0.54 -1.93 -0.05 0.00 -0.02 0.00 0.00 33.50 32.03 1jxj n PRO 361 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jxj s ASN 362 N -0.09 -0.39 -0.37 2.55 2.20 -1.26 -0.73 114.94 116.86 1jxj s ASN 362 Ca 0.70 0.05 -0.04 0.00 -0.94 0.00 0.00 52.86 52.62 1jxj s ASN 362 Cb -0.81 0.49 0.07 0.00 -2.00 0.00 0.00 41.25 39.00 1jxj s ASN 362 CO 0.53 -0.75 0.14 -1.81 -2.94 0.00 0.00 177.10 172.27 1jxj s ASP 363 N -2.18 5.24 -1.52 3.54 1.01 -0.02 -4.67 116.67 118.08 1jxj s ASP 363 Ca -0.03 -1.53 -0.05 0.00 0.71 0.00 0.00 52.55 51.65 1jxj s ASP 363 Cb -0.00 -1.83 0.04 0.00 1.01 0.00 0.00 42.92 42.13 1jxj s ASP 363 CO -0.04 -0.42 0.40 0.59 0.21 0.00 0.00 175.17 175.91 1jxj n ASN 364 N 4.71 -0.68 0.00 0.27 3.02 -1.26 -1.51 115.26 119.81 1jxj n ASN 364 Ca -0.09 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1jxj n ASN 364 Cb 0.43 -2.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.98 1jxj n ASN 364 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jxj n GLY 365 N -1.97 3.06 3.64 7.41 0.00 -1.26 -5.01 105.19 111.06 1jxj n GLY 365 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1jxj n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jxj s VAL 366 N -2.42 4.74 0.27 1.61 1.01 -0.57 -5.00 120.40 120.04 1jxj s VAL 366 Ca 0.00 1.55 -0.31 0.00 0.00 0.00 0.00 61.98 63.23 1jxj s VAL 366 Cb 0.00 -4.21 -0.12 0.00 0.00 0.00 0.00 36.38 32.05 1jxj s VAL 366 CO 0.00 -0.22 1.59 0.41 0.00 0.00 0.00 175.10 176.88 1jxj n THR 367 N 5.47 0.85 -2.57 3.92 -1.04 -1.26 -0.84 114.28 118.82 1jxj n THR 367 Ca 0.07 -0.21 -0.34 0.00 -2.04 0.00 0.00 64.05 61.53 1jxj n THR 367 Cb 0.47 -1.89 -0.04 0.00 -1.82 0.00 0.00 70.33 67.06 1jxj n THR 367 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1jxj s LYS 368 N -0.24 3.84 0.75 -2.82 1.02 0.09 -4.85 119.74 117.54 1jxj s LYS 368 Ca 0.66 1.35 -0.11 0.00 0.02 0.00 0.00 55.97 57.89 1jxj s LYS 368 Cb -0.52 -2.11 0.04 0.00 -0.52 0.00 0.00 37.83 34.72 1jxj s LYS 368 CO 0.46 -0.39 1.08 -1.83 -0.92 0.00 0.00 175.35 173.75 1jxj s GLU 369 N -3.21 2.45 -0.23 1.68 -1.05 -1.26 -4.86 118.70 112.22 1jxj s GLU 369 Ca 0.67 0.96 -0.23 0.00 -0.15 0.00 0.00 54.97 56.22 1jxj s GLU 369 Cb -0.16 -1.93 -0.01 0.00 -0.44 0.00 0.00 34.13 31.58 1jxj s GLU 369 CO 0.19 -1.45 0.73 0.08 0.95 0.00 0.00 175.26 175.77 1jxj s VAL 370 N -3.01 4.92 0.10 1.83 1.01 -1.26 -4.80 120.40 119.19 1jxj s VAL 370 Ca 0.60 1.37 0.03 0.00 0.00 0.00 0.00 61.98 63.98 1jxj s VAL 370 Cb -0.15 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1jxj s VAL 370 CO 0.55 0.00 0.13 0.42 0.00 0.00 0.00 175.10 176.20 1jxj s THR 371 N 2.48 4.72 -0.20 3.92 -4.23 -1.26 -4.96 115.64 116.11 1jxj s THR 371 Ca 0.31 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 60.02 1jxj s THR 371 Cb -0.16 -3.32 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 1jxj s THR 371 CO 0.09 0.07 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.59 1jxj s ILE 372 N -1.51 3.77 0.84 2.99 -1.09 -1.26 -0.05 121.20 124.89 1jxj s ILE 372 Ca 0.31 -0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 58.24 1jxj s ILE 372 Cb -0.12 -2.70 0.09 0.00 -1.58 0.00 0.00 42.46 38.16 1jxj s ILE 372 CO 0.24 0.43 1.09 0.20 -1.23 0.00 0.00 174.94 175.67 1jxj s ASN 373 N 1.06 4.03 0.51 3.58 0.01 0.94 -4.88 114.94 120.18 1jxj s ASN 373 Ca 0.02 1.47 0.19 0.00 -0.71 0.00 0.00 52.86 53.83 1jxj s ASN 373 Cb -0.14 -2.18 1.29 0.00 0.41 0.00 0.00 41.25 40.62 1jxj s ASN 373 CO 0.01 -2.28 2.10 -0.65 -1.51 0.00 0.00 177.10 174.77 1jxj h PRO 374 N -1.30 0.00 -0.58 -0.60 0.11 -2.00 0.23 132.00 127.86 1jxj h PRO 374 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1jxj h PRO 374 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1jxj h PRO 374 CO 0.56 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 1jxj n ASP 375 N -4.22 2.79 0.00 -2.05 5.75 -1.26 -4.88 116.55 112.68 1jxj n ASP 375 Ca -0.03 -2.24 0.00 0.00 -0.01 0.00 0.00 54.79 52.51 1jxj n ASP 375 Cb 0.16 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1jxj n ASP 375 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1jxj n THR 376 N 0.50 0.00 -1.87 2.12 -2.24 0.07 -5.03 114.28 107.83 1jxj n THR 376 Ca 0.14 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.62 1jxj n THR 376 Cb 0.54 -0.20 0.20 0.00 -2.10 0.00 0.00 70.33 68.77 1jxj n THR 376 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jxj s THR 377 N -2.54 1.96 0.15 4.28 -4.23 -1.26 -4.78 115.64 109.22 1jxj s THR 377 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1jxj s THR 377 Cb 0.00 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 1jxj s THR 377 CO 0.00 0.00 0.04 0.00 -0.54 0.00 0.00 174.62 174.12 1jxj n GLY 379 N 0.00 2.22 2.41 0.00 0.00 0.93 -4.70 105.19 106.06 1jxj n GLY 379 Ca -0.09 -2.08 -0.16 0.00 0.00 0.00 0.00 46.02 43.68 1jxj n GLY 379 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jxj n ASN 380 N -1.28 -4.76 -1.04 1.61 3.02 -1.26 -1.94 115.26 109.62 1jxj n ASN 380 Ca 0.00 0.12 -0.14 0.00 -0.03 0.00 0.00 54.58 54.53 1jxj n ASN 380 Cb 0.00 -4.01 -0.06 0.00 -0.61 0.00 0.00 39.78 35.10 1jxj n ASN 380 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jxj n ASP 381 N -1.85 -4.69 -4.71 6.41 8.00 -1.26 -4.70 116.55 113.75 1jxj n ASP 381 Ca -0.19 0.33 -0.39 0.00 0.71 0.00 0.00 54.79 55.25 1jxj n ASP 381 Cb 0.64 -3.38 -0.05 0.00 -0.02 0.00 0.00 41.12 38.30 1jxj n ASP 381 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1jxj s TRP 382 N -2.48 3.52 0.07 1.24 0.52 -0.82 0.11 118.94 121.11 1jxj s TRP 382 Ca 0.00 1.10 -0.15 0.00 0.02 0.00 0.00 56.10 57.07 1jxj s TRP 382 Cb 0.00 -2.74 -0.20 0.00 -1.15 0.00 0.00 33.47 29.38 1jxj s TRP 382 CO 0.00 0.06 1.22 0.28 0.02 0.00 0.00 176.95 178.53 1jxj h VAL 383 N 4.83 1.31 -6.02 4.03 2.07 -1.18 -3.41 116.25 117.87 1jxj h VAL 383 Ca -0.39 -2.08 -0.41 0.00 0.82 0.00 0.00 66.70 64.64 1jxj h VAL 383 Cb 1.18 2.25 0.07 0.00 -1.52 0.00 0.00 31.29 33.28 1jxj h VAL 383 CO 0.76 0.64 -0.81 0.00 0.02 0.00 0.00 177.57 178.18 1jxj h GLU 385 N -1.90 0.41 0.00 0.00 3.07 -1.88 0.13 114.58 114.41 1jxj h GLU 385 Ca -0.61 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.23 1jxj h GLU 385 Cb 1.36 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1jxj h GLU 385 CO 0.56 0.27 0.00 1.12 -1.40 0.00 0.00 179.01 179.56 1jxj h HIS 386 N 0.42 0.00 -0.00 4.33 2.07 -1.89 -1.52 115.15 118.56 1jxj h HIS 386 Ca 0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.98 1jxj h HIS 386 Cb 1.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.11 1jxj h HIS 386 CO -0.00 0.00 -0.91 0.54 -3.07 0.00 0.00 177.93 174.49 1jxj n ARG 387 N -2.30 0.12 -1.76 5.12 1.74 0.43 -3.93 116.66 116.08 1jxj n ARG 387 Ca 0.00 -0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.57 1jxj n ARG 387 Cb 0.13 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 1jxj n ARG 387 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1jxj s TRP 388 N -2.95 2.88 0.26 -1.55 0.51 -0.57 -4.80 118.94 112.72 1jxj s TRP 388 Ca 0.09 0.47 -0.02 0.00 -2.12 0.00 0.00 56.10 54.53 1jxj s TRP 388 Cb 0.16 -4.11 0.49 0.00 -0.81 0.00 0.00 33.47 29.21 1jxj s TRP 388 CO 0.83 -4.07 1.79 -0.09 -0.51 0.00 0.00 176.95 174.90 1jxj h ARG 389 N 6.32 0.70 0.00 4.98 2.43 -1.91 0.18 114.38 127.08 1jxj h ARG 389 Ca -0.44 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 1jxj h ARG 389 Cb 1.21 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1jxj h ARG 389 CO 0.91 0.47 -0.20 1.96 -1.51 0.00 0.00 179.97 181.60 1jxj h GLN 390 N 0.73 0.00 0.02 0.20 7.50 -1.83 0.60 115.11 122.33 1jxj h GLN 390 Ca 0.45 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 59.35 1jxj h GLN 390 Cb 0.54 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.04 1jxj h GLN 390 CO -0.31 0.20 -1.32 0.82 -1.50 0.00 0.00 178.83 176.72 1jxj h ILE 391 N 0.00 0.91 -0.92 2.54 2.04 -1.39 -3.27 117.51 117.42 1jxj h ILE 391 Ca -0.00 -2.22 0.12 0.00 1.00 0.00 0.00 64.86 63.76 1jxj h ILE 391 Cb 0.38 2.32 -0.08 0.00 -0.74 0.00 0.00 36.82 38.69 1jxj h ILE 391 CO 0.03 0.41 0.54 -0.09 0.00 0.00 0.00 178.15 179.05 1jxj h ARG 392 N -0.83 0.83 0.00 2.37 1.12 -0.59 -0.55 114.38 116.72 1jxj h ARG 392 Ca -0.34 -0.05 -0.08 0.00 -1.11 0.00 0.00 59.98 58.39 1jxj h ARG 392 Cb 1.41 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 31.17 1jxj h ARG 392 CO -0.15 0.55 -0.39 -0.91 -3.11 0.00 0.00 179.97 175.95 1jxj h ASN 393 N 0.85 0.00 1.15 -3.80 2.35 -1.05 -2.19 115.58 112.89 1jxj h ASN 393 Ca 0.46 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.09 1jxj h ASN 393 Cb 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1jxj h ASN 393 CO -0.28 0.39 -0.58 0.24 -1.65 0.00 0.00 177.43 175.55 1jxj h MET 394 N 0.00 0.00 -0.63 0.81 2.86 -1.21 -1.18 114.93 115.57 1jxj h MET 394 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1jxj h MET 394 Cb 0.72 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1jxj h MET 394 CO 0.05 0.58 0.38 0.28 1.06 0.00 0.00 176.91 179.26 1jxj h VAL 395 N 0.00 1.19 -0.39 -2.22 2.07 -0.55 -1.92 116.25 114.43 1jxj h VAL 395 Ca -0.01 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 66.97 1jxj h VAL 395 Cb 1.31 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1jxj h VAL 395 CO 0.08 0.19 -0.25 -1.13 0.02 0.00 0.00 177.57 176.48 1jxj h ASN 396 N 0.86 0.81 -0.51 0.57 -1.24 -1.23 -2.97 115.58 111.87 1jxj h ASN 396 Ca 0.23 -0.30 0.10 0.00 0.71 0.00 0.00 56.30 57.03 1jxj h ASN 396 Cb -0.02 -0.22 -0.09 0.00 0.73 0.00 0.00 38.32 38.73 1jxj h ASN 396 CO -0.04 1.02 -0.02 0.15 -1.29 0.00 0.00 177.43 177.26 1jxj h PHE 397 N 0.69 -0.06 -0.88 0.67 3.04 -0.82 0.49 116.94 120.07 1jxj h PHE 397 Ca 0.09 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 1jxj h PHE 397 Cb 0.77 0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.34 1jxj h PHE 397 CO 0.04 -0.13 0.53 -0.09 -2.02 0.00 0.00 178.31 176.64 1jxj h ARG 398 N 0.10 1.18 -0.30 1.11 2.43 -1.24 -0.75 114.38 116.91 1jxj h ARG 398 Ca 0.26 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1jxj h ARG 398 Cb 0.39 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1jxj h ARG 398 CO -0.44 0.82 0.14 -0.91 -1.51 0.00 0.00 179.97 178.08 1jxj h ASN 399 N 1.21 0.40 -0.29 -3.80 -0.26 -1.17 -2.19 115.58 109.47 1jxj h ASN 399 Ca 0.32 -0.13 -0.05 0.00 -0.56 0.00 0.00 56.30 55.87 1jxj h ASN 399 Cb -0.06 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.08 1jxj h ASN 399 CO -0.06 0.42 0.02 0.58 -1.06 0.00 0.00 177.43 177.33 1jxj h VAL 400 N 0.36 1.21 -0.51 2.81 2.07 -0.07 -2.91 116.25 119.20 1jxj h VAL 400 Ca 0.10 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1jxj h VAL 400 Cb 0.12 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1jxj h VAL 400 CO -0.01 0.28 0.00 1.33 0.02 0.00 0.00 177.57 179.19 1jxj n VAL 401 N -4.27 0.69 -1.58 2.57 0.24 -0.37 -4.96 118.33 110.65 1jxj n VAL 401 Ca 0.02 -0.84 -0.56 0.00 -2.04 0.00 0.00 64.34 60.91 1jxj n VAL 401 Cb 0.25 0.81 -0.07 0.00 -1.47 0.00 0.00 33.84 33.35 1jxj n VAL 401 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1jxj n ASP 402 N 1.51 1.04 0.00 -1.34 2.03 -0.83 -0.89 116.55 118.07 1jxj n ASP 402 Ca 0.21 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.65 1jxj n ASP 402 Cb 0.60 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 1jxj n ASP 402 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jxj n GLY 403 N 2.36 2.62 3.79 0.27 0.00 -1.26 -5.03 105.19 107.93 1jxj n GLY 403 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1jxj n GLY 403 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jxj s GLN 404 N -0.19 4.30 0.43 1.61 -1.52 -0.07 -5.03 119.66 119.18 1jxj s GLN 404 Ca 0.00 1.40 -0.22 0.00 -1.95 0.00 0.00 55.36 54.59 1jxj s GLN 404 Cb 0.00 -2.56 -0.10 0.00 -0.22 0.00 0.00 33.01 30.13 1jxj s GLN 404 CO 0.00 -0.00 1.00 -1.25 -0.25 0.00 0.00 175.29 174.79 1jxj s PRO 405 N -2.47 4.11 0.11 2.91 0.04 -1.26 -4.52 135.00 133.92 1jxj s PRO 405 Ca 0.56 1.31 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 1jxj s PRO 405 Cb -0.19 -2.30 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 1jxj s PRO 405 CO 0.24 -0.16 1.77 0.12 0.04 0.00 0.00 177.00 179.02 1jxj s PHE 406 N -1.93 2.26 0.31 0.56 5.36 -1.26 -0.29 117.98 122.98 1jxj s PHE 406 Ca 0.62 0.10 -0.15 0.00 -0.96 0.00 0.00 56.93 56.53 1jxj s PHE 406 Cb -0.15 -4.11 0.02 0.00 -0.34 0.00 0.00 43.02 38.44 1jxj s PHE 406 CO 0.20 -4.54 0.65 -0.08 -1.46 0.00 0.00 175.22 169.99 1jxj s THR 407 N 2.65 0.00 -1.51 0.12 -1.32 -0.10 -4.89 115.64 110.58 1jxj s THR 407 Ca 0.79 -1.18 -0.13 0.00 -1.21 0.00 0.00 61.69 59.95 1jxj s THR 407 Cb -0.44 -2.41 0.08 0.00 -1.51 0.00 0.00 72.50 68.21 1jxj s THR 407 CO 0.35 0.00 0.99 0.59 -2.21 0.00 0.00 174.62 174.34 1jxj n ASN 408 N -0.87 -5.03 -4.77 8.08 5.03 -1.26 -0.07 115.26 116.36 1jxj n ASN 408 Ca -0.04 -0.73 -0.40 0.00 0.87 0.00 0.00 54.58 54.28 1jxj n ASN 408 Cb 0.60 -4.01 -0.02 0.00 -1.02 0.00 0.00 39.78 35.33 1jxj n ASN 408 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 1jxj s TRP 409 N -3.29 3.04 0.03 3.10 -0.11 -1.26 -4.17 118.94 116.29 1jxj s TRP 409 Ca 0.65 1.45 0.02 0.00 1.22 0.00 0.00 56.10 59.45 1jxj s TRP 409 Cb -0.32 -3.62 -0.02 0.00 -1.50 0.00 0.00 33.47 28.01 1jxj s TRP 409 CO 0.80 -1.75 -0.08 -0.47 -4.62 0.00 0.00 176.95 170.83 1jxj s TYR 410 N -1.20 0.71 0.07 5.86 5.04 0.34 -4.96 117.35 123.20 1jxj s TYR 410 Ca 0.51 -0.37 -0.18 0.00 -2.44 0.00 0.00 57.07 54.59 1jxj s TYR 410 Cb -0.38 -0.43 0.04 0.00 0.35 0.00 0.00 41.96 41.54 1jxj s TYR 410 CO 0.50 -0.04 0.42 0.16 -1.34 0.00 0.00 175.55 175.24 1jxj s ASP 411 N -1.15 -0.28 -0.18 4.32 1.47 -1.26 -1.25 116.67 118.34 1jxj s ASP 411 Ca -0.05 -0.09 0.16 0.00 1.18 0.00 0.00 52.55 53.75 1jxj s ASP 411 Cb -0.08 0.45 0.72 0.00 -0.34 0.00 0.00 42.92 43.67 1jxj s ASP 411 CO 0.00 -0.73 1.64 -0.46 0.68 0.00 0.00 175.17 176.30 1jxj n ASN 412 N 0.26 5.01 0.00 2.11 6.94 -0.61 -4.90 115.26 124.07 1jxj n ASN 412 Ca -0.18 -2.79 0.00 0.00 -0.02 0.00 0.00 54.58 51.59 1jxj n ASN 412 Cb 0.61 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1jxj n ASN 412 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jxj n GLY 413 N 0.51 0.80 0.00 4.83 0.00 -1.26 -4.84 105.19 105.23 1jxj n GLY 413 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1jxj n GLY 413 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jxj n SER 414 N -0.01 0.00 -0.45 1.61 2.88 -1.26 -4.89 113.62 111.50 1jxj n SER 414 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1jxj n SER 414 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.54 1jxj n SER 414 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1jxj n ASN 415 N 0.00 1.12 -4.25 -3.46 3.02 -1.26 -2.03 115.26 108.39 1jxj n ASN 415 Ca 0.00 -2.57 -0.37 0.00 -0.03 0.00 0.00 54.58 51.61 1jxj n ASN 415 Cb 0.00 -0.32 -0.12 0.00 -0.61 0.00 0.00 39.78 38.72 1jxj n ASN 415 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jxj s GLN 416 N -1.34 2.57 0.13 3.52 -0.21 -1.26 -0.48 119.66 122.59 1jxj s GLN 416 Ca 0.18 -1.22 0.03 0.00 0.02 0.00 0.00 55.36 54.38 1jxj s GLN 416 Cb 0.17 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.71 1jxj s GLN 416 CO -0.01 -0.68 -0.08 0.14 -2.12 0.00 0.00 175.29 172.54 1jxj s VAL 417 N 1.37 0.98 0.07 1.09 -7.23 -0.88 -1.58 120.40 114.24 1jxj s VAL 417 Ca -0.02 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 57.99 1jxj s VAL 417 Cb -0.20 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 34.96 1jxj s VAL 417 CO 0.02 -0.77 0.34 0.00 -0.31 0.00 0.00 175.10 174.37 1jxj s ALA 418 N -3.44 -0.75 0.14 1.32 0.00 -0.38 -0.58 121.76 118.07 1jxj s ALA 418 Ca 0.15 -0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.84 1jxj s ALA 418 Cb 0.04 0.45 0.07 0.00 0.00 0.00 0.00 23.12 23.68 1jxj s ALA 418 CO -0.01 -0.50 0.66 -0.59 0.00 0.00 0.00 175.76 175.32 1jxj s PHE 419 N -3.06 -0.48 0.36 0.00 -0.12 -0.46 -0.51 117.98 113.71 1jxj s PHE 419 Ca -0.01 0.27 0.08 0.00 -0.05 0.00 0.00 56.93 57.22 1jxj s PHE 419 Cb 0.01 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 1jxj s PHE 419 CO -0.07 -0.82 0.08 0.20 -0.05 0.00 0.00 175.22 174.57 1jxj s GLY 420 N -2.71 2.12 -0.32 1.99 0.00 0.89 -0.85 107.32 108.44 1jxj s GLY 420 Ca 0.02 -1.98 0.03 0.00 0.00 0.00 0.00 44.72 42.79 1jxj s GLY 420 CO -0.11 -1.88 0.05 0.50 0.00 0.00 0.00 173.10 171.66 1jxj s ARG 421 N -3.79 1.36 2.68 2.90 1.81 -0.20 -0.92 118.95 122.79 1jxj s ARG 421 Ca 0.37 -1.63 0.00 0.00 -1.72 0.00 0.00 55.73 52.74 1jxj s ARG 421 Cb 0.01 -2.90 0.00 0.00 -0.45 0.00 0.00 34.95 31.61 1jxj s ARG 421 CO 0.21 -0.91 0.00 0.41 -0.68 0.00 0.00 175.30 174.32 1jxj n GLY 422 N 4.41 2.90 1.21 -3.53 0.00 0.60 -1.50 105.19 109.27 1jxj n GLY 422 Ca 0.01 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1jxj n GLY 422 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jxj n ASN 423 N 2.30 3.94 -0.00 1.61 2.04 -1.26 -4.63 115.26 119.26 1jxj n ASN 423 Ca 0.00 -3.18 0.03 0.00 -0.44 0.00 0.00 54.58 50.98 1jxj n ASN 423 Cb 0.00 -0.61 -0.04 0.00 -2.53 0.00 0.00 39.78 36.61 1jxj n ASN 423 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1jxj n ARG 424 N -0.48 3.43 -3.52 -3.83 1.74 -0.56 -4.57 116.66 108.87 1jxj n ARG 424 Ca 0.27 -0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 57.20 1jxj n ARG 424 Cb 1.03 -0.90 -0.04 0.00 -1.02 0.00 0.00 32.46 31.53 1jxj n ARG 424 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1jxj s GLY 425 N -1.93 -0.51 -0.13 -0.13 0.00 -1.10 -0.28 107.32 103.25 1jxj s GLY 425 Ca 0.01 0.64 -0.12 0.00 0.00 0.00 0.00 44.72 45.25 1jxj s GLY 425 CO 0.24 0.33 0.35 -0.12 0.00 0.00 0.00 173.10 173.89 1jxj s PHE 426 N -2.76 -0.37 0.01 1.90 5.36 -0.28 -1.03 117.98 120.80 1jxj s PHE 426 Ca -0.04 0.90 0.01 0.00 -0.96 0.00 0.00 56.93 56.85 1jxj s PHE 426 Cb -0.00 0.13 -0.01 0.00 -0.34 0.00 0.00 43.02 42.79 1jxj s PHE 426 CO -0.04 -0.19 -0.03 -1.50 -1.46 0.00 0.00 175.22 172.00 1jxj s ILE 427 N 0.13 0.20 -0.04 3.12 2.07 -0.03 -1.31 121.20 125.35 1jxj s ILE 427 Ca -0.01 -0.46 0.02 0.00 -1.41 0.00 0.00 60.65 58.79 1jxj s ILE 427 Cb -0.03 -0.25 0.01 0.00 0.13 0.00 0.00 42.46 42.33 1jxj s ILE 427 CO 0.01 -0.17 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.11 1jxj s VAL 428 N -0.64 0.70 -0.07 4.00 1.01 0.17 -1.36 120.40 124.21 1jxj s VAL 428 Ca -0.05 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1jxj s VAL 428 Cb -0.05 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1jxj s VAL 428 CO -0.00 0.25 -0.20 -0.36 0.00 0.00 0.00 175.10 174.78 1jxj s PHE 429 N 0.60 2.08 -0.35 5.22 0.40 0.26 -1.19 117.98 125.00 1jxj s PHE 429 Ca -0.09 -0.73 -0.00 0.00 -0.60 0.00 0.00 56.93 55.51 1jxj s PHE 429 Cb -0.12 -1.41 0.09 0.00 0.51 0.00 0.00 43.02 42.09 1jxj s PHE 429 CO 0.01 -0.28 0.08 1.21 0.70 0.00 0.00 175.22 176.94 1jxj s ASN 430 N 0.22 4.95 -0.22 1.36 2.47 -0.00 -2.06 114.94 121.66 1jxj s ASN 430 Ca -0.11 -1.80 0.13 0.00 0.42 0.00 0.00 52.86 51.51 1jxj s ASN 430 Cb -0.15 -1.72 0.46 0.00 -1.45 0.00 0.00 41.25 38.40 1jxj s ASN 430 CO 0.05 -0.39 1.36 -3.20 -3.72 0.00 0.00 177.10 171.20 1jxj n ASN 431 N 4.50 2.74 -4.97 -4.21 5.15 0.37 -4.80 115.26 114.04 1jxj n ASN 431 Ca -0.05 -3.46 -0.19 0.00 -0.60 0.00 0.00 54.58 50.29 1jxj n ASN 431 Cb 0.42 -0.56 -0.01 0.00 -0.53 0.00 0.00 39.78 39.11 1jxj n ASN 431 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1jxj s ASP 432 N -2.52 5.78 -0.24 1.20 1.01 -1.25 -4.80 116.67 115.84 1jxj s ASP 432 Ca 0.41 -0.30 -0.00 0.00 0.71 0.00 0.00 52.55 53.36 1jxj s ASP 432 Cb 0.36 -1.04 0.21 0.00 1.01 0.00 0.00 42.92 43.46 1jxj s ASP 432 CO 0.02 -0.51 1.83 0.47 0.21 0.00 0.00 175.17 177.18 1jxj n ASP 433 N -1.66 5.42 -3.85 0.27 8.00 -1.26 -4.69 116.55 118.78 1jxj n ASP 433 Ca 0.02 -2.87 -0.08 0.00 0.71 0.00 0.00 54.79 52.56 1jxj n ASP 433 Cb 0.59 -0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 1jxj n ASP 433 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1jxj s TRP 434 N -1.48 -0.05 0.54 1.24 -2.14 -1.26 -4.98 118.94 110.80 1jxj s TRP 434 Ca 0.25 -0.35 -0.17 0.00 2.66 0.00 0.00 56.10 58.50 1jxj s TRP 434 Cb 0.20 0.51 -0.06 0.00 -3.10 0.00 0.00 33.47 31.02 1jxj s TRP 434 CO 0.01 -1.10 1.01 0.95 -2.66 0.00 0.00 176.95 175.17 1jxj s THR 435 N -3.93 4.21 -0.39 0.66 -4.23 -1.26 -4.13 115.64 106.57 1jxj s THR 435 Ca 0.13 1.09 -0.10 0.00 -1.18 0.00 0.00 61.69 61.63 1jxj s THR 435 Cb -0.03 -3.57 0.05 0.00 1.34 0.00 0.00 72.50 70.28 1jxj s THR 435 CO 0.05 -0.58 0.22 0.12 -0.54 0.00 0.00 174.62 173.89 1jxj s PHE 436 N -2.51 3.28 -0.19 3.99 2.19 -0.57 -4.96 117.98 119.22 1jxj s PHE 436 Ca 0.61 -1.26 -0.03 0.00 0.33 0.00 0.00 56.93 56.59 1jxj s PHE 436 Cb -0.13 -2.65 0.06 0.00 -1.31 0.00 0.00 43.02 39.00 1jxj s PHE 436 CO 0.32 -0.75 0.03 0.45 1.83 0.00 0.00 175.22 177.11 1jxj s SER 437 N 1.79 2.83 -0.12 6.13 0.15 -1.26 0.32 113.70 123.55 1jxj s SER 437 Ca 0.02 -0.77 -0.30 0.00 0.70 0.00 0.00 55.95 55.59 1jxj s SER 437 Cb -0.21 -0.59 0.11 0.00 -1.71 0.00 0.00 66.02 63.61 1jxj s SER 437 CO 0.04 -0.30 0.88 -0.22 1.20 0.00 0.00 173.24 174.85 1jxj s LEU 438 N 1.86 -0.47 -0.17 3.45 2.96 -0.38 -5.01 118.68 120.92 1jxj s LEU 438 Ca -0.01 0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 54.26 1jxj s LEU 438 Cb -0.17 2.10 -0.05 0.00 0.50 0.00 0.00 46.19 48.58 1jxj s LEU 438 CO -0.08 -0.45 0.29 -0.89 -1.32 0.00 0.00 176.35 173.90 1jxj s THR 439 N -1.22 5.30 0.07 3.68 2.01 -1.26 -1.26 115.64 122.96 1jxj s THR 439 Ca -0.05 0.52 0.06 0.00 0.31 0.00 0.00 61.69 62.54 1jxj s THR 439 Cb -0.00 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1jxj s THR 439 CO 0.04 0.37 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.41 1jxj s LEU 440 N 0.61 2.25 -0.15 4.42 1.43 0.95 -4.89 118.68 123.31 1jxj s LEU 440 Ca 0.16 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.36 1jxj s LEU 440 Cb -0.13 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 1jxj s LEU 440 CO 0.04 0.01 1.30 -1.58 0.23 0.00 0.00 176.35 176.35 1jxj s GLN 441 N -1.62 4.23 -0.02 1.70 2.00 -1.26 -0.86 119.66 123.82 1jxj s GLN 441 Ca 0.02 1.71 0.21 0.00 -2.00 0.00 0.00 55.36 55.31 1jxj s GLN 441 Cb -0.09 -3.78 -0.30 0.00 0.80 0.00 0.00 33.01 29.64 1jxj s GLN 441 CO 0.03 -0.71 0.61 0.25 -0.50 0.00 0.00 175.29 174.97 1jxj n THR 442 N 5.36 0.00 -0.81 -0.34 -2.24 0.53 -4.94 114.28 111.84 1jxj n THR 442 Ca 0.14 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1jxj n THR 442 Cb 0.45 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1jxj n THR 442 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jxj n GLY 443 N 1.36 1.13 3.94 3.38 0.00 -1.25 -4.73 105.19 109.02 1jxj n GLY 443 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1jxj n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jxj s LEU 444 N 0.00 4.27 0.64 0.99 1.43 -1.26 -4.32 118.68 120.43 1jxj s LEU 444 Ca 0.00 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.18 1jxj s LEU 444 Cb 0.00 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1jxj s LEU 444 CO 0.00 -0.02 1.23 -2.65 0.23 0.00 0.00 176.35 175.14 1jxj n PRO 445 N -0.79 1.08 -1.80 1.29 -0.02 -1.26 -4.40 135.00 129.10 1jxj n PRO 445 Ca -0.06 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.45 1jxj n PRO 445 Cb 0.54 -2.46 0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1jxj n PRO 445 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jxj s ALA 446 N -1.41 2.90 0.00 3.55 0.00 -1.26 -4.88 121.76 120.67 1jxj s ALA 446 Ca 0.81 1.34 0.00 0.00 0.00 0.00 0.00 51.96 54.12 1jxj s ALA 446 Cb -0.39 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1jxj s ALA 446 CO 0.42 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1jxj n GLY 447 N 0.69 -2.36 3.66 0.00 0.00 0.65 -4.97 105.19 102.86 1jxj n GLY 447 Ca 0.09 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 1jxj n GLY 447 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jxj s THR 448 N -2.13 5.31 -0.08 2.61 2.01 -1.26 -0.12 115.64 121.98 1jxj s THR 448 Ca 0.00 0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.39 1jxj s THR 448 Cb 0.00 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1jxj s THR 448 CO 0.00 0.31 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.72 1jxj s TYR 449 N 1.17 2.58 0.12 4.92 1.51 0.23 -0.73 117.35 127.14 1jxj s TYR 449 Ca 0.11 -0.67 -0.30 0.00 -1.01 0.00 0.00 57.07 55.20 1jxj s TYR 449 Cb -0.14 -1.67 -0.07 0.00 -0.11 0.00 0.00 41.96 39.97 1jxj s TYR 449 CO 0.06 -0.19 1.23 0.00 -1.11 0.00 0.00 175.55 175.54 1jxj s ASP 451 N 0.71 6.93 0.00 0.00 2.15 -0.24 -4.61 116.67 121.61 1jxj s ASP 451 Ca 0.57 1.89 0.28 0.00 0.43 0.00 0.00 52.55 55.73 1jxj s ASP 451 Cb -0.32 -2.55 1.00 0.00 -0.30 0.00 0.00 42.92 40.75 1jxj s ASP 451 CO 0.32 -0.70 1.72 1.33 -0.17 0.00 0.00 175.17 177.67 1jxj n VAL 452 N 4.92 0.00 -0.06 1.11 0.24 -0.29 -2.38 118.33 121.86 1jxj n VAL 452 Ca 0.13 -0.24 -0.04 0.00 -2.04 0.00 0.00 64.34 62.14 1jxj n VAL 452 Cb 0.45 0.51 -0.04 0.00 -1.47 0.00 0.00 33.84 33.29 1jxj n VAL 452 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1jxj h ILE 453 N 2.28 0.48 -0.31 1.34 1.08 -1.87 -3.38 117.51 117.12 1jxj h ILE 453 Ca 0.00 -1.38 -0.06 0.00 -0.39 0.00 0.00 64.86 63.04 1jxj h ILE 453 Cb 0.51 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 1jxj h ILE 453 CO 0.00 0.16 -0.05 0.77 -0.69 0.00 0.00 178.15 178.34 1jxj h SER 454 N -1.00 0.48 0.00 1.72 4.64 -1.86 -3.40 113.55 114.13 1jxj h SER 454 Ca -0.01 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1jxj h SER 454 Cb 0.32 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1jxj h SER 454 CO -0.01 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 1jxj n GLY 455 N -0.79 3.08 3.02 -0.77 0.00 -1.00 -4.49 105.19 104.24 1jxj n GLY 455 Ca 0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 1jxj n GLY 455 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jxj s ASP 456 N 2.00 0.39 -0.04 1.61 1.01 -1.26 -4.13 116.67 116.24 1jxj s ASP 456 Ca 0.00 -0.61 -0.27 0.00 0.71 0.00 0.00 52.55 52.38 1jxj s ASP 456 Cb 0.00 0.11 -0.03 0.00 1.01 0.00 0.00 42.92 44.01 1jxj s ASP 456 CO 0.00 -0.35 0.87 -0.75 0.21 0.00 0.00 175.17 175.15 1jxj s LYS 457 N -1.98 4.49 -0.09 8.23 2.20 -1.26 -1.09 119.74 130.23 1jxj s LYS 457 Ca -0.10 1.19 -0.04 0.00 -0.36 0.00 0.00 55.97 56.66 1jxj s LYS 457 Cb -0.06 -3.47 0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1jxj s LYS 457 CO -0.03 -0.05 0.21 0.42 -0.36 0.00 0.00 175.35 175.55 1jxj s ILE 458 N 1.08 -0.08 -1.29 5.43 1.01 0.69 -4.98 121.20 123.06 1jxj s ILE 458 Ca 0.46 0.18 -0.20 0.00 0.00 0.00 0.00 60.65 61.09 1jxj s ILE 458 Cb -0.19 -0.34 0.02 0.00 0.01 0.00 0.00 42.46 41.96 1jxj s ILE 458 CO 0.23 0.07 0.54 0.59 0.00 0.00 0.00 174.94 176.37 1jxj n ASN 459 N 4.36 -2.83 0.00 3.58 3.02 -1.26 -0.94 115.26 121.19 1jxj n ASN 459 Ca -0.23 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 1jxj n ASN 459 Cb 0.52 -2.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.43 1jxj n ASN 459 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jxj n GLY 460 N -2.08 0.53 3.21 7.41 0.00 -1.26 -4.99 105.19 108.01 1jxj n GLY 460 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 1jxj n GLY 460 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jxj n ASN 461 N -0.13 -0.61 -4.49 1.61 2.85 -0.12 -5.00 115.26 109.37 1jxj n ASN 461 Ca 0.00 -3.19 -0.33 0.00 -0.11 0.00 0.00 54.58 50.96 1jxj n ASN 461 Cb 0.06 1.64 -0.13 0.00 1.24 0.00 0.00 39.78 42.60 1jxj n ASN 461 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jxj n THR 463 N 2.15 0.00 -1.29 0.00 -2.24 -0.25 -4.92 114.28 107.73 1jxj n THR 463 Ca -0.17 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1jxj n THR 463 Cb 0.52 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1jxj n THR 463 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jxj n GLY 464 N 1.25 5.24 3.78 3.38 0.00 -1.26 -4.74 105.19 112.84 1jxj n GLY 464 Ca 0.16 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 1jxj n GLY 464 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jxj s ILE 465 N 2.29 3.52 -0.06 -0.61 1.01 -1.26 -4.90 121.20 121.19 1jxj s ILE 465 Ca 0.00 1.04 0.03 0.00 0.00 0.00 0.00 60.65 61.72 1jxj s ILE 465 Cb 0.00 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1jxj s ILE 465 CO 0.00 -0.11 -0.13 -0.54 0.00 0.00 0.00 174.94 174.16 1jxj s LYS 466 N -2.94 2.67 -0.10 2.79 1.02 -1.26 -1.08 119.74 120.84 1jxj s LYS 466 Ca 0.65 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.99 1jxj s LYS 466 Cb -0.22 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 1jxj s LYS 466 CO 0.26 0.57 -0.18 0.42 -0.92 0.00 0.00 175.35 175.49 1jxj s ILE 467 N -0.58 2.60 -0.37 2.17 -1.09 -0.01 -4.95 121.20 118.98 1jxj s ILE 467 Ca 0.08 -0.84 -0.08 0.00 -2.23 0.00 0.00 60.65 57.58 1jxj s ILE 467 Cb -0.11 -2.03 0.05 0.00 -1.58 0.00 0.00 42.46 38.78 1jxj s ILE 467 CO 0.01 0.55 0.16 -0.31 -1.23 0.00 0.00 174.94 174.13 1jxj s TYR 468 N 0.10 3.28 -0.24 3.97 2.02 -1.26 -0.61 117.35 124.61 1jxj s TYR 468 Ca -0.09 -1.36 -0.15 0.00 -0.37 0.00 0.00 57.07 55.11 1jxj s TYR 468 Cb -0.15 -2.47 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 1jxj s TYR 468 CO 0.05 -0.74 0.35 0.08 -1.57 0.00 0.00 175.55 173.72 1jxj s VAL 469 N 1.44 5.21 0.42 0.71 1.01 0.83 -4.38 120.40 125.64 1jxj s VAL 469 Ca 0.00 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1jxj s VAL 469 Cb -0.20 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.58 1jxj s VAL 469 CO 0.03 0.22 0.58 -1.54 0.00 0.00 0.00 175.10 174.39 1jxj n SER 470 N 4.87 0.86 0.09 3.32 3.41 -0.81 -0.25 113.62 125.11 1jxj n SER 470 Ca -0.09 -1.71 0.19 0.00 -0.26 0.00 0.00 58.87 57.00 1jxj n SER 470 Cb 0.51 -0.37 0.74 0.00 -0.26 0.00 0.00 64.21 64.83 1jxj n SER 470 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1jxj h ASP 471 N -0.30 0.00 -0.33 4.04 3.32 -1.96 0.80 116.42 121.98 1jxj h ASP 471 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1jxj h ASP 471 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1jxj h ASP 471 CO 0.21 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.83 1jxj n ASP 472 N -4.06 2.38 0.00 6.45 5.68 -1.26 -4.81 116.55 120.93 1jxj n ASP 472 Ca 0.06 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 1jxj n ASP 472 Cb 0.51 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1jxj n ASP 472 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jxj n GLY 473 N 1.26 0.84 3.86 6.12 0.00 0.27 -4.89 105.19 112.65 1jxj n GLY 473 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1jxj n GLY 473 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jxj s LYS 474 N -0.30 3.89 -0.03 1.61 1.02 -1.26 -0.35 119.74 124.33 1jxj s LYS 474 Ca 0.00 0.43 -0.11 0.00 0.02 0.00 0.00 55.97 56.31 1jxj s LYS 474 Cb 0.00 -2.64 0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1jxj s LYS 474 CO 0.00 0.30 0.24 0.00 -0.92 0.00 0.00 175.35 174.97 1jxj s ALA 475 N -1.80 -0.59 -0.09 5.17 0.00 -0.04 -1.93 121.76 122.48 1jxj s ALA 475 Ca 0.48 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.49 1jxj s ALA 475 Cb -0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1jxj s ALA 475 CO 0.20 -0.21 0.61 -1.58 0.00 0.00 0.00 175.76 174.78 1jxj s HIS 476 N -0.97 3.54 -0.03 0.00 2.46 -1.26 -0.03 115.29 119.00 1jxj s HIS 476 Ca -0.10 1.10 0.07 0.00 0.47 0.00 0.00 55.06 56.59 1jxj s HIS 476 Cb -0.05 -2.71 -0.02 0.00 -0.13 0.00 0.00 32.58 29.67 1jxj s HIS 476 CO 0.02 0.11 -0.24 -0.06 -2.47 0.00 0.00 174.74 172.11 1jxj s PHE 477 N 0.77 2.41 -0.18 3.88 0.40 -0.39 -4.78 117.98 120.09 1jxj s PHE 477 Ca 0.33 -0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1jxj s PHE 477 Cb -0.17 -1.53 0.06 0.00 0.51 0.00 0.00 43.02 41.89 1jxj s PHE 477 CO 0.15 0.00 0.04 0.45 0.70 0.00 0.00 175.22 176.56 1jxj s SER 478 N -0.62 2.75 -0.22 1.36 0.15 -1.25 -1.24 113.70 114.63 1jxj s SER 478 Ca 0.10 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1jxj s SER 478 Cb -0.10 -0.54 0.06 0.00 -1.71 0.00 0.00 66.02 63.73 1jxj s SER 478 CO -0.01 -0.31 -0.05 -0.63 1.20 0.00 0.00 173.24 173.45 1jxj s ILE 479 N 1.90 1.41 0.50 6.45 1.01 0.15 -4.97 121.20 127.65 1jxj s ILE 479 Ca -0.00 -1.07 -0.22 0.00 0.00 0.00 0.00 60.65 59.35 1jxj s ILE 479 Cb -0.17 -1.66 -0.06 0.00 0.01 0.00 0.00 42.46 40.58 1jxj s ILE 479 CO -0.08 -0.06 1.23 -0.55 0.00 0.00 0.00 174.94 175.48 1jxj s SER 480 N 1.46 5.82 0.13 3.58 0.15 -1.26 -1.51 113.70 122.07 1jxj s SER 480 Ca -0.04 2.45 0.20 0.00 0.70 0.00 0.00 55.95 59.26 1jxj s SER 480 Cb -0.18 -2.61 0.83 0.00 -1.71 0.00 0.00 66.02 62.35 1jxj s SER 480 CO -0.07 -1.17 1.63 -0.46 1.20 0.00 0.00 173.24 174.37 1jxj n ASN 481 N -0.74 0.35 -0.83 5.45 6.94 -1.26 -1.57 115.26 123.60 1jxj n ASN 481 Ca 0.09 0.58 0.10 0.00 -0.02 0.00 0.00 54.58 55.32 1jxj n ASN 481 Cb 0.47 -0.65 0.27 0.00 -2.36 0.00 0.00 39.78 37.51 1jxj n ASN 481 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1jxj n SER 482 N -1.87 2.46 -4.75 0.53 3.41 -1.26 -4.93 113.62 107.19 1jxj n SER 482 Ca 0.03 -1.90 -0.41 0.00 -0.26 0.00 0.00 58.87 56.33 1jxj n SER 482 Cb 0.23 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1jxj n SER 482 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jxj s ALA 483 N -1.54 3.61 0.36 7.33 0.00 -0.61 -4.90 121.76 126.02 1jxj s ALA 483 Ca 0.34 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.73 1jxj s ALA 483 Cb 0.18 -3.56 0.69 0.00 0.00 0.00 0.00 23.12 20.44 1jxj s ALA 483 CO 0.26 -0.79 1.95 0.93 0.00 0.00 0.00 175.76 178.10 1jxj h GLU 484 N 4.45 0.54 -3.47 0.00 5.08 -1.91 -3.32 114.58 115.96 1jxj h GLU 484 Ca -0.47 -0.08 -0.62 0.00 -1.00 0.00 0.00 59.36 57.19 1jxj h GLU 484 Cb 1.22 -0.10 -0.40 0.00 0.50 0.00 0.00 28.75 29.97 1jxj h GLU 484 CO 0.74 0.48 -0.71 -0.51 -1.00 0.00 0.00 179.01 178.01 1jxj s ASP 485 N -6.71 4.06 -0.48 1.42 1.01 -1.26 -4.82 116.67 109.89 1jxj s ASP 485 Ca -0.08 -2.44 -0.06 0.00 0.71 0.00 0.00 52.55 50.68 1jxj s ASP 485 Cb 0.16 -1.24 -0.10 0.00 1.01 0.00 0.00 42.92 42.76 1jxj s ASP 485 CO 0.75 -0.31 3.14 -0.81 0.21 0.00 0.00 175.17 178.16 1jxj n PRO 486 N 3.82 2.59 -3.59 8.23 -0.04 -1.25 -4.78 135.00 139.98 1jxj n PRO 486 Ca 0.05 -1.83 -0.17 0.00 -0.04 0.00 0.00 63.50 61.51 1jxj n PRO 486 Cb 0.37 -2.21 -0.07 0.00 -0.04 0.00 0.00 33.50 31.55 1jxj n PRO 486 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1jxj s PHE 487 N 0.02 -0.52 0.04 0.54 -0.71 -1.26 -0.82 117.98 115.28 1jxj s PHE 487 Ca 0.63 0.86 0.05 0.00 -1.04 0.00 0.00 56.93 57.43 1jxj s PHE 487 Cb 0.31 0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 42.42 1jxj s PHE 487 CO -0.09 -0.55 -0.14 0.42 -1.34 0.00 0.00 175.22 173.52 1jxj s ILE 488 N -1.27 1.08 -0.08 -4.49 1.01 -0.33 -4.75 121.20 112.37 1jxj s ILE 488 Ca -0.12 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 59.46 1jxj s ILE 488 Cb -0.02 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.50 1jxj s ILE 488 CO 0.08 -0.02 0.20 0.00 0.00 0.00 0.00 174.94 175.20 1jxj s ALA 489 N -0.89 -0.47 0.07 9.38 0.00 -1.26 -0.66 121.76 127.93 1jxj s ALA 489 Ca 0.01 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.67 1jxj s ALA 489 Cb -0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1jxj s ALA 489 CO 0.01 -0.13 -0.09 0.96 0.00 0.00 0.00 175.76 176.52 1jxj s ILE 490 N 0.51 0.76 0.33 0.00 -4.36 -0.43 -1.14 121.20 116.87 1jxj s ILE 490 Ca -0.03 -1.40 -0.08 0.00 -0.26 0.00 0.00 60.65 58.88 1jxj s ILE 490 Cb -0.05 -1.04 0.01 0.00 1.25 0.00 0.00 42.46 42.63 1jxj s ILE 490 CO -0.03 -0.48 0.55 -1.38 0.24 0.00 0.00 174.94 173.85 1jxj s HIS 491 N -1.99 0.68 0.45 1.37 -3.43 -1.26 -1.13 115.29 109.97 1jxj s HIS 491 Ca -0.01 -1.04 0.19 0.00 -0.80 0.00 0.00 55.06 53.39 1jxj s HIS 491 Cb -0.06 0.20 1.15 0.00 -1.43 0.00 0.00 32.58 32.44 1jxj s HIS 491 CO -0.00 -1.21 1.91 0.00 -2.00 0.00 0.00 174.74 173.44 1jxj h ALA 492 N 2.11 2.26 -0.26 -1.38 0.00 -0.97 -0.29 119.26 120.73 1jxj h ALA 492 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1jxj h ALA 492 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1jxj h ALA 492 CO 0.38 -0.48 0.00 0.39 0.00 0.00 0.00 179.25 179.55 1jxj n GLU 493 N -4.45 2.07 -0.15 0.00 1.02 -1.26 -3.49 120.64 114.37 1jxj n GLU 493 Ca 0.15 -1.62 0.09 0.00 -0.02 0.00 0.00 57.16 55.77 1jxj n GLU 493 Cb 0.62 -1.44 0.17 0.00 -0.02 0.00 0.00 31.44 30.76 1jxj n GLU 493 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1jxj n SER 494 N 0.84 3.04 -4.73 1.62 3.41 -0.13 -4.96 113.62 112.72 1jxj n SER 494 Ca 0.17 -1.88 -0.41 0.00 -0.26 0.00 0.00 58.87 56.49 1jxj n SER 494 Cb 0.45 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1jxj n SER 494 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1jxj s LYS 495 N -1.24 4.64 0.00 4.33 2.20 -1.19 -0.22 119.74 128.25 1jxj s LYS 495 Ca 0.30 1.58 0.29 0.00 -0.36 0.00 0.00 55.97 57.79 1jxj s LYS 495 Cb 0.18 -3.33 1.75 0.00 -1.51 0.00 0.00 37.83 34.92 1jxj s LYS 495 CO 0.24 0.13 2.09 1.28 -0.36 0.00 0.00 175.35 178.73