#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upx s ASN 2 N 0.00 7.31 0.39 6.43 0.01 -1.26 -4.96 114.94 122.86 1upx s ASN 2 Ca 0.00 1.56 0.20 0.00 -0.71 0.00 0.00 52.86 53.90 1upx s ASN 2 Cb 0.00 -2.48 0.75 0.00 0.41 0.00 0.00 41.25 39.92 1upx s ASN 2 CO 0.00 0.13 1.76 0.00 -1.51 0.00 0.00 177.10 177.48 1upx h ALA 3 N 4.88 1.03 -2.90 0.60 0.00 -1.81 -3.46 119.26 117.60 1upx h ALA 3 Ca -0.46 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 1upx h ALA 3 Cb 1.21 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1upx h ALA 3 CO 0.68 0.43 0.02 0.00 0.00 0.00 0.00 179.25 180.37 1upx s MET 4 N -3.66 1.63 -0.16 0.00 0.23 -0.97 -4.83 119.30 111.54 1upx s MET 4 Ca -0.00 -1.14 -0.05 0.00 -1.03 0.00 0.00 55.69 53.47 1upx s MET 4 Cb 0.11 0.52 0.08 0.00 -1.53 0.00 0.00 34.83 34.01 1upx s MET 4 CO 0.68 -0.71 0.30 0.12 -2.03 0.00 0.00 175.02 173.39 1upx s PHE 5 N -3.97 -0.53 -0.07 3.16 5.36 -1.24 -4.14 117.98 116.55 1upx s PHE 5 Ca 0.18 1.05 -0.04 0.00 -0.96 0.00 0.00 56.93 57.15 1upx s PHE 5 Cb -0.03 0.03 0.03 0.00 -0.34 0.00 0.00 43.02 42.71 1upx s PHE 5 CO 0.08 -0.43 0.17 0.00 -1.46 0.00 0.00 175.22 173.58 1upx n TYR 7 N 3.87 0.00 0.73 0.00 -0.00 -1.26 -0.58 117.16 119.92 1upx n TYR 7 Ca -0.22 -0.46 0.13 0.00 -0.00 0.00 0.00 57.90 57.35 1upx n TYR 7 Cb 0.54 -0.13 0.41 0.00 -0.00 0.00 0.00 39.34 40.16 1upx n TYR 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1upx n GLN 8 N 0.25 0.19 -4.52 -3.48 10.64 -1.26 -4.44 117.38 114.77 1upx n GLN 8 Ca 0.06 0.13 -0.27 0.00 -1.83 0.00 0.00 57.00 55.09 1upx n GLN 8 Cb 1.01 -1.70 -0.10 0.00 -0.86 0.00 0.00 30.24 28.59 1upx n GLN 8 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1upx h GLN 10 N 1.81 0.00 -0.32 0.00 -0.00 -1.40 -2.84 115.11 112.36 1upx h GLN 10 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 1upx h GLN 10 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.73 1upx h GLN 10 CO 0.75 0.16 0.00 0.39 0.00 0.00 0.00 178.83 180.14 1upx n GLU 11 N -3.99 1.79 -1.67 1.69 1.02 -1.26 -4.88 120.64 113.34 1upx n GLU 11 Ca -0.02 -1.22 -0.41 0.00 -0.02 0.00 0.00 57.16 55.49 1upx n GLU 11 Cb 0.25 -1.28 0.01 0.00 -0.02 0.00 0.00 31.44 30.40 1upx n GLU 11 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1upx n THR 12 N 0.49 2.56 -1.67 2.62 5.66 -1.07 -4.77 114.28 118.08 1upx n THR 12 Ca 0.12 -0.50 -0.46 0.00 -3.05 0.00 0.00 64.05 60.16 1upx n THR 12 Cb 0.30 -1.42 -0.04 0.00 -1.55 0.00 0.00 70.33 67.61 1upx n THR 12 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1upx n VAL 13 N -0.32 0.11 -1.10 1.08 0.31 -1.26 -1.31 118.33 115.83 1upx n VAL 13 Ca 0.08 -0.02 -0.04 0.00 -0.01 0.00 0.00 64.34 64.35 1upx n VAL 13 Cb 0.39 -1.62 -0.02 0.00 -0.91 0.00 0.00 33.84 31.69 1upx n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1upx n GLY 14 N 3.61 0.47 4.08 2.92 0.00 -1.26 -1.03 105.19 113.98 1upx n GLY 14 Ca 0.18 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1upx n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1upx n ASN 15 N -0.67 -3.99 0.00 1.61 5.15 -0.43 -4.85 115.26 112.08 1upx n ASN 15 Ca -0.04 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 53.05 1upx n ASN 15 Cb 0.40 -3.23 0.00 0.00 -0.53 0.00 0.00 39.78 36.42 1upx n ASN 15 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1upx n LYS 16 N -4.49 0.00 0.00 1.20 5.02 -0.20 -4.53 118.16 115.16 1upx n LYS 16 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1upx n LYS 16 Cb 0.50 -0.34 0.00 0.00 -0.02 0.00 0.00 35.03 35.17 1upx n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1upx n GLY 17 N 2.18 3.74 3.64 0.72 0.00 -0.60 -4.84 105.19 110.03 1upx n GLY 17 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1upx n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upx n THR 19 N 5.43 0.00 0.05 0.00 -2.24 -1.26 -1.85 114.28 114.41 1upx n THR 19 Ca 0.07 -0.38 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1upx n THR 19 Cb 0.47 0.95 -0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1upx n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upx n GLN 20 N -1.14 0.00 -3.90 -0.78 6.02 -1.26 -2.28 117.38 114.04 1upx n GLN 20 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.89 1upx n GLN 20 Cb 0.06 -0.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.70 1upx n GLN 20 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1upx s VAL 21 N -2.00 0.07 0.42 5.09 -7.23 -1.26 -4.25 120.40 111.23 1upx s VAL 21 Ca -0.00 -0.54 -0.25 0.00 -1.81 0.00 0.00 61.98 59.38 1upx s VAL 21 Cb 0.00 -0.26 -0.08 0.00 0.56 0.00 0.00 36.38 36.60 1upx s VAL 21 CO 0.00 -0.30 1.24 -0.83 -0.31 0.00 0.00 175.10 174.90 1upx s GLY 22 N -0.93 2.88 0.49 2.32 0.00 0.13 -4.90 107.32 107.31 1upx s GLY 22 Ca -0.10 1.10 0.19 0.00 0.00 0.00 0.00 44.72 45.91 1upx s GLY 22 CO 0.00 1.64 2.02 -2.08 0.00 0.00 0.00 173.10 174.68 1upx h VAL 23 N 2.28 0.85 0.00 1.40 2.07 -1.89 -0.13 116.25 120.83 1upx h VAL 23 Ca -0.49 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1upx h VAL 23 Cb 1.25 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1upx h VAL 23 CO 0.62 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.24 1upx n GLY 25 N 0.54 0.55 3.67 0.00 0.00 -0.06 -4.49 105.19 105.40 1upx n GLY 25 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1upx n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1upx s LYS 26 N -0.69 4.18 0.52 1.61 2.20 -1.25 -4.72 119.74 121.59 1upx s LYS 26 Ca 0.00 2.29 -0.13 0.00 -0.36 0.00 0.00 55.97 57.77 1upx s LYS 26 Cb 0.00 -3.92 -0.06 0.00 -1.51 0.00 0.00 37.83 32.33 1upx s LYS 26 CO 0.00 -0.83 0.95 0.15 -0.36 0.00 0.00 175.35 175.26 1upx s LYS 27 N 3.77 3.80 0.33 4.03 1.02 -1.26 -0.70 119.74 130.73 1upx s LYS 27 Ca 0.76 0.78 0.03 0.00 0.02 0.00 0.00 55.97 57.55 1upx s LYS 27 Cb -0.36 -2.18 0.62 0.00 -0.52 0.00 0.00 37.83 35.39 1upx s LYS 27 CO 0.32 -0.31 1.95 -1.00 -0.92 0.00 0.00 175.35 175.39 1upx h PRO 28 N 0.59 0.88 -0.15 -1.68 0.13 -1.89 -0.34 132.00 129.54 1upx h PRO 28 Ca -0.46 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.48 1upx h PRO 28 Cb 1.19 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1upx h PRO 28 CO 0.62 0.58 -0.48 0.93 -0.23 0.00 0.00 178.00 179.43 1upx h GLU 29 N 0.91 0.39 -0.33 0.86 5.08 -1.94 -0.24 114.58 119.31 1upx h GLU 29 Ca 0.33 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1upx h GLU 29 Cb 0.15 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1upx h GLU 29 CO -0.11 0.78 0.15 1.15 -1.00 0.00 0.00 179.01 179.99 1upx h THR 30 N 0.31 1.16 -0.98 1.13 2.02 -1.71 -0.85 112.91 114.00 1upx h THR 30 Ca 0.02 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.76 1upx h THR 30 Cb 0.96 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 1upx h THR 30 CO 0.08 0.17 0.64 0.00 0.37 0.00 0.00 175.52 176.79 1upx h ALA 31 N 1.00 1.36 -0.32 6.16 0.00 -0.87 -1.19 119.26 125.41 1upx h ALA 31 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1upx h ALA 31 Cb 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1upx h ALA 31 CO -0.01 0.54 0.01 0.00 0.00 0.00 0.00 179.25 179.78 1upx h ALA 32 N 1.43 0.42 -0.59 0.00 0.00 -0.70 -0.73 119.26 119.09 1upx h ALA 32 Ca 0.39 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1upx h ALA 32 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1upx h ALA 32 CO -0.12 0.17 0.17 -0.07 0.00 0.00 0.00 179.25 179.40 1upx h LEU 33 N 0.35 0.84 -0.70 0.00 3.38 -0.79 0.00 115.31 118.39 1upx h LEU 33 Ca 0.09 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1upx h LEU 33 Cb 0.43 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1upx h LEU 33 CO 0.01 0.79 0.04 1.56 0.09 0.00 0.00 178.44 180.94 1upx h GLN 34 N 0.87 1.04 -0.56 1.13 4.20 -1.01 0.43 115.11 121.22 1upx h GLN 34 Ca 0.19 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1upx h GLN 34 Cb 0.27 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1upx h GLN 34 CO -0.01 0.99 0.26 -0.44 -0.67 0.00 0.00 178.83 178.97 1upx h ASP 35 N 0.97 0.74 -0.69 1.46 3.32 -0.41 -0.56 116.42 121.25 1upx h ASP 35 Ca 0.18 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1upx h ASP 35 Cb 0.50 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1upx h ASP 35 CO 0.02 0.67 0.20 0.00 -1.72 0.00 0.00 179.24 178.41 1upx h ALA 36 N 1.10 0.90 -0.51 3.45 0.00 -0.79 -1.78 119.26 121.63 1upx h ALA 36 Ca 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1upx h ALA 36 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1upx h ALA 36 CO -0.02 0.59 0.18 1.25 0.00 0.00 0.00 179.25 181.24 1upx h LEU 37 N 1.01 0.72 -0.68 0.00 5.85 -0.50 -1.57 115.31 120.15 1upx h LEU 37 Ca 0.22 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1upx h LEU 37 Cb 0.32 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1upx h LEU 37 CO -0.00 0.72 0.23 0.40 -0.34 0.00 0.00 178.44 179.45 1upx h ILE 38 N 0.69 1.25 0.22 4.05 1.08 -0.99 -0.98 117.51 122.83 1upx h ILE 38 Ca 0.17 -0.85 -0.00 0.00 -0.39 0.00 0.00 64.86 63.79 1upx h ILE 38 Cb 0.25 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 1upx h ILE 38 CO -0.01 0.33 -0.16 0.22 -0.69 0.00 0.00 178.15 177.85 1upx h TYR 39 N 0.99 -0.41 0.00 1.37 3.20 -0.94 -0.80 116.97 120.37 1upx h TYR 39 Ca 0.22 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 1upx h TYR 39 Cb 0.28 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1upx h TYR 39 CO 0.02 -0.24 -0.27 -0.39 -1.64 0.00 0.00 178.16 175.64 1upx h VAL 40 N -0.38 0.67 -0.52 1.81 -1.51 -1.22 -1.89 116.25 113.21 1upx h VAL 40 Ca -0.01 -1.20 -0.11 0.00 -1.23 0.00 0.00 66.70 64.14 1upx h VAL 40 Cb 0.33 1.78 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 1upx h VAL 40 CO 0.00 0.26 -0.10 0.74 -1.23 0.00 0.00 177.57 177.25 1upx h THR 41 N 0.00 1.27 -0.73 7.19 2.02 -0.76 0.03 112.91 121.92 1upx h THR 41 Ca -0.00 -1.24 -0.03 0.00 0.77 0.00 0.00 66.41 65.90 1upx h THR 41 Cb 0.76 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1upx h THR 41 CO 0.03 0.44 0.33 0.11 0.37 0.00 0.00 175.52 176.80 1upx h LYS 42 N 0.85 1.06 -0.42 6.66 1.57 -0.78 -0.23 116.57 125.27 1upx h LYS 42 Ca 0.14 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1upx h LYS 42 Cb 0.66 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1upx h LYS 42 CO 0.05 0.83 0.18 0.78 -0.57 0.00 0.00 179.45 180.72 1upx h GLY 43 N 1.10 0.67 0.89 3.86 0.00 -1.02 -1.43 103.07 107.14 1upx h GLY 43 Ca 0.25 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1upx h GLY 43 CO -0.03 0.33 0.54 -2.00 0.00 0.00 0.00 176.54 175.38 1upx h LEU 44 N 0.54 0.89 -0.98 3.11 5.85 -0.73 -2.08 115.31 121.92 1upx h LEU 44 Ca 0.14 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1upx h LEU 44 Cb 0.16 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1upx h LEU 44 CO -0.01 0.62 0.65 1.23 -0.34 0.00 0.00 178.44 180.58 1upx h GLY 45 N 1.05 1.39 0.92 3.75 0.00 -0.60 -0.36 103.07 109.22 1upx h GLY 45 Ca 0.33 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1upx h GLY 45 CO -0.11 0.49 0.12 -1.61 0.00 0.00 0.00 176.54 175.43 1upx h GLN 46 N 1.32 0.46 -0.36 4.80 4.15 -0.72 -0.85 115.11 123.91 1upx h GLN 46 Ca 0.37 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.67 1upx h GLN 46 Cb -0.13 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 1upx h GLN 46 CO -0.09 0.48 0.12 0.82 -1.93 0.00 0.00 178.83 178.23 1upx h ILE 47 N 0.35 1.20 -0.85 2.39 2.04 -0.93 -0.83 117.51 120.88 1upx h ILE 47 Ca 0.10 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1upx h ILE 47 Cb 0.19 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1upx h ILE 47 CO -0.01 0.23 0.43 0.00 0.00 0.00 0.00 178.15 178.80 1upx h ALA 48 N 0.96 1.09 -0.71 1.87 0.00 -1.02 -0.57 119.26 120.89 1upx h ALA 48 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1upx h ALA 48 Cb 0.23 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1upx h ALA 48 CO -0.01 0.64 0.36 1.15 0.00 0.00 0.00 179.25 181.39 1upx h THR 49 N 1.20 1.23 -0.50 0.00 2.02 -0.83 -1.11 112.91 114.91 1upx h THR 49 Ca 0.29 -0.62 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 1upx h THR 49 Cb 0.09 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1upx h THR 49 CO -0.04 0.26 -0.10 0.03 0.37 0.00 0.00 175.52 176.04 1upx h ARG 50 N 0.98 0.92 -0.49 6.66 2.47 -0.69 -1.53 114.38 122.70 1upx h ARG 50 Ca 0.25 -0.32 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1upx h ARG 50 Cb 0.09 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 1upx h ARG 50 CO -0.03 0.97 0.25 -0.07 0.56 0.00 0.00 179.97 181.64 1upx h LEU 51 N 0.83 0.63 -0.90 3.04 3.38 -0.78 -1.20 115.31 120.31 1upx h LEU 51 Ca 0.14 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1upx h LEU 51 Cb 0.63 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1upx h LEU 51 CO 0.04 0.56 0.59 0.03 0.09 0.00 0.00 178.44 179.76 1upx h ARG 52 N 0.64 1.17 0.00 1.13 3.08 -0.92 -0.29 114.38 119.20 1upx h ARG 52 Ca 0.17 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1upx h ARG 52 Cb 0.09 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1upx h ARG 52 CO -0.02 0.77 -0.25 0.00 -1.07 0.00 0.00 179.97 179.39 1upx h ALA 53 N 1.33 1.30 -0.00 0.04 0.00 -0.89 -1.36 119.26 119.68 1upx h ALA 53 Ca 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1upx h ALA 53 Cb -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1upx h ALA 53 CO -0.08 0.32 -0.06 0.39 0.00 0.00 0.00 179.25 179.82 1upx n GLU 54 N -3.83 0.58 -0.97 0.00 1.02 -0.49 -4.92 120.64 112.04 1upx n GLU 54 Ca -0.02 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1upx n GLU 54 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1upx n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1upx n GLY 55 N 1.27 0.52 3.84 0.62 0.00 -0.51 -5.06 105.19 105.87 1upx n GLY 55 Ca 0.15 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 1upx n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upx s LYS 56 N -1.96 3.31 0.42 1.61 1.02 -0.19 -5.01 119.74 118.93 1upx s LYS 56 Ca 0.00 -0.29 -0.25 0.00 0.02 0.00 0.00 55.97 55.45 1upx s LYS 56 Cb 0.00 -3.05 -0.08 0.00 -0.52 0.00 0.00 37.83 34.18 1upx s LYS 56 CO 0.00 0.71 1.19 0.00 -0.92 0.00 0.00 175.35 176.34 1upx s ALA 57 N -1.13 3.10 -0.19 5.17 0.00 -1.26 -3.83 121.76 123.62 1upx s ALA 57 Ca 0.20 1.01 0.01 0.00 0.00 0.00 0.00 51.96 53.18 1upx s ALA 57 Cb -0.12 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.63 1upx s ALA 57 CO 0.10 -0.64 -0.14 0.08 0.00 0.00 0.00 175.76 175.16 1upx s VAL 58 N -1.43 1.82 0.56 0.00 1.01 -1.26 -4.95 120.40 116.16 1upx s VAL 58 Ca 0.59 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 1upx s VAL 58 Cb -0.31 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1upx s VAL 58 CO 0.39 0.31 1.15 -0.62 0.00 0.00 0.00 175.10 176.34 1upx s ASP 59 N 1.34 5.55 0.61 3.32 -1.08 -1.26 -4.90 116.67 120.24 1upx s ASP 59 Ca 0.01 2.25 0.37 0.00 -0.52 0.00 0.00 52.55 54.65 1upx s ASP 59 Cb -0.15 -2.59 1.98 0.00 -1.46 0.00 0.00 42.92 40.70 1upx s ASP 59 CO -0.10 -1.34 2.24 -0.74 0.52 0.00 0.00 175.17 175.75 1upx h HIS 60 N 1.09 0.00 -0.51 -5.34 -0.00 -2.00 -1.17 115.15 107.23 1upx h HIS 60 Ca -0.50 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 59.93 1upx h HIS 60 Cb 1.27 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.65 1upx h HIS 60 CO 0.50 0.02 0.34 0.07 -0.00 0.00 0.00 177.93 178.86 1upx h ARG 61 N 0.00 0.42 -0.40 5.26 0.11 -1.99 -1.46 114.38 116.32 1upx h ARG 61 Ca -0.00 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 59.99 1upx h ARG 61 Cb 0.14 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 1upx h ARG 61 CO 0.00 0.28 -0.01 0.82 0.10 0.00 0.00 179.97 181.16 1upx h ILE 62 N 0.44 1.26 -0.83 0.08 1.08 -1.57 -1.70 117.51 116.28 1upx h ILE 62 Ca 0.22 -1.04 0.08 0.00 -0.39 0.00 0.00 64.86 63.73 1upx h ILE 62 Cb 0.32 1.14 -0.07 0.00 -3.07 0.00 0.00 36.82 35.14 1upx h ILE 62 CO -0.06 0.35 0.49 0.44 -0.69 0.00 0.00 178.15 178.69 1upx h ASP 63 N 0.54 0.75 -0.00 1.72 3.32 -1.39 -1.42 116.42 119.93 1upx h ASP 63 Ca 0.11 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.05 1upx h ASP 63 Cb 0.50 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1upx h ASP 63 CO 0.02 0.46 -0.45 0.03 -1.72 0.00 0.00 179.24 177.58 1upx h ARG 64 N 0.87 0.54 -0.30 3.56 3.08 -1.14 -1.05 114.38 119.95 1upx h ARG 64 Ca 0.38 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1upx h ARG 64 Cb 0.26 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1upx h ARG 64 CO -0.21 0.88 0.14 1.25 -1.07 0.00 0.00 179.97 180.97 1upx h LEU 65 N 0.44 0.39 -0.17 3.04 5.85 -0.86 -0.79 115.31 123.22 1upx h LEU 65 Ca 0.03 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1upx h LEU 65 Cb 0.96 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1upx h LEU 65 CO 0.09 0.40 0.07 0.58 -0.34 0.00 0.00 178.44 179.24 1upx h VAL 66 N 0.35 1.15 -0.40 1.05 2.07 -1.04 -0.33 116.25 119.09 1upx h VAL 66 Ca 0.10 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 1upx h VAL 66 Cb 0.12 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1upx h VAL 66 CO -0.01 0.14 -0.29 0.71 0.02 0.00 0.00 177.57 178.14 1upx h THR 67 N 0.12 1.27 -0.81 2.57 1.35 -1.16 -1.68 112.91 114.59 1upx h THR 67 Ca 0.06 -1.44 -0.04 0.00 -0.55 0.00 0.00 66.41 64.43 1upx h THR 67 Cb 0.15 1.27 -0.04 0.00 -1.73 0.00 0.00 68.15 67.81 1upx h THR 67 CO -0.01 0.48 0.33 1.23 -0.25 0.00 0.00 175.52 177.31 1upx h GLY 68 N 0.91 1.28 0.91 5.82 0.00 -1.04 -1.31 103.07 109.64 1upx h GLY 68 Ca 0.08 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1upx h GLY 68 CO 0.07 0.65 0.10 3.43 0.00 0.00 0.00 176.54 180.79 1upx h ASN 69 N 1.17 0.31 -0.36 0.19 2.35 -0.72 -0.89 115.58 117.62 1upx h ASN 69 Ca 0.27 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1upx h ASN 69 Cb 0.20 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1upx h ASN 69 CO -0.02 0.37 0.14 -0.07 -1.65 0.00 0.00 177.43 176.20 1upx h LEU 70 N 0.23 0.50 -0.97 1.61 3.38 -1.20 -2.86 115.31 116.00 1upx h LEU 70 Ca 0.08 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1upx h LEU 70 Cb 0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1upx h LEU 70 CO -0.01 0.53 0.12 0.15 0.09 0.00 0.00 178.44 179.32 1upx h PHE 71 N 0.44 0.90 0.00 1.13 -0.00 -1.14 -1.76 116.94 116.52 1upx h PHE 71 Ca 0.12 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.97 57.99 1upx h PHE 71 Cb 0.18 -0.26 -0.00 0.00 -0.00 0.00 0.00 35.95 35.87 1upx h PHE 71 CO -0.00 0.76 -0.02 0.00 -0.00 0.00 0.00 178.31 179.05 1upx h ALA 72 N 1.29 1.19 -0.28 2.41 0.00 -0.93 -1.78 119.26 121.16 1upx h ALA 72 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1upx h ALA 72 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1upx h ALA 72 CO 0.00 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.52 1upx n THR 73 N -3.38 0.35 -2.17 0.00 -2.24 -0.67 -3.62 114.28 102.55 1upx n THR 73 Ca -0.03 -0.67 -0.36 0.00 -2.27 0.00 0.00 64.05 60.73 1upx n THR 73 Cb 0.12 1.12 0.01 0.00 -2.10 0.00 0.00 70.33 69.48 1upx n THR 73 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1upx s ILE 74 N -1.65 2.96 0.17 2.28 1.01 -0.67 -4.93 121.20 120.37 1upx s ILE 74 Ca 0.36 0.61 -0.33 0.00 0.00 0.00 0.00 60.65 61.28 1upx s ILE 74 Cb 0.22 -3.25 -0.15 0.00 0.01 0.00 0.00 42.46 39.29 1upx s ILE 74 CO 0.31 -0.12 1.41 0.41 0.00 0.00 0.00 174.94 176.96 1upx n THR 75 N -1.31 0.46 -2.11 2.92 -1.04 -1.26 -1.92 114.28 110.00 1upx n THR 75 Ca 0.12 -0.11 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1upx n THR 75 Cb 0.50 -1.27 -0.02 0.00 -1.82 0.00 0.00 70.33 67.72 1upx n THR 75 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1upx n ASN 76 N 2.61 -4.88 -0.11 8.00 5.03 -1.26 -4.79 115.26 119.86 1upx n ASN 76 Ca 0.15 0.08 -0.18 0.00 0.87 0.00 0.00 54.58 55.50 1upx n ASN 76 Cb 0.27 -3.95 -0.06 0.00 -1.02 0.00 0.00 39.78 35.02 1upx n ASN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1upx n ALA 77 N -1.07 0.97 -3.61 5.41 0.00 -0.81 -0.74 120.51 120.66 1upx n ALA 77 Ca -0.19 -0.89 -0.15 0.00 0.00 0.00 0.00 53.44 52.21 1upx n ALA 77 Cb 0.62 0.03 -0.14 0.00 0.00 0.00 0.00 19.45 19.97 1upx n ALA 77 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1upx s ASN 78 N -6.62 0.69 0.00 0.00 3.04 -1.24 -1.88 114.94 108.94 1upx s ASN 78 Ca -0.32 0.32 0.12 0.00 0.04 0.00 0.00 52.86 53.02 1upx s ASN 78 Cb 0.09 0.54 0.34 0.00 -1.54 0.00 0.00 41.25 40.67 1upx s ASN 78 CO 0.45 -0.26 1.28 0.49 -3.04 0.00 0.00 177.10 176.01 1upx n PHE 79 N 5.34 0.51 -3.17 0.43 3.01 -0.22 -4.91 117.46 118.44 1upx n PHE 79 Ca -0.06 -0.49 -0.44 0.00 1.01 0.00 0.00 57.45 57.48 1upx n PHE 79 Cb 0.50 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 39.88 1upx n PHE 79 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1upx s ASP 80 N -1.00 6.20 0.29 4.37 -1.08 -1.25 -4.54 116.67 119.67 1upx s ASP 80 Ca 0.26 -1.10 -0.01 0.00 -0.52 0.00 0.00 52.55 51.18 1upx s ASP 80 Cb 0.14 -2.28 0.44 0.00 -1.46 0.00 0.00 42.92 39.76 1upx s ASP 80 CO 0.18 -0.92 1.88 0.44 0.52 0.00 0.00 175.17 177.27 1upx h ASP 81 N 9.01 0.80 -0.67 -0.34 3.32 -1.97 -1.37 116.42 125.21 1upx h ASP 81 Ca -0.28 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 1upx h ASP 81 Cb 1.09 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 1upx h ASP 81 CO 0.99 0.71 0.41 0.44 -1.72 0.00 0.00 179.24 180.07 1upx h ASP 82 N 0.87 0.79 -0.39 6.45 5.19 -1.99 0.33 116.42 127.67 1upx h ASP 82 Ca 0.21 -0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.48 1upx h ASP 82 Cb 0.16 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1upx h ASP 82 CO -0.02 0.61 -0.11 0.40 -3.12 0.00 0.00 179.24 177.00 1upx h ILE 83 N 0.91 1.28 -0.38 0.35 1.08 -1.84 -1.90 117.51 117.00 1upx h ILE 83 Ca 0.24 -1.20 -0.05 0.00 -0.39 0.00 0.00 64.86 63.46 1upx h ILE 83 Cb -0.05 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1upx h ILE 83 CO -0.05 0.40 0.02 -0.07 -0.69 0.00 0.00 178.15 177.77 1upx h LEU 84 N 0.57 0.64 -1.01 1.44 3.38 -1.02 -0.75 115.31 118.56 1upx h LEU 84 Ca 0.10 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1upx h LEU 84 Cb 0.63 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1upx h LEU 84 CO 0.04 0.77 0.43 0.00 0.09 0.00 0.00 178.44 179.77 1upx h ALA 85 N 0.89 1.24 -0.30 1.53 0.00 -0.90 -1.48 119.26 120.23 1upx h ALA 85 Ca 0.11 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1upx h ALA 85 Cb 0.43 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1upx h ALA 85 CO 0.01 0.61 -0.28 1.49 0.00 0.00 0.00 179.25 181.09 1upx h GLU 86 N 1.13 0.61 -0.42 0.00 4.57 -0.98 -1.77 114.58 117.72 1upx h GLU 86 Ca 0.28 -0.25 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1upx h GLU 86 Cb 0.04 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1upx h GLU 86 CO -0.04 0.82 0.04 0.00 -1.18 0.00 0.00 179.01 178.64 1upx h ARG 87 N 0.53 0.65 -0.44 1.92 3.08 -0.54 -0.06 114.38 119.51 1upx h ARG 87 Ca 0.07 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1upx h ARG 87 Cb 0.75 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1upx h ARG 87 CO 0.06 0.64 0.26 0.28 -1.07 0.00 0.00 179.97 180.14 1upx h VAL 88 N 0.62 1.14 -0.45 2.04 2.07 -0.80 -0.92 116.25 119.96 1upx h VAL 88 Ca 0.13 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1upx h VAL 88 Cb 0.34 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1upx h VAL 88 CO 0.01 0.14 0.19 0.03 0.02 0.00 0.00 177.57 177.96 1upx h ARG 89 N 0.58 0.66 -0.89 1.57 3.08 -0.77 -0.63 114.38 117.98 1upx h ARG 89 Ca 0.16 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1upx h ARG 89 Cb 0.00 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1upx h ARG 89 CO -0.03 0.59 0.55 0.52 -1.07 0.00 0.00 179.97 180.53 1upx h MET 90 N 0.58 1.19 -0.22 0.04 2.86 -0.88 -0.66 114.93 117.85 1upx h MET 90 Ca 0.15 -0.09 -0.17 0.00 -2.06 0.00 0.00 59.70 57.53 1upx h MET 90 Cb 0.16 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1upx h MET 90 CO -0.02 0.82 -0.53 1.15 1.06 0.00 0.00 176.91 179.39 1upx h THR 91 N 1.21 1.30 -0.74 2.22 2.02 -0.83 -1.00 112.91 117.10 1upx h THR 91 Ca 0.32 -1.74 0.01 0.00 0.77 0.00 0.00 66.41 65.76 1upx h THR 91 Cb -0.08 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1upx h THR 91 CO -0.06 0.55 0.48 0.00 0.37 0.00 0.00 175.52 176.86 1upx h ALA 93 N 1.27 0.54 -0.53 0.00 0.00 -1.01 -1.43 119.26 118.11 1upx h ALA 93 Ca 0.27 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1upx h ALA 93 Cb -0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1upx h ALA 93 CO -0.06 0.20 0.03 0.00 0.00 0.00 0.00 179.25 179.42 1upx h ALA 94 N 0.97 0.71 0.00 0.00 0.00 -0.93 -2.21 119.26 117.79 1upx h ALA 94 Ca 0.13 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1upx h ALA 94 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1upx h ALA 94 CO -0.00 0.50 -0.68 1.57 0.00 0.00 0.00 179.25 180.64 1upx h LYS 95 N 0.79 0.00 -0.41 0.00 2.10 -1.04 -1.41 116.57 116.59 1upx h LYS 95 Ca 0.15 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.77 1upx h LYS 95 Cb 0.49 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.80 1upx h LYS 95 CO 0.02 0.68 0.13 -0.22 -2.00 0.00 0.00 179.45 178.06 1upx h LYS 96 N 0.00 0.64 -0.55 0.07 3.64 -1.12 -0.03 116.57 119.21 1upx h LYS 96 Ca -0.01 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1upx h LYS 96 Cb 1.36 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1upx h LYS 96 CO 0.09 0.64 0.22 0.93 -2.27 0.00 0.00 179.45 179.05 1upx h GLU 97 N 0.53 0.83 -0.57 1.90 5.08 -1.27 -2.36 114.58 118.72 1upx h GLU 97 Ca 0.13 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1upx h GLU 97 Cb 0.26 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1upx h GLU 97 CO -0.00 0.73 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.61 1upx h LEU 98 N 0.76 1.04 -1.49 1.33 3.38 -1.11 -2.79 115.31 116.43 1upx h LEU 98 Ca 0.18 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1upx h LEU 98 Cb 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1upx h LEU 98 CO -0.01 1.12 -0.13 0.00 0.09 0.00 0.00 178.44 179.51 1upx h ALA 99 N 0.95 1.58 0.00 1.53 0.00 -0.89 -1.64 119.26 120.80 1upx h ALA 99 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1upx h ALA 99 Cb 0.62 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1upx h ALA 99 CO 0.04 0.30 -0.13 0.00 0.00 0.00 0.00 179.25 179.47 1upx h ALA 100 N 1.71 1.56 -0.00 0.00 0.00 -1.14 -2.17 119.26 119.23 1upx h ALA 100 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1upx h ALA 100 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1upx h ALA 100 CO 0.02 0.16 -0.23 0.43 0.00 0.00 0.00 179.25 179.63 1upx n SER 101 N -4.06 0.23 -4.76 0.00 7.64 -0.62 -4.85 113.62 107.20 1upx n SER 101 Ca -0.02 0.15 -0.40 0.00 1.01 0.00 0.00 58.87 59.60 1upx n SER 101 Cb 0.21 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1upx n SER 101 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1upx s LEU 102 N -3.00 4.50 -0.07 -3.43 1.43 -0.82 -4.95 118.68 112.35 1upx s LEU 102 Ca 0.13 2.44 -0.25 0.00 -1.03 0.00 0.00 54.13 55.42 1upx s LEU 102 Cb 0.18 -3.64 -0.24 0.00 0.03 0.00 0.00 46.19 42.53 1upx s LEU 102 CO 0.61 -0.30 0.99 0.74 0.23 0.00 0.00 176.35 178.62 1upx h THR 103 N 3.07 1.58 -3.55 5.49 2.02 -1.88 -3.44 112.91 116.20 1upx h THR 103 Ca -0.48 -1.98 -0.67 0.00 0.77 0.00 0.00 66.41 64.05 1upx h THR 103 Cb 1.22 2.86 -0.27 0.00 -1.74 0.00 0.00 68.15 70.22 1upx h THR 103 CO 0.66 0.54 -0.66 -0.62 0.37 0.00 0.00 175.52 175.81 1upx s ASP 104 N -6.27 4.84 0.00 4.18 2.15 -1.26 -4.97 116.67 115.33 1upx s ASP 104 Ca -0.16 -0.59 0.24 0.00 0.43 0.00 0.00 52.55 52.47 1upx s ASP 104 Cb 0.00 -1.83 0.42 0.00 -0.30 0.00 0.00 42.92 41.22 1upx s ASP 104 CO 0.73 -0.12 1.39 0.29 -0.17 0.00 0.00 175.17 177.29 1upx n LYS 105 N 4.83 2.31 -1.85 4.34 5.02 -1.26 -4.99 118.16 126.56 1upx n LYS 105 Ca -0.16 -1.94 -0.40 0.00 -2.02 0.00 0.00 58.31 53.79 1upx n LYS 105 Cb 0.49 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 34.03 1upx n LYS 105 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1upx s SER 106 N -1.71 5.88 0.00 4.39 0.01 -1.26 -3.12 113.70 117.89 1upx s SER 106 Ca 0.34 2.85 0.00 0.00 1.31 0.00 0.00 55.95 60.45 1upx s SER 106 Cb 0.21 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1upx s SER 106 CO 0.31 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1upx n GLY 107 N 0.61 0.60 3.75 3.44 0.00 -1.26 -5.00 105.19 107.33 1upx n GLY 107 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1upx n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upx s LEU 108 N 0.00 4.42 0.85 0.99 1.43 -1.18 -5.00 118.68 120.19 1upx s LEU 108 Ca 0.00 2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 55.51 1upx s LEU 108 Cb 0.00 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.70 1upx s LEU 108 CO 0.00 -0.55 1.09 -0.94 0.23 0.00 0.00 176.35 176.18 1upx s SER 109 N 0.10 3.94 0.32 2.29 1.04 -1.26 -4.87 113.70 115.27 1upx s SER 109 Ca 0.55 1.41 0.03 0.00 0.48 0.00 0.00 55.95 58.42 1upx s SER 109 Cb -0.38 -2.11 0.63 0.00 0.10 0.00 0.00 66.02 64.26 1upx s SER 109 CO 0.43 -2.33 1.89 -0.78 0.98 0.00 0.00 173.24 173.42 1upx h ASP 110 N -1.34 0.83 -0.90 7.02 1.82 -1.98 -1.63 116.42 120.23 1upx h ASP 110 Ca -0.48 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.19 1upx h ASP 110 Cb 1.28 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 41.09 1upx h ASP 110 CO 0.57 0.49 0.60 0.00 -1.61 0.00 0.00 179.24 179.28 1upx h ALA 111 N 1.55 1.36 -0.24 -0.78 0.00 -1.92 0.39 119.26 119.62 1upx h ALA 111 Ca 0.42 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1upx h ALA 111 Cb 0.40 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1upx h ALA 111 CO -0.18 0.60 -0.28 0.00 0.00 0.00 0.00 179.25 179.38 1upx h ALA 112 N 1.44 1.08 0.00 0.00 0.00 -1.53 -3.33 119.26 116.91 1upx h ALA 112 Ca 0.33 -0.36 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 1upx h ALA 112 Cb -0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 1upx h ALA 112 CO -0.07 0.57 -2.07 1.28 0.00 0.00 0.00 179.25 178.96 1upx n LEU 113 N -4.10 0.42 -4.76 0.00 4.77 -0.82 -4.81 117.00 107.70 1upx n LEU 113 Ca -0.01 0.20 -0.40 0.00 -0.03 0.00 0.00 56.01 55.77 1upx n LEU 113 Cb 0.42 0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 1upx n LEU 113 CO 0.42 0.45 0.87 0.86 -1.33 0.00 0.00 177.39 178.66 1upx s TRP 114 N -2.54 3.32 0.04 -1.77 -0.00 0.13 -5.04 118.94 113.09 1upx s TRP 114 Ca -0.08 1.57 -0.07 0.00 -0.00 0.00 0.00 56.10 57.53 1upx s TRP 114 Cb 0.07 -3.46 -0.01 0.00 -0.00 0.00 0.00 33.47 30.08 1upx s TRP 114 CO 0.83 -1.15 0.14 -1.83 -0.00 0.00 0.00 176.95 174.94 1upx s GLU 115 N -1.66 0.65 -0.04 5.86 -1.05 -1.26 -4.95 118.70 116.26 1upx s GLU 115 Ca 0.47 -0.75 -0.16 0.00 -0.15 0.00 0.00 54.97 54.38 1upx s GLU 115 Cb -0.35 0.26 0.03 0.00 -0.44 0.00 0.00 34.13 33.63 1upx s GLU 115 CO 0.46 -0.18 0.36 0.00 0.95 0.00 0.00 175.26 176.85 1upx s ALA 116 N -2.78 -0.91 -0.11 -0.84 0.00 -1.26 -5.04 121.76 110.82 1upx s ALA 116 Ca -0.03 0.55 0.15 0.00 0.00 0.00 0.00 51.96 52.62 1upx s ALA 116 Cb -0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 23.12 22.85 1upx s ALA 116 CO -0.05 -0.26 0.16 -1.13 0.00 0.00 0.00 175.76 174.48 1upx n SER 117 N 1.50 1.11 -4.74 0.00 3.41 -1.26 -4.65 113.62 109.00 1upx n SER 117 Ca -0.20 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.02 1upx n SER 117 Cb 0.56 1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 65.65 1upx n SER 117 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1upx s GLU 118 N -2.65 4.37 0.27 4.33 0.41 -1.26 -4.96 118.70 119.20 1upx s GLU 118 Ca -0.07 0.74 -0.00 0.00 -0.41 0.00 0.00 54.97 55.22 1upx s GLU 118 Cb 0.07 -3.40 0.53 0.00 -1.78 0.00 0.00 34.13 29.56 1upx s GLU 118 CO 0.67 0.23 1.80 -0.22 -0.49 0.00 0.00 175.26 177.24 1upx h LYS 119 N 6.21 0.79 -0.86 1.61 3.64 -1.96 -1.71 116.57 124.29 1upx h LYS 119 Ca -0.43 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1upx h LYS 119 Cb 1.20 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.78 1upx h LYS 119 CO 0.73 0.52 0.56 0.66 -2.27 0.00 0.00 179.45 179.65 1upx h SER 120 N 0.82 0.88 0.36 4.20 4.64 -1.99 0.13 113.55 122.58 1upx h SER 120 Ca 0.47 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.66 1upx h SER 120 Cb 0.56 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1upx h SER 120 CO -0.30 0.58 -0.55 0.00 -0.87 0.00 0.00 176.83 175.69 1upx h ALA 121 N 1.52 0.95 -0.39 5.18 0.00 -1.74 -1.68 119.26 123.10 1upx h ALA 121 Ca 0.36 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1upx h ALA 121 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1upx h ALA 121 CO -0.12 0.69 0.02 0.52 0.00 0.00 0.00 179.25 180.36 1upx h MET 122 N 0.16 0.67 -0.56 0.00 2.07 -0.70 -1.59 114.93 114.97 1upx h MET 122 Ca 0.00 -0.20 -0.07 0.00 -2.07 0.00 0.00 59.70 57.36 1upx h MET 122 Cb 1.02 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.66 1upx h MET 122 CO 0.08 0.75 0.09 -0.07 1.07 0.00 0.00 176.91 178.84 1upx h LEU 123 N 0.50 0.89 -0.47 1.22 3.38 -0.88 -0.46 115.31 119.49 1upx h LEU 123 Ca 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1upx h LEU 123 Cb 0.44 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1upx h LEU 123 CO 0.02 0.92 0.26 0.00 0.09 0.00 0.00 178.44 179.73 1upx h ALA 124 N 1.00 0.61 -0.66 1.53 0.00 -1.26 -2.72 119.26 117.76 1upx h ALA 124 Ca 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1upx h ALA 124 Cb 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1upx h ALA 124 CO 0.01 0.13 0.22 -0.22 0.00 0.00 0.00 179.25 179.39 1upx h LYS 125 N 0.62 1.02 -0.96 0.00 1.63 -1.05 -2.58 116.57 115.24 1upx h LYS 125 Ca 0.17 -0.21 0.16 0.00 -0.85 0.00 0.00 60.65 59.92 1upx h LYS 125 Cb 0.05 -0.15 -0.09 0.00 -0.60 0.00 0.00 32.23 31.44 1upx h LYS 125 CO -0.03 0.88 0.61 0.00 -3.45 0.00 0.00 179.45 177.46 1upx h ALA 126 N 1.09 1.76 -0.14 5.00 0.00 -0.78 -1.35 119.26 124.83 1upx h ALA 126 Ca 0.21 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1upx h ALA 126 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1upx h ALA 126 CO -0.01 -0.06 0.22 0.78 0.00 0.00 0.00 179.25 180.18 1upx h GLY 127 N 0.75 0.00 -0.71 0.00 0.00 -1.22 -2.37 103.07 99.53 1upx h GLY 127 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1upx h GLY 127 CO -0.28 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 174.96 1upx n THR 128 N -3.52 0.58 -1.08 4.70 -2.24 -0.52 -4.63 114.28 107.56 1upx n THR 128 Ca 0.01 -0.79 0.04 0.00 -2.27 0.00 0.00 64.05 61.04 1upx n THR 128 Cb 0.33 0.78 0.06 0.00 -2.10 0.00 0.00 70.33 69.39 1upx n THR 128 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1upx n VAL 129 N 0.25 1.02 -0.69 2.28 0.24 -0.90 -4.72 118.33 115.81 1upx n VAL 129 Ca 0.06 -1.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.18 1upx n VAL 129 Cb 0.28 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1upx n VAL 129 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1upx n GLY 130 N -0.72 -0.91 0.26 7.63 0.00 -1.16 -4.86 105.19 105.41 1upx n GLY 130 Ca 0.07 -1.67 0.01 0.00 0.00 0.00 0.00 46.02 44.43 1upx n GLY 130 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1upx h VAL 131 N -0.62 0.84 0.00 1.61 2.07 -1.93 -2.22 116.25 115.99 1upx h VAL 131 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1upx h VAL 131 Cb 0.00 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1upx h VAL 131 CO 0.00 0.10 0.00 0.23 0.02 0.00 0.00 177.57 177.92 1upx n MET 132 N -4.89 0.02 0.26 1.57 2.81 -1.26 -2.95 117.12 112.68 1upx n MET 132 Ca 0.10 0.19 0.09 0.00 -1.81 0.00 0.00 57.70 56.27 1upx n MET 132 Cb 0.26 -1.50 0.68 0.00 -0.71 0.00 0.00 33.22 31.95 1upx n MET 132 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1upx h ALA 133 N 2.63 1.92 -2.25 3.04 0.00 -1.68 -3.38 119.26 119.54 1upx h ALA 133 Ca 0.00 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1upx h ALA 133 Cb 0.29 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 1upx h ALA 133 CO 0.00 0.01 0.48 0.99 0.00 0.00 0.00 179.25 180.72 1upx s THR 134 N -4.99 4.80 -0.03 0.00 2.01 -1.15 -4.96 115.64 111.32 1upx s THR 134 Ca -0.05 1.46 -0.20 0.00 0.31 0.00 0.00 61.69 63.21 1upx s THR 134 Cb 0.17 -4.15 -0.33 0.00 0.01 0.00 0.00 72.50 68.20 1upx s THR 134 CO 0.65 -0.16 0.91 0.71 -0.69 0.00 0.00 174.62 176.04 1upx h THR 135 N 5.51 1.43 -2.91 -0.82 1.35 -1.90 -3.45 112.91 112.13 1upx h THR 135 Ca -0.23 -2.58 -0.53 0.00 -0.55 0.00 0.00 66.41 62.52 1upx h THR 135 Cb 1.09 3.14 0.02 0.00 -1.73 0.00 0.00 68.15 70.67 1upx h THR 135 CO 0.89 0.74 0.81 -0.62 -0.25 0.00 0.00 175.52 177.10 1upx s ASP 136 N -7.15 6.76 0.16 5.36 -1.08 -1.26 -4.93 116.67 114.54 1upx s ASP 136 Ca -0.13 2.34 -0.16 0.00 -0.52 0.00 0.00 52.55 54.08 1upx s ASP 136 Cb 0.02 -2.58 0.06 0.00 -1.46 0.00 0.00 42.92 38.96 1upx s ASP 136 CO 0.86 -0.73 1.75 0.44 0.52 0.00 0.00 175.17 178.02 1upx h ASP 137 N 7.29 0.15 -0.03 -0.34 3.32 -1.99 0.27 116.42 125.08 1upx h ASP 137 Ca -0.41 0.04 -0.24 0.00 0.02 0.00 0.00 57.03 56.44 1upx h ASP 137 Cb 1.20 0.02 0.02 0.00 0.22 0.00 0.00 39.33 40.79 1upx h ASP 137 CO 0.89 0.12 -0.90 0.44 -1.72 0.00 0.00 179.24 178.07 1upx h ASP 138 N 0.28 0.85 -0.58 6.45 3.32 -1.98 -0.82 116.42 123.95 1upx h ASP 138 Ca 0.16 -0.72 -0.04 0.00 0.02 0.00 0.00 57.03 56.45 1upx h ASP 138 Cb 0.14 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1upx h ASP 138 CO -0.16 1.45 0.19 0.58 -1.72 0.00 0.00 179.24 179.58 1upx h VAL 139 N 0.33 1.24 0.09 -1.35 2.07 -1.95 -1.02 116.25 115.66 1upx h VAL 139 Ca -0.10 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1upx h VAL 139 Cb 1.56 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1upx h VAL 139 CO 0.18 0.30 -0.08 -0.09 0.02 0.00 0.00 177.57 177.89 1upx h ARG 140 N 0.81 -0.18 -0.34 1.57 2.43 -0.91 -0.11 114.38 117.65 1upx h ARG 140 Ca 0.19 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1upx h ARG 140 Cb 0.27 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1upx h ARG 140 CO -0.01 -0.12 0.07 1.03 -1.51 0.00 0.00 179.97 179.43 1upx h SER 141 N -0.19 0.03 -0.27 -3.80 0.87 -0.97 -1.43 113.55 107.79 1upx h SER 141 Ca 0.00 0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.44 1upx h SER 141 Cb 0.18 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1upx h SER 141 CO -0.02 0.05 -0.52 -0.07 -0.53 0.00 0.00 176.83 175.74 1upx h LEU 142 N 0.20 0.92 -0.63 2.23 3.38 -1.08 -0.06 115.31 120.26 1upx h LEU 142 Ca 0.16 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.66 1upx h LEU 142 Cb 0.17 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 1upx h LEU 142 CO -0.21 1.29 0.33 0.03 0.09 0.00 0.00 178.44 179.97 1upx h ARG 143 N 0.59 0.59 0.08 1.13 3.08 -0.80 -0.05 114.38 119.00 1upx h ARG 143 Ca 0.01 -0.04 -0.25 0.00 0.07 0.00 0.00 59.98 59.78 1upx h ARG 143 Cb 1.13 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 1upx h ARG 143 CO 0.12 0.39 -1.13 -1.49 -1.07 0.00 0.00 179.97 176.79 1upx h TRP 144 N 0.61 0.38 -0.37 3.04 4.06 -1.15 -0.56 115.95 121.95 1upx h TRP 144 Ca 0.29 -0.26 0.04 0.00 2.06 0.00 0.00 58.89 61.01 1upx h TRP 144 Cb 0.22 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.32 1upx h TRP 144 CO -0.10 1.18 0.16 1.25 -3.56 0.00 0.00 178.44 177.37 1upx h LEU 145 N 0.07 0.20 -0.22 -4.49 5.85 -0.77 0.73 115.31 116.69 1upx h LEU 145 Ca -0.09 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1upx h LEU 145 Cb 1.84 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 1upx h LEU 145 CO 0.18 0.15 0.08 0.40 -0.34 0.00 0.00 178.44 178.92 1upx h ILE 146 N 0.33 1.17 -0.52 4.05 2.04 -0.98 -0.81 117.51 122.79 1upx h ILE 146 Ca 0.16 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1upx h ILE 146 Cb 0.11 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1upx h ILE 146 CO -0.14 0.17 0.30 0.74 0.00 0.00 0.00 178.15 179.21 1upx h THR 147 N 0.19 1.02 -0.67 -0.27 2.02 -0.71 0.16 112.91 114.65 1upx h THR 147 Ca 0.07 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 1upx h THR 147 Cb 0.18 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1upx h THR 147 CO -0.01 0.11 0.11 -0.26 0.37 0.00 0.00 175.52 175.84 1upx h PHE 148 N 0.58 1.17 -0.91 3.16 0.05 -0.76 -0.80 116.94 119.42 1upx h PHE 148 Ca 0.22 -0.16 0.01 0.00 3.82 0.00 0.00 57.97 61.85 1upx h PHE 148 Cb 0.06 -0.32 -0.04 0.00 2.00 0.00 0.00 35.95 37.64 1upx h PHE 148 CO -0.08 0.98 0.59 0.78 -0.18 0.00 0.00 178.31 180.41 1upx h GLY 149 N 1.05 1.29 1.62 -1.45 0.00 -0.57 -2.23 103.07 102.78 1upx h GLY 149 Ca 0.20 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1upx h GLY 149 CO 0.01 0.48 -0.08 1.41 0.00 0.00 0.00 176.54 178.37 1upx h LEU 150 N 1.24 0.45 -0.32 3.11 3.38 -0.15 -0.03 115.31 123.00 1upx h LEU 150 Ca 0.33 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1upx h LEU 150 Cb -0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1upx h LEU 150 CO -0.07 0.58 0.14 0.11 0.09 0.00 0.00 178.44 179.29 1upx h LYS 151 N 0.44 0.47 -0.59 1.13 1.57 -0.63 0.71 116.57 119.67 1upx h LYS 151 Ca 0.09 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1upx h LYS 151 Cb 0.42 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1upx h LYS 151 CO 0.02 0.46 0.27 0.78 -0.57 0.00 0.00 179.45 180.41 1upx h GLY 152 N 0.37 0.93 1.00 3.86 0.00 -0.93 -1.48 103.07 106.83 1upx h GLY 152 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1upx h GLY 152 CO -0.01 0.45 0.43 1.98 0.00 0.00 0.00 176.54 179.39 1upx h MET 153 N 0.81 0.89 -0.71 4.80 1.85 -0.83 -2.46 114.93 119.28 1upx h MET 153 Ca 0.20 -0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 59.19 1upx h MET 153 Cb 0.15 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 31.95 1upx h MET 153 CO -0.02 0.61 0.30 0.00 -0.40 0.00 0.00 176.91 177.39 1upx h ALA 154 N 1.23 1.19 -0.12 0.39 0.00 -0.50 0.04 119.26 121.50 1upx h ALA 154 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1upx h ALA 154 Cb -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1upx h ALA 154 CO -0.05 0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.87 1upx h ALA 155 N 1.30 0.14 -0.52 0.00 0.00 -0.84 0.10 119.26 119.45 1upx h ALA 155 Ca 0.24 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1upx h ALA 155 Cb 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1upx h ALA 155 CO -0.02 -0.38 -0.12 1.88 0.00 0.00 0.00 179.25 180.61 1upx h TYR 156 N 0.15 1.13 -0.82 0.00 0.99 -1.18 -1.79 116.97 115.44 1upx h TYR 156 Ca 0.04 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.54 1upx h TYR 156 Cb -0.01 -0.28 -0.04 0.00 1.00 0.00 0.00 36.73 37.40 1upx h TYR 156 CO -0.08 1.06 0.52 0.00 -0.00 0.00 0.00 178.16 179.66 1upx h ALA 157 N 0.91 1.37 -0.37 3.88 0.00 -0.82 -1.82 119.26 122.41 1upx h ALA 157 Ca 0.13 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1upx h ALA 157 Cb 0.69 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1upx h ALA 157 CO 0.05 0.56 -0.13 -0.22 0.00 0.00 0.00 179.25 179.51 1upx h LYS 158 N 1.12 0.75 -0.78 0.00 3.64 -0.32 -0.90 116.57 120.08 1upx h LYS 158 Ca 0.30 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1upx h LYS 158 Cb -0.09 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 1upx h LYS 158 CO -0.06 0.91 0.39 0.45 -2.27 0.00 0.00 179.45 178.88 1upx h HIS 159 N 0.55 1.09 -0.69 1.91 3.86 -1.08 0.14 115.15 120.92 1upx h HIS 159 Ca 0.09 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1upx h HIS 159 Cb 0.66 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 1upx h HIS 159 CO 0.05 0.78 0.32 0.00 0.86 0.00 0.00 177.93 179.94 1upx h ALA 160 N 1.33 0.90 -0.74 2.45 0.00 -1.05 -2.80 119.26 119.35 1upx h ALA 160 Ca 0.27 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1upx h ALA 160 Cb 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1upx h ALA 160 CO -0.04 0.47 0.29 0.22 0.00 0.00 0.00 179.25 180.19 1upx h ASP 161 N 0.97 1.03 -0.76 0.00 3.58 -0.55 -0.50 116.42 120.20 1upx h ASP 161 Ca 0.24 -0.18 0.13 0.00 0.42 0.00 0.00 57.03 57.64 1upx h ASP 161 Cb 0.14 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 40.87 1upx h ASP 161 CO -0.03 0.93 0.50 0.58 -2.88 0.00 0.00 179.24 178.34 1upx h VAL 162 N 1.07 0.84 -0.51 2.25 2.07 -0.80 -0.52 116.25 120.65 1upx h VAL 162 Ca 0.25 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1upx h VAL 162 Cb 0.22 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1upx h VAL 162 CO -0.02 0.09 0.00 0.18 0.02 0.00 0.00 177.57 177.84 1upx n LEU 163 N -4.49 2.73 0.00 2.57 4.77 -0.66 -4.23 117.00 117.68 1upx n LEU 163 Ca 0.14 -1.37 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 1upx n LEU 163 Cb 0.47 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1upx n LEU 163 CO 0.32 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1upx n GLY 164 N 1.30 0.81 3.32 -0.72 0.00 -0.20 -5.02 105.19 104.67 1upx n GLY 164 Ca 0.17 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1upx n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upx s LYS 165 N -0.62 3.33 0.01 1.61 -0.14 -0.28 -4.96 119.74 118.68 1upx s LYS 165 Ca 0.00 -0.69 -0.13 0.00 -1.36 0.00 0.00 55.97 53.79 1upx s LYS 165 Cb 0.00 -2.72 0.02 0.00 -1.68 0.00 0.00 37.83 33.45 1upx s LYS 165 CO 0.00 0.05 0.27 -3.38 -0.76 0.00 0.00 175.35 171.53 1upx s HIS 166 N 0.77 -0.11 -0.11 3.18 -3.43 -1.26 -2.06 115.29 112.27 1upx s HIS 166 Ca -0.05 0.08 0.01 0.00 -0.80 0.00 0.00 55.06 54.31 1upx s HIS 166 Cb -0.15 0.06 0.02 0.00 -1.43 0.00 0.00 32.58 31.08 1upx s HIS 166 CO 0.01 -0.41 -0.14 -1.21 -2.00 0.00 0.00 174.74 170.99 1upx s GLU 167 N -1.78 2.09 0.31 -0.38 2.02 -1.26 -5.03 118.70 114.67 1upx s GLU 167 Ca -0.11 -0.51 0.03 0.00 0.02 0.00 0.00 54.97 54.40 1upx s GLU 167 Cb -0.04 -1.82 0.62 0.00 0.10 0.00 0.00 34.13 32.99 1upx s GLU 167 CO 0.01 -0.09 1.87 -0.91 0.02 0.00 0.00 175.26 176.16 1upx h ASN 168 N 7.50 0.85 -0.08 -0.19 -0.26 -2.01 -1.50 115.58 119.89 1upx h ASN 168 Ca -0.32 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.41 1upx h ASN 168 Cb 1.17 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 38.27 1upx h ASN 168 CO 0.48 0.48 -0.08 0.77 -1.06 0.00 0.00 177.43 178.01 1upx h SER 169 N 0.93 0.33 0.03 5.81 4.64 -1.98 0.11 113.55 123.41 1upx h SER 169 Ca 0.45 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1upx h SER 169 Cb 0.46 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1upx h SER 169 CO -0.21 0.46 -0.02 0.25 -0.87 0.00 0.00 176.83 176.44 1upx h LEU 170 N 0.34 -0.04 -0.80 5.97 6.46 -1.71 -1.50 115.31 124.02 1upx h LEU 170 Ca 0.07 -0.48 -0.07 0.00 -0.12 0.00 0.00 57.88 57.28 1upx h LEU 170 Cb 0.37 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 1upx h LEU 170 CO 0.02 0.48 0.15 0.44 -0.62 0.00 0.00 178.44 178.91 1upx h ASP 171 N -0.56 1.00 -0.50 1.25 3.32 -1.31 -1.03 116.42 118.59 1upx h ASP 171 Ca -0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1upx h ASP 171 Cb 0.52 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1upx h ASP 171 CO 0.01 0.96 0.23 0.00 -1.72 0.00 0.00 179.24 178.72 1upx h ALA 172 N 1.16 0.65 -0.05 3.45 0.00 -1.02 -2.10 119.26 121.34 1upx h ALA 172 Ca 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1upx h ALA 172 Cb 0.36 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1upx h ALA 172 CO 0.00 0.22 0.03 0.35 0.00 0.00 0.00 179.25 179.86 1upx h PHE 173 N 0.66 0.07 -0.70 0.00 3.57 -0.99 -1.05 116.94 118.51 1upx h PHE 173 Ca 0.17 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.78 1upx h PHE 173 Cb 0.14 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.78 1upx h PHE 173 CO -0.00 0.08 0.30 1.98 -2.23 0.00 0.00 178.31 178.44 1upx h MET 174 N 0.04 0.48 -0.08 1.11 4.05 -0.98 0.14 114.93 119.69 1upx h MET 174 Ca 0.02 -0.03 -0.20 0.00 -0.28 0.00 0.00 59.70 59.20 1upx h MET 174 Cb 0.03 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1upx h MET 174 CO -0.00 0.32 -0.79 1.96 0.23 0.00 0.00 176.91 178.62 1upx h GLN 175 N 0.50 0.51 -0.42 0.39 4.20 -1.22 -1.37 115.11 117.70 1upx h GLN 175 Ca 0.36 -0.45 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1upx h GLN 175 Cb 0.45 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1upx h GLN 175 CO -0.32 1.08 -0.06 1.49 -0.67 0.00 0.00 178.83 180.35 1upx h GLU 176 N 0.34 0.78 -0.53 1.46 4.81 -0.71 -2.42 114.58 118.31 1upx h GLU 176 Ca -0.05 -0.28 -0.09 0.00 -0.13 0.00 0.00 59.36 58.81 1upx h GLU 176 Cb 1.39 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 1upx h GLU 176 CO 0.14 0.89 -0.01 0.00 -0.73 0.00 0.00 179.01 179.31 1upx h ALA 177 N 0.87 0.72 -0.52 2.92 0.00 -0.62 -1.00 119.26 121.63 1upx h ALA 177 Ca 0.11 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1upx h ALA 177 Cb 0.58 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1upx h ALA 177 CO 0.03 0.55 0.28 -0.07 0.00 0.00 0.00 179.25 180.04 1upx h LEU 178 N 0.82 0.42 -0.90 0.00 3.38 -1.24 -2.23 115.31 115.56 1upx h LEU 178 Ca 0.15 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1upx h LEU 178 Cb 0.54 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1upx h LEU 178 CO 0.03 0.29 0.43 0.00 0.09 0.00 0.00 178.44 179.28 1upx h ALA 179 N 1.26 1.15 0.00 1.53 0.00 -1.07 -2.47 119.26 119.67 1upx h ALA 179 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1upx h ALA 179 Cb 0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1upx h ALA 179 CO -0.14 0.66 -0.11 0.87 0.00 0.00 0.00 179.25 180.53 1upx h LYS 180 N 1.21 0.00 0.00 0.00 1.57 -0.61 -1.82 116.57 116.93 1upx h LYS 180 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1upx h LYS 180 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1upx h LYS 180 CO -0.04 0.11 0.00 0.25 -0.57 0.00 0.00 179.45 179.20 1upx n THR 181 N -4.30 0.67 0.65 -0.16 -2.24 -0.93 -1.79 114.28 106.18 1upx n THR 181 Ca -0.03 0.17 0.08 0.00 -2.27 0.00 0.00 64.05 62.00 1upx n THR 181 Cb 0.18 -0.89 0.06 0.00 -2.10 0.00 0.00 70.33 67.59 1upx n THR 181 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1upx n LEU 182 N -1.38 2.26 -4.56 3.22 4.77 -0.69 -4.94 117.00 115.69 1upx n LEU 182 Ca 0.06 -0.99 -0.43 0.00 -0.03 0.00 0.00 56.01 54.63 1upx n LEU 182 Cb 0.16 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1upx n LEU 182 CO 0.14 0.41 0.83 -0.62 -1.33 0.00 0.00 177.39 176.81 1upx s ASP 183 N -1.34 6.45 0.23 -1.43 -1.08 -0.74 -4.90 116.67 113.87 1upx s ASP 183 Ca 0.18 0.00 0.23 0.00 -0.52 0.00 0.00 52.55 52.44 1upx s ASP 183 Cb 0.13 -2.47 0.94 0.00 -1.46 0.00 0.00 42.92 40.06 1upx s ASP 183 CO 0.21 -1.19 1.70 0.47 0.52 0.00 0.00 175.17 176.87 1upx n ASP 184 N 7.52 0.62 0.13 -0.34 8.00 -1.26 -2.88 116.55 128.34 1upx n ASP 184 Ca 0.06 0.64 0.13 0.00 0.71 0.00 0.00 54.79 56.33 1upx n ASP 184 Cb 0.48 -0.78 0.38 0.00 -0.02 0.00 0.00 41.12 41.19 1upx n ASP 184 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1upx h SER 185 N 0.00 0.00 -3.48 -2.24 4.64 -1.95 -3.46 113.55 107.06 1upx h SER 185 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1upx h SER 185 Cb 0.39 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1upx h SER 185 CO 0.00 0.00 0.56 -0.76 -0.87 0.00 0.00 176.83 175.76 1upx s LEU 186 N -4.85 4.45 0.82 5.97 1.43 -1.14 -5.03 118.68 120.34 1upx s LEU 186 Ca 0.09 2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 55.32 1upx s LEU 186 Cb 0.11 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.81 1upx s LEU 186 CO 0.59 -0.38 1.18 -0.94 0.23 0.00 0.00 176.35 177.02 1upx s SER 187 N 0.14 4.37 0.21 2.29 1.04 -1.26 -4.89 113.70 115.59 1upx s SER 187 Ca 0.53 0.79 -0.10 0.00 0.48 0.00 0.00 55.95 57.65 1upx s SER 187 Cb -0.33 -1.29 0.17 0.00 0.10 0.00 0.00 66.02 64.67 1upx s SER 187 CO 0.37 -2.00 1.87 0.58 0.98 0.00 0.00 173.24 175.04 1upx h VAL 188 N -1.12 1.15 -0.91 5.02 2.07 -1.97 -1.26 116.25 119.23 1upx h VAL 188 Ca -0.46 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1upx h VAL 188 Cb 1.33 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1upx h VAL 188 CO 0.65 0.17 0.60 0.00 0.02 0.00 0.00 177.57 179.02 1upx h ALA 189 N 1.28 1.16 -0.82 1.67 0.00 -1.99 0.10 119.26 120.66 1upx h ALA 189 Ca 0.28 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1upx h ALA 189 Cb -0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.33 1upx h ALA 189 CO -0.08 0.55 0.54 -0.44 0.00 0.00 0.00 179.25 179.82 1upx h ASP 190 N 1.23 0.94 0.41 0.00 3.32 -1.78 -1.43 116.42 119.11 1upx h ASP 190 Ca 0.34 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.16 1upx h ASP 190 Cb -0.13 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.19 1upx h ASP 190 CO -0.08 0.67 -0.87 -0.07 -1.72 0.00 0.00 179.24 177.18 1upx h LEU 191 N 1.10 0.41 -0.59 1.55 3.38 -0.31 -0.91 115.31 119.95 1upx h LEU 191 Ca 0.31 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1upx h LEU 191 Cb -0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1upx h LEU 191 CO -0.07 1.10 0.26 0.58 0.09 0.00 0.00 178.44 180.39 1upx h VAL 192 N 0.19 1.22 -0.74 1.22 2.07 -0.70 -0.07 116.25 119.44 1upx h VAL 192 Ca -0.05 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1upx h VAL 192 Cb 1.48 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1upx h VAL 192 CO 0.14 0.26 0.48 0.00 0.02 0.00 0.00 177.57 178.48 1upx h ALA 193 N 1.10 0.95 -0.05 1.67 0.00 -1.11 -2.17 119.26 119.63 1upx h ALA 193 Ca 0.20 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1upx h ALA 193 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1upx h ALA 193 CO -0.02 0.32 -0.46 1.25 0.00 0.00 0.00 179.25 180.34 1upx h LEU 194 N 0.97 0.12 -0.25 0.00 5.85 -0.81 -0.82 115.31 120.38 1upx h LEU 194 Ca 0.28 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1upx h LEU 194 Cb -0.07 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1upx h LEU 194 CO -0.08 0.57 0.15 0.74 -0.34 0.00 0.00 178.44 179.48 1upx h THR 195 N 0.10 1.09 -0.14 1.05 2.02 -0.45 0.60 112.91 117.17 1upx h THR 195 Ca 0.00 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 66.83 1upx h THR 195 Cb 0.85 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1upx h THR 195 CO 0.06 0.09 -0.49 -0.07 0.37 0.00 0.00 175.52 175.49 1upx h LEU 196 N 0.31 0.41 -0.85 2.58 3.38 -1.06 -2.06 115.31 118.02 1upx h LEU 196 Ca 0.09 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1upx h LEU 196 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1upx h LEU 196 CO -0.02 0.83 -0.09 -0.08 0.09 0.00 0.00 178.44 179.18 1upx h GLU 197 N 0.30 0.76 -0.73 1.13 4.81 -0.97 -1.69 114.58 118.18 1upx h GLU 197 Ca 0.01 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1upx h GLU 197 Cb 0.97 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 1upx h GLU 197 CO 0.08 0.83 0.46 1.15 -0.73 0.00 0.00 179.01 180.81 1upx h THR 198 N 0.70 1.20 -0.79 0.32 2.02 -0.59 -1.05 112.91 114.72 1upx h THR 198 Ca 0.12 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.94 1upx h THR 198 Cb 0.56 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 1upx h THR 198 CO 0.03 0.20 0.50 1.23 0.37 0.00 0.00 175.52 177.85 1upx h GLY 199 N 0.99 1.14 0.96 2.16 0.00 -0.87 0.10 103.07 107.57 1upx h GLY 199 Ca 0.27 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1upx h GLY 199 CO -0.05 0.31 0.20 1.70 0.00 0.00 0.00 176.54 178.71 1upx h LYS 200 N 0.97 0.57 0.00 4.80 3.64 -0.64 -1.29 116.57 124.62 1upx h LYS 200 Ca 0.32 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1upx h LYS 200 Cb 0.03 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1upx h LYS 200 CO -0.12 0.48 -0.07 0.74 -2.27 0.00 0.00 179.45 178.21 1upx h PHE 201 N 0.51 0.00 -0.41 1.91 -1.00 -0.91 -2.03 116.94 115.00 1upx h PHE 201 Ca 0.14 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 1upx h PHE 201 Cb 0.09 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 1upx h PHE 201 CO -0.02 0.07 0.22 0.78 -1.61 0.00 0.00 178.31 177.75 1upx h GLY 202 N 2.17 0.62 0.91 -1.45 0.00 0.22 0.51 103.07 106.05 1upx h GLY 202 Ca -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.06 1upx h GLY 202 CO 0.01 0.28 0.35 -2.08 0.00 0.00 0.00 176.54 175.10 1upx h VAL 203 N 0.53 1.09 -0.58 4.60 2.07 -0.75 -0.63 116.25 122.57 1upx h VAL 203 Ca 0.14 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1upx h VAL 203 Cb 0.08 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1upx h VAL 203 CO -0.02 0.13 0.37 0.28 0.02 0.00 0.00 177.57 178.35 1upx h SER 204 N 0.70 0.63 -0.48 0.57 0.02 -1.00 0.17 113.55 114.16 1upx h SER 204 Ca 0.22 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 1upx h SER 204 Cb -0.01 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1upx h SER 204 CO -0.08 0.45 0.07 0.00 -1.14 0.00 0.00 176.83 176.13 1upx h ALA 205 N 1.23 0.64 -0.39 3.77 0.00 -0.63 -0.67 119.26 123.21 1upx h ALA 205 Ca 0.22 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1upx h ALA 205 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1upx h ALA 205 CO -0.07 0.38 -0.11 0.52 0.00 0.00 0.00 179.25 179.97 1upx h MET 206 N 0.67 0.69 -0.67 0.00 2.86 -0.74 -1.15 114.93 116.59 1upx h MET 206 Ca 0.14 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1upx h MET 206 Cb 0.40 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1upx h MET 206 CO 0.01 0.78 0.10 0.00 1.06 0.00 0.00 176.91 178.87 1upx h ALA 207 N 1.25 0.89 -0.39 6.32 0.00 -0.37 0.43 119.26 127.39 1upx h ALA 207 Ca 0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1upx h ALA 207 Cb 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1upx h ALA 207 CO 0.03 0.66 0.05 1.25 0.00 0.00 0.00 179.25 181.24 1upx h LEU 208 N 1.03 0.63 -0.54 0.00 5.85 -0.82 -1.05 115.31 120.41 1upx h LEU 208 Ca 0.20 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 1upx h LEU 208 Cb 0.45 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1upx h LEU 208 CO 0.01 0.74 -0.08 0.25 -0.34 0.00 0.00 178.44 179.02 1upx h LEU 209 N 0.49 1.00 -0.48 2.25 5.85 -1.08 -0.34 115.31 123.01 1upx h LEU 209 Ca 0.12 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1upx h LEU 209 Cb 0.39 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1upx h LEU 209 CO 0.01 1.11 0.21 -0.78 -0.34 0.00 0.00 178.44 178.65 1upx h ASP 210 N 0.88 0.28 -0.62 1.25 3.58 -0.77 0.14 116.42 121.15 1upx h ASP 210 Ca 0.14 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.56 1upx h ASP 210 Cb 0.64 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 1upx h ASP 210 CO 0.04 0.19 0.14 0.00 -2.88 0.00 0.00 179.24 176.74 1upx h ALA 211 N 1.28 1.03 -0.02 -0.78 0.00 -0.94 -1.19 119.26 118.64 1upx h ALA 211 Ca 0.22 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1upx h ALA 211 Cb 0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1upx h ALA 211 CO -0.18 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1upx h ALA 212 N 1.17 0.02 0.05 0.00 0.00 -0.47 0.63 119.26 120.66 1upx h ALA 212 Ca 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1upx h ALA 212 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1upx h ALA 212 CO 0.00 -0.33 -0.02 -0.91 0.00 0.00 0.00 179.25 177.99 1upx h ASN 213 N -0.25 -0.05 0.60 0.00 2.35 -0.65 -2.13 115.58 115.44 1upx h ASN 213 Ca 0.00 -0.11 -0.15 0.00 -0.55 0.00 0.00 56.30 55.49 1upx h ASN 213 Cb 0.29 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1upx h ASN 213 CO 0.00 0.08 -0.70 0.71 -1.65 0.00 0.00 177.43 175.87 1upx h THR 214 N -0.18 1.47 -0.12 2.81 1.35 -1.26 -0.76 112.91 116.21 1upx h THR 214 Ca -0.01 -2.32 -0.08 0.00 -0.55 0.00 0.00 66.41 63.45 1upx h THR 214 Cb 0.16 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 1upx h THR 214 CO 0.01 0.67 -0.30 1.23 -0.25 0.00 0.00 175.52 176.88 1upx h GLY 215 N 1.89 0.24 0.50 5.82 0.00 -0.82 -0.64 103.07 110.06 1upx h GLY 215 Ca -0.01 -0.20 -0.32 0.00 0.00 0.00 0.00 47.33 46.81 1upx h GLY 215 CO 0.10 0.18 -1.68 -0.84 0.00 0.00 0.00 176.54 174.30 1upx h THR 216 N 0.20 0.81 -0.08 4.70 2.02 -1.21 -3.41 112.91 115.94 1upx h THR 216 Ca 0.03 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1upx h THR 216 Cb 0.64 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1upx h THR 216 CO 0.05 0.73 0.00 -1.22 0.37 0.00 0.00 175.52 175.45 1upx n TYR 217 N -3.80 0.10 0.00 3.16 4.02 -0.31 -4.98 117.16 115.36 1upx n TYR 217 Ca -0.30 -0.24 0.00 0.00 -0.01 0.00 0.00 57.90 57.35 1upx n TYR 217 Cb 0.94 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.24 1upx n TYR 217 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1upx n GLY 218 N 0.14 0.02 3.72 2.72 0.00 -0.25 -1.98 105.19 109.56 1upx n GLY 218 Ca 0.04 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1upx n GLY 218 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1upx s HIS 219 N -2.56 3.50 0.48 1.61 3.76 -1.25 -4.29 115.29 116.54 1upx s HIS 219 Ca 0.00 1.44 -0.22 0.00 -0.15 0.00 0.00 55.06 56.13 1upx s HIS 219 Cb 0.00 -3.36 -0.10 0.00 1.11 0.00 0.00 32.58 30.23 1upx s HIS 219 CO 0.00 -0.98 0.79 -2.30 -0.85 0.00 0.00 174.74 171.40 1upx n PRO 220 N 3.21 0.91 -4.16 8.40 -0.02 -1.26 -4.39 135.00 137.69 1upx n PRO 220 Ca 0.06 0.33 -0.10 0.00 -2.02 0.00 0.00 63.50 61.78 1upx n PRO 220 Cb 0.46 -1.86 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 1upx n PRO 220 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1upx s GLU 221 N -2.05 0.88 0.15 -0.52 -1.05 -0.49 -4.26 118.70 111.36 1upx s GLU 221 Ca 0.66 -1.39 -0.34 0.00 -0.15 0.00 0.00 54.97 53.75 1upx s GLU 221 Cb -0.52 0.05 -0.15 0.00 -0.44 0.00 0.00 34.13 33.08 1upx s GLU 221 CO 0.55 -0.16 1.49 -0.89 0.95 0.00 0.00 175.26 177.20 1upx n ILE 222 N -0.07 0.12 -3.79 1.83 5.41 -1.24 -4.25 119.36 117.36 1upx n ILE 222 Ca -0.09 -0.03 -0.13 0.00 1.00 0.00 0.00 62.75 63.51 1upx n ILE 222 Cb 0.62 -1.34 -0.12 0.00 -0.71 0.00 0.00 39.64 38.10 1upx n ILE 222 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1upx s THR 223 N 0.68 -0.00 -0.24 1.39 2.01 0.11 -4.98 115.64 114.60 1upx s THR 223 Ca 0.79 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.69 1upx s THR 223 Cb -0.75 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 1upx s THR 223 CO 0.42 0.00 0.16 -0.54 -0.69 0.00 0.00 174.62 173.97 1upx s LYS 224 N 0.18 4.05 -0.20 4.92 1.02 -1.26 -1.54 119.74 126.90 1upx s LYS 224 Ca -0.01 -0.28 -0.04 0.00 0.02 0.00 0.00 55.97 55.66 1upx s LYS 224 Cb -0.02 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 1upx s LYS 224 CO -0.00 0.03 -0.03 0.08 -0.92 0.00 0.00 175.35 174.51 1upx s VAL 225 N 1.13 3.57 0.19 3.17 1.01 0.61 -4.95 120.40 125.13 1upx s VAL 225 Ca 0.07 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1upx s VAL 225 Cb -0.14 -2.61 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 1upx s VAL 225 CO 0.05 0.44 1.39 0.21 0.00 0.00 0.00 175.10 177.18 1upx s ASN 226 N 1.16 6.79 0.00 3.32 2.47 -1.26 -1.37 114.94 126.05 1upx s ASN 226 Ca 0.02 2.47 0.13 0.00 0.42 0.00 0.00 52.86 55.90 1upx s ASN 226 Cb -0.14 -2.61 0.06 0.00 -1.45 0.00 0.00 41.25 37.11 1upx s ASN 226 CO -0.00 -0.63 0.85 2.30 -3.72 0.00 0.00 177.10 175.90 1upx n ILE 227 N 3.02 0.00 -1.71 -5.21 -5.35 -0.46 -1.26 119.36 108.38 1upx n ILE 227 Ca 0.08 -0.44 -0.14 0.00 -0.27 0.00 0.00 62.75 61.98 1upx n ILE 227 Cb 0.42 1.23 0.09 0.00 -1.74 0.00 0.00 39.64 39.64 1upx n ILE 227 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1upx n GLY 228 N 0.88 -0.79 3.28 3.28 0.00 -1.21 -4.53 105.19 106.10 1upx n GLY 228 Ca 0.07 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.16 1upx n GLY 228 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upx s VAL 229 N -2.18 1.33 0.00 1.61 -7.23 -1.26 -4.59 120.40 108.08 1upx s VAL 229 Ca 0.36 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1upx s VAL 229 Cb -0.01 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 35.00 1upx s VAL 229 CO 0.25 -0.68 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 1upx n GLY 230 N -0.26 1.26 0.62 2.32 0.00 -1.26 -5.03 105.19 102.83 1upx n GLY 230 Ca -0.09 -2.01 0.06 0.00 0.00 0.00 0.00 46.02 43.98 1upx n GLY 230 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1upx n SER 231 N -2.49 2.51 -4.93 1.61 3.41 -1.26 -4.55 113.62 107.93 1upx n SER 231 Ca 0.00 -1.74 -0.26 0.00 -0.26 0.00 0.00 58.87 56.61 1upx n SER 231 Cb 0.00 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 1upx n SER 231 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1upx s ASN 232 N -1.04 6.35 0.59 4.04 0.01 -1.26 -4.72 114.94 118.91 1upx s ASN 232 Ca 0.20 0.48 -0.20 0.00 -0.71 0.00 0.00 52.86 52.64 1upx s ASN 232 Cb 0.12 -2.04 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 1upx s ASN 232 CO 0.17 -0.20 1.21 -0.81 -1.51 0.00 0.00 177.10 175.96 1upx n PRO 233 N -1.29 1.24 -4.21 -0.60 -0.04 -1.26 -4.37 135.00 124.47 1upx n PRO 233 Ca -0.04 0.47 -0.12 0.00 -0.04 0.00 0.00 63.50 63.77 1upx n PRO 233 Cb 0.55 -2.42 -0.10 0.00 -0.04 0.00 0.00 33.50 31.49 1upx n PRO 233 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1upx s GLY 234 N -1.17 1.08 -0.07 0.55 0.00 -1.26 -1.27 107.32 105.18 1upx s GLY 234 Ca 0.77 -1.52 0.04 0.00 0.00 0.00 0.00 44.72 44.00 1upx s GLY 234 CO 0.46 -1.48 -0.19 -0.42 0.00 0.00 0.00 173.10 171.47 1upx s ILE 235 N -3.74 2.62 -0.28 0.90 1.01 -0.27 -3.66 121.20 117.78 1upx s ILE 235 Ca 0.22 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 1upx s ILE 235 Cb 0.06 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1upx s ILE 235 CO 0.02 0.57 0.13 -0.22 0.00 0.00 0.00 174.94 175.43 1upx s LEU 236 N -0.23 3.81 -0.18 2.97 2.96 -0.24 -1.06 118.68 126.70 1upx s LEU 236 Ca -0.00 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1upx s LEU 236 Cb -0.13 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1upx s LEU 236 CO 0.03 -0.09 0.04 -0.51 -1.32 0.00 0.00 176.35 174.50 1upx s ILE 237 N 1.66 4.60 0.37 6.68 2.07 -0.00 -0.23 121.20 136.34 1upx s ILE 237 Ca 0.06 -0.10 0.05 0.00 -1.41 0.00 0.00 60.65 59.25 1upx s ILE 237 Cb -0.16 -3.07 -0.07 0.00 0.13 0.00 0.00 42.46 39.30 1upx s ILE 237 CO 0.06 0.46 0.04 -0.55 -1.91 0.00 0.00 174.94 173.05 1upx s SER 238 N 0.40 3.01 0.00 4.50 0.15 0.24 -1.12 113.70 120.88 1upx s SER 238 Ca 0.02 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.27 1upx s SER 238 Cb -0.13 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 1upx s SER 238 CO 0.01 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.49 1upx n GLY 239 N -0.82 0.58 0.00 9.45 0.00 -1.26 -1.69 105.19 111.45 1upx n GLY 239 Ca -0.04 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1upx n GLY 239 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1upx n HIS 240 N 3.25 0.00 -2.56 1.61 8.25 -1.26 -2.05 115.22 122.45 1upx n HIS 240 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1upx n HIS 240 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1upx n HIS 240 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1upx s ASP 241 N -0.54 6.60 0.30 0.41 -1.08 -1.26 -4.89 116.67 116.22 1upx s ASP 241 Ca 0.00 0.57 0.13 0.00 -0.52 0.00 0.00 52.55 52.73 1upx s ASP 241 Cb 0.00 -2.55 0.44 0.00 -1.46 0.00 0.00 42.92 39.35 1upx s ASP 241 CO 0.00 -1.26 1.64 -0.07 0.52 0.00 0.00 175.17 175.99 1upx h LEU 242 N 11.32 0.00 -0.80 -1.34 3.38 -1.97 -3.04 115.31 122.87 1upx h LEU 242 Ca -0.24 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1upx h LEU 242 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1upx h LEU 242 CO 1.12 0.54 -0.00 -0.09 0.09 0.00 0.00 178.44 180.09 1upx h ARG 243 N 0.00 0.90 -0.61 1.13 9.65 -1.96 -1.14 114.38 122.36 1upx h ARG 243 Ca -0.01 -0.26 -0.00 0.00 -1.10 0.00 0.00 59.98 58.61 1upx h ARG 243 Cb 1.06 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.52 1upx h ARG 243 CO 0.07 0.90 0.36 -0.44 2.80 0.00 0.00 179.97 183.66 1upx h ASP 244 N 0.83 0.74 -0.47 -3.80 3.32 -1.94 -1.94 116.42 113.16 1upx h ASP 244 Ca 0.16 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1upx h ASP 244 Cb 0.50 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1upx h ASP 244 CO 0.02 0.59 0.31 0.25 -1.72 0.00 0.00 179.24 178.69 1upx h LEU 245 N 0.83 0.53 -0.32 1.55 5.85 -1.38 -0.48 115.31 121.89 1upx h LEU 245 Ca 0.22 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.98 1upx h LEU 245 Cb -0.01 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 1upx h LEU 245 CO -0.04 0.39 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.36 1upx h GLU 246 N 0.63 0.08 -0.71 1.25 4.81 -0.85 0.17 114.58 119.95 1upx h GLU 246 Ca 0.17 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1upx h GLU 246 Cb -0.07 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1upx h GLU 246 CO -0.04 0.05 0.25 0.52 -0.73 0.00 0.00 179.01 179.06 1upx h MET 247 N 0.08 1.09 -0.50 1.92 2.86 -1.16 -1.61 114.93 117.62 1upx h MET 247 Ca 0.15 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1upx h MET 247 Cb 0.21 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1upx h MET 247 CO -0.26 0.92 0.10 1.25 1.06 0.00 0.00 176.91 179.98 1upx h LEU 248 N 1.04 0.79 -0.63 1.22 5.85 -0.48 -1.67 115.31 121.43 1upx h LEU 248 Ca 0.23 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1upx h LEU 248 Cb 0.27 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1upx h LEU 248 CO -0.01 0.83 0.17 -0.07 -0.34 0.00 0.00 178.44 179.02 1upx h LEU 249 N 0.70 0.95 -0.62 2.25 3.38 -0.50 -1.06 115.31 120.40 1upx h LEU 249 Ca 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1upx h LEU 249 Cb 0.37 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1upx h LEU 249 CO 0.01 0.92 0.31 0.11 0.09 0.00 0.00 178.44 179.88 1upx h LYS 250 N 0.92 0.89 0.00 1.13 1.57 -1.15 -2.47 116.57 117.46 1upx h LYS 250 Ca 0.20 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1upx h LYS 250 Cb 0.33 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1upx h LYS 250 CO -0.00 0.70 -0.25 1.96 -0.57 0.00 0.00 179.45 181.29 1upx h GLN 251 N 0.85 0.00 0.00 3.15 4.20 -1.08 -2.98 115.11 119.25 1upx h GLN 251 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1upx h GLN 251 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1upx h GLN 251 CO -0.03 0.25 -0.43 0.25 -0.67 0.00 0.00 178.83 178.20 1upx n THR 252 N -3.27 0.06 -1.67 -0.54 -2.24 -0.42 -4.82 114.28 101.37 1upx n THR 252 Ca 0.01 -0.04 -0.47 0.00 -2.27 0.00 0.00 64.05 61.28 1upx n THR 252 Cb 0.53 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 1upx n THR 252 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1upx n GLU 253 N -1.60 2.17 -1.00 -0.78 4.07 -0.94 -1.71 120.64 120.86 1upx n GLU 253 Ca 0.05 0.79 0.00 0.00 -0.06 0.00 0.00 57.16 57.94 1upx n GLU 253 Cb 0.35 -2.59 0.00 0.00 -0.06 0.00 0.00 31.44 29.15 1upx n GLU 253 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1upx n GLY 254 N 3.76 0.91 0.06 8.31 0.00 -1.26 -4.91 105.19 112.07 1upx n GLY 254 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1upx n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upx n THR 255 N -2.15 0.34 -0.83 2.61 -2.24 -0.70 -4.95 114.28 106.37 1upx n THR 255 Ca 0.00 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1upx n THR 255 Cb 0.00 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1upx n THR 255 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1upx n GLY 256 N 1.28 0.78 3.64 3.38 0.00 -1.26 -5.03 105.19 107.98 1upx n GLY 256 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1upx n GLY 256 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upx s VAL 257 N -2.95 5.15 0.44 1.61 1.01 -1.26 -4.31 120.40 120.09 1upx s VAL 257 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 1upx s VAL 257 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1upx s VAL 257 CO 0.00 0.38 0.76 -1.81 0.00 0.00 0.00 175.10 174.43 1upx s ASP 258 N 0.88 6.34 -0.09 3.32 1.01 -0.40 -4.84 116.67 122.89 1upx s ASP 258 Ca 0.06 0.95 0.04 0.00 0.71 0.00 0.00 52.55 54.32 1upx s ASP 258 Cb -0.13 -2.25 -0.00 0.00 1.01 0.00 0.00 42.92 41.54 1upx s ASP 258 CO 0.03 -0.50 -0.24 -0.69 0.21 0.00 0.00 175.17 173.98 1upx s VAL 259 N -2.59 2.04 0.17 -1.27 1.01 -0.41 -1.12 120.40 118.24 1upx s VAL 259 Ca 0.48 -1.02 0.11 0.00 0.00 0.00 0.00 61.98 61.55 1upx s VAL 259 Cb -0.10 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1upx s VAL 259 CO 0.40 0.56 -0.25 -0.31 0.00 0.00 0.00 175.10 175.50 1upx s TYR 260 N 0.22 2.31 0.27 5.22 1.51 -0.22 -0.37 117.35 126.29 1upx s TYR 260 Ca -0.15 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 55.60 1upx s TYR 260 Cb -0.17 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1upx s TYR 260 CO 0.08 0.44 0.32 0.95 -1.11 0.00 0.00 175.55 176.23 1upx s THR 261 N -1.45 4.63 -0.03 -0.71 -4.23 -0.58 -0.82 115.64 112.44 1upx s THR 261 Ca 0.18 -1.17 -0.02 0.00 -1.18 0.00 0.00 61.69 59.51 1upx s THR 261 Cb -0.09 -3.57 0.01 0.00 1.34 0.00 0.00 72.50 70.19 1upx s THR 261 CO 0.08 -0.29 0.07 -2.28 -0.54 0.00 0.00 174.62 171.66 1upx s HIS 262 N -2.09 -0.07 0.00 3.99 2.46 -0.28 -0.61 115.29 118.69 1upx s HIS 262 Ca 0.36 0.19 0.00 0.00 0.47 0.00 0.00 55.06 56.08 1upx s HIS 262 Cb -0.08 0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.37 1upx s HIS 262 CO 0.28 -0.04 0.00 0.45 -2.47 0.00 0.00 174.74 172.95 1upx n SER 263 N 3.16 0.00 -0.30 9.88 2.88 -1.22 -1.22 113.62 126.80 1upx n SER 263 Ca -0.14 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.49 1upx n SER 263 Cb 0.59 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 64.44 1upx n SER 263 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1upx n GLU 264 N 0.00 1.39 0.00 -1.46 -0.58 -1.24 -2.83 120.64 115.91 1upx n GLU 264 Ca 0.00 -0.58 0.12 0.00 -0.42 0.00 0.00 57.16 56.28 1upx n GLU 264 Cb 0.00 -1.31 0.22 0.00 -0.57 0.00 0.00 31.44 29.78 1upx n GLU 264 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1upx n MET 265 N -0.17 0.00 -0.28 3.49 2.81 -0.36 -4.33 117.12 118.28 1upx n MET 265 Ca 0.14 -0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.06 1upx n MET 265 Cb 0.19 -1.50 0.12 0.00 -0.71 0.00 0.00 33.22 31.33 1upx n MET 265 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1upx h LEU 266 N 0.00 -0.64 -1.48 4.03 5.85 -1.69 -1.20 115.31 120.19 1upx h LEU 266 Ca 0.00 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1upx h LEU 266 Cb 0.50 0.46 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1upx h LEU 266 CO 0.00 -0.25 0.00 -0.65 -0.34 0.00 0.00 178.44 177.20 1upx h PRO 267 N 0.02 0.00 -0.89 5.25 0.11 -1.85 -2.06 132.00 132.58 1upx h PRO 267 Ca 0.40 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.71 1upx h PRO 267 Cb 0.65 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.70 1upx h PRO 267 CO -0.79 0.00 0.59 0.00 -0.21 0.00 0.00 178.00 177.59 1upx h ALA 268 N 2.06 2.20 -0.06 -0.75 0.00 -1.51 -0.43 119.26 120.77 1upx h ALA 268 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1upx h ALA 268 Cb 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1upx h ALA 268 CO 0.00 -0.48 0.08 0.45 0.00 0.00 0.00 179.25 179.30 1upx h HIS 269 N 0.41 0.00 0.00 0.00 3.86 -1.55 -2.67 115.15 115.19 1upx h HIS 269 Ca 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 1upx h HIS 269 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1upx h HIS 269 CO -0.00 0.00 0.00 1.88 0.86 0.00 0.00 177.93 180.67 1upx h TYR 270 N 0.00 0.00 -3.35 2.45 0.99 -1.27 -3.45 116.97 112.33 1upx h TYR 270 Ca 0.03 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.20 1upx h TYR 270 Cb 0.18 0.00 -0.06 0.00 1.00 0.00 0.00 36.73 37.85 1upx h TYR 270 CO 0.00 0.00 0.03 0.71 -0.00 0.00 0.00 178.16 178.90 1upx s TYR 271 N -3.15 3.58 0.42 4.88 1.51 -1.01 -1.39 117.35 122.19 1upx s TYR 271 Ca 0.09 1.17 0.12 0.00 -1.01 0.00 0.00 57.07 57.44 1upx s TYR 271 Cb 0.11 -2.73 0.97 0.00 -0.11 0.00 0.00 41.96 40.20 1upx s TYR 271 CO 0.59 0.14 1.98 -1.35 -1.11 0.00 0.00 175.55 175.79 1upx h PRO 272 N 6.62 0.46 -0.50 -1.71 0.11 -1.75 -2.49 132.00 132.74 1upx h PRO 272 Ca -0.41 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1upx h PRO 272 Cb 1.19 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1upx h PRO 272 CO 0.75 0.31 0.20 0.00 -0.21 0.00 0.00 178.00 179.04 1upx h ALA 273 N 1.69 1.40 0.00 -0.75 0.00 -1.77 -2.56 119.26 117.28 1upx h ALA 273 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1upx h ALA 273 Cb 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1upx h ALA 273 CO -0.08 0.45 0.00 1.19 0.00 0.00 0.00 179.25 180.81 1upx n PHE 274 N -4.35 0.90 0.46 0.00 0.99 -0.94 -3.11 117.46 111.42 1upx n PHE 274 Ca 0.04 0.26 0.10 0.00 -0.00 0.00 0.00 57.45 57.85 1upx n PHE 274 Cb 0.16 -0.93 0.41 0.00 -1.00 0.00 0.00 39.48 38.11 1upx n PHE 274 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1upx n LYS 275 N -2.24 0.10 -0.01 -1.08 5.02 -0.96 -2.95 118.16 116.04 1upx n LYS 275 Ca 0.06 0.33 0.14 0.00 -2.02 0.00 0.00 58.31 56.81 1upx n LYS 275 Cb 0.42 -1.69 0.65 0.00 -0.02 0.00 0.00 35.03 34.39 1upx n LYS 275 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1upx n LYS 276 N -1.87 1.44 -3.60 1.97 5.02 -1.18 -4.68 118.16 115.25 1upx n LYS 276 Ca 0.03 -0.64 -0.40 0.00 -2.02 0.00 0.00 58.31 55.28 1upx n LYS 276 Cb 0.21 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 1upx n LYS 276 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1upx s TYR 277 N -1.98 3.23 0.32 2.13 1.51 -1.15 -4.98 117.35 116.43 1upx s TYR 277 Ca 0.40 -0.87 0.29 0.00 -1.01 0.00 0.00 57.07 55.88 1upx s TYR 277 Cb 0.21 -2.43 1.39 0.00 -0.11 0.00 0.00 41.96 41.02 1upx s TYR 277 CO 0.33 -0.61 2.02 0.00 -1.11 0.00 0.00 175.55 176.19 1upx h ALA 278 N 8.43 1.15 -0.23 3.71 0.00 -1.90 -2.23 119.26 128.19 1upx h ALA 278 Ca -0.27 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1upx h ALA 278 Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1upx h ALA 278 CO 0.66 0.15 0.00 -2.39 0.00 0.00 0.00 179.25 177.67 1upx n HIS 279 N -3.44 0.31 -2.77 0.00 1.44 -1.26 -4.71 115.22 104.78 1upx n HIS 279 Ca -0.01 -0.15 -0.43 0.00 -2.01 0.00 0.00 57.72 55.12 1upx n HIS 279 Cb 0.28 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.36 1upx n HIS 279 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1upx s PHE 280 N -1.69 2.72 0.00 -1.40 5.36 -0.84 -1.29 117.98 120.84 1upx s PHE 280 Ca 0.29 0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.31 1upx s PHE 280 Cb 0.16 -4.22 0.00 0.00 -0.34 0.00 0.00 43.02 38.62 1upx s PHE 280 CO 0.23 -1.46 0.00 1.63 -1.46 0.00 0.00 175.22 174.16 1upx n LYS 281 N 7.79 2.68 -0.16 10.12 4.76 0.51 -4.96 118.16 138.90 1upx n LYS 281 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1upx n LYS 281 Cb 0.48 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 1upx n LYS 281 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1upx n GLY 282 N 5.00 1.71 3.52 0.72 0.00 -1.26 -4.82 105.19 110.07 1upx n GLY 282 Ca 0.00 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 1upx n GLY 282 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1upx s ASN 283 N -1.00 4.99 -0.21 1.61 2.47 -0.39 -1.53 114.94 120.88 1upx s ASN 283 Ca 0.00 -0.10 -0.05 0.00 0.42 0.00 0.00 52.86 53.13 1upx s ASN 283 Cb 0.00 -1.83 -0.02 0.00 -1.45 0.00 0.00 41.25 37.94 1upx s ASN 283 CO 0.00 0.15 0.01 -0.47 -3.72 0.00 0.00 177.10 173.07 1upx s TYR 284 N 0.51 3.04 0.00 0.43 5.04 0.22 -4.32 117.35 122.27 1upx s TYR 284 Ca -0.01 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.12 1upx s TYR 284 Cb -0.14 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 40.05 1upx s TYR 284 CO 0.02 -0.29 0.00 0.41 -1.34 0.00 0.00 175.55 174.35 1upx n GLY 285 N 4.44 -0.27 0.00 8.97 0.00 -1.26 -4.56 105.19 112.52 1upx n GLY 285 Ca -0.17 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1upx n GLY 285 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1upx n ASN 286 N 0.92 0.00 -4.86 1.61 3.02 -1.26 -4.90 115.26 109.79 1upx n ASN 286 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1upx n ASN 286 Cb 0.00 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 1upx n ASN 286 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1upx s ALA 287 N -2.00 2.54 0.36 5.41 0.00 -1.26 -3.46 121.76 123.35 1upx s ALA 287 Ca 0.00 -0.47 0.16 0.00 0.00 0.00 0.00 51.96 51.65 1upx s ALA 287 Cb 0.00 -3.01 1.10 0.00 0.00 0.00 0.00 23.12 21.21 1upx s ALA 287 CO 0.00 -1.61 1.68 0.11 0.00 0.00 0.00 175.76 175.95 1upx h TRP 288 N -1.00 0.86 0.00 0.00 5.08 -1.93 -2.46 115.95 116.50 1upx h TRP 288 Ca -0.46 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.54 1upx h TRP 288 Cb 1.30 -0.23 0.00 0.00 -3.00 0.00 0.00 29.16 27.23 1upx h TRP 288 CO 0.39 -0.11 0.00 -2.67 -1.28 0.00 0.00 178.44 174.77 1upx n TRP 289 N -4.92 0.62 0.72 0.12 4.27 -1.26 -1.66 117.44 115.33 1upx n TRP 289 Ca 0.31 0.22 0.07 0.00 -3.89 0.00 0.00 57.50 54.20 1upx n TRP 289 Cb 0.99 -0.85 0.18 0.00 -1.36 0.00 0.00 31.31 30.27 1upx n TRP 289 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 1upx n LYS 290 N -2.04 1.93 0.22 -2.67 5.02 -0.93 -4.55 118.16 115.15 1upx n LYS 290 Ca 0.04 -1.45 0.09 0.00 -2.02 0.00 0.00 58.31 54.97 1upx n LYS 290 Cb 0.28 -1.32 0.45 0.00 -0.02 0.00 0.00 35.03 34.43 1upx n LYS 290 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1upx h GLN 291 N 2.37 0.00 -0.06 1.97 3.07 -1.50 -1.37 115.11 119.59 1upx h GLN 291 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1upx h GLN 291 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 1upx h GLN 291 CO 0.00 0.25 -0.08 0.87 0.09 0.00 0.00 178.83 179.96 1upx h LYS 292 N 0.00 0.09 0.04 0.06 1.57 -1.84 0.15 116.57 116.64 1upx h LYS 292 Ca -0.00 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1upx h LYS 292 Cb 0.75 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1upx h LYS 292 CO 0.03 0.18 -0.73 0.93 -0.57 0.00 0.00 179.45 179.30 1upx h GLU 293 N 0.09 0.07 0.03 3.15 3.07 -1.78 -3.33 114.58 115.89 1upx h GLU 293 Ca 0.02 -0.13 -0.23 0.00 -0.50 0.00 0.00 59.36 58.53 1upx h GLU 293 Cb 0.21 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1upx h GLU 293 CO 0.01 1.06 -0.98 0.93 -1.40 0.00 0.00 179.01 178.63 1upx h GLU 294 N -0.81 0.33 -0.47 2.33 5.08 -1.11 -1.86 114.58 118.07 1upx h GLU 294 Ca -0.18 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 57.73 1upx h GLU 294 Cb 1.30 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 1upx h GLU 294 CO -0.04 1.09 0.03 0.74 -1.00 0.00 0.00 179.01 179.83 1upx h PHE 295 N 0.17 0.80 0.44 4.33 0.04 -0.92 -1.13 116.94 120.66 1upx h PHE 295 Ca -0.08 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 1upx h PHE 295 Cb 1.64 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 39.57 1upx h PHE 295 CO 0.05 0.73 -0.22 1.49 -0.60 0.00 0.00 178.31 179.76 1upx h GLU 296 N 0.71 -0.58 0.00 1.51 4.81 -1.59 -3.10 114.58 116.35 1upx h GLU 296 Ca 0.15 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1upx h GLU 296 Cb 0.40 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1upx h GLU 296 CO 0.01 -0.38 0.00 0.66 -0.73 0.00 0.00 179.01 178.57 1upx h SER 297 N -0.60 0.00 0.21 1.04 4.64 -1.19 -2.51 113.55 115.14 1upx h SER 297 Ca -0.06 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 1upx h SER 297 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1upx h SER 297 CO 0.09 0.00 -0.24 0.15 -0.87 0.00 0.00 176.83 175.96 1upx h PHE 298 N 0.00 0.07 0.00 4.77 3.57 -1.12 -1.64 116.94 122.58 1upx h PHE 298 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1upx h PHE 298 Cb 0.47 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1upx h PHE 298 CO 0.00 0.30 0.00 0.09 -2.23 0.00 0.00 178.31 176.47 1upx n ASN 299 N -4.23 0.00 -4.46 0.41 3.02 -0.95 -3.55 115.26 105.51 1upx n ASN 299 Ca -0.02 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.27 1upx n ASN 299 Cb 0.31 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.62 1upx n ASN 299 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1upx s GLY 300 N 0.00 1.77 0.67 7.41 0.00 -1.26 -4.57 107.32 111.34 1upx s GLY 300 Ca 0.00 -1.52 -0.16 0.00 0.00 0.00 0.00 44.72 43.04 1upx s GLY 300 CO 0.00 -0.87 1.18 -4.14 0.00 0.00 0.00 173.10 169.28 1upx s PRO 301 N -5.45 2.56 -0.06 2.90 0.02 -1.24 -4.81 135.00 128.91 1upx s PRO 301 Ca 0.69 1.70 0.04 0.00 0.02 0.00 0.00 61.00 63.45 1upx s PRO 301 Cb -0.05 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1upx s PRO 301 CO 0.48 -1.50 -0.18 0.08 -0.33 0.00 0.00 177.00 175.55 1upx s VAL 302 N -1.94 1.56 -0.22 3.83 1.01 -0.30 -1.08 120.40 123.25 1upx s VAL 302 Ca 0.74 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1upx s VAL 302 Cb -0.27 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1upx s VAL 302 CO 0.40 0.45 -0.08 -0.22 0.00 0.00 0.00 175.10 175.65 1upx s LEU 303 N 0.27 2.86 -0.39 3.92 2.96 0.68 -0.46 118.68 128.53 1upx s LEU 303 Ca -0.10 -0.60 -0.16 0.00 -0.22 0.00 0.00 54.13 53.04 1upx s LEU 303 Cb -0.14 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.88 1upx s LEU 303 CO 0.04 -0.06 0.38 -0.76 -1.32 0.00 0.00 176.35 174.64 1upx s LEU 304 N 1.39 4.73 0.14 -0.68 2.01 0.13 -0.59 118.68 125.81 1upx s LEU 304 Ca 0.04 -0.54 0.17 0.00 0.01 0.00 0.00 54.13 53.81 1upx s LEU 304 Cb -0.15 -2.33 -0.06 0.00 0.01 0.00 0.00 46.19 43.66 1upx s LEU 304 CO -0.05 -0.46 1.02 0.71 1.01 0.00 0.00 176.35 178.57 1upx h THR 305 N 5.64 0.50 -2.58 5.49 1.35 -1.61 -2.31 112.91 119.39 1upx h THR 305 Ca -0.28 -1.88 -0.07 0.00 -0.55 0.00 0.00 66.41 63.63 1upx h THR 305 Cb 1.13 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 69.58 1upx h THR 305 CO 0.74 0.29 -0.02 0.35 -0.25 0.00 0.00 175.52 176.63 1upx n THR 306 N -2.94 0.00 -0.93 6.82 -2.24 -1.26 -4.59 114.28 109.14 1upx n THR 306 Ca -0.05 -0.52 -0.33 0.00 -2.27 0.00 0.00 64.05 60.88 1upx n THR 306 Cb 0.77 0.35 0.14 0.00 -2.10 0.00 0.00 70.33 69.49 1upx n THR 306 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1upx n ASN 307 N -1.78 0.66 -4.54 3.42 6.94 -1.26 -4.42 115.26 114.28 1upx n ASN 307 Ca -0.00 0.51 -0.36 0.00 -0.02 0.00 0.00 54.58 54.71 1upx n ASN 307 Cb 0.19 -1.49 -0.11 0.00 -2.36 0.00 0.00 39.78 36.01 1upx n ASN 307 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1upx s LEU 309 N 1.25 3.64 0.04 0.00 2.96 0.08 -4.92 118.68 121.74 1upx s LEU 309 Ca 0.05 -0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 1upx s LEU 309 Cb -0.14 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 1upx s LEU 309 CO 0.04 0.13 0.25 0.68 -1.32 0.00 0.00 176.35 176.14 1upx s VAL 310 N 0.60 5.33 -0.24 1.68 -7.23 -1.26 -4.62 120.40 114.66 1upx s VAL 310 Ca 0.02 -0.08 -0.39 0.00 -1.81 0.00 0.00 61.98 59.72 1upx s VAL 310 Cb -0.13 -3.59 -0.15 0.00 0.56 0.00 0.00 36.38 33.07 1upx s VAL 310 CO 0.02 0.23 1.79 -2.65 -0.31 0.00 0.00 175.10 174.18 1upx n PRO 311 N 0.66 1.38 -2.50 4.82 -0.02 -1.26 -4.85 135.00 133.24 1upx n PRO 311 Ca -0.08 0.50 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 1upx n PRO 311 Cb 0.52 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1upx n PRO 311 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1upx s PRO 312 N 3.75 3.74 0.49 0.52 0.04 -1.26 -5.02 135.00 137.26 1upx s PRO 312 Ca 0.98 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 63.17 1upx s PRO 312 Cb -0.99 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 1upx s PRO 312 CO 0.63 -0.49 1.20 0.15 0.04 0.00 0.00 177.00 178.53 1upx s LYS 313 N -3.27 3.55 0.59 4.56 1.02 -1.26 -4.85 119.74 120.08 1upx s LYS 313 Ca 0.68 1.85 0.29 0.00 0.02 0.00 0.00 55.97 58.80 1upx s LYS 313 Cb -0.17 -2.31 1.75 0.00 -0.52 0.00 0.00 37.83 36.59 1upx s LYS 313 CO 0.21 -0.75 2.20 -0.44 -0.92 0.00 0.00 175.35 175.65 1upx h ASP 314 N 1.77 0.00 -0.31 2.83 3.32 -1.99 -0.86 116.42 121.18 1upx h ASP 314 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1upx h ASP 314 Cb 1.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1upx h ASP 314 CO 0.59 0.00 0.20 0.77 -1.72 0.00 0.00 179.24 179.08 1upx h SER 315 N 0.00 0.36 0.00 6.45 4.64 -2.00 -3.23 113.55 119.76 1upx h SER 315 Ca 0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1upx h SER 315 Cb 0.18 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1upx h SER 315 CO -0.00 0.26 0.00 0.00 -0.87 0.00 0.00 176.83 176.22 1upx n TYR 316 N -4.49 0.00 -0.24 4.77 0.18 -0.97 -4.82 117.16 111.59 1upx n TYR 316 Ca 0.02 -0.10 0.10 0.00 1.88 0.00 0.00 57.90 59.80 1upx n TYR 316 Cb 0.07 -0.01 0.37 0.00 -0.38 0.00 0.00 39.34 39.39 1upx n TYR 316 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1upx h LYS 317 N 0.00 0.69 0.00 -3.48 3.64 -1.19 -0.56 116.57 115.67 1upx h LYS 317 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1upx h LYS 317 Cb 0.26 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1upx h LYS 317 CO 0.00 0.46 0.00 -3.47 -2.27 0.00 0.00 179.45 174.17 1upx n ASP 318 N -4.53 0.53 -0.58 4.20 -0.08 -1.26 -2.33 116.55 112.50 1upx n ASP 318 Ca 0.15 0.64 0.08 0.00 -1.51 0.00 0.00 54.79 54.15 1upx n ASP 318 Cb 0.40 -0.75 0.20 0.00 2.34 0.00 0.00 41.12 43.31 1upx n ASP 318 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1upx n ARG 319 N -2.10 2.48 -3.29 -0.67 1.85 -0.23 -4.95 116.66 109.76 1upx n ARG 319 Ca 0.02 -2.58 -0.39 0.00 -1.00 0.00 0.00 57.85 53.90 1upx n ARG 319 Cb 0.21 -1.62 -0.07 0.00 -1.05 0.00 0.00 32.46 29.93 1upx n ARG 319 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1upx s VAL 320 N -2.49 5.14 -0.10 8.89 1.01 -0.99 -1.15 120.40 130.72 1upx s VAL 320 Ca 0.34 0.92 0.03 0.00 0.00 0.00 0.00 61.98 63.27 1upx s VAL 320 Cb 0.27 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1upx s VAL 320 CO 0.08 0.23 -0.21 -0.31 0.00 0.00 0.00 175.10 174.89 1upx s TYR 321 N 1.27 2.62 0.24 5.22 1.51 0.39 -3.52 117.35 125.07 1upx s TYR 321 Ca 0.24 -0.88 0.06 0.00 -1.01 0.00 0.00 57.07 55.48 1upx s TYR 321 Cb -0.15 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1upx s TYR 321 CO 0.10 -0.33 0.25 0.95 -1.11 0.00 0.00 175.55 175.41 1upx s THR 322 N 0.27 4.76 0.30 -0.71 -4.23 0.00 -0.70 115.64 115.33 1upx s THR 322 Ca -0.15 -1.21 -0.11 0.00 -1.18 0.00 0.00 61.69 59.04 1upx s THR 322 Cb -0.17 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.12 1upx s THR 322 CO 0.07 -0.31 0.54 0.28 -0.54 0.00 0.00 174.62 174.66 1upx s THR 323 N -2.04 0.00 0.00 3.99 -1.32 -0.87 -0.25 115.64 115.16 1upx s THR 323 Ca 0.33 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.44 1upx s THR 323 Cb -0.09 -2.42 0.00 0.00 -1.51 0.00 0.00 72.50 68.48 1upx s THR 323 CO 0.26 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 1upx n GLY 324 N -0.46 2.99 0.76 6.08 0.00 -0.97 -1.89 105.19 111.70 1upx n GLY 324 Ca -0.02 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.84 1upx n GLY 324 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1upx n ILE 325 N 0.00 0.41 -2.73 -0.61 -6.64 -1.26 -4.76 119.36 103.77 1upx n ILE 325 Ca 0.00 -0.51 -0.38 0.00 -1.77 0.00 0.00 62.75 60.09 1upx n ILE 325 Cb 0.00 0.45 -0.06 0.00 -1.44 0.00 0.00 39.64 38.59 1upx n ILE 325 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 1upx s VAL 326 N -1.59 4.08 -0.09 7.28 1.01 -0.79 -4.50 120.40 125.79 1upx s VAL 326 Ca 0.32 1.79 -0.28 0.00 0.00 0.00 0.00 61.98 63.82 1upx s VAL 326 Cb 0.18 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.59 1upx s VAL 326 CO 0.25 0.21 0.64 -0.83 0.00 0.00 0.00 175.10 175.37 1upx s GLY 327 N -1.48 -0.52 -0.18 4.51 0.00 -0.78 -4.30 107.32 104.56 1upx s GLY 327 Ca 0.49 1.35 -0.10 0.00 0.00 0.00 0.00 44.72 46.46 1upx s GLY 327 CO 0.27 1.03 0.43 -0.12 0.00 0.00 0.00 173.10 174.71 1upx s PHE 328 N -0.87 -0.65 0.15 1.90 5.36 -1.26 -1.06 117.98 121.55 1upx s PHE 328 Ca -0.09 1.36 -0.31 0.00 -0.96 0.00 0.00 56.93 56.93 1upx s PHE 328 Cb -0.02 0.30 -0.11 0.00 -0.34 0.00 0.00 43.02 42.85 1upx s PHE 328 CO 0.07 -0.36 1.82 2.41 -1.46 0.00 0.00 175.22 177.70 1upx n THR 329 N 4.32 0.27 -0.18 0.12 -1.04 -1.26 -1.19 114.28 115.32 1upx n THR 329 Ca -0.22 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1upx n THR 329 Cb 0.55 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 1upx n THR 329 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1upx n GLY 330 N 4.19 0.85 3.66 3.41 0.00 -1.26 -5.05 105.19 110.99 1upx n GLY 330 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1upx n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upx n LYS 332 N 3.29 1.97 -4.90 0.00 5.02 -1.23 -4.70 118.16 117.60 1upx n LYS 332 Ca -0.17 0.70 -0.27 0.00 -2.02 0.00 0.00 58.31 56.55 1upx n LYS 332 Cb 0.53 -2.43 -0.16 0.00 -0.02 0.00 0.00 35.03 32.94 1upx n LYS 332 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1upx s HIS 333 N -1.20 1.86 -0.38 2.13 2.46 -1.26 -0.82 115.29 118.08 1upx s HIS 333 Ca 0.62 -0.58 -0.13 0.00 0.47 0.00 0.00 55.06 55.43 1upx s HIS 333 Cb -0.49 -1.26 0.01 0.00 -0.13 0.00 0.00 32.58 30.71 1upx s HIS 333 CO 0.57 -0.21 0.26 0.42 -2.47 0.00 0.00 174.74 173.31 1upx s ILE 334 N 0.11 5.10 0.39 0.89 1.01 0.66 -4.94 121.20 124.42 1upx s ILE 334 Ca -0.06 -0.57 -0.27 0.00 0.00 0.00 0.00 60.65 59.74 1upx s ILE 334 Cb -0.13 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 1upx s ILE 334 CO 0.03 -0.20 1.37 -2.16 0.00 0.00 0.00 174.94 173.99 1upx s PRO 335 N 1.66 4.03 0.00 2.79 0.04 -1.26 -3.96 135.00 138.30 1upx s PRO 335 Ca 0.05 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1upx s PRO 335 Cb -0.19 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1upx s PRO 335 CO 0.09 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1upx n GLY 336 N 0.63 3.71 0.01 0.56 0.00 -1.26 -4.81 105.19 104.02 1upx n GLY 336 Ca 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1upx n GLY 336 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1upx n GLU 337 N 0.00 1.91 -0.12 1.61 0.28 -1.26 -2.30 120.64 120.76 1upx n GLU 337 Ca 0.00 -1.19 0.07 0.00 -0.16 0.00 0.00 57.16 55.88 1upx n GLU 337 Cb 0.00 -0.84 0.10 0.00 1.43 0.00 0.00 31.44 32.13 1upx n GLU 337 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1upx n ILE 338 N -0.35 1.51 -1.00 3.84 -5.35 -1.26 -4.79 119.36 111.96 1upx n ILE 338 Ca 0.00 -1.79 0.00 0.00 -0.27 0.00 0.00 62.75 60.69 1upx n ILE 338 Cb 0.35 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 1upx n ILE 338 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1upx n GLY 339 N -1.12 0.76 3.59 3.28 0.00 -1.26 -4.52 105.19 105.91 1upx n GLY 339 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1upx n GLY 339 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1upx s GLU 340 N -0.01 0.03 0.19 1.61 1.03 -1.26 -4.90 118.70 115.40 1upx s GLU 340 Ca 0.00 0.99 -0.33 0.00 0.03 0.00 0.00 54.97 55.66 1upx s GLU 340 Cb 0.00 -1.65 -0.13 0.00 -0.80 0.00 0.00 34.13 31.54 1upx s GLU 340 CO 0.00 -3.13 1.59 1.58 -1.33 0.00 0.00 175.26 173.97 1upx n HIS 341 N -4.52 2.42 -5.04 4.83 -0.00 -1.26 -4.98 115.22 106.67 1upx n HIS 341 Ca 0.06 0.23 -0.32 0.00 -0.00 0.00 0.00 57.72 57.69 1upx n HIS 341 Cb 0.54 -2.57 -0.14 0.00 -0.00 0.00 0.00 29.99 27.82 1upx n HIS 341 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1upx s LYS 342 N 0.69 2.49 -0.47 1.57 1.02 -1.26 -4.98 119.74 118.79 1upx s LYS 342 Ca 0.75 -0.79 -0.19 0.00 0.02 0.00 0.00 55.97 55.77 1upx s LYS 342 Cb -0.62 -2.28 0.05 0.00 -0.52 0.00 0.00 37.83 34.45 1upx s LYS 342 CO 0.39 0.53 0.58 0.34 -0.92 0.00 0.00 175.35 176.27 1upx s ASP 343 N -0.51 6.23 -0.06 2.83 2.15 -1.26 -4.91 116.67 121.13 1upx s ASP 343 Ca 0.07 -0.78 0.17 0.00 0.43 0.00 0.00 52.55 52.43 1upx s ASP 343 Cb -0.11 -2.28 0.59 0.00 -0.30 0.00 0.00 42.92 40.82 1upx s ASP 343 CO 0.01 -0.79 1.48 0.49 -0.17 0.00 0.00 175.17 176.19 1upx n PHE 344 N 6.02 1.12 -0.32 -5.34 0.99 -1.26 -4.58 117.46 114.08 1upx n PHE 344 Ca -0.06 -0.47 0.03 0.00 -0.00 0.00 0.00 57.45 56.95 1upx n PHE 344 Cb 0.46 -0.14 0.21 0.00 -1.00 0.00 0.00 39.48 39.01 1upx n PHE 344 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1upx h SER 345 N 3.51 0.96 -0.32 4.37 4.64 -1.97 -1.64 113.55 123.10 1upx h SER 345 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1upx h SER 345 Cb 1.12 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1upx h SER 345 CO 0.13 0.62 -0.35 0.00 -0.87 0.00 0.00 176.83 176.37 1upx h ALA 346 N 1.49 0.68 -0.32 5.18 0.00 -2.00 -1.16 119.26 123.12 1upx h ALA 346 Ca 0.39 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1upx h ALA 346 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1upx h ALA 346 CO -0.14 0.67 -0.27 0.82 0.00 0.00 0.00 179.25 180.32 1upx h ILE 347 N 0.72 1.28 -0.38 0.00 2.04 -1.75 -0.84 117.51 118.58 1upx h ILE 347 Ca 0.07 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 1upx h ILE 347 Cb 0.91 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1upx h ILE 347 CO 0.08 0.45 0.05 0.40 0.00 0.00 0.00 178.15 179.13 1upx h ILE 348 N 0.56 1.24 -0.64 -0.67 2.04 -1.14 -0.32 117.51 118.59 1upx h ILE 348 Ca 0.07 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 1upx h ILE 348 Cb 0.76 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1upx h ILE 348 CO 0.06 0.30 0.34 0.00 0.00 0.00 0.00 178.15 178.85 1upx h ALA 349 N 0.91 0.82 -0.66 1.87 0.00 -1.06 -2.35 119.26 118.78 1upx h ALA 349 Ca 0.11 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1upx h ALA 349 Cb 0.39 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1upx h ALA 349 CO 0.01 0.34 0.42 1.25 0.00 0.00 0.00 179.25 181.27 1upx h HIS 350 N 0.87 0.79 -0.80 0.00 6.17 -0.90 -2.62 115.15 118.65 1upx h HIS 350 Ca 0.22 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.33 1upx h HIS 350 Cb 0.05 -0.26 -0.04 0.00 2.52 0.00 0.00 27.41 29.68 1upx h HIS 350 CO -0.01 0.47 0.53 0.00 0.71 0.00 0.00 177.93 179.63 1upx h ALA 351 N 1.27 1.43 0.00 5.26 0.00 -0.54 -1.32 119.26 125.36 1upx h ALA 351 Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1upx h ALA 351 Cb -0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1upx h ALA 351 CO -0.09 0.53 -0.03 0.87 0.00 0.00 0.00 179.25 180.53 1upx h LYS 352 N 1.08 0.00 -0.01 0.00 1.57 -1.08 -1.58 116.57 116.56 1upx h LYS 352 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1upx h LYS 352 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1upx h LYS 352 CO -0.06 0.03 -0.18 0.25 -0.57 0.00 0.00 179.45 178.91 1upx n THR 353 N -3.29 0.00 -3.99 -0.16 -2.24 -0.50 -4.93 114.28 99.17 1upx n THR 353 Ca -0.02 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.38 1upx n THR 353 Cb 0.17 0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 1upx n THR 353 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upx s PRO 355 N -3.18 2.02 0.92 0.00 0.02 -1.26 -4.70 135.00 128.82 1upx s PRO 355 Ca 0.33 1.58 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 1upx s PRO 355 Cb -0.11 -1.84 0.15 0.00 0.02 0.00 0.00 34.50 32.72 1upx s PRO 355 CO 0.27 -1.89 1.12 0.00 -0.33 0.00 0.00 177.00 176.17 1upx s ALA 356 N -2.30 1.34 0.54 -1.55 0.00 -1.26 -4.05 121.76 114.47 1upx s ALA 356 Ca 0.70 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.84 1upx s ALA 356 Cb -0.25 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1upx s ALA 356 CO 0.49 -2.72 1.29 -2.14 0.00 0.00 0.00 175.76 172.68 1upx s PRO 357 N -4.69 3.21 -0.18 0.00 0.02 -1.23 -4.76 135.00 127.37 1upx s PRO 357 Ca 0.66 2.06 -0.23 0.00 0.02 0.00 0.00 61.00 63.50 1upx s PRO 357 Cb -0.22 -2.21 -0.02 0.00 0.02 0.00 0.00 34.50 32.07 1upx s PRO 357 CO 0.58 -1.08 0.75 0.99 -0.33 0.00 0.00 177.00 177.91 1upx s THR 358 N -1.40 4.94 0.20 0.99 2.01 -0.62 -4.93 115.64 116.82 1upx s THR 358 Ca 0.71 1.45 -0.31 0.00 0.31 0.00 0.00 61.69 63.86 1upx s THR 358 Cb -0.36 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.00 1upx s THR 358 CO 0.42 0.06 1.42 -0.70 -0.69 0.00 0.00 174.62 175.14 1upx s GLU 359 N 2.04 4.30 -0.01 4.92 2.12 -1.26 -4.72 118.70 126.09 1upx s GLU 359 Ca 0.34 2.21 0.10 0.00 0.36 0.00 0.00 54.97 57.99 1upx s GLU 359 Cb -0.16 -3.16 -0.15 0.00 0.26 0.00 0.00 34.13 30.91 1upx s GLU 359 CO 0.12 -0.42 0.26 0.44 -0.54 0.00 0.00 175.26 175.11 1upx n ILE 360 N 3.01 0.00 -3.79 -3.70 -5.35 -1.26 -5.05 119.36 103.21 1upx n ILE 360 Ca 0.09 -0.24 -0.06 0.00 -0.27 0.00 0.00 62.75 62.26 1upx n ILE 360 Cb 0.41 0.38 -0.02 0.00 -1.74 0.00 0.00 39.64 38.67 1upx n ILE 360 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1upx s GLU 361 N -2.60 1.56 0.36 6.28 -1.05 -1.26 -5.13 118.70 116.86 1upx s GLU 361 Ca -0.03 -0.85 0.04 0.00 -0.15 0.00 0.00 54.97 53.98 1upx s GLU 361 Cb 0.07 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.27 1upx s GLU 361 CO 0.43 -0.71 0.13 -1.54 0.95 0.00 0.00 175.26 174.51 1upx s SER 362 N -2.91 2.25 0.00 0.83 1.04 -1.26 -3.33 113.70 110.31 1upx s SER 362 Ca 0.11 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 54.95 1upx s SER 362 Cb -0.04 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1upx s SER 362 CO 0.04 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1upx n GLY 363 N -0.75 -0.65 3.14 7.32 0.00 -1.26 -4.74 105.19 108.25 1upx n GLY 363 Ca -0.03 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 1upx n GLY 363 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upx s GLU 364 N 0.00 0.67 0.18 1.61 2.02 -1.26 -1.36 118.70 120.56 1upx s GLU 364 Ca 0.00 -0.90 0.08 0.00 0.02 0.00 0.00 54.97 54.17 1upx s GLU 364 Cb 0.00 0.26 -0.04 0.00 0.10 0.00 0.00 34.13 34.45 1upx s GLU 364 CO 0.00 -0.17 -0.17 0.96 0.02 0.00 0.00 175.26 175.90 1upx s ILE 365 N -3.22 1.80 -0.03 -1.63 -4.36 -0.47 -4.94 121.20 108.36 1upx s ILE 365 Ca 0.00 -2.02 0.03 0.00 -0.26 0.00 0.00 60.65 58.40 1upx s ILE 365 Cb 0.02 -1.91 -0.03 0.00 1.25 0.00 0.00 42.46 41.79 1upx s ILE 365 CO -0.07 -0.41 -0.10 -0.63 0.24 0.00 0.00 174.94 173.97 1upx s ILE 366 N -2.36 3.45 0.00 8.37 1.01 -1.26 -0.28 121.20 130.13 1upx s ILE 366 Ca 0.18 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1upx s ILE 366 Cb -0.04 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.00 1upx s ILE 366 CO 0.07 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1upx n GLY 367 N 1.95 2.02 0.00 6.18 0.00 -0.59 -4.62 105.19 110.13 1upx n GLY 367 Ca -0.17 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1upx n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upx n GLY 368 N 0.00 1.36 2.50 -0.02 0.00 -0.56 -0.71 105.19 107.77 1upx n GLY 368 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1upx n GLY 368 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1upx n PHE 369 N -1.37 2.37 -1.61 1.61 3.01 -0.34 -3.46 117.46 117.68 1upx n PHE 369 Ca 0.00 -2.57 -0.11 0.00 1.01 0.00 0.00 57.45 55.78 1upx n PHE 369 Cb 0.00 -1.66 0.07 0.00 -0.01 0.00 0.00 39.48 37.89 1upx n PHE 369 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1upx n ALA 370 N 1.31 -0.45 -0.18 4.37 0.00 -1.26 -3.99 120.51 120.32 1upx n ALA 370 Ca 0.58 -0.71 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1upx n ALA 370 Cb 0.32 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.78 1upx n ALA 370 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1upx h HIS 371 N -1.11 1.10 -0.51 0.00 2.07 -1.90 -1.21 115.15 113.59 1upx h HIS 371 Ca -0.16 -0.23 -0.01 0.00 -2.85 0.00 0.00 60.37 57.12 1upx h HIS 371 Cb 0.48 -0.27 -0.02 0.00 2.57 0.00 0.00 27.41 30.16 1upx h HIS 371 CO 0.00 1.04 0.29 -0.97 -3.07 0.00 0.00 177.93 175.22 1upx h ASN 372 N 0.85 0.62 -0.43 3.10 -1.24 -1.94 0.09 115.58 116.63 1upx h ASN 372 Ca 0.13 -0.07 -0.05 0.00 0.71 0.00 0.00 56.30 57.02 1upx h ASN 372 Cb 0.67 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 1upx h ASN 372 CO 0.05 0.51 0.05 -0.61 -1.29 0.00 0.00 177.43 176.14 1upx h GLN 373 N 0.68 0.72 -0.19 6.67 5.75 -1.66 -1.60 115.11 125.47 1upx h GLN 373 Ca 0.18 -0.20 -0.18 0.00 -0.15 0.00 0.00 58.65 58.30 1upx h GLN 373 Cb 0.02 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.49 1upx h GLN 373 CO -0.03 0.76 -0.62 0.28 -2.65 0.00 0.00 178.83 176.57 1upx h VAL 374 N 0.57 1.31 -0.01 2.39 2.07 -1.09 -2.80 116.25 118.68 1upx h VAL 374 Ca 0.13 -1.86 -0.05 0.00 0.82 0.00 0.00 66.70 65.74 1upx h VAL 374 Cb 0.40 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1upx h VAL 374 CO 0.01 0.59 -0.21 -0.07 0.02 0.00 0.00 177.57 177.90 1upx h LEU 375 N 0.49 0.01 -1.63 2.57 4.07 -0.87 -0.41 115.31 119.55 1upx h LEU 375 Ca -0.01 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 1upx h LEU 375 Cb 1.20 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 1upx h LEU 375 CO 0.12 0.23 -0.20 0.00 -1.08 0.00 0.00 178.44 177.50 1upx h ALA 376 N 1.78 1.35 -0.69 1.53 0.00 -1.04 -2.42 119.26 119.77 1upx h ALA 376 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1upx h ALA 376 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1upx h ALA 376 CO 0.03 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.81 1upx n LEU 377 N -3.84 3.91 -0.20 0.00 4.77 -0.28 -4.74 117.00 116.62 1upx n LEU 377 Ca -0.02 -1.93 -0.05 0.00 -0.03 0.00 0.00 56.01 53.98 1upx n LEU 377 Cb 0.30 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1upx n LEU 377 CO 0.34 0.96 1.10 0.00 -1.33 0.00 0.00 177.39 178.45 1upx h ALA 378 N 4.34 0.74 -0.94 -1.18 0.00 -0.70 -1.68 119.26 119.84 1upx h ALA 378 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1upx h ALA 378 Cb 0.99 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1upx h ALA 378 CO 0.00 0.10 0.61 -0.44 0.00 0.00 0.00 179.25 179.52 1upx h ASP 379 N 0.72 0.97 0.02 0.00 3.32 -1.85 0.12 116.42 119.72 1upx h ASP 379 Ca 0.23 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.10 1upx h ASP 379 Cb -0.01 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1upx h ASP 379 CO -0.08 0.63 -0.62 0.11 -1.72 0.00 0.00 179.24 177.56 1upx h LYS 380 N 1.12 0.59 -0.23 3.56 1.79 -1.70 -0.57 116.57 121.13 1upx h LYS 380 Ca 0.40 -0.41 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1upx h LYS 380 Cb 0.13 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1upx h LYS 380 CO -0.16 1.03 0.07 0.28 -1.08 0.00 0.00 179.45 179.60 1upx h VAL 381 N 0.44 1.19 -0.62 0.50 2.07 -0.87 -1.64 116.25 117.32 1upx h VAL 381 Ca -0.01 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1upx h VAL 381 Cb 1.20 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1upx h VAL 381 CO 0.12 0.19 0.37 0.40 0.02 0.00 0.00 177.57 178.67 1upx h ILE 382 N 0.20 1.19 -0.78 4.57 2.04 -0.69 -1.10 117.51 122.94 1upx h ILE 382 Ca 0.07 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1upx h ILE 382 Cb 0.23 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1upx h ILE 382 CO -0.00 0.20 0.37 0.44 0.00 0.00 0.00 178.15 179.15 1upx h ASP 383 N 0.84 1.02 -0.12 1.72 3.32 -1.02 -0.32 116.42 121.86 1upx h ASP 383 Ca 0.22 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1upx h ASP 383 Cb -0.00 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1upx h ASP 383 CO -0.04 0.86 -0.28 0.00 -1.72 0.00 0.00 179.24 178.07 1upx h ALA 384 N 1.29 0.98 -0.25 3.45 0.00 -0.75 -0.92 119.26 123.07 1upx h ALA 384 Ca 0.27 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1upx h ALA 384 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1upx h ALA 384 CO -0.03 0.60 -0.16 0.28 0.00 0.00 0.00 179.25 179.93 1upx h VAL 385 N 0.50 1.31 -0.43 0.00 2.07 -0.80 -0.91 116.25 117.99 1upx h VAL 385 Ca 0.07 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 1upx h VAL 385 Cb 0.74 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1upx h VAL 385 CO 0.06 0.40 0.09 0.11 0.02 0.00 0.00 177.57 178.24 1upx h LYS 386 N 0.26 0.66 0.00 1.57 1.57 -0.88 -2.63 116.57 117.11 1upx h LYS 386 Ca 0.05 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1upx h LYS 386 Cb 0.69 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1upx h LYS 386 CO 0.04 0.61 -0.16 -1.13 -0.57 0.00 0.00 179.45 178.25 1upx n SER 387 N -4.30 0.32 0.00 0.86 3.41 -0.37 -4.92 113.62 108.62 1upx n SER 387 Ca 0.03 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1upx n SER 387 Cb 0.21 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1upx n SER 387 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1upx n GLY 388 N 1.45 0.83 0.27 5.00 0.00 -0.99 -4.94 105.19 106.81 1upx n GLY 388 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1upx n GLY 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upx h ALA 389 N 0.00 0.87 -2.86 4.61 0.00 -1.46 -3.34 119.26 117.08 1upx h ALA 389 Ca 0.00 -0.05 -0.69 0.00 0.00 0.00 0.00 54.91 54.17 1upx h ALA 389 Cb 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 17.79 17.28 1upx h ALA 389 CO 0.00 0.30 -0.55 0.42 0.00 0.00 0.00 179.25 179.42 1upx s ILE 390 N -6.12 4.54 -0.02 0.00 1.01 -0.76 -4.66 121.20 115.20 1upx s ILE 390 Ca -0.13 -0.60 0.11 0.00 0.00 0.00 0.00 60.65 60.03 1upx s ILE 390 Cb 0.14 -3.40 -0.23 0.00 0.01 0.00 0.00 42.46 38.99 1upx s ILE 390 CO 0.77 -0.04 0.76 0.11 0.00 0.00 0.00 174.94 176.54 1upx h LYS 391 N 8.37 0.00 -2.21 2.79 1.79 -0.73 -3.38 116.57 123.20 1upx h LYS 391 Ca -0.30 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.10 1upx h LYS 391 Cb 1.13 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.58 1upx h LYS 391 CO 0.63 0.58 0.08 0.21 -1.08 0.00 0.00 179.45 179.87 1upx s LYS 392 N -2.62 0.92 -0.04 3.15 2.47 -1.23 -4.89 119.74 117.51 1upx s LYS 392 Ca -0.04 0.35 -0.03 0.00 -1.56 0.00 0.00 55.97 54.68 1upx s LYS 392 Cb 0.08 0.43 -0.04 0.00 -1.46 0.00 0.00 37.83 36.85 1upx s LYS 392 CO 0.82 -0.25 0.16 -0.06 0.16 0.00 0.00 175.35 176.19 1upx s PHE 393 N -0.83 3.53 -0.20 4.03 0.40 0.10 -1.51 117.98 123.50 1upx s PHE 393 Ca -0.09 0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.63 1upx s PHE 393 Cb -0.02 -1.85 0.04 0.00 0.51 0.00 0.00 43.02 41.71 1upx s PHE 393 CO 0.07 0.66 -0.10 0.08 0.70 0.00 0.00 175.22 176.63 1upx s VAL 394 N -1.23 1.60 -0.38 -0.44 1.01 0.27 -0.94 120.40 120.29 1upx s VAL 394 Ca 0.24 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1upx s VAL 394 Cb -0.12 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1upx s VAL 394 CO 0.14 0.16 1.10 -0.69 0.00 0.00 0.00 175.10 175.82 1upx s VAL 395 N 1.42 4.40 -0.17 2.92 1.01 0.62 -0.73 120.40 129.86 1upx s VAL 395 Ca -0.01 1.55 0.16 0.00 0.00 0.00 0.00 61.98 63.68 1upx s VAL 395 Cb -0.16 -4.48 0.38 0.00 0.00 0.00 0.00 36.38 32.11 1upx s VAL 395 CO -0.08 -0.67 1.23 0.23 0.00 0.00 0.00 175.10 175.81 1upx n MET 396 N 7.22 1.63 -0.70 2.72 2.81 -0.08 -0.37 117.12 130.36 1upx n MET 396 Ca 0.12 -2.86 -0.28 0.00 -1.81 0.00 0.00 57.70 52.86 1upx n MET 396 Cb 0.48 -1.61 0.23 0.00 -0.71 0.00 0.00 33.22 31.61 1upx n MET 396 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1upx s ALA 397 N -3.00 -0.10 0.00 3.04 0.00 -1.23 -4.55 121.76 115.91 1upx s ALA 397 Ca 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1upx s ALA 397 Cb 0.32 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1upx s ALA 397 CO 0.01 -3.59 0.00 0.41 0.00 0.00 0.00 175.76 172.59 1upx n GLY 398 N 0.34 0.53 3.19 0.00 0.00 -0.13 -2.54 105.19 106.58 1upx n GLY 398 Ca 0.04 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 1upx n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upx s ASP 400 N -0.17 3.43 0.14 0.00 2.15 -1.26 -3.36 116.67 117.60 1upx s ASP 400 Ca 0.00 0.16 -0.12 0.00 0.43 0.00 0.00 52.55 53.02 1upx s ASP 400 Cb -0.11 -0.29 0.04 0.00 -0.30 0.00 0.00 42.92 42.27 1upx s ASP 400 CO 0.01 -2.52 0.57 0.61 -0.17 0.00 0.00 175.17 173.68 1upx n GLY 401 N -3.55 1.02 0.13 2.66 0.00 -1.26 -4.66 105.19 99.53 1upx n GLY 401 Ca 0.15 -1.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.04 1upx n GLY 401 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1upx h ARG 402 N 0.00 0.10 -6.36 1.61 3.08 -1.99 -3.48 114.38 107.34 1upx h ARG 402 Ca -0.17 -0.09 -0.64 0.00 0.07 0.00 0.00 59.98 59.15 1upx h ARG 402 Cb 0.71 0.02 0.05 0.00 0.08 0.00 0.00 29.97 30.84 1upx h ARG 402 CO 0.23 0.79 0.64 0.00 -1.07 0.00 0.00 179.97 180.55 1upx n ALA 403 N -2.43 0.06 -0.25 0.04 0.00 -1.26 -4.84 120.51 111.82 1upx n ALA 403 Ca -0.02 0.47 0.17 0.00 0.00 0.00 0.00 53.44 54.07 1upx n ALA 403 Cb 0.71 -2.21 0.47 0.00 0.00 0.00 0.00 19.45 18.42 1upx n ALA 403 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1upx h LYS 404 N 5.41 0.48 -0.00 0.00 3.64 -2.05 -1.28 116.57 122.77 1upx h LYS 404 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1upx h LYS 404 Cb 1.30 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1upx h LYS 404 CO 0.84 0.32 0.02 0.66 -2.27 0.00 0.00 179.45 179.01 1upx h SER 405 N 0.49 0.00 0.38 4.20 4.64 -1.99 -2.27 113.55 119.00 1upx h SER 405 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1upx h SER 405 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1upx h SER 405 CO -0.20 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.30 1upx n ARG 406 N -3.13 0.15 -0.04 4.77 1.74 -0.48 -1.57 116.66 118.10 1upx n ARG 406 Ca -0.03 0.17 0.24 0.00 -0.77 0.00 0.00 57.85 57.46 1upx n ARG 406 Cb 0.09 -1.50 0.72 0.00 -1.02 0.00 0.00 32.46 30.75 1upx n ARG 406 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1upx h SER 407 N 0.00 0.00 -0.85 0.55 4.64 -1.62 -1.05 113.55 115.23 1upx h SER 407 Ca 0.00 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.53 1upx h SER 407 Cb 0.19 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.13 1upx h SER 407 CO 0.00 0.00 0.01 0.22 -0.87 0.00 0.00 176.83 176.19 1upx h TYR 408 N 0.00 -0.05 -0.25 4.77 3.20 -1.55 -0.87 116.97 122.21 1upx h TYR 408 Ca 0.31 0.06 -0.14 0.00 3.14 0.00 0.00 58.73 62.10 1upx h TYR 408 Cb 1.39 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.81 1upx h TYR 408 CO 0.00 -0.30 -0.42 1.88 -1.64 0.00 0.00 178.16 177.67 1upx h TYR 409 N 0.08 0.73 -0.22 -3.82 -1.99 -1.43 0.20 116.97 110.52 1upx h TYR 409 Ca 0.48 -0.22 -0.01 0.00 2.00 0.00 0.00 58.73 60.98 1upx h TYR 409 Cb 0.90 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.46 1upx h TYR 409 CO -0.46 0.93 0.08 1.15 -0.00 0.00 0.00 178.16 179.87 1upx h THR 410 N 0.50 1.17 -0.28 -2.88 2.02 -1.52 -1.73 112.91 110.19 1upx h THR 410 Ca 0.04 -0.52 -0.15 0.00 0.77 0.00 0.00 66.41 66.55 1upx h THR 410 Cb 0.94 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1upx h THR 410 CO 0.08 0.17 -0.42 0.44 0.37 0.00 0.00 175.52 176.16 1upx h ASP 411 N 0.20 0.73 -0.07 4.18 3.32 -0.91 -0.46 116.42 123.40 1upx h ASP 411 Ca 0.07 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 1upx h ASP 411 Cb 0.19 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1upx h ASP 411 CO -0.01 1.05 0.04 0.15 -1.72 0.00 0.00 179.24 178.75 1upx h PHE 412 N 0.55 0.10 -0.38 4.55 3.57 -0.60 -0.85 116.94 123.89 1upx h PHE 412 Ca 0.04 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1upx h PHE 412 Cb 0.96 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1upx h PHE 412 CO 0.05 0.18 0.20 0.00 -2.23 0.00 0.00 178.31 176.50 1upx h ALA 413 N 0.92 0.47 -0.30 2.41 0.00 -1.10 -1.62 119.26 120.04 1upx h ALA 413 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1upx h ALA 413 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1upx h ALA 413 CO -0.00 -0.15 -0.00 0.93 0.00 0.00 0.00 179.25 180.02 1upx h GLU 414 N 0.41 0.46 -0.00 0.00 5.08 -0.97 -2.90 114.58 116.66 1upx h GLU 414 Ca 0.15 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1upx h GLU 414 Cb 0.04 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1upx h GLU 414 CO -0.09 0.49 -0.35 0.41 -1.00 0.00 0.00 179.01 178.47 1upx n GLY 415 N -0.94 -1.30 3.77 -3.84 0.00 -0.33 -4.90 105.19 97.64 1upx n GLY 415 Ca 0.01 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1upx n GLY 415 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1upx n LEU 416 N -1.47 4.91 -4.71 0.99 4.77 -0.64 -4.96 117.00 115.89 1upx n LEU 416 Ca 0.06 1.19 -0.35 0.00 -0.03 0.00 0.00 56.01 56.88 1upx n LEU 416 Cb 0.34 -1.62 0.10 0.00 -2.33 0.00 0.00 43.42 39.90 1upx n LEU 416 CO 0.32 0.06 0.85 -2.84 -1.33 0.00 0.00 177.39 174.45 1upx s PRO 417 N -2.22 2.11 0.00 3.23 0.02 -1.26 -4.88 135.00 132.00 1upx s PRO 417 Ca 0.56 1.94 0.05 0.00 0.02 0.00 0.00 61.00 63.57 1upx s PRO 417 Cb -0.47 -1.81 0.29 0.00 0.02 0.00 0.00 34.50 32.54 1upx s PRO 417 CO 0.62 -1.90 1.11 1.63 -0.33 0.00 0.00 177.00 178.13 1upx n LYS 418 N -2.54 0.92 -0.73 5.54 5.02 -1.26 -2.36 118.16 122.74 1upx n LYS 418 Ca 0.15 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.52 1upx n LYS 418 Cb 0.49 -1.08 0.36 0.00 -0.02 0.00 0.00 35.03 34.78 1upx n LYS 418 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1upx n ASP 419 N -0.58 5.10 -4.48 4.39 5.68 -1.26 -4.83 116.55 120.57 1upx n ASP 419 Ca 0.04 -2.87 -0.28 0.00 -0.50 0.00 0.00 54.79 51.18 1upx n ASP 419 Cb 0.02 -0.63 -0.11 0.00 -1.14 0.00 0.00 41.12 39.26 1upx n ASP 419 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1upx s THR 420 N -2.62 2.70 -0.09 2.12 -4.23 -0.99 -0.22 115.64 112.31 1upx s THR 420 Ca 0.51 -1.75 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 1upx s THR 420 Cb 0.38 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.94 1upx s THR 420 CO 0.15 -0.03 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.30 1upx s VAL 421 N -1.45 1.87 -0.10 2.29 1.01 -0.57 -4.84 120.40 118.61 1upx s VAL 421 Ca 0.20 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 1upx s VAL 421 Cb -0.09 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1upx s VAL 421 CO 0.11 0.52 0.56 -0.63 0.00 0.00 0.00 175.10 175.66 1upx s ILE 422 N 0.34 5.13 -0.18 2.22 1.01 0.10 -0.56 121.20 129.26 1upx s ILE 422 Ca -0.16 1.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.57 1upx s ILE 422 Cb -0.17 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1upx s ILE 422 CO 0.07 0.30 0.04 -0.76 0.00 0.00 0.00 174.94 174.60 1upx s LEU 423 N 0.67 3.71 0.10 2.97 1.43 0.09 -0.61 118.68 127.04 1upx s LEU 423 Ca 0.30 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1upx s LEU 423 Cb -0.16 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1upx s LEU 423 CO 0.13 0.17 0.02 0.28 0.23 0.00 0.00 176.35 177.18 1upx s THR 424 N 0.39 0.20 -0.19 5.49 -1.32 -0.29 -0.90 115.64 119.01 1upx s THR 424 Ca 0.02 -1.88 -0.29 0.00 -1.21 0.00 0.00 61.69 58.33 1upx s THR 424 Cb -0.13 -1.85 0.13 0.00 -1.51 0.00 0.00 72.50 69.14 1upx s THR 424 CO 0.01 -0.67 1.02 0.00 -2.21 0.00 0.00 174.62 172.77 1upx s ALA 425 N -3.96 -1.95 0.00 11.08 0.00 -1.26 -0.74 121.76 124.93 1upx s ALA 425 Ca 0.18 1.66 0.00 0.00 0.00 0.00 0.00 51.96 53.80 1upx s ALA 425 Cb 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1upx s ALA 425 CO -0.03 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1upx n GLY 426 N 1.09 -1.60 0.00 0.00 0.00 -0.48 -0.95 105.19 103.25 1upx n GLY 426 Ca -0.11 -1.56 0.10 0.00 0.00 0.00 0.00 46.02 44.46 1upx n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upx h ALA 428 N 2.90 2.65 -0.52 0.00 0.00 -1.58 -2.10 119.26 120.62 1upx h ALA 428 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1upx h ALA 428 Cb 0.21 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1upx h ALA 428 CO 0.00 -1.04 0.41 1.57 0.00 0.00 0.00 179.25 180.19 1upx h LYS 429 N 0.00 0.00 0.00 0.00 2.10 -1.68 -2.43 116.57 114.56 1upx h LYS 429 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1upx h LYS 429 Cb 1.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.98 1upx h LYS 429 CO -0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1upx n TYR 430 N -4.18 0.51 0.48 0.07 4.02 -0.79 -0.83 117.16 116.44 1upx n TYR 430 Ca 0.10 0.19 0.12 0.00 -0.01 0.00 0.00 57.90 58.30 1upx n TYR 430 Cb 0.63 -0.81 0.46 0.00 -0.02 0.00 0.00 39.34 39.60 1upx n TYR 430 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1upx n ARG 431 N -1.96 0.21 0.00 -0.72 5.12 -0.91 -4.24 116.66 114.16 1upx n ARG 431 Ca 0.03 0.35 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1upx n ARG 431 Cb 0.23 -1.84 0.00 0.00 -1.16 0.00 0.00 32.46 29.69 1upx n ARG 431 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 1upx n TYR 432 N -2.22 0.00 1.48 -1.55 0.18 -0.65 -3.92 117.16 110.48 1upx n TYR 432 Ca 0.03 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.94 1upx n TYR 432 Cb 0.29 0.03 0.51 0.00 -0.38 0.00 0.00 39.34 39.80 1upx n TYR 432 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 1upx n ASN 433 N 0.00 1.33 -0.65 9.48 6.94 -0.01 -3.19 115.26 129.15 1upx n ASN 433 Ca 0.00 -1.52 0.06 0.00 -0.02 0.00 0.00 54.58 53.10 1upx n ASN 433 Cb 0.38 -0.04 0.17 0.00 -2.36 0.00 0.00 39.78 37.93 1upx n ASN 433 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1upx n LYS 434 N 0.06 2.86 -2.81 -3.83 4.76 -1.26 -4.90 118.16 113.04 1upx n LYS 434 Ca 0.18 -2.24 -0.22 0.00 -2.87 0.00 0.00 58.31 53.16 1upx n LYS 434 Cb 0.31 -1.41 0.02 0.00 -1.84 0.00 0.00 35.03 32.10 1upx n LYS 434 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1upx s LEU 435 N -1.55 3.46 -0.99 -0.35 1.43 -1.19 -5.04 118.68 114.45 1upx s LEU 435 Ca 0.27 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.49 1upx s LEU 435 Cb 0.18 -3.04 0.26 0.00 0.03 0.00 0.00 46.19 43.62 1upx s LEU 435 CO 0.12 -0.92 1.00 -3.20 0.23 0.00 0.00 176.35 173.59 1upx n ASN 436 N -2.22 4.98 0.02 2.29 5.15 -1.26 -4.85 115.26 119.36 1upx n ASN 436 Ca 0.04 -3.15 0.11 0.00 -0.60 0.00 0.00 54.58 50.98 1upx n ASN 436 Cb 0.59 -1.18 0.07 0.00 -0.53 0.00 0.00 39.78 38.73 1upx n ASN 436 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1upx n LEU 437 N 2.22 0.65 0.00 1.20 4.77 -1.26 -5.06 117.00 119.51 1upx n LEU 437 Ca 0.24 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1upx n LEU 437 Cb 0.37 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1upx n LEU 437 CO 0.45 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1upx n GLY 438 N 1.43 -0.40 3.32 -0.72 0.00 -1.26 -4.75 105.19 102.81 1upx n GLY 438 Ca 0.03 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 1upx n GLY 438 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1upx s ASP 439 N -4.00 -0.06 -0.23 1.61 -4.77 -1.26 -1.41 116.67 106.55 1upx s ASP 439 Ca 0.00 -0.60 0.02 0.00 -3.30 0.00 0.00 52.55 48.67 1upx s ASP 439 Cb 0.00 0.44 0.05 0.00 -1.09 0.00 0.00 42.92 42.33 1upx s ASP 439 CO 0.00 -0.86 -0.09 -0.63 0.70 0.00 0.00 175.17 174.29 1upx s ILE 440 N -3.88 1.78 -1.41 2.11 1.01 0.18 -4.74 121.20 116.26 1upx s ILE 440 Ca 0.09 -1.29 -0.04 0.00 0.00 0.00 0.00 60.65 59.40 1upx s ILE 440 Cb 0.03 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1upx s ILE 440 CO -0.07 0.01 0.37 0.61 0.00 0.00 0.00 174.94 175.86 1upx n GLY 441 N 4.59 -0.51 2.01 6.18 0.00 -1.26 -1.04 105.19 115.17 1upx n GLY 441 Ca -0.14 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1upx n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upx n GLY 442 N -1.21 2.19 3.66 -0.02 0.00 -1.26 -5.02 105.19 103.54 1upx n GLY 442 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1upx n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upx s ILE 443 N -2.40 4.69 0.50 -0.61 1.01 -0.21 -5.01 121.20 119.18 1upx s ILE 443 Ca 0.00 2.02 -0.22 0.00 0.00 0.00 0.00 60.65 62.45 1upx s ILE 443 Cb 0.00 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.09 1upx s ILE 443 CO 0.00 -0.15 1.15 -2.65 0.00 0.00 0.00 174.94 173.29 1upx n PRO 444 N 6.13 1.47 0.00 2.79 -0.02 -1.26 -0.64 135.00 143.46 1upx n PRO 444 Ca 0.12 0.54 0.14 0.00 -2.02 0.00 0.00 63.50 62.27 1upx n PRO 444 Cb 0.46 -2.30 0.70 0.00 -0.02 0.00 0.00 33.50 32.34 1upx n PRO 444 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1upx n ARG 445 N -0.49 0.30 -4.06 -0.52 1.74 -0.50 -4.36 116.66 108.78 1upx n ARG 445 Ca 0.10 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.88 1upx n ARG 445 Cb 0.43 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.21 1upx n ARG 445 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1upx s VAL 446 N -2.69 1.80 -0.37 1.55 1.01 -1.26 0.02 120.40 120.47 1upx s VAL 446 Ca 0.24 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1upx s VAL 446 Cb 0.19 -1.68 0.07 0.00 0.00 0.00 0.00 36.38 34.97 1upx s VAL 446 CO 0.47 0.46 0.14 -0.76 0.00 0.00 0.00 175.10 175.41 1upx s LEU 447 N 1.39 4.69 -0.42 3.92 1.43 0.22 -4.93 118.68 124.97 1upx s LEU 447 Ca 0.04 -1.52 -0.20 0.00 -1.03 0.00 0.00 54.13 51.43 1upx s LEU 447 Cb -0.13 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1upx s LEU 447 CO -0.11 -0.42 0.58 -0.62 0.23 0.00 0.00 176.35 176.00 1upx s ASP 448 N 1.66 6.29 0.34 2.29 2.15 -1.26 -1.14 116.67 127.00 1upx s ASP 448 Ca 0.01 -0.39 0.24 0.00 0.43 0.00 0.00 52.55 52.85 1upx s ASP 448 Cb -0.21 -2.29 0.45 0.00 -0.30 0.00 0.00 42.92 40.57 1upx s ASP 448 CO -0.00 -0.70 1.60 0.00 -0.17 0.00 0.00 175.17 175.90 1upx h ALA 449 N 8.79 0.94 0.00 3.66 0.00 -1.06 -0.59 119.26 131.00 1upx h ALA 449 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1upx h ALA 449 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1upx h ALA 449 CO 0.86 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.52 1upx n GLY 450 N 1.18 0.50 3.89 0.00 0.00 -1.26 -4.13 105.19 105.38 1upx n GLY 450 Ca 0.04 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1upx n GLY 450 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1upx s GLN 451 N -0.64 1.24 0.35 1.61 -0.21 -1.26 -1.38 119.66 119.36 1upx s GLN 451 Ca 0.00 -0.07 0.06 0.00 0.02 0.00 0.00 55.36 55.37 1upx s GLN 451 Cb 0.00 -1.88 0.72 0.00 1.00 0.00 0.00 33.01 32.85 1upx s GLN 451 CO 0.00 -2.06 1.91 0.00 -2.12 0.00 0.00 175.29 173.02 1upx h ASN 453 N 0.79 0.00 0.00 0.00 -1.07 -1.93 -1.08 115.58 112.30 1upx h ASN 453 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.75 1upx h ASN 453 Cb 0.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 1upx h ASN 453 CO -0.15 0.00 0.00 0.47 0.07 0.00 0.00 177.43 177.82 1upx n ASP 454 N -3.95 0.00 -0.06 6.14 8.00 0.57 -1.94 116.55 125.31 1upx n ASP 454 Ca -0.03 -1.06 0.24 0.00 0.71 0.00 0.00 54.79 54.65 1upx n ASP 454 Cb 0.08 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 41.90 1upx n ASP 454 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1upx h SER 455 N 0.00 0.00 -0.52 -2.24 0.02 -1.24 -0.58 113.55 109.00 1upx h SER 455 Ca 0.00 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1upx h SER 455 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 1upx h SER 455 CO 0.00 0.00 -0.05 0.22 -1.14 0.00 0.00 176.83 175.86 1upx h TYR 456 N 0.00 -0.12 -0.97 3.45 3.20 -1.62 -1.48 116.97 119.42 1upx h TYR 456 Ca 0.32 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.29 1upx h TYR 456 Cb 1.36 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.71 1upx h TYR 456 CO 0.00 -0.16 0.62 0.77 -1.64 0.00 0.00 178.16 177.75 1upx h SER 457 N 0.07 1.01 -0.81 -2.11 0.02 -1.34 -0.19 113.55 110.19 1upx h SER 457 Ca 0.26 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1upx h SER 457 Cb 0.40 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 1upx h SER 457 CO -0.47 0.66 0.36 -0.07 -1.14 0.00 0.00 176.83 176.16 1upx h LEU 458 N 1.15 1.09 -0.52 5.07 3.38 -1.20 0.64 115.31 124.92 1upx h LEU 458 Ca 0.41 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 1upx h LEU 458 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1upx h LEU 458 CO -0.16 0.94 0.12 0.00 0.09 0.00 0.00 178.44 179.43 1upx h ALA 459 N 1.19 0.69 -0.76 1.53 0.00 -0.69 -0.71 119.26 120.52 1upx h ALA 459 Ca 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1upx h ALA 459 Cb 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1upx h ALA 459 CO -0.03 0.40 0.42 0.28 0.00 0.00 0.00 179.25 180.31 1upx h VAL 460 N 0.73 1.23 -0.28 0.00 2.07 -0.59 -0.37 116.25 119.04 1upx h VAL 460 Ca 0.16 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1upx h VAL 460 Cb 0.35 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1upx h VAL 460 CO 0.00 0.25 0.05 0.40 0.02 0.00 0.00 177.57 178.29 1upx h ILE 461 N 1.05 1.23 -0.61 4.57 2.04 -0.70 -0.67 117.51 124.41 1upx h ILE 461 Ca 0.27 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1upx h ILE 461 Cb 0.03 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1upx h ILE 461 CO -0.04 0.25 0.39 0.00 0.00 0.00 0.00 178.15 178.75 1upx h ALA 462 N 0.87 0.78 -0.16 1.87 0.00 -0.79 -0.89 119.26 120.94 1upx h ALA 462 Ca 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1upx h ALA 462 Cb 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1upx h ALA 462 CO 0.01 0.23 -0.28 -0.07 0.00 0.00 0.00 179.25 179.14 1upx h LEU 463 N 0.83 0.30 -0.23 0.00 3.38 -0.90 -0.39 115.31 118.31 1upx h LEU 463 Ca 0.22 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1upx h LEU 463 Cb -0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1upx h LEU 463 CO -0.05 0.59 0.05 0.50 0.09 0.00 0.00 178.44 179.62 1upx h LYS 464 N 0.27 0.37 -0.87 1.13 1.63 -0.56 -1.93 116.57 116.61 1upx h LYS 464 Ca 0.04 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1upx h LYS 464 Cb 0.64 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.19 1upx h LYS 464 CO 0.05 0.48 0.43 -0.07 -3.45 0.00 0.00 179.45 176.89 1upx h LEU 465 N 0.19 1.13 -0.64 5.20 3.38 -0.86 -0.32 115.31 123.38 1upx h LEU 465 Ca 0.07 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1upx h LEU 465 Cb 0.28 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1upx h LEU 465 CO 0.00 0.94 0.34 0.50 0.09 0.00 0.00 178.44 180.31 1upx h LYS 466 N 1.23 0.61 -0.17 1.13 3.64 -0.94 -1.36 116.57 120.71 1upx h LYS 466 Ca 0.30 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1upx h LYS 466 Cb 0.10 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1upx h LYS 466 CO -0.04 0.40 -0.03 1.49 -2.27 0.00 0.00 179.45 179.00 1upx h GLU 467 N 0.62 0.32 -0.46 1.90 4.81 -0.57 -1.28 114.58 119.93 1upx h GLU 467 Ca 0.29 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1upx h GLU 467 Cb 0.21 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1upx h GLU 467 CO -0.20 0.58 -0.03 0.28 -0.73 0.00 0.00 179.01 178.91 1upx h VAL 468 N 0.04 1.25 -0.00 0.32 2.07 -0.89 -1.91 116.25 117.12 1upx h VAL 468 Ca 0.04 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1upx h VAL 468 Cb 0.46 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1upx h VAL 468 CO 0.02 0.37 -0.06 0.49 0.02 0.00 0.00 177.57 178.40 1upx n PHE 469 N -4.20 0.00 -2.51 1.57 3.01 -0.53 -4.93 117.46 109.88 1upx n PHE 469 Ca 0.02 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.33 1upx n PHE 469 Cb 0.32 -0.19 0.01 0.00 -0.01 0.00 0.00 39.48 39.60 1upx n PHE 469 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1upx n GLY 470 N 1.25 -0.19 3.82 1.37 0.00 -0.72 -4.98 105.19 105.74 1upx n GLY 470 Ca 0.15 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1upx n GLY 470 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upx s LEU 471 N -4.42 4.35 0.27 0.99 1.43 -0.56 -4.98 118.68 115.77 1upx s LEU 471 Ca 0.10 1.37 0.15 0.00 -1.03 0.00 0.00 54.13 54.72 1upx s LEU 471 Cb -0.04 -3.51 0.05 0.00 0.03 0.00 0.00 46.19 42.72 1upx s LEU 471 CO 0.12 0.05 1.41 -0.33 0.23 0.00 0.00 176.35 177.84 1upx h GLU 472 N 3.50 0.00 -4.31 1.70 4.39 -1.94 -3.45 114.58 114.47 1upx h GLU 472 Ca -0.48 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.72 1upx h GLU 472 Cb 1.19 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 29.49 1upx h GLU 472 CO 0.65 0.49 -0.80 0.34 -1.16 0.00 0.00 179.01 178.54 1upx s ASP 473 N -6.43 1.79 0.56 1.42 -1.08 -1.26 -5.01 116.67 106.66 1upx s ASP 473 Ca 0.04 -0.26 0.25 0.00 -0.52 0.00 0.00 52.55 52.05 1upx s ASP 473 Cb 0.08 -0.76 1.55 0.00 -1.46 0.00 0.00 42.92 42.33 1upx s ASP 473 CO 0.75 -0.05 2.13 1.62 0.52 0.00 0.00 175.17 180.14 1upx h VAL 474 N 6.09 0.66 0.00 1.11 3.04 -1.91 -1.54 116.25 123.70 1upx h VAL 474 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1upx h VAL 474 Cb 1.16 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1upx h VAL 474 CO 0.44 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.59 1upx n ASN 475 N -4.09 0.00 -0.40 3.17 3.02 -1.26 -2.45 115.26 113.24 1upx n ASN 475 Ca 0.01 0.38 0.14 0.00 -0.03 0.00 0.00 54.58 55.08 1upx n ASN 475 Cb 0.26 -0.45 0.58 0.00 -0.61 0.00 0.00 39.78 39.56 1upx n ASN 475 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1upx n ASP 476 N -1.45 1.24 -4.79 6.41 8.00 -0.58 -4.83 116.55 120.55 1upx n ASP 476 Ca 0.06 -1.44 -0.33 0.00 0.71 0.00 0.00 54.79 53.78 1upx n ASP 476 Cb 0.20 -0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.31 1upx n ASP 476 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1upx s LEU 477 N -1.94 3.50 -1.50 0.64 1.43 -1.03 -4.94 118.68 114.85 1upx s LEU 477 Ca 0.39 1.93 -0.13 0.00 -1.03 0.00 0.00 54.13 55.29 1upx s LEU 477 Cb 0.21 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.89 1upx s LEU 477 CO 0.33 -1.34 2.40 -0.81 0.23 0.00 0.00 176.35 177.16 1upx n PRO 478 N -2.06 3.08 -4.32 1.29 -0.04 -1.26 -4.86 135.00 126.82 1upx n PRO 478 Ca 0.10 -2.52 -0.22 0.00 -0.04 0.00 0.00 63.50 60.81 1upx n PRO 478 Cb 0.52 -3.16 -0.16 0.00 -0.04 0.00 0.00 33.50 30.66 1upx n PRO 478 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1upx s ILE 479 N 2.89 0.79 -0.06 0.52 1.01 -1.26 -0.72 121.20 124.37 1upx s ILE 479 Ca 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.91 1upx s ILE 479 Cb 0.15 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 1upx s ILE 479 CO -0.08 0.28 -0.03 -0.69 0.00 0.00 0.00 174.94 174.42 1upx s VAL 480 N 0.85 3.99 -0.30 2.92 1.01 -0.11 -4.98 120.40 123.78 1upx s VAL 480 Ca -0.12 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1upx s VAL 480 Cb -0.15 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.60 1upx s VAL 480 CO 0.01 0.55 0.02 -0.31 0.00 0.00 0.00 175.10 175.37 1upx s TYR 481 N -0.89 3.22 -0.61 5.22 1.51 -1.26 -0.27 117.35 124.27 1upx s TYR 481 Ca 0.14 -1.67 0.05 0.00 -1.01 0.00 0.00 57.07 54.58 1upx s TYR 481 Cb -0.11 -2.14 0.18 0.00 -0.11 0.00 0.00 41.96 39.77 1upx s TYR 481 CO 0.03 -0.76 0.47 -1.71 -1.11 0.00 0.00 175.55 172.48 1upx n ASN 482 N 4.69 2.03 -4.81 2.29 2.85 0.50 -0.94 115.26 121.87 1upx n ASN 482 Ca -0.14 -2.98 -0.37 0.00 -0.11 0.00 0.00 54.58 50.98 1upx n ASN 482 Cb 0.44 -0.69 -0.06 0.00 1.24 0.00 0.00 39.78 40.71 1upx n ASN 482 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1upx s ILE 483 N -1.12 5.27 -0.06 -1.44 1.01 -0.01 -4.17 121.20 120.68 1upx s ILE 483 Ca 0.29 0.55 -0.03 0.00 0.00 0.00 0.00 60.65 61.45 1upx s ILE 483 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1upx s ILE 483 CO -0.16 0.53 0.10 0.00 0.00 0.00 0.00 174.94 175.41 1upx s ALA 484 N -0.57 3.68 0.13 9.38 0.00 -1.05 -1.65 121.76 131.67 1upx s ALA 484 Ca 0.19 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1upx s ALA 484 Cb -0.14 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1upx s ALA 484 CO 0.07 0.66 -0.11 1.67 0.00 0.00 0.00 175.76 178.05 1upx s TRP 485 N -1.10 1.22 0.19 0.00 1.48 -0.48 -1.20 118.94 119.05 1upx s TRP 485 Ca 0.19 -0.71 0.00 0.00 -1.06 0.00 0.00 56.10 54.52 1upx s TRP 485 Cb -0.12 -0.63 0.00 0.00 -1.16 0.00 0.00 33.47 31.56 1upx s TRP 485 CO 0.09 0.06 0.00 0.98 -4.06 0.00 0.00 176.95 174.02 1upx n TYR 486 N 0.10 -1.64 -2.26 1.66 9.36 -1.25 -4.63 117.16 118.51 1upx n TYR 486 Ca -0.12 0.29 0.00 0.00 3.32 0.00 0.00 57.90 61.38 1upx n TYR 486 Cb 0.59 0.53 0.00 0.00 -0.63 0.00 0.00 39.34 39.84 1upx n TYR 486 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1upx n GLU 487 N -3.16 3.20 0.11 2.98 -0.00 -1.26 -1.08 120.64 121.43 1upx n GLU 487 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.16 57.23 1upx n GLU 487 Cb 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.47 1upx n GLU 487 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1upx h GLN 488 N 0.00 0.00 -0.73 3.44 7.50 -1.86 -2.95 115.11 120.50 1upx h GLN 488 Ca 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 1upx h GLN 488 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.50 1upx h GLN 488 CO 0.00 0.17 0.36 0.87 -1.50 0.00 0.00 178.83 178.72 1upx h LYS 489 N 0.00 1.04 -0.39 1.46 1.57 -1.80 -1.95 116.57 116.49 1upx h LYS 489 Ca -0.04 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1upx h LYS 489 Cb 1.22 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1upx h LYS 489 CO 0.02 0.80 0.07 0.00 -0.57 0.00 0.00 179.45 179.77 1upx h ALA 490 N 1.36 1.38 -0.30 3.86 0.00 -1.72 -1.66 119.26 122.18 1upx h ALA 490 Ca 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1upx h ALA 490 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1upx h ALA 490 CO -0.03 0.44 0.15 0.28 0.00 0.00 0.00 179.25 180.08 1upx h VAL 491 N 0.58 1.15 -0.21 0.00 2.07 -1.26 -0.37 116.25 118.21 1upx h VAL 491 Ca 0.13 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1upx h VAL 491 Cb 0.27 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1upx h VAL 491 CO 0.00 0.15 -0.28 -0.29 0.02 0.00 0.00 177.57 177.18 1upx h ILE 492 N 0.36 1.27 -0.53 4.57 6.09 -1.04 -1.05 117.51 127.17 1upx h ILE 492 Ca 0.10 -1.28 -0.02 0.00 -1.37 0.00 0.00 64.86 62.29 1upx h ILE 492 Cb 0.11 1.41 -0.02 0.00 0.47 0.00 0.00 36.82 38.79 1upx h ILE 492 CO -0.01 0.40 0.24 0.58 -3.07 0.00 0.00 178.15 176.29 1upx h VAL 493 N 0.36 1.20 -0.11 2.19 2.07 -1.06 0.93 116.25 121.83 1upx h VAL 493 Ca 0.05 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1upx h VAL 493 Cb 0.67 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1upx h VAL 493 CO 0.05 0.23 0.07 0.25 0.02 0.00 0.00 177.57 178.19 1upx h LEU 494 N 0.71 0.13 -1.03 2.57 5.85 -0.70 -0.74 115.31 122.09 1upx h LEU 494 Ca 0.18 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1upx h LEU 494 Cb 0.14 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1upx h LEU 494 CO -0.02 0.12 0.27 -0.07 -0.34 0.00 0.00 178.44 178.40 1upx h LEU 495 N 0.12 0.88 -0.23 2.25 3.38 -0.99 -0.83 115.31 119.90 1upx h LEU 495 Ca 0.04 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1upx h LEU 495 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1upx h LEU 495 CO -0.01 0.78 0.14 0.00 0.09 0.00 0.00 178.44 179.44 1upx h ALA 496 N 1.35 0.29 -0.76 1.53 0.00 -0.48 -0.04 119.26 121.15 1upx h ALA 496 Ca 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1upx h ALA 496 Cb 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1upx h ALA 496 CO -0.02 -0.25 0.37 -0.07 0.00 0.00 0.00 179.25 179.28 1upx h LEU 497 N 0.29 0.99 -0.88 0.00 3.38 -0.63 -1.82 115.31 116.64 1upx h LEU 497 Ca 0.09 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1upx h LEU 497 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1upx h LEU 497 CO -0.03 0.84 0.15 -0.07 0.09 0.00 0.00 178.44 179.41 1upx h LEU 498 N 1.07 0.92 -1.59 1.67 3.38 -0.91 -1.86 115.31 118.00 1upx h LEU 498 Ca 0.26 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1upx h LEU 498 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1upx h LEU 498 CO -0.03 0.89 -0.21 0.77 0.09 0.00 0.00 178.44 179.95 1upx h SER 499 N 0.94 0.00 0.04 -0.43 4.64 -0.49 -1.55 113.55 116.70 1upx h SER 499 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1upx h SER 499 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1upx h SER 499 CO 0.00 0.21 -0.02 0.18 -0.87 0.00 0.00 176.83 176.34 1upx n LEU 500 N -3.80 0.71 0.00 5.97 4.77 -0.73 -4.92 117.00 119.00 1upx n LEU 500 Ca -0.02 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1upx n LEU 500 Cb 0.31 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1upx n LEU 500 CO 0.34 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1upx n GLY 501 N 1.11 0.69 3.68 -0.72 0.00 -0.58 -4.97 105.19 104.40 1upx n GLY 501 Ca 0.21 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1upx n GLY 501 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upx s VAL 502 N -2.00 4.18 0.41 1.61 1.01 -0.76 -4.78 120.40 120.07 1upx s VAL 502 Ca 0.00 1.50 0.08 0.00 0.00 0.00 0.00 61.98 63.56 1upx s VAL 502 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1upx s VAL 502 CO 0.00 -0.02 0.24 -0.54 0.00 0.00 0.00 175.10 174.78 1upx s LYS 503 N 2.43 2.35 -1.04 2.72 1.02 -1.26 -4.50 119.74 121.45 1upx s LYS 503 Ca 0.57 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.85 1upx s LYS 503 Cb -0.25 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1upx s LYS 503 CO 0.22 -0.12 0.00 0.09 -0.92 0.00 0.00 175.35 174.61 1upx n ASN 504 N -1.34 -4.12 -4.70 2.83 3.02 -0.20 -4.93 115.26 105.83 1upx n ASN 504 Ca 0.00 0.22 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 1upx n ASN 504 Cb 0.63 -2.60 -0.03 0.00 -0.61 0.00 0.00 39.78 37.17 1upx n ASN 504 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1upx s ILE 505 N -2.39 3.44 -0.25 2.41 1.01 -1.25 -4.56 121.20 119.61 1upx s ILE 505 Ca 0.00 0.91 -0.15 0.00 0.00 0.00 0.00 60.65 61.40 1upx s ILE 505 Cb 0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1upx s ILE 505 CO 0.00 0.02 0.39 -1.00 0.00 0.00 0.00 174.94 174.35 1upx s HIS 506 N 2.09 3.29 -0.08 3.97 3.76 -0.11 -1.23 115.29 126.98 1upx s HIS 506 Ca 0.66 0.49 0.04 0.00 -0.15 0.00 0.00 55.06 56.11 1upx s HIS 506 Cb -0.35 -2.57 -0.01 0.00 1.11 0.00 0.00 32.58 30.76 1upx s HIS 506 CO 0.29 -0.16 -0.20 -1.17 -0.85 0.00 0.00 174.74 172.64 1upx s LEU 507 N 1.86 2.34 0.00 0.89 2.96 0.25 -0.83 118.68 126.15 1upx s LEU 507 Ca 0.17 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1upx s LEU 507 Cb -0.15 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.09 1upx s LEU 507 CO 0.09 0.24 0.22 0.61 -1.32 0.00 0.00 176.35 176.19 1upx n GLY 508 N 3.01 1.69 0.15 7.98 0.00 -0.66 -4.08 105.19 113.28 1upx n GLY 508 Ca -0.18 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 44.90 1upx n GLY 508 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1upx h PRO 509 N 0.00 0.00 -5.22 1.61 0.13 -1.86 -1.28 132.00 125.38 1upx h PRO 509 Ca -0.09 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.60 1upx h PRO 509 Cb 0.33 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.32 1upx h PRO 509 CO 0.11 0.00 -0.64 0.95 -0.23 0.00 0.00 178.00 178.20 1upx s THR 510 N -3.30 1.20 0.15 1.56 -4.23 -1.26 -4.69 115.64 105.07 1upx s THR 510 Ca 0.06 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 1upx s THR 510 Cb 0.10 -2.56 -0.07 0.00 1.34 0.00 0.00 72.50 71.31 1upx s THR 510 CO 0.50 -0.17 0.54 -0.76 -0.54 0.00 0.00 174.62 174.18 1upx s LEU 511 N -3.41 4.31 0.31 4.79 1.43 -1.26 -4.95 118.68 119.90 1upx s LEU 511 Ca 0.32 1.04 -0.28 0.00 -1.03 0.00 0.00 54.13 54.18 1upx s LEU 511 Cb 0.07 -3.31 -0.13 0.00 0.03 0.00 0.00 46.19 42.84 1upx s LEU 511 CO 0.12 0.08 1.14 -2.65 0.23 0.00 0.00 176.35 175.27 1upx n PRO 512 N 0.66 1.68 0.27 1.29 -0.02 -1.26 -4.88 135.00 132.75 1upx n PRO 512 Ca -0.05 0.59 0.15 0.00 -2.02 0.00 0.00 63.50 62.17 1upx n PRO 512 Cb 0.52 -2.05 0.75 0.00 -0.02 0.00 0.00 33.50 32.69 1upx n PRO 512 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upx h ALA 513 N 2.32 1.16 -0.07 3.55 0.00 -1.80 -2.94 119.26 121.47 1upx h ALA 513 Ca -0.42 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1upx h ALA 513 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1upx h ALA 513 CO 0.62 0.12 0.00 1.97 0.00 0.00 0.00 179.25 181.96 1upx n PHE 514 N -3.43 0.09 -3.20 0.00 1.16 -1.26 -4.68 117.46 106.14 1upx n PHE 514 Ca -0.01 -0.05 -0.42 0.00 -1.87 0.00 0.00 57.45 55.10 1upx n PHE 514 Cb 0.25 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.05 1upx n PHE 514 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1upx s LEU 515 N -1.56 4.37 0.71 5.98 1.43 -1.11 -4.49 118.68 124.00 1upx s LEU 515 Ca 0.29 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 1upx s LEU 515 Cb 0.14 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1upx s LEU 515 CO 0.23 -0.55 1.09 -0.94 0.23 0.00 0.00 176.35 176.41 1upx s SER 516 N 1.80 4.94 0.26 2.29 1.04 -1.26 -4.73 113.70 118.04 1upx s SER 516 Ca 0.20 1.84 -0.03 0.00 0.48 0.00 0.00 55.95 58.45 1upx s SER 516 Cb -0.15 -2.53 0.55 0.00 0.10 0.00 0.00 66.02 63.99 1upx s SER 516 CO 0.14 -1.74 1.67 -0.65 0.98 0.00 0.00 173.24 173.64 1upx h PRO 517 N -0.58 0.23 -0.14 4.02 0.11 -1.97 0.86 132.00 134.53 1upx h PRO 517 Ca -0.45 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1upx h PRO 517 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1upx h PRO 517 CO 0.54 0.15 -0.51 -0.91 -0.21 0.00 0.00 178.00 177.06 1upx h ASN 518 N 0.24 0.41 -0.22 -2.05 -0.26 -1.98 -0.91 115.58 110.80 1upx h ASN 518 Ca 0.46 -0.21 -0.12 0.00 -0.56 0.00 0.00 56.30 55.87 1upx h ASN 518 Cb 0.85 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.99 1upx h ASN 518 CO -0.58 0.85 -0.35 0.58 -1.06 0.00 0.00 177.43 176.88 1upx h VAL 519 N 0.30 1.32 -0.94 2.81 2.07 -1.72 -2.62 116.25 117.46 1upx h VAL 519 Ca 0.01 -1.55 0.05 0.00 0.82 0.00 0.00 66.70 66.03 1upx h VAL 519 Cb 1.00 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 32.49 1upx h VAL 519 CO 0.09 0.48 0.61 0.00 0.02 0.00 0.00 177.57 178.77 1upx h ALA 520 N 0.63 1.45 -0.78 1.67 0.00 -0.75 -2.16 119.26 119.32 1upx h ALA 520 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1upx h ALA 520 Cb 0.93 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1upx h ALA 520 CO 0.08 0.43 0.31 -0.22 0.00 0.00 0.00 179.25 179.85 1upx h LYS 521 N 1.11 1.16 -0.64 0.00 3.64 -1.04 -0.51 116.57 120.30 1upx h LYS 521 Ca 0.39 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1upx h LYS 521 Cb 0.13 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1upx h LYS 521 CO -0.14 0.94 0.27 0.28 -2.27 0.00 0.00 179.45 178.53 1upx h VAL 522 N 1.13 1.23 -0.37 2.00 2.07 -1.06 0.13 116.25 121.37 1upx h VAL 522 Ca 0.26 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 1upx h VAL 522 Cb 0.21 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1upx h VAL 522 CO -0.02 0.28 -0.13 -0.07 0.02 0.00 0.00 177.57 177.65 1upx h LEU 523 N 0.89 0.65 -0.07 2.57 3.38 -0.88 0.30 115.31 122.16 1upx h LEU 523 Ca 0.21 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1upx h LEU 523 Cb 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1upx h LEU 523 CO -0.02 0.81 -0.08 0.58 0.09 0.00 0.00 178.44 179.82 1upx h VAL 524 N 0.60 1.39 -0.43 1.22 2.07 -0.89 -0.85 116.25 119.37 1upx h VAL 524 Ca 0.10 -1.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1upx h VAL 524 Cb 0.58 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1upx h VAL 524 CO 0.04 0.36 -0.00 -0.33 0.02 0.00 0.00 177.57 177.65 1upx h GLU 525 N -0.28 0.76 0.00 1.57 5.08 -0.58 -0.67 114.58 120.46 1upx h GLU 525 Ca 0.01 -0.24 -0.26 0.00 -1.00 0.00 0.00 59.36 57.86 1upx h GLU 525 Cb 0.62 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 1upx h GLU 525 CO 0.02 0.84 -1.89 1.04 -1.00 0.00 0.00 179.01 178.01 1upx n GLN 526 N -4.40 0.65 0.00 2.33 1.13 0.08 -4.55 117.38 112.62 1upx n GLN 526 Ca -0.00 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1upx n GLN 526 Cb 0.30 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1upx n GLN 526 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1upx n PHE 527 N -2.83 0.00 -4.14 1.08 3.01 -0.40 -5.02 117.46 109.17 1upx n PHE 527 Ca -0.19 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.94 1upx n PHE 527 Cb 0.99 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.43 1upx n PHE 527 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1upx n ASN 528 N -0.12 -2.11 -4.77 4.37 4.05 -0.26 -1.04 115.26 115.38 1upx n ASN 528 Ca 0.00 -1.02 -0.40 0.00 0.45 0.00 0.00 54.58 53.60 1upx n ASN 528 Cb 0.02 -2.81 -0.02 0.00 1.23 0.00 0.00 39.78 38.21 1upx n ASN 528 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1upx s ILE 529 N -3.57 2.82 0.33 -1.44 1.01 -1.10 -3.39 121.20 115.86 1upx s ILE 529 Ca 0.46 0.82 0.05 0.00 0.00 0.00 0.00 60.65 61.98 1upx s ILE 529 Cb -0.25 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1upx s ILE 529 CO 0.92 0.19 0.31 -0.83 0.00 0.00 0.00 174.94 175.53 1upx s GLY 530 N -0.58 2.14 0.00 6.18 0.00 -0.37 -4.54 107.32 110.15 1upx s GLY 530 Ca 0.49 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1upx s GLY 530 CO 0.50 -1.38 0.00 0.61 0.00 0.00 0.00 173.10 172.84 1upx n GLY 531 N -0.60 4.56 3.70 0.20 0.00 -1.26 -0.58 105.19 111.22 1upx n GLY 531 Ca 0.06 -2.12 -0.23 0.00 0.00 0.00 0.00 46.02 43.73 1upx n GLY 531 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upx s ILE 532 N 0.36 3.78 0.00 -0.61 -4.36 -1.26 -4.66 121.20 114.45 1upx s ILE 532 Ca 0.00 -1.74 0.00 0.00 -0.26 0.00 0.00 60.65 58.65 1upx s ILE 532 Cb 0.00 -3.03 0.00 0.00 1.25 0.00 0.00 42.46 40.68 1upx s ILE 532 CO 0.00 -0.36 0.00 0.35 0.24 0.00 0.00 174.94 175.17 1upx n THR 533 N -0.98 0.00 -2.91 8.37 -2.24 -1.26 -5.06 114.28 110.19 1upx n THR 533 Ca -0.07 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.40 1upx n THR 533 Cb 0.59 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 1upx n THR 533 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1upx s SER 534 N 1.00 6.62 0.21 3.42 1.04 -1.26 -4.96 113.70 119.76 1upx s SER 534 Ca 0.00 1.22 -0.10 0.00 0.48 0.00 0.00 55.95 57.55 1upx s SER 534 Cb 0.00 -2.36 0.15 0.00 0.10 0.00 0.00 66.02 63.91 1upx s SER 534 CO 0.00 -0.35 1.86 1.55 0.98 0.00 0.00 173.24 177.28 1upx h PRO 535 N 1.56 0.99 -0.48 4.02 0.13 -1.96 -1.43 132.00 134.84 1upx h PRO 535 Ca -0.47 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.49 1upx h PRO 535 Cb 1.18 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 1upx h PRO 535 CO 0.64 0.68 -0.06 -0.56 -0.23 0.00 0.00 178.00 178.47 1upx h GLN 536 N 1.01 0.85 -0.29 0.86 -0.00 -1.94 0.20 115.11 115.79 1upx h GLN 536 Ca 0.27 -0.27 -0.06 0.00 -0.00 0.00 0.00 58.65 58.60 1upx h GLN 536 Cb -0.08 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 27.32 1upx h GLN 536 CO -0.05 0.88 -0.04 -0.44 -0.00 0.00 0.00 178.83 179.18 1upx h ASP 537 N 0.77 0.54 0.55 0.06 5.19 -1.91 -3.09 116.42 118.54 1upx h ASP 537 Ca 0.14 -0.34 -0.12 0.00 -0.62 0.00 0.00 57.03 56.08 1upx h ASP 537 Cb 0.55 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 1upx h ASP 537 CO 0.03 0.76 -0.58 0.44 -3.12 0.00 0.00 179.24 176.77 1upx h ASP 538 N 0.32 0.03 0.06 6.45 3.32 -1.05 0.47 116.42 126.02 1upx h ASP 538 Ca 0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1upx h ASP 538 Cb 0.50 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1upx h ASP 538 CO 0.02 0.61 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.02 1upx h LEU 539 N 0.02 0.00 0.00 1.55 3.38 -0.93 0.35 115.31 119.69 1upx h LEU 539 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1upx h LEU 539 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1upx h LEU 539 CO 0.08 0.06 -0.17 0.50 0.09 0.00 0.00 178.44 179.00 1upx h LYS 540 N 0.00 0.00 -0.34 1.13 3.64 -1.36 -3.41 116.57 116.23 1upx h LYS 540 Ca -0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1upx h LYS 540 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1upx h LYS 540 CO 0.01 0.50 -0.14 0.00 -2.27 0.00 0.00 179.45 177.55 1upx h ALA 541 N -0.55 1.12 0.00 5.00 0.00 -0.69 -2.99 119.26 121.16 1upx h ALA 541 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1upx h ALA 541 Cb 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1upx h ALA 541 CO -0.02 0.55 0.00 1.19 0.00 0.00 0.00 179.25 180.97 1upx n PHE 542 N -4.17 0.72 -0.08 0.00 0.99 0.09 -3.15 117.46 111.87 1upx n PHE 542 Ca 0.01 0.24 0.05 0.00 -0.00 0.00 0.00 57.45 57.75 1upx n PHE 542 Cb 0.35 -0.89 0.13 0.00 -1.00 0.00 0.00 39.48 38.08 1upx n PHE 542 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1upx n PHE 543 N -2.11 0.38 0.00 1.38 3.01 -1.13 -4.97 117.46 114.02 1upx n PHE 543 Ca 0.04 -0.42 0.00 0.00 1.01 0.00 0.00 57.45 58.08 1upx n PHE 543 Cb 0.33 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 1upx n PHE 543 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18