#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxf n GLY 32 N 0.00 0.66 1.23 -1.23 0.00 -1.26 -3.95 105.19 100.64 3jxf n GLY 32 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3jxf n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jxf n SER 33 N 1.32 2.97 -4.79 1.61 3.41 -1.26 -5.05 113.62 111.83 3jxf n SER 33 Ca 0.00 -3.76 -0.35 0.00 -0.26 0.00 0.00 58.87 54.49 3jxf n SER 33 Cb 0.00 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.45 3jxf n SER 33 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3jxf s GLU 34 N -3.31 4.23 0.64 4.33 -1.05 -1.25 -5.04 118.70 117.25 3jxf s GLU 34 Ca 0.43 1.36 -0.12 0.00 -0.15 0.00 0.00 54.97 56.48 3jxf s GLU 34 Cb 0.39 -2.46 -0.02 0.00 -0.44 0.00 0.00 34.13 31.59 3jxf s GLU 34 CO -0.03 -0.05 1.04 -1.21 0.95 0.00 0.00 175.26 175.96 3jxf s GLU 35 N -2.65 3.30 0.24 -4.83 2.02 -1.26 -5.00 118.70 110.52 3jxf s GLU 35 Ca 0.58 0.94 -0.31 0.00 0.02 0.00 0.00 54.97 56.20 3jxf s GLU 35 Cb -0.17 -2.04 -0.12 0.00 0.10 0.00 0.00 34.13 31.90 3jxf s GLU 35 CO 0.22 -0.81 1.67 0.42 0.02 0.00 0.00 175.26 176.78 3jxf s ILE 36 N -2.94 2.05 0.30 -1.63 1.01 -1.26 -4.93 121.20 113.80 3jxf s ILE 36 Ca 0.58 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 3jxf s ILE 36 Cb -0.13 -3.02 -0.11 0.00 0.01 0.00 0.00 42.46 39.21 3jxf s ILE 36 CO 0.49 0.00 1.50 -0.83 0.00 0.00 0.00 174.94 176.11 3jxf s GLY 37 N 0.93 2.41 0.06 6.18 0.00 -1.26 -5.03 107.32 110.61 3jxf s GLY 37 Ca 0.70 1.47 -0.01 0.00 0.00 0.00 0.00 44.72 46.89 3jxf s GLY 37 CO 0.38 2.36 -0.03 0.66 0.00 0.00 0.00 173.10 176.47 3jxf s TRP 38 N -0.32 0.58 0.15 1.90 1.48 -1.26 -4.86 118.94 116.60 3jxf s TRP 38 Ca 0.59 -1.06 -0.00 0.00 -1.06 0.00 0.00 56.10 54.56 3jxf s TRP 38 Cb -0.45 -0.41 -0.04 0.00 -1.16 0.00 0.00 33.47 31.41 3jxf s TRP 38 CO 0.50 -0.36 0.05 -1.12 -4.06 0.00 0.00 176.95 171.96 3jxf s SER 39 N -2.94 0.49 0.05 -2.66 0.01 -0.62 -4.99 113.70 103.04 3jxf s SER 39 Ca 0.08 -1.22 -0.13 0.00 1.31 0.00 0.00 55.95 55.99 3jxf s SER 39 Cb 0.08 0.26 -0.31 0.00 0.21 0.00 0.00 66.02 66.26 3jxf s SER 39 CO -0.09 -0.71 1.07 1.88 0.41 0.00 0.00 173.24 175.81 3jxf h TYR 40 N 2.80 0.91 0.00 2.43 0.05 -1.88 -2.96 116.97 118.33 3jxf h TYR 40 Ca -0.36 -0.62 0.00 0.00 0.05 0.00 0.00 58.73 57.80 3jxf h TYR 40 Cb 1.21 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.89 3jxf h TYR 40 CO 0.45 1.47 0.00 0.25 -1.05 0.00 0.00 178.16 179.28 3jxf n THR 41 N -3.72 0.00 -0.01 -2.88 -2.24 -1.26 -2.35 114.28 101.81 3jxf n THR 41 Ca -0.14 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3jxf n THR 41 Cb 1.04 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 70.43 3jxf n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxf n GLY 42 N 0.20 0.98 3.76 3.38 0.00 -1.26 -4.78 105.19 107.46 3jxf n GLY 42 Ca 0.00 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 3jxf n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jxf s ALA 43 N -3.91 3.07 -0.80 4.61 0.00 -1.26 -3.01 121.76 120.46 3jxf s ALA 43 Ca 0.00 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 53.25 3jxf s ALA 43 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3jxf s ALA 43 CO 0.00 -1.11 0.62 -0.11 0.00 0.00 0.00 175.76 175.15 3jxf n LEU 44 N -0.44 -2.54 -4.78 0.00 7.94 -1.26 -2.87 117.00 113.05 3jxf n LEU 44 Ca 0.07 -0.81 -0.29 0.00 -1.11 0.00 0.00 56.01 53.87 3jxf n LEU 44 Cb 0.44 -1.84 0.14 0.00 0.53 0.00 0.00 43.42 42.69 3jxf n LEU 44 CO 0.55 0.17 0.71 0.54 -1.11 0.00 0.00 177.39 178.24 3jxf s ASN 45 N -2.91 3.46 0.43 1.96 6.03 -1.16 -1.59 114.94 121.15 3jxf s ASN 45 Ca 0.02 1.00 0.14 0.00 -1.03 0.00 0.00 52.86 52.99 3jxf s ASN 45 Cb -0.00 -1.59 1.02 0.00 -3.03 0.00 0.00 41.25 37.65 3jxf s ASN 45 CO 0.88 -2.59 1.96 0.06 -2.03 0.00 0.00 177.10 175.38 3jxf h GLN 46 N -1.52 0.42 -0.01 3.55 3.07 -1.28 0.78 115.11 120.11 3jxf h GLN 46 Ca -0.51 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.21 3jxf h GLN 46 Cb 1.33 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 28.80 3jxf h GLN 46 CO 0.61 0.27 0.01 0.87 0.09 0.00 0.00 178.83 180.69 3jxf h LYS 47 N 0.43 0.00 -0.06 0.06 1.79 -1.91 -3.04 116.57 113.83 3jxf h LYS 47 Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 3jxf h LYS 47 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3jxf h LYS 47 CO -0.09 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.37 3jxf n ASN 48 N -3.80 2.06 -0.34 0.86 4.13 0.27 -4.60 115.26 113.83 3jxf n ASN 48 Ca -0.03 -1.54 0.19 0.00 1.68 0.00 0.00 54.58 54.89 3jxf n ASN 48 Cb 0.10 -0.04 0.42 0.00 -1.54 0.00 0.00 39.78 38.72 3jxf n ASN 48 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 3jxf h TRP 49 N 2.11 0.96 0.00 3.10 6.55 -1.30 -0.36 115.95 127.01 3jxf h TRP 49 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3jxf h TRP 49 Cb 0.50 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 3jxf h TRP 49 CO 0.04 0.02 0.05 0.78 -1.05 0.00 0.00 178.44 178.27 3jxf h GLY 50 N 0.51 0.00 2.00 1.49 0.00 -1.81 0.16 103.07 105.42 3jxf h GLY 50 Ca 0.66 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.90 3jxf h GLY 50 CO -0.48 0.00 -0.45 0.50 0.00 0.00 0.00 176.54 176.11 3jxf h LYS 51 N 0.00 0.00 0.00 4.80 1.57 -1.41 -3.31 116.57 118.22 3jxf h LYS 51 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3jxf h LYS 51 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3jxf h LYS 51 CO 0.00 0.45 -1.12 1.63 -0.57 0.00 0.00 179.45 179.84 3jxf n LYS 52 N -3.68 0.78 -3.83 3.15 4.76 -0.63 -4.88 118.16 113.83 3jxf n LYS 52 Ca -0.01 -0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.13 3jxf n LYS 52 Cb 0.53 -1.06 -0.13 0.00 -1.84 0.00 0.00 35.03 32.53 3jxf n LYS 52 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3jxf s TYR 53 N -2.15 2.90 0.54 2.13 2.02 0.47 -5.00 117.35 118.26 3jxf s TYR 53 Ca -0.01 -3.01 0.23 0.00 -0.37 0.00 0.00 57.07 53.91 3jxf s TYR 53 Cb 0.01 -2.42 1.42 0.00 -0.40 0.00 0.00 41.96 40.58 3jxf s TYR 53 CO 0.10 -0.68 2.09 -1.35 -1.57 0.00 0.00 175.55 174.14 3jxf h PRO 54 N 6.06 0.00 0.00 -1.71 0.11 -1.81 -1.47 132.00 133.17 3jxf h PRO 54 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3jxf h PRO 54 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3jxf h PRO 54 CO 0.63 0.00 -0.01 1.15 -0.21 0.00 0.00 178.00 179.56 3jxf h THR 55 N 0.00 0.03 0.00 -1.15 2.02 -1.89 -2.25 112.91 109.66 3jxf h THR 55 Ca 0.11 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3jxf h THR 55 Cb 0.48 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3jxf h THR 55 CO -0.00 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.90 3jxf n ASN 57 N -1.90 3.55 -4.75 0.00 3.02 -0.85 -4.86 115.26 109.49 3jxf n ASN 57 Ca 0.01 -1.99 -0.30 0.00 -0.03 0.00 0.00 54.58 52.27 3jxf n ASN 57 Cb 0.11 -0.33 0.12 0.00 -0.61 0.00 0.00 39.78 39.06 3jxf n ASN 57 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3jxf s SER 58 N -1.30 3.96 0.00 6.41 1.04 -0.46 -4.92 113.70 118.42 3jxf s SER 58 Ca 0.42 1.57 0.08 0.00 0.48 0.00 0.00 55.95 58.50 3jxf s SER 58 Cb 0.24 -2.27 0.23 0.00 0.10 0.00 0.00 66.02 64.32 3jxf s SER 58 CO 0.32 -2.34 1.19 -2.65 0.98 0.00 0.00 173.24 170.74 3jxf n PRO 59 N -3.70 1.51 -2.06 4.02 -0.02 -1.26 -3.98 135.00 129.50 3jxf n PRO 59 Ca 0.08 -0.79 -0.27 0.00 -2.02 0.00 0.00 63.50 60.50 3jxf n PRO 59 Cb 0.55 -1.18 0.02 0.00 -0.02 0.00 0.00 33.50 32.87 3jxf n PRO 59 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3jxf n LYS 60 N 0.13 3.42 -3.38 -0.52 5.02 -1.26 -4.71 118.16 116.86 3jxf n LYS 60 Ca 0.08 -4.13 -0.32 0.00 -2.02 0.00 0.00 58.31 51.92 3jxf n LYS 60 Cb 0.19 -2.27 -0.05 0.00 -0.02 0.00 0.00 35.03 32.87 3jxf n LYS 60 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3jxf s GLN 61 N -3.63 3.83 0.24 1.97 -1.52 -1.26 -3.32 119.66 115.96 3jxf s GLN 61 Ca 0.52 0.32 0.09 0.00 -1.95 0.00 0.00 55.36 54.34 3jxf s GLN 61 Cb 0.42 -2.62 -0.04 0.00 -0.22 0.00 0.00 33.01 30.55 3jxf s GLN 61 CO -0.05 0.30 0.02 -1.12 -0.25 0.00 0.00 175.29 174.19 3jxf s SER 62 N -2.35 4.72 0.62 5.90 0.01 -1.26 -4.71 113.70 116.63 3jxf s SER 62 Ca 0.48 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 57.24 3jxf s SER 62 Cb -0.11 -0.96 0.08 0.00 0.21 0.00 0.00 66.02 65.24 3jxf s SER 62 CO 0.21 0.02 0.86 -2.16 0.41 0.00 0.00 173.24 172.58 3jxf s PRO 63 N -3.46 2.13 0.24 12.44 0.04 -1.26 -4.55 135.00 140.58 3jxf s PRO 63 Ca 0.30 -1.10 0.01 0.00 0.04 0.00 0.00 61.00 60.25 3jxf s PRO 63 Cb -0.07 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 3jxf s PRO 63 CO 0.20 -1.04 0.11 0.96 0.04 0.00 0.00 177.00 177.27 3jxf s ILE 64 N -2.89 0.41 0.06 0.56 -4.36 -1.26 -0.60 121.20 113.12 3jxf s ILE 64 Ca 0.62 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.90 3jxf s ILE 64 Cb -0.07 -2.60 -0.06 0.00 1.25 0.00 0.00 42.46 40.98 3jxf s ILE 64 CO 0.41 -0.00 0.40 0.21 0.24 0.00 0.00 174.94 176.19 3jxf s ASN 65 N -3.27 6.67 -0.19 4.36 2.47 -1.26 -3.08 114.94 120.64 3jxf s ASN 65 Ca 0.38 0.82 0.01 0.00 0.42 0.00 0.00 52.86 54.49 3jxf s ASN 65 Cb 0.08 -2.19 0.02 0.00 -1.45 0.00 0.00 41.25 37.71 3jxf s ASN 65 CO 0.13 0.21 -0.18 -0.63 -3.72 0.00 0.00 177.10 172.91 3jxf s ILE 66 N -1.33 2.11 -0.25 -5.21 1.01 -0.31 -4.96 121.20 112.27 3jxf s ILE 66 Ca 0.31 -1.03 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 3jxf s ILE 66 Cb -0.14 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3jxf s ILE 66 CO 0.17 0.46 0.12 -1.81 0.00 0.00 0.00 174.94 173.88 3jxf s ASP 67 N 1.27 5.63 0.23 3.58 -0.00 -1.26 -0.65 116.67 125.47 3jxf s ASP 67 Ca 0.03 -0.06 -0.08 0.00 -0.00 0.00 0.00 52.55 52.44 3jxf s ASP 67 Cb -0.14 -2.02 0.37 0.00 -0.00 0.00 0.00 42.92 41.13 3jxf s ASP 67 CO -0.12 0.01 1.67 -0.08 -0.00 0.00 0.00 175.17 176.65 3jxf h GLU 68 N 7.94 0.17 0.00 8.23 4.57 -1.98 -0.78 114.58 132.73 3jxf h GLU 68 Ca -0.37 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 3jxf h GLU 68 Cb 1.18 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3jxf h GLU 68 CO 0.60 0.11 0.00 -0.40 -1.18 0.00 0.00 179.01 178.14 3jxf n ASP 69 N -5.24 0.36 -0.75 1.04 5.68 -1.26 -1.19 116.55 115.19 3jxf n ASP 69 Ca 0.11 0.65 0.08 0.00 -0.50 0.00 0.00 54.79 55.13 3jxf n ASP 69 Cb 0.40 -0.71 0.14 0.00 -1.14 0.00 0.00 41.12 39.82 3jxf n ASP 69 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3jxf n LEU 70 N -1.97 2.79 -4.93 -2.12 4.77 -0.31 -5.00 117.00 110.24 3jxf n LEU 70 Ca -0.00 -1.52 -0.25 0.00 -0.03 0.00 0.00 56.01 54.21 3jxf n LEU 70 Cb 0.05 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3jxf n LEU 70 CO 0.08 0.62 0.32 0.42 -1.33 0.00 0.00 177.39 177.51 3jxf s THR 71 N -1.13 4.67 -0.28 -5.08 -4.23 -0.33 -4.72 115.64 104.54 3jxf s THR 71 Ca 0.25 -0.19 -0.10 0.00 -1.18 0.00 0.00 61.69 60.47 3jxf s THR 71 Cb 0.15 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.21 3jxf s THR 71 CO 0.20 -0.61 0.15 -1.58 -0.54 0.00 0.00 174.62 172.25 3jxf s GLN 72 N -4.58 3.68 0.01 3.99 0.74 -0.06 -4.94 119.66 118.51 3jxf s GLN 72 Ca 0.46 -0.49 -0.30 0.00 0.05 0.00 0.00 55.36 55.08 3jxf s GLN 72 Cb -0.10 -3.55 -0.05 0.00 1.10 0.00 0.00 33.01 30.41 3jxf s GLN 72 CO 0.40 -0.26 1.22 0.08 -0.55 0.00 0.00 175.29 176.19 3jxf s VAL 73 N 1.68 4.08 -0.18 1.34 1.01 -1.26 -0.57 120.40 126.49 3jxf s VAL 73 Ca 0.06 1.46 -0.01 0.00 0.00 0.00 0.00 61.98 63.49 3jxf s VAL 73 Cb -0.16 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.33 3jxf s VAL 73 CO 0.08 0.06 -0.01 0.21 0.00 0.00 0.00 175.10 175.44 3jxf s ASN 74 N 1.31 2.90 0.16 3.32 3.04 -0.48 -4.90 114.94 120.30 3jxf s ASN 74 Ca 0.58 -0.75 0.27 0.00 0.04 0.00 0.00 52.86 52.99 3jxf s ASN 74 Cb -0.28 -0.77 0.91 0.00 -1.54 0.00 0.00 41.25 39.57 3jxf s ASN 74 CO 0.26 -0.24 1.81 1.33 -3.04 0.00 0.00 177.10 177.22 3jxf n VAL 75 N 4.94 0.47 0.74 -5.21 0.24 -1.26 -3.08 118.33 115.17 3jxf n VAL 75 Ca -0.10 -0.20 0.13 0.00 -2.04 0.00 0.00 64.34 62.12 3jxf n VAL 75 Cb 0.47 -0.59 0.49 0.00 -1.47 0.00 0.00 33.84 32.75 3jxf n VAL 75 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3jxf n ASN 76 N -2.08 0.34 -4.68 -1.34 4.13 -1.26 -4.86 115.26 105.51 3jxf n ASN 76 Ca 0.06 0.54 -0.44 0.00 1.68 0.00 0.00 54.58 56.42 3jxf n ASN 76 Cb 0.40 -0.63 -0.02 0.00 -1.54 0.00 0.00 39.78 37.99 3jxf n ASN 76 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3jxf n LEU 77 N -1.83 3.22 -4.71 3.41 7.99 -1.18 -4.95 117.00 118.94 3jxf n LEU 77 Ca 0.06 1.16 -0.41 0.00 -0.01 0.00 0.00 56.01 56.80 3jxf n LEU 77 Cb 0.33 -1.44 -0.03 0.00 -0.11 0.00 0.00 43.42 42.17 3jxf n LEU 77 CO 0.25 -0.50 0.62 -0.54 -1.51 0.00 0.00 177.39 175.71 3jxf s LYS 78 N -0.83 4.49 0.31 3.23 -0.14 0.10 -4.84 119.74 122.06 3jxf s LYS 78 Ca 0.64 1.25 -0.28 0.00 -1.36 0.00 0.00 55.97 56.22 3jxf s LYS 78 Cb -0.62 -3.48 -0.13 0.00 -1.68 0.00 0.00 37.83 31.92 3jxf s LYS 78 CO 0.53 -0.08 1.13 1.17 -0.76 0.00 0.00 175.35 177.34 3jxf n LYS 79 N 4.12 1.67 -2.16 1.68 4.81 -1.26 0.70 118.16 127.72 3jxf n LYS 79 Ca 0.04 0.59 -0.42 0.00 -0.87 0.00 0.00 58.31 57.65 3jxf n LYS 79 Cb 0.51 -2.04 -0.03 0.00 0.02 0.00 0.00 35.03 33.48 3jxf n LYS 79 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3jxf s LEU 80 N -0.15 4.39 -0.22 3.14 1.02 -1.26 -4.46 118.68 121.13 3jxf s LEU 80 Ca 0.57 2.41 0.02 0.00 0.02 0.00 0.00 54.13 57.16 3jxf s LEU 80 Cb -0.65 -3.60 0.04 0.00 0.02 0.00 0.00 46.19 42.00 3jxf s LEU 80 CO 0.61 -0.61 -0.14 -0.75 0.02 0.00 0.00 176.35 175.47 3jxf s LYS 81 N 0.41 2.51 -0.19 1.70 2.47 -0.05 -5.00 119.74 121.59 3jxf s LYS 81 Ca 0.61 -1.10 -0.07 0.00 -1.56 0.00 0.00 55.97 53.85 3jxf s LYS 81 Cb -0.38 -2.72 -0.04 0.00 -1.46 0.00 0.00 37.83 33.24 3jxf s LYS 81 CO 0.35 -0.41 0.06 -0.06 0.16 0.00 0.00 175.35 175.44 3jxf s PHE 82 N 1.20 3.19 -0.17 4.03 0.08 -1.26 -1.50 117.98 123.56 3jxf s PHE 82 Ca -0.03 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 56.98 3jxf s PHE 82 Cb -0.17 -2.10 0.01 0.00 -0.57 0.00 0.00 43.02 40.19 3jxf s PHE 82 CO -0.08 0.04 -0.19 -1.14 -0.10 0.00 0.00 175.22 173.74 3jxf s GLN 83 N 0.62 3.05 0.00 0.44 0.74 0.69 -4.67 119.66 120.52 3jxf s GLN 83 Ca 0.03 -0.82 0.00 0.00 0.05 0.00 0.00 55.36 54.62 3jxf s GLN 83 Cb -0.13 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.42 3jxf s GLN 83 CO 0.02 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.04 3jxf n GLY 84 N 4.40 1.48 0.25 2.59 0.00 -1.26 -0.79 105.19 111.86 3jxf n GLY 84 Ca -0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.96 3jxf n GLY 84 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3jxf h TRP 85 N 0.00 0.00 -0.01 1.61 4.06 -1.88 -2.88 115.95 116.86 3jxf h TRP 85 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3jxf h TRP 85 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3jxf h TRP 85 CO 0.00 0.07 -0.06 -0.40 -3.56 0.00 0.00 178.44 174.49 3jxf n ASP 86 N -3.16 0.79 -4.93 -3.49 5.75 -1.26 -1.86 116.55 108.38 3jxf n ASP 86 Ca 0.01 -1.04 -0.26 0.00 -0.01 0.00 0.00 54.79 53.50 3jxf n ASP 86 Cb 0.40 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.46 3jxf n ASP 86 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3jxf s LYS 87 N -2.20 3.53 0.36 0.11 -0.14 -1.09 -4.96 119.74 115.35 3jxf s LYS 87 Ca 0.36 -0.24 -0.27 0.00 -1.36 0.00 0.00 55.97 54.46 3jxf s LYS 87 Cb 0.21 -2.70 -0.09 0.00 -1.68 0.00 0.00 37.83 33.57 3jxf s LYS 87 CO 0.40 0.22 1.20 0.99 -0.76 0.00 0.00 175.35 177.41 3jxf s THR 88 N -2.16 3.05 0.59 2.17 2.01 -1.26 -4.44 115.64 115.61 3jxf s THR 88 Ca 0.41 0.98 -0.20 0.00 0.31 0.00 0.00 61.69 63.19 3jxf s THR 88 Cb -0.10 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 3jxf s THR 88 CO 0.33 0.17 1.32 -0.94 -0.69 0.00 0.00 174.62 174.81 3jxf s SER 89 N -0.86 4.96 0.73 3.53 1.04 -0.20 -4.96 113.70 117.94 3jxf s SER 89 Ca 0.52 2.67 -0.11 0.00 0.48 0.00 0.00 55.95 59.52 3jxf s SER 89 Cb -0.34 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.19 3jxf s SER 89 CO 0.44 -1.77 1.07 -0.76 0.98 0.00 0.00 173.24 173.20 3jxf s LEU 90 N -3.94 2.98 0.41 2.42 1.43 -1.26 -4.74 118.68 115.98 3jxf s LEU 90 Ca 0.77 1.59 0.12 0.00 -1.03 0.00 0.00 54.13 55.58 3jxf s LEU 90 Cb -0.38 -4.37 0.85 0.00 0.03 0.00 0.00 46.19 42.32 3jxf s LEU 90 CO 0.43 -1.68 1.92 -0.08 0.23 0.00 0.00 176.35 177.17 3jxf h GLU 91 N -0.88 0.10 -1.33 1.70 4.81 -1.94 -3.03 114.58 114.00 3jxf h GLU 91 Ca -0.45 -0.02 -0.49 0.00 -0.13 0.00 0.00 59.36 58.27 3jxf h GLU 91 Cb 1.23 -0.01 -0.21 0.00 0.63 0.00 0.00 28.75 30.39 3jxf h GLU 91 CO 0.56 0.30 0.63 0.27 -0.73 0.00 0.00 179.01 180.05 3jxf n ASN 92 N -4.25 7.03 -4.55 1.04 6.94 -1.26 -4.72 115.26 115.48 3jxf n ASN 92 Ca -0.02 -3.40 -0.41 0.00 -0.02 0.00 0.00 54.58 50.73 3jxf n ASN 92 Cb 0.29 -1.03 -0.08 0.00 -2.36 0.00 0.00 39.78 36.60 3jxf n ASN 92 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3jxf s THR 93 N -3.45 5.05 0.02 5.53 2.01 -1.15 -4.83 115.64 118.82 3jxf s THR 93 Ca 0.47 0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.78 3jxf s THR 93 Cb 0.37 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 3jxf s THR 93 CO -0.03 -0.19 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.33 3jxf s PHE 94 N 2.31 2.99 0.17 4.92 0.40 -1.25 -0.71 117.98 126.81 3jxf s PHE 94 Ca 0.17 0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.58 3jxf s PHE 94 Cb -0.16 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 3jxf s PHE 94 CO 0.13 0.44 0.06 -1.50 0.70 0.00 0.00 175.22 175.05 3jxf s ILE 95 N -1.11 4.05 -0.23 0.64 2.07 -0.57 -1.61 121.20 124.44 3jxf s ILE 95 Ca 0.20 -1.30 -0.09 0.00 -1.41 0.00 0.00 60.65 58.05 3jxf s ILE 95 Cb -0.11 -3.06 0.09 0.00 0.13 0.00 0.00 42.46 39.51 3jxf s ILE 95 CO 0.11 -0.12 0.51 -2.28 -1.91 0.00 0.00 174.94 171.25 3jxf s HIS 96 N -1.77 -0.94 -0.61 3.50 5.65 -0.02 -1.53 115.29 119.57 3jxf s HIS 96 Ca 0.29 1.77 -0.26 0.00 0.25 0.00 0.00 55.06 57.11 3jxf s HIS 96 Cb -0.09 0.47 0.04 0.00 -1.18 0.00 0.00 32.58 31.81 3jxf s HIS 96 CO 0.21 -0.51 1.11 1.21 -0.65 0.00 0.00 174.74 176.11 3jxf s ASN 97 N 2.31 6.32 0.00 9.88 3.84 -0.70 -0.86 114.94 135.73 3jxf s ASN 97 Ca -0.05 -0.27 0.28 0.00 0.21 0.00 0.00 52.86 53.02 3jxf s ASN 97 Cb -0.10 -2.50 1.02 0.00 -0.55 0.00 0.00 41.25 39.12 3jxf s ASN 97 CO -0.15 -1.48 1.74 0.35 -2.79 0.00 0.00 177.10 174.77 3jxf n THR 98 N 6.38 0.00 0.00 -5.21 -2.24 -0.55 -0.89 114.28 111.77 3jxf n THR 98 Ca 0.04 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3jxf n THR 98 Cb 0.48 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3jxf n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxf n GLY 99 N 1.34 3.19 0.01 3.38 0.00 -1.26 -4.73 105.19 107.12 3jxf n GLY 99 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 3jxf n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jxf n LYS 100 N -2.00 0.49 -3.90 1.61 4.76 -1.26 -4.73 118.16 113.12 3jxf n LYS 100 Ca 0.00 -0.09 -0.02 0.00 -2.87 0.00 0.00 58.31 55.33 3jxf n LYS 100 Cb 0.00 -1.26 0.02 0.00 -1.84 0.00 0.00 35.03 31.95 3jxf n LYS 100 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3jxf s THR 101 N -2.71 0.00 -0.20 -0.18 -1.32 -1.26 -4.90 115.64 105.07 3jxf s THR 101 Ca -0.04 -0.51 -0.06 0.00 -1.21 0.00 0.00 61.69 59.86 3jxf s THR 101 Cb 0.07 -2.91 -0.03 0.00 -1.51 0.00 0.00 72.50 68.11 3jxf s THR 101 CO 0.45 0.00 0.04 0.68 -2.21 0.00 0.00 174.62 173.58 3jxf s VAL 102 N -2.13 4.38 -0.07 5.08 -7.23 -1.26 -1.48 120.40 117.68 3jxf s VAL 102 Ca 0.23 -0.17 0.05 0.00 -1.81 0.00 0.00 61.98 60.28 3jxf s VAL 102 Cb -0.02 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.91 3jxf s VAL 102 CO 0.04 0.42 -0.23 -0.70 -0.31 0.00 0.00 175.10 174.32 3jxf s GLU 103 N 0.88 2.70 -0.18 4.82 2.12 -0.04 -3.50 118.70 125.50 3jxf s GLU 103 Ca 0.03 -0.86 -0.08 0.00 0.36 0.00 0.00 54.97 54.42 3jxf s GLU 103 Cb -0.14 -2.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 3jxf s GLU 103 CO 0.02 0.35 0.07 0.42 -0.54 0.00 0.00 175.26 175.58 3jxf s ILE 104 N -0.08 4.81 -0.44 -3.70 1.01 0.29 -0.84 121.20 122.25 3jxf s ILE 104 Ca -0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 3jxf s ILE 104 Cb -0.14 -3.17 0.05 0.00 0.01 0.00 0.00 42.46 39.21 3jxf s ILE 104 CO 0.04 0.46 0.33 0.20 0.00 0.00 0.00 174.94 175.97 3jxf s ASN 105 N 0.39 6.04 0.43 3.58 0.01 -0.63 -1.55 114.94 123.21 3jxf s ASN 105 Ca 0.03 -1.17 -0.23 0.00 -0.71 0.00 0.00 52.86 50.79 3jxf s ASN 105 Cb -0.12 -2.14 -0.08 0.00 0.41 0.00 0.00 41.25 39.31 3jxf s ASN 105 CO 0.00 -0.54 1.08 -0.76 -1.51 0.00 0.00 177.10 175.37 3jxf s LEU 106 N 1.62 4.05 -0.07 0.60 1.43 0.12 -3.91 118.68 122.53 3jxf s LEU 106 Ca 0.04 2.11 0.02 0.00 -1.03 0.00 0.00 54.13 55.27 3jxf s LEU 106 Cb -0.22 -4.26 -0.06 0.00 0.03 0.00 0.00 46.19 41.68 3jxf s LEU 106 CO 0.07 -0.67 -0.04 0.41 0.23 0.00 0.00 176.35 176.35 3jxf n THR 107 N -0.34 0.44 -0.63 5.49 -1.04 -1.26 -4.89 114.28 112.06 3jxf n THR 107 Ca 0.06 -0.20 -0.31 0.00 -2.04 0.00 0.00 64.05 61.57 3jxf n THR 107 Cb 0.50 -0.80 0.19 0.00 -1.82 0.00 0.00 70.33 68.40 3jxf n THR 107 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3jxf n ASN 108 N -2.59 -0.82 -4.17 8.00 4.13 -1.26 -4.86 115.26 113.69 3jxf n ASN 108 Ca -0.13 0.19 -0.43 0.00 1.68 0.00 0.00 54.58 55.89 3jxf n ASN 108 Cb 0.66 -1.34 0.00 0.00 -1.54 0.00 0.00 39.78 37.57 3jxf n ASN 108 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3jxf n ASP 109 N -3.90 4.70 -4.65 6.41 2.03 -1.26 -4.96 116.55 114.93 3jxf n ASP 109 Ca 0.08 -2.94 -0.42 0.00 0.52 0.00 0.00 54.79 52.03 3jxf n ASP 109 Cb 0.54 -1.64 -0.04 0.00 -0.72 0.00 0.00 41.12 39.26 3jxf n ASP 109 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3jxf s TYR 110 N 2.67 3.32 0.10 -0.67 2.02 -1.26 -4.59 117.35 118.94 3jxf s TYR 110 Ca 0.47 1.12 0.10 0.00 -0.37 0.00 0.00 57.07 58.39 3jxf s TYR 110 Cb 0.07 -3.03 -0.04 0.00 -0.40 0.00 0.00 41.96 38.57 3jxf s TYR 110 CO -0.00 -0.37 -0.25 1.03 -1.57 0.00 0.00 175.55 174.39 3jxf s ARG 111 N 2.72 1.44 -0.06 -0.62 0.52 0.03 -1.32 118.95 121.67 3jxf s ARG 111 Ca 0.35 -1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 54.25 3jxf s ARG 111 Cb -0.15 -1.80 0.02 0.00 0.52 0.00 0.00 34.95 33.54 3jxf s ARG 111 CO 0.08 0.44 0.20 0.54 0.02 0.00 0.00 175.30 176.58 3jxf s VAL 112 N -0.99 0.02 0.22 3.52 0.11 -0.21 -0.22 120.40 122.84 3jxf s VAL 112 Ca 0.12 -0.16 -0.06 0.00 -2.93 0.00 0.00 61.98 58.94 3jxf s VAL 112 Cb -0.10 -0.34 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 3jxf s VAL 112 CO 0.04 -0.09 0.28 -0.94 -3.33 0.00 0.00 175.10 171.07 3jxf s SER 113 N -0.26 0.05 0.00 3.54 1.04 -0.56 -0.57 113.70 116.94 3jxf s SER 113 Ca -0.04 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.23 3jxf s SER 113 Cb -0.03 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3jxf s SER 113 CO 0.01 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.87 3jxf n GLY 114 N -0.31 0.89 6.24 7.32 0.00 -0.93 -0.87 105.19 117.53 3jxf n GLY 114 Ca -0.00 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.76 3jxf n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jxf n GLY 115 N -1.16 1.87 0.03 -0.02 0.00 0.22 -3.90 105.19 102.23 3jxf n GLY 115 Ca 0.00 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.70 3jxf n GLY 115 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3jxf n VAL 116 N 0.00 0.00 -3.94 1.61 0.24 -1.26 0.00 118.33 114.98 3jxf n VAL 116 Ca 0.00 -0.02 0.02 0.00 -2.04 0.00 0.00 64.34 62.30 3jxf n VAL 116 Cb 0.00 -0.40 0.01 0.00 -1.47 0.00 0.00 33.84 31.99 3jxf n VAL 116 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3jxf s SER 117 N -1.91 -0.00 0.00 -1.34 1.04 -1.25 -4.99 113.70 105.25 3jxf s SER 117 Ca 0.43 -0.26 0.22 0.00 0.48 0.00 0.00 55.95 56.83 3jxf s SER 117 Cb 0.20 0.19 0.21 0.00 0.10 0.00 0.00 66.02 66.72 3jxf s SER 117 CO 0.33 -0.38 1.23 -0.62 0.98 0.00 0.00 173.24 174.78 3jxf n GLU 118 N -0.84 2.16 -1.62 4.02 1.02 -1.26 -2.18 120.64 121.94 3jxf n GLU 118 Ca 0.02 -1.89 -0.46 0.00 -0.02 0.00 0.00 57.16 54.80 3jxf n GLU 118 Cb 0.59 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.54 3jxf n GLU 118 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3jxf n MET 119 N 1.28 1.54 -3.57 3.49 1.56 -1.26 -4.68 117.12 115.47 3jxf n MET 119 Ca 0.14 0.55 -0.36 0.00 -0.27 0.00 0.00 57.70 57.75 3jxf n MET 119 Cb 0.56 -2.08 -0.07 0.00 2.15 0.00 0.00 33.22 33.78 3jxf n MET 119 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 3jxf s VAL 120 N -0.32 5.32 0.12 1.12 1.01 -1.26 -4.33 120.40 122.07 3jxf s VAL 120 Ca 0.68 0.47 0.08 0.00 0.00 0.00 0.00 61.98 63.21 3jxf s VAL 120 Cb -0.75 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3jxf s VAL 120 CO 0.53 0.39 -0.12 -0.36 0.00 0.00 0.00 175.10 175.55 3jxf s PHE 121 N 0.50 2.67 -0.21 5.22 0.40 0.27 -4.69 117.98 122.15 3jxf s PHE 121 Ca 0.15 -0.19 -0.09 0.00 -0.60 0.00 0.00 56.93 56.19 3jxf s PHE 121 Cb -0.13 -1.38 -0.05 0.00 0.51 0.00 0.00 43.02 41.98 3jxf s PHE 121 CO 0.03 0.44 0.12 0.21 0.70 0.00 0.00 175.22 176.71 3jxf s LYS 122 N -2.33 4.04 -0.20 0.44 2.20 0.36 -1.04 119.74 123.21 3jxf s LYS 122 Ca 0.21 -0.29 -0.18 0.00 -0.36 0.00 0.00 55.97 55.35 3jxf s LYS 122 Cb -0.10 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 3jxf s LYS 122 CO 0.13 0.17 0.50 0.00 -0.36 0.00 0.00 175.35 175.80 3jxf s ALA 123 N 0.71 3.54 0.00 3.13 0.00 -0.43 -1.34 121.76 127.38 3jxf s ALA 123 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3jxf s ALA 123 Cb -0.13 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.20 3jxf s ALA 123 CO 0.02 -0.43 0.00 -1.13 0.00 0.00 0.00 175.76 174.22 3jxf n SER 124 N 4.76 1.77 -4.03 0.00 3.41 -0.28 -4.56 113.62 114.69 3jxf n SER 124 Ca -0.05 -0.09 -0.14 0.00 -0.26 0.00 0.00 58.87 58.32 3jxf n SER 124 Cb 0.50 0.54 -0.13 0.00 -0.26 0.00 0.00 64.21 64.87 3jxf n SER 124 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3jxf s LYS 125 N -0.89 0.50 -0.06 4.33 1.02 -1.14 -0.70 119.74 122.80 3jxf s LYS 125 Ca 0.00 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.46 3jxf s LYS 125 Cb 0.00 -0.36 0.01 0.00 -0.52 0.00 0.00 37.83 36.96 3jxf s LYS 125 CO 0.00 0.08 -0.11 0.42 -0.92 0.00 0.00 175.35 174.82 3jxf s ILE 126 N -0.91 1.05 0.30 2.17 1.01 -0.60 -0.32 121.20 123.90 3jxf s ILE 126 Ca -0.05 -0.44 0.05 0.00 0.00 0.00 0.00 60.65 60.21 3jxf s ILE 126 Cb -0.07 -0.97 -0.06 0.00 0.01 0.00 0.00 42.46 41.37 3jxf s ILE 126 CO 0.00 0.33 -0.01 0.42 0.00 0.00 0.00 174.94 175.69 3jxf s THR 127 N 0.63 1.47 0.04 2.92 -4.23 -0.40 -0.55 115.64 115.53 3jxf s THR 127 Ca -0.13 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.35 3jxf s THR 127 Cb -0.15 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 3jxf s THR 127 CO 0.03 -0.19 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.46 3jxf s PHE 128 N -3.12 0.89 -0.04 3.99 0.40 -1.23 -1.36 117.98 117.51 3jxf s PHE 128 Ca 0.32 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 3jxf s PHE 128 Cb 0.06 -0.52 0.02 0.00 0.51 0.00 0.00 43.02 43.09 3jxf s PHE 128 CO 0.13 -0.02 -0.04 -1.01 0.70 0.00 0.00 175.22 174.98 3jxf s HIS 129 N -1.13 0.67 0.25 0.36 3.76 -0.47 -4.52 115.29 114.21 3jxf s HIS 129 Ca -0.05 -0.17 -0.01 0.00 -0.15 0.00 0.00 55.06 54.69 3jxf s HIS 129 Cb -0.09 -0.60 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 3jxf s HIS 129 CO 0.01 -0.17 0.24 1.67 -0.85 0.00 0.00 174.74 175.64 3jxf s TRP 130 N 0.86 1.20 0.00 1.40 -2.14 -1.18 -1.27 118.94 117.81 3jxf s TRP 130 Ca -0.11 -1.36 0.00 0.00 2.66 0.00 0.00 56.10 57.29 3jxf s TRP 130 Cb -0.14 -0.46 0.00 0.00 -3.10 0.00 0.00 33.47 29.77 3jxf s TRP 130 CO 0.00 -0.79 0.00 0.41 -2.66 0.00 0.00 176.95 173.91 3jxf n GLY 131 N -0.40 0.73 0.86 3.67 0.00 -1.23 -2.11 105.19 106.72 3jxf n GLY 131 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3jxf n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jxf n LYS 132 N 0.00 2.11 -2.65 1.61 4.76 -1.26 -1.82 118.16 120.92 3jxf n LYS 132 Ca 0.00 -1.96 -0.20 0.00 -2.87 0.00 0.00 58.31 53.29 3jxf n LYS 132 Cb 0.00 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 3jxf n LYS 132 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3jxf n ASN 134 N -2.13 0.68 0.11 0.00 0.23 -1.26 -4.57 115.26 108.32 3jxf n ASN 134 Ca -0.17 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.00 3jxf n ASN 134 Cb 0.64 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.63 3jxf n ASN 134 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 3jxf h MET 135 N 0.00 0.00 -6.85 -3.83 2.86 -1.99 -3.45 114.93 101.67 3jxf h MET 135 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 3jxf h MET 135 Cb 0.00 0.00 0.12 0.00 0.06 0.00 0.00 31.60 31.78 3jxf h MET 135 CO 0.00 0.00 0.57 -1.13 1.06 0.00 0.00 176.91 177.41 3jxf n SER 136 N -2.35 2.92 -1.71 1.22 3.41 -1.26 -4.86 113.62 110.99 3jxf n SER 136 Ca 0.04 1.15 -0.12 0.00 -0.26 0.00 0.00 58.87 59.69 3jxf n SER 136 Cb 0.45 -1.53 0.04 0.00 -0.26 0.00 0.00 64.21 62.91 3jxf n SER 136 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jxf n SER 137 N 0.33 5.45 -4.34 4.04 3.41 -1.26 -4.67 113.62 116.58 3jxf n SER 137 Ca 0.05 -2.83 -0.27 0.00 -0.26 0.00 0.00 58.87 55.56 3jxf n SER 137 Cb 0.39 -0.96 -0.13 0.00 -0.26 0.00 0.00 64.21 63.25 3jxf n SER 137 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jxf s ASP 138 N 0.47 2.96 0.00 4.04 -1.08 -1.26 -2.06 116.67 119.74 3jxf s ASP 138 Ca 0.23 -0.72 0.00 0.00 -0.52 0.00 0.00 52.55 51.54 3jxf s ASP 138 Cb 0.19 -0.18 0.00 0.00 -1.46 0.00 0.00 42.92 41.46 3jxf s ASP 138 CO 0.01 0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.43 3jxf n GLY 139 N 0.99 1.14 3.81 2.66 0.00 -0.80 -3.49 105.19 109.51 3jxf n GLY 139 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 3jxf n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jxf s SER 140 N 0.00 5.12 -0.19 1.61 1.04 0.72 -3.09 113.70 118.91 3jxf s SER 140 Ca 0.00 1.56 -0.21 0.00 0.48 0.00 0.00 55.95 57.78 3jxf s SER 140 Cb 0.00 -2.39 -0.18 0.00 0.10 0.00 0.00 66.02 63.55 3jxf s SER 140 CO 0.00 -1.60 0.22 -0.33 0.98 0.00 0.00 173.24 172.51 3jxf h GLU 141 N -0.83 0.00 -7.20 4.02 5.08 -1.89 -3.45 114.58 110.31 3jxf h GLU 141 Ca -0.45 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.44 3jxf h GLU 141 Cb 1.22 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.50 3jxf h GLU 141 CO 0.57 0.88 0.38 -1.01 -1.00 0.00 0.00 179.01 178.83 3jxf s HIS 142 N -2.32 3.37 0.11 4.33 3.76 -1.26 -4.58 115.29 118.69 3jxf s HIS 142 Ca -0.26 1.47 0.03 0.00 -0.15 0.00 0.00 55.06 56.16 3jxf s HIS 142 Cb 0.05 -2.83 -0.04 0.00 1.11 0.00 0.00 32.58 30.86 3jxf s HIS 142 CO 0.55 -0.51 -0.09 -1.54 -0.85 0.00 0.00 174.74 172.30 3jxf s SER 143 N -3.03 1.47 -0.10 1.40 1.04 -1.18 -4.57 113.70 108.74 3jxf s SER 143 Ca 0.60 -0.91 0.03 0.00 0.48 0.00 0.00 55.95 56.14 3jxf s SER 143 Cb -0.11 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.04 3jxf s SER 143 CO 0.32 -0.33 -0.19 -0.76 0.98 0.00 0.00 173.24 173.27 3jxf s LEU 144 N -2.78 1.91 -1.45 2.42 1.43 -0.79 -1.16 118.68 118.26 3jxf s LEU 144 Ca 0.10 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 3jxf s LEU 144 Cb 0.00 -1.21 0.03 0.00 0.03 0.00 0.00 46.19 45.05 3jxf s LEU 144 CO -0.01 0.08 0.61 -0.62 0.23 0.00 0.00 176.35 176.65 3jxf n GLU 145 N 3.85 -4.55 -0.87 1.70 -0.58 0.18 -0.61 120.64 119.76 3jxf n GLU 145 Ca -0.20 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 3jxf n GLU 145 Cb 0.52 -5.56 0.00 0.00 -0.57 0.00 0.00 31.44 25.84 3jxf n GLU 145 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3jxf n GLY 146 N -1.43 0.67 3.63 0.62 0.00 -1.26 -4.98 105.19 102.44 3jxf n GLY 146 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3jxf n GLY 146 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jxf s GLN 147 N -0.33 4.09 0.60 1.61 -1.52 0.22 -5.07 119.66 119.26 3jxf s GLN 147 Ca 0.00 0.20 -0.04 0.00 -1.95 0.00 0.00 55.36 53.57 3jxf s GLN 147 Cb 0.00 -3.61 0.03 0.00 -0.22 0.00 0.00 33.01 29.21 3jxf s GLN 147 CO 0.00 -0.22 0.88 0.15 -0.25 0.00 0.00 175.29 175.85 3jxf s LYS 148 N 1.88 2.63 0.23 2.91 1.02 -1.26 -1.88 119.74 125.26 3jxf s LYS 148 Ca 0.19 -0.32 0.09 0.00 0.02 0.00 0.00 55.97 55.94 3jxf s LYS 148 Cb -0.15 -2.33 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 3jxf s LYS 148 CO 0.09 -0.81 -0.15 -0.06 -0.92 0.00 0.00 175.35 173.50 3jxf s PHE 149 N -2.96 1.85 -0.03 3.18 0.40 -0.88 -4.56 117.98 114.99 3jxf s PHE 149 Ca 0.56 -0.53 0.31 0.00 -0.60 0.00 0.00 56.93 56.68 3jxf s PHE 149 Cb -0.10 -0.85 1.21 0.00 0.51 0.00 0.00 43.02 43.79 3jxf s PHE 149 CO 0.42 0.44 1.92 -1.35 0.70 0.00 0.00 175.22 177.35 3jxf h PRO 150 N 2.48 0.00 -2.77 0.24 0.11 -1.69 0.22 132.00 130.60 3jxf h PRO 150 Ca -0.39 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.62 3jxf h PRO 150 Cb 1.23 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.13 3jxf h PRO 150 CO 0.62 0.00 -0.18 -1.17 -0.21 0.00 0.00 178.00 177.06 3jxf s LEU 151 N -5.99 0.46 -0.02 2.35 2.96 -1.26 -3.68 118.68 113.50 3jxf s LEU 151 Ca 0.02 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 3jxf s LEU 151 Cb 0.09 1.54 0.01 0.00 0.50 0.00 0.00 46.19 48.32 3jxf s LEU 151 CO 0.54 -0.39 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.45 3jxf s GLU 152 N -0.87 0.43 -0.08 1.98 2.12 -0.40 -2.05 118.70 119.83 3jxf s GLU 152 Ca -0.09 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.15 3jxf s GLU 152 Cb -0.04 -0.47 -0.03 0.00 0.26 0.00 0.00 34.13 33.85 3jxf s GLU 152 CO 0.04 0.01 -0.10 1.41 -0.54 0.00 0.00 175.26 176.09 3jxf s MET 153 N 0.34 2.88 -0.07 4.30 -2.45 0.32 -1.36 119.30 123.24 3jxf s MET 153 Ca -0.04 -0.61 0.02 0.00 -1.25 0.00 0.00 55.69 53.82 3jxf s MET 153 Cb -0.07 -2.57 0.01 0.00 1.25 0.00 0.00 34.83 33.45 3jxf s MET 153 CO -0.00 0.54 -0.14 -0.65 1.05 0.00 0.00 175.02 175.81 3jxf s GLN 154 N -0.48 1.93 -0.18 4.11 -0.21 -0.47 -0.36 119.66 124.01 3jxf s GLN 154 Ca 0.07 -0.49 -0.04 0.00 0.02 0.00 0.00 55.36 54.92 3jxf s GLN 154 Cb -0.12 -1.57 -0.02 0.00 1.00 0.00 0.00 33.01 32.30 3jxf s GLN 154 CO 0.02 0.04 -0.04 0.42 -2.12 0.00 0.00 175.29 173.61 3jxf s ILE 155 N 0.64 3.67 -0.11 1.08 1.01 -0.11 -1.27 121.20 126.11 3jxf s ILE 155 Ca -0.15 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 3jxf s ILE 155 Cb -0.16 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 3jxf s ILE 155 CO 0.04 0.46 -0.03 -0.31 0.00 0.00 0.00 174.94 175.10 3jxf s TYR 156 N 0.77 3.04 0.09 3.97 1.51 0.56 -0.50 117.35 126.78 3jxf s TYR 156 Ca -0.02 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 3jxf s TYR 156 Cb -0.15 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 3jxf s TYR 156 CO 0.02 0.22 -0.07 0.00 -1.11 0.00 0.00 175.55 174.61 3jxf s PHE 158 N -3.14 0.79 -0.57 0.00 -0.12 -0.45 -1.51 117.98 112.98 3jxf s PHE 158 Ca 0.08 -1.07 -0.25 0.00 -0.05 0.00 0.00 56.93 55.63 3jxf s PHE 158 Cb 0.02 -0.18 0.04 0.00 -0.63 0.00 0.00 43.02 42.27 3jxf s PHE 158 CO -0.03 -0.84 1.02 0.34 -0.05 0.00 0.00 175.22 175.66 3jxf s ASP 159 N -3.10 6.36 0.00 1.98 -1.08 -1.25 -0.48 116.67 119.09 3jxf s ASP 159 Ca 0.31 -0.25 0.20 0.00 -0.52 0.00 0.00 52.55 52.29 3jxf s ASP 159 Cb 0.03 -2.47 0.97 0.00 -1.46 0.00 0.00 42.92 39.99 3jxf s ASP 159 CO 0.11 -1.32 1.62 0.00 0.52 0.00 0.00 175.17 176.11 3jxf n ALA 160 N 7.78 2.02 0.08 3.66 0.00 -1.26 -2.06 120.51 130.73 3jxf n ALA 160 Ca 0.03 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.50 3jxf n ALA 160 Cb 0.48 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 3jxf n ALA 160 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3jxf n ASP 161 N -1.33 0.68 -0.07 0.00 8.00 -1.26 -4.18 116.55 118.39 3jxf n ASP 161 Ca 0.08 0.26 -0.04 0.00 0.71 0.00 0.00 54.79 55.81 3jxf n ASP 161 Cb 0.17 0.76 -0.16 0.00 -0.02 0.00 0.00 41.12 41.86 3jxf n ASP 161 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3jxf n ARG 162 N -2.60 0.68 -4.14 -1.24 5.12 -0.91 -5.01 116.66 108.56 3jxf n ARG 162 Ca -0.01 -0.06 -0.12 0.00 -1.93 0.00 0.00 57.85 55.73 3jxf n ARG 162 Cb 0.56 -1.52 -0.11 0.00 -1.16 0.00 0.00 32.46 30.23 3jxf n ARG 162 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3jxf s PHE 163 N -2.79 0.88 -0.63 -1.55 0.08 -0.87 -5.05 117.98 108.05 3jxf s PHE 163 Ca -0.09 -0.74 0.24 0.00 0.12 0.00 0.00 56.93 56.46 3jxf s PHE 163 Cb 0.08 -0.50 0.25 0.00 -0.57 0.00 0.00 43.02 42.28 3jxf s PHE 163 CO 0.85 -0.09 1.22 -1.13 -0.10 0.00 0.00 175.22 175.98 3jxf n SER 164 N 0.51 0.67 -3.53 1.36 3.41 -1.26 -4.39 113.62 110.39 3jxf n SER 164 Ca -0.16 0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.36 3jxf n SER 164 Cb 0.58 0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 64.88 3jxf n SER 164 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3jxf s SER 165 N -4.12 -0.46 0.19 4.04 1.04 -1.26 -5.03 113.70 108.10 3jxf s SER 165 Ca 0.05 -0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 3jxf s SER 165 Cb 0.14 0.57 0.11 0.00 0.10 0.00 0.00 66.02 66.94 3jxf s SER 165 CO 0.75 -0.96 1.84 0.15 0.98 0.00 0.00 173.24 176.00 3jxf h PHE 166 N 2.00 0.71 -0.63 5.02 3.57 -1.96 -0.80 116.94 124.85 3jxf h PHE 166 Ca -0.29 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.28 3jxf h PHE 166 Cb 1.28 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.74 3jxf h PHE 166 CO 0.28 0.43 0.36 0.93 -2.23 0.00 0.00 178.31 178.08 3jxf h GLU 167 N 0.76 0.66 -0.45 1.11 3.07 -1.99 0.32 114.58 118.06 3jxf h GLU 167 Ca 0.23 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.99 3jxf h GLU 167 Cb -0.04 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.70 3jxf h GLU 167 CO -0.07 0.44 0.08 0.93 -1.40 0.00 0.00 179.01 178.99 3jxf h GLU 168 N 0.68 0.75 -0.60 2.33 4.39 -1.86 -1.78 114.58 118.48 3jxf h GLU 168 Ca 0.27 -0.20 0.08 0.00 0.34 0.00 0.00 59.36 59.86 3jxf h GLU 168 Cb 0.13 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 3jxf h GLU 168 CO -0.15 0.76 0.26 0.00 -1.16 0.00 0.00 179.01 178.72 3jxf h ALA 169 N 0.96 0.78 -0.71 3.43 0.00 -0.41 -0.24 119.26 123.07 3jxf h ALA 169 Ca 0.14 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3jxf h ALA 169 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3jxf h ALA 169 CO 0.01 -0.14 0.20 0.28 0.00 0.00 0.00 179.25 179.60 3jxf h VAL 170 N 0.47 1.26 -0.71 0.00 2.07 -0.75 0.30 116.25 118.89 3jxf h VAL 170 Ca 0.29 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 3jxf h VAL 170 Cb 0.31 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3jxf h VAL 170 CO -0.26 0.36 0.24 0.50 0.02 0.00 0.00 177.57 178.43 3jxf h LYS 171 N 1.06 1.09 -0.39 1.57 3.64 -0.76 -2.97 116.57 119.82 3jxf h LYS 171 Ca 0.23 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3jxf h LYS 171 Cb 0.33 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3jxf h LYS 171 CO -0.00 0.93 0.00 0.41 -2.27 0.00 0.00 179.45 178.51 3jxf n GLY 172 N -0.78 0.83 3.72 5.01 0.00 -0.15 -4.93 105.19 108.89 3jxf n GLY 172 Ca 0.05 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 3jxf n GLY 172 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jxf n LYS 173 N 0.65 -5.51 -1.69 1.61 4.01 -0.79 -4.98 118.16 111.46 3jxf n LYS 173 Ca 0.13 0.66 -0.29 0.00 -0.51 0.00 0.00 58.31 58.30 3jxf n LYS 173 Cb 0.34 -5.39 0.11 0.00 -0.51 0.00 0.00 35.03 29.58 3jxf n LYS 173 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3jxf s GLY 174 N -4.02 1.59 0.08 0.72 0.00 0.03 -4.98 107.32 100.73 3jxf s GLY 174 Ca 0.21 -0.54 -0.31 0.00 0.00 0.00 0.00 44.72 44.09 3jxf s GLY 174 CO 0.80 -0.03 1.41 0.54 0.00 0.00 0.00 173.10 175.83 3jxf s LYS 175 N -5.39 4.30 0.16 2.90 1.02 -1.26 -4.81 119.74 116.67 3jxf s LYS 175 Ca 0.63 2.06 0.11 0.00 0.02 0.00 0.00 55.97 58.79 3jxf s LYS 175 Cb -0.13 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3jxf s LYS 175 CO 0.52 -0.50 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.69 3jxf s LEU 176 N 1.60 2.41 -0.02 3.17 1.43 -0.47 -3.97 118.68 122.84 3jxf s LEU 176 Ca 0.65 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3jxf s LEU 176 Cb -0.35 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 3jxf s LEU 176 CO 0.29 0.15 -0.13 -0.60 0.23 0.00 0.00 176.35 176.29 3jxf s ARG 177 N -2.38 1.19 0.02 1.70 3.52 -0.57 -1.57 118.95 120.86 3jxf s ARG 177 Ca 0.18 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.34 3jxf s ARG 177 Cb -0.09 -1.11 -0.01 0.00 -1.56 0.00 0.00 34.95 32.18 3jxf s ARG 177 CO 0.08 0.23 -0.08 0.00 -0.81 0.00 0.00 175.30 174.73 3jxf s ALA 178 N -0.11 0.61 -0.11 6.12 0.00 -0.89 0.15 121.76 127.53 3jxf s ALA 178 Ca 0.01 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3jxf s ALA 178 Cb -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3jxf s ALA 178 CO 0.00 0.08 -0.16 -0.51 0.00 0.00 0.00 175.76 175.17 3jxf s LEU 179 N -0.84 2.56 -0.21 0.00 1.02 0.34 -1.04 118.68 120.52 3jxf s LEU 179 Ca -0.03 -0.37 -0.05 0.00 0.02 0.00 0.00 54.13 53.70 3jxf s LEU 179 Cb -0.06 -1.56 -0.02 0.00 0.02 0.00 0.00 46.19 44.57 3jxf s LEU 179 CO 0.00 0.18 0.01 -0.55 0.02 0.00 0.00 176.35 176.01 3jxf s SER 180 N 0.25 4.87 -0.13 2.29 0.15 0.31 -0.94 113.70 120.51 3jxf s SER 180 Ca -0.11 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.36 3jxf s SER 180 Cb -0.16 -1.84 -0.00 0.00 -1.71 0.00 0.00 66.02 62.31 3jxf s SER 180 CO 0.06 0.05 -0.19 -0.63 1.20 0.00 0.00 173.24 173.72 3jxf s ILE 181 N 1.10 2.42 0.02 6.45 1.09 0.51 -2.57 121.20 130.22 3jxf s ILE 181 Ca 0.03 -0.88 0.03 0.00 -1.10 0.00 0.00 60.65 58.73 3jxf s ILE 181 Cb -0.14 -1.98 -0.04 0.00 -1.06 0.00 0.00 42.46 39.24 3jxf s ILE 181 CO 0.02 0.54 -0.03 -0.76 -0.10 0.00 0.00 174.94 174.61 3jxf s LEU 182 N 0.52 3.35 0.07 2.97 1.43 -1.26 -0.53 118.68 125.23 3jxf s LEU 182 Ca -0.12 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 3jxf s LEU 182 Cb -0.17 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3jxf s LEU 182 CO 0.04 0.26 -0.17 -0.36 0.23 0.00 0.00 176.35 176.36 3jxf s PHE 183 N -1.09 2.58 0.13 0.29 0.40 -0.87 -0.74 117.98 118.68 3jxf s PHE 183 Ca 0.20 -0.24 0.10 0.00 -0.60 0.00 0.00 56.93 56.38 3jxf s PHE 183 Cb -0.11 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 3jxf s PHE 183 CO 0.11 0.32 -0.23 -1.21 0.70 0.00 0.00 175.22 174.90 3jxf s GLU 184 N -1.74 1.28 -0.27 0.44 2.02 -0.01 -3.90 118.70 116.53 3jxf s GLU 184 Ca 0.16 -1.29 -0.27 0.00 0.02 0.00 0.00 54.97 53.59 3jxf s GLU 184 Cb -0.11 -1.62 0.01 0.00 0.10 0.00 0.00 34.13 32.51 3jxf s GLU 184 CO 0.08 0.37 0.98 0.08 0.02 0.00 0.00 175.26 176.79 3jxf s VAL 185 N -1.26 4.67 0.04 2.63 1.01 -1.26 -1.55 120.40 124.68 3jxf s VAL 185 Ca 0.12 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.83 3jxf s VAL 185 Cb -0.09 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 32.01 3jxf s VAL 185 CO 0.06 -0.27 0.05 0.61 0.00 0.00 0.00 175.10 175.55 3jxf n GLY 186 N 3.70 1.38 0.13 4.51 0.00 0.24 -4.87 105.19 110.27 3jxf n GLY 186 Ca 0.10 -2.05 -0.22 0.00 0.00 0.00 0.00 46.02 43.85 3jxf n GLY 186 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3jxf h THR 187 N -0.18 0.93 -2.06 2.61 2.02 -1.96 -3.37 112.91 110.89 3jxf h THR 187 Ca -0.02 -2.39 -0.49 0.00 0.77 0.00 0.00 66.41 64.28 3jxf h THR 187 Cb 0.07 2.66 -0.03 0.00 -1.74 0.00 0.00 68.15 69.11 3jxf h THR 187 CO 0.02 0.74 -0.47 -1.83 0.37 0.00 0.00 175.52 174.36 3jxf s GLU 188 N -2.50 3.00 0.23 6.66 -1.05 -1.26 -4.83 118.70 118.95 3jxf s GLU 188 Ca -0.20 -1.05 -0.30 0.00 -0.15 0.00 0.00 54.97 53.27 3jxf s GLU 188 Cb 0.05 -2.64 -0.10 0.00 -0.44 0.00 0.00 34.13 31.01 3jxf s GLU 188 CO 0.77 0.29 1.39 -2.00 0.95 0.00 0.00 175.26 176.67 3jxf s GLU 189 N -3.95 4.31 -0.63 -4.83 2.12 -1.26 -3.49 118.70 110.98 3jxf s GLU 189 Ca 0.36 2.21 -0.24 0.00 0.36 0.00 0.00 54.97 57.66 3jxf s GLU 189 Cb -0.08 -3.14 0.05 0.00 0.26 0.00 0.00 34.13 31.22 3jxf s GLU 189 CO 0.27 -0.36 1.03 1.21 -0.54 0.00 0.00 175.26 176.87 3jxf s ASN 190 N 0.38 6.25 0.55 -1.70 3.84 -1.26 -4.90 114.94 118.10 3jxf s ASN 190 Ca 0.59 -0.59 0.33 0.00 0.21 0.00 0.00 52.86 53.39 3jxf s ASN 190 Cb -0.40 -2.46 1.56 0.00 -0.55 0.00 0.00 41.25 39.41 3jxf s ASN 190 CO 0.41 -1.44 2.07 -0.07 -2.79 0.00 0.00 177.10 175.28 3jxf h LEU 191 N 11.57 0.00 -2.12 3.21 3.38 -1.95 -1.59 115.31 127.81 3jxf h LEU 191 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3jxf h LEU 191 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3jxf h LEU 191 CO 1.17 0.06 -0.02 0.44 0.09 0.00 0.00 178.44 180.18 3jxf h ASP 192 N 0.00 0.00 -0.26 -0.43 3.32 -1.90 -2.51 116.42 114.64 3jxf h ASP 192 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3jxf h ASP 192 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3jxf h ASP 192 CO 0.01 0.02 0.00 0.49 -1.72 0.00 0.00 179.24 178.03 3jxf n PHE 193 N -3.15 0.34 -0.15 4.55 3.72 -0.60 -4.64 117.46 117.53 3jxf n PHE 193 Ca -0.01 -0.25 -0.03 0.00 -0.05 0.00 0.00 57.45 57.11 3jxf n PHE 193 Cb 0.21 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.79 3jxf n PHE 193 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3jxf h LYS 194 N 3.01 0.13 -0.74 -1.08 3.64 -1.42 0.73 116.57 120.85 3jxf h LYS 194 Ca 0.00 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3jxf h LYS 194 Cb 0.75 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 3jxf h LYS 194 CO 0.00 0.09 0.48 0.00 -2.27 0.00 0.00 179.45 177.75 3jxf h ALA 195 N 1.41 0.94 0.27 5.00 0.00 -1.82 -0.60 119.26 124.46 3jxf h ALA 195 Ca 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3jxf h ALA 195 Cb 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3jxf h ALA 195 CO -0.37 0.36 -0.13 0.82 0.00 0.00 0.00 179.25 179.93 3jxf h ILE 196 N 1.00 0.78 -0.44 0.00 1.08 -1.65 -1.85 117.51 116.43 3jxf h ILE 196 Ca 0.27 -0.34 0.04 0.00 -0.39 0.00 0.00 64.86 64.44 3jxf h ILE 196 Cb -0.11 0.97 -0.04 0.00 -3.07 0.00 0.00 36.82 34.57 3jxf h ILE 196 CO -0.06 0.07 0.21 0.40 -0.69 0.00 0.00 178.15 178.09 3jxf h ILE 197 N -0.54 0.95 -0.91 -0.67 1.08 -0.72 -0.56 117.51 116.15 3jxf h ILE 197 Ca -0.04 -0.15 0.12 0.00 -0.39 0.00 0.00 64.86 64.40 3jxf h ILE 197 Cb 0.40 0.49 -0.07 0.00 -3.07 0.00 0.00 36.82 34.57 3jxf h ILE 197 CO 0.06 0.08 0.58 0.44 -0.69 0.00 0.00 178.15 178.62 3jxf h ASP 198 N 0.43 0.78 -0.32 1.72 3.32 -1.03 -1.87 116.42 119.44 3jxf h ASP 198 Ca 0.19 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 3jxf h ASP 198 Cb 0.11 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3jxf h ASP 198 CO -0.14 0.43 -0.20 1.23 -1.72 0.00 0.00 179.24 178.83 3jxf h GLY 199 N 0.84 0.76 0.96 2.75 0.00 -0.34 -2.53 103.07 105.50 3jxf h GLY 199 Ca 0.44 -0.72 0.05 0.00 0.00 0.00 0.00 47.33 47.11 3jxf h GLY 199 CO -0.20 0.65 0.55 -2.08 0.00 0.00 0.00 176.54 175.46 3jxf h VAL 200 N 0.46 1.08 -0.72 4.60 2.07 -0.65 -0.62 116.25 122.47 3jxf h VAL 200 Ca 0.06 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3jxf h VAL 200 Cb 0.75 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3jxf h VAL 200 CO 0.06 0.18 0.33 -0.33 0.02 0.00 0.00 177.57 177.83 3jxf h GLU 201 N 0.97 1.03 0.00 1.57 5.08 -1.22 -2.68 114.58 119.34 3jxf h GLU 201 Ca 0.35 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3jxf h GLU 201 Cb 0.16 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3jxf h GLU 201 CO -0.12 0.80 0.00 0.77 -1.00 0.00 0.00 179.01 179.46 3jxf h SER 202 N 1.02 0.00 -0.62 1.42 0.02 -0.68 -3.28 113.55 111.43 3jxf h SER 202 Ca 0.25 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.76 3jxf h SER 202 Cb 0.12 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.35 3jxf h SER 202 CO -0.03 0.00 -0.53 1.33 -1.14 0.00 0.00 176.83 176.46 3jxf n VAL 203 N -3.09 2.59 -0.24 2.27 0.24 -1.00 -4.71 118.33 114.40 3jxf n VAL 203 Ca 0.00 -3.80 0.01 0.00 -2.04 0.00 0.00 64.34 58.51 3jxf n VAL 203 Cb 0.29 -0.92 0.24 0.00 -1.47 0.00 0.00 33.84 31.98 3jxf n VAL 203 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3jxf h SER 204 N 1.86 0.88 -3.35 -1.34 0.02 -1.65 -3.41 113.55 106.57 3jxf h SER 204 Ca 0.32 -0.02 -0.52 0.00 -0.84 0.00 0.00 61.79 60.73 3jxf h SER 204 Cb 1.39 -0.21 0.02 0.00 0.14 0.00 0.00 62.40 63.74 3jxf h SER 204 CO 0.69 0.62 0.61 -0.60 -1.14 0.00 0.00 176.83 177.01 3jxf s ARG 205 N -5.87 4.43 -0.00 3.45 3.52 -1.26 -0.44 118.95 122.78 3jxf s ARG 205 Ca -0.11 1.94 -0.37 0.00 -0.13 0.00 0.00 55.73 57.06 3jxf s ARG 205 Cb 0.18 -3.24 -0.16 0.00 -1.56 0.00 0.00 34.95 30.17 3jxf s ARG 205 CO 0.79 -0.21 1.48 0.34 -0.81 0.00 0.00 175.30 176.88 3jxf n PHE 206 N 2.94 1.73 -0.76 5.12 -0.00 -1.26 -1.69 117.46 123.55 3jxf n PHE 206 Ca 0.06 0.56 0.00 0.00 -0.00 0.00 0.00 57.45 58.08 3jxf n PHE 206 Cb 0.44 -2.39 0.00 0.00 -0.00 0.00 0.00 39.48 37.53 3jxf n PHE 206 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3jxf n GLY 207 N 3.07 1.41 3.77 7.13 0.00 -0.07 -5.01 105.19 115.50 3jxf n GLY 207 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3jxf n GLY 207 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jxf s LYS 208 N -0.02 4.20 0.18 1.61 2.47 -0.68 -4.70 119.74 122.80 3jxf s LYS 208 Ca 0.00 1.74 0.11 0.00 -1.56 0.00 0.00 55.97 56.26 3jxf s LYS 208 Cb 0.00 -2.74 -0.04 0.00 -1.46 0.00 0.00 37.83 33.59 3jxf s LYS 208 CO 0.00 -0.17 -0.22 -0.65 0.16 0.00 0.00 175.35 174.47 3jxf s GLN 209 N -2.19 1.59 -0.10 4.03 -0.21 -1.26 -1.72 119.66 119.79 3jxf s GLN 209 Ca 0.55 -1.47 -0.12 0.00 0.02 0.00 0.00 55.36 54.34 3jxf s GLN 209 Cb -0.28 -1.90 0.03 0.00 1.00 0.00 0.00 33.01 31.86 3jxf s GLN 209 CO 0.36 0.41 0.33 0.00 -2.12 0.00 0.00 175.29 174.27 3jxf s ALA 210 N -1.61 -0.82 0.27 6.09 0.00 -0.58 -4.97 121.76 120.15 3jxf s ALA 210 Ca 0.21 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 3jxf s ALA 210 Cb -0.08 -0.40 -0.10 0.00 0.00 0.00 0.00 23.12 22.54 3jxf s ALA 210 CO 0.10 -0.18 1.28 0.00 0.00 0.00 0.00 175.76 176.96 3jxf s ALA 211 N -0.20 3.50 -0.00 0.00 0.00 -1.26 -1.51 121.76 122.28 3jxf s ALA 211 Ca -0.03 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 52.91 3jxf s ALA 211 Cb -0.03 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 3jxf s ALA 211 CO 0.01 -0.53 0.47 -0.51 0.00 0.00 0.00 175.76 175.21 3jxf s LEU 212 N -1.08 4.45 0.99 0.00 1.43 0.11 -4.91 118.68 119.67 3jxf s LEU 212 Ca 0.51 1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 3jxf s LEU 212 Cb -0.37 -2.70 0.14 0.00 0.03 0.00 0.00 46.19 43.28 3jxf s LEU 212 CO 0.45 0.24 0.82 0.47 0.23 0.00 0.00 176.35 178.56 3jxf n ASP 213 N 2.17 -0.93 -4.77 2.29 8.00 -1.26 -4.80 116.55 117.25 3jxf n ASP 213 Ca -0.11 0.25 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 3jxf n ASP 213 Cb 0.52 -1.32 -0.01 0.00 -0.02 0.00 0.00 41.12 40.29 3jxf n ASP 213 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3jxf s PRO 214 N -4.21 4.14 0.17 -0.24 0.02 -1.26 -4.88 135.00 128.73 3jxf s PRO 214 Ca 0.63 2.54 -0.08 0.00 0.02 0.00 0.00 61.00 64.11 3jxf s PRO 214 Cb -0.22 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 3jxf s PRO 214 CO 0.63 -0.52 0.28 -0.59 -0.33 0.00 0.00 177.00 176.46 3jxf s PHE 215 N -0.85 0.44 -0.24 6.54 -0.12 -1.26 -4.79 117.98 117.70 3jxf s PHE 215 Ca 0.55 -0.80 -0.04 0.00 -0.05 0.00 0.00 56.93 56.59 3jxf s PHE 215 Cb -0.46 -0.08 0.00 0.00 -0.63 0.00 0.00 43.02 41.85 3jxf s PHE 215 CO 0.58 -0.72 -0.02 0.42 -0.05 0.00 0.00 175.22 175.44 3jxf s ILE 216 N -3.98 3.42 0.23 -4.49 1.01 -1.26 -1.03 121.20 115.10 3jxf s ILE 216 Ca 0.18 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 3jxf s ILE 216 Cb 0.03 -2.64 0.20 0.00 0.01 0.00 0.00 42.46 40.06 3jxf s ILE 216 CO 0.01 0.30 1.85 0.25 0.00 0.00 0.00 174.94 177.35 3jxf h LEU 217 N 8.12 1.11 -1.58 2.97 5.85 -1.73 -2.49 115.31 127.56 3jxf h LEU 217 Ca -0.37 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 3jxf h LEU 217 Cb 1.14 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3jxf h LEU 217 CO 0.60 0.90 0.10 0.25 -0.34 0.00 0.00 178.44 179.95 3jxf h LEU 218 N 1.24 0.33 0.00 2.25 5.85 -1.73 -1.06 115.31 122.19 3jxf h LEU 218 Ca 0.31 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3jxf h LEU 218 Cb 0.04 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3jxf h LEU 218 CO -0.05 0.31 0.00 0.59 -0.34 0.00 0.00 178.44 178.96 3jxf n ASN 219 N -4.42 0.00 0.10 1.25 5.03 -0.94 -1.96 115.26 114.32 3jxf n ASN 219 Ca 0.01 0.14 0.13 0.00 0.87 0.00 0.00 54.58 55.73 3jxf n ASN 219 Cb 0.13 -0.37 0.42 0.00 -1.02 0.00 0.00 39.78 38.95 3jxf n ASN 219 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3jxf n LEU 220 N -1.37 0.75 -4.92 3.41 4.32 -0.40 -4.86 117.00 113.93 3jxf n LEU 220 Ca 0.10 0.58 -0.26 0.00 -0.02 0.00 0.00 56.01 56.41 3jxf n LEU 220 Cb 0.24 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 3jxf n LEU 220 CO 0.21 -0.19 0.37 -0.76 -1.22 0.00 0.00 177.39 175.79 3jxf s LEU 221 N -4.42 3.69 0.50 2.23 1.02 -0.83 -5.00 118.68 115.87 3jxf s LEU 221 Ca 0.10 0.72 -0.22 0.00 0.02 0.00 0.00 54.13 54.76 3jxf s LEU 221 Cb 0.13 -3.63 -0.08 0.00 0.02 0.00 0.00 46.19 42.62 3jxf s LEU 221 CO 0.58 -0.56 1.01 -2.65 0.02 0.00 0.00 176.35 174.74 3jxf n PRO 222 N -2.15 1.22 -0.36 1.29 -0.02 -1.26 -4.87 135.00 128.85 3jxf n PRO 222 Ca -0.00 0.45 0.05 0.00 -2.02 0.00 0.00 63.50 61.98 3jxf n PRO 222 Cb 0.56 -2.12 0.13 0.00 -0.02 0.00 0.00 33.50 32.05 3jxf n PRO 222 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3jxf h ASN 223 N 1.16 -0.95 -3.46 2.55 -0.00 -1.94 -3.36 115.58 109.57 3jxf h ASN 223 Ca -0.47 0.30 -0.66 0.00 -0.00 0.00 0.00 56.30 55.47 3jxf h ASN 223 Cb 1.34 0.62 -0.28 0.00 -0.00 0.00 0.00 38.32 40.01 3jxf h ASN 223 CO 0.54 -0.32 -0.70 -0.94 -0.00 0.00 0.00 177.43 176.01 3jxf s SER 224 N -5.27 4.48 -0.07 1.15 1.04 -1.26 -4.98 113.70 108.79 3jxf s SER 224 Ca -0.15 -0.49 0.16 0.00 0.48 0.00 0.00 55.95 55.95 3jxf s SER 224 Cb 0.26 -1.76 0.53 0.00 0.10 0.00 0.00 66.02 65.15 3jxf s SER 224 CO 0.77 -0.06 1.45 0.35 0.98 0.00 0.00 173.24 176.73 3jxf n THR 225 N 4.80 1.51 0.80 2.02 -2.24 -1.26 -4.33 114.28 115.58 3jxf n THR 225 Ca -0.17 -1.23 0.12 0.00 -2.27 0.00 0.00 64.05 60.50 3jxf n THR 225 Cb 0.50 0.24 0.20 0.00 -2.10 0.00 0.00 70.33 69.17 3jxf n THR 225 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jxf n ASP 226 N 0.68 0.58 -4.40 3.42 5.75 -1.26 -4.72 116.55 116.60 3jxf n ASP 226 Ca 0.20 -0.11 -0.42 0.00 -0.01 0.00 0.00 54.79 54.45 3jxf n ASP 226 Cb 0.69 0.28 -0.10 0.00 -1.03 0.00 0.00 41.12 40.96 3jxf n ASP 226 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3jxf s LYS 227 N -3.08 2.88 0.17 0.11 2.47 -1.26 -4.68 119.74 116.35 3jxf s LYS 227 Ca 0.08 -1.16 -0.15 0.00 -1.56 0.00 0.00 55.97 53.19 3jxf s LYS 227 Cb 0.16 -3.90 0.02 0.00 -1.46 0.00 0.00 37.83 32.64 3jxf s LYS 227 CO 0.72 -0.81 0.43 1.52 0.16 0.00 0.00 175.35 177.37 3jxf s TYR 228 N 1.60 0.01 0.13 4.03 1.13 -1.26 -2.23 117.35 120.76 3jxf s TYR 228 Ca 0.03 -0.36 0.08 0.00 -1.41 0.00 0.00 57.07 55.41 3jxf s TYR 228 Cb -0.21 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.85 3jxf s TYR 228 CO 0.07 -0.81 -0.09 0.71 -2.51 0.00 0.00 175.55 172.92 3jxf s TYR 229 N -3.88 2.73 0.00 -3.49 2.02 0.42 -1.24 117.35 113.90 3jxf s TYR 229 Ca 0.10 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 3jxf s TYR 229 Cb 0.01 -1.39 -0.01 0.00 -0.40 0.00 0.00 41.96 40.17 3jxf s TYR 229 CO -0.04 0.46 -0.06 -1.50 -1.57 0.00 0.00 175.55 172.84 3jxf s ILE 230 N -1.39 0.43 0.18 2.71 2.07 0.29 -0.21 121.20 125.28 3jxf s ILE 230 Ca 0.23 -0.36 -0.14 0.00 -1.41 0.00 0.00 60.65 58.97 3jxf s ILE 230 Cb -0.10 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.11 3jxf s ILE 230 CO 0.15 0.03 0.42 -0.72 -1.91 0.00 0.00 174.94 172.91 3jxf s TYR 231 N -0.33 0.10 -0.29 3.50 1.13 -0.82 -0.90 117.35 119.74 3jxf s TYR 231 Ca -0.00 -0.45 -0.23 0.00 -1.41 0.00 0.00 57.07 54.98 3jxf s TYR 231 Cb -0.03 0.20 -0.00 0.00 -1.10 0.00 0.00 41.96 41.03 3jxf s TYR 231 CO -0.00 -0.83 0.75 -0.80 -2.51 0.00 0.00 175.55 172.15 3jxf s ASN 232 N -2.91 6.64 0.00 -0.18 0.02 -1.26 -0.96 114.94 116.29 3jxf s ASN 232 Ca 0.12 0.66 0.00 0.00 -1.02 0.00 0.00 52.86 52.63 3jxf s ASN 232 Cb 0.01 -2.39 0.00 0.00 0.02 0.00 0.00 41.25 38.89 3jxf s ASN 232 CO -0.02 -0.55 0.00 0.61 0.02 0.00 0.00 177.10 177.16 3jxf n GLY 233 N 4.19 5.34 3.55 0.66 0.00 0.23 -4.84 105.19 114.32 3jxf n GLY 233 Ca 0.03 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 3jxf n GLY 233 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jxf s SER 234 N 1.09 0.30 0.59 1.61 1.04 -1.21 -1.81 113.70 115.31 3jxf s SER 234 Ca 0.00 -1.18 -0.19 0.00 0.48 0.00 0.00 55.95 55.05 3jxf s SER 234 Cb 0.00 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 3jxf s SER 234 CO 0.00 -1.23 1.25 -0.76 0.98 0.00 0.00 173.24 173.48 3jxf s LEU 235 N -3.11 3.70 -0.20 2.42 1.43 -0.55 -4.36 118.68 118.00 3jxf s LEU 235 Ca 0.26 2.51 0.14 0.00 -1.03 0.00 0.00 54.13 56.01 3jxf s LEU 235 Cb -0.01 -4.53 0.77 0.00 0.03 0.00 0.00 46.19 42.45 3jxf s LEU 235 CO 0.14 -1.66 1.67 0.35 0.23 0.00 0.00 176.35 177.08 3jxf n THR 236 N -1.50 2.42 -3.55 5.49 -2.24 -1.26 -4.43 114.28 109.20 3jxf n THR 236 Ca 0.13 -1.28 -0.11 0.00 -2.27 0.00 0.00 64.05 60.52 3jxf n THR 236 Cb 0.48 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 3jxf n THR 236 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3jxf s SER 237 N -0.77 -0.39 0.39 3.42 1.04 -1.26 -4.58 113.70 111.54 3jxf s SER 237 Ca 0.52 -0.19 -0.25 0.00 0.48 0.00 0.00 55.95 56.50 3jxf s SER 237 Cb 0.38 0.55 -0.11 0.00 0.10 0.00 0.00 66.02 66.94 3jxf s SER 237 CO 0.17 -0.94 1.06 -2.65 0.98 0.00 0.00 173.24 171.86 3jxf n PRO 238 N -0.32 1.47 -0.05 4.02 -0.02 -1.26 -0.76 135.00 138.08 3jxf n PRO 238 Ca -0.16 0.52 0.05 0.00 -2.02 0.00 0.00 63.50 61.90 3jxf n PRO 238 Cb 0.64 -2.06 0.21 0.00 -0.02 0.00 0.00 33.50 32.27 3jxf n PRO 238 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3jxf n PRO 239 N 0.27 1.30 -1.70 0.52 -0.05 -1.26 -4.98 135.00 129.10 3jxf n PRO 239 Ca 0.09 -0.45 -0.15 0.00 -0.05 0.00 0.00 63.50 62.93 3jxf n PRO 239 Cb 0.38 -1.18 -0.05 0.00 -0.05 0.00 0.00 33.50 32.60 3jxf n PRO 239 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3jxf n THR 241 N -3.00 0.02 0.34 0.00 -1.04 -1.26 -4.23 114.28 105.11 3jxf n THR 241 Ca -0.16 -0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.82 3jxf n THR 241 Cb 0.54 -0.35 0.09 0.00 -1.82 0.00 0.00 70.33 68.79 3jxf n THR 241 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3jxf n ASP 242 N 2.30 2.90 -0.88 8.00 9.92 -1.26 -1.49 116.55 136.04 3jxf n ASP 242 Ca 0.21 -2.41 0.05 0.00 -0.53 0.00 0.00 54.79 52.11 3jxf n ASP 242 Cb 0.10 -0.59 0.11 0.00 -0.64 0.00 0.00 41.12 40.10 3jxf n ASP 242 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3jxf n THR 243 N 0.08 1.11 -3.67 -3.53 -2.24 -1.20 -4.79 114.28 100.04 3jxf n THR 243 Ca 0.14 -1.96 -0.37 0.00 -2.27 0.00 0.00 64.05 59.59 3jxf n THR 243 Cb 0.72 0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 69.15 3jxf n THR 243 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3jxf s VAL 244 N -1.63 4.81 -0.24 2.28 1.01 -0.75 -1.37 120.40 124.50 3jxf s VAL 244 Ca 0.32 -0.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 3jxf s VAL 244 Cb 0.33 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3jxf s VAL 244 CO -0.09 0.29 0.80 -1.81 0.00 0.00 0.00 175.10 174.29 3jxf s ASP 245 N 1.69 6.79 -0.09 3.32 1.01 -0.61 0.77 116.67 129.55 3jxf s ASP 245 Ca 0.07 0.99 -0.13 0.00 0.71 0.00 0.00 52.55 54.19 3jxf s ASP 245 Cb -0.16 -2.42 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 3jxf s ASP 245 CO 0.07 -0.49 0.30 0.26 0.21 0.00 0.00 175.17 175.53 3jxf s TRP 246 N 2.75 3.59 -0.21 4.23 0.52 -0.13 -2.10 118.94 127.58 3jxf s TRP 246 Ca 0.34 0.73 -0.05 0.00 0.02 0.00 0.00 56.10 57.14 3jxf s TRP 246 Cb -0.15 -2.24 -0.02 0.00 -1.15 0.00 0.00 33.47 29.91 3jxf s TRP 246 CO 0.08 0.50 -0.02 0.42 0.02 0.00 0.00 176.95 177.95 3jxf s ILE 247 N -0.42 3.69 -0.22 2.03 1.01 -0.20 -1.94 121.20 125.14 3jxf s ILE 247 Ca 0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 3jxf s ILE 247 Cb -0.14 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.67 3jxf s ILE 247 CO 0.07 0.42 -0.10 -0.69 0.00 0.00 0.00 174.94 174.64 3jxf s VAL 248 N 1.29 2.67 0.22 2.92 1.01 0.70 -0.53 120.40 128.69 3jxf s VAL 248 Ca 0.04 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 3jxf s VAL 248 Cb -0.14 -2.28 -0.09 0.00 0.00 0.00 0.00 36.38 33.87 3jxf s VAL 248 CO -0.00 0.32 1.08 -0.36 0.00 0.00 0.00 175.10 176.14 3jxf s PHE 249 N 1.32 3.64 0.15 5.22 0.40 -1.06 -0.44 117.98 127.21 3jxf s PHE 249 Ca 0.02 1.68 -0.02 0.00 -0.60 0.00 0.00 56.93 58.01 3jxf s PHE 249 Cb -0.15 -3.24 -0.03 0.00 0.51 0.00 0.00 43.02 40.10 3jxf s PHE 249 CO -0.07 -0.45 1.36 -0.22 0.70 0.00 0.00 175.22 176.54 3jxf h LYS 250 N 4.49 0.37 -6.57 0.44 3.64 -1.80 -3.44 116.57 113.69 3jxf h LYS 250 Ca -0.45 -0.36 -0.52 0.00 -1.27 0.00 0.00 60.65 58.05 3jxf h LYS 250 Cb 1.21 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 3jxf h LYS 250 CO 0.70 1.03 0.10 -0.51 -2.27 0.00 0.00 179.45 178.50 3jxf s ASP 251 N -7.02 7.03 0.31 4.20 1.01 -1.26 -5.08 116.67 115.86 3jxf s ASP 251 Ca -0.05 1.39 0.03 0.00 0.71 0.00 0.00 52.55 54.63 3jxf s ASP 251 Cb 0.10 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 3jxf s ASP 251 CO 0.85 0.02 0.47 0.42 0.21 0.00 0.00 175.17 177.14 3jxf s THR 252 N -1.55 4.99 -0.11 -1.27 -4.23 -1.26 -4.65 115.64 107.55 3jxf s THR 252 Ca 0.43 -0.74 -0.04 0.00 -1.18 0.00 0.00 61.69 60.17 3jxf s THR 252 Cb -0.16 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 3jxf s THR 252 CO 0.21 -0.41 0.03 -0.69 -0.54 0.00 0.00 174.62 173.22 3jxf s VAL 253 N -2.18 4.57 -0.12 2.29 1.01 0.08 -4.80 120.40 121.26 3jxf s VAL 253 Ca 0.38 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 3jxf s VAL 253 Cb -0.09 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3jxf s VAL 253 CO 0.33 0.57 0.10 -0.94 0.00 0.00 0.00 175.10 175.16 3jxf s SER 254 N -0.60 6.07 0.17 3.32 1.04 -1.26 -0.82 113.70 121.61 3jxf s SER 254 Ca 0.10 0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.91 3jxf s SER 254 Cb -0.12 -1.92 -0.05 0.00 0.10 0.00 0.00 66.02 64.04 3jxf s SER 254 CO 0.02 0.38 -0.00 0.27 0.98 0.00 0.00 173.24 174.89 3jxf s ILE 255 N -0.88 0.66 0.63 -1.02 -4.36 -0.59 -4.58 121.20 111.06 3jxf s ILE 255 Ca 0.14 -1.97 -0.09 0.00 -0.26 0.00 0.00 60.65 58.46 3jxf s ILE 255 Cb -0.12 -2.08 -0.00 0.00 1.25 0.00 0.00 42.46 41.50 3jxf s ILE 255 CO 0.03 -0.51 1.00 -0.94 0.24 0.00 0.00 174.94 174.77 3jxf s SER 256 N -3.16 5.75 0.33 4.36 1.04 -1.23 0.80 113.70 121.59 3jxf s SER 256 Ca 0.23 1.07 0.03 0.00 0.48 0.00 0.00 55.95 57.76 3jxf s SER 256 Cb 0.06 -2.03 0.61 0.00 0.10 0.00 0.00 66.02 64.76 3jxf s SER 256 CO 0.03 -1.08 1.94 -0.08 0.98 0.00 0.00 173.24 175.03 3jxf h GLU 257 N -0.36 0.89 0.00 4.02 4.81 -1.88 -1.58 114.58 120.47 3jxf h GLU 257 Ca -0.45 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.59 3jxf h GLU 257 Cb 1.23 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 3jxf h GLU 257 CO 0.62 0.59 -0.64 0.66 -0.73 0.00 0.00 179.01 179.51 3jxf h SER 258 N 0.92 0.00 -0.33 1.04 4.64 -1.95 -1.74 113.55 116.12 3jxf h SER 258 Ca 0.34 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.52 3jxf h SER 258 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3jxf h SER 258 CO -0.12 0.64 -0.35 1.56 -0.87 0.00 0.00 176.83 177.69 3jxf h GLN 259 N 0.00 0.83 -0.25 4.77 4.20 -1.78 -3.19 115.11 119.69 3jxf h GLN 259 Ca -0.01 -0.44 -0.07 0.00 0.06 0.00 0.00 58.65 58.19 3jxf h GLN 259 Cb 1.14 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 3jxf h GLN 259 CO 0.08 1.08 -0.13 1.25 -0.67 0.00 0.00 178.83 180.44 3jxf h LEU 260 N 0.61 0.41 -2.12 1.46 5.85 -1.03 -3.02 115.31 117.46 3jxf h LEU 260 Ca 0.05 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3jxf h LEU 260 Cb 0.94 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 3jxf h LEU 260 CO 0.09 0.57 -0.08 0.00 -0.34 0.00 0.00 178.44 178.68 3jxf h ALA 261 N 1.47 1.41 0.00 1.25 0.00 -1.30 -2.74 119.26 119.35 3jxf h ALA 261 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3jxf h ALA 261 Cb 0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3jxf h ALA 261 CO 0.03 0.09 -0.20 -0.39 0.00 0.00 0.00 179.25 178.79 3jxf h VAL 262 N 0.00 0.84 -0.25 0.00 -1.51 -1.64 -2.77 116.25 110.92 3jxf h VAL 262 Ca -0.00 -0.76 -0.10 0.00 -1.23 0.00 0.00 66.70 64.61 3jxf h VAL 262 Cb 0.20 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.80 3jxf h VAL 262 CO 0.01 0.19 -0.27 -0.26 -1.23 0.00 0.00 177.57 176.01 3jxf h PHE 263 N 0.00 0.56 -0.02 5.19 -1.00 -1.70 -2.57 116.94 117.40 3jxf h PHE 263 Ca -0.00 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.65 3jxf h PHE 263 Cb 0.43 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.86 3jxf h PHE 263 CO 0.00 0.72 0.00 0.00 -1.61 0.00 0.00 178.31 177.42 3jxf n GLU 265 N -0.69 0.46 -2.26 0.00 -0.58 -0.97 -4.71 120.64 111.90 3jxf n GLU 265 Ca 0.19 -0.29 -0.41 0.00 -0.42 0.00 0.00 57.16 56.23 3jxf n GLU 265 Cb 0.13 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 3jxf n GLU 265 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3jxf s VAL 266 N -2.74 3.15 0.02 2.62 1.01 -1.00 -4.79 120.40 118.67 3jxf s VAL 266 Ca 0.17 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.21 3jxf s VAL 266 Cb 0.18 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3jxf s VAL 266 CO 0.62 0.21 0.10 -0.76 0.00 0.00 0.00 175.10 175.28 3jxf s LEU 267 N -0.92 3.97 0.33 3.92 2.01 0.42 -0.09 118.68 128.31 3jxf s LEU 267 Ca 0.51 0.14 0.06 0.00 0.01 0.00 0.00 54.13 54.85 3jxf s LEU 267 Cb -0.36 -2.44 -0.03 0.00 0.01 0.00 0.00 46.19 43.38 3jxf s LEU 267 CO 0.43 0.23 0.29 0.28 1.01 0.00 0.00 176.35 178.60 3jxf s THR 268 N -1.29 0.00 0.05 5.49 -1.32 0.49 -4.05 115.64 115.02 3jxf s THR 268 Ca 0.26 -1.96 0.06 0.00 -1.21 0.00 0.00 61.69 58.84 3jxf s THR 268 Cb -0.12 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.33 3jxf s THR 268 CO 0.18 0.00 -0.17 -0.04 -2.21 0.00 0.00 174.62 172.38 3jxf s MET 269 N -3.43 1.09 -0.09 7.08 1.00 -1.26 -1.65 119.30 122.03 3jxf s MET 269 Ca 0.40 -0.89 -0.11 0.00 0.00 0.00 0.00 55.69 55.09 3jxf s MET 269 Cb 0.02 -1.16 0.03 0.00 0.00 0.00 0.00 34.83 33.72 3jxf s MET 269 CO 0.27 0.29 0.30 1.14 0.00 0.00 0.00 175.02 177.01 3jxf s GLN 270 N -1.31 0.41 -0.07 2.03 -2.07 -0.36 -4.98 119.66 113.31 3jxf s GLN 270 Ca 0.04 0.30 -0.30 0.00 -1.82 0.00 0.00 55.36 53.58 3jxf s GLN 270 Cb -0.09 0.19 -0.03 0.00 -1.09 0.00 0.00 33.01 32.00 3jxf s GLN 270 CO 0.02 -0.07 1.16 -1.14 -1.32 0.00 0.00 175.29 173.94 3jxf s GLN 271 N -0.13 4.36 -0.29 9.60 2.00 -1.26 -1.09 119.66 132.85 3jxf s GLN 271 Ca -0.03 1.60 0.01 0.00 -2.00 0.00 0.00 55.36 54.95 3jxf s GLN 271 Cb -0.03 -3.56 0.08 0.00 0.80 0.00 0.00 33.01 30.30 3jxf s GLN 271 CO 0.01 -0.43 0.03 0.45 -0.50 0.00 0.00 175.29 174.85 3jxf s SER 272 N 1.40 4.13 1.29 6.67 0.15 0.13 -4.51 113.70 122.97 3jxf s SER 272 Ca 0.54 -1.58 0.00 0.00 0.70 0.00 0.00 55.95 55.61 3jxf s SER 272 Cb -0.23 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 3jxf s SER 272 CO 0.20 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.92 3jxf n GLY 273 N 4.63 2.76 1.46 9.45 0.00 -1.26 -2.23 105.19 120.00 3jxf n GLY 273 Ca -0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.60 3jxf n GLY 273 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3jxf n TYR 274 N 13.64 1.42 -4.11 1.61 4.01 -1.26 -4.88 117.16 127.58 3jxf n TYR 274 Ca 0.00 -0.76 -0.16 0.00 -0.16 0.00 0.00 57.90 56.82 3jxf n TYR 274 Cb 0.00 -0.46 -0.15 0.00 -0.31 0.00 0.00 39.34 38.42 3jxf n TYR 274 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3jxf s VAL 275 N -1.95 0.36 -0.17 -0.72 1.01 -0.95 -5.12 120.40 112.86 3jxf s VAL 275 Ca 0.32 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 3jxf s VAL 275 Cb 0.25 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 3jxf s VAL 275 CO 0.08 0.11 0.45 -0.32 0.00 0.00 0.00 175.10 175.43 3jxf s MET 276 N 0.02 4.24 0.01 2.72 1.75 -1.26 0.17 119.30 126.95 3jxf s MET 276 Ca 0.00 0.34 0.09 0.00 -1.25 0.00 0.00 55.69 54.87 3jxf s MET 276 Cb -0.03 -3.50 -0.02 0.00 2.84 0.00 0.00 34.83 34.11 3jxf s MET 276 CO -0.00 0.01 -0.26 -0.51 -0.65 0.00 0.00 175.02 173.61 3jxf s LEU 277 N 1.12 2.11 -0.05 4.11 1.43 -0.25 -4.95 118.68 122.21 3jxf s LEU 277 Ca 0.23 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 3jxf s LEU 277 Cb -0.15 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 3jxf s LEU 277 CO 0.09 0.29 0.36 -0.32 0.23 0.00 0.00 176.35 176.99 3jxf s MET 278 N -0.93 3.90 0.25 1.70 -2.45 -1.26 -1.22 119.30 119.29 3jxf s MET 278 Ca 0.11 0.29 -0.12 0.00 -1.25 0.00 0.00 55.69 54.71 3jxf s MET 278 Cb -0.10 -3.25 -0.00 0.00 1.25 0.00 0.00 34.83 32.72 3jxf s MET 278 CO 0.01 0.62 0.47 0.34 1.05 0.00 0.00 175.02 177.51 3jxf s ASP 279 N -0.79 -0.06 0.34 1.11 -1.08 -0.66 -5.00 116.67 110.54 3jxf s ASP 279 Ca 0.22 -0.96 -0.27 0.00 -0.52 0.00 0.00 52.55 51.02 3jxf s ASP 279 Cb -0.15 0.59 -0.09 0.00 -1.46 0.00 0.00 42.92 41.80 3jxf s ASP 279 CO 0.11 -1.14 1.09 -0.31 0.52 0.00 0.00 175.17 175.43 3jxf s TYR 280 N -3.98 3.37 -0.34 -5.34 2.02 -1.26 -0.38 117.35 111.44 3jxf s TYR 280 Ca 0.23 1.65 -0.29 0.00 -0.37 0.00 0.00 57.07 58.29 3jxf s TYR 280 Cb -0.01 -3.25 0.02 0.00 -0.40 0.00 0.00 41.96 38.33 3jxf s TYR 280 CO 0.09 -0.71 1.09 -1.17 -1.57 0.00 0.00 175.55 173.28 3jxf s LEU 281 N -2.07 3.89 0.06 -1.29 2.96 0.86 -4.74 118.68 118.35 3jxf s LEU 281 Ca 0.52 0.98 -0.08 0.00 -0.22 0.00 0.00 54.13 55.32 3jxf s LEU 281 Cb -0.28 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.86 3jxf s LEU 281 CO 0.36 -0.94 0.16 -1.10 -1.32 0.00 0.00 176.35 173.51 3jxf s GLN 282 N 3.78 0.72 -1.39 1.98 -0.21 -1.26 -4.62 119.66 118.66 3jxf s GLN 282 Ca 0.46 -0.80 -0.03 0.00 0.02 0.00 0.00 55.36 55.01 3jxf s GLN 282 Cb -0.12 0.29 0.02 0.00 1.00 0.00 0.00 33.01 34.21 3jxf s GLN 282 CO 0.18 -0.21 0.68 0.09 -2.12 0.00 0.00 175.29 173.91 3jxf n ASN 283 N 0.41 -1.70 -3.57 5.90 3.02 -0.75 -4.86 115.26 113.71 3jxf n ASN 283 Ca -0.17 -0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 53.10 3jxf n ASN 283 Cb 0.60 -3.71 0.01 0.00 -0.61 0.00 0.00 39.78 36.07 3jxf n ASN 283 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3jxf n ASN 284 N -2.98 7.68 -4.07 6.41 6.94 -0.90 -4.90 115.26 123.44 3jxf n ASN 284 Ca -0.22 -3.39 -0.15 0.00 -0.02 0.00 0.00 54.58 50.80 3jxf n ASN 284 Cb 0.64 -1.28 -0.12 0.00 -2.36 0.00 0.00 39.78 36.67 3jxf n ASN 284 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3jxf s PHE 285 N -2.57 0.77 0.32 -2.53 -0.12 -1.26 -4.47 117.98 108.12 3jxf s PHE 285 Ca 0.47 -0.41 -0.22 0.00 -0.05 0.00 0.00 56.93 56.72 3jxf s PHE 285 Cb 0.18 -0.46 -0.10 0.00 -0.63 0.00 0.00 43.02 42.02 3jxf s PHE 285 CO -0.11 -0.04 0.86 0.50 -0.05 0.00 0.00 175.22 176.39 3jxf s ARG 286 N -1.30 4.35 0.77 1.99 3.52 -1.26 -5.04 118.95 121.97 3jxf s ARG 286 Ca -0.06 1.08 -0.11 0.00 -0.13 0.00 0.00 55.73 56.51 3jxf s ARG 286 Cb -0.08 -2.64 0.06 0.00 -1.56 0.00 0.00 34.95 30.72 3jxf s ARG 286 CO 0.01 0.23 1.10 -1.21 -0.81 0.00 0.00 175.30 174.62 3jxf s GLU 287 N -2.39 2.23 0.55 5.12 0.41 -1.26 -4.79 118.70 118.56 3jxf s GLU 287 Ca 0.51 1.25 -0.18 0.00 -0.41 0.00 0.00 54.97 56.15 3jxf s GLU 287 Cb -0.15 -1.89 -0.06 0.00 -1.78 0.00 0.00 34.13 30.26 3jxf s GLU 287 CO 0.20 -1.68 1.06 -0.65 -0.49 0.00 0.00 175.26 173.70 3jxf s GLN 288 N -4.73 3.50 0.17 1.61 -0.21 -1.26 -4.49 119.66 114.25 3jxf s GLN 288 Ca 0.63 1.32 0.08 0.00 0.02 0.00 0.00 55.36 57.40 3jxf s GLN 288 Cb -0.18 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.73 3jxf s GLN 288 CO 0.54 -0.68 -0.05 -0.65 -2.12 0.00 0.00 175.29 172.33 3jxf s GLN 289 N -3.66 2.24 0.53 2.91 -1.52 0.23 -4.98 119.66 115.41 3jxf s GLN 289 Ca 0.66 -1.17 -0.22 0.00 -1.95 0.00 0.00 55.36 52.69 3jxf s GLN 289 Cb -0.17 -2.27 -0.05 0.00 -0.22 0.00 0.00 33.01 30.29 3jxf s GLN 289 CO 0.29 0.45 1.28 0.71 -0.25 0.00 0.00 175.29 177.78 3jxf s TYR 290 N -1.69 2.47 0.17 0.91 2.02 -1.26 -4.66 117.35 115.31 3jxf s TYR 290 Ca 0.26 1.44 0.04 0.00 -0.37 0.00 0.00 57.07 58.44 3jxf s TYR 290 Cb -0.09 -3.64 0.01 0.00 -0.40 0.00 0.00 41.96 37.84 3jxf s TYR 290 CO 0.17 -2.40 1.39 0.87 -1.57 0.00 0.00 175.55 174.01 3jxf h LYS 291 N 1.57 0.15 -6.50 -0.62 1.57 -1.93 -3.44 116.57 107.37 3jxf h LYS 291 Ca -0.50 -0.17 -0.50 0.00 -1.87 0.00 0.00 60.65 57.61 3jxf h LYS 291 Cb 1.28 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 3jxf h LYS 291 CO 0.58 0.92 -0.93 1.19 -0.57 0.00 0.00 179.45 180.64 3jxf n PHE 292 N -3.64 -1.68 -0.89 -1.35 3.72 -1.26 -2.02 117.46 110.33 3jxf n PHE 292 Ca -0.03 0.53 0.00 0.00 -0.05 0.00 0.00 57.45 57.90 3jxf n PHE 292 Cb 0.80 -3.43 0.00 0.00 -0.94 0.00 0.00 39.48 35.91 3jxf n PHE 292 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3jxf n SER 293 N -2.74 0.00 -4.77 4.37 7.64 -1.26 -5.00 113.62 111.85 3jxf n SER 293 Ca -0.20 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.29 3jxf n SER 293 Cb 0.63 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 3jxf n SER 293 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3jxf s ARG 294 N -0.03 4.25 -0.01 1.43 0.52 -0.86 -5.04 118.95 119.21 3jxf s ARG 294 Ca 0.00 1.81 -0.06 0.00 -0.52 0.00 0.00 55.73 56.96 3jxf s ARG 294 Cb 0.00 -2.82 -0.05 0.00 0.52 0.00 0.00 34.95 32.60 3jxf s ARG 294 CO 0.00 -0.14 0.24 -0.65 0.02 0.00 0.00 175.30 174.77 3jxf s GLN 295 N -2.06 3.56 -0.19 3.54 -1.52 -1.26 -4.99 119.66 116.73 3jxf s GLN 295 Ca 0.53 -0.09 -0.06 0.00 -1.95 0.00 0.00 55.36 53.79 3jxf s GLN 295 Cb -0.30 -3.10 -0.03 0.00 -0.22 0.00 0.00 33.01 29.35 3jxf s GLN 295 CO 0.39 0.67 0.03 0.08 -0.25 0.00 0.00 175.29 176.21 3jxf s VAL 296 N -1.25 4.36 0.06 1.09 1.01 -1.26 -4.60 120.40 119.80 3jxf s VAL 296 Ca 0.25 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.06 3jxf s VAL 296 Cb -0.13 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3jxf s VAL 296 CO 0.14 0.44 0.17 -0.36 0.00 0.00 0.00 175.10 175.49 3jxf s PHE 297 N 0.71 3.43 -0.03 5.22 0.08 -0.07 -0.89 117.98 126.44 3jxf s PHE 297 Ca 0.02 0.21 0.05 0.00 0.12 0.00 0.00 56.93 57.33 3jxf s PHE 297 Cb -0.14 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 3jxf s PHE 297 CO 0.02 0.58 -0.18 0.45 -0.10 0.00 0.00 175.22 175.99 3jxf s SER 298 N -2.42 2.15 0.89 1.36 0.15 0.26 -0.54 113.70 115.54 3jxf s SER 298 Ca 0.33 -0.34 -0.11 0.00 0.70 0.00 0.00 55.95 56.52 3jxf s SER 298 Cb -0.13 -0.41 0.12 0.00 -1.71 0.00 0.00 66.02 63.89 3jxf s SER 298 CO 0.26 0.19 1.09 -0.94 1.20 0.00 0.00 173.24 175.04 3jxf s SER 299 N -0.21 3.52 -0.20 5.45 1.04 -0.38 -1.38 113.70 121.55 3jxf s SER 299 Ca 0.02 1.58 -0.03 0.00 0.48 0.00 0.00 55.95 58.00 3jxf s SER 299 Cb -0.09 -2.25 -0.01 0.00 0.10 0.00 0.00 66.02 63.77 3jxf s SER 299 CO 0.01 -2.62 -0.07 -0.47 0.98 0.00 0.00 173.24 171.06 3jxf s TYR 300 N -2.89 2.92 0.00 5.02 5.04 -1.26 -4.73 117.35 121.44 3jxf s TYR 300 Ca 0.63 -0.94 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 3jxf s TYR 300 Cb -0.18 -2.04 0.00 0.00 0.35 0.00 0.00 41.96 40.08 3jxf s TYR 300 CO 0.57 -0.50 0.15 0.25 -1.34 0.00 0.00 175.55 174.68