#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqj s ILE 2 N 0.00 4.41 -0.21 1.12 1.09 -1.21 -5.01 121.20 121.39 1jqj s ILE 2 Ca 0.00 -0.20 -0.13 0.00 -1.10 0.00 0.00 60.65 59.22 1jqj s ILE 2 Cb 0.00 -3.10 -0.05 0.00 -1.06 0.00 0.00 42.46 38.25 1jqj s ILE 2 CO 0.00 0.28 0.27 -0.13 -0.10 0.00 0.00 174.94 175.27 1jqj s ARG 3 N 1.62 4.16 0.24 2.79 0.52 -1.26 -0.32 118.95 126.69 1jqj s ARG 3 Ca 0.06 -0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.28 1jqj s ARG 3 Cb -0.16 -3.50 -0.05 0.00 0.52 0.00 0.00 34.95 31.76 1jqj s ARG 3 CO 0.04 0.08 0.04 -1.17 0.02 0.00 0.00 175.30 174.31 1jqj s LEU 4 N 0.97 1.98 -0.03 2.53 2.96 0.63 -4.97 118.68 122.75 1jqj s LEU 4 Ca 0.14 -1.28 0.07 0.00 -0.22 0.00 0.00 54.13 52.83 1jqj s LEU 4 Cb -0.14 -0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.39 1jqj s LEU 4 CO 0.05 -0.61 -0.22 -0.31 -1.32 0.00 0.00 176.35 173.94 1jqj s TYR 5 N -3.57 2.45 0.20 5.38 4.12 -1.26 -1.84 117.35 122.84 1jqj s TYR 5 Ca 0.31 -0.35 0.12 0.00 0.02 0.00 0.00 57.07 57.18 1jqj s TYR 5 Cb 0.07 -1.54 0.73 0.00 -1.52 0.00 0.00 41.96 39.70 1jqj s TYR 5 CO 0.10 0.03 0.84 -2.30 0.02 0.00 0.00 175.55 174.25 1jqj n PRO 6 N 2.40 -0.03 -1.01 -1.71 -0.02 -1.26 0.15 135.00 133.52 1jqj n PRO 6 Ca -0.16 0.73 -0.21 0.00 -2.02 0.00 0.00 63.50 61.83 1jqj n PRO 6 Cb 0.51 -1.33 0.05 0.00 -0.02 0.00 0.00 33.50 32.72 1jqj n PRO 6 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1jqj n GLU 7 N -4.15 2.03 0.00 -0.52 0.00 -1.26 -3.14 120.64 113.60 1jqj n GLU 7 Ca 0.20 -2.00 0.00 0.00 0.00 0.00 0.00 57.16 55.37 1jqj n GLU 7 Cb 0.71 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 30.36 1jqj n GLU 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1jqj n GLN 8 N 0.04 2.32 0.08 3.44 6.02 0.41 -4.96 117.38 124.74 1jqj n GLN 8 Ca 0.38 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.33 1jqj n GLN 8 Cb 0.60 -0.19 -0.02 0.00 1.02 0.00 0.00 30.24 31.64 1jqj n GLN 8 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jqj h LEU 9 N 0.00 -0.33 -1.77 1.08 5.85 -1.46 -2.48 115.31 116.21 1jqj h LEU 9 Ca 0.00 0.02 0.54 0.00 0.84 0.00 0.00 57.88 59.28 1jqj h LEU 9 Cb 0.00 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.04 1jqj h LEU 9 CO 0.00 -0.17 1.24 0.54 -0.34 0.00 0.00 178.44 179.71 1jqj n ARG 10 N -3.03 -0.01 0.00 1.25 1.74 -1.26 -1.48 116.66 113.87 1jqj n ARG 10 Ca -0.03 1.11 0.00 0.00 -0.77 0.00 0.00 57.85 58.16 1jqj n ARG 10 Cb 0.12 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 1jqj n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jqj n ALA 11 N -2.79 -0.12 0.25 7.54 0.00 -0.97 -2.53 120.51 121.88 1jqj n ALA 11 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1jqj n ALA 11 Cb 1.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.30 1jqj n ALA 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jqj n GLN 12 N -1.62 0.25 0.00 0.00 1.13 -0.55 0.11 117.38 116.69 1jqj n GLN 12 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1jqj n GLN 12 Cb 0.00 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 28.98 1jqj n GLN 12 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1jqj n LEU 13 N 0.87 0.00 -0.05 1.08 7.94 -0.75 -4.70 117.00 121.40 1jqj n LEU 13 Ca 0.00 -0.07 -0.10 0.00 -1.11 0.00 0.00 56.01 54.73 1jqj n LEU 13 Cb 0.12 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.93 1jqj n LEU 13 CO 0.00 0.00 -0.77 0.59 -1.11 0.00 0.00 177.39 176.10 1jqj n ASN 14 N -0.48 0.74 0.16 1.96 4.13 0.29 -3.96 115.26 118.11 1jqj n ASN 14 Ca 0.00 0.25 0.03 0.00 1.68 0.00 0.00 54.58 56.54 1jqj n ASN 14 Cb 0.00 0.19 0.39 0.00 -1.54 0.00 0.00 39.78 38.82 1jqj n ASN 14 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1jqj h GLU 15 N 0.01 0.10 0.00 3.52 5.08 -1.79 -3.46 114.58 118.03 1jqj h GLU 15 Ca -0.39 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1jqj h GLU 15 Cb 2.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1jqj h GLU 15 CO 0.06 0.35 0.00 0.41 -1.00 0.00 0.00 179.01 178.83 1jqj n GLY 16 N -0.71 3.07 3.71 -3.84 0.00 -1.25 -5.12 105.19 101.04 1jqj n GLY 16 Ca -0.02 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1jqj n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jqj n LEU 17 N 0.00 3.72 0.00 0.99 4.32 -1.26 -4.73 117.00 120.04 1jqj n LEU 17 Ca 0.00 1.13 0.00 0.00 -0.02 0.00 0.00 56.01 57.12 1jqj n LEU 17 Cb 0.00 -1.51 0.00 0.00 -1.62 0.00 0.00 43.42 40.29 1jqj n LEU 17 CO 0.00 -0.15 0.00 -1.14 -1.22 0.00 0.00 177.39 174.88 1jqj n ARG 18 N 2.30 0.82 -0.02 3.23 3.00 -1.26 -5.01 116.66 119.73 1jqj n ARG 18 Ca 0.11 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.01 1jqj n ARG 18 Cb 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.66 1jqj n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jqj n ALA 19 N -3.00 2.37 -3.29 5.13 0.00 -1.23 -4.94 120.51 115.55 1jqj n ALA 19 Ca 0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 53.44 52.61 1jqj n ALA 19 Cb 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 1jqj n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqj s ALA 20 N -3.19 -0.98 -0.04 0.00 0.00 -1.25 -2.51 121.76 113.79 1jqj s ALA 20 Ca -0.07 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.45 1jqj s ALA 20 Cb 0.11 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1jqj s ALA 20 CO 0.87 -0.28 -0.14 0.71 0.00 0.00 0.00 175.76 176.91 1jqj s TYR 21 N -1.28 1.50 -0.30 0.00 1.51 0.27 -1.79 117.35 117.27 1jqj s TYR 21 Ca -0.13 -0.44 -0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1jqj s TYR 21 Cb -0.04 -1.03 0.06 0.00 -0.11 0.00 0.00 41.96 40.83 1jqj s TYR 21 CO 0.05 -0.17 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.79 1jqj s LEU 22 N 0.18 3.89 -0.60 -1.29 2.01 -0.15 -0.16 118.68 122.56 1jqj s LEU 22 Ca -0.06 -1.41 -0.16 0.00 0.01 0.00 0.00 54.13 52.52 1jqj s LEU 22 Cb -0.12 -1.66 0.15 0.00 0.01 0.00 0.00 46.19 44.57 1jqj s LEU 22 CO 0.02 -0.26 0.56 -0.76 1.01 0.00 0.00 176.35 176.92 1jqj s LEU 23 N 1.18 6.27 -0.22 1.79 1.43 0.14 0.33 118.68 129.59 1jqj s LEU 23 Ca -0.05 -1.95 -0.05 0.00 -1.03 0.00 0.00 54.13 51.05 1jqj s LEU 23 Cb -0.20 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1jqj s LEU 23 CO -0.03 -0.81 -0.02 -0.76 0.23 0.00 0.00 176.35 174.96 1jqj s LEU 24 N 1.36 3.03 0.00 1.79 2.01 -0.11 -1.35 118.68 125.42 1jqj s LEU 24 Ca 0.06 -0.34 0.00 0.00 0.01 0.00 0.00 54.13 53.86 1jqj s LEU 24 Cb -0.26 -1.78 0.00 0.00 0.01 0.00 0.00 46.19 44.16 1jqj s LEU 24 CO 0.01 -0.02 0.00 0.61 1.01 0.00 0.00 176.35 177.96 1jqj n GLY 25 N 4.78 1.05 0.03 -3.19 0.00 0.32 -1.46 105.19 106.71 1jqj n GLY 25 Ca -0.18 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 44.99 1jqj n GLY 25 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jqj n ASN 26 N 0.00 0.56 -4.67 1.61 0.23 -1.11 -4.01 115.26 107.87 1jqj n ASN 26 Ca 0.00 -0.22 -0.42 0.00 -0.53 0.00 0.00 54.58 53.41 1jqj n ASN 26 Cb 0.00 1.01 -0.03 0.00 -2.08 0.00 0.00 39.78 38.67 1jqj n ASN 26 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jqj s ASP 27 N -4.04 7.01 0.29 0.53 -1.08 -1.00 -4.84 116.67 113.53 1jqj s ASP 27 Ca 0.02 1.24 0.12 0.00 -0.52 0.00 0.00 52.55 53.41 1jqj s ASP 27 Cb 0.14 -2.48 0.42 0.00 -1.46 0.00 0.00 42.92 39.54 1jqj s ASP 27 CO 0.83 -0.48 1.64 1.55 0.52 0.00 0.00 175.17 179.23 1jqj h PRO 28 N 7.38 0.00 0.30 4.34 0.13 -1.89 -2.56 132.00 139.71 1jqj h PRO 28 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1jqj h PRO 28 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1jqj h PRO 28 CO 0.87 0.57 -0.14 1.25 -0.23 0.00 0.00 178.00 180.32 1jqj h LEU 29 N 0.00 -0.34 -0.95 1.56 5.85 -1.93 -2.68 115.31 116.82 1jqj h LEU 29 Ca -0.01 -0.16 0.19 0.00 0.84 0.00 0.00 57.88 58.74 1jqj h LEU 29 Cb 1.04 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 42.05 1jqj h LEU 29 CO 0.07 0.13 0.54 -0.07 -0.34 0.00 0.00 178.44 178.78 1jqj h LEU 30 N -0.98 0.66 0.11 2.25 3.38 -1.92 0.32 115.31 119.12 1jqj h LEU 30 Ca -0.04 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1jqj h LEU 30 Cb 0.48 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1jqj h LEU 30 CO 0.07 0.21 -0.05 -0.07 0.09 0.00 0.00 178.44 178.69 1jqj h LEU 31 N 0.67 -0.12 -1.27 1.67 3.38 -1.50 -1.75 115.31 116.40 1jqj h LEU 31 Ca 0.55 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 1jqj h LEU 31 Cb 0.88 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1jqj h LEU 31 CO -0.40 0.03 0.33 -0.61 0.09 0.00 0.00 178.44 177.87 1jqj h GLN 32 N -0.27 0.83 0.30 1.13 5.75 -0.81 -0.82 115.11 121.23 1jqj h GLN 32 Ca -0.01 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1jqj h GLN 32 Cb 0.22 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.60 1jqj h GLN 32 CO 0.02 0.61 -0.15 0.93 -2.65 0.00 0.00 178.83 177.60 1jqj h GLU 33 N 0.84 -0.39 -0.66 1.69 5.08 -0.27 -2.58 114.58 118.28 1jqj h GLU 33 Ca 0.21 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.69 1jqj h GLU 33 Cb 0.03 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 1jqj h GLU 33 CO -0.03 -0.07 0.32 0.77 -1.00 0.00 0.00 179.01 178.99 1jqj h SER 34 N -0.76 0.41 0.54 1.42 0.02 -1.17 0.29 113.55 114.30 1jqj h SER 34 Ca -0.04 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1jqj h SER 34 Cb 0.50 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1jqj h SER 34 CO 0.07 0.25 0.00 0.00 -1.14 0.00 0.00 176.83 176.00 1jqj n GLN 35 N -4.88 0.15 -0.03 3.45 10.64 -0.33 -1.87 117.38 124.51 1jqj n GLN 35 Ca 0.10 0.44 -0.21 0.00 -1.83 0.00 0.00 57.00 55.49 1jqj n GLN 35 Cb 0.25 -1.82 -0.13 0.00 -0.86 0.00 0.00 30.24 27.68 1jqj n GLN 35 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1jqj h ASP 36 N 0.00 0.27 -0.69 2.61 3.32 -0.23 -2.49 116.42 119.21 1jqj h ASP 36 Ca 0.00 -0.79 0.15 0.00 0.02 0.00 0.00 57.03 56.41 1jqj h ASP 36 Cb 0.27 -0.09 -0.12 0.00 0.22 0.00 0.00 39.33 39.61 1jqj h ASP 36 CO 0.00 1.62 0.03 0.00 -1.72 0.00 0.00 179.24 179.17 1jqj h ALA 37 N -0.14 0.74 -0.30 3.45 0.00 -0.15 0.22 119.26 123.08 1jqj h ALA 37 Ca -0.33 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1jqj h ALA 37 Cb 1.67 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1jqj h ALA 37 CO -0.01 -0.40 0.00 0.28 0.00 0.00 0.00 179.25 179.12 1jqj n VAL 38 N -5.29 0.00 0.32 0.00 0.31 -0.78 -1.27 118.33 111.63 1jqj n VAL 38 Ca 0.12 1.41 0.15 0.00 -0.01 0.00 0.00 64.34 66.01 1jqj n VAL 38 Cb 0.42 -2.41 0.83 0.00 -0.91 0.00 0.00 33.84 31.77 1jqj n VAL 38 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1jqj h ARG 39 N 0.00 0.00 0.00 5.55 3.08 -1.25 0.23 114.38 122.00 1jqj h ARG 39 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jqj h ARG 39 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1jqj h ARG 39 CO 0.00 0.00 -0.00 0.37 -1.07 0.00 0.00 179.97 179.27 1jqj h GLN 40 N 0.00 -0.00 -0.88 0.04 4.15 -0.38 0.22 115.11 118.26 1jqj h GLN 40 Ca 0.00 0.00 0.23 0.00 0.77 0.00 0.00 58.65 59.65 1jqj h GLN 40 Cb 0.57 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 28.12 1jqj h GLN 40 CO 0.00 -0.00 0.17 0.28 -1.93 0.00 0.00 178.83 177.35 1jqj h VAL 41 N -0.00 0.27 0.70 2.39 2.07 -0.59 0.13 116.25 121.22 1jqj h VAL 41 Ca -0.00 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1jqj h VAL 41 Cb 0.00 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1jqj h VAL 41 CO 0.00 0.03 -0.43 0.00 0.02 0.00 0.00 177.57 177.18 1jqj h ALA 42 N 1.80 -1.23 -0.46 1.67 0.00 -0.62 -2.37 119.26 118.05 1jqj h ALA 42 Ca 0.54 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.36 1jqj h ALA 42 Cb 1.09 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1jqj h ALA 42 CO -0.70 -1.19 0.86 0.00 0.00 0.00 0.00 179.25 178.22 1jqj h ALA 43 N -1.27 2.27 -0.79 0.00 0.00 0.15 0.42 119.26 120.04 1jqj h ALA 43 Ca -0.09 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.21 1jqj h ALA 43 Cb 0.85 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.45 1jqj h ALA 43 CO 0.09 -1.10 0.73 0.00 0.00 0.00 0.00 179.25 178.97 1jqj n ALA 44 N -2.00 6.18 -1.85 0.00 0.00 -0.89 -3.75 120.51 118.20 1jqj n ALA 44 Ca 0.10 -3.20 -0.04 0.00 0.00 0.00 0.00 53.44 50.30 1jqj n ALA 44 Cb 1.02 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1jqj n ALA 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jqj n GLN 45 N -0.16 0.00 0.00 0.00 6.02 0.15 -4.99 117.38 118.41 1jqj n GLN 45 Ca 0.51 -0.54 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1jqj n GLN 45 Cb 0.50 0.36 0.00 0.00 1.02 0.00 0.00 30.24 32.12 1jqj n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jqj n GLY 46 N 0.00 1.78 3.50 1.08 0.00 -1.25 -4.94 105.19 105.36 1jqj n GLY 46 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1jqj n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jqj n PHE 47 N -2.00 3.76 1.04 1.61 3.01 -1.24 -1.59 117.46 122.04 1jqj n PHE 47 Ca 0.00 -2.31 0.11 0.00 1.01 0.00 0.00 57.45 56.26 1jqj n PHE 47 Cb 0.00 -2.58 0.07 0.00 -0.01 0.00 0.00 39.48 36.96 1jqj n PHE 47 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1jqj n GLU 48 N 8.12 0.36 -4.28 -1.08 0.28 -1.11 -3.94 120.64 118.99 1jqj n GLU 48 Ca 0.48 -0.27 -0.35 0.00 -0.16 0.00 0.00 57.16 56.87 1jqj n GLU 48 Cb 0.45 -1.49 -0.10 0.00 1.43 0.00 0.00 31.44 31.73 1jqj n GLU 48 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1jqj s GLU 49 N -2.83 3.41 0.04 3.44 2.12 -1.06 -5.04 118.70 118.79 1jqj s GLU 49 Ca 0.13 -0.41 0.01 0.00 0.36 0.00 0.00 54.97 55.06 1jqj s GLU 49 Cb 0.17 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 1jqj s GLU 49 CO 0.72 0.48 -0.06 -1.01 -0.54 0.00 0.00 175.26 174.85 1jqj s HIS 50 N -0.27 0.56 -0.14 5.30 3.76 -1.26 0.08 115.29 123.32 1jqj s HIS 50 Ca 0.06 -0.56 -0.15 0.00 -0.15 0.00 0.00 55.06 54.26 1jqj s HIS 50 Cb -0.12 -0.35 0.04 0.00 1.11 0.00 0.00 32.58 33.26 1jqj s HIS 50 CO 0.02 -0.13 0.41 -1.01 -0.85 0.00 0.00 174.74 173.17 1jqj s HIS 51 N -1.68 -0.43 -0.03 1.40 3.76 -0.87 -4.94 115.29 112.50 1jqj s HIS 51 Ca -0.09 1.04 0.04 0.00 -0.15 0.00 0.00 55.06 55.89 1jqj s HIS 51 Cb -0.08 0.15 -0.01 0.00 1.11 0.00 0.00 32.58 33.76 1jqj s HIS 51 CO -0.01 -0.24 -0.15 0.99 -0.85 0.00 0.00 174.74 174.49 1jqj s THR 52 N 0.07 1.22 0.08 1.30 2.01 -1.26 -0.23 115.64 118.83 1jqj s THR 52 Ca -0.01 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.41 1jqj s THR 52 Cb -0.03 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 1jqj s THR 52 CO 0.01 0.35 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.81 1jqj s PHE 53 N -0.10 1.12 -0.20 4.92 0.40 -0.29 -4.97 117.98 118.87 1jqj s PHE 53 Ca 0.00 -0.51 -0.08 0.00 -0.60 0.00 0.00 56.93 55.75 1jqj s PHE 53 Cb -0.09 -0.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 1jqj s PHE 53 CO 0.01 0.03 0.07 -1.12 0.70 0.00 0.00 175.22 174.91 1jqj s SER 54 N -1.91 5.57 -0.45 1.36 0.01 -1.26 0.06 113.70 117.07 1jqj s SER 54 Ca -0.01 0.03 -0.20 0.00 1.31 0.00 0.00 55.95 57.08 1jqj s SER 54 Cb -0.08 -1.97 0.03 0.00 0.21 0.00 0.00 66.02 64.21 1jqj s SER 54 CO 0.02 0.13 0.62 -0.63 0.41 0.00 0.00 173.24 173.78 1jqj s ILE 55 N 0.67 4.86 0.00 1.44 -1.09 0.32 -4.51 121.20 122.88 1jqj s ILE 55 Ca 0.04 -0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 1jqj s ILE 55 Cb -0.13 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 1jqj s ILE 55 CO 0.02 -0.62 0.00 -0.90 -1.23 0.00 0.00 174.94 172.21 1jqj n ASP 56 N 6.18 0.00 -0.99 3.58 3.85 -1.26 -2.30 116.55 125.61 1jqj n ASP 56 Ca -0.03 -0.34 -0.01 0.00 -0.71 0.00 0.00 54.79 53.69 1jqj n ASP 56 Cb 0.47 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 40.31 1jqj n ASP 56 CO 0.00 0.00 0.00 -0.81 -1.01 0.00 0.00 177.20 175.38 1jqj n PRO 57 N 0.00 1.58 0.00 0.11 -0.04 -1.26 -3.50 135.00 131.89 1jqj n PRO 57 Ca 0.00 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1jqj n PRO 57 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1jqj n PRO 57 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jqj n ASN 58 N 0.14 0.09 -4.40 3.54 3.02 -1.26 -5.06 115.26 111.33 1jqj n ASN 58 Ca 0.09 -0.40 -0.55 0.00 -0.03 0.00 0.00 54.58 53.68 1jqj n ASN 58 Cb 0.58 0.23 -0.09 0.00 -0.61 0.00 0.00 39.78 39.89 1jqj n ASN 58 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1jqj n THR 59 N -0.23 0.12 -1.15 3.41 -1.04 -1.23 -4.76 114.28 109.39 1jqj n THR 59 Ca 0.00 -0.13 -0.35 0.00 -2.04 0.00 0.00 64.05 61.53 1jqj n THR 59 Cb 0.05 -1.12 -0.03 0.00 -1.82 0.00 0.00 70.33 67.41 1jqj n THR 59 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1jqj n ASP 60 N 8.36 4.85 -0.66 8.00 4.64 -1.26 -4.75 116.55 135.74 1jqj n ASP 60 Ca 0.45 -2.57 0.49 0.00 -1.38 0.00 0.00 54.79 51.79 1jqj n ASP 60 Cb 0.11 -1.30 0.76 0.00 -1.04 0.00 0.00 41.12 39.65 1jqj n ASP 60 CO 0.00 0.00 0.00 0.79 -0.82 0.00 0.00 177.20 177.17 1jqj n TRP 61 N 5.32 0.01 0.05 -0.67 7.02 -1.26 -1.12 117.44 126.78 1jqj n TRP 61 Ca 0.54 0.02 -0.04 0.00 -1.02 0.00 0.00 57.50 56.99 1jqj n TRP 61 Cb 0.27 -0.47 -0.02 0.00 -2.42 0.00 0.00 31.31 28.66 1jqj n TRP 61 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1jqj h ASN 62 N 0.00 -0.38 -0.96 -0.99 2.35 -1.99 -0.59 115.58 113.02 1jqj h ASN 62 Ca 0.87 0.04 0.25 0.00 -0.55 0.00 0.00 56.30 56.91 1jqj h ASN 62 Cb 3.49 0.13 -0.18 0.00 0.05 0.00 0.00 38.32 41.82 1jqj h ASN 62 CO -0.02 -0.15 -0.01 0.00 -1.65 0.00 0.00 177.43 175.60 1jqj h ALA 63 N -1.40 1.06 -0.12 -0.83 0.00 -1.54 0.42 119.26 116.85 1jqj h ALA 63 Ca -0.01 0.33 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1jqj h ALA 63 Cb 0.20 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1jqj h ALA 63 CO -0.05 -0.53 -0.06 0.82 0.00 0.00 0.00 179.25 179.43 1jqj h ILE 64 N 0.02 0.80 0.69 0.00 2.04 -1.45 -0.34 117.51 119.27 1jqj h ILE 64 Ca 0.56 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.39 1jqj h ILE 64 Cb 1.10 0.80 0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1jqj h ILE 64 CO -0.90 0.00 -0.33 -0.26 0.00 0.00 0.00 178.15 176.66 1jqj h PHE 65 N -0.05 -0.86 -1.05 1.37 0.05 0.12 -2.49 116.94 114.04 1jqj h PHE 65 Ca 0.07 -0.02 0.30 0.00 3.82 0.00 0.00 57.97 62.14 1jqj h PHE 65 Cb 0.15 0.28 -0.13 0.00 2.00 0.00 0.00 35.95 38.26 1jqj h PHE 65 CO -0.19 -0.51 0.64 1.03 -0.18 0.00 0.00 178.31 179.10 1jqj h SER 66 N -1.03 0.51 -0.01 2.17 0.87 -0.42 0.19 113.55 115.83 1jqj h SER 66 Ca -0.09 0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1jqj h SER 66 Cb 0.73 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 1jqj h SER 66 CO 0.16 -0.02 -0.10 0.25 -0.53 0.00 0.00 176.83 176.59 1jqj h LEU 67 N 0.39 -0.30 -0.68 2.23 7.12 -0.74 -2.66 115.31 120.67 1jqj h LEU 67 Ca 0.68 0.05 0.07 0.00 0.13 0.00 0.00 57.88 58.82 1jqj h LEU 67 Cb 1.62 0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 41.81 1jqj h LEU 67 CO -0.47 -0.15 0.36 0.00 -0.13 0.00 0.00 178.44 178.05 1jqj n GLN 69 N -4.83 0.70 -2.96 0.00 1.13 -0.92 -4.85 117.38 105.66 1jqj n GLN 69 Ca 0.09 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.85 1jqj n GLN 69 Cb 0.22 -1.25 -0.04 0.00 0.11 0.00 0.00 30.24 29.28 1jqj n GLN 69 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jqj s ALA 70 N -2.00 3.37 -0.09 -1.58 0.00 -0.43 -5.08 121.76 115.94 1jqj s ALA 70 Ca 0.17 -0.19 0.04 0.00 0.00 0.00 0.00 51.96 51.98 1jqj s ALA 70 Cb 0.08 -2.68 -0.00 0.00 0.00 0.00 0.00 23.12 20.52 1jqj s ALA 70 CO 0.13 0.08 -0.23 -1.64 0.00 0.00 0.00 175.76 174.10 1jqj s MET 71 N -3.65 2.98 0.33 0.00 -1.94 -1.26 -5.07 119.30 110.69 1jqj s MET 71 Ca 0.51 -0.87 -0.28 0.00 -1.71 0.00 0.00 55.69 53.34 1jqj s MET 71 Cb -0.10 -2.30 -0.09 0.00 2.01 0.00 0.00 34.83 34.35 1jqj s MET 71 CO 0.29 0.22 1.17 0.45 -0.01 0.00 0.00 175.02 177.14 1jqj s SER 72 N 0.25 6.91 0.33 3.03 0.15 -1.26 -4.93 113.70 118.17 1jqj s SER 72 Ca -0.16 2.39 0.26 0.00 0.70 0.00 0.00 55.95 59.14 1jqj s SER 72 Cb -0.17 -2.63 0.78 0.00 -1.71 0.00 0.00 66.02 62.29 1jqj s SER 72 CO 0.08 -0.41 1.75 -0.07 1.20 0.00 0.00 173.24 175.78 1jqj h LEU 73 N 3.31 0.00 -3.05 3.45 3.38 -2.00 -2.96 115.31 117.45 1jqj h LEU 73 Ca -0.48 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1jqj h LEU 73 Cb 1.22 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1jqj h LEU 73 CO 0.65 0.00 -0.58 0.49 0.09 0.00 0.00 178.44 179.09 1jqj n PHE 74 N -2.62 0.13 -1.17 1.13 3.01 -1.26 -4.96 117.46 111.71 1jqj n PHE 74 Ca 0.04 -1.41 -0.03 0.00 1.01 0.00 0.00 57.45 57.05 1jqj n PHE 74 Cb 0.41 -0.24 -0.01 0.00 -0.01 0.00 0.00 39.48 39.62 1jqj n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jqj n ALA 75 N -0.90 -0.10 -2.54 4.37 0.00 -1.12 -4.88 120.51 115.34 1jqj n ALA 75 Ca 0.18 0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 1jqj n ALA 75 Cb 0.76 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.64 1jqj n ALA 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jqj s SER 76 N -1.30 7.38 1.08 0.00 1.04 -1.26 -4.95 113.70 115.69 1jqj s SER 76 Ca 0.00 1.66 -0.13 0.00 0.48 0.00 0.00 55.95 57.96 1jqj s SER 76 Cb 0.00 -2.56 0.24 0.00 0.10 0.00 0.00 66.02 63.80 1jqj s SER 76 CO 0.00 -0.17 1.06 -0.13 0.98 0.00 0.00 173.24 174.98 1jqj s ARG 77 N 0.59 -0.25 0.04 4.02 0.52 -0.62 -4.60 118.95 118.64 1jqj s ARG 77 Ca 0.48 0.65 0.01 0.00 -0.52 0.00 0.00 55.73 56.35 1jqj s ARG 77 Cb -0.22 -1.65 -0.03 0.00 0.52 0.00 0.00 34.95 33.58 1jqj s ARG 77 CO 0.28 -3.23 -0.05 1.14 0.02 0.00 0.00 175.30 173.46 1jqj s GLN 78 N -4.73 0.48 0.06 3.54 -2.07 -0.96 -2.55 119.66 113.42 1jqj s GLN 78 Ca 0.67 -0.84 0.04 0.00 -1.82 0.00 0.00 55.36 53.41 1jqj s GLN 78 Cb -0.22 -0.01 -0.04 0.00 -1.09 0.00 0.00 33.01 31.65 1jqj s GLN 78 CO 0.61 -0.03 -0.01 0.99 -1.32 0.00 0.00 175.29 175.52 1jqj s THR 79 N -2.11 3.96 -0.13 3.63 2.01 0.11 -1.43 115.64 121.69 1jqj s THR 79 Ca -0.07 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 1jqj s THR 79 Cb -0.05 -2.84 0.04 0.00 0.01 0.00 0.00 72.50 69.66 1jqj s THR 79 CO -0.03 0.21 0.04 -0.22 -0.69 0.00 0.00 174.62 173.93 1jqj s LEU 80 N -2.03 0.66 -0.17 4.42 2.96 -0.99 -2.05 118.68 121.47 1jqj s LEU 80 Ca 0.23 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 1jqj s LEU 80 Cb -0.12 -0.41 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 1jqj s LEU 80 CO 0.15 -0.27 0.08 -0.22 -1.32 0.00 0.00 176.35 174.77 1jqj s LEU 81 N 2.00 3.93 -0.14 -0.68 2.96 0.68 -0.73 118.68 126.70 1jqj s LEU 81 Ca 0.03 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1jqj s LEU 81 Cb -0.14 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.56 1jqj s LEU 81 CO -0.07 0.22 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.23 1jqj s LEU 82 N 0.11 2.25 -0.52 -0.68 1.02 0.12 -1.14 118.68 119.84 1jqj s LEU 82 Ca 0.06 -0.54 -0.16 0.00 0.02 0.00 0.00 54.13 53.51 1jqj s LEU 82 Cb -0.12 -1.48 0.11 0.00 0.02 0.00 0.00 46.19 44.71 1jqj s LEU 82 CO 0.00 0.10 0.49 -0.76 0.02 0.00 0.00 176.35 176.20 1jqj s LEU 83 N 0.70 5.89 0.72 1.79 1.43 0.11 -0.90 118.68 128.41 1jqj s LEU 83 Ca -0.09 -1.57 -0.14 0.00 -1.03 0.00 0.00 54.13 51.29 1jqj s LEU 83 Cb -0.16 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.88 1jqj s LEU 83 CO 0.01 -0.81 1.16 -0.76 0.23 0.00 0.00 176.35 176.18 1jqj s LEU 84 N 1.75 3.30 0.88 1.79 1.43 -0.81 0.12 118.68 127.13 1jqj s LEU 84 Ca 0.05 2.20 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 1jqj s LEU 84 Cb -0.27 -4.57 0.12 0.00 0.03 0.00 0.00 46.19 41.50 1jqj s LEU 84 CO 0.05 -2.10 1.09 -2.16 0.23 0.00 0.00 176.35 173.46 1jqj s PRO 85 N -4.06 1.39 0.20 1.29 0.04 -0.97 -4.76 135.00 128.13 1jqj s PRO 85 Ca 0.71 0.96 -0.17 0.00 0.04 0.00 0.00 61.00 62.53 1jqj s PRO 85 Cb -0.25 -1.81 0.18 0.00 0.04 0.00 0.00 34.50 32.66 1jqj s PRO 85 CO 0.45 -2.18 1.60 0.93 0.04 0.00 0.00 177.00 177.84 1jqj h GLU 86 N -1.51 -0.09 0.43 4.56 3.07 -1.94 -3.00 114.58 116.10 1jqj h GLU 86 Ca -0.48 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.36 1jqj h GLU 86 Cb 1.27 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1jqj h GLU 86 CO 0.53 -0.06 -0.21 -2.95 -1.40 0.00 0.00 179.01 174.92 1jqj h ASN 87 N -0.09 -0.49 -1.13 1.42 -1.07 -2.00 -3.44 115.58 108.77 1jqj h ASN 87 Ca 0.27 -0.09 0.00 0.00 0.07 0.00 0.00 56.30 56.55 1jqj h ASN 87 Cb 0.52 0.13 0.00 0.00 -2.07 0.00 0.00 38.32 36.90 1jqj h ASN 87 CO -0.68 -0.18 0.00 0.61 0.07 0.00 0.00 177.43 177.25 1jqj n GLY 88 N -0.69 -1.04 3.66 9.14 0.00 -1.13 -4.72 105.19 110.40 1jqj n GLY 88 Ca -0.11 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1jqj n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jqj s PRO 89 N -1.92 4.11 0.90 1.61 0.04 -1.26 -4.47 135.00 134.00 1jqj s PRO 89 Ca 0.00 2.51 -0.15 0.00 0.04 0.00 0.00 61.00 63.40 1jqj s PRO 89 Cb 0.00 -4.14 0.23 0.00 0.04 0.00 0.00 34.50 30.63 1jqj s PRO 89 CO 0.00 -0.98 0.62 -1.71 0.04 0.00 0.00 177.00 174.97 1jqj n ASN 90 N 7.63 -2.74 0.11 6.66 4.05 -1.26 -4.78 115.26 124.93 1jqj n ASN 90 Ca 0.20 -0.72 -0.16 0.00 0.45 0.00 0.00 54.58 54.35 1jqj n ASN 90 Cb 0.42 -0.65 -0.13 0.00 1.23 0.00 0.00 39.78 40.64 1jqj n ASN 90 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jqj h ALA 91 N -2.84 0.09 0.16 5.20 0.00 -2.00 -2.71 119.26 117.16 1jqj h ALA 91 Ca -0.26 -0.87 -0.30 0.00 0.00 0.00 0.00 54.91 53.48 1jqj h ALA 91 Cb 0.85 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.68 1jqj h ALA 91 CO 0.16 0.94 -1.30 0.00 0.00 0.00 0.00 179.25 179.05 1jqj h ALA 92 N 0.56 0.01 -0.96 0.00 0.00 -2.01 -3.25 119.26 113.61 1jqj h ALA 92 Ca -0.14 -0.85 0.04 0.00 0.00 0.00 0.00 54.91 53.96 1jqj h ALA 92 Cb 1.96 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.78 1jqj h ALA 92 CO 0.21 0.82 0.63 0.82 0.00 0.00 0.00 179.25 181.73 1jqj h ILE 93 N 0.14 1.16 -0.44 0.00 1.08 -1.92 0.16 117.51 117.69 1jqj h ILE 93 Ca -0.18 -0.41 0.13 0.00 -0.39 0.00 0.00 64.86 64.01 1jqj h ILE 93 Cb 2.00 -0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 1jqj h ILE 93 CO 0.23 0.22 0.35 0.78 -0.69 0.00 0.00 178.15 179.04 1jqj h ASN 94 N 1.19 0.00 0.12 1.72 2.35 -1.51 -0.86 115.58 118.59 1jqj h ASN 94 Ca 0.38 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.13 1jqj h ASN 94 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1jqj h ASN 94 CO -0.12 0.00 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.27 1jqj h GLU 95 N 0.00 -0.16 -0.88 0.81 3.07 -1.08 -2.75 114.58 113.59 1jqj h GLU 95 Ca 0.21 0.01 0.21 0.00 -0.50 0.00 0.00 59.36 59.29 1jqj h GLU 95 Cb 0.91 0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 28.73 1jqj h GLU 95 CO -0.00 -0.11 0.36 1.96 -1.40 0.00 0.00 179.01 179.82 1jqj h GLN 96 N -0.29 0.38 -0.06 2.33 1.08 -1.38 0.92 115.11 118.09 1jqj h GLN 96 Ca -0.02 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1jqj h GLN 96 Cb 0.13 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1jqj h GLN 96 CO 0.03 0.25 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.02 1jqj h LEU 97 N 0.39 -0.21 -0.30 1.46 4.07 -1.27 -1.40 115.31 118.05 1jqj h LEU 97 Ca 0.54 0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.61 1jqj h LEU 97 Cb 1.00 0.10 -0.08 0.00 1.08 0.00 0.00 40.66 42.77 1jqj h LEU 97 CO -0.52 -0.10 -0.34 0.25 -1.08 0.00 0.00 178.44 176.65 1jqj h LEU 98 N -0.09 -1.10 -0.52 1.67 7.12 -0.54 0.43 115.31 122.27 1jqj h LEU 98 Ca 0.05 0.18 0.10 0.00 0.13 0.00 0.00 57.88 58.34 1jqj h LEU 98 Cb 0.16 0.49 -0.11 0.00 -0.53 0.00 0.00 40.66 40.68 1jqj h LEU 98 CO -0.12 -0.34 -0.22 0.74 -0.13 0.00 0.00 178.44 178.37 1jqj h THR 99 N -0.32 0.33 -0.68 1.05 2.02 -0.82 -2.27 112.91 112.21 1jqj h THR 99 Ca 0.14 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 1jqj h THR 99 Cb 0.55 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1jqj h THR 99 CO -0.47 0.00 0.13 0.25 0.37 0.00 0.00 175.52 175.80 1jqj h LEU 100 N -0.10 1.07 0.00 2.58 6.46 -0.08 -1.65 115.31 123.59 1jqj h LEU 100 Ca 0.24 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1jqj h LEU 100 Cb 0.48 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1jqj h LEU 100 CO -0.59 1.05 0.00 0.35 -0.62 0.00 0.00 178.44 178.63 1jqj n THR 101 N -4.22 0.68 -0.01 1.05 -2.24 0.14 -0.08 114.28 109.60 1jqj n THR 101 Ca 0.05 0.17 0.06 0.00 -2.27 0.00 0.00 64.05 62.06 1jqj n THR 101 Cb 0.28 -1.16 -0.12 0.00 -2.10 0.00 0.00 70.33 67.24 1jqj n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jqj n GLY 102 N -1.10 -0.70 0.43 3.38 0.00 -0.63 -4.29 105.19 102.27 1jqj n GLY 102 Ca 0.01 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.81 1jqj n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jqj n LEU 103 N -2.08 1.35 -4.56 0.99 4.77 0.89 -4.80 117.00 113.56 1jqj n LEU 103 Ca -0.05 -0.45 -0.23 0.00 -0.03 0.00 0.00 56.01 55.25 1jqj n LEU 103 Cb 0.45 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1jqj n LEU 103 CO 0.32 0.23 1.32 -0.76 -1.33 0.00 0.00 177.39 177.16 1jqj s LEU 104 N -2.01 3.06 0.00 2.23 1.43 -0.96 -4.86 118.68 117.57 1jqj s LEU 104 Ca 0.39 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1jqj s LEU 104 Cb 0.21 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1jqj s LEU 104 CO 0.34 -3.12 0.00 0.00 0.23 0.00 0.00 176.35 173.80 1jqj n HIS 105 N 15.34 0.00 -0.07 0.29 1.44 -1.26 -5.06 115.22 125.90 1jqj n HIS 105 Ca 0.42 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.98 1jqj n HIS 105 Cb 0.46 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.51 1jqj n HIS 105 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1jqj n ASP 106 N 0.00 1.38 -2.38 4.39 -0.08 -1.26 -4.55 116.55 114.05 1jqj n ASP 106 Ca 0.00 0.13 -0.20 0.00 -1.51 0.00 0.00 54.79 53.22 1jqj n ASP 106 Cb 0.00 -0.39 -0.13 0.00 2.34 0.00 0.00 41.12 42.94 1jqj n ASP 106 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1jqj n ASP 107 N -3.52 6.23 -3.15 1.67 8.00 -1.26 -4.47 116.55 120.05 1jqj n ASP 107 Ca -0.28 -2.50 0.03 0.00 0.71 0.00 0.00 54.79 52.74 1jqj n ASP 107 Cb 0.72 -1.45 -0.00 0.00 -0.02 0.00 0.00 41.12 40.36 1jqj n ASP 107 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jqj s LEU 108 N 0.05 -1.40 0.49 0.64 2.96 -1.25 -2.27 118.68 117.90 1jqj s LEU 108 Ca 0.67 -0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 54.22 1jqj s LEU 108 Cb 0.28 1.83 -0.06 0.00 0.50 0.00 0.00 46.19 48.74 1jqj s LEU 108 CO -0.02 -0.21 0.89 -0.22 -1.32 0.00 0.00 176.35 175.47 1jqj s LEU 109 N 2.37 3.61 -0.02 -0.68 2.96 -0.51 -4.66 118.68 121.75 1jqj s LEU 109 Ca 0.14 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.33 1jqj s LEU 109 Cb -0.06 -4.22 0.02 0.00 0.50 0.00 0.00 46.19 42.43 1jqj s LEU 109 CO -0.17 -0.58 0.01 -0.22 -1.32 0.00 0.00 176.35 174.07 1jqj s LEU 110 N -4.34 1.26 -0.01 -0.68 2.96 -1.04 -2.34 118.68 114.48 1jqj s LEU 110 Ca 0.53 0.01 0.07 0.00 -0.22 0.00 0.00 54.13 54.53 1jqj s LEU 110 Cb -0.10 -0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.45 1jqj s LEU 110 CO 0.38 -0.10 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.46 1jqj s ILE 111 N 0.87 1.82 -0.12 6.68 1.01 0.09 0.96 121.20 132.52 1jqj s ILE 111 Ca -0.08 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1jqj s ILE 111 Cb -0.11 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.86 1jqj s ILE 111 CO -0.02 0.48 -0.12 -0.69 0.00 0.00 0.00 174.94 174.59 1jqj s VAL 112 N -0.58 1.30 -0.12 2.92 1.01 0.77 0.13 120.40 125.83 1jqj s VAL 112 Ca 0.09 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1jqj s VAL 112 Cb -0.09 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1jqj s VAL 112 CO -0.00 0.41 -0.10 -0.60 0.00 0.00 0.00 175.10 174.80 1jqj s ARG 113 N 1.41 3.32 0.00 2.72 3.52 -0.08 0.25 118.95 130.08 1jqj s ARG 113 Ca 0.01 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1jqj s ARG 113 Cb -0.13 -2.67 0.00 0.00 -1.56 0.00 0.00 34.95 30.59 1jqj s ARG 113 CO -0.07 0.30 0.00 0.41 -0.81 0.00 0.00 175.30 175.13 1jqj n GLY 114 N 3.30 -1.15 3.94 8.12 0.00 -0.46 -1.93 105.19 117.01 1jqj n GLY 114 Ca -0.18 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 1jqj n GLY 114 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jqj s ASN 115 N -4.00 5.94 -0.26 1.61 -0.87 -1.26 0.12 114.94 116.23 1jqj s ASN 115 Ca 0.00 0.45 -0.32 0.00 -1.57 0.00 0.00 52.86 51.42 1jqj s ASN 115 Cb 0.00 -1.73 -0.14 0.00 -0.02 0.00 0.00 41.25 39.36 1jqj s ASN 115 CO 0.00 -0.65 1.02 1.17 -2.57 0.00 0.00 177.10 176.07 1jqj n LYS 116 N -2.11 0.00 -1.68 -0.60 4.81 -1.26 -4.56 118.16 112.76 1jqj n LYS 116 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 58.31 56.97 1jqj n LYS 116 Cb 0.57 -1.06 -0.04 0.00 0.02 0.00 0.00 35.03 34.52 1jqj n LYS 116 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1jqj n LEU 117 N 2.34 3.56 -3.15 3.14 4.77 -1.26 -4.72 117.00 121.68 1jqj n LEU 117 Ca 0.20 0.96 -0.45 0.00 -0.03 0.00 0.00 56.01 56.69 1jqj n LEU 117 Cb -0.02 -1.39 -0.08 0.00 -2.33 0.00 0.00 43.42 39.60 1jqj n LEU 117 CO 0.58 -0.01 1.19 -1.54 -1.33 0.00 0.00 177.39 176.27 1jqj n SER 118 N 6.78 0.60 0.00 -1.43 3.41 -1.26 -4.62 113.62 117.10 1jqj n SER 118 Ca 0.22 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 1jqj n SER 118 Cb 0.31 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1jqj n SER 118 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jqj n LYS 119 N 5.03 0.00 -0.11 4.33 5.02 -1.26 0.27 118.16 131.44 1jqj n LYS 119 Ca 0.37 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.73 1jqj n LYS 119 Cb -0.03 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.10 1jqj n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jqj n ALA 120 N -2.58 2.35 1.26 7.82 0.00 -1.26 -4.46 120.51 123.64 1jqj n ALA 120 Ca 0.00 -0.89 0.11 0.00 0.00 0.00 0.00 53.44 52.66 1jqj n ALA 120 Cb 0.00 -0.52 0.63 0.00 0.00 0.00 0.00 19.45 19.56 1jqj n ALA 120 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jqj n GLN 121 N 0.80 0.54 -0.13 0.00 3.00 0.77 -2.18 117.38 120.18 1jqj n GLN 121 Ca 0.12 0.04 0.04 0.00 -0.01 0.00 0.00 57.00 57.18 1jqj n GLN 121 Cb 0.42 -1.50 0.11 0.00 0.00 0.00 0.00 30.24 29.26 1jqj n GLN 121 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1jqj n GLU 122 N -1.13 1.60 -0.00 -1.09 1.02 -1.26 -2.58 120.64 117.20 1jqj n GLU 122 Ca 0.14 -0.89 0.08 0.00 -0.02 0.00 0.00 57.16 56.48 1jqj n GLU 122 Cb 0.12 -1.22 -0.12 0.00 -0.02 0.00 0.00 31.44 30.21 1jqj n GLU 122 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jqj n ASN 123 N 0.21 0.92 -4.34 1.62 3.02 -0.93 -4.41 115.26 111.36 1jqj n ASN 123 Ca 0.08 -0.44 -0.36 0.00 -0.03 0.00 0.00 54.58 53.83 1jqj n ASN 123 Cb 0.22 1.41 0.06 0.00 -0.61 0.00 0.00 39.78 40.86 1jqj n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jqj n ALA 124 N -1.76 -2.69 0.01 5.41 0.00 -1.07 -4.75 120.51 115.67 1jqj n ALA 124 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 53.44 53.06 1jqj n ALA 124 Cb 0.36 -1.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 1jqj n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqj h ALA 125 N -0.66 -0.62 -0.83 0.00 0.00 -1.91 -3.04 119.26 112.20 1jqj h ALA 125 Ca -0.44 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 54.66 1jqj h ALA 125 Cb 1.34 0.48 -0.14 0.00 0.00 0.00 0.00 17.79 19.47 1jqj h ALA 125 CO 0.37 -0.64 0.16 0.11 0.00 0.00 0.00 179.25 179.26 1jqj h TRP 126 N -0.09 0.22 0.00 0.00 5.08 -1.89 -2.56 115.95 116.71 1jqj h TRP 126 Ca -0.00 0.05 0.00 0.00 1.08 0.00 0.00 58.89 60.02 1jqj h TRP 126 Cb 0.09 0.03 0.00 0.00 -3.00 0.00 0.00 29.16 26.28 1jqj h TRP 126 CO -0.29 -0.20 0.00 0.34 -1.28 0.00 0.00 178.44 177.01 1jqj n PHE 127 N -5.25 0.00 -0.19 0.12 7.35 -1.16 -1.70 117.46 116.63 1jqj n PHE 127 Ca 0.18 0.00 0.30 0.00 -0.76 0.00 0.00 57.45 57.17 1jqj n PHE 127 Cb 0.59 -0.44 0.66 0.00 0.35 0.00 0.00 39.48 40.64 1jqj n PHE 127 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1jqj h THR 128 N 0.00 0.22 -0.72 -2.13 1.35 -1.45 0.73 112.91 110.92 1jqj h THR 128 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 1jqj h THR 128 Cb 0.00 0.31 -0.03 0.00 -1.73 0.00 0.00 68.15 66.70 1jqj h THR 128 CO 0.00 0.00 0.35 0.00 -0.25 0.00 0.00 175.52 175.62 1jqj h ALA 129 N 1.11 1.25 0.02 6.62 0.00 -0.91 -3.22 119.26 124.13 1jqj h ALA 129 Ca 0.46 -0.14 -0.34 0.00 0.00 0.00 0.00 54.91 54.88 1jqj h ALA 129 Cb 2.25 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.69 1jqj h ALA 129 CO -0.00 0.58 -2.09 1.28 0.00 0.00 0.00 179.25 179.01 1jqj n LEU 130 N -4.33 1.27 -0.01 0.00 4.77 0.24 -4.72 117.00 114.21 1jqj n LEU 130 Ca 0.07 0.16 0.01 0.00 -0.03 0.00 0.00 56.01 56.22 1jqj n LEU 130 Cb 0.14 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1jqj n LEU 130 CO 0.39 0.60 0.03 0.00 -1.33 0.00 0.00 177.39 177.07 1jqj n ALA 131 N -2.81 0.03 0.54 -1.18 0.00 -0.12 0.18 120.51 117.14 1jqj n ALA 131 Ca -0.29 0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.23 1jqj n ALA 131 Cb 1.07 -0.03 0.01 0.00 0.00 0.00 0.00 19.45 20.51 1jqj n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jqj n ASN 132 N -3.00 1.53 -1.32 0.00 3.02 -1.26 -0.93 115.26 113.30 1jqj n ASN 132 Ca 0.01 -1.26 -0.08 0.00 -0.03 0.00 0.00 54.58 53.21 1jqj n ASN 132 Cb 0.03 0.36 0.16 0.00 -0.61 0.00 0.00 39.78 39.73 1jqj n ASN 132 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1jqj n ARG 133 N 0.01 2.14 -3.93 3.52 0.63 0.47 -4.53 116.66 114.96 1jqj n ARG 133 Ca 0.06 -3.37 -0.12 0.00 -0.92 0.00 0.00 57.85 53.50 1jqj n ARG 133 Cb 0.27 -1.90 -0.00 0.00 0.45 0.00 0.00 32.46 31.28 1jqj n ARG 133 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1jqj s SER 134 N -2.75 0.45 0.02 6.15 1.04 -1.07 -3.48 113.70 114.06 1jqj s SER 134 Ca 0.46 -1.33 0.05 0.00 0.48 0.00 0.00 55.95 55.62 1jqj s SER 134 Cb 0.41 0.78 -0.02 0.00 0.10 0.00 0.00 66.02 67.29 1jqj s SER 134 CO -0.01 -1.54 -0.16 -0.69 0.98 0.00 0.00 173.24 171.83 1jqj s VAL 135 N -2.56 1.23 -0.16 5.02 1.01 -0.74 -3.33 120.40 120.87 1jqj s VAL 135 Ca 0.22 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1jqj s VAL 135 Cb -0.03 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1jqj s VAL 135 CO 0.16 0.16 -0.19 -1.58 0.00 0.00 0.00 175.10 173.65 1jqj s GLN 136 N -0.85 2.81 -0.19 2.72 0.74 0.56 -0.98 119.66 124.49 1jqj s GLN 136 Ca 0.04 -0.77 -0.06 0.00 0.05 0.00 0.00 55.36 54.63 1jqj s GLN 136 Cb -0.07 -2.40 -0.03 0.00 1.10 0.00 0.00 33.01 31.60 1jqj s GLN 136 CO 0.01 -0.16 0.02 0.08 -0.55 0.00 0.00 175.29 174.69 1jqj s VAL 137 N 1.20 4.26 -0.49 1.34 1.01 0.15 -0.27 120.40 127.60 1jqj s VAL 137 Ca 0.01 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1jqj s VAL 137 Cb -0.14 -2.91 0.07 0.00 0.00 0.00 0.00 36.38 33.40 1jqj s VAL 137 CO -0.09 0.45 0.48 -0.89 0.00 0.00 0.00 175.10 175.05 1jqj s THR 138 N 0.67 5.10 -1.07 3.92 2.01 -0.76 -0.93 115.64 124.58 1jqj s THR 138 Ca 0.01 -0.86 -0.05 0.00 0.31 0.00 0.00 61.69 61.10 1jqj s THR 138 Cb -0.14 -4.19 0.30 0.00 0.01 0.00 0.00 72.50 68.47 1jqj s THR 138 CO 0.02 -0.67 1.33 0.00 -0.69 0.00 0.00 174.62 174.61 1jqj s GLN 140 N -2.35 3.57 -0.08 0.00 2.00 -1.26 -2.39 119.66 119.15 1jqj s GLN 140 Ca 0.31 -0.20 -0.30 0.00 -2.00 0.00 0.00 55.36 53.17 1jqj s GLN 140 Cb 0.01 -2.88 -0.02 0.00 0.80 0.00 0.00 33.01 30.92 1jqj s GLN 140 CO 0.05 0.47 1.10 0.99 -0.50 0.00 0.00 175.29 177.40 1jqj s THR 141 N -1.68 4.53 0.35 -0.34 2.01 -1.26 -4.73 115.64 114.51 1jqj s THR 141 Ca 0.39 1.83 -0.06 0.00 0.31 0.00 0.00 61.69 64.16 1jqj s THR 141 Cb -0.12 -4.17 0.09 0.00 0.01 0.00 0.00 72.50 68.30 1jqj s THR 141 CO 0.26 0.00 0.28 -0.81 -0.69 0.00 0.00 174.62 173.67 1jqj n PRO 142 N 5.07 -1.84 -1.21 4.92 -0.04 -1.26 -5.00 135.00 135.64 1jqj n PRO 142 Ca 0.10 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1jqj n PRO 142 Cb 0.48 -0.46 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 1jqj n PRO 142 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1jqj n GLU 143 N -2.54 0.00 0.00 0.54 -0.00 -1.26 -4.84 120.64 112.53 1jqj n GLU 143 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.20 1jqj n GLU 143 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.60 1jqj n GLU 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1jqj n GLN 144 N 0.00 0.00 -0.06 3.44 6.02 -1.26 0.18 117.38 125.70 1jqj n GLN 144 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1jqj n GLN 144 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 1jqj n GLN 144 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jqj h ALA 145 N 0.00 0.25 0.00 -1.58 0.00 -2.04 -3.21 119.26 112.68 1jqj h ALA 145 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jqj h ALA 145 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jqj h ALA 145 CO 0.00 0.16 0.00 1.96 0.00 0.00 0.00 179.25 181.37 1jqj h GLN 146 N 0.06 0.00 -0.32 0.00 1.08 -1.43 -3.25 115.11 111.24 1jqj h GLN 146 Ca 0.03 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1jqj h GLN 146 Cb 0.71 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 1jqj h GLN 146 CO 0.04 0.00 0.07 1.25 -0.95 0.00 0.00 178.83 179.24 1jqj h LEU 147 N 0.00 0.50 0.02 1.46 5.85 0.19 -2.93 115.31 120.40 1jqj h LEU 147 Ca 0.00 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1jqj h LEU 147 Cb 0.44 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1jqj h LEU 147 CO 0.00 0.62 -0.27 -0.65 -0.34 0.00 0.00 178.44 177.80 1jqj h PRO 148 N 0.37 -0.33 -0.95 5.25 0.11 -1.72 -1.66 132.00 133.06 1jqj h PRO 148 Ca 0.10 0.02 0.23 0.00 0.11 0.00 0.00 66.00 66.46 1jqj h PRO 148 Cb 0.32 0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.43 1jqj h PRO 148 CO 0.00 -0.22 0.63 0.07 -0.21 0.00 0.00 178.00 178.27 1jqj h ARG 149 N -0.35 0.38 -0.51 1.05 0.11 -1.77 0.99 114.38 114.28 1jqj h ARG 149 Ca 0.00 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 60.07 1jqj h ARG 149 Cb 0.37 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.34 1jqj h ARG 149 CO -0.17 0.25 0.34 2.35 0.10 0.00 0.00 179.97 182.84 1jqj h TRP 150 N 0.39 0.63 0.00 4.08 7.01 -1.14 0.39 115.95 127.32 1jqj h TRP 150 Ca 0.51 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.52 1jqj h TRP 150 Cb 1.30 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 28.15 1jqj h TRP 150 CO -0.00 0.39 -0.00 0.28 -2.79 0.00 0.00 178.44 176.32 1jqj h VAL 151 N 0.68 1.71 -0.70 2.65 2.07 0.16 -1.98 116.25 120.84 1jqj h VAL 151 Ca 0.19 -2.23 0.14 0.00 0.82 0.00 0.00 66.70 65.62 1jqj h VAL 151 Cb -0.07 3.20 -0.13 0.00 -1.52 0.00 0.00 31.29 32.77 1jqj h VAL 151 CO -0.04 0.57 -0.16 0.00 0.02 0.00 0.00 177.57 177.96 1jqj h ALA 152 N -0.01 0.48 -1.00 1.67 0.00 0.08 0.21 119.26 120.70 1jqj h ALA 152 Ca -0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1jqj h ALA 152 Cb 0.93 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1jqj h ALA 152 CO 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.83 1jqj n ALA 153 N -3.15 -0.30 -0.22 0.00 0.00 0.13 -1.94 120.51 115.03 1jqj n ALA 153 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.67 1jqj n ALA 153 Cb 0.36 0.04 0.25 0.00 0.00 0.00 0.00 19.45 20.11 1jqj n ALA 153 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jqj n ARG 154 N -1.59 -0.05 0.40 0.00 3.00 -0.74 0.14 116.66 117.82 1jqj n ARG 154 Ca 0.00 0.96 -0.19 0.00 -0.00 0.00 0.00 57.85 58.63 1jqj n ARG 154 Cb 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 32.46 30.78 1jqj n ARG 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jqj h ALA 155 N 1.32 -1.03 -0.56 5.13 0.00 -0.46 -3.03 119.26 120.64 1jqj h ALA 155 Ca 0.45 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1jqj h ALA 155 Cb 1.02 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 19.15 1jqj h ALA 155 CO -0.59 -1.09 -0.08 -0.22 0.00 0.00 0.00 179.25 177.28 1jqj h LYS 156 N -1.02 0.04 0.00 0.00 3.64 0.20 0.48 116.57 119.90 1jqj h LYS 156 Ca -0.10 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1jqj h LYS 156 Cb 0.80 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1jqj h LYS 156 CO 0.14 0.03 0.00 0.00 -2.27 0.00 0.00 179.45 177.35 1jqj n GLN 157 N -5.33 0.42 0.00 1.90 10.64 -0.56 0.10 117.38 124.54 1jqj n GLN 157 Ca 0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 1jqj n GLN 157 Cb 0.30 -1.07 0.00 0.00 -0.86 0.00 0.00 30.24 28.61 1jqj n GLN 157 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1jqj n LEU 158 N -0.57 1.11 -3.31 2.61 4.77 0.16 -5.01 117.00 116.77 1jqj n LEU 158 Ca 0.01 -1.11 -0.16 0.00 -0.03 0.00 0.00 56.01 54.72 1jqj n LEU 158 Cb 0.01 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1jqj n LEU 158 CO 0.01 0.28 0.10 0.59 -1.33 0.00 0.00 177.39 177.03 1jqj n ASN 159 N -0.08 -2.63 -4.46 -1.43 3.02 0.28 -5.02 115.26 104.93 1jqj n ASN 159 Ca 0.00 -0.61 -0.29 0.00 -0.03 0.00 0.00 54.58 53.66 1jqj n ASN 159 Cb 0.05 -4.96 -0.12 0.00 -0.61 0.00 0.00 39.78 34.14 1jqj n ASN 159 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jqj s LEU 160 N -6.07 2.60 -0.67 3.41 1.02 -1.06 -4.96 118.68 112.95 1jqj s LEU 160 Ca 0.06 -0.65 -0.00 0.00 0.02 0.00 0.00 54.13 53.56 1jqj s LEU 160 Cb -0.01 -1.43 0.41 0.00 0.02 0.00 0.00 46.19 45.19 1jqj s LEU 160 CO 0.70 0.17 1.85 -0.62 0.02 0.00 0.00 176.35 178.47 1jqj n GLU 161 N 0.69 2.89 -1.55 1.70 1.02 -0.65 -4.28 120.64 120.46 1jqj n GLU 161 Ca -0.15 -3.58 -0.50 0.00 -0.02 0.00 0.00 57.16 52.90 1jqj n GLU 161 Cb 0.53 -2.28 -0.04 0.00 -0.02 0.00 0.00 31.44 29.63 1jqj n GLU 161 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1jqj n LEU 162 N -0.72 1.04 -4.85 -4.62 0.00 -1.26 -4.16 117.00 102.42 1jqj n LEU 162 Ca 0.55 1.14 -0.32 0.00 0.00 0.00 0.00 56.01 57.39 1jqj n LEU 162 Cb 0.54 -1.15 -0.04 0.00 0.00 0.00 0.00 43.42 42.77 1jqj n LEU 162 CO 0.61 -1.56 0.53 -1.81 0.00 0.00 0.00 177.39 175.15 1jqj s ASP 163 N -0.13 6.65 0.14 1.96 1.11 -1.09 -4.93 116.67 120.39 1jqj s ASP 163 Ca 0.74 1.35 -0.26 0.00 0.18 0.00 0.00 52.55 54.56 1jqj s ASP 163 Cb -0.91 -2.41 -0.02 0.00 1.07 0.00 0.00 42.92 40.65 1jqj s ASP 163 CO 0.53 -0.41 1.61 0.44 1.18 0.00 0.00 175.17 178.53 1jqj h ASP 164 N 1.44 -0.99 0.42 0.27 3.32 -1.94 -0.61 116.42 118.34 1jqj h ASP 164 Ca -0.47 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1jqj h ASP 164 Cb 1.18 0.42 -0.02 0.00 0.22 0.00 0.00 39.33 41.14 1jqj h ASP 164 CO 0.63 -0.36 -0.35 0.00 -1.72 0.00 0.00 179.24 177.45 1jqj h ALA 165 N 0.43 -0.79 -0.48 3.45 0.00 -1.99 -2.56 119.26 117.33 1jqj h ALA 165 Ca 0.10 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1jqj h ALA 165 Cb 0.54 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1jqj h ALA 165 CO -0.35 -0.97 0.36 0.00 0.00 0.00 0.00 179.25 178.29 1jqj h ALA 166 N -0.33 2.39 -0.10 0.00 0.00 -1.83 -0.39 119.26 119.00 1jqj h ALA 166 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1jqj h ALA 166 Cb 0.67 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1jqj h ALA 166 CO -0.02 -0.61 0.03 -0.97 0.00 0.00 0.00 179.25 177.68 1jqj h ASN 167 N 0.00 0.14 -0.46 0.00 -1.24 -0.70 -2.08 115.58 111.25 1jqj h ASN 167 Ca 0.23 -0.22 0.04 0.00 0.71 0.00 0.00 56.30 57.06 1jqj h ASN 167 Cb 0.95 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.92 1jqj h ASN 167 CO -0.00 0.33 0.22 1.56 -1.29 0.00 0.00 177.43 178.24 1jqj h GLN 168 N -0.05 0.42 0.25 6.67 1.08 -0.92 -1.08 115.11 121.48 1jqj h GLN 168 Ca 0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1jqj h GLN 168 Cb 0.24 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 1jqj h GLN 168 CO -0.00 0.28 -0.50 0.28 -0.95 0.00 0.00 178.83 177.94 1jqj h VAL 169 N 0.43 0.00 -1.02 -0.54 2.07 -1.18 0.25 116.25 116.26 1jqj h VAL 169 Ca 0.20 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.98 1jqj h VAL 169 Cb 0.13 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.78 1jqj h VAL 169 CO -0.16 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 177.98 1jqj h LEU 170 N -0.80 0.59 -0.75 2.57 3.38 -1.13 0.35 115.31 119.52 1jqj h LEU 170 Ca -0.03 0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1jqj h LEU 170 Cb 0.76 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1jqj h LEU 170 CO -0.20 0.07 -0.09 0.00 0.09 0.00 0.00 178.44 178.32 1jqj h TYR 172 N 0.78 1.03 0.00 0.00 5.03 0.30 -0.71 116.97 123.40 1jqj h TYR 172 Ca 0.13 -0.23 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1jqj h TYR 172 Cb 0.59 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.62 1jqj h TYR 172 CO 0.03 1.01 -1.06 0.00 -1.32 0.00 0.00 178.16 176.83 1jqj n TYR 174 N -2.56 0.00 -0.36 0.00 4.02 -0.95 -5.05 117.16 112.27 1jqj n TYR 174 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.73 1jqj n TYR 174 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.83 1jqj n TYR 174 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1jqj n GLU 175 N -0.26 0.00 0.00 -0.72 2.13 -0.27 -0.05 120.64 121.47 1jqj n GLU 175 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1jqj n GLU 175 Cb 0.11 -0.37 0.00 0.00 0.27 0.00 0.00 31.44 31.45 1jqj n GLU 175 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jqj n GLY 176 N 1.49 3.36 3.27 8.31 0.00 -1.26 -3.64 105.19 116.73 1jqj n GLY 176 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1jqj n GLY 176 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jqj s ASN 177 N -0.62 6.14 0.17 1.61 3.84 0.92 -4.40 114.94 122.60 1jqj s ASN 177 Ca 0.00 -2.19 -0.13 0.00 0.21 0.00 0.00 52.86 50.75 1jqj s ASN 177 Cb 0.00 -2.13 0.07 0.00 -0.55 0.00 0.00 41.25 38.64 1jqj s ASN 177 CO 0.00 -0.69 1.76 -0.07 -2.79 0.00 0.00 177.10 175.31 1jqj h LEU 178 N 8.27 0.74 -0.98 3.21 -0.00 -1.84 -2.74 115.31 121.98 1jqj h LEU 178 Ca -0.13 -0.13 0.10 0.00 -0.00 0.00 0.00 57.88 57.72 1jqj h LEU 178 Cb 1.06 -0.19 -0.08 0.00 -0.00 0.00 0.00 40.66 41.46 1jqj h LEU 178 CO 0.88 0.66 0.61 0.25 -0.00 0.00 0.00 178.44 180.84 1jqj h LEU 179 N 0.77 0.93 0.01 1.67 5.85 -1.93 0.12 115.31 122.73 1jqj h LEU 179 Ca 0.20 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1jqj h LEU 179 Cb 0.11 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1jqj h LEU 179 CO -0.03 0.53 -0.00 0.00 -0.34 0.00 0.00 178.44 178.60 1jqj h ALA 180 N 1.50 -0.01 -0.95 1.25 0.00 -1.83 -0.80 119.26 118.43 1jqj h ALA 180 Ca 0.46 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1jqj h ALA 180 Cb 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1jqj h ALA 180 CO -0.23 -0.36 0.61 -0.07 0.00 0.00 0.00 179.25 179.20 1jqj h LEU 181 N -0.30 1.01 0.15 0.00 3.38 -1.14 0.48 115.31 118.89 1jqj h LEU 181 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1jqj h LEU 181 Cb 0.29 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1jqj h LEU 181 CO 0.00 0.68 -0.07 0.00 0.09 0.00 0.00 178.44 179.14 1jqj h ALA 182 N 1.40 -0.95 -0.65 1.53 0.00 -0.65 -1.89 119.26 118.05 1jqj h ALA 182 Ca 0.39 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.44 1jqj h ALA 182 Cb 0.05 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1jqj h ALA 182 CO -0.14 -0.94 0.51 1.96 0.00 0.00 0.00 179.25 180.65 1jqj h GLN 183 N -0.22 0.00 0.48 0.00 4.20 -1.05 0.09 115.11 118.60 1jqj h GLN 183 Ca -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1jqj h GLN 183 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1jqj h GLN 183 CO 0.03 0.00 -0.25 0.00 -0.67 0.00 0.00 178.83 177.94 1jqj h ALA 184 N 1.58 -1.15 -0.55 3.87 0.00 0.13 -1.47 119.26 121.67 1jqj h ALA 184 Ca 0.31 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1jqj h ALA 184 Cb 1.34 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 19.33 1jqj h ALA 184 CO -0.00 -1.11 -0.15 -0.07 0.00 0.00 0.00 179.25 177.92 1jqj h LEU 185 N -0.67 -0.54 -0.81 0.00 3.38 -0.22 0.18 115.31 116.64 1jqj h LEU 185 Ca -0.07 0.17 0.19 0.00 0.09 0.00 0.00 57.88 58.27 1jqj h LEU 185 Cb 0.53 0.35 -0.12 0.00 0.09 0.00 0.00 40.66 41.50 1jqj h LEU 185 CO 0.09 -0.19 0.23 -0.33 0.09 0.00 0.00 178.44 178.34 1jqj h GLU 186 N -0.01 0.27 0.48 1.13 5.08 -1.01 0.46 114.58 120.98 1jqj h GLU 186 Ca 0.26 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1jqj h GLU 186 Cb 0.41 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1jqj h GLU 186 CO -0.57 0.18 -0.23 -0.09 -1.00 0.00 0.00 179.01 177.30 1jqj h ARG 187 N 0.28 -0.62 -0.83 2.33 2.43 0.42 -2.93 114.38 115.46 1jqj h ARG 187 Ca 0.48 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.83 1jqj h ARG 187 Cb 0.89 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.52 1jqj h ARG 187 CO -0.56 -0.31 0.54 -0.07 -1.51 0.00 0.00 179.97 178.06 1jqj h LEU 188 N -0.95 0.58 -0.54 3.80 4.07 -0.86 -0.71 115.31 120.69 1jqj h LEU 188 Ca -0.07 0.03 0.11 0.00 0.08 0.00 0.00 57.88 58.03 1jqj h LEU 188 Cb 0.59 -0.08 -0.10 0.00 1.08 0.00 0.00 40.66 42.14 1jqj h LEU 188 CO 0.11 0.30 -0.14 -1.28 -1.08 0.00 0.00 178.44 176.35 1jqj h SER 189 N 0.62 -0.53 0.63 -0.43 0.87 -0.77 -0.16 113.55 113.78 1jqj h SER 189 Ca 0.41 0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.99 1jqj h SER 189 Cb 0.71 0.34 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 1jqj h SER 189 CO -0.17 -0.19 -0.67 -0.07 -0.53 0.00 0.00 176.83 175.21 1jqj h LEU 190 N -0.01 0.04 -0.76 2.23 -0.00 -0.98 -2.98 115.31 112.85 1jqj h LEU 190 Ca 0.26 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1jqj h LEU 190 Cb 0.40 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1jqj h LEU 190 CO -0.56 0.70 0.00 -0.07 -0.00 0.00 0.00 178.44 178.51 1jqj h LEU 191 N 0.02 0.00 -6.29 1.67 3.38 -0.37 -3.38 115.31 110.35 1jqj h LEU 191 Ca -0.01 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 1jqj h LEU 191 Cb 1.19 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.63 1jqj h LEU 191 CO 0.09 0.00 -0.72 0.26 0.09 0.00 0.00 178.44 178.16 1jqj s TRP 192 N -3.38 -0.15 0.43 1.13 0.52 -0.21 -4.93 118.94 112.35 1jqj s TRP 192 Ca 0.05 -1.04 0.39 0.00 0.02 0.00 0.00 56.10 55.52 1jqj s TRP 192 Cb 0.09 -0.45 2.08 0.00 -1.15 0.00 0.00 33.47 34.04 1jqj s TRP 192 CO 0.50 -0.96 2.20 -1.35 0.02 0.00 0.00 176.95 177.35 1jqj h PRO 193 N 6.76 0.00 -0.95 4.98 0.11 -1.74 0.12 132.00 141.28 1jqj h PRO 193 Ca 0.08 0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.43 1jqj h PRO 193 Cb 1.04 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.02 1jqj h PRO 193 CO 0.21 0.00 0.49 0.22 -0.21 0.00 0.00 178.00 178.71 1jqj h ASP 194 N 0.00 0.48 0.00 -2.05 1.82 -1.92 -3.45 116.42 111.30 1jqj h ASP 194 Ca 0.00 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 1jqj h ASP 194 Cb 0.06 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1jqj h ASP 194 CO 0.00 0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.25 1jqj n GLY 195 N -1.32 1.17 3.35 -0.78 0.00 0.43 -5.03 105.19 103.01 1jqj n GLY 195 Ca 0.25 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 1jqj n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jqj s LYS 196 N -0.59 3.12 -1.11 1.61 1.02 -1.26 -1.63 119.74 120.90 1jqj s LYS 196 Ca 0.00 -1.65 -0.19 0.00 0.02 0.00 0.00 55.97 54.15 1jqj s LYS 196 Cb 0.00 -4.33 0.09 0.00 -0.52 0.00 0.00 37.83 33.07 1jqj s LYS 196 CO 0.00 -1.44 1.45 -0.51 -0.92 0.00 0.00 175.35 173.93 1jqj s LEU 197 N 1.93 4.20 0.69 3.17 1.43 -1.26 -4.97 118.68 123.86 1jqj s LEU 197 Ca 0.10 -2.11 -0.10 0.00 -1.03 0.00 0.00 54.13 50.99 1jqj s LEU 197 Cb -0.24 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.50 1jqj s LEU 197 CO 0.02 -1.19 1.05 0.42 0.23 0.00 0.00 176.35 176.88 1jqj s THR 198 N 3.69 3.29 0.14 5.49 -4.23 -1.26 -2.66 115.64 120.10 1jqj s THR 198 Ca 0.45 0.26 -0.28 0.00 -1.18 0.00 0.00 61.69 60.93 1jqj s THR 198 Cb -0.00 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 1jqj s THR 198 CO -0.03 -0.48 1.58 0.25 -0.54 0.00 0.00 174.62 175.39 1jqj h LEU 199 N -0.58 -1.39 -0.81 4.79 5.85 -1.94 -1.35 115.31 119.88 1jqj h LEU 199 Ca -0.45 0.20 0.19 0.00 0.84 0.00 0.00 57.88 58.66 1jqj h LEU 199 Cb 1.27 0.58 -0.14 0.00 0.37 0.00 0.00 40.66 42.74 1jqj h LEU 199 CO 0.63 -0.40 0.01 -0.65 -0.34 0.00 0.00 178.44 177.69 1jqj h PRO 200 N -0.42 0.09 -0.56 5.25 0.11 -1.99 0.63 132.00 135.11 1jqj h PRO 200 Ca 0.10 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.11 1jqj h PRO 200 Cb 0.61 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1jqj h PRO 200 CO -0.48 0.06 -0.03 0.00 -0.21 0.00 0.00 178.00 177.34 1jqj h ARG 201 N 0.09 0.99 0.37 1.05 3.08 -1.65 0.34 114.38 118.66 1jqj h ARG 201 Ca 0.45 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1jqj h ARG 201 Cb 0.83 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1jqj h ARG 201 CO -0.72 0.99 -0.18 0.28 -1.07 0.00 0.00 179.97 179.27 1jqj h VAL 202 N 0.91 0.64 -0.25 2.04 2.07 -0.13 0.50 116.25 122.03 1jqj h VAL 202 Ca 0.16 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1jqj h VAL 202 Cb 0.57 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 1jqj h VAL 202 CO 0.03 0.04 -0.34 -0.08 0.02 0.00 0.00 177.57 177.24 1jqj h GLU 203 N -0.61 -0.34 -0.47 1.57 4.81 -0.82 0.36 114.58 119.08 1jqj h GLU 203 Ca -0.05 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1jqj h GLU 203 Cb 0.45 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1jqj h GLU 203 CO 0.08 -0.22 0.32 0.37 -0.73 0.00 0.00 179.01 178.83 1jqj h GLN 204 N -0.35 0.24 -0.11 1.92 4.15 -0.09 1.06 115.11 121.93 1jqj h GLN 204 Ca 0.12 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.36 1jqj h GLN 204 Cb 0.55 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1jqj h GLN 204 CO -0.44 0.16 -0.65 0.00 -1.93 0.00 0.00 178.83 175.97 1jqj h ALA 205 N 1.76 0.65 0.08 3.38 0.00 0.37 -2.96 119.26 122.54 1jqj h ALA 205 Ca 0.22 -0.57 -0.23 0.00 0.00 0.00 0.00 54.91 54.33 1jqj h ALA 205 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1jqj h ALA 205 CO -0.04 0.73 -1.20 0.28 0.00 0.00 0.00 179.25 179.02 1jqj h VAL 206 N 0.32 1.12 0.00 0.00 2.07 0.96 -3.36 116.25 117.36 1jqj h VAL 206 Ca -0.02 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1jqj h VAL 206 Cb 1.21 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 1jqj h VAL 206 CO 0.11 0.63 0.00 0.59 0.02 0.00 0.00 177.57 178.92 1jqj n ASN 207 N -4.10 0.00 -0.12 0.57 5.03 0.35 -4.35 115.26 112.64 1jqj n ASN 207 Ca -0.24 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.22 1jqj n ASN 207 Cb 0.81 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.60 1jqj n ASN 207 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1jqj n ASP 208 N 0.00 -0.16 -4.72 6.41 4.64 -1.13 -4.07 116.55 117.51 1jqj n ASP 208 Ca 0.00 0.57 -0.42 0.00 -1.38 0.00 0.00 54.79 53.56 1jqj n ASP 208 Cb 0.00 -0.15 -0.03 0.00 -1.04 0.00 0.00 41.12 39.90 1jqj n ASP 208 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1jqj s ALA 209 N -5.36 3.40 -0.38 -1.67 0.00 -1.14 -4.92 121.76 111.68 1jqj s ALA 209 Ca -0.05 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.78 1jqj s ALA 209 Cb 0.08 -3.42 0.37 0.00 0.00 0.00 0.00 23.12 20.15 1jqj s ALA 209 CO 0.25 -0.37 1.84 0.00 0.00 0.00 0.00 175.76 177.48 1jqj n ALA 210 N 3.25 5.13 -1.26 0.00 0.00 -1.26 -4.29 120.51 122.08 1jqj n ALA 210 Ca 0.06 -2.16 -0.25 0.00 0.00 0.00 0.00 53.44 51.09 1jqj n ALA 210 Cb 0.46 -1.42 0.17 0.00 0.00 0.00 0.00 19.45 18.65 1jqj n ALA 210 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jqj n HIS 211 N -0.35 3.01 -3.38 0.00 8.25 -1.26 -4.65 115.22 116.84 1jqj n HIS 211 Ca 0.41 -2.02 -0.45 0.00 -0.26 0.00 0.00 57.72 55.41 1jqj n HIS 211 Cb 0.92 -1.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.01 1jqj n HIS 211 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1jqj s PHE 212 N -3.38 3.90 0.22 4.41 5.36 -1.26 -4.96 117.98 122.27 1jqj s PHE 212 Ca 0.58 -2.33 -0.07 0.00 -0.96 0.00 0.00 56.93 54.15 1jqj s PHE 212 Cb 0.48 -3.75 0.35 0.00 -0.34 0.00 0.00 43.02 39.77 1jqj s PHE 212 CO 0.09 -0.95 1.23 2.41 -1.46 0.00 0.00 175.22 176.54 1jqj n THR 213 N 3.44 -0.34 -0.29 0.12 -1.04 -1.26 -0.60 114.28 114.32 1jqj n THR 213 Ca 0.17 1.81 0.27 0.00 -2.04 0.00 0.00 64.05 64.26 1jqj n THR 213 Cb 0.43 -2.50 0.62 0.00 -1.82 0.00 0.00 70.33 67.06 1jqj n THR 213 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1jqj h PRO 214 N 0.00 0.21 -0.26 -2.82 0.13 -1.97 1.16 132.00 128.44 1jqj h PRO 214 Ca 0.37 -0.01 0.08 0.00 -0.87 0.00 0.00 66.00 65.57 1jqj h PRO 214 Cb 0.57 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1jqj h PRO 214 CO -0.81 0.14 0.22 0.74 -0.23 0.00 0.00 178.00 178.06 1jqj h PHE 215 N 0.21 0.00 -0.15 1.56 0.05 -1.23 0.63 116.94 118.00 1jqj h PHE 215 Ca 0.54 0.00 -0.17 0.00 3.82 0.00 0.00 57.97 62.16 1jqj h PHE 215 Cb 1.72 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.66 1jqj h PHE 215 CO -0.00 0.00 -0.63 0.45 -0.18 0.00 0.00 178.31 177.95 1jqj h HIS 216 N 0.00 0.69 0.15 -0.55 3.86 0.13 -1.32 115.15 118.11 1jqj h HIS 216 Ca 0.12 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1jqj h HIS 216 Cb 0.57 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1jqj h HIS 216 CO 0.00 1.02 -0.07 2.35 0.86 0.00 0.00 177.93 182.09 1jqj h TRP 217 N 0.39 -0.19 -0.53 2.45 7.01 -0.25 -2.36 115.95 122.48 1jqj h TRP 217 Ca -0.01 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.14 1jqj h TRP 217 Cb 1.19 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 28.29 1jqj h TRP 217 CO 0.05 0.20 0.53 0.28 -2.79 0.00 0.00 178.44 176.71 1jqj h VAL 218 N -0.94 0.37 0.09 2.65 2.07 -0.04 0.30 116.25 120.76 1jqj h VAL 218 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1jqj h VAL 218 Cb 0.48 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1jqj h VAL 218 CO 0.03 0.00 -0.04 -0.78 0.02 0.00 0.00 177.57 176.80 1jqj h ASP 219 N 0.00 -0.10 -0.42 0.57 3.58 -1.13 -2.86 116.42 116.06 1jqj h ASP 219 Ca 0.25 -0.38 0.07 0.00 0.42 0.00 0.00 57.03 57.39 1jqj h ASP 219 Cb 1.31 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.36 1jqj h ASP 219 CO -0.00 0.34 0.28 0.00 -2.88 0.00 0.00 179.24 176.98 1jqj h ALA 220 N 0.25 2.04 0.42 -0.78 0.00 0.10 -1.86 119.26 119.43 1jqj h ALA 220 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1jqj h ALA 220 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jqj h ALA 220 CO 0.02 -0.13 -0.20 -0.07 0.00 0.00 0.00 179.25 178.87 1jqj h LEU 221 N 0.27 -0.47 0.11 0.00 3.38 -1.19 1.48 115.31 118.89 1jqj h LEU 221 Ca 0.19 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1jqj h LEU 221 Cb 0.39 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1jqj h LEU 221 CO -0.04 -0.21 -0.34 -0.07 0.09 0.00 0.00 178.44 177.87 1jqj h LEU 222 N -0.73 -1.01 0.00 1.67 3.38 -1.20 0.18 115.31 117.61 1jqj h LEU 222 Ca -0.06 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jqj h LEU 222 Cb 0.52 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1jqj h LEU 222 CO 0.09 -0.37 0.00 0.23 0.09 0.00 0.00 178.44 178.48 1jqj n MET 223 N -4.38 0.00 -3.99 1.13 2.81 -0.75 -4.07 117.12 107.87 1jqj n MET 223 Ca -0.06 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.54 1jqj n MET 223 Cb 0.27 -1.26 -0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1jqj n MET 223 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jqj n GLY 224 N -0.73 -0.37 2.92 3.03 0.00 0.64 -4.86 105.19 105.83 1jqj n GLY 224 Ca 0.00 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1jqj n GLY 224 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jqj n LYS 225 N -4.46 4.41 0.12 1.61 4.81 0.49 -4.91 118.16 120.24 1jqj n LYS 225 Ca -0.10 -4.32 -0.09 0.00 -0.87 0.00 0.00 58.31 52.93 1jqj n LYS 225 Cb 0.59 -2.59 -0.05 0.00 0.02 0.00 0.00 35.03 32.99 1jqj n LYS 225 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1jqj h SER 226 N 5.35 -0.72 0.00 3.14 4.64 -1.89 0.13 113.55 124.19 1jqj h SER 226 Ca 0.29 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1jqj h SER 226 Cb 0.58 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1jqj h SER 226 CO 1.39 -0.31 0.00 0.29 -0.87 0.00 0.00 176.83 177.33 1jqj n LYS 227 N -3.89 0.00 0.33 4.77 4.01 -1.26 0.18 118.16 122.30 1jqj n LYS 227 Ca -0.05 0.38 0.12 0.00 -0.51 0.00 0.00 58.31 58.24 1jqj n LYS 227 Cb 0.22 -1.07 0.65 0.00 -0.51 0.00 0.00 35.03 34.32 1jqj n LYS 227 CO 0.00 0.00 0.00 0.07 -1.11 0.00 0.00 177.40 176.36 1jqj h ARG 228 N 0.00 0.00 -0.06 1.97 -0.00 -2.00 0.26 114.38 114.55 1jqj h ARG 228 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.89 1jqj h ARG 228 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1jqj h ARG 228 CO 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 179.97 179.66 1jqj h ALA 229 N 1.06 0.12 -0.74 0.08 0.00 0.12 -3.02 119.26 116.88 1jqj h ALA 229 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1jqj h ALA 229 Cb 0.94 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1jqj h ALA 229 CO 0.00 0.17 0.49 -0.07 0.00 0.00 0.00 179.25 179.84 1jqj h LEU 230 N -0.20 0.85 -0.19 0.00 4.07 0.33 -1.40 115.31 118.78 1jqj h LEU 230 Ca -0.02 -0.02 0.03 0.00 0.08 0.00 0.00 57.88 57.95 1jqj h LEU 230 Cb 0.96 -0.21 -0.07 0.00 1.08 0.00 0.00 40.66 42.42 1jqj h LEU 230 CO 0.06 0.62 -0.54 -0.74 -1.08 0.00 0.00 178.44 176.76 1jqj h HIS 231 N 1.00 -1.61 -0.96 1.13 -0.00 -1.44 0.47 115.15 113.74 1jqj h HIS 231 Ca 0.27 0.06 0.16 0.00 -0.00 0.00 0.00 60.37 60.87 1jqj h HIS 231 Cb -0.11 0.73 -0.10 0.00 -0.00 0.00 0.00 27.41 27.92 1jqj h HIS 231 CO -0.02 -0.53 0.57 0.82 -0.00 0.00 0.00 177.93 178.76 1jqj h ILE 232 N -0.55 0.76 -0.82 6.26 2.04 -1.32 0.26 117.51 124.14 1jqj h ILE 232 Ca 0.04 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1jqj h ILE 232 Cb 0.67 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1jqj h ILE 232 CO -0.47 0.14 0.42 0.25 0.00 0.00 0.00 178.15 178.50 1jqj h LEU 233 N 0.78 1.04 0.29 1.44 5.85 0.24 0.79 115.31 125.74 1jqj h LEU 233 Ca 0.53 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 1jqj h LEU 233 Cb 0.74 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1jqj h LEU 233 CO -0.35 0.85 -0.14 1.56 -0.34 0.00 0.00 178.44 180.02 1jqj h GLN 234 N 1.15 -0.38 -0.77 1.25 7.50 0.33 -3.15 115.11 121.05 1jqj h GLN 234 Ca 0.29 0.03 0.17 0.00 0.50 0.00 0.00 58.65 59.63 1jqj h GLN 234 Cb 0.07 0.09 -0.14 0.00 0.05 0.00 0.00 27.48 27.55 1jqj h GLN 234 CO -0.04 -0.25 -0.06 1.96 -1.50 0.00 0.00 178.83 178.94 1jqj h GLN 235 N -0.43 0.06 0.00 1.46 4.20 -1.20 0.52 115.11 119.71 1jqj h GLN 235 Ca -0.04 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1jqj h GLN 235 Cb 0.30 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1jqj h GLN 235 CO 0.07 0.04 0.65 -0.07 -0.67 0.00 0.00 178.83 178.84 1jqj h LEU 236 N 0.06 0.00 -2.55 1.46 3.38 -0.79 1.27 115.31 118.14 1jqj h LEU 236 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1jqj h LEU 236 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1jqj h LEU 236 CO -0.72 0.00 0.00 -2.11 0.09 0.00 0.00 178.44 175.70 1jqj n ARG 237 N -2.09 2.25 -0.71 1.13 1.85 0.18 -3.08 116.66 116.19 1jqj n ARG 237 Ca -0.00 -1.27 -0.00 0.00 -1.00 0.00 0.00 57.85 55.57 1jqj n ARG 237 Cb 0.66 -0.93 0.24 0.00 -1.05 0.00 0.00 32.46 31.37 1jqj n ARG 237 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1jqj n LEU 238 N -0.39 4.42 0.00 2.89 4.77 0.43 -3.75 117.00 125.37 1jqj n LEU 238 Ca 0.00 -3.38 0.00 0.00 -0.03 0.00 0.00 56.01 52.60 1jqj n LEU 238 Cb 0.26 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1jqj n LEU 238 CO 0.00 0.95 -0.08 -0.62 -1.33 0.00 0.00 177.39 176.31 1jqj n GLU 239 N -0.76 3.15 -0.38 3.23 1.02 -1.09 -5.01 120.64 120.80 1jqj n GLU 239 Ca 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1jqj n GLU 239 Cb 1.06 -0.39 0.00 0.00 -0.02 0.00 0.00 31.44 32.09 1jqj n GLU 239 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jqj n GLY 240 N 0.66 0.80 3.72 0.62 0.00 -1.25 -4.32 105.19 105.43 1jqj n GLY 240 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1jqj n GLY 240 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jqj s SER 241 N -2.09 6.91 -0.08 1.61 0.15 -1.18 -3.47 113.70 115.56 1jqj s SER 241 Ca 0.00 2.30 -0.27 0.00 0.70 0.00 0.00 55.95 58.68 1jqj s SER 241 Cb 0.00 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1jqj s SER 241 CO 0.00 -0.56 0.88 -0.70 1.20 0.00 0.00 173.24 174.06 1jqj s GLU 242 N 0.55 4.44 0.47 5.44 2.12 -1.24 -4.67 118.70 125.81 1jqj s GLU 242 Ca 0.60 1.18 0.20 0.00 0.36 0.00 0.00 54.97 57.31 1jqj s GLU 242 Cb -0.35 -3.50 1.21 0.00 0.26 0.00 0.00 34.13 31.75 1jqj s GLU 242 CO 0.33 -0.14 1.94 -1.00 -0.54 0.00 0.00 175.26 175.86 1jqj h PRO 243 N 6.97 0.22 0.00 4.30 0.13 -1.94 -2.87 132.00 138.82 1jqj h PRO 243 Ca -0.36 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1jqj h PRO 243 Cb 1.18 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jqj h PRO 243 CO 0.79 0.15 0.08 0.28 -0.23 0.00 0.00 178.00 179.07 1jqj n VAL 244 N -4.43 0.37 -0.11 1.56 0.31 -1.26 -1.13 118.33 113.64 1jqj n VAL 244 Ca 0.13 0.17 -0.21 0.00 -0.01 0.00 0.00 64.34 64.43 1jqj n VAL 244 Cb 0.60 -1.17 -0.09 0.00 -0.91 0.00 0.00 33.84 32.27 1jqj n VAL 244 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jqj n ILE 245 N -0.94 1.23 -0.27 2.52 0.00 -1.08 -4.30 119.36 116.52 1jqj n ILE 245 Ca 0.00 -0.37 0.11 0.00 0.00 0.00 0.00 62.75 62.49 1jqj n ILE 245 Cb 0.08 -1.59 0.37 0.00 0.00 0.00 0.00 39.64 38.49 1jqj n ILE 245 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1jqj h LEU 246 N -0.50 0.67 0.40 9.51 3.38 -1.33 -2.88 115.31 124.57 1jqj h LEU 246 Ca -0.54 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1jqj h LEU 246 Cb 1.59 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1jqj h LEU 246 CO -0.24 0.36 -0.19 -0.07 0.09 0.00 0.00 178.44 178.38 1jqj h LEU 247 N 0.72 -0.45 -1.00 1.67 3.38 -1.78 -2.81 115.31 115.04 1jqj h LEU 247 Ca 0.43 0.02 0.41 0.00 0.09 0.00 0.00 57.88 58.83 1jqj h LEU 247 Cb 0.65 0.12 -0.18 0.00 0.09 0.00 0.00 40.66 41.34 1jqj h LEU 247 CO -0.20 -0.27 0.52 0.03 0.09 0.00 0.00 178.44 178.62 1jqj h ARG 248 N -0.64 0.01 0.44 1.13 3.08 -1.70 1.22 114.38 117.91 1jqj h ARG 248 Ca -0.05 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1jqj h ARG 248 Cb 0.41 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1jqj h ARG 248 CO 0.09 0.00 -0.21 1.79 -1.07 0.00 0.00 179.97 180.57 1jqj h THR 249 N 0.01 0.15 -0.95 2.04 1.35 -1.55 -3.25 112.91 110.71 1jqj h THR 249 Ca 0.84 -0.59 0.07 0.00 -0.55 0.00 0.00 66.41 66.17 1jqj h THR 249 Cb 2.20 0.24 -0.07 0.00 -1.73 0.00 0.00 68.15 68.79 1jqj h THR 249 CO -0.77 0.03 0.60 0.25 -0.25 0.00 0.00 175.52 175.38 1jqj h LEU 250 N -1.11 0.96 0.00 3.87 5.85 -0.90 0.46 115.31 124.44 1jqj h LEU 250 Ca -0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1jqj h LEU 250 Cb 0.51 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1jqj h LEU 250 CO 0.10 0.61 0.00 1.67 -0.34 0.00 0.00 178.44 180.48 1jqj n GLN 251 N -4.55 0.00 0.02 1.25 0.00 0.41 0.25 117.38 114.75 1jqj n GLN 251 Ca 0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 57.12 1jqj n GLN 251 Cb 0.19 -1.33 -0.01 0.00 0.00 0.00 0.00 30.24 29.09 1jqj n GLN 251 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1jqj n ARG 252 N -0.82 0.11 -0.26 3.69 1.74 0.10 -4.03 116.66 117.20 1jqj n ARG 252 Ca 0.00 0.04 -0.02 0.00 -0.77 0.00 0.00 57.85 57.10 1jqj n ARG 252 Cb 0.00 -0.69 0.04 0.00 -1.02 0.00 0.00 32.46 30.79 1jqj n ARG 252 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1jqj h GLU 253 N -0.20 -0.08 -0.13 5.56 4.39 -0.82 0.30 114.58 123.61 1jqj h GLU 253 Ca -0.01 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1jqj h GLU 253 Cb 0.27 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 1jqj h GLU 253 CO -0.01 -0.05 -0.09 1.25 -1.16 0.00 0.00 179.01 178.95 1jqj h LEU 254 N -0.08 -0.29 -1.22 1.33 5.85 -0.47 -0.86 115.31 119.57 1jqj h LEU 254 Ca 0.30 0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.24 1jqj h LEU 254 Cb 0.57 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 1jqj h LEU 254 CO -0.77 -0.12 0.59 0.25 -0.34 0.00 0.00 178.44 178.04 1jqj h LEU 255 N -0.10 0.70 -0.06 2.25 6.46 -0.73 -0.50 115.31 123.34 1jqj h LEU 255 Ca 0.08 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1jqj h LEU 255 Cb 0.22 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1jqj h LEU 255 CO -0.19 0.34 0.01 0.25 -0.62 0.00 0.00 178.44 178.23 1jqj h LEU 256 N 0.73 0.09 -2.19 2.25 5.85 0.62 -2.07 115.31 120.59 1jqj h LEU 256 Ca 0.48 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1jqj h LEU 256 Cb 0.74 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1jqj h LEU 256 CO -0.24 0.33 0.27 -0.07 -0.34 0.00 0.00 178.44 178.40 1jqj h LEU 257 N -0.15 0.00 0.09 2.25 3.38 0.19 1.01 115.31 122.08 1jqj h LEU 257 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1jqj h LEU 257 Cb 0.28 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.04 1jqj h LEU 257 CO 0.00 0.00 -0.61 0.58 0.09 0.00 0.00 178.44 178.50 1jqj h VAL 258 N 0.00 1.56 -0.60 1.22 2.07 -0.73 0.15 116.25 119.92 1jqj h VAL 258 Ca 0.03 -2.41 -0.01 0.00 0.82 0.00 0.00 66.70 65.13 1jqj h VAL 258 Cb 0.57 3.14 -0.03 0.00 -1.52 0.00 0.00 31.29 33.45 1jqj h VAL 258 CO -0.00 0.67 0.35 0.78 0.02 0.00 0.00 177.57 179.39 1jqj h ASN 259 N -0.46 0.73 0.24 0.57 2.35 0.40 -0.35 115.58 119.07 1jqj h ASN 259 Ca -0.10 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1jqj h ASN 259 Cb 1.45 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1jqj h ASN 259 CO 0.12 0.59 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.30 1jqj h LEU 260 N 0.81 -0.28 -0.65 1.61 3.38 0.76 -3.20 115.31 117.75 1jqj h LEU 260 Ca 0.21 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.16 1jqj h LEU 260 Cb 0.00 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 1jqj h LEU 260 CO -0.04 -0.03 0.25 0.50 0.09 0.00 0.00 178.44 179.21 1jqj h LYS 261 N -0.53 0.41 0.00 1.13 1.63 -0.46 -0.38 116.57 118.38 1jqj h LYS 261 Ca -0.03 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1jqj h LYS 261 Cb 0.39 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1jqj h LYS 261 CO 0.05 0.27 0.00 -2.13 -3.45 0.00 0.00 179.45 174.20 1jqj n ARG 262 N -4.99 0.14 -2.69 1.90 0.00 -0.16 -2.60 116.66 108.26 1jqj n ARG 262 Ca 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.87 1jqj n ARG 262 Cb 0.31 -1.02 0.06 0.00 0.00 0.00 0.00 32.46 31.81 1jqj n ARG 262 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1jqj n GLN 263 N -0.52 1.15 -0.01 -0.14 6.02 -0.15 -4.79 117.38 118.93 1jqj n GLN 263 Ca 0.00 -2.70 -0.07 0.00 -0.01 0.00 0.00 57.00 54.22 1jqj n GLN 263 Cb 0.00 -0.81 0.11 0.00 1.02 0.00 0.00 30.24 30.56 1jqj n GLN 263 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1jqj h SER 264 N 2.63 0.60 0.00 1.08 4.64 -1.60 -3.28 113.55 117.62 1jqj h SER 264 Ca -0.16 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1jqj h SER 264 Cb 1.22 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1jqj h SER 264 CO 0.28 0.93 0.00 0.00 -0.87 0.00 0.00 176.83 177.17 1jqj n ALA 265 N -2.50 1.80 0.08 5.18 0.00 -1.26 -4.17 120.51 119.64 1jqj n ALA 265 Ca -0.02 -0.71 -0.11 0.00 0.00 0.00 0.00 53.44 52.60 1jqj n ALA 265 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 1jqj n ALA 265 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jqj h HIS 266 N 0.00 0.40 -0.57 0.00 6.17 -1.87 -3.43 115.15 115.85 1jqj h HIS 266 Ca 0.00 -0.24 0.22 0.00 0.71 0.00 0.00 60.37 61.06 1jqj h HIS 266 Cb 0.46 -0.04 -0.25 0.00 2.52 0.00 0.00 27.41 30.10 1jqj h HIS 266 CO 0.00 1.09 0.32 0.99 0.71 0.00 0.00 177.93 181.03 1jqj s THR 267 N -3.08 -0.31 0.49 6.26 2.01 -1.24 -5.09 115.64 114.68 1jqj s THR 267 Ca -0.04 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.04 1jqj s THR 267 Cb 0.09 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.63 1jqj s THR 267 CO 0.85 0.00 0.56 -2.16 -0.69 0.00 0.00 174.62 173.18 1jqj s PRO 268 N 2.41 2.50 -0.44 4.92 0.04 -1.26 -4.36 135.00 138.81 1jqj s PRO 268 Ca -0.01 -1.57 -0.41 0.00 0.04 0.00 0.00 61.00 59.05 1jqj s PRO 268 Cb -0.05 -2.52 -0.18 0.00 0.04 0.00 0.00 34.50 31.79 1jqj s PRO 268 CO -0.16 -0.49 1.48 -0.11 0.04 0.00 0.00 177.00 177.76 1jqj n LEU 269 N -1.88 1.03 0.10 -3.56 0.00 -1.26 0.19 117.00 111.62 1jqj n LEU 269 Ca 0.08 1.00 0.00 0.00 0.00 0.00 0.00 56.01 57.09 1jqj n LEU 269 Cb 0.61 -0.78 0.00 0.00 0.00 0.00 0.00 43.42 43.25 1jqj n LEU 269 CO 0.40 -0.74 0.55 0.54 0.00 0.00 0.00 177.39 178.14 1jqj n ARG 270 N 3.93 0.01 0.34 1.96 1.74 -1.26 -4.85 116.66 118.53 1jqj n ARG 270 Ca 0.30 0.30 -0.13 0.00 -0.77 0.00 0.00 57.85 57.54 1jqj n ARG 270 Cb -0.05 -1.76 -0.06 0.00 -1.02 0.00 0.00 32.46 29.57 1jqj n ARG 270 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jqj h ALA 271 N 0.00 -1.01 0.00 7.54 0.00 0.18 -2.48 119.26 123.49 1jqj h ALA 271 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1jqj h ALA 271 Cb 1.10 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1jqj h ALA 271 CO 0.00 -0.94 -0.65 1.25 0.00 0.00 0.00 179.25 178.91 1jqj h LEU 272 N -1.07 0.00 -1.13 0.00 5.85 -1.75 -3.25 115.31 113.97 1jqj h LEU 272 Ca -0.09 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 1jqj h LEU 272 Cb 0.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1jqj h LEU 272 CO 0.15 0.03 -0.44 0.15 -0.34 0.00 0.00 178.44 177.99 1jqj h PHE 273 N 0.00 0.00 -0.56 1.25 3.57 -1.80 -1.89 116.94 117.51 1jqj h PHE 273 Ca 0.00 -0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.18 1jqj h PHE 273 Cb 0.92 -0.00 -0.17 0.00 2.79 0.00 0.00 35.95 39.49 1jqj h PHE 273 CO 0.00 0.44 0.41 -0.25 -2.23 0.00 0.00 178.31 176.68 1jqj n ASP 274 N -4.02 4.55 0.04 0.41 8.00 -0.93 -4.06 116.55 120.53 1jqj n ASP 274 Ca -0.02 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.48 1jqj n ASP 274 Cb 0.46 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1jqj n ASP 274 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jqj n LYS 275 N -0.23 0.00 -2.60 -1.24 4.76 -0.71 -5.00 118.16 113.13 1jqj n LYS 275 Ca 0.34 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.35 1jqj n LYS 275 Cb 0.97 -0.19 -0.02 0.00 -1.84 0.00 0.00 35.03 33.95 1jqj n LYS 275 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1jqj s HIS 276 N -1.50 3.17 -1.07 2.13 3.76 -1.20 -4.91 115.29 115.68 1jqj s HIS 276 Ca 0.00 1.29 0.00 0.00 -0.15 0.00 0.00 55.06 56.20 1jqj s HIS 276 Cb 0.00 -3.46 0.00 0.00 1.11 0.00 0.00 32.58 30.23 1jqj s HIS 276 CO 0.00 -0.81 0.32 0.54 -0.85 0.00 0.00 174.74 173.94 1jqj n ARG 277 N 6.58 0.00 0.00 1.40 1.74 -1.26 -3.80 116.66 121.32 1jqj n ARG 277 Ca 0.12 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1jqj n ARG 277 Cb 0.46 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1jqj n ARG 277 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1jqj n VAL 278 N -0.82 0.29 -1.69 1.55 0.24 -1.26 -5.14 118.33 111.49 1jqj n VAL 278 Ca 0.00 0.45 -0.32 0.00 -2.04 0.00 0.00 64.34 62.43 1jqj n VAL 278 Cb 0.02 -1.45 -0.04 0.00 -1.47 0.00 0.00 33.84 30.90 1jqj n VAL 278 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1jqj s TRP 279 N -2.06 1.25 0.00 6.34 -0.00 -1.25 -4.61 118.94 118.62 1jqj s TRP 279 Ca 0.00 1.43 0.00 0.00 -0.00 0.00 0.00 56.10 57.53 1jqj s TRP 279 Cb 0.00 -3.69 0.00 0.00 -0.00 0.00 0.00 33.47 29.78 1jqj s TRP 279 CO 0.00 -2.25 0.00 0.54 -0.00 0.00 0.00 176.95 175.24 1jqj n ARG 282 N 9.00 0.00 -0.00 5.86 1.74 -1.26 -5.01 116.66 126.99 1jqj n ARG 282 Ca 0.35 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.43 1jqj n ARG 282 Cb 0.52 -1.12 -0.00 0.00 -1.02 0.00 0.00 32.46 30.84 1jqj n ARG 282 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1jqj n ARG 283 N -1.71 -0.00 -0.20 5.56 1.74 -1.26 0.62 116.66 121.40 1jqj n ARG 283 Ca 0.00 0.05 0.30 0.00 -0.77 0.00 0.00 57.85 57.43 1jqj n ARG 283 Cb 0.00 -0.07 0.72 0.00 -1.02 0.00 0.00 32.46 32.09 1jqj n ARG 283 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1jqj h GLY 284 N 0.00 0.00 0.00 -0.13 0.00 -1.95 1.63 103.07 102.62 1jqj h GLY 284 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jqj h GLY 284 CO -0.01 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.56 1jqj n MET 285 N -4.08 0.00 -0.04 4.80 2.81 2.67 -0.71 117.12 122.57 1jqj n MET 285 Ca 0.20 0.38 0.22 0.00 -1.81 0.00 0.00 57.70 56.69 1jqj n MET 285 Cb 1.07 -0.91 0.71 0.00 -0.71 0.00 0.00 33.22 33.37 1jqj n MET 285 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1jqj h MET 286 N 0.00 0.00 0.00 0.03 2.86 -1.40 1.21 114.93 117.63 1jqj h MET 286 Ca 0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1jqj h MET 286 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1jqj h MET 286 CO 0.00 0.00 -0.46 0.78 1.06 0.00 0.00 176.91 178.29 1jqj h GLY 287 N 0.00 0.00 0.82 8.32 0.00 0.23 -2.75 103.07 109.69 1jqj h GLY 287 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.35 1jqj h GLY 287 CO -0.00 0.00 -1.30 -2.09 0.00 0.00 0.00 176.54 173.15 1jqj h GLU 288 N 0.00 0.36 0.00 4.80 4.57 0.35 -3.21 114.58 121.45 1jqj h GLU 288 Ca -0.00 -0.61 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 1jqj h GLU 288 Cb 1.04 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1jqj h GLU 288 CO 0.06 1.29 0.00 0.00 -1.18 0.00 0.00 179.01 179.18 1jqj n ALA 289 N -2.80 0.00 -0.37 2.92 0.00 0.11 -0.34 120.51 120.03 1jqj n ALA 289 Ca -0.20 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.58 1jqj n ALA 289 Cb 0.95 0.04 0.59 0.00 0.00 0.00 0.00 19.45 21.03 1jqj n ALA 289 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jqj n LEU 290 N -0.38 0.26 0.00 0.00 4.77 -1.04 0.23 117.00 120.84 1jqj n LEU 290 Ca 0.00 1.43 0.00 0.00 -0.03 0.00 0.00 56.01 57.41 1jqj n LEU 290 Cb 0.00 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1jqj n LEU 290 CO 0.00 -1.58 0.14 -3.20 -1.33 0.00 0.00 177.39 171.42 1jqj n ASN 291 N -4.85 0.00 0.22 -1.43 5.15 -1.11 -3.94 115.26 109.29 1jqj n ASN 291 Ca 0.37 0.28 0.15 0.00 -0.60 0.00 0.00 54.58 54.77 1jqj n ASN 291 Cb 1.34 0.00 0.79 0.00 -0.53 0.00 0.00 39.78 41.38 1jqj n ASN 291 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1jqj h ARG 292 N 0.00 0.00 -5.82 1.20 9.65 -0.23 -3.42 114.38 115.75 1jqj h ARG 292 Ca 0.00 0.00 -0.66 0.00 -1.10 0.00 0.00 59.98 58.22 1jqj h ARG 292 Cb 0.00 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.49 1jqj h ARG 292 CO 0.00 0.00 -0.53 -1.17 2.80 0.00 0.00 179.97 181.07 1jqj s LEU 293 N -8.10 4.11 0.00 3.80 1.98 0.13 -5.08 118.68 115.53 1jqj s LEU 293 Ca -0.05 0.31 0.02 0.00 -2.89 0.00 0.00 54.13 51.52 1jqj s LEU 293 Cb 0.16 -2.16 0.02 0.00 0.66 0.00 0.00 46.19 44.87 1jqj s LEU 293 CO 0.60 0.35 0.18 -1.20 -1.89 0.00 0.00 176.35 174.39 1jqj n SER 294 N 1.65 0.45 0.04 3.68 7.64 -1.26 -4.43 113.62 121.39 1jqj n SER 294 Ca -0.17 -1.33 0.11 0.00 1.01 0.00 0.00 58.87 58.49 1jqj n SER 294 Cb 0.54 -0.10 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 1jqj n SER 294 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jqj n GLN 295 N -1.29 0.57 0.03 1.43 10.64 -1.26 -2.15 117.38 125.34 1jqj n GLN 295 Ca 0.04 -0.04 -0.09 0.00 -1.83 0.00 0.00 57.00 55.08 1jqj n GLN 295 Cb 0.13 -1.66 0.06 0.00 -0.86 0.00 0.00 30.24 27.92 1jqj n GLN 295 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 1jqj h THR 296 N 0.00 1.34 0.01 -0.39 2.02 -2.01 -2.49 112.91 111.40 1jqj h THR 296 Ca 0.00 -1.91 -0.06 0.00 0.77 0.00 0.00 66.41 65.21 1jqj h THR 296 Cb 0.95 1.90 0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1jqj h THR 296 CO 0.00 0.58 -0.24 1.56 0.37 0.00 0.00 175.52 177.79 1jqj h GLN 297 N 0.34 0.15 -0.59 6.66 4.20 -1.98 -3.28 115.11 120.61 1jqj h GLN 297 Ca -0.01 -0.17 0.12 0.00 0.06 0.00 0.00 58.65 58.65 1jqj h GLN 297 Cb 1.15 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 28.87 1jqj h GLN 297 CO 0.11 0.93 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.96 1jqj h LEU 298 N -0.55 -0.63 -0.94 1.46 3.38 -1.38 -1.52 115.31 115.13 1jqj h LEU 298 Ca -0.03 0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1jqj h LEU 298 Cb 1.02 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 1jqj h LEU 298 CO 0.05 -0.21 0.24 0.08 0.09 0.00 0.00 178.44 178.69 1jqj h ARG 299 N -0.03 1.02 -0.23 1.13 0.11 -1.58 -1.12 114.38 113.68 1jqj h ARG 299 Ca 0.28 -0.19 0.03 0.00 0.10 0.00 0.00 59.98 60.20 1jqj h ARG 299 Cb 0.46 -0.16 -0.03 0.00 1.11 0.00 0.00 29.97 31.34 1jqj h ARG 299 CO -0.62 0.85 0.06 1.96 0.10 0.00 0.00 179.97 182.31 1jqj h GLN 300 N 0.99 0.15 -0.80 0.08 1.08 -1.36 0.51 115.11 115.74 1jqj h GLN 300 Ca 0.23 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.46 1jqj h GLN 300 Cb 0.23 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.58 1jqj h GLN 300 CO -0.01 0.10 0.50 0.00 -0.95 0.00 0.00 178.83 178.46 1jqj h ALA 301 N 1.16 1.08 -0.16 3.87 0.00 -0.90 0.41 119.26 124.72 1jqj h ALA 301 Ca 0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1jqj h ALA 301 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jqj h ALA 301 CO -0.13 0.28 -0.50 0.28 0.00 0.00 0.00 179.25 179.18 1jqj h VAL 302 N 0.95 1.33 -0.27 0.00 2.07 -0.56 -1.01 116.25 118.76 1jqj h VAL 302 Ca 0.34 -1.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.08 1jqj h VAL 302 Cb 0.08 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1jqj h VAL 302 CO -0.14 0.53 0.00 -0.61 0.02 0.00 0.00 177.57 177.38 1jqj h GLN 303 N 0.34 0.47 0.17 1.57 4.15 0.92 -1.31 115.11 121.43 1jqj h GLN 303 Ca 0.01 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 1jqj h GLN 303 Cb 1.00 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.65 1jqj h GLN 303 CO 0.09 0.63 -0.08 1.25 -1.93 0.00 0.00 178.83 178.79 1jqj h LEU 304 N 0.26 -0.20 -0.59 -2.39 6.46 -0.06 -2.09 115.31 116.70 1jqj h LEU 304 Ca 0.08 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 57.96 1jqj h LEU 304 Cb 0.41 0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 40.28 1jqj h LEU 304 CO 0.01 -0.14 -0.15 0.25 -0.62 0.00 0.00 178.44 177.79 1jqj h LEU 305 N -0.23 -0.57 -0.69 2.25 6.46 -1.29 0.35 115.31 121.59 1jqj h LEU 305 Ca -0.02 0.18 0.14 0.00 -0.12 0.00 0.00 57.88 58.06 1jqj h LEU 305 Cb 0.18 0.37 -0.13 0.00 -0.73 0.00 0.00 40.66 40.35 1jqj h LEU 305 CO 0.04 -0.20 -0.15 0.74 -0.62 0.00 0.00 178.44 178.25 1jqj h THR 306 N -0.01 0.32 -0.12 1.05 2.02 -1.23 -1.13 112.91 113.81 1jqj h THR 306 Ca 0.28 -0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.40 1jqj h THR 306 Cb 0.44 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1jqj h THR 306 CO -0.61 0.00 -0.16 -0.09 0.37 0.00 0.00 175.52 175.02 1jqj h ARG 307 N 0.01 0.33 -1.00 6.66 2.43 0.05 -3.05 114.38 119.81 1jqj h ARG 307 Ca 0.34 -0.19 0.26 0.00 -0.81 0.00 0.00 59.98 59.57 1jqj h ARG 307 Cb 0.52 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 1jqj h ARG 307 CO -0.70 0.76 0.67 1.15 -1.51 0.00 0.00 179.97 180.34 1jqj h THR 308 N -0.07 0.56 -0.36 0.20 2.02 0.36 1.02 112.91 116.64 1jqj h THR 308 Ca 0.01 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1jqj h THR 308 Cb 0.72 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1jqj h THR 308 CO 0.04 0.06 0.00 -1.84 0.37 0.00 0.00 175.52 174.15 1jqj n GLU 309 N -4.50 2.92 0.00 6.66 0.28 -0.51 -3.17 120.64 122.32 1jqj n GLU 309 Ca 0.23 -1.75 0.00 0.00 -0.16 0.00 0.00 57.16 55.48 1jqj n GLU 309 Cb 0.88 -1.78 0.00 0.00 1.43 0.00 0.00 31.44 31.97 1jqj n GLU 309 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1jqj n LEU 310 N 0.47 0.00 0.08 -1.84 4.77 0.33 -4.65 117.00 116.16 1jqj n LEU 310 Ca 0.16 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 1jqj n LEU 310 Cb 0.68 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.75 1jqj n LEU 310 CO 0.16 0.00 0.14 0.71 -1.33 0.00 0.00 177.39 177.07 1jqj h THR 311 N 0.00 0.00 0.00 -5.08 1.35 -0.86 0.11 112.91 108.43 1jqj h THR 311 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1jqj h THR 311 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1jqj h THR 311 CO 0.00 0.00 0.09 0.00 -0.25 0.00 0.00 175.52 175.36 1jqj n LEU 312 N -4.40 0.00 -0.03 3.87 -0.00 -1.23 0.33 117.00 115.53 1jqj n LEU 312 Ca -0.03 0.17 -0.03 0.00 -0.00 0.00 0.00 56.01 56.11 1jqj n LEU 312 Cb 0.11 -0.17 -0.05 0.00 -0.00 0.00 0.00 43.42 43.31 1jqj n LEU 312 CO 0.08 -0.17 -0.72 0.29 -0.00 0.00 0.00 177.39 176.88 1jqj n LYS 313 N -1.09 2.64 -0.79 1.47 5.02 -1.22 -4.19 118.16 120.02 1jqj n LYS 313 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1jqj n LYS 313 Cb 0.09 -1.16 0.16 0.00 -0.02 0.00 0.00 35.03 34.09 1jqj n LYS 313 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1jqj n GLN 314 N -2.29 1.17 -0.37 1.97 6.02 0.80 -4.51 117.38 120.16 1jqj n GLN 314 Ca -0.11 -2.92 0.00 0.00 -0.01 0.00 0.00 57.00 53.96 1jqj n GLN 314 Cb 0.70 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.76 1jqj n GLN 314 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1jqj n ASP 315 N -0.73 0.00 -2.60 1.08 8.00 0.99 -4.84 116.55 118.45 1jqj n ASP 315 Ca 0.15 -0.92 -0.23 0.00 0.71 0.00 0.00 54.79 54.50 1jqj n ASP 315 Cb 0.80 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.92 1jqj n ASP 315 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jqj n TYR 316 N 0.00 -3.25 0.00 1.24 0.18 -1.04 -3.77 117.16 110.51 1jqj n TYR 316 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1jqj n TYR 316 Cb 0.46 -0.94 0.00 0.00 -0.38 0.00 0.00 39.34 38.48 1jqj n TYR 316 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1jqj n GLY 317 N 2.20 2.49 3.00 -7.48 0.00 -1.26 -5.04 105.19 99.10 1jqj n GLY 317 Ca -0.01 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1jqj n GLY 317 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jqj s GLN 318 N 0.00 0.42 0.00 1.61 -2.07 -1.25 -5.20 119.66 113.17 1jqj s GLN 318 Ca 0.00 -0.47 0.00 0.00 -1.82 0.00 0.00 55.36 53.07 1jqj s GLN 318 Cb 0.00 -0.26 0.00 0.00 -1.09 0.00 0.00 33.01 31.66 1jqj s GLN 318 CO 0.00 0.06 0.00 0.00 -1.32 0.00 0.00 175.29 174.03 1jqj n ALA 322 N 2.14 0.00 0.24 2.60 0.00 -1.26 -4.86 120.51 119.37 1jqj n ALA 322 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1jqj n ALA 322 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1jqj n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jqj n GLU 323 N 0.00 0.24 0.00 0.00 -0.58 -1.26 -1.52 120.64 117.52 1jqj n GLU 323 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1jqj n GLU 323 Cb 0.00 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1jqj n GLU 323 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1jqj n LEU 324 N 0.46 0.00 0.21 -4.62 4.77 -1.26 -4.45 117.00 112.12 1jqj n LEU 324 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1jqj n LEU 324 Cb 0.07 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.40 1jqj n LEU 324 CO 0.00 0.00 0.78 -0.33 -1.33 0.00 0.00 177.39 176.51 1jqj h GLU 325 N 0.00 0.00 0.00 3.23 3.07 -1.70 -1.07 114.58 118.11 1jqj h GLU 325 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jqj h GLU 325 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1jqj h GLU 325 CO 0.00 0.11 0.00 0.41 -1.40 0.00 0.00 179.01 178.13 1jqj n GLY 326 N 0.89 -2.43 0.31 -3.84 0.00 -1.10 -0.48 105.19 98.54 1jqj n GLY 326 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 1jqj n GLY 326 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jqj h LEU 327 N 0.00 -0.83 0.00 0.99 3.38 -1.76 1.17 115.31 118.27 1jqj h LEU 327 Ca 0.00 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1jqj h LEU 327 Cb 0.00 0.52 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jqj h LEU 327 CO 0.00 -0.27 0.00 -1.20 0.09 0.00 0.00 178.44 177.06 1jqj n SER 328 N -5.51 0.00 -0.04 -0.43 7.64 -0.41 0.07 113.62 114.94 1jqj n SER 328 Ca 0.11 0.91 0.14 0.00 1.01 0.00 0.00 58.87 61.04 1jqj n SER 328 Cb 0.40 -0.41 0.57 0.00 -1.01 0.00 0.00 64.21 63.76 1jqj n SER 328 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1jqj h LEU 329 N 0.00 0.24 0.71 -3.43 3.38 -0.15 -2.62 115.31 113.43 1jqj h LEU 329 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1jqj h LEU 329 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1jqj h LEU 329 CO 0.00 0.14 -0.37 0.25 0.09 0.00 0.00 178.44 178.55 1jqj h LEU 330 N 0.26 -0.90 -1.70 1.67 7.12 0.24 -2.25 115.31 119.76 1jqj h LEU 330 Ca 0.25 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.30 1jqj h LEU 330 Cb 0.66 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.03 1jqj h LEU 330 CO -0.05 -0.61 0.26 -0.07 -0.13 0.00 0.00 178.44 177.84 1jqj h LEU 331 N -0.99 0.00 0.00 2.25 -0.00 0.03 -3.39 115.31 113.21 1jqj h LEU 331 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1jqj h LEU 331 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 1jqj h LEU 331 CO 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.58