#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iay n LEU 12 N 0.00 0.00 -4.95 7.28 4.77 -1.26 -5.07 117.00 117.78 1iay n LEU 12 Ca 0.00 -0.92 -0.25 0.00 -0.03 0.00 0.00 56.01 54.82 1iay n LEU 12 Cb 0.00 -0.75 0.07 0.00 -2.33 0.00 0.00 43.42 40.40 1iay n LEU 12 CO 0.00 -1.73 0.56 -0.94 -1.33 0.00 0.00 177.39 173.95 1iay s SER 13 N -3.91 4.81 0.13 -1.43 1.04 -1.26 -4.83 113.70 108.25 1iay s SER 13 Ca 0.54 0.26 -0.19 0.00 0.48 0.00 0.00 55.95 57.04 1iay s SER 13 Cb -0.04 -0.92 -0.03 0.00 0.10 0.00 0.00 66.02 65.13 1iay s SER 13 CO 0.41 -1.56 1.76 0.11 0.98 0.00 0.00 173.24 174.93 1iay h LYS 14 N -0.47 0.21 -0.36 4.02 1.57 -1.97 -0.30 116.57 119.27 1iay h LYS 14 Ca -0.43 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.41 1iay h LYS 14 Cb 1.30 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.50 1iay h LYS 14 CO 0.56 0.14 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.41 1iay h LEU 15 N 0.22 -0.34 0.16 2.94 3.38 -1.96 -2.66 115.31 117.05 1iay h LEU 15 Ca 0.10 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1iay h LEU 15 Cb 0.05 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1iay h LEU 15 CO -0.09 -0.12 -0.08 0.00 0.09 0.00 0.00 178.44 178.24 1iay h ALA 16 N 1.35 -0.22 0.00 1.53 0.00 -1.87 -3.16 119.26 116.90 1iay h ALA 16 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iay h ALA 16 Cb 0.27 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1iay h ALA 16 CO -0.37 -0.43 0.00 -2.37 0.00 0.00 0.00 179.25 176.08 1iay n THR 17 N -5.02 0.00 -0.18 0.00 5.66 -0.15 -2.72 114.28 111.87 1iay n THR 17 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1iay n THR 17 Cb 0.24 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.54 1iay n THR 17 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1iay n ASN 18 N -0.62 1.61 -4.24 1.09 3.02 -1.01 -5.04 115.26 110.06 1iay n ASN 18 Ca 0.02 -1.79 -0.28 0.00 -0.03 0.00 0.00 54.58 52.50 1iay n ASN 18 Cb 0.01 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.02 1iay n ASN 18 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1iay s GLU 19 N -0.79 1.75 0.00 3.52 2.02 -1.10 -5.08 118.70 119.02 1iay s GLU 19 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1iay s GLU 19 Cb 0.00 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.52 1iay s GLU 19 CO 0.00 0.47 0.00 -1.13 0.02 0.00 0.00 175.26 174.62 1iay n SER 25 N 2.50 0.00 -0.08 -0.19 3.41 -1.26 -5.07 113.62 112.93 1iay n SER 25 Ca -0.15 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.39 1iay n SER 25 Cb 0.52 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.32 1iay n SER 25 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1iay n PRO 26 N 0.00 0.87 -0.06 4.33 -0.04 -1.26 -4.32 135.00 134.52 1iay n PRO 26 Ca 0.00 -0.03 0.10 0.00 -0.04 0.00 0.00 63.50 63.53 1iay n PRO 26 Cb 0.00 -1.49 0.41 0.00 -0.04 0.00 0.00 33.50 32.38 1iay n PRO 26 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1iay n TYR 27 N -2.64 0.17 -0.37 0.54 4.01 -1.26 -3.57 117.16 114.03 1iay n TYR 27 Ca -0.27 -0.08 0.11 0.00 -0.16 0.00 0.00 57.90 57.50 1iay n TYR 27 Cb 1.04 0.00 0.31 0.00 -0.31 0.00 0.00 39.34 40.38 1iay n TYR 27 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1iay n PHE 28 N 0.11 0.97 -0.29 -0.72 3.72 -1.26 -4.41 117.46 115.58 1iay n PHE 28 Ca 0.16 -0.51 -0.06 0.00 -0.05 0.00 0.00 57.45 56.99 1iay n PHE 28 Cb 0.28 -0.02 0.07 0.00 -0.94 0.00 0.00 39.48 38.87 1iay n PHE 28 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1iay h ASP 29 N 4.11 1.11 0.11 4.37 3.32 -1.83 -1.09 116.42 126.51 1iay h ASP 29 Ca 0.00 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1iay h ASP 29 Cb 1.00 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1iay h ASP 29 CO 0.01 0.97 -0.05 1.23 -1.72 0.00 0.00 179.24 179.68 1iay h GLY 30 N 1.17 -0.15 0.71 2.75 0.00 -1.89 -0.81 103.07 104.85 1iay h GLY 30 Ca 0.27 0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.74 1iay h GLY 30 CO -0.02 -0.06 0.60 -0.25 0.00 0.00 0.00 176.54 176.82 1iay h TRP 31 N -0.42 1.06 -0.19 5.60 2.91 -1.81 -2.34 115.95 120.77 1iay h TRP 31 Ca -0.01 0.03 -0.19 0.00 1.13 0.00 0.00 58.89 59.85 1iay h TRP 31 Cb 0.34 -0.34 0.01 0.00 -0.51 0.00 0.00 29.16 28.65 1iay h TRP 31 CO 0.01 0.50 -0.61 0.87 -1.03 0.00 0.00 178.44 178.18 1iay h LYS 32 N 1.00 0.76 -0.87 2.65 1.57 -1.11 -2.62 116.57 117.95 1iay h LYS 32 Ca 0.43 -0.56 0.11 0.00 -1.87 0.00 0.00 60.65 58.76 1iay h LYS 32 Cb 0.33 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 1iay h LYS 32 CO -0.18 1.18 0.56 0.00 -0.57 0.00 0.00 179.45 180.43 1iay h ALA 33 N 0.58 1.73 0.24 3.86 0.00 -0.63 -1.09 119.26 123.95 1iay h ALA 33 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1iay h ALA 33 Cb 1.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1iay h ALA 33 CO 0.13 0.08 -0.11 -0.92 0.00 0.00 0.00 179.25 178.42 1iay h TYR 34 N 0.79 -0.30 -1.04 0.00 3.20 -1.41 -2.13 116.97 116.08 1iay h TYR 34 Ca 0.41 -0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.54 1iay h TYR 34 Cb 0.51 0.10 -0.10 0.00 1.54 0.00 0.00 36.73 38.78 1iay h TYR 34 CO -0.00 0.06 0.66 -0.44 -1.64 0.00 0.00 178.16 176.80 1iay h ASP 35 N -0.93 0.47 0.03 -2.11 3.32 -1.19 0.19 116.42 116.20 1iay h ASP 35 Ca -0.03 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1iay h ASP 35 Cb 0.49 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1iay h ASP 35 CO 0.05 0.09 -0.01 -1.28 -1.72 0.00 0.00 179.24 176.37 1iay h SER 36 N 0.41 -0.03 -2.19 6.45 0.87 -1.22 -3.37 113.55 114.47 1iay h SER 36 Ca 0.60 -0.43 -0.58 0.00 -1.23 0.00 0.00 61.79 60.16 1iay h SER 36 Cb 1.48 0.01 -0.41 0.00 -0.44 0.00 0.00 62.40 63.04 1iay h SER 36 CO -0.32 0.42 -0.73 -0.67 -0.53 0.00 0.00 176.83 175.00 1iay n ASP 37 N -4.89 3.38 -4.67 6.23 2.03 -0.51 -5.09 116.55 113.03 1iay n ASP 37 Ca -0.08 -3.42 -0.42 0.00 0.52 0.00 0.00 54.79 51.38 1iay n ASP 37 Cb 0.24 -0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 39.99 1iay n ASP 37 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1iay s PRO 38 N -2.75 4.22 0.35 -0.67 0.04 0.54 0.28 135.00 137.02 1iay s PRO 38 Ca 0.43 2.09 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 1iay s PRO 38 Cb 0.23 -3.79 -0.11 0.00 0.04 0.00 0.00 34.50 30.87 1iay s PRO 38 CO -0.08 -0.74 1.49 0.12 0.04 0.00 0.00 177.00 177.83 1iay s PHE 39 N 3.31 2.67 -0.19 0.56 5.36 -0.14 -4.61 117.98 124.94 1iay s PHE 39 Ca 0.69 1.12 -0.11 0.00 -0.96 0.00 0.00 56.93 57.66 1iay s PHE 39 Cb -0.33 -4.00 0.06 0.00 -0.34 0.00 0.00 43.02 38.42 1iay s PHE 39 CO 0.28 -2.99 0.46 -1.58 -1.46 0.00 0.00 175.22 169.93 1iay s HIS 40 N -0.89 -0.67 0.24 10.12 5.65 -0.49 -4.90 115.29 124.36 1iay s HIS 40 Ca 0.54 1.43 -0.10 0.00 0.25 0.00 0.00 55.06 57.19 1iay s HIS 40 Cb -0.46 0.32 0.37 0.00 -1.18 0.00 0.00 32.58 31.63 1iay s HIS 40 CO 0.59 -0.37 1.60 -1.00 -0.65 0.00 0.00 174.74 174.92 1iay h PRO 41 N 6.94 0.02 0.00 2.88 0.13 -1.91 0.36 132.00 140.43 1iay h PRO 41 Ca -0.35 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.71 1iay h PRO 41 Cb 1.19 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1iay h PRO 41 CO 0.26 0.01 -1.10 -0.11 -0.23 0.00 0.00 178.00 176.83 1iay n LEU 42 N -5.48 1.91 0.09 1.56 7.94 -1.26 -4.12 117.00 117.64 1iay n LEU 42 Ca 0.12 0.40 -0.12 0.00 -1.11 0.00 0.00 56.01 55.30 1iay n LEU 42 Cb 0.43 -0.79 -0.05 0.00 0.53 0.00 0.00 43.42 43.54 1iay n LEU 42 CO -0.01 -0.18 0.75 0.11 -1.11 0.00 0.00 177.39 176.95 1iay h LYS 43 N -1.00 -0.31 -2.07 1.96 1.57 -1.99 -3.36 116.57 111.37 1iay h LYS 43 Ca -0.11 0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 58.17 1iay h LYS 43 Cb 0.99 0.07 -0.40 0.00 0.08 0.00 0.00 32.23 32.96 1iay h LYS 43 CO -0.06 -0.20 -1.02 -1.71 -0.57 0.00 0.00 179.45 175.88 1iay n ASN 44 N -5.30 1.66 0.02 0.86 2.85 -0.80 -4.95 115.26 109.61 1iay n ASN 44 Ca -0.06 -3.11 0.21 0.00 -0.11 0.00 0.00 54.58 51.51 1iay n ASN 44 Cb 0.21 -0.62 0.73 0.00 1.24 0.00 0.00 39.78 41.35 1iay n ASN 44 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1iay h PRO 45 N 3.30 0.00 -0.69 1.20 0.13 -0.46 0.23 132.00 135.71 1iay h PRO 45 Ca 0.11 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.08 1iay h PRO 45 Cb 0.83 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.87 1iay h PRO 45 CO 0.58 0.00 0.20 0.09 -0.23 0.00 0.00 178.00 178.64 1iay n ASN 46 N -4.05 5.02 -4.76 1.44 3.02 -1.26 -4.80 115.26 109.87 1iay n ASN 46 Ca 0.10 -3.16 -0.29 0.00 -0.03 0.00 0.00 54.58 51.19 1iay n ASN 46 Cb 0.65 -0.73 0.12 0.00 -0.61 0.00 0.00 39.78 39.21 1iay n ASN 46 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1iay s GLY 47 N -1.02 1.61 0.02 7.41 0.00 0.68 -4.97 107.32 111.05 1iay s GLY 47 Ca 0.55 -0.69 -0.30 0.00 0.00 0.00 0.00 44.72 44.28 1iay s GLY 47 CO 0.14 -0.14 1.11 0.14 0.00 0.00 0.00 173.10 174.35 1iay s VAL 48 N -3.52 4.39 -0.19 1.40 1.01 0.14 -4.32 120.40 119.31 1iay s VAL 48 Ca 0.64 1.71 -0.20 0.00 0.00 0.00 0.00 61.98 64.13 1iay s VAL 48 Cb -0.11 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1iay s VAL 48 CO 0.51 0.11 0.59 -0.63 0.00 0.00 0.00 175.10 175.67 1iay s ILE 49 N 1.23 5.06 -0.42 2.22 1.01 -0.67 -0.97 121.20 128.66 1iay s ILE 49 Ca 0.56 1.10 -0.28 0.00 0.00 0.00 0.00 60.65 62.03 1iay s ILE 49 Cb -0.25 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 1iay s ILE 49 CO 0.27 0.15 1.59 -1.58 0.00 0.00 0.00 174.94 175.37 1iay s GLN 50 N 1.67 3.38 -0.06 2.79 2.00 -1.26 -1.50 119.66 126.68 1iay s GLN 50 Ca 0.27 1.03 0.13 0.00 -2.00 0.00 0.00 55.36 54.80 1iay s GLN 50 Cb -0.16 -4.13 0.26 0.00 0.80 0.00 0.00 33.01 29.79 1iay s GLN 50 CO 0.10 -1.81 1.12 -1.33 -0.50 0.00 0.00 175.29 172.88 1iay n MET 51 N 8.36 0.53 -0.02 1.67 2.81 -0.69 -4.78 117.12 124.99 1iay n MET 51 Ca 0.19 -2.02 0.02 0.00 -1.81 0.00 0.00 57.70 54.08 1iay n MET 51 Cb 0.48 -0.74 -0.09 0.00 -0.71 0.00 0.00 33.22 32.15 1iay n MET 51 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iay n GLY 52 N -0.33 -0.56 3.73 3.03 0.00 0.06 -1.13 105.19 110.00 1iay n GLY 52 Ca 0.08 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1iay n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iay s LEU 53 N -4.21 4.29 -1.30 0.99 1.43 -1.26 -4.85 118.68 113.77 1iay s LEU 53 Ca -0.05 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 53.71 1iay s LEU 53 Cb 0.06 -2.62 0.14 0.00 0.03 0.00 0.00 46.19 43.80 1iay s LEU 53 CO 0.49 0.05 1.87 0.00 0.23 0.00 0.00 176.35 178.99 1iay n ALA 54 N 3.46 5.07 -2.84 4.21 0.00 -1.26 -4.82 120.51 124.34 1iay n ALA 54 Ca -0.09 -4.20 -0.28 0.00 0.00 0.00 0.00 53.44 48.87 1iay n ALA 54 Cb 0.52 -3.13 -0.05 0.00 0.00 0.00 0.00 19.45 16.79 1iay n ALA 54 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1iay s GLU 55 N 1.29 3.07 -0.30 0.00 2.02 -1.26 -4.91 118.70 118.60 1iay s GLU 55 Ca 0.42 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.70 1iay s GLU 55 Cb 0.08 -2.78 0.06 0.00 0.10 0.00 0.00 34.13 31.59 1iay s GLU 55 CO -0.01 0.53 -0.01 1.21 0.02 0.00 0.00 175.26 177.01 1iay s ASN 56 N -2.84 4.81 0.00 -0.19 3.84 -1.26 -3.64 114.94 115.66 1iay s ASN 56 Ca 0.32 -1.41 0.00 0.00 0.21 0.00 0.00 52.86 51.98 1iay s ASN 56 Cb -0.11 -1.68 0.00 0.00 -0.55 0.00 0.00 41.25 38.91 1iay s ASN 56 CO 0.25 -0.27 0.31 0.00 -2.79 0.00 0.00 177.10 174.59 1iay n GLN 57 N 4.56 0.11 0.00 0.43 6.02 -0.58 -4.17 117.38 123.74 1iay n GLN 57 Ca -0.11 -0.31 0.02 0.00 -0.01 0.00 0.00 57.00 56.58 1iay n GLN 57 Cb 0.43 -0.79 0.09 0.00 1.02 0.00 0.00 30.24 30.99 1iay n GLN 57 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1iay n LEU 58 N -0.10 0.00 0.00 1.08 4.77 -1.25 -3.05 117.00 118.45 1iay n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1iay n LEU 58 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1iay n LEU 58 CO 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 177.39 175.89 1iay h LEU 60 N 0.00 0.16 -1.95 0.00 3.38 -1.82 1.64 115.31 116.72 1iay h LEU 60 Ca 0.00 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1iay h LEU 60 Cb 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1iay h LEU 60 CO 0.00 -0.06 -0.10 -2.24 0.09 0.00 0.00 178.44 176.13 1iay h ASP 61 N 0.09 0.00 0.08 -0.43 2.03 -1.88 0.97 116.42 117.28 1iay h ASP 61 Ca 0.76 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.86 1iay h ASP 61 Cb 2.63 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 41.13 1iay h ASP 61 CO -0.22 0.10 -0.73 -0.07 -1.03 0.00 0.00 179.24 177.29 1iay h LEU 62 N 0.00 0.67 0.22 0.15 3.38 0.21 -1.47 115.31 118.46 1iay h LEU 62 Ca -0.00 -0.43 -0.33 0.00 0.09 0.00 0.00 57.88 57.21 1iay h LEU 62 Cb 0.21 -0.20 0.03 0.00 0.09 0.00 0.00 40.66 40.79 1iay h LEU 62 CO 0.01 1.19 -1.48 0.40 0.09 0.00 0.00 178.44 178.66 1iay h ILE 63 N 0.39 1.27 0.22 1.22 2.04 -0.91 -2.83 117.51 118.91 1iay h ILE 63 Ca -0.04 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.08 1iay h ILE 63 Cb 1.32 2.99 -0.01 0.00 -0.74 0.00 0.00 36.82 40.38 1iay h ILE 63 CO 0.14 0.83 -0.20 -0.33 0.00 0.00 0.00 178.15 178.59 1iay h GLU 64 N 0.13 -0.43 -0.22 2.37 5.08 0.85 -2.42 114.58 119.95 1iay h GLU 64 Ca -0.25 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1iay h GLU 64 Cb 2.13 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 31.42 1iay h GLU 64 CO 0.25 -0.28 -0.39 -0.44 -1.00 0.00 0.00 179.01 177.15 1iay h ASP 65 N -0.44 -1.27 -0.90 1.42 5.19 -1.35 -1.89 116.42 117.17 1iay h ASP 65 Ca -0.01 0.16 0.23 0.00 -0.62 0.00 0.00 57.03 56.79 1iay h ASP 65 Cb 0.41 0.51 -0.16 0.00 0.18 0.00 0.00 39.33 40.27 1iay h ASP 65 CO -0.03 -0.30 0.02 -0.25 -3.12 0.00 0.00 179.24 175.55 1iay h TRP 66 N -0.33 -0.05 -1.00 4.55 7.01 -1.37 -0.49 115.95 124.28 1iay h TRP 66 Ca 0.04 0.07 0.06 0.00 2.11 0.00 0.00 58.89 61.16 1iay h TRP 66 Cb 0.44 0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.60 1iay h TRP 66 CO -0.64 -0.34 0.65 0.82 -2.79 0.00 0.00 178.44 176.14 1iay h ILE 67 N 0.06 1.11 0.45 2.65 2.04 -0.84 -2.21 117.51 120.77 1iay h ILE 67 Ca 0.52 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 1iay h ILE 67 Cb 1.01 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1iay h ILE 67 CO -0.82 0.22 -0.22 0.11 0.00 0.00 0.00 178.15 177.44 1iay h LYS 68 N 1.19 -0.59 0.00 2.37 1.57 -0.84 -3.04 116.57 117.22 1iay h LYS 68 Ca 0.42 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1iay h LYS 68 Cb 0.13 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1iay h LYS 68 CO -0.16 -0.29 0.00 0.54 -0.57 0.00 0.00 179.45 178.97 1iay n ARG 69 N -5.25 0.15 -3.56 3.15 1.74 -1.12 -3.86 116.66 107.91 1iay n ARG 69 Ca -0.11 0.19 -0.27 0.00 -0.77 0.00 0.00 57.85 56.89 1iay n ARG 69 Cb 0.30 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.14 1iay n ARG 69 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1iay n ASN 70 N -1.32 1.09 -1.29 0.55 3.02 -0.84 -4.97 115.26 111.50 1iay n ASN 70 Ca 0.06 -2.77 -0.02 0.00 -0.03 0.00 0.00 54.58 51.82 1iay n ASN 70 Cb 0.11 -0.64 0.01 0.00 -0.61 0.00 0.00 39.78 38.65 1iay n ASN 70 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1iay n PRO 71 N 2.28 1.12 -0.13 3.52 -0.04 -1.25 -3.61 135.00 136.89 1iay n PRO 71 Ca 0.26 -0.25 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1iay n PRO 71 Cb 0.43 -1.10 0.02 0.00 -0.04 0.00 0.00 33.50 32.81 1iay n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1iay n LYS 72 N 0.75 0.76 -1.03 0.54 5.02 -1.26 -4.80 118.16 118.14 1iay n LYS 72 Ca 0.05 -1.06 -0.13 0.00 -2.02 0.00 0.00 58.31 55.16 1iay n LYS 72 Cb 0.56 -0.71 0.23 0.00 -0.02 0.00 0.00 35.03 35.09 1iay n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iay n GLY 73 N -0.26 3.83 3.50 0.72 0.00 -1.24 -4.35 105.19 107.39 1iay n GLY 73 Ca 0.02 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1iay n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iay s SER 74 N -0.98 -0.40 -0.51 1.61 1.04 -1.26 -3.59 113.70 109.61 1iay s SER 74 Ca 0.51 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.91 1iay s SER 74 Cb 0.42 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1iay s SER 74 CO 0.12 -0.73 0.37 2.30 0.98 0.00 0.00 173.24 176.28 1iay n ILE 75 N -0.29 -2.01 -2.65 -1.02 -5.35 -1.26 0.41 119.36 107.19 1iay n ILE 75 Ca -0.11 -0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.21 1iay n ILE 75 Cb 0.62 -1.79 -0.00 0.00 -1.74 0.00 0.00 39.64 36.73 1iay n ILE 75 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1iay n SER 77 N -1.96 0.00 -2.99 0.00 3.41 0.17 -4.77 113.62 107.47 1iay n SER 77 Ca -0.13 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.26 1iay n SER 77 Cb 0.60 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.60 1iay n SER 77 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1iay n SER 82 N 0.00 -6.06 -0.05 4.04 3.41 -1.26 -4.63 113.62 109.07 1iay n SER 82 Ca 0.00 -0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 58.17 1iay n SER 82 Cb 0.00 -4.85 -0.07 0.00 -0.26 0.00 0.00 64.21 59.03 1iay n SER 82 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1iay h PHE 83 N -1.51 0.38 -0.36 7.33 3.57 -1.88 -2.93 116.94 121.54 1iay h PHE 83 Ca -0.52 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 60.95 1iay h PHE 83 Cb 1.36 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.94 1iay h PHE 83 CO 0.51 0.68 -0.13 0.87 -2.23 0.00 0.00 178.31 178.01 1iay h LYS 84 N -0.02 -0.05 0.17 1.11 1.57 -2.00 -0.62 116.57 116.73 1iay h LYS 84 Ca 0.03 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1iay h LYS 84 Cb 0.60 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 1iay h LYS 84 CO 0.03 -0.04 -0.36 0.00 -0.57 0.00 0.00 179.45 178.52 1iay h ALA 85 N 1.27 -0.65 -0.22 3.86 0.00 -1.97 0.85 119.26 122.39 1iay h ALA 85 Ca 0.18 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1iay h ALA 85 Cb 0.33 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1iay h ALA 85 CO -0.40 -0.92 -0.14 -0.84 0.00 0.00 0.00 179.25 176.95 1iay h ILE 86 N -0.62 1.21 -0.29 0.00 3.07 -1.33 0.97 117.51 120.52 1iay h ILE 86 Ca 0.02 -0.93 -0.15 0.00 1.55 0.00 0.00 64.86 65.34 1iay h ILE 86 Cb 0.63 1.20 -0.00 0.00 -0.27 0.00 0.00 36.82 38.38 1iay h ILE 86 CO -0.18 0.30 -0.41 0.00 -1.05 0.00 0.00 178.15 176.81 1iay h ALA 87 N 1.53 0.44 0.00 0.16 0.00 -0.78 -3.21 119.26 117.40 1iay h ALA 87 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1iay h ALA 87 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1iay h ALA 87 CO 0.03 0.56 -0.42 -0.97 0.00 0.00 0.00 179.25 178.45 1iay h ASN 88 N 0.55 0.00 -2.52 0.00 -0.00 -0.67 -3.46 115.58 109.49 1iay h ASN 88 Ca 0.03 -0.07 -0.53 0.00 -0.00 0.00 0.00 56.30 55.72 1iay h ASN 88 Cb 1.01 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.34 1iay h ASN 88 CO 0.10 0.04 1.13 0.12 -0.00 0.00 0.00 177.43 178.82 1iay s PHE 89 N -3.20 1.81 -0.01 0.67 2.19 0.32 -4.89 117.98 114.87 1iay s PHE 89 Ca 0.06 -0.08 0.02 0.00 0.33 0.00 0.00 56.93 57.26 1iay s PHE 89 Cb 0.11 -4.10 0.03 0.00 -1.31 0.00 0.00 43.02 37.74 1iay s PHE 89 CO 0.69 -4.72 0.87 0.00 1.83 0.00 0.00 175.22 173.90 1iay n GLN 90 N 6.77 0.28 -2.32 10.12 10.64 -1.26 -4.90 117.38 136.72 1iay n GLN 90 Ca 0.18 -1.04 -0.40 0.00 -1.83 0.00 0.00 57.00 53.91 1iay n GLN 90 Cb 0.41 -0.63 -0.03 0.00 -0.86 0.00 0.00 30.24 29.13 1iay n GLN 90 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1iay s ASP 91 N -0.90 6.96 0.00 2.61 -1.08 -1.26 -4.94 116.67 118.07 1iay s ASP 91 Ca 0.03 2.43 0.04 0.00 -0.52 0.00 0.00 52.55 54.54 1iay s ASP 91 Cb 0.03 -2.63 0.19 0.00 -1.46 0.00 0.00 42.92 39.05 1iay s ASP 91 CO 0.00 -0.37 1.14 0.00 0.52 0.00 0.00 175.17 176.46 1iay n TYR 92 N 0.85 0.08 1.01 -5.34 0.18 -1.26 -2.38 117.16 110.31 1iay n TYR 92 Ca 0.00 -0.04 0.12 0.00 1.88 0.00 0.00 57.90 59.86 1iay n TYR 92 Cb 0.44 0.00 0.22 0.00 -0.38 0.00 0.00 39.34 39.62 1iay n TYR 92 CO 0.00 0.00 0.00 0.72 -2.08 0.00 0.00 176.86 175.50 1iay n HIS 93 N -0.34 0.00 -0.53 -3.48 8.25 -1.26 -4.71 115.22 113.14 1iay n HIS 93 Ca 0.04 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.57 1iay n HIS 93 Cb 0.06 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 30.94 1iay n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iay n GLY 94 N 1.49 -1.52 3.70 -1.41 0.00 -1.00 -4.76 105.19 101.69 1iay n GLY 94 Ca 0.06 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1iay n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iay s LEU 95 N -3.96 4.39 0.25 0.99 1.43 -1.26 -4.90 118.68 115.62 1iay s LEU 95 Ca 0.00 2.78 -0.06 0.00 -1.03 0.00 0.00 54.13 55.82 1iay s LEU 95 Cb 0.00 -3.58 0.46 0.00 0.03 0.00 0.00 46.19 43.10 1iay s LEU 95 CO 0.00 -0.98 1.64 -0.65 0.23 0.00 0.00 176.35 176.60 1iay h PRO 96 N 7.85 0.13 0.00 1.29 0.11 -2.01 0.56 132.00 139.93 1iay h PRO 96 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1iay h PRO 96 Cb 1.21 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1iay h PRO 96 CO 0.95 0.09 -0.16 0.93 -0.21 0.00 0.00 178.00 179.60 1iay h GLU 97 N 0.13 0.00 -0.14 1.05 3.07 -1.98 -2.62 114.58 114.08 1iay h GLU 97 Ca 0.42 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.22 1iay h GLU 97 Cb 0.76 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1iay h GLU 97 CO -0.64 0.16 -0.15 0.35 -1.40 0.00 0.00 179.01 177.32 1iay h PHE 98 N 0.00 0.43 -0.14 4.33 3.57 -1.18 -2.39 116.94 121.56 1iay h PHE 98 Ca -0.00 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.38 1iay h PHE 98 Cb 0.60 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1iay h PHE 98 CO 0.00 0.76 0.06 0.00 -2.23 0.00 0.00 178.31 176.90 1iay h ARG 99 N -0.02 0.14 -0.43 1.11 3.08 -1.22 -1.99 114.38 115.04 1iay h ARG 99 Ca 0.02 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1iay h ARG 99 Cb 0.69 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1iay h ARG 99 CO 0.04 0.09 0.22 -0.22 -1.07 0.00 0.00 179.97 179.03 1iay h LYS 100 N 0.14 0.44 0.00 0.04 1.63 -1.49 0.13 116.57 117.46 1iay h LYS 100 Ca 0.06 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 1iay h LYS 100 Cb 0.02 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 1iay h LYS 100 CO -0.05 0.29 -0.32 0.00 -3.45 0.00 0.00 179.45 175.92 1iay h ALA 101 N 1.22 1.34 0.03 5.00 0.00 -1.32 -1.13 119.26 124.41 1iay h ALA 101 Ca 0.18 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 1iay h ALA 101 Cb 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1iay h ALA 101 CO -0.12 0.40 -1.08 0.82 0.00 0.00 0.00 179.25 179.27 1iay h ILE 102 N 0.00 1.31 -0.49 0.00 1.08 -0.72 -1.68 117.51 117.01 1iay h ILE 102 Ca -0.00 -2.37 -0.09 0.00 -0.39 0.00 0.00 64.86 62.01 1iay h ILE 102 Cb 0.62 2.48 -0.02 0.00 -3.07 0.00 0.00 36.82 36.83 1iay h ILE 102 CO 0.04 0.72 -0.07 0.00 -0.69 0.00 0.00 178.15 178.15 1iay h ALA 103 N 0.45 0.94 0.05 1.87 0.00 -0.30 -2.15 119.26 120.12 1iay h ALA 103 Ca -0.13 -0.31 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 1iay h ALA 103 Cb 1.74 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 19.35 1iay h ALA 103 CO 0.20 0.62 -1.09 0.87 0.00 0.00 0.00 179.25 179.86 1iay h LYS 104 N 0.80 0.54 -0.41 0.00 1.57 -1.28 -1.59 116.57 116.20 1iay h LYS 104 Ca 0.14 -0.65 0.04 0.00 -1.87 0.00 0.00 60.65 58.31 1iay h LYS 104 Cb 0.58 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1iay h LYS 104 CO 0.04 1.26 0.27 0.35 -0.57 0.00 0.00 179.45 180.80 1iay h PHE 105 N 0.28 0.38 -0.05 -1.35 3.57 -1.19 0.14 116.94 118.73 1iay h PHE 105 Ca -0.13 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.30 1iay h PHE 105 Cb 1.75 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.36 1iay h PHE 105 CO 0.09 0.22 -0.29 0.52 -2.23 0.00 0.00 178.31 176.62 1iay h MET 106 N 0.39 0.27 -0.33 1.11 2.86 -1.25 -1.97 114.93 116.01 1iay h MET 106 Ca 0.17 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1iay h MET 106 Cb 0.18 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 1iay h MET 106 CO -0.04 0.89 0.04 0.93 1.06 0.00 0.00 176.91 179.79 1iay h GLU 107 N -0.27 0.14 -0.81 1.72 5.08 -0.65 -2.20 114.58 117.59 1iay h GLU 107 Ca -0.02 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 1iay h GLU 107 Cb 0.96 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.09 1iay h GLU 107 CO 0.06 0.09 0.42 0.87 -1.00 0.00 0.00 179.01 179.45 1iay h LYS 108 N 0.14 0.63 0.00 2.33 1.79 -0.74 0.34 116.57 121.07 1iay h LYS 108 Ca 0.16 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 1iay h LYS 108 Cb 0.20 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1iay h LYS 108 CO -0.23 0.42 -0.16 1.15 -1.08 0.00 0.00 179.45 179.55 1iay h THR 109 N 0.65 0.62 -0.92 -0.16 2.02 -0.73 -1.64 112.91 112.75 1iay h THR 109 Ca 0.42 -0.69 -0.57 0.00 0.77 0.00 0.00 66.41 66.34 1iay h THR 109 Cb 0.53 1.45 -0.29 0.00 -1.74 0.00 0.00 68.15 68.09 1iay h THR 109 CO -0.32 0.15 0.58 0.54 0.37 0.00 0.00 175.52 176.84 1iay n ARG 110 N -3.63 2.52 -3.38 6.66 1.74 -0.47 -4.85 116.66 115.26 1iay n ARG 110 Ca -0.01 -3.25 -0.24 0.00 -0.77 0.00 0.00 57.85 53.57 1iay n ARG 110 Cb 0.29 -2.21 0.02 0.00 -1.02 0.00 0.00 32.46 29.54 1iay n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iay n GLY 111 N -1.01 -0.50 2.28 -0.13 0.00 -0.62 -1.50 105.19 103.71 1iay n GLY 111 Ca 0.58 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.67 1iay n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iay n GLY 112 N -1.43 -0.29 0.18 -0.02 0.00 0.11 -4.74 105.19 99.01 1iay n GLY 112 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1iay n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iay n ARG 113 N -2.41 0.94 -3.87 1.61 1.74 -0.56 -4.87 116.66 109.24 1iay n ARG 113 Ca -0.07 -0.37 -0.09 0.00 -0.77 0.00 0.00 57.85 56.54 1iay n ARG 113 Cb 0.49 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 1iay n ARG 113 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1iay s VAL 114 N -2.31 0.09 -0.06 1.55 -7.23 -1.26 -4.95 120.40 106.23 1iay s VAL 114 Ca 0.33 -1.16 0.03 0.00 -1.81 0.00 0.00 61.98 59.37 1iay s VAL 114 Cb 0.20 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 1iay s VAL 114 CO 0.44 -0.40 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.55 1iay s ARG 115 N -3.90 2.60 -0.19 4.82 0.52 -1.26 -4.69 118.95 116.84 1iay s ARG 115 Ca 0.11 -0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 54.60 1iay s ARG 115 Cb 0.03 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 33.12 1iay s ARG 115 CO -0.05 0.56 -0.14 -0.06 0.02 0.00 0.00 175.30 175.63 1iay s PHE 116 N -0.58 2.85 -0.45 -0.53 0.40 -1.26 -5.06 117.98 113.35 1iay s PHE 116 Ca 0.08 -1.34 -0.26 0.00 -0.60 0.00 0.00 56.93 54.81 1iay s PHE 116 Cb -0.11 -1.99 0.03 0.00 0.51 0.00 0.00 43.02 41.46 1iay s PHE 116 CO 0.01 -0.69 0.96 0.34 0.70 0.00 0.00 175.22 176.55 1iay s ASP 117 N 1.33 6.55 0.00 1.36 2.15 -1.26 -4.76 116.67 122.03 1iay s ASP 117 Ca 0.05 0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.26 1iay s ASP 117 Cb -0.14 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1iay s ASP 117 CO -0.08 -1.06 0.80 -0.81 -0.17 0.00 0.00 175.17 173.84 1iay n PRO 118 N 7.24 0.00 0.09 4.34 -0.04 -1.26 -0.95 135.00 144.42 1iay n PRO 118 Ca 0.07 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1iay n PRO 118 Cb 0.49 -1.53 0.45 0.00 -0.04 0.00 0.00 33.50 32.86 1iay n PRO 118 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1iay n GLU 119 N -1.30 0.21 0.05 0.54 2.13 -1.26 -2.96 120.64 118.05 1iay n GLU 119 Ca 0.00 0.21 0.11 0.00 0.66 0.00 0.00 57.16 58.15 1iay n GLU 119 Cb 0.03 -1.76 -0.07 0.00 0.27 0.00 0.00 31.44 29.90 1iay n GLU 119 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1iay n ARG 120 N -2.13 0.62 -1.61 5.31 1.74 -0.12 -4.93 116.66 115.54 1iay n ARG 120 Ca 0.05 -0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.68 1iay n ARG 120 Cb 0.38 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 1iay n ARG 120 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1iay n VAL 121 N -2.47 0.43 -4.53 1.55 0.31 -1.15 -4.62 118.33 107.85 1iay n VAL 121 Ca -0.02 -0.38 -0.32 0.00 -0.01 0.00 0.00 64.34 63.61 1iay n VAL 121 Cb 0.55 -2.46 -0.11 0.00 -0.91 0.00 0.00 33.84 30.91 1iay n VAL 121 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1iay s VAL 122 N 7.41 3.52 0.56 2.52 1.01 -1.03 -4.97 120.40 129.42 1iay s VAL 122 Ca 0.99 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1iay s VAL 122 Cb -0.39 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1iay s VAL 122 CO 0.38 0.42 0.84 -0.04 0.00 0.00 0.00 175.10 176.70 1iay s MET 123 N -1.31 2.78 -0.06 2.72 -1.94 -1.26 -1.29 119.30 118.94 1iay s MET 123 Ca 0.16 -0.31 -0.31 0.00 -1.71 0.00 0.00 55.69 53.52 1iay s MET 123 Cb -0.11 -2.37 0.11 0.00 2.01 0.00 0.00 34.83 34.48 1iay s MET 123 CO 0.06 -0.68 1.02 0.00 -0.01 0.00 0.00 175.02 175.42 1iay s ALA 124 N -2.88 -1.92 -0.56 3.03 0.00 -0.72 -4.54 121.76 114.16 1iay s ALA 124 Ca 0.54 1.16 -0.26 0.00 0.00 0.00 0.00 51.96 53.40 1iay s ALA 124 Cb -0.10 0.24 -0.25 0.00 0.00 0.00 0.00 23.12 23.01 1iay s ALA 124 CO 0.42 -0.69 1.82 0.41 0.00 0.00 0.00 175.76 177.72 1iay n GLY 125 N -0.21 1.20 4.44 0.00 0.00 -0.92 -2.55 105.19 107.15 1iay n GLY 125 Ca -0.05 -0.90 0.07 0.00 0.00 0.00 0.00 46.02 45.14 1iay n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iay n GLY 126 N 5.07 -1.49 0.28 -0.02 0.00 -1.21 -1.05 105.19 106.76 1iay n GLY 126 Ca 0.47 -1.13 0.16 0.00 0.00 0.00 0.00 46.02 45.52 1iay n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iay h ALA 127 N -0.96 1.16 -0.29 4.61 0.00 -1.82 -2.03 119.26 119.94 1iay h ALA 127 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1iay h ALA 127 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1iay h ALA 127 CO 0.00 0.09 0.11 1.15 0.00 0.00 0.00 179.25 180.60 1iay h THR 128 N 0.00 1.18 0.00 0.00 2.02 -1.95 -0.33 112.91 113.84 1iay h THR 128 Ca -0.00 -0.55 -0.09 0.00 0.77 0.00 0.00 66.41 66.54 1iay h THR 128 Cb 0.30 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1iay h THR 128 CO 0.01 0.19 -0.43 1.23 0.37 0.00 0.00 175.52 176.89 1iay h GLY 129 N 0.32 0.00 0.69 2.16 0.00 -0.70 -2.77 103.07 102.77 1iay h GLY 129 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1iay h GLY 129 CO -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.42 1iay h ALA 130 N 1.57 -0.32 -0.84 3.60 0.00 -1.04 0.34 119.26 122.57 1iay h ALA 130 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1iay h ALA 130 Cb 1.19 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1iay h ALA 130 CO 0.06 -0.52 0.45 -0.91 0.00 0.00 0.00 179.25 178.33 1iay h ASN 131 N -0.64 1.05 -0.27 0.00 2.35 -1.12 -1.27 115.58 115.69 1iay h ASN 131 Ca -0.03 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 1iay h ASN 131 Cb 0.45 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1iay h ASN 131 CO 0.05 0.85 -0.12 -0.08 -1.65 0.00 0.00 177.43 176.48 1iay h GLU 132 N 1.17 0.56 -0.47 0.81 4.81 -1.46 -2.76 114.58 117.24 1iay h GLU 132 Ca 0.29 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1iay h GLU 132 Cb 0.04 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1iay h GLU 132 CO -0.05 0.80 0.29 1.15 -0.73 0.00 0.00 179.01 180.48 1iay h THR 133 N 0.29 1.14 -0.80 0.32 2.02 -0.75 -2.21 112.91 112.92 1iay h THR 133 Ca 0.06 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1iay h THR 133 Cb 0.63 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1iay h THR 133 CO 0.04 0.14 0.41 -0.29 0.37 0.00 0.00 175.52 176.19 1iay h ILE 134 N 0.62 1.24 -0.80 3.11 6.09 -1.25 -1.78 117.51 124.74 1iay h ILE 134 Ca 0.17 -0.64 -0.04 0.00 -1.37 0.00 0.00 64.86 62.98 1iay h ILE 134 Cb -0.03 0.18 -0.04 0.00 0.47 0.00 0.00 36.82 37.41 1iay h ILE 134 CO -0.03 0.28 0.35 0.40 -3.07 0.00 0.00 178.15 176.08 1iay h ILE 135 N 1.13 1.26 -0.90 2.19 1.08 -1.22 -0.79 117.51 120.27 1iay h ILE 135 Ca 0.28 -0.76 0.09 0.00 -0.39 0.00 0.00 64.86 64.08 1iay h ILE 135 Cb 0.07 0.27 -0.06 0.00 -3.07 0.00 0.00 36.82 34.02 1iay h ILE 135 CO -0.04 0.32 0.58 -0.26 -0.69 0.00 0.00 178.15 178.06 1iay h PHE 136 N 1.15 0.98 0.00 1.37 0.04 -0.73 0.98 116.94 120.72 1iay h PHE 136 Ca 0.27 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 61.03 1iay h PHE 136 Cb 0.16 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 1iay h PHE 136 CO 0.02 0.46 -0.17 0.00 -0.60 0.00 0.00 178.31 178.01 1iay n LEU 138 N -3.18 1.06 -3.72 0.00 4.77 -0.43 -5.03 117.00 110.46 1iay n LEU 138 Ca 0.02 -0.82 -0.13 0.00 -0.03 0.00 0.00 56.01 55.05 1iay n LEU 138 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1iay n LEU 138 CO 0.35 0.22 0.11 0.00 -1.33 0.00 0.00 177.39 176.74 1iay s ALA 139 N -0.87 -1.07 0.41 -1.18 0.00 0.25 -4.83 121.76 114.45 1iay s ALA 139 Ca 0.05 1.19 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 1iay s ALA 139 Cb 0.05 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1iay s ALA 139 CO 0.13 -0.21 0.64 -0.51 0.00 0.00 0.00 175.76 175.81 1iay s ASP 140 N 0.14 6.19 -0.18 0.00 1.01 -1.26 -4.59 116.67 117.97 1iay s ASP 140 Ca -0.01 0.55 -0.38 0.00 0.71 0.00 0.00 52.55 53.42 1iay s ASP 140 Cb -0.03 -1.99 -0.15 0.00 1.01 0.00 0.00 42.92 41.77 1iay s ASP 140 CO 0.01 -0.46 1.74 -2.65 0.21 0.00 0.00 175.17 174.02 1iay n PRO 141 N -1.98 1.47 0.00 8.23 -0.02 -1.24 -0.37 135.00 141.09 1iay n PRO 141 Ca -0.02 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1iay n PRO 141 Cb 0.56 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1iay n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iay n GLY 142 N 4.08 2.41 3.39 -1.23 0.00 0.41 -4.93 105.19 109.33 1iay n GLY 142 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1iay n GLY 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iay s ASP 143 N -0.22 -0.33 0.13 1.61 1.01 0.50 -4.63 116.67 114.74 1iay s ASP 143 Ca 0.00 0.91 0.02 0.00 0.71 0.00 0.00 52.55 54.19 1iay s ASP 143 Cb 0.00 -1.32 -0.04 0.00 1.01 0.00 0.00 42.92 42.56 1iay s ASP 143 CO 0.00 -4.92 -0.03 0.00 0.21 0.00 0.00 175.17 170.43 1iay s ALA 144 N -2.46 1.13 -0.00 5.23 0.00 0.14 -1.55 121.76 124.24 1iay s ALA 144 Ca 0.69 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1iay s ALA 144 Cb -0.14 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 1iay s ALA 144 CO 0.59 -0.29 -0.07 -0.06 0.00 0.00 0.00 175.76 175.92 1iay s PHE 145 N -3.67 0.65 0.15 0.00 0.40 -0.32 -0.85 117.98 114.33 1iay s PHE 145 Ca 0.18 -0.14 -0.12 0.00 -0.60 0.00 0.00 56.93 56.25 1iay s PHE 145 Cb 0.06 -0.41 -0.07 0.00 0.51 0.00 0.00 43.02 43.11 1iay s PHE 145 CO -0.01 -0.01 0.52 -0.51 0.70 0.00 0.00 175.22 175.91 1iay s LEU 146 N -0.24 4.30 -0.23 -0.37 1.43 -0.19 -0.20 118.68 123.18 1iay s LEU 146 Ca 0.02 0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 54.01 1iay s LEU 146 Cb -0.03 -3.31 0.10 0.00 0.03 0.00 0.00 46.19 42.98 1iay s LEU 146 CO -0.00 0.08 0.51 0.54 0.23 0.00 0.00 176.35 177.70 1iay s VAL 147 N -1.53 -0.60 0.43 -1.59 0.11 -0.29 -1.68 120.40 115.24 1iay s VAL 147 Ca 0.39 0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 59.28 1iay s VAL 147 Cb -0.14 -0.78 -0.09 0.00 -1.53 0.00 0.00 36.38 33.84 1iay s VAL 147 CO 0.19 0.04 1.39 -2.84 -3.33 0.00 0.00 175.10 170.55 1iay s PRO 148 N 2.44 3.80 0.04 1.54 0.02 -1.26 -1.08 135.00 140.50 1iay s PRO 148 Ca -0.05 2.34 0.05 0.00 0.02 0.00 0.00 61.00 63.36 1iay s PRO 148 Cb -0.11 -2.71 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 1iay s PRO 148 CO -0.15 -0.69 -0.10 -1.54 -0.33 0.00 0.00 177.00 174.19 1iay s SER 149 N -0.57 4.38 0.64 2.53 1.04 -0.11 -4.04 113.70 117.57 1iay s SER 149 Ca 0.59 -0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.60 1iay s SER 149 Cb -0.42 -0.91 -0.01 0.00 0.10 0.00 0.00 66.02 64.78 1iay s SER 149 CO 0.54 0.25 1.09 -2.16 0.98 0.00 0.00 173.24 173.94 1iay s PRO 150 N -1.62 2.94 0.15 4.02 0.04 -1.26 -3.32 135.00 135.95 1iay s PRO 150 Ca 0.18 1.30 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 1iay s PRO 150 Cb -0.11 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1iay s PRO 150 CO 0.09 -1.12 0.17 1.52 0.04 0.00 0.00 177.00 177.70 1iay s TYR 151 N -2.43 0.64 -0.45 0.56 -0.85 -0.50 -4.54 117.35 109.78 1iay s TYR 151 Ca 0.65 -1.00 -0.31 0.00 -0.52 0.00 0.00 57.07 55.89 1iay s TYR 151 Cb -0.19 -0.27 -0.10 0.00 0.38 0.00 0.00 41.96 41.78 1iay s TYR 151 CO 0.41 -0.63 2.33 0.98 -1.52 0.00 0.00 175.55 177.12 1iay n TYR 152 N -0.16 1.48 -0.37 -3.49 9.36 -1.23 -4.56 117.16 118.19 1iay n TYR 152 Ca -0.06 0.18 0.28 0.00 3.32 0.00 0.00 57.90 61.61 1iay n TYR 152 Cb 0.63 -2.58 0.55 0.00 -0.63 0.00 0.00 39.34 37.32 1iay n TYR 152 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1iay h PRO 153 N 14.83 0.27 0.00 2.98 0.13 -1.91 0.38 132.00 148.68 1iay h PRO 153 Ca -0.26 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1iay h PRO 153 Cb 1.29 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1iay h PRO 153 CO 1.10 0.18 0.00 0.00 -0.23 0.00 0.00 178.00 179.04 1iay h ALA 154 N 1.65 1.00 -0.84 -0.56 0.00 -1.93 -2.17 119.26 116.42 1iay h ALA 154 Ca 0.70 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.73 1iay h ALA 154 Cb 1.90 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.61 1iay h ALA 154 CO -0.39 0.00 0.45 0.74 0.00 0.00 0.00 179.25 180.05 1iay h PHE 155 N 0.00 0.80 -0.06 0.00 0.04 -1.28 0.26 116.94 116.70 1iay h PHE 155 Ca 0.00 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.82 1iay h PHE 155 Cb 0.02 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 1iay h PHE 155 CO 0.00 0.25 0.37 -0.91 -0.60 0.00 0.00 178.31 177.42 1iay h ASN 156 N 0.69 0.00 0.00 2.17 2.35 -1.61 0.27 115.58 119.45 1iay h ASN 156 Ca 0.44 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 56.06 1iay h ASN 156 Cb 0.55 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1iay h ASN 156 CO -0.32 0.00 -1.30 -1.14 -1.65 0.00 0.00 177.43 173.02 1iay n ARG 157 N -3.00 0.44 -0.35 0.81 0.63 0.29 -4.07 116.66 111.41 1iay n ARG 157 Ca -0.01 0.18 0.11 0.00 -0.92 0.00 0.00 57.85 57.22 1iay n ARG 157 Cb 0.44 -1.25 0.29 0.00 0.45 0.00 0.00 32.46 32.39 1iay n ARG 157 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1iay h ASP 158 N -0.79 0.81 0.38 6.15 3.32 -0.29 -2.51 116.42 123.49 1iay h ASP 158 Ca -0.20 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1iay h ASP 158 Cb 1.04 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1iay h ASP 158 CO -0.12 0.33 -1.08 0.18 -1.72 0.00 0.00 179.24 176.83 1iay n LEU 159 N -4.73 0.60 0.02 1.55 4.77 0.92 -3.76 117.00 116.37 1iay n LEU 159 Ca 0.22 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1iay n LEU 159 Cb 0.51 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1iay n LEU 159 CO 0.23 0.06 -0.32 0.54 -1.33 0.00 0.00 177.39 176.56 1iay n ARG 160 N -1.95 0.00 -0.06 3.23 1.74 -1.11 -4.39 116.66 114.12 1iay n ARG 160 Ca 0.02 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.08 1iay n ARG 160 Cb 0.44 -0.50 -0.01 0.00 -1.02 0.00 0.00 32.46 31.36 1iay n ARG 160 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 1iay n TRP 161 N -3.18 -0.06 0.80 -1.55 -0.00 -0.96 -0.73 117.44 111.75 1iay n TRP 161 Ca 0.00 0.17 0.12 0.00 -0.00 0.00 0.00 57.50 57.78 1iay n TRP 161 Cb 0.32 -0.31 0.13 0.00 -0.00 0.00 0.00 31.31 31.45 1iay n TRP 161 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1iay n ARG 162 N -3.14 2.34 -0.01 5.87 1.74 -1.26 -4.28 116.66 117.92 1iay n ARG 162 Ca 0.00 -2.01 0.11 0.00 -0.77 0.00 0.00 57.85 55.17 1iay n ARG 162 Cb 0.03 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 29.85 1iay n ARG 162 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1iay n THR 163 N 1.38 0.00 -1.01 0.55 -2.24 0.01 -4.96 114.28 108.01 1iay n THR 163 Ca 0.15 -0.32 -0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1iay n THR 163 Cb 0.60 0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1iay n THR 163 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iay n GLY 164 N 1.35 0.20 3.82 3.38 0.00 0.09 -3.71 105.19 110.32 1iay n GLY 164 Ca -0.01 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1iay n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iay s VAL 165 N -1.37 5.19 0.16 1.61 1.01 -1.25 0.16 120.40 125.90 1iay s VAL 165 Ca 0.00 0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.67 1iay s VAL 165 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1iay s VAL 165 CO 0.00 0.54 0.26 0.00 0.00 0.00 0.00 175.10 175.89 1iay s GLN 166 N -0.67 3.34 -0.14 2.72 -2.07 -0.60 -4.14 119.66 118.10 1iay s GLN 166 Ca 0.21 -0.66 -0.05 0.00 -1.82 0.00 0.00 55.36 53.04 1iay s GLN 166 Cb -0.15 -2.90 -0.04 0.00 -1.09 0.00 0.00 33.01 28.84 1iay s GLN 166 CO 0.09 0.51 0.02 -0.51 -1.32 0.00 0.00 175.29 174.09 1iay s LEU 167 N -3.24 3.65 -0.21 2.60 1.43 -1.26 -1.17 118.68 120.47 1iay s LEU 167 Ca 0.34 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.51 1iay s LEU 167 Cb -0.11 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1iay s LEU 167 CO 0.28 0.26 -0.12 -0.63 0.23 0.00 0.00 176.35 176.36 1iay s ILE 168 N -0.17 2.64 0.19 -0.59 1.01 0.72 -4.93 121.20 120.08 1iay s ILE 168 Ca 0.06 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 1iay s ILE 168 Cb -0.12 -2.20 -0.08 0.00 0.01 0.00 0.00 42.46 40.07 1iay s ILE 168 CO 0.02 0.43 1.17 -2.16 0.00 0.00 0.00 174.94 174.39 1iay s PRO 169 N 1.35 4.53 -0.37 2.79 0.04 -1.26 -1.13 135.00 140.95 1iay s PRO 169 Ca 0.04 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 1iay s PRO 169 Cb -0.14 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1iay s PRO 169 CO -0.08 -0.03 0.23 0.42 0.04 0.00 0.00 177.00 177.58 1iay s ILE 170 N -0.18 4.88 0.30 0.56 1.01 -0.24 -4.78 121.20 122.75 1iay s ILE 170 Ca 0.51 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 60.24 1iay s ILE 170 Cb -0.32 -3.65 -0.11 0.00 0.01 0.00 0.00 42.46 38.39 1iay s ILE 170 CO 0.37 -0.17 1.56 -2.28 0.00 0.00 0.00 174.94 174.41 1iay s HIS 171 N 1.63 2.76 -0.02 3.97 5.65 -1.26 -0.94 115.29 127.08 1iay s HIS 171 Ca 0.04 0.86 0.01 0.00 0.25 0.00 0.00 55.06 56.22 1iay s HIS 171 Cb -0.18 -4.03 0.02 0.00 -1.18 0.00 0.00 32.58 27.20 1iay s HIS 171 CO 0.08 -3.40 -0.02 0.00 -0.65 0.00 0.00 174.74 170.75 1iay s GLU 173 N 0.63 1.60 0.56 0.00 -1.05 -1.26 -4.59 118.70 114.58 1iay s GLU 173 Ca -0.07 -1.85 0.31 0.00 -0.15 0.00 0.00 54.97 53.22 1iay s GLU 173 Cb -0.10 -1.02 1.66 0.00 -0.44 0.00 0.00 34.13 34.23 1iay s GLU 173 CO -0.01 -0.07 2.14 0.66 0.95 0.00 0.00 175.26 178.93 1iay h SER 174 N 2.20 0.00 0.00 0.83 4.64 -1.98 0.02 113.55 119.26 1iay h SER 174 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1iay h SER 174 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1iay h SER 174 CO 0.69 0.07 0.00 -1.20 -0.87 0.00 0.00 176.83 175.52 1iay n SER 175 N -3.51 0.00 -1.27 4.97 7.64 -1.26 -1.38 113.62 118.81 1iay n SER 175 Ca -0.02 0.91 -0.03 0.00 1.01 0.00 0.00 58.87 60.74 1iay n SER 175 Cb 0.20 -0.41 0.02 0.00 -1.01 0.00 0.00 64.21 63.01 1iay n SER 175 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1iay n ASN 176 N -2.26 3.77 -3.31 6.43 6.94 -1.26 -4.80 115.26 120.76 1iay n ASN 176 Ca 0.00 -2.30 -0.24 0.00 -0.02 0.00 0.00 54.58 52.02 1iay n ASN 176 Cb 0.00 -0.69 0.02 0.00 -2.36 0.00 0.00 39.78 36.75 1iay n ASN 176 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1iay n ASN 177 N 0.54 -4.91 -2.28 0.53 3.02 -0.48 -2.92 115.26 108.76 1iay n ASN 177 Ca 0.07 -0.40 -0.16 0.00 -0.03 0.00 0.00 54.58 54.06 1iay n ASN 177 Cb 0.61 -3.99 0.03 0.00 -0.61 0.00 0.00 39.78 35.83 1iay n ASN 177 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1iay n PHE 178 N -4.30 -1.53 -2.70 3.10 3.72 -0.01 -4.97 117.46 110.78 1iay n PHE 178 Ca -0.04 0.45 -0.27 0.00 -0.05 0.00 0.00 57.45 57.54 1iay n PHE 178 Cb 0.57 -3.53 -0.00 0.00 -0.94 0.00 0.00 39.48 35.58 1iay n PHE 178 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1iay s LYS 179 N -5.49 3.53 -0.06 -1.08 1.02 -1.15 -4.88 119.74 111.63 1iay s LYS 179 Ca 0.26 0.15 -0.20 0.00 0.02 0.00 0.00 55.97 56.20 1iay s LYS 179 Cb -0.12 -2.40 -0.05 0.00 -0.52 0.00 0.00 37.83 34.75 1iay s LYS 179 CO 0.33 -0.18 0.57 0.42 -0.92 0.00 0.00 175.35 175.57 1iay s ILE 180 N -2.71 5.04 -0.01 2.17 1.01 -1.26 -4.83 121.20 120.62 1iay s ILE 180 Ca 0.47 1.18 0.08 0.00 0.00 0.00 0.00 60.65 62.38 1iay s ILE 180 Cb -0.10 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 1iay s ILE 180 CO 0.44 0.35 -0.26 0.42 0.00 0.00 0.00 174.94 175.89 1iay s THR 181 N 0.31 2.10 0.51 2.92 -4.23 -1.26 -5.00 115.64 110.99 1iay s THR 181 Ca 0.31 -1.17 0.25 0.00 -1.18 0.00 0.00 61.69 59.90 1iay s THR 181 Cb -0.17 -1.75 0.41 0.00 1.34 0.00 0.00 72.50 72.33 1iay s THR 181 CO 0.15 0.53 1.95 0.28 -0.54 0.00 0.00 174.62 176.99 1iay h SER 182 N 5.32 0.10 0.44 3.99 0.02 -1.97 -0.24 113.55 121.20 1iay h SER 182 Ca -0.44 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 1iay h SER 182 Cb 1.13 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1iay h SER 182 CO 0.46 0.05 -0.21 0.50 -1.14 0.00 0.00 176.83 176.49 1iay h LYS 183 N 0.10 -0.57 -0.08 3.45 3.64 -1.99 -1.62 116.57 119.51 1iay h LYS 183 Ca 0.33 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 1iay h LYS 183 Cb 1.16 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1iay h LYS 183 CO -0.04 -0.30 -0.05 0.00 -2.27 0.00 0.00 179.45 176.80 1iay h ALA 184 N -0.25 1.78 0.05 5.00 0.00 -1.46 0.14 119.26 124.52 1iay h ALA 184 Ca -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1iay h ALA 184 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1iay h ALA 184 CO 0.10 0.17 -0.03 0.28 0.00 0.00 0.00 179.25 179.77 1iay h VAL 185 N 0.11 1.28 0.00 0.00 2.07 -1.05 -2.04 116.25 116.62 1iay h VAL 185 Ca 0.03 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 1iay h VAL 185 Cb 0.16 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1iay h VAL 185 CO 0.01 0.35 -0.15 0.11 0.02 0.00 0.00 177.57 177.92 1iay h LYS 186 N -0.79 0.00 0.79 1.57 1.57 -1.19 0.23 116.57 118.75 1iay h LYS 186 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1iay h LYS 186 Cb 0.64 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.96 1iay h LYS 186 CO 0.01 0.15 -0.38 1.49 -0.57 0.00 0.00 179.45 180.15 1iay h GLU 187 N 0.00 -1.03 -0.41 3.15 4.57 -0.67 0.47 114.58 120.66 1iay h GLU 187 Ca -0.00 0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1iay h GLU 187 Cb 0.38 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1iay h GLU 187 CO 0.02 -0.68 0.22 0.00 -1.18 0.00 0.00 179.01 177.39 1iay h ALA 188 N -1.38 0.51 0.32 2.92 0.00 -1.01 -1.76 119.26 118.86 1iay h ALA 188 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1iay h ALA 188 Cb 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1iay h ALA 188 CO 0.18 -0.12 -0.29 -0.92 0.00 0.00 0.00 179.25 178.10 1iay h TYR 189 N 0.45 -0.80 -0.90 0.00 3.20 -0.52 -2.35 116.97 116.06 1iay h TYR 189 Ca 0.17 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.11 1iay h TYR 189 Cb 0.04 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 1iay h TYR 189 CO -0.09 -0.39 0.57 0.93 -1.64 0.00 0.00 178.16 177.54 1iay h GLU 190 N -0.60 1.00 -0.46 1.82 5.08 -0.91 -2.26 114.58 118.25 1iay h GLU 190 Ca -0.04 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1iay h GLU 190 Cb 0.51 -0.23 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 1iay h GLU 190 CO -0.02 0.66 -0.06 -0.97 -1.00 0.00 0.00 179.01 177.62 1iay h ASN 191 N 1.03 -0.33 -0.98 1.42 -1.24 -1.22 -1.04 115.58 113.23 1iay h ASN 191 Ca 0.39 0.13 0.06 0.00 0.71 0.00 0.00 56.30 57.59 1iay h ASN 191 Cb 0.18 0.24 -0.06 0.00 0.73 0.00 0.00 38.32 39.41 1iay h ASN 191 CO -0.18 -0.11 0.63 0.00 -1.29 0.00 0.00 177.43 176.48 1iay h ALA 192 N 1.44 1.43 -0.93 1.57 0.00 -0.85 -2.35 119.26 119.56 1iay h ALA 192 Ca 0.22 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1iay h ALA 192 Cb 0.34 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1iay h ALA 192 CO -0.43 0.43 0.61 1.96 0.00 0.00 0.00 179.25 181.82 1iay h GLN 193 N 1.15 1.12 -0.37 0.00 4.20 -1.00 -1.80 115.11 118.40 1iay h GLN 193 Ca 0.42 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 59.11 1iay h GLN 193 Cb 0.16 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1iay h GLN 193 CO -0.16 0.74 0.11 0.87 -0.67 0.00 0.00 178.83 179.72 1iay h LYS 194 N 1.15 0.24 0.00 1.46 1.79 -1.15 0.37 116.57 120.43 1iay h LYS 194 Ca 0.38 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1iay h LYS 194 Cb 0.05 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1iay h LYS 194 CO -0.12 0.16 0.00 0.43 -1.08 0.00 0.00 179.45 178.84 1iay n SER 195 N -5.04 0.00 -3.61 0.86 7.64 -0.72 -4.83 113.62 107.92 1iay n SER 195 Ca 0.02 -1.08 -0.20 0.00 1.01 0.00 0.00 58.87 58.61 1iay n SER 195 Cb 0.14 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.39 1iay n SER 195 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1iay n ASN 196 N -0.54 -1.85 -4.42 6.43 3.02 0.13 -5.00 115.26 113.03 1iay n ASN 196 Ca 0.01 -0.78 -0.34 0.00 -0.03 0.00 0.00 54.58 53.44 1iay n ASN 196 Cb 0.00 -4.33 -0.13 0.00 -0.61 0.00 0.00 39.78 34.71 1iay n ASN 196 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1iay s ILE 197 N -3.58 3.46 -0.42 2.41 1.01 -0.97 -5.02 121.20 118.09 1iay s ILE 197 Ca 0.05 -0.51 -0.26 0.00 0.00 0.00 0.00 60.65 59.93 1iay s ILE 197 Cb -0.01 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.98 1iay s ILE 197 CO 0.79 0.49 0.97 -0.75 0.00 0.00 0.00 174.94 176.44 1iay s LYS 198 N 0.53 3.71 -0.34 2.79 2.47 -1.26 -4.35 119.74 123.30 1iay s LYS 198 Ca -0.06 0.44 -0.19 0.00 -1.56 0.00 0.00 55.97 54.61 1iay s LYS 198 Cb -0.15 -3.86 -0.00 0.00 -1.46 0.00 0.00 37.83 32.35 1iay s LYS 198 CO 0.03 -1.12 0.56 0.08 0.16 0.00 0.00 175.35 175.06 1iay s VAL 199 N 3.75 4.97 -0.47 4.02 1.01 -1.26 0.26 120.40 132.68 1iay s VAL 199 Ca 0.40 0.50 0.23 0.00 0.00 0.00 0.00 61.98 63.11 1iay s VAL 199 Cb -0.10 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1iay s VAL 199 CO 0.24 -0.22 1.14 0.29 0.00 0.00 0.00 175.10 176.55 1iay n LYS 200 N 5.83 0.41 -3.11 2.72 4.76 -0.03 -4.90 118.16 123.85 1iay n LYS 200 Ca -0.03 0.08 0.03 0.00 -2.87 0.00 0.00 58.31 55.51 1iay n LYS 200 Cb 0.49 -1.72 0.01 0.00 -1.84 0.00 0.00 35.03 31.97 1iay n LYS 200 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iay n GLY 201 N 1.28 0.22 2.93 0.72 0.00 -1.23 -1.36 105.19 107.76 1iay n GLY 201 Ca 0.02 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 1iay n GLY 201 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iay s LEU 202 N 0.00 1.72 -0.16 0.99 0.20 0.21 -1.02 118.68 120.62 1iay s LEU 202 Ca 0.18 -0.10 0.02 0.00 0.69 0.00 0.00 54.13 54.91 1iay s LEU 202 Cb -0.00 -0.33 0.02 0.00 -0.43 0.00 0.00 46.19 45.44 1iay s LEU 202 CO -0.02 0.02 -0.21 -0.51 -0.29 0.00 0.00 176.35 175.34 1iay s ILE 203 N 0.29 2.07 0.37 6.68 2.07 -0.68 -0.67 121.20 131.33 1iay s ILE 203 Ca -0.03 -0.95 0.07 0.00 -1.41 0.00 0.00 60.65 58.33 1iay s ILE 203 Cb -0.07 -1.85 -0.02 0.00 0.13 0.00 0.00 42.46 40.65 1iay s ILE 203 CO -0.00 0.54 0.36 -0.76 -1.91 0.00 0.00 174.94 173.18 1iay s LEU 204 N 1.08 3.59 -0.16 8.50 1.43 0.22 -4.49 118.68 128.85 1iay s LEU 204 Ca -0.00 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1iay s LEU 204 Cb -0.14 -2.27 0.04 0.00 0.03 0.00 0.00 46.19 43.85 1iay s LEU 204 CO -0.08 -0.49 -0.03 -0.89 0.23 0.00 0.00 176.35 175.09 1iay s THR 205 N -2.34 0.97 -0.15 5.49 2.01 -1.26 -1.63 115.64 118.72 1iay s THR 205 Ca 0.45 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.84 1iay s THR 205 Cb -0.06 -1.19 0.08 0.00 0.01 0.00 0.00 72.50 71.34 1iay s THR 205 CO 0.28 0.09 0.25 0.21 -0.69 0.00 0.00 174.62 174.76 1iay s ASN 206 N 1.69 0.63 0.80 3.53 2.47 -1.07 -3.12 114.94 119.87 1iay s ASN 206 Ca 0.01 0.35 -0.15 0.00 0.42 0.00 0.00 52.86 53.48 1iay s ASN 206 Cb -0.15 0.62 -0.02 0.00 -1.45 0.00 0.00 41.25 40.25 1iay s ASN 206 CO -0.07 -0.27 0.44 -2.65 -3.72 0.00 0.00 177.10 170.83 1iay n PRO 207 N 5.34 0.11 -2.91 0.43 -0.02 -1.26 -4.08 135.00 132.61 1iay n PRO 207 Ca -0.06 0.08 -0.38 0.00 -2.02 0.00 0.00 63.50 61.12 1iay n PRO 207 Cb 0.50 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.11 1iay n PRO 207 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1iay s SER 208 N -1.62 7.34 -0.10 2.55 0.15 0.14 -4.70 113.70 117.45 1iay s SER 208 Ca 0.62 1.70 0.02 0.00 0.70 0.00 0.00 55.95 58.99 1iay s SER 208 Cb -0.30 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.50 1iay s SER 208 CO 0.62 0.08 -0.15 0.21 1.20 0.00 0.00 173.24 175.19 1iay s ASN 209 N -1.42 2.39 0.00 5.45 2.47 -1.26 0.15 114.94 122.72 1iay s ASN 209 Ca 0.43 -0.42 0.18 0.00 0.42 0.00 0.00 52.86 53.47 1iay s ASN 209 Cb -0.21 -1.08 0.85 0.00 -1.45 0.00 0.00 41.25 39.37 1iay s ASN 209 CO 0.25 0.03 1.58 -0.81 -3.72 0.00 0.00 177.10 174.43 1iay n PRO 210 N 4.08 1.38 0.20 0.43 -0.04 -1.26 -3.54 135.00 136.25 1iay n PRO 210 Ca -0.20 -0.57 0.05 0.00 -0.04 0.00 0.00 63.50 62.74 1iay n PRO 210 Cb 0.51 -1.32 0.42 0.00 -0.04 0.00 0.00 33.50 33.07 1iay n PRO 210 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1iay h LEU 211 N 1.13 0.00 0.38 1.53 3.38 -1.90 -3.39 115.31 116.44 1iay h LEU 211 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1iay h LEU 211 Cb 0.25 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.07 1iay h LEU 211 CO 0.00 0.33 -0.56 0.61 0.09 0.00 0.00 178.44 178.91 1iay n GLY 212 N -0.40 -0.38 3.18 0.83 0.00 0.39 -4.44 105.19 104.37 1iay n GLY 212 Ca -0.02 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1iay n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iay s THR 213 N -3.16 1.72 -0.19 2.61 -4.23 -1.22 -2.30 115.64 108.87 1iay s THR 213 Ca 0.34 -0.85 -0.26 0.00 -1.18 0.00 0.00 61.69 59.73 1iay s THR 213 Cb -0.15 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 72.20 1iay s THR 213 CO 0.42 0.49 0.88 0.42 -0.54 0.00 0.00 174.62 176.28 1iay s THR 214 N 0.16 4.83 0.42 3.99 -4.23 -1.26 0.23 115.64 119.78 1iay s THR 214 Ca -0.09 1.71 -0.26 0.00 -1.18 0.00 0.00 61.69 61.87 1iay s THR 214 Cb -0.14 -4.17 -0.09 0.00 1.34 0.00 0.00 72.50 69.43 1iay s THR 214 CO 0.05 -0.03 1.43 0.18 -0.54 0.00 0.00 174.62 175.71 1iay n LEU 215 N 5.58 4.89 -4.76 4.79 4.77 -1.26 -4.96 117.00 126.04 1iay n LEU 215 Ca 0.06 1.16 -0.36 0.00 -0.03 0.00 0.00 56.01 56.84 1iay n LEU 215 Cb 0.48 -1.60 0.02 0.00 -2.33 0.00 0.00 43.42 39.99 1iay n LEU 215 CO 0.49 -0.11 0.83 -0.62 -1.33 0.00 0.00 177.39 176.65 1iay s ASP 216 N -0.36 5.43 0.14 -1.43 -1.08 -1.26 -4.60 116.67 113.50 1iay s ASP 216 Ca 0.59 2.34 -0.19 0.00 -0.52 0.00 0.00 52.55 54.76 1iay s ASP 216 Cb -0.47 -2.60 -0.00 0.00 -1.46 0.00 0.00 42.92 38.39 1iay s ASP 216 CO 0.60 -1.42 1.73 0.50 0.52 0.00 0.00 175.17 177.09 1iay h LYS 217 N 1.10 0.12 -0.47 4.34 3.64 -1.94 -1.43 116.57 121.94 1iay h LYS 217 Ca -0.50 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 58.76 1iay h LYS 217 Cb 1.28 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 1iay h LYS 217 CO 0.56 0.08 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.25 1iay h ASP 218 N 0.12 0.87 -0.46 4.20 3.32 -1.99 -2.19 116.42 120.30 1iay h ASP 218 Ca 0.11 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 56.90 1iay h ASP 218 Cb 0.12 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1iay h ASP 218 CO -0.16 1.01 0.27 0.74 -1.72 0.00 0.00 179.24 179.38 1iay h THR 219 N 0.78 1.05 0.12 0.35 2.02 -1.87 0.11 112.91 115.46 1iay h THR 219 Ca 0.12 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1iay h THR 219 Cb 0.65 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1iay h THR 219 CO 0.05 0.10 -0.16 -0.07 0.37 0.00 0.00 175.52 175.80 1iay h LEU 220 N 0.55 -0.44 -0.65 2.58 3.38 -1.09 -2.41 115.31 117.23 1iay h LEU 220 Ca 0.18 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.34 1iay h LEU 220 Cb 0.02 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 40.82 1iay h LEU 220 CO -0.09 -0.24 0.03 0.11 0.09 0.00 0.00 178.44 178.34 1iay h LYS 221 N -0.33 0.13 -0.26 1.13 1.57 -0.71 0.96 116.57 119.07 1iay h LYS 221 Ca 0.01 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1iay h LYS 221 Cb 0.33 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 1iay h LYS 221 CO -0.07 0.09 -0.03 0.77 -0.57 0.00 0.00 179.45 179.64 1iay h SER 222 N 0.14 -0.16 -0.08 0.86 0.02 -0.68 0.14 113.55 113.78 1iay h SER 222 Ca 0.35 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1iay h SER 222 Cb 0.57 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 1iay h SER 222 CO -0.54 -0.05 0.03 0.58 -1.14 0.00 0.00 176.83 175.71 1iay h VAL 223 N 0.04 1.15 0.00 2.27 2.07 -0.72 0.17 116.25 121.23 1iay h VAL 223 Ca 0.13 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1iay h VAL 223 Cb 0.18 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1iay h VAL 223 CO -0.24 0.13 -0.02 0.25 0.02 0.00 0.00 177.57 177.71 1iay h LEU 224 N -0.04 0.00 0.17 2.57 5.85 -0.62 0.11 115.31 123.35 1iay h LEU 224 Ca 0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1iay h LEU 224 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1iay h LEU 224 CO -0.00 0.02 -0.08 0.28 -0.34 0.00 0.00 178.44 178.32 1iay h SER 225 N 0.00 -0.19 -0.51 1.25 0.02 0.29 -1.81 113.55 112.60 1iay h SER 225 Ca -0.00 -0.29 0.09 0.00 -0.84 0.00 0.00 61.79 60.75 1iay h SER 225 Cb 0.10 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.61 1iay h SER 225 CO 0.00 0.37 0.07 0.15 -1.14 0.00 0.00 176.83 176.28 1iay h PHE 226 N -0.94 0.09 0.17 3.45 3.57 -0.43 0.37 116.94 123.22 1iay h PHE 226 Ca -0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1iay h PHE 226 Cb 0.47 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1iay h PHE 226 CO 0.07 -0.05 -0.29 1.15 -2.23 0.00 0.00 178.31 176.96 1iay h THR 227 N 0.19 0.38 0.00 4.41 2.02 -0.89 -2.58 112.91 116.44 1iay h THR 227 Ca 0.26 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.39 1iay h THR 227 Cb 0.37 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1iay h THR 227 CO -0.37 0.00 -0.22 -1.13 0.37 0.00 0.00 175.52 174.17 1iay h ASN 228 N -0.53 0.00 0.46 4.18 -0.73 -0.49 -2.17 115.58 116.30 1iay h ASN 228 Ca 0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.19 1iay h ASN 228 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.13 1iay h ASN 228 CO -0.14 0.22 0.00 0.00 -0.37 0.00 0.00 177.43 177.14 1iay n GLN 229 N -3.97 0.45 -0.28 6.67 6.02 0.12 -3.00 117.38 123.39 1iay n GLN 229 Ca -0.02 0.02 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1iay n GLN 229 Cb 0.30 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.13 1iay n GLN 229 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1iay n HIS 230 N -1.25 0.00 -4.29 1.08 8.25 -0.86 -5.02 115.22 113.13 1iay n HIS 230 Ca 0.14 -0.50 -0.31 0.00 -0.26 0.00 0.00 57.72 56.79 1iay n HIS 230 Cb 0.21 -0.10 -0.09 0.00 1.12 0.00 0.00 29.99 31.13 1iay n HIS 230 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1iay n ASN 231 N -0.71 0.45 -4.43 0.41 3.02 -1.00 -4.97 115.26 108.03 1iay n ASN 231 Ca 0.08 -1.24 -0.25 0.00 -0.03 0.00 0.00 54.58 53.14 1iay n ASN 231 Cb 0.66 -1.81 -0.11 0.00 -0.61 0.00 0.00 39.78 37.91 1iay n ASN 231 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1iay s ILE 232 N -4.21 2.36 0.59 2.41 -4.36 -0.95 -5.02 121.20 112.02 1iay s ILE 232 Ca 0.09 -2.17 -0.15 0.00 -0.26 0.00 0.00 60.65 58.16 1iay s ILE 232 Cb -0.05 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.45 1iay s ILE 232 CO 0.99 -0.24 1.04 -1.00 0.24 0.00 0.00 174.94 175.97 1iay s HIS 233 N -2.03 3.10 -0.38 1.37 3.76 -0.46 -4.43 115.29 116.22 1iay s HIS 233 Ca 0.24 1.49 0.02 0.00 -0.15 0.00 0.00 55.06 56.66 1iay s HIS 233 Cb -0.07 -2.95 0.11 0.00 1.11 0.00 0.00 32.58 30.79 1iay s HIS 233 CO 0.11 -0.99 0.13 -1.17 -0.85 0.00 0.00 174.74 171.98 1iay s LEU 234 N -4.58 3.50 -0.16 0.89 2.96 0.11 0.67 118.68 122.08 1iay s LEU 234 Ca 0.62 -2.21 -0.21 0.00 -0.22 0.00 0.00 54.13 52.11 1iay s LEU 234 Cb -0.15 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.24 1iay s LEU 234 CO 0.39 -0.35 0.60 -0.69 -1.32 0.00 0.00 176.35 174.98 1iay s VAL 235 N 0.84 5.07 -0.22 1.68 1.01 0.15 -2.37 120.40 126.56 1iay s VAL 235 Ca 0.13 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1iay s VAL 235 Cb -0.21 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.27 1iay s VAL 235 CO -0.10 0.19 -0.12 0.00 0.00 0.00 0.00 175.10 175.06 1iay s ASP 237 N 1.28 6.80 -0.61 0.00 -1.08 -0.64 0.77 116.67 123.20 1iay s ASP 237 Ca 0.01 -2.60 -0.02 0.00 -0.52 0.00 0.00 52.55 49.42 1iay s ASP 237 Cb -0.16 -2.29 0.28 0.00 -1.46 0.00 0.00 42.92 39.29 1iay s ASP 237 CO -0.08 -0.72 2.22 -0.62 0.52 0.00 0.00 175.17 176.50 1iay n GLU 238 N 4.81 2.48 0.28 4.34 1.02 -0.66 -2.59 120.64 130.32 1iay n GLU 238 Ca 0.20 -2.81 0.18 0.00 -0.02 0.00 0.00 57.16 54.71 1iay n GLU 238 Cb 0.47 -2.13 0.81 0.00 -0.02 0.00 0.00 31.44 30.57 1iay n GLU 238 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1iay h ILE 239 N 1.56 0.00 -0.61 -3.67 2.10 -1.80 -2.52 117.51 112.58 1iay h ILE 239 Ca 0.48 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 66.09 1iay h ILE 239 Cb 0.56 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 1iay h ILE 239 CO 1.22 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 177.07 1iay n TYR 240 N -2.98 1.56 -0.35 2.19 4.01 -1.26 -4.14 117.16 116.19 1iay n TYR 240 Ca -0.00 -0.65 0.23 0.00 -0.16 0.00 0.00 57.90 57.32 1iay n TYR 240 Cb 0.23 -0.30 0.48 0.00 -0.31 0.00 0.00 39.34 39.44 1iay n TYR 240 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1iay h ALA 241 N 3.92 2.12 -0.70 -0.72 0.00 -1.71 -1.06 119.26 121.11 1iay h ALA 241 Ca 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1iay h ALA 241 Cb 1.55 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 19.30 1iay h ALA 241 CO 0.28 -0.61 0.22 0.00 0.00 0.00 0.00 179.25 179.15 1iay n ALA 242 N -2.41 4.43 0.46 0.00 0.00 -1.26 -4.18 120.51 117.55 1iay n ALA 242 Ca 0.28 -2.18 0.06 0.00 0.00 0.00 0.00 53.44 51.60 1iay n ALA 242 Cb 0.92 -1.23 0.05 0.00 0.00 0.00 0.00 19.45 19.19 1iay n ALA 242 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iay n THR 243 N 0.01 0.03 -1.83 0.00 -2.24 -0.40 -4.80 114.28 105.05 1iay n THR 243 Ca 0.38 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 1iay n THR 243 Cb 1.33 1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 70.75 1iay n THR 243 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1iay s VAL 244 N -0.96 2.70 0.00 2.28 1.01 -1.26 -3.77 120.40 120.40 1iay s VAL 244 Ca 0.14 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1iay s VAL 244 Cb 0.10 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1iay s VAL 244 CO 0.14 0.00 0.83 2.22 0.00 0.00 0.00 175.10 178.30 1iay n PHE 245 N 5.23 0.00 -3.56 5.22 1.16 0.04 -4.78 117.46 120.78 1iay n PHE 245 Ca 0.16 -0.34 -0.12 0.00 -1.87 0.00 0.00 57.45 55.28 1iay n PHE 245 Cb 0.39 -0.03 -0.05 0.00 -1.61 0.00 0.00 39.48 38.17 1iay n PHE 245 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1iay s ASP 246 N -0.69 -0.43 0.86 5.98 -1.08 -1.19 -4.61 116.67 115.50 1iay s ASP 246 Ca 0.00 0.43 -0.12 0.00 -0.52 0.00 0.00 52.55 52.34 1iay s ASP 246 Cb 0.00 0.36 0.10 0.00 -1.46 0.00 0.00 42.92 41.91 1iay s ASP 246 CO 0.00 -0.42 1.07 0.35 0.52 0.00 0.00 175.17 176.69 1iay n THR 247 N 0.68 1.09 -1.01 1.71 -2.24 -1.26 -4.65 114.28 108.59 1iay n THR 247 Ca -0.12 -0.14 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 1iay n THR 247 Cb 0.58 -1.05 0.21 0.00 -2.10 0.00 0.00 70.33 67.97 1iay n THR 247 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1iay s PRO 248 N -4.19 -0.38 0.24 -0.78 0.02 -1.26 -4.79 135.00 123.86 1iay s PRO 248 Ca 0.69 0.40 -0.15 0.00 0.02 0.00 0.00 61.00 61.96 1iay s PRO 248 Cb -0.26 -1.65 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 1iay s PRO 248 CO 0.55 -3.25 0.65 1.14 -0.33 0.00 0.00 177.00 175.77 1iay s GLN 249 N -4.98 4.01 -0.03 5.54 -2.07 -1.26 -4.99 119.66 115.89 1iay s GLN 249 Ca 0.67 0.60 -0.32 0.00 -1.82 0.00 0.00 55.36 54.49 1iay s GLN 249 Cb -0.18 -2.69 -0.10 0.00 -1.09 0.00 0.00 33.01 28.96 1iay s GLN 249 CO 0.58 0.31 1.95 0.34 -1.32 0.00 0.00 175.29 177.16 1iay n PHE 250 N 0.19 2.41 -3.47 9.60 7.35 -1.26 -4.96 117.46 127.31 1iay n PHE 250 Ca -0.00 -0.22 -0.43 0.00 -0.76 0.00 0.00 57.45 56.04 1iay n PHE 250 Cb 0.52 -2.74 -0.09 0.00 0.35 0.00 0.00 39.48 37.52 1iay n PHE 250 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1iay s VAL 251 N 4.53 5.02 0.63 -2.13 1.01 -1.26 -4.96 120.40 123.23 1iay s VAL 251 Ca 0.91 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 1iay s VAL 251 Cb -0.54 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1iay s VAL 251 CO 0.46 -0.44 1.04 -0.55 0.00 0.00 0.00 175.10 175.61 1iay s SER 252 N 2.11 5.80 0.44 3.32 0.15 -1.26 -4.94 113.70 119.32 1iay s SER 252 Ca 0.04 1.64 0.21 0.00 0.70 0.00 0.00 55.95 58.54 1iay s SER 252 Cb -0.22 -2.51 1.01 0.00 -1.71 0.00 0.00 66.02 62.59 1iay s SER 252 CO 0.07 -1.15 1.90 -0.29 1.20 0.00 0.00 173.24 174.97 1iay h ILE 253 N -0.07 0.85 -0.84 6.45 6.09 -1.97 -1.43 117.51 126.58 1iay h ILE 253 Ca -0.45 -1.02 -0.00 0.00 -1.37 0.00 0.00 64.86 62.01 1iay h ILE 253 Cb 1.21 1.61 -0.04 0.00 0.47 0.00 0.00 36.82 40.07 1iay h ILE 253 CO 0.58 0.25 0.52 0.00 -3.07 0.00 0.00 178.15 176.43 1iay h ALA 254 N 1.74 1.32 -0.33 0.18 0.00 -2.00 -2.42 119.26 117.74 1iay h ALA 254 Ca -0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1iay h ALA 254 Cb 0.59 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1iay h ALA 254 CO 0.03 0.59 -0.47 0.93 0.00 0.00 0.00 179.25 180.34 1iay h GLU 255 N 1.16 0.89 -0.51 0.00 5.08 -1.64 -3.02 114.58 116.55 1iay h GLU 255 Ca 0.30 -0.51 0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1iay h GLU 255 Cb -0.06 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1iay h GLU 255 CO -0.06 1.16 0.34 0.82 -1.00 0.00 0.00 179.01 180.27 1iay h ILE 256 N 0.71 0.92 0.00 3.13 1.08 -1.06 -2.04 117.51 120.24 1iay h ILE 256 Ca 0.04 -0.12 -0.09 0.00 -0.39 0.00 0.00 64.86 64.30 1iay h ILE 256 Cb 1.06 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 1iay h ILE 256 CO 0.11 0.06 -0.44 -0.07 -0.69 0.00 0.00 178.15 177.13 1iay h LEU 257 N 0.34 0.00 -0.94 1.44 3.38 -1.32 -3.14 115.31 115.06 1iay h LEU 257 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1iay h LEU 257 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1iay h LEU 257 CO -0.05 0.44 0.00 0.47 0.09 0.00 0.00 178.44 179.38 1iay n ASP 258 N -3.29 1.37 -4.88 -0.43 10.43 -0.77 -4.42 116.55 114.56 1iay n ASP 258 Ca 0.01 -2.00 -0.31 0.00 2.57 0.00 0.00 54.79 55.07 1iay n ASP 258 Cb 0.66 -0.17 -0.04 0.00 1.84 0.00 0.00 41.12 43.40 1iay n ASP 258 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1iay s GLU 259 N -1.66 3.78 0.12 -1.24 2.02 -1.19 -5.01 118.70 115.53 1iay s GLU 259 Ca 0.17 0.33 -0.21 0.00 0.02 0.00 0.00 54.97 55.28 1iay s GLU 259 Cb 0.09 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1iay s GLU 259 CO 0.12 0.15 1.70 0.37 0.02 0.00 0.00 175.26 177.61 1iay h GLN 260 N 1.85 -0.05 0.00 1.61 4.15 -1.90 -2.58 115.11 118.18 1iay h GLN 260 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1iay h GLN 260 Cb 1.18 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1iay h GLN 260 CO 0.66 -0.04 0.00 -0.85 -1.93 0.00 0.00 178.83 176.67 1iay n GLU 261 N -5.22 0.10 0.00 1.69 0.28 -1.26 -3.21 120.64 113.03 1iay n GLU 261 Ca -0.03 0.22 0.10 0.00 -0.16 0.00 0.00 57.16 57.29 1iay n GLU 261 Cb 0.14 -1.66 0.05 0.00 1.43 0.00 0.00 31.44 31.41 1iay n GLU 261 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1iay n MET 262 N -1.85 1.74 -0.38 3.44 2.81 -1.00 -4.58 117.12 117.31 1iay n MET 262 Ca 0.05 -1.44 0.35 0.00 -1.81 0.00 0.00 57.70 54.85 1iay n MET 262 Cb 0.29 -1.41 0.71 0.00 -0.71 0.00 0.00 33.22 32.10 1iay n MET 262 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1iay h THR 263 N 3.41 0.36 -0.39 2.03 2.02 -1.45 -1.94 112.91 116.95 1iay h THR 263 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1iay h THR 263 Cb 0.81 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1iay h THR 263 CO 0.00 0.01 0.00 -1.22 0.37 0.00 0.00 175.52 174.68 1iay n TYR 264 N -4.28 0.51 -2.58 3.16 4.02 -1.26 -4.94 117.16 111.80 1iay n TYR 264 Ca 0.29 -0.26 -0.36 0.00 -0.01 0.00 0.00 57.90 57.57 1iay n TYR 264 Cb 1.29 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.56 1iay n TYR 264 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iay s ASN 266 N -1.73 6.94 0.00 0.00 2.47 -1.26 -4.90 114.94 116.46 1iay s ASN 266 Ca 0.60 1.11 0.16 0.00 0.42 0.00 0.00 52.86 55.15 1iay s ASN 266 Cb -0.19 -2.54 0.75 0.00 -1.45 0.00 0.00 41.25 37.81 1iay s ASN 266 CO 0.24 -0.87 1.48 0.29 -3.72 0.00 0.00 177.10 174.52 1iay n LYS 267 N 6.83 0.13 0.03 0.43 4.01 -1.26 -2.14 118.16 126.19 1iay n LYS 267 Ca 0.12 0.18 0.13 0.00 -0.51 0.00 0.00 58.31 58.23 1iay n LYS 267 Cb 0.47 -1.50 0.54 0.00 -0.51 0.00 0.00 35.03 34.03 1iay n LYS 267 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1iay n ASP 268 N -1.38 0.20 -0.00 4.39 8.00 -1.26 -3.07 116.55 123.43 1iay n ASP 268 Ca 0.06 0.52 0.09 0.00 0.71 0.00 0.00 54.79 56.17 1iay n ASP 268 Cb 0.15 -0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 40.57 1iay n ASP 268 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1iay n LEU 269 N -1.69 0.89 -4.65 0.64 4.77 -0.91 -4.74 117.00 111.31 1iay n LEU 269 Ca 0.06 -0.49 -0.35 0.00 -0.03 0.00 0.00 56.01 55.21 1iay n LEU 269 Cb 0.35 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 1iay n LEU 269 CO 0.27 0.22 -0.28 -0.69 -1.33 0.00 0.00 177.39 175.58 1iay s VAL 270 N -2.84 4.55 -0.04 4.08 1.01 -1.17 0.08 120.40 126.07 1iay s VAL 270 Ca 0.07 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.81 1iay s VAL 270 Cb 0.15 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1iay s VAL 270 CO 0.80 0.53 0.24 -1.00 0.00 0.00 0.00 175.10 175.66 1iay s HIS 271 N -0.14 -0.16 0.00 5.22 3.76 -1.00 -2.20 115.29 120.77 1iay s HIS 271 Ca 0.06 0.33 0.03 0.00 -0.15 0.00 0.00 55.06 55.33 1iay s HIS 271 Cb -0.12 0.06 -0.03 0.00 1.11 0.00 0.00 32.58 33.59 1iay s HIS 271 CO 0.02 -0.26 -0.07 0.42 -0.85 0.00 0.00 174.74 174.00 1iay s ILE 272 N -0.74 3.60 -0.13 0.60 1.01 -0.44 -0.84 121.20 124.25 1iay s ILE 272 Ca -0.08 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1iay s ILE 272 Cb -0.04 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.88 1iay s ILE 272 CO 0.02 0.40 -0.17 -0.69 0.00 0.00 0.00 174.94 174.49 1iay s VAL 273 N -0.99 1.70 0.32 2.92 1.01 0.23 -1.63 120.40 123.96 1iay s VAL 273 Ca 0.17 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1iay s VAL 273 Cb -0.11 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1iay s VAL 273 CO 0.07 0.48 0.09 -0.47 0.00 0.00 0.00 175.10 175.27 1iay s TYR 274 N 1.06 1.79 0.01 5.22 5.04 -0.10 -1.66 117.35 128.72 1iay s TYR 274 Ca -0.04 -1.10 -0.28 0.00 -2.44 0.00 0.00 57.07 53.21 1iay s TYR 274 Cb -0.14 -1.13 0.10 0.00 0.35 0.00 0.00 41.96 41.14 1iay s TYR 274 CO -0.04 -0.17 0.91 0.45 -1.34 0.00 0.00 175.55 175.35 1iay s SER 275 N -3.45 -0.34 0.00 4.32 0.15 -1.26 -0.57 113.70 112.55 1iay s SER 275 Ca 0.35 -0.05 0.21 0.00 0.70 0.00 0.00 55.95 57.16 1iay s SER 275 Cb 0.07 0.39 0.24 0.00 -1.71 0.00 0.00 66.02 65.01 1iay s SER 275 CO 0.15 -0.64 1.23 0.18 1.20 0.00 0.00 173.24 175.35 1iay n LEU 276 N -0.27 2.95 0.25 3.45 4.77 -0.80 -4.56 117.00 122.80 1iay n LEU 276 Ca -0.08 -1.17 0.10 0.00 -0.03 0.00 0.00 56.01 54.83 1iay n LEU 276 Cb 0.62 -0.08 0.67 0.00 -2.33 0.00 0.00 43.42 42.30 1iay n LEU 276 CO 0.11 0.55 0.96 0.28 -1.33 0.00 0.00 177.39 177.97 1iay h SER 277 N 4.12 0.00 0.00 -1.43 0.02 -1.80 -3.02 113.55 111.44 1iay h SER 277 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1iay h SER 277 Cb 0.90 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 1iay h SER 277 CO 0.00 0.13 -1.76 0.29 -1.14 0.00 0.00 176.83 174.35 1iay n LYS 278 N -3.89 0.34 -0.28 3.45 4.76 -1.26 -3.66 118.16 117.62 1iay n LYS 278 Ca -0.02 0.08 0.07 0.00 -2.87 0.00 0.00 58.31 55.57 1iay n LYS 278 Cb 0.22 -1.27 0.22 0.00 -1.84 0.00 0.00 35.03 32.37 1iay n LYS 278 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1iay n ASP 279 N -2.90 2.73 0.00 4.39 5.68 -1.26 -3.95 116.55 121.24 1iay n ASP 279 Ca -0.24 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 51.99 1iay n ASP 279 Cb 0.75 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1iay n ASP 279 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1iay n MET 280 N 0.86 1.84 -2.67 0.11 2.81 -1.15 -4.91 117.12 114.01 1iay n MET 280 Ca 0.16 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.95 1iay n MET 280 Cb 0.45 -0.16 0.02 0.00 -0.71 0.00 0.00 33.22 32.82 1iay n MET 280 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iay n GLY 281 N 0.25 0.16 2.14 3.03 0.00 -1.21 -4.85 105.19 104.71 1iay n GLY 281 Ca 0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1iay n GLY 281 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iay n LEU 282 N -2.06 4.71 -0.03 0.99 4.77 -1.16 -4.83 117.00 119.40 1iay n LEU 282 Ca -0.04 -4.74 0.23 0.00 -0.03 0.00 0.00 56.01 51.42 1iay n LEU 282 Cb 0.55 -0.32 0.72 0.00 -2.33 0.00 0.00 43.42 42.04 1iay n LEU 282 CO 0.23 2.08 1.21 1.55 -1.33 0.00 0.00 177.39 181.12 1iay h PRO 283 N 2.27 0.00 0.00 3.23 0.13 -1.78 0.23 132.00 136.08 1iay h PRO 283 Ca 0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 1iay h PRO 283 Cb 1.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1iay h PRO 283 CO 0.75 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.93 1iay n GLY 284 N -1.62 -1.17 0.44 1.56 0.00 -1.26 -2.63 105.19 100.51 1iay n GLY 284 Ca 0.12 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1iay n GLY 284 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iay n PHE 285 N -1.49 0.00 -3.88 1.61 3.01 0.07 -4.97 117.46 111.81 1iay n PHE 285 Ca 0.05 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.24 1iay n PHE 285 Cb 0.23 -0.05 -0.00 0.00 -0.01 0.00 0.00 39.48 39.65 1iay n PHE 285 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1iay n ARG 286 N -0.07 -2.73 -3.31 -1.08 5.12 -1.08 -4.77 116.66 108.74 1iay n ARG 286 Ca 0.14 0.41 -0.47 0.00 -1.93 0.00 0.00 57.85 56.00 1iay n ARG 286 Cb 0.40 -4.37 -0.02 0.00 -1.16 0.00 0.00 32.46 27.30 1iay n ARG 286 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1iay s VAL 287 N -3.81 5.58 -0.03 1.55 1.01 -1.26 -3.35 120.40 120.08 1iay s VAL 287 Ca 0.14 -2.43 0.01 0.00 0.00 0.00 0.00 61.98 59.70 1iay s VAL 287 Cb -0.05 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1iay s VAL 287 CO 0.88 -1.05 -0.01 -0.83 0.00 0.00 0.00 175.10 174.10 1iay s GLY 288 N 2.23 1.84 0.06 4.51 0.00 -1.06 -1.90 107.32 113.01 1iay s GLY 288 Ca 0.18 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 44.04 1iay s GLY 288 CO -0.09 -0.74 -0.13 -0.42 0.00 0.00 0.00 173.10 171.72 1iay s ILE 289 N -1.00 1.04 -0.17 0.90 1.09 0.26 -1.76 121.20 121.57 1iay s ILE 289 Ca 0.17 -1.18 -0.00 0.00 -1.10 0.00 0.00 60.65 58.54 1iay s ILE 289 Cb -0.11 -0.99 0.04 0.00 -1.06 0.00 0.00 42.46 40.33 1iay s ILE 289 CO 0.07 -0.17 -0.08 -0.63 -0.10 0.00 0.00 174.94 174.03 1iay s ILE 290 N -1.14 1.31 -0.49 2.92 1.01 -0.41 -0.92 121.20 123.48 1iay s ILE 290 Ca -0.02 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1iay s ILE 290 Cb -0.09 -1.40 0.13 0.00 0.01 0.00 0.00 42.46 41.11 1iay s ILE 290 CO 0.02 0.21 0.25 -0.47 0.00 0.00 0.00 174.94 174.95 1iay s TYR 291 N 1.56 3.46 -0.14 3.97 5.04 -0.65 -2.47 117.35 128.12 1iay s TYR 291 Ca 0.01 -2.84 -0.10 0.00 -2.44 0.00 0.00 57.07 51.70 1iay s TYR 291 Cb -0.15 -3.04 -0.05 0.00 0.35 0.00 0.00 41.96 39.07 1iay s TYR 291 CO -0.08 -0.87 0.20 0.45 -1.34 0.00 0.00 175.55 173.91 1iay s SER 292 N 0.71 6.39 0.00 4.32 0.15 -1.26 -1.33 113.70 122.68 1iay s SER 292 Ca 0.14 0.45 0.15 0.00 0.70 0.00 0.00 55.95 57.39 1iay s SER 292 Cb -0.22 -2.12 0.89 0.00 -1.71 0.00 0.00 66.02 62.86 1iay s SER 292 CO -0.04 0.26 1.54 0.49 1.20 0.00 0.00 173.24 176.69 1iay n PHE 293 N 2.80 0.00 -3.81 3.44 3.01 -0.93 -4.64 117.46 117.34 1iay n PHE 293 Ca -0.16 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.94 1iay n PHE 293 Cb 0.53 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.87 1iay n PHE 293 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1iay s ASN 294 N -1.52 4.86 0.33 4.37 3.84 -1.21 -4.39 114.94 121.21 1iay s ASN 294 Ca 0.22 -0.38 0.03 0.00 0.21 0.00 0.00 52.86 52.94 1iay s ASN 294 Cb 0.10 -1.85 0.56 0.00 -0.55 0.00 0.00 41.25 39.51 1iay s ASN 294 CO 0.17 -0.07 1.87 0.44 -2.79 0.00 0.00 177.10 176.73 1iay h ASP 295 N 8.20 0.57 -0.33 -4.21 5.19 -1.93 -0.56 116.42 123.35 1iay h ASP 295 Ca -0.38 -0.10 -0.12 0.00 -0.62 0.00 0.00 57.03 55.82 1iay h ASP 295 Cb 1.16 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 1iay h ASP 295 CO 0.59 0.60 -0.25 0.44 -3.12 0.00 0.00 179.24 177.51 1iay h ASP 296 N 0.59 0.79 -0.53 6.45 3.32 -1.97 -1.96 116.42 123.11 1iay h ASP 296 Ca 0.13 -0.44 -0.04 0.00 0.02 0.00 0.00 57.03 56.70 1iay h ASP 296 Cb 0.29 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1iay h ASP 296 CO 0.00 1.06 0.19 0.58 -1.72 0.00 0.00 179.24 179.35 1iay h VAL 297 N 0.52 1.23 -0.76 -1.35 2.07 -1.91 -0.71 116.25 115.34 1iay h VAL 297 Ca 0.06 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 66.94 1iay h VAL 297 Cb 0.81 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 1iay h VAL 297 CO 0.07 0.28 0.40 0.58 0.02 0.00 0.00 177.57 178.91 1iay h VAL 298 N 0.72 0.87 0.45 2.57 2.07 -0.98 0.48 116.25 122.43 1iay h VAL 298 Ca 0.17 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1iay h VAL 298 Cb 0.24 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1iay h VAL 298 CO -0.01 0.12 -0.22 0.78 0.02 0.00 0.00 177.57 178.27 1iay h ASN 299 N 0.67 -0.51 -0.96 0.57 2.35 -0.69 -1.37 115.58 115.65 1iay h ASN 299 Ca 0.37 0.02 0.18 0.00 -0.55 0.00 0.00 56.30 56.32 1iay h ASN 299 Cb 0.37 0.13 -0.09 0.00 0.05 0.00 0.00 38.32 38.79 1iay h ASN 299 CO -0.26 -0.35 0.61 0.00 -1.65 0.00 0.00 177.43 175.78 1iay h ALA 301 N 1.62 0.87 -0.06 0.00 0.00 0.04 -2.46 119.26 119.27 1iay h ALA 301 Ca 0.52 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1iay h ALA 301 Cb 0.93 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1iay h ALA 301 CO -0.28 0.65 -0.02 -0.09 0.00 0.00 0.00 179.25 179.50 1iay h ARG 302 N 1.01 0.12 -0.56 0.00 2.43 0.09 -1.78 114.38 115.69 1iay h ARG 302 Ca 0.20 -0.05 0.16 0.00 -0.81 0.00 0.00 59.98 59.48 1iay h ARG 302 Cb 0.45 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1iay h ARG 302 CO 0.01 0.49 0.42 0.87 -1.51 0.00 0.00 179.97 180.25 1iay h LYS 303 N -0.25 0.00 0.00 0.20 1.57 -1.27 0.43 116.57 117.24 1iay h LYS 303 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1iay h LYS 303 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1iay h LYS 303 CO 0.01 0.00 -0.40 -1.33 -0.57 0.00 0.00 179.45 177.15 1iay n MET 304 N -4.29 0.21 0.21 3.15 2.81 -0.93 -3.72 117.12 114.57 1iay n MET 304 Ca 0.11 0.09 0.15 0.00 -1.81 0.00 0.00 57.70 56.24 1iay n MET 304 Cb 0.65 -1.67 0.59 0.00 -0.71 0.00 0.00 33.22 32.09 1iay n MET 304 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1iay h SER 305 N 0.00 0.00 0.00 7.83 4.64 0.75 -2.83 113.55 123.94 1iay h SER 305 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iay h SER 305 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1iay h SER 305 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1iay n SER 306 N -2.69 0.06 -0.00 4.97 3.41 -1.24 -0.74 113.62 117.39 1iay n SER 306 Ca 0.01 -1.19 0.05 0.00 -0.26 0.00 0.00 58.87 57.49 1iay n SER 306 Cb 0.27 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 1iay n SER 306 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1iay n PHE 307 N -0.43 0.00 -2.72 7.33 3.72 -1.07 -4.75 117.46 119.55 1iay n PHE 307 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 1iay n PHE 307 Cb 0.02 -0.14 0.08 0.00 -0.94 0.00 0.00 39.48 38.50 1iay n PHE 307 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iay n GLY 308 N 1.59 1.43 3.76 1.37 0.00 0.08 -4.93 105.19 108.50 1iay n GLY 308 Ca -0.00 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 1iay n GLY 308 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iay s LEU 309 N -3.05 4.51 0.40 0.99 1.43 -0.56 -2.17 118.68 120.23 1iay s LEU 309 Ca 0.24 2.22 -0.26 0.00 -1.03 0.00 0.00 54.13 55.31 1iay s LEU 309 Cb 0.41 -3.70 -0.09 0.00 0.03 0.00 0.00 46.19 42.84 1iay s LEU 309 CO -0.05 -0.17 1.24 -0.69 0.23 0.00 0.00 176.35 176.92 1iay s VAL 310 N -1.23 2.85 0.24 -1.59 1.01 -1.26 -4.93 120.40 115.50 1iay s VAL 310 Ca 0.46 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 1iay s VAL 310 Cb -0.30 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 1iay s VAL 310 CO 0.39 0.09 1.48 -0.55 0.00 0.00 0.00 175.10 176.51 1iay s SER 311 N -0.90 6.60 0.38 3.32 0.15 -1.26 -4.81 113.70 117.17 1iay s SER 311 Ca 0.57 2.70 0.09 0.00 0.70 0.00 0.00 55.95 60.01 1iay s SER 311 Cb -0.35 -2.62 0.84 0.00 -1.71 0.00 0.00 66.02 62.18 1iay s SER 311 CO 0.44 -0.75 1.92 0.71 1.20 0.00 0.00 173.24 176.76 1iay h THR 312 N 3.59 0.91 -0.65 6.45 1.35 -1.90 0.52 112.91 123.18 1iay h THR 312 Ca -0.46 -0.22 0.01 0.00 -0.55 0.00 0.00 66.41 65.19 1iay h THR 312 Cb 1.22 0.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 1iay h THR 312 CO 0.80 0.12 0.43 -0.61 -0.25 0.00 0.00 175.52 176.01 1iay h GLN 313 N 0.65 0.84 0.04 4.72 4.15 -1.89 0.22 115.11 123.84 1iay h GLN 313 Ca 0.37 -0.05 -0.26 0.00 0.77 0.00 0.00 58.65 59.48 1iay h GLN 313 Cb 0.54 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1iay h GLN 313 CO -0.14 0.56 -1.34 1.15 -1.93 0.00 0.00 178.83 177.13 1iay h THR 314 N 0.87 1.32 -0.57 2.39 2.02 -0.72 -3.15 112.91 115.07 1iay h THR 314 Ca 0.24 -3.05 -0.05 0.00 0.77 0.00 0.00 66.41 64.32 1iay h THR 314 Cb -0.09 2.71 -0.03 0.00 -1.74 0.00 0.00 68.15 69.01 1iay h THR 314 CO -0.05 0.80 0.14 1.56 0.37 0.00 0.00 175.52 178.34 1iay h GLN 315 N 0.02 0.88 0.34 6.66 4.20 0.35 -2.09 115.11 125.46 1iay h GLN 315 Ca -0.15 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 1iay h GLN 315 Cb 1.91 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.56 1iay h GLN 315 CO 0.13 0.79 -0.16 -0.92 -0.67 0.00 0.00 178.83 178.00 1iay h TYR 316 N 0.85 -0.42 -0.79 2.96 3.20 -1.03 -1.32 116.97 120.42 1iay h TYR 316 Ca 0.19 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.10 1iay h TYR 316 Cb 0.30 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.66 1iay h TYR 316 CO 0.02 -0.17 0.52 0.35 -1.64 0.00 0.00 178.16 177.24 1iay h PHE 317 N -0.60 0.89 0.06 -3.82 3.57 -1.48 -2.26 116.94 113.30 1iay h PHE 317 Ca -0.05 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.24 1iay h PHE 317 Cb 0.44 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1iay h PHE 317 CO -0.02 0.48 -1.08 -0.07 -2.23 0.00 0.00 178.31 175.40 1iay h LEU 318 N 0.89 0.26 -1.42 0.59 3.38 -1.33 -2.17 115.31 115.50 1iay h LEU 318 Ca 0.33 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1iay h LEU 318 Cb 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1iay h LEU 318 CO -0.11 1.16 -0.02 0.00 0.09 0.00 0.00 178.44 179.57 1iay h ALA 319 N 0.80 1.54 0.25 1.53 0.00 -0.84 0.68 119.26 123.22 1iay h ALA 319 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1iay h ALA 319 Cb 1.79 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1iay h ALA 319 CO 0.16 0.34 -0.12 0.00 0.00 0.00 0.00 179.25 179.63 1iay h ALA 320 N 1.65 -0.34 -0.58 0.00 0.00 -1.32 -3.00 119.26 115.67 1iay h ALA 320 Ca 0.08 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1iay h ALA 320 Cb 0.26 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1iay h ALA 320 CO 0.01 -0.37 -0.04 1.98 0.00 0.00 0.00 179.25 180.83 1iay h MET 321 N -0.98 1.05 0.00 0.00 -1.53 -1.34 -2.88 114.93 109.25 1iay h MET 321 Ca -0.03 -0.35 0.00 0.00 -3.44 0.00 0.00 59.70 55.88 1iay h MET 321 Cb 0.46 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.42 1iay h MET 321 CO 0.06 1.05 0.00 1.28 0.14 0.00 0.00 176.91 179.43 1iay n LEU 322 N -4.17 0.00 0.01 3.39 4.77 0.23 -2.50 117.00 118.73 1iay n LEU 322 Ca 0.03 0.14 0.11 0.00 -0.03 0.00 0.00 56.01 56.26 1iay n LEU 322 Cb 0.37 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1iay n LEU 322 CO 0.45 -0.01 0.08 -1.20 -1.33 0.00 0.00 177.39 175.37 1iay n SER 323 N -1.14 0.68 -4.48 -1.43 7.64 -1.09 -4.68 113.62 109.11 1iay n SER 323 Ca 0.18 -0.44 -0.43 0.00 1.01 0.00 0.00 58.87 59.18 1iay n SER 323 Cb 0.16 0.75 -0.02 0.00 -1.01 0.00 0.00 64.21 64.09 1iay n SER 323 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1iay s ASP 324 N -3.43 6.76 0.24 6.43 2.15 -1.04 -4.88 116.67 122.90 1iay s ASP 324 Ca 0.06 -2.29 -0.09 0.00 0.43 0.00 0.00 52.55 50.66 1iay s ASP 324 Cb 0.16 -2.44 0.37 0.00 -0.30 0.00 0.00 42.92 40.70 1iay s ASP 324 CO 0.80 -1.04 1.62 -0.08 -0.17 0.00 0.00 175.17 176.30 1iay h GLU 325 N 8.34 0.05 -0.56 4.34 4.81 -1.86 0.44 114.58 130.15 1iay h GLU 325 Ca 0.24 -0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.58 1iay h GLU 325 Cb 0.96 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.24 1iay h GLU 325 CO 1.23 0.03 0.01 0.87 -0.73 0.00 0.00 179.01 180.41 1iay h LYS 326 N 0.05 0.12 0.23 1.92 1.57 -1.96 0.32 116.57 118.82 1iay h LYS 326 Ca 0.38 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 1iay h LYS 326 Cb 0.63 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1iay h LYS 326 CO -0.70 0.08 -0.11 0.35 -0.57 0.00 0.00 179.45 178.50 1iay h PHE 327 N 0.12 -0.29 -0.90 -1.35 3.57 -1.31 -1.67 116.94 115.11 1iay h PHE 327 Ca 0.29 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.83 1iay h PHE 327 Cb 0.45 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1iay h PHE 327 CO -0.33 -0.09 0.57 0.28 -2.23 0.00 0.00 178.31 176.51 1iay h VAL 328 N -0.43 1.09 -0.45 1.41 2.07 -0.51 0.97 116.25 120.40 1iay h VAL 328 Ca -0.03 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 1iay h VAL 328 Cb 0.33 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1iay h VAL 328 CO 0.05 0.20 -0.14 0.44 0.02 0.00 0.00 177.57 178.14 1iay h ASP 329 N 1.07 0.90 -0.26 0.57 3.32 -0.31 -2.48 116.42 119.23 1iay h ASP 329 Ca 0.38 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1iay h ASP 329 Cb 0.12 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1iay h ASP 329 CO -0.16 1.07 0.09 -1.13 -1.72 0.00 0.00 179.24 177.39 1iay h ASN 330 N 0.72 0.38 0.36 6.45 -1.24 -0.75 -2.80 115.58 118.69 1iay h ASN 330 Ca 0.11 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 56.91 1iay h ASN 330 Cb 0.69 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 1iay h ASN 330 CO 0.05 0.47 -0.29 0.15 -1.29 0.00 0.00 177.43 176.53 1iay h PHE 331 N 0.26 -0.78 -1.07 0.67 3.57 -0.78 1.14 116.94 119.95 1iay h PHE 331 Ca 0.08 0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.87 1iay h PHE 331 Cb 0.23 0.29 -0.10 0.00 2.79 0.00 0.00 35.95 39.16 1iay h PHE 331 CO 0.00 -0.40 0.68 -0.07 -2.23 0.00 0.00 178.31 176.30 1iay h LEU 332 N -0.62 0.44 0.02 0.59 3.38 -1.52 0.97 115.31 118.56 1iay h LEU 332 Ca -0.05 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1iay h LEU 332 Cb 0.52 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1iay h LEU 332 CO 0.00 0.05 -0.01 -0.09 0.09 0.00 0.00 178.44 178.49 1iay h ARG 333 N 0.37 -0.03 -0.26 1.13 2.43 -1.19 -3.05 114.38 113.77 1iay h ARG 333 Ca 0.62 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.85 1iay h ARG 333 Cb 1.61 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 31.11 1iay h ARG 333 CO -0.32 0.34 -0.09 1.49 -1.51 0.00 0.00 179.97 179.88 1iay h GLU 334 N -1.00 -0.03 -0.47 0.20 4.57 0.21 -2.20 114.58 115.86 1iay h GLU 334 Ca -0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1iay h GLU 334 Cb 0.38 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 1iay h GLU 334 CO 0.00 -0.02 0.17 1.03 -1.18 0.00 0.00 179.01 179.01 1iay h SER 335 N -0.03 0.17 -0.73 1.04 0.87 0.80 -1.79 113.55 113.89 1iay h SER 335 Ca 0.13 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1iay h SER 335 Cb 0.23 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 1iay h SER 335 CO -0.29 0.13 0.45 0.00 -0.53 0.00 0.00 176.83 176.59 1iay h ALA 336 N 1.31 1.41 -0.78 6.23 0.00 -1.36 -1.83 119.26 124.25 1iay h ALA 336 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1iay h ALA 336 Cb 0.23 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1iay h ALA 336 CO -0.23 0.52 0.46 1.98 0.00 0.00 0.00 179.25 181.98 1iay h MET 337 N 1.01 1.06 -0.04 0.00 -1.53 -0.72 -2.04 114.93 112.68 1iay h MET 337 Ca 0.27 -0.10 -0.03 0.00 -3.44 0.00 0.00 59.70 56.39 1iay h MET 337 Cb -0.06 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 30.78 1iay h MET 337 CO -0.05 0.76 -0.09 0.00 0.14 0.00 0.00 176.91 177.67 1iay h ARG 338 N 1.07 0.13 -0.82 0.39 3.08 -1.14 -1.89 114.38 115.20 1iay h ARG 338 Ca 0.28 -0.09 0.13 0.00 0.07 0.00 0.00 59.98 60.37 1iay h ARG 338 Cb -0.02 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 29.95 1iay h ARG 338 CO -0.05 0.69 0.41 -0.07 -1.07 0.00 0.00 179.97 179.88 1iay h LEU 339 N -0.41 0.50 -0.32 3.04 3.38 -1.28 0.24 115.31 120.46 1iay h LEU 339 Ca -0.00 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1iay h LEU 339 Cb 0.69 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1iay h LEU 339 CO 0.02 0.23 -0.03 1.23 0.09 0.00 0.00 178.44 179.98 1iay h GLY 340 N 0.61 0.63 0.42 0.83 0.00 -1.37 -0.24 103.07 103.95 1iay h GLY 340 Ca 0.44 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1iay h GLY 340 CO -0.35 0.44 -0.51 1.70 0.00 0.00 0.00 176.54 177.83 1iay h LYS 341 N 0.37 -0.91 -0.34 4.80 1.63 -0.41 -1.51 116.57 120.21 1iay h LYS 341 Ca 0.09 0.06 0.07 0.00 -0.85 0.00 0.00 60.65 60.02 1iay h LYS 341 Cb 0.49 0.21 -0.07 0.00 -0.60 0.00 0.00 32.23 32.26 1iay h LYS 341 CO 0.02 -0.61 -0.14 -0.09 -3.45 0.00 0.00 179.45 175.18 1iay h ARG 342 N -0.94 -0.08 0.32 1.90 9.65 -0.51 -1.58 114.38 123.14 1iay h ARG 342 Ca -0.05 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1iay h ARG 342 Cb 0.85 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.42 1iay h ARG 342 CO -0.12 -0.05 -0.40 1.25 2.80 0.00 0.00 179.97 183.44 1iay h HIS 343 N -0.08 -1.10 -0.52 2.20 2.76 -0.85 -1.60 115.15 115.95 1iay h HIS 343 Ca 0.17 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.40 1iay h HIS 343 Cb 0.34 0.44 -0.05 0.00 1.55 0.00 0.00 27.41 29.70 1iay h HIS 343 CO -0.36 -0.54 0.25 0.87 -1.30 0.00 0.00 177.93 176.85 1iay h LYS 344 N -0.77 0.48 -0.61 5.26 6.56 -1.13 0.10 116.57 126.46 1iay h LYS 344 Ca -0.02 -0.03 0.11 0.00 -1.06 0.00 0.00 60.65 59.65 1iay h LYS 344 Cb 0.71 -0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 32.23 1iay h LYS 344 CO -0.11 0.32 0.41 1.25 -2.06 0.00 0.00 179.45 179.25 1iay h HIS 345 N 0.49 0.41 0.02 -1.35 2.76 -1.05 0.85 115.15 117.28 1iay h HIS 345 Ca 0.23 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.33 1iay h HIS 345 Cb 0.16 -0.13 0.01 0.00 1.55 0.00 0.00 27.41 28.99 1iay h HIS 345 CO -0.11 0.19 -0.34 0.35 -1.30 0.00 0.00 177.93 176.72 1iay h PHE 346 N 0.38 0.29 -0.28 5.26 3.57 -0.21 -3.07 116.94 122.88 1iay h PHE 346 Ca 0.28 -0.18 0.04 0.00 3.53 0.00 0.00 57.97 61.65 1iay h PHE 346 Cb 0.61 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1iay h PHE 346 CO -0.00 1.03 0.04 1.15 -2.23 0.00 0.00 178.31 178.30 1iay h THR 347 N -0.53 0.85 -0.33 4.41 2.02 -0.36 -2.16 112.91 116.81 1iay h THR 347 Ca -0.05 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1iay h THR 347 Cb 1.14 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1iay h THR 347 CO 0.06 0.03 0.06 0.78 0.37 0.00 0.00 175.52 176.82 1iay h ASN 348 N 0.14 0.00 -0.83 4.18 2.35 -0.97 -1.01 115.58 119.45 1iay h ASN 348 Ca 0.13 0.05 0.10 0.00 -0.55 0.00 0.00 56.30 56.04 1iay h ASN 348 Cb 0.15 0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.52 1iay h ASN 348 CO -0.19 0.04 0.47 1.23 -1.65 0.00 0.00 177.43 177.33 1iay h GLY 349 N 0.18 1.30 1.43 2.83 0.00 -1.36 -1.30 103.07 106.14 1iay h GLY 349 Ca 0.16 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1iay h GLY 349 CO -0.21 0.11 -0.02 1.41 0.00 0.00 0.00 176.54 177.84 1iay h LEU 350 N 0.78 0.66 0.00 3.11 3.38 -0.69 -2.15 115.31 120.40 1iay h LEU 350 Ca 0.41 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1iay h LEU 350 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1iay h LEU 350 CO -0.26 0.75 0.00 -0.62 0.09 0.00 0.00 178.44 178.40 1iay n GLU 351 N -4.23 0.16 0.14 1.13 1.02 -0.47 0.12 120.64 118.52 1iay n GLU 351 Ca 0.02 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.13 1iay n GLU 351 Cb 0.29 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.14 1iay n GLU 351 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1iay h VAL 352 N 0.00 0.61 0.00 2.62 2.07 -0.84 -2.70 116.25 118.01 1iay h VAL 352 Ca 0.00 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1iay h VAL 352 Cb 0.31 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1iay h VAL 352 CO 0.00 0.13 0.00 1.33 0.02 0.00 0.00 177.57 179.05 1iay n VAL 353 N -5.08 0.00 -1.77 2.57 0.24 -1.16 -4.85 118.33 108.28 1iay n VAL 353 Ca -0.09 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.18 1iay n VAL 353 Cb 0.27 -0.10 -0.01 0.00 -1.47 0.00 0.00 33.84 32.53 1iay n VAL 353 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iay n GLY 354 N 0.38 0.36 3.62 7.63 0.00 -1.00 -5.00 105.19 111.17 1iay n GLY 354 Ca 0.00 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 1iay n GLY 354 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iay s ILE 355 N -2.17 5.21 0.05 -0.61 1.01 0.33 -4.92 121.20 120.10 1iay s ILE 355 Ca 0.00 0.53 -0.08 0.00 0.00 0.00 0.00 60.65 61.09 1iay s ILE 355 Cb 0.00 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1iay s ILE 355 CO 0.00 0.20 0.34 -0.54 0.00 0.00 0.00 174.94 174.94 1iay s LYS 356 N 1.79 3.67 0.37 2.79 -0.14 -1.26 -3.02 119.74 123.93 1iay s LYS 356 Ca 0.14 0.05 0.08 0.00 -1.36 0.00 0.00 55.97 54.88 1iay s LYS 356 Cb -0.15 -3.04 -0.07 0.00 -1.68 0.00 0.00 37.83 32.89 1iay s LYS 356 CO 0.09 0.60 -0.03 0.00 -0.76 0.00 0.00 175.35 175.25 1iay s LEU 358 N -3.64 4.19 0.18 0.00 2.96 -0.79 -4.94 118.68 116.64 1iay s LEU 358 Ca 0.34 1.55 -0.33 0.00 -0.22 0.00 0.00 54.13 55.46 1iay s LEU 358 Cb 0.07 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 43.06 1iay s LEU 358 CO 0.17 -0.61 1.42 1.17 -1.32 0.00 0.00 176.35 177.18 1iay n LYS 359 N 5.80 1.82 -3.71 1.98 4.81 -1.26 -4.58 118.16 123.02 1iay n LYS 359 Ca 0.11 0.65 -0.11 0.00 -0.87 0.00 0.00 58.31 58.10 1iay n LYS 359 Cb 0.47 -2.32 -0.06 0.00 0.02 0.00 0.00 35.03 33.13 1iay n LYS 359 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1iay s ASN 360 N 0.47 -0.14 -0.07 3.14 4.22 -1.26 -4.91 114.94 116.40 1iay s ASN 360 Ca 0.75 -0.30 0.11 0.00 -2.14 0.00 0.00 52.86 51.27 1iay s ASN 360 Cb -0.73 0.41 0.20 0.00 1.28 0.00 0.00 41.25 42.41 1iay s ASN 360 CO 0.46 -0.74 1.10 -0.46 -2.04 0.00 0.00 177.10 175.42 1iay n ASN 361 N 0.13 1.10 -3.48 3.54 6.94 -1.14 -4.92 115.26 117.42 1iay n ASN 361 Ca -0.17 -2.56 -0.05 0.00 -0.02 0.00 0.00 54.58 51.78 1iay n ASN 361 Cb 0.62 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 1iay n ASN 361 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iay s ALA 362 N -1.30 -1.37 0.00 -2.53 0.00 -0.97 -0.78 121.76 114.81 1iay s ALA 362 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1iay s ALA 362 Cb 0.18 0.71 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1iay s ALA 362 CO -0.02 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.11 1iay n GLY 363 N -0.54 -2.01 1.44 0.00 0.00 -1.25 -4.42 105.19 98.41 1iay n GLY 363 Ca -0.05 -1.91 -0.01 0.00 0.00 0.00 0.00 46.02 44.04 1iay n GLY 363 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iay n LEU 364 N 0.00 2.54 0.00 0.99 4.77 -1.26 -4.90 117.00 119.15 1iay n LEU 364 Ca 0.00 -3.45 -0.00 0.00 -0.03 0.00 0.00 56.01 52.53 1iay n LEU 364 Cb 0.00 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1iay n LEU 364 CO 0.00 1.26 0.05 2.22 -1.33 0.00 0.00 177.39 179.59 1iay n PHE 365 N -0.53 -0.87 -3.79 -1.77 1.16 -1.26 -2.26 117.46 108.14 1iay n PHE 365 Ca 0.19 -0.12 -0.13 0.00 -1.87 0.00 0.00 57.45 55.52 1iay n PHE 365 Cb 0.89 0.06 -0.09 0.00 -1.61 0.00 0.00 39.48 38.72 1iay n PHE 365 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1iay s TRP 367 N -1.29 3.68 0.35 0.00 -0.00 -1.26 -1.87 118.94 118.55 1iay s TRP 367 Ca -0.13 -2.17 -0.27 0.00 -0.00 0.00 0.00 56.10 53.53 1iay s TRP 367 Cb -0.06 -4.14 -0.09 0.00 -0.00 0.00 0.00 33.47 29.18 1iay s TRP 367 CO 0.03 -1.26 1.10 1.41 -0.00 0.00 0.00 176.95 178.24 1iay s MET 368 N 0.85 4.34 -0.35 5.86 -2.45 -0.26 -1.89 119.30 125.39 1iay s MET 368 Ca 0.36 1.73 -0.09 0.00 -1.25 0.00 0.00 55.69 56.44 1iay s MET 368 Cb -0.06 -2.85 0.03 0.00 1.25 0.00 0.00 34.83 33.20 1iay s MET 368 CO -0.04 -0.04 0.15 0.34 1.05 0.00 0.00 175.02 176.48 1iay s ASP 369 N -1.16 5.51 -0.19 1.11 -1.08 -0.90 -1.24 116.67 118.73 1iay s ASP 369 Ca 0.52 -0.96 0.16 0.00 -0.52 0.00 0.00 52.55 51.75 1iay s ASP 369 Cb -0.29 -1.96 0.46 0.00 -1.46 0.00 0.00 42.92 39.68 1iay s ASP 369 CO 0.36 -0.32 1.35 0.18 0.52 0.00 0.00 175.17 177.26 1iay n LEU 370 N 4.92 3.49 -0.33 -1.34 4.77 0.32 -4.45 117.00 124.38 1iay n LEU 370 Ca -0.13 -3.19 0.14 0.00 -0.03 0.00 0.00 56.01 52.80 1iay n LEU 370 Cb 0.46 -0.53 0.35 0.00 -2.33 0.00 0.00 43.42 41.37 1iay n LEU 370 CO 0.34 0.81 1.21 0.03 -1.33 0.00 0.00 177.39 178.44 1iay h ARG 371 N 1.17 0.69 0.00 3.23 3.08 -1.85 0.10 114.38 120.81 1iay h ARG 371 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1iay h ARG 371 Cb 1.35 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1iay h ARG 371 CO 0.19 0.46 0.00 -1.00 -1.07 0.00 0.00 179.97 178.55 1iay h PRO 372 N 0.71 0.00 0.00 0.04 0.13 -1.92 -2.42 132.00 128.54 1iay h PRO 372 Ca 0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.68 1iay h PRO 372 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1iay h PRO 372 CO -0.32 0.00 -0.57 1.28 -0.23 0.00 0.00 178.00 178.15 1iay n LEU 373 N -2.82 0.66 -4.76 1.56 4.77 0.34 -4.87 117.00 111.88 1iay n LEU 373 Ca 0.00 0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.80 1iay n LEU 373 Cb 0.24 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1iay n LEU 373 CO 0.23 -0.04 0.94 -0.76 -1.33 0.00 0.00 177.39 176.44 1iay s LEU 374 N -4.06 4.45 0.40 2.23 1.43 -0.91 -4.90 118.68 117.32 1iay s LEU 374 Ca 0.07 2.55 0.22 0.00 -1.03 0.00 0.00 54.13 55.94 1iay s LEU 374 Cb 0.14 -3.64 0.71 0.00 0.03 0.00 0.00 46.19 43.43 1iay s LEU 374 CO 0.71 -0.45 1.74 0.03 0.23 0.00 0.00 176.35 178.60 1iay h ARG 375 N 3.85 0.00 -3.66 1.70 2.47 -1.88 -3.46 114.38 113.39 1iay h ARG 375 Ca -0.48 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.11 1iay h ARG 375 Cb 1.22 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.48 1iay h ARG 375 CO 0.68 0.29 -0.04 -1.21 0.56 0.00 0.00 179.97 180.24 1iay s GLU 376 N -3.51 1.86 -0.96 0.04 2.02 -1.26 -5.06 118.70 111.84 1iay s GLU 376 Ca 0.01 -1.49 -0.01 0.00 0.02 0.00 0.00 54.97 53.51 1iay s GLU 376 Cb 0.10 0.50 0.33 0.00 0.10 0.00 0.00 34.13 35.16 1iay s GLU 376 CO 0.66 -0.80 1.87 0.43 0.02 0.00 0.00 175.26 177.44 1iay n SER 377 N -1.03 7.34 -4.22 -0.19 7.64 -1.26 -4.80 113.62 117.10 1iay n SER 377 Ca -0.02 -3.74 -0.17 0.00 1.01 0.00 0.00 58.87 55.95 1iay n SER 377 Cb 0.61 -1.12 -0.11 0.00 -1.01 0.00 0.00 64.21 62.58 1iay n SER 377 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1iay s THR 378 N -4.58 1.23 0.36 0.44 -4.23 -1.26 -4.87 115.64 102.73 1iay s THR 378 Ca 0.43 -1.64 0.26 0.00 -1.18 0.00 0.00 61.69 59.57 1iay s THR 378 Cb 0.27 -1.43 0.28 0.00 1.34 0.00 0.00 72.50 72.96 1iay s THR 378 CO -0.22 -0.41 2.02 -0.26 -0.54 0.00 0.00 174.62 175.21 1iay h PHE 379 N 3.65 0.00 -0.47 3.99 0.04 -1.98 -2.01 116.94 120.16 1iay h PHE 379 Ca -0.40 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.37 1iay h PHE 379 Cb 1.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 1iay h PHE 379 CO 0.65 0.15 0.25 -0.44 -0.60 0.00 0.00 178.31 178.32 1iay h ASP 380 N 0.00 0.58 -0.47 2.17 3.32 -1.96 0.15 116.42 120.22 1iay h ASP 380 Ca -0.00 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1iay h ASP 380 Cb 0.42 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1iay h ASP 380 CO 0.02 0.51 0.10 0.28 -1.72 0.00 0.00 179.24 178.43 1iay h SER 381 N 0.61 0.72 -0.88 6.45 0.02 -1.70 0.82 113.55 119.60 1iay h SER 381 Ca 0.16 -0.24 0.06 0.00 -0.84 0.00 0.00 61.79 60.93 1iay h SER 381 Cb 0.05 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.34 1iay h SER 381 CO -0.03 0.78 0.55 -0.08 -1.14 0.00 0.00 176.83 176.91 1iay h GLU 382 N 0.64 0.97 -0.08 3.45 4.81 -0.89 0.22 114.58 123.69 1iay h GLU 382 Ca 0.15 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.16 1iay h GLU 382 Cb 0.35 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1iay h GLU 382 CO 0.00 0.64 -0.64 0.52 -0.73 0.00 0.00 179.01 178.81 1iay h MET 383 N 1.00 0.31 0.53 1.92 2.86 -0.42 -1.29 114.93 119.85 1iay h MET 383 Ca 0.38 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1iay h MET 383 Cb 0.17 0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.87 1iay h MET 383 CO -0.17 0.85 -0.26 1.03 1.06 0.00 0.00 176.91 179.42 1iay h SER 384 N 0.23 -0.61 -0.66 1.22 0.87 0.66 -2.30 113.55 112.96 1iay h SER 384 Ca -0.01 -0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.60 1iay h SER 384 Cb 1.17 0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 63.22 1iay h SER 384 CO 0.10 -0.32 0.31 0.25 -0.53 0.00 0.00 176.83 176.64 1iay h LEU 385 N -0.87 0.40 -1.37 2.23 5.85 -0.65 -1.28 115.31 119.62 1iay h LEU 385 Ca -0.07 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.81 1iay h LEU 385 Cb 0.61 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1iay h LEU 385 CO 0.12 0.24 0.52 -0.25 -0.34 0.00 0.00 178.44 178.72 1iay h TRP 386 N 0.55 0.75 -0.41 1.25 7.01 -1.12 -0.53 115.95 123.45 1iay h TRP 386 Ca 0.32 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.29 1iay h TRP 386 Cb 0.34 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 1iay h TRP 386 CO -0.12 0.34 0.01 0.00 -2.79 0.00 0.00 178.44 175.88 1iay h ARG 387 N 0.69 0.65 -0.48 2.65 2.47 -0.65 -0.92 114.38 118.80 1iay h ARG 387 Ca 0.37 -0.15 -0.09 0.00 -1.26 0.00 0.00 59.98 58.85 1iay h ARG 387 Cb 0.50 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 1iay h ARG 387 CO -0.14 0.66 -0.06 0.28 0.56 0.00 0.00 179.97 181.27 1iay h VAL 388 N 0.61 1.25 -0.23 2.04 2.07 -0.99 -0.58 116.25 120.43 1iay h VAL 388 Ca 0.13 -1.12 -0.14 0.00 0.82 0.00 0.00 66.70 66.39 1iay h VAL 388 Cb 0.38 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1iay h VAL 388 CO 0.01 0.39 -0.41 0.40 0.02 0.00 0.00 177.57 177.99 1iay h ILE 389 N 0.76 1.31 0.00 4.57 2.04 -0.86 0.42 117.51 125.76 1iay h ILE 389 Ca 0.14 -1.62 -0.15 0.00 1.00 0.00 0.00 64.86 64.22 1iay h ILE 389 Cb 0.55 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1iay h ILE 389 CO 0.03 0.51 -0.72 0.16 0.00 0.00 0.00 178.15 178.13 1iay h ILE 390 N 0.38 1.35 0.00 -0.67 3.07 -1.14 -0.53 117.51 119.97 1iay h ILE 390 Ca 0.01 -2.62 -0.42 0.00 1.55 0.00 0.00 64.86 63.38 1iay h ILE 390 Cb 1.01 2.48 -0.07 0.00 -0.27 0.00 0.00 36.82 39.98 1iay h ILE 390 CO 0.09 0.71 -2.43 0.59 -1.05 0.00 0.00 178.15 176.05 1iay n ASN 391 N -3.43 1.89 -0.03 2.16 3.02 -0.23 -4.10 115.26 114.53 1iay n ASN 391 Ca 0.00 0.22 -0.10 0.00 -0.03 0.00 0.00 54.58 54.67 1iay n ASN 391 Cb 0.77 -0.68 -0.14 0.00 -0.61 0.00 0.00 39.78 39.12 1iay n ASN 391 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1iay n ASP 392 N -3.95 0.87 -0.11 6.41 8.00 0.12 -4.03 116.55 123.86 1iay n ASP 392 Ca -0.49 0.34 0.11 0.00 0.71 0.00 0.00 54.79 55.46 1iay n ASP 392 Cb 0.88 0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.97 1iay n ASP 392 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1iay n VAL 393 N -3.04 0.00 -3.93 2.53 0.31 0.62 -5.00 118.33 109.82 1iay n VAL 393 Ca -0.20 -0.06 -0.30 0.00 -0.01 0.00 0.00 64.34 63.77 1iay n VAL 393 Cb 1.06 0.90 -0.01 0.00 -0.91 0.00 0.00 33.84 34.89 1iay n VAL 393 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1iay n LYS 394 N -1.17 -2.13 -4.25 5.55 5.02 -0.38 -4.93 118.16 115.86 1iay n LYS 394 Ca 0.06 0.35 -0.21 0.00 -2.02 0.00 0.00 58.31 56.49 1iay n LYS 394 Cb 0.36 -4.08 -0.16 0.00 -0.02 0.00 0.00 35.03 31.12 1iay n LYS 394 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1iay s LEU 395 N -6.93 1.41 -0.39 -0.35 1.43 -0.35 -1.67 118.68 111.83 1iay s LEU 395 Ca 0.19 -0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 52.91 1iay s LEU 395 Cb -0.08 -0.53 0.01 0.00 0.03 0.00 0.00 46.19 45.63 1iay s LEU 395 CO 0.90 -0.03 0.73 0.21 0.23 0.00 0.00 176.35 178.39 1iay s ASN 396 N 0.85 6.47 0.25 2.29 2.47 -0.56 -3.65 114.94 123.05 1iay s ASN 396 Ca -0.12 0.15 0.04 0.00 0.42 0.00 0.00 52.86 53.35 1iay s ASN 396 Cb -0.15 -2.37 -0.05 0.00 -1.45 0.00 0.00 41.25 37.23 1iay s ASN 396 CO 0.01 -0.74 -0.02 0.68 -3.72 0.00 0.00 177.10 173.31 1iay s VAL 397 N 3.02 1.20 -0.15 -5.21 -7.23 -1.26 -0.76 120.40 110.01 1iay s VAL 397 Ca 0.28 -2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 58.35 1iay s VAL 397 Cb -0.13 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1iay s VAL 397 CO 0.18 -0.31 0.03 -0.44 -0.31 0.00 0.00 175.10 174.25 1iay s SER 398 N -3.35 5.43 0.16 4.85 0.01 -1.07 -4.90 113.70 114.84 1iay s SER 398 Ca 0.29 0.08 -0.17 0.00 1.31 0.00 0.00 55.95 57.46 1iay s SER 398 Cb 0.05 -1.83 -0.07 0.00 0.21 0.00 0.00 66.02 64.38 1iay s SER 398 CO 0.10 0.24 0.62 -2.16 0.41 0.00 0.00 173.24 172.45 1iay s PRO 399 N -0.02 4.13 0.44 12.44 0.04 -1.26 -1.00 135.00 149.77 1iay s PRO 399 Ca 0.05 0.69 0.30 0.00 0.04 0.00 0.00 61.00 62.08 1iay s PRO 399 Cb -0.12 -2.97 1.44 0.00 0.04 0.00 0.00 34.50 32.88 1iay s PRO 399 CO 0.01 0.48 1.61 0.78 0.04 0.00 0.00 177.00 179.92 1iay h GLY 400 N 3.69 1.34 2.00 0.56 0.00 -0.66 0.52 103.07 110.52 1iay h GLY 400 Ca -0.48 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1iay h GLY 400 CO 0.65 -0.43 -0.14 1.48 0.00 0.00 0.00 176.54 178.10 1iay h SER 401 N 0.07 0.00 0.11 0.19 4.64 -1.84 0.11 113.55 116.83 1iay h SER 401 Ca 0.83 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 62.14 1iay h SER 401 Cb 2.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.71 1iay h SER 401 CO -0.44 0.14 -0.07 0.28 -0.87 0.00 0.00 176.83 175.88 1iay h SER 402 N 0.00 0.00 -0.57 4.97 0.02 -0.31 -0.87 113.55 116.79 1iay h SER 402 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1iay h SER 402 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1iay h SER 402 CO 0.02 0.07 0.00 0.49 -1.14 0.00 0.00 176.83 176.27 1iay n PHE 403 N -4.13 1.32 -1.61 3.45 3.01 -0.68 -4.46 117.46 114.35 1iay n PHE 403 Ca -0.03 -0.63 -0.16 0.00 1.01 0.00 0.00 57.45 57.65 1iay n PHE 403 Cb 0.15 -0.23 -0.06 0.00 -0.01 0.00 0.00 39.48 39.34 1iay n PHE 403 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1iay n GLU 404 N 0.87 -1.12 -1.73 -1.08 -0.58 -0.33 -1.41 120.64 115.26 1iay n GLU 404 Ca 0.24 1.00 -0.42 0.00 -0.42 0.00 0.00 57.16 57.55 1iay n GLU 404 Cb 0.84 -5.20 -0.02 0.00 -0.57 0.00 0.00 31.44 26.50 1iay n GLU 404 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iay n GLN 406 N 1.95 1.33 -4.41 0.00 6.02 -1.26 -4.46 117.38 116.54 1iay n GLN 406 Ca 0.09 -0.78 -0.27 0.00 -0.01 0.00 0.00 57.00 56.02 1iay n GLN 406 Cb 0.36 -1.48 -0.17 0.00 1.02 0.00 0.00 30.24 29.97 1iay n GLN 406 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1iay s GLU 407 N -2.21 1.97 0.97 -1.09 -1.05 -1.26 -5.12 118.70 110.90 1iay s GLU 407 Ca 0.32 -0.47 -0.11 0.00 -0.15 0.00 0.00 54.97 54.56 1iay s GLU 407 Cb 0.20 -1.71 0.17 0.00 -0.44 0.00 0.00 34.13 32.36 1iay s GLU 407 CO 0.41 -0.07 1.10 -2.14 0.95 0.00 0.00 175.26 175.51 1iay s PRO 408 N 1.01 0.64 0.00 -4.83 0.02 -1.26 -4.38 135.00 126.20 1iay s PRO 408 Ca -0.07 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.18 1iay s PRO 408 Cb -0.15 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1iay s PRO 408 CO -0.01 -2.78 0.00 0.41 -0.33 0.00 0.00 177.00 174.29 1iay n GLY 409 N 0.05 0.42 3.82 0.52 0.00 -1.26 -4.82 105.19 103.91 1iay n GLY 409 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1iay n GLY 409 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1iay s TRP 410 N -2.15 3.40 -0.01 1.61 0.52 -1.26 -0.52 118.94 120.52 1iay s TRP 410 Ca 0.00 0.31 0.02 0.00 0.02 0.00 0.00 56.10 56.44 1iay s TRP 410 Cb 0.00 -1.81 0.00 0.00 -1.15 0.00 0.00 33.47 30.51 1iay s TRP 410 CO 0.00 0.60 -0.06 -0.06 0.02 0.00 0.00 176.95 177.46 1iay s PHE 411 N -1.15 0.56 -0.10 -1.98 0.40 -0.37 0.15 117.98 115.48 1iay s PHE 411 Ca 0.21 -0.11 -0.18 0.00 -0.60 0.00 0.00 56.93 56.26 1iay s PHE 411 Cb -0.12 -0.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.97 1iay s PHE 411 CO 0.12 -0.04 0.46 0.50 0.70 0.00 0.00 175.22 176.96 1iay s ARG 412 N 0.05 4.28 -0.21 0.44 3.52 -0.17 -1.11 118.95 125.76 1iay s ARG 412 Ca -0.00 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 1iay s ARG 412 Cb -0.05 -3.40 0.05 0.00 -1.56 0.00 0.00 34.95 30.00 1iay s ARG 412 CO -0.00 0.25 -0.05 0.08 -0.81 0.00 0.00 175.30 174.76 1iay s VAL 413 N 0.34 1.34 -0.05 7.11 1.01 -0.78 -2.60 120.40 126.78 1iay s VAL 413 Ca 0.25 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.97 1iay s VAL 413 Cb -0.15 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1iay s VAL 413 CO 0.11 -0.02 0.93 0.00 0.00 0.00 0.00 175.10 176.12 1iay n PHE 415 N 4.22 0.00 -0.01 0.00 1.16 -0.96 -4.57 117.46 117.30 1iay n PHE 415 Ca 0.05 -0.97 0.03 0.00 -1.87 0.00 0.00 57.45 54.70 1iay n PHE 415 Cb 0.50 -0.16 0.08 0.00 -1.61 0.00 0.00 39.48 38.29 1iay n PHE 415 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1iay n ALA 416 N -1.12 2.20 0.39 1.98 0.00 -1.25 -4.62 120.51 118.09 1iay n ALA 416 Ca 0.14 -0.95 0.07 0.00 0.00 0.00 0.00 53.44 52.70 1iay n ALA 416 Cb 0.68 -0.25 0.09 0.00 0.00 0.00 0.00 19.45 19.97 1iay n ALA 416 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1iay n ASN 417 N 0.17 2.43 -4.10 0.00 6.94 -1.24 -1.53 115.26 117.92 1iay n ASN 417 Ca 0.06 -1.69 -0.18 0.00 -0.02 0.00 0.00 54.58 52.75 1iay n ASN 417 Cb 0.31 -0.07 -0.09 0.00 -2.36 0.00 0.00 39.78 37.56 1iay n ASN 417 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iay s MET 418 N -1.13 1.54 0.67 -3.83 0.23 -1.26 -4.92 119.30 110.60 1iay s MET 418 Ca 0.20 -1.86 -0.04 0.00 -1.03 0.00 0.00 55.69 52.96 1iay s MET 418 Cb 0.13 -0.16 0.07 0.00 -1.53 0.00 0.00 34.83 33.34 1iay s MET 418 CO 0.18 -0.40 0.95 0.16 -2.03 0.00 0.00 175.02 173.88 1iay s ASP 419 N -3.36 4.78 0.20 -1.18 3.84 -1.26 -4.91 116.67 114.78 1iay s ASP 419 Ca 0.36 0.15 -0.11 0.00 -0.00 0.00 0.00 52.55 52.94 1iay s ASP 419 Cb 0.06 -0.79 0.25 0.00 -1.38 0.00 0.00 42.92 41.07 1iay s ASP 419 CO 0.16 -1.57 1.69 0.44 -0.00 0.00 0.00 175.17 175.89 1iay h ASP 420 N -0.43 -0.12 -0.52 2.11 3.32 -1.99 -1.90 116.42 116.89 1iay h ASP 420 Ca -0.42 0.12 0.05 0.00 0.02 0.00 0.00 57.03 56.80 1iay h ASP 420 Cb 1.30 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.99 1iay h ASP 420 CO 0.53 -0.04 0.25 1.23 -1.72 0.00 0.00 179.24 179.49 1iay h GLY 421 N 0.18 0.72 1.03 2.75 0.00 -1.99 -1.59 103.07 104.17 1iay h GLY 421 Ca 0.29 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 1iay h GLY 421 CO -0.43 0.10 0.13 -0.84 0.00 0.00 0.00 176.54 175.50 1iay h THR 422 N 0.49 1.26 -0.29 4.70 2.02 -1.85 -1.97 112.91 117.26 1iay h THR 422 Ca 0.23 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.49 1iay h THR 422 Cb 0.16 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1iay h THR 422 CO -0.17 0.35 0.20 0.58 0.37 0.00 0.00 175.52 176.85 1iay h VAL 423 N 0.91 1.01 0.01 3.16 2.07 -0.76 -1.93 116.25 120.72 1iay h VAL 423 Ca 0.19 -0.10 -0.20 0.00 0.82 0.00 0.00 66.70 67.41 1iay h VAL 423 Cb 0.38 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1iay h VAL 423 CO 0.01 0.05 -0.92 0.44 0.02 0.00 0.00 177.57 177.17 1iay h ASP 424 N 0.29 0.15 -0.19 0.57 3.32 -0.75 -2.69 116.42 117.12 1iay h ASP 424 Ca 0.12 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1iay h ASP 424 Cb 0.13 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1iay h ASP 424 CO -0.02 0.98 -0.03 0.40 -1.72 0.00 0.00 179.24 178.84 1iay h ILE 425 N 0.05 1.28 -0.44 0.35 2.04 -0.64 -1.83 117.51 118.32 1iay h ILE 425 Ca -0.04 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 64.90 1iay h ILE 425 Cb 1.58 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 39.16 1iay h ILE 425 CO 0.13 0.30 0.15 0.00 0.00 0.00 0.00 178.15 178.72 1iay h ALA 426 N 0.74 0.52 -0.84 1.87 0.00 -1.48 0.31 119.26 120.37 1iay h ALA 426 Ca 0.05 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1iay h ALA 426 Cb 0.46 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1iay h ALA 426 CO 0.02 -0.25 0.52 -0.07 0.00 0.00 0.00 179.25 179.47 1iay h LEU 427 N 0.31 0.81 -0.44 0.00 3.38 -1.31 0.15 115.31 118.21 1iay h LEU 427 Ca 0.21 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1iay h LEU 427 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1iay h LEU 427 CO -0.22 0.51 0.09 0.00 0.09 0.00 0.00 178.44 178.92 1iay h ALA 428 N 1.41 0.58 -0.75 1.53 0.00 -0.48 0.31 119.26 121.86 1iay h ALA 428 Ca 0.37 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1iay h ALA 428 Cb 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1iay h ALA 428 CO -0.18 0.28 0.45 0.00 0.00 0.00 0.00 179.25 179.80 1iay h ARG 429 N 0.59 0.81 -0.19 0.00 3.08 -0.08 0.66 114.38 119.25 1iay h ARG 429 Ca 0.14 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.97 1iay h ARG 429 Cb 0.35 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1iay h ARG 429 CO 0.00 0.54 -0.58 0.82 -1.07 0.00 0.00 179.97 179.68 1iay h ILE 430 N 0.83 1.32 -0.33 2.04 2.04 -0.71 -1.34 117.51 121.36 1iay h ILE 430 Ca 0.32 -1.84 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 1iay h ILE 430 Cb 0.14 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1iay h ILE 430 CO -0.16 0.57 0.13 -0.09 0.00 0.00 0.00 178.15 178.60 1iay h ARG 431 N 0.46 0.50 0.40 2.37 2.43 0.67 -1.65 114.38 119.57 1iay h ARG 431 Ca 0.00 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1iay h ARG 431 Cb 1.15 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1iay h ARG 431 CO 0.11 0.51 -0.28 -0.09 -1.51 0.00 0.00 179.97 178.71 1iay h ARG 432 N 0.39 -0.62 -0.91 0.20 9.65 0.39 -1.14 114.38 122.33 1iay h ARG 432 Ca 0.11 0.04 0.24 0.00 -1.10 0.00 0.00 59.98 59.27 1iay h ARG 432 Cb 0.20 0.14 -0.13 0.00 -1.39 0.00 0.00 29.97 28.79 1iay h ARG 432 CO -0.01 -0.42 0.39 0.35 2.80 0.00 0.00 179.97 183.09 1iay h PHE 433 N -0.65 0.64 0.22 2.20 3.57 -1.25 -1.02 116.94 120.65 1iay h PHE 433 Ca -0.05 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1iay h PHE 433 Cb 0.53 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1iay h PHE 433 CO -0.06 -0.10 -0.10 0.28 -2.23 0.00 0.00 178.31 176.10 1iay h VAL 434 N 0.36 0.86 -0.11 1.41 2.07 -1.18 -3.26 116.25 116.40 1iay h VAL 434 Ca 0.59 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1iay h VAL 434 Cb 1.17 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 1iay h VAL 434 CO -0.57 0.15 -0.49 1.23 0.02 0.00 0.00 177.57 177.92 1iay h GLY 435 N -0.66 -0.92 -4.29 2.17 0.00 -0.42 -1.62 103.07 97.32 1iay h GLY 435 Ca -0.03 0.61 -0.08 0.00 0.00 0.00 0.00 47.33 47.83 1iay h GLY 435 CO 0.05 -0.22 0.04 -0.62 0.00 0.00 0.00 176.54 175.79 1iay n VAL 436 N -5.44 1.40 -2.00 4.60 0.31 -0.46 -2.51 118.33 114.23 1iay n VAL 436 Ca -0.05 -0.65 -0.01 0.00 -0.01 0.00 0.00 64.34 63.62 1iay n VAL 436 Cb 0.38 -1.65 -0.01 0.00 -0.91 0.00 0.00 33.84 31.65 1iay n VAL 436 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1iay n GLU 437 N 2.54 0.00 0.00 5.55 -0.58 -0.61 -4.93 120.64 122.61 1iay n GLU 437 Ca 0.17 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1iay n GLU 437 Cb 0.42 0.04 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 1iay n GLU 437 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82