#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ups s PHE 20 N 0.00 3.51 0.38 1.24 5.36 0.11 -4.97 117.98 123.61 1ups s PHE 20 Ca 0.00 1.43 -0.28 0.00 -0.96 0.00 0.00 56.93 57.13 1ups s PHE 20 Cb 0.00 -3.34 -0.10 0.00 -0.34 0.00 0.00 43.02 39.24 1ups s PHE 20 CO 0.00 -0.92 1.41 -1.25 -1.46 0.00 0.00 175.22 173.00 1ups s PRO 21 N 0.73 4.08 0.31 10.12 0.04 -1.26 -4.75 135.00 144.27 1ups s PRO 21 Ca 0.56 2.41 -0.29 0.00 0.04 0.00 0.00 61.00 63.71 1ups s PRO 21 Cb -0.28 -2.92 -0.12 0.00 0.04 0.00 0.00 34.50 31.22 1ups s PRO 21 CO 0.30 -0.49 1.42 0.00 0.04 0.00 0.00 177.00 178.27 1ups n ALA 22 N 0.40 1.68 -1.28 8.56 0.00 -1.26 -4.99 120.51 123.62 1ups n ALA 22 Ca 0.02 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.52 1ups n ALA 22 Cb 0.41 -2.33 0.09 0.00 0.00 0.00 0.00 19.45 17.61 1ups n ALA 22 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ups s ASN 23 N 0.06 4.54 0.68 0.00 0.01 -1.26 -5.03 114.94 113.94 1ups s ASN 23 Ca 0.60 1.87 -0.14 0.00 -0.71 0.00 0.00 52.86 54.48 1ups s ASN 23 Cb -0.56 -2.53 0.01 0.00 0.41 0.00 0.00 41.25 38.58 1ups s ASN 23 CO 0.56 -2.01 1.12 -2.16 -1.51 0.00 0.00 177.10 173.10 1ups s PRO 24 N -4.76 2.64 0.30 -0.60 0.04 -1.26 -4.96 135.00 126.40 1ups s PRO 24 Ca 0.62 1.41 0.06 0.00 0.04 0.00 0.00 61.00 63.14 1ups s PRO 24 Cb -0.18 -1.93 0.47 0.00 0.04 0.00 0.00 34.50 32.90 1ups s PRO 24 CO 0.54 -1.38 1.72 0.82 0.04 0.00 0.00 177.00 178.74 1ups h ILE 25 N -0.15 1.29 -3.37 0.56 5.03 -2.06 -3.42 117.51 115.39 1ups h ILE 25 Ca -0.46 -1.40 -0.59 0.00 -0.12 0.00 0.00 64.86 62.29 1ups h ILE 25 Cb 1.25 1.57 -0.10 0.00 -3.03 0.00 0.00 36.82 36.52 1ups h ILE 25 CO 0.53 0.42 -0.19 -1.61 -0.68 0.00 0.00 178.15 176.63 1ups s GLU 26 N -4.27 4.27 -0.20 2.37 8.01 -1.26 -4.83 118.70 122.79 1ups s GLU 26 Ca -0.05 0.30 -0.03 0.00 0.01 0.00 0.00 54.97 55.20 1ups s GLU 26 Cb 0.14 -3.47 -0.01 0.00 -4.31 0.00 0.00 34.13 26.47 1ups s GLU 26 CO 0.77 0.10 -0.05 0.21 0.01 0.00 0.00 175.26 176.30 1ups s LYS 27 N 0.86 3.42 -0.13 1.61 2.20 -1.26 -5.07 119.74 121.38 1ups s LYS 27 Ca 0.22 -0.62 -0.36 0.00 -0.36 0.00 0.00 55.97 54.85 1ups s LYS 27 Cb -0.15 -2.95 -0.13 0.00 -1.51 0.00 0.00 37.83 33.09 1ups s LYS 27 CO 0.08 -0.08 1.80 0.00 -0.36 0.00 0.00 175.35 176.79 1ups n ALA 28 N 4.46 0.48 -0.78 3.13 0.00 -1.26 -1.09 120.51 125.45 1ups n ALA 28 Ca -0.18 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1ups n ALA 28 Cb 0.51 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1ups n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ups n GLY 29 N 4.21 0.76 3.38 0.00 0.00 -1.26 -5.04 105.19 107.25 1ups n GLY 29 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 1ups n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ups s TYR 30 N -2.86 1.80 -0.06 1.61 1.51 -0.25 -1.45 117.35 117.65 1ups s TYR 30 Ca 0.00 -0.70 0.04 0.00 -1.01 0.00 0.00 57.07 55.41 1ups s TYR 30 Cb 0.00 -0.97 -0.02 0.00 -0.11 0.00 0.00 41.96 40.86 1ups s TYR 30 CO 0.00 0.25 -0.18 -1.59 -1.11 0.00 0.00 175.55 172.91 1ups s LYS 31 N -3.73 2.55 -0.06 -0.62 0.00 0.73 -4.58 119.74 114.04 1ups s LYS 31 Ca 0.27 -0.78 -0.30 0.00 0.00 0.00 0.00 55.97 55.16 1ups s LYS 31 Cb 0.03 -2.30 -0.04 0.00 0.00 0.00 0.00 37.83 35.51 1ups s LYS 31 CO 0.10 0.51 1.44 -1.17 0.00 0.00 0.00 175.35 176.23 1ups s LEU 32 N -0.46 4.28 -0.14 2.77 2.96 -1.26 -0.25 118.68 126.58 1ups s LEU 32 Ca 0.05 2.04 0.16 0.00 -0.22 0.00 0.00 54.13 56.17 1ups s LEU 32 Cb -0.12 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.80 1ups s LEU 32 CO 0.01 -0.79 0.13 -0.67 -1.32 0.00 0.00 176.35 173.72 1ups n ASP 33 N 6.18 0.73 -3.67 3.68 2.03 0.11 -4.93 116.55 120.68 1ups n ASP 33 Ca 0.14 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.31 1ups n ASP 33 Cb 0.44 1.12 -0.08 0.00 -0.72 0.00 0.00 41.12 41.88 1ups n ASP 33 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ups s PHE 34 N -2.60 -0.60 -0.05 -0.67 5.36 -0.94 -4.99 117.98 113.50 1ups s PHE 34 Ca -0.08 1.39 -0.20 0.00 -0.96 0.00 0.00 56.93 57.09 1ups s PHE 34 Cb 0.07 0.22 0.04 0.00 -0.34 0.00 0.00 43.02 43.01 1ups s PHE 34 CO 0.72 -0.34 0.44 -1.54 -1.46 0.00 0.00 175.22 173.04 1ups s SER 35 N 0.03 -0.37 -0.09 6.13 1.04 -1.26 -0.44 113.70 118.74 1ups s SER 35 Ca -0.02 0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.78 1ups s SER 35 Cb -0.04 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.60 1ups s SER 35 CO 0.02 -0.45 0.05 -0.62 0.98 0.00 0.00 173.24 173.22 1ups s ASP 36 N -1.04 1.70 0.00 7.02 -1.08 0.01 -5.00 116.67 118.27 1ups s ASP 36 Ca -0.11 -0.20 0.29 0.00 -0.52 0.00 0.00 52.55 52.01 1ups s ASP 36 Cb -0.03 -0.29 1.28 0.00 -1.46 0.00 0.00 42.92 42.42 1ups s ASP 36 CO 0.05 -0.26 1.87 -0.62 0.52 0.00 0.00 175.17 176.74 1ups n GLU 37 N 5.23 1.46 -3.82 4.34 -0.58 -1.26 -1.20 120.64 124.81 1ups n GLU 37 Ca -0.06 -0.68 -0.30 0.00 -0.42 0.00 0.00 57.16 55.71 1ups n GLU 37 Cb 0.49 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.89 1ups n GLU 37 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1ups n PHE 38 N -0.17 -2.02 0.63 -0.32 0.99 -1.26 -4.56 117.46 110.75 1ups n PHE 38 Ca 0.20 0.75 0.12 0.00 -0.00 0.00 0.00 57.45 58.53 1ups n PHE 38 Cb 0.28 -3.47 0.28 0.00 -1.00 0.00 0.00 39.48 35.56 1ups n PHE 38 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1ups n ASN 39 N -2.63 0.71 0.00 4.37 3.02 -1.26 -3.01 115.26 116.45 1ups n ASN 39 Ca 0.03 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1ups n ASN 39 Cb 0.52 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1ups n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ups n GLY 40 N 1.34 -2.00 0.05 7.41 0.00 -1.26 -4.52 105.19 106.22 1ups n GLY 40 Ca 0.04 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.58 1ups n GLY 40 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ups n PRO 41 N -0.01 0.27 -4.31 1.61 -0.04 -1.26 -5.03 135.00 126.23 1ups n PRO 41 Ca 0.00 -0.10 -0.17 0.00 -0.04 0.00 0.00 63.50 63.19 1ups n PRO 41 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 1ups n PRO 41 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ups s THR 42 N -2.80 1.50 0.20 0.52 -4.23 -1.26 -4.83 115.64 104.74 1ups s THR 42 Ca 0.18 -2.15 -0.30 0.00 -1.18 0.00 0.00 61.69 58.24 1ups s THR 42 Cb 0.19 -1.99 -0.09 0.00 1.34 0.00 0.00 72.50 71.94 1ups s THR 42 CO 0.57 -0.63 1.41 -0.22 -0.54 0.00 0.00 174.62 175.20 1ups s LEU 43 N -3.27 4.39 -0.65 4.79 2.96 -1.26 -4.95 118.68 120.69 1ups s LEU 43 Ca 0.21 2.51 -0.27 0.00 -0.22 0.00 0.00 54.13 56.36 1ups s LEU 43 Cb 0.01 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.10 1ups s LEU 43 CO 0.05 -0.66 1.45 -0.62 -1.32 0.00 0.00 176.35 175.24 1ups s ASP 44 N 0.61 5.97 0.00 3.68 -1.08 -1.26 -4.86 116.67 119.73 1ups s ASP 44 Ca 0.61 -0.02 0.26 0.00 -0.52 0.00 0.00 52.55 52.88 1ups s ASP 44 Cb -0.40 -2.55 1.53 0.00 -1.46 0.00 0.00 42.92 40.05 1ups s ASP 44 CO 0.37 -1.90 1.90 0.54 0.52 0.00 0.00 175.17 176.61 1ups n ARG 45 N 9.07 0.78 0.03 4.34 1.74 -1.26 -1.05 116.66 130.32 1ups n ARG 45 Ca 0.10 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.31 1ups n ARG 45 Cb 0.50 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 30.82 1ups n ARG 45 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ups n GLU 46 N -1.02 0.11 -0.04 5.56 -0.58 -1.26 -4.28 120.64 119.13 1ups n GLU 46 Ca 0.19 0.06 -0.05 0.00 -0.42 0.00 0.00 57.16 56.94 1ups n GLU 46 Cb 0.10 -1.60 -0.05 0.00 -0.57 0.00 0.00 31.44 29.32 1ups n GLU 46 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ups n LYS 47 N -1.77 1.71 -4.12 3.49 5.02 -0.21 -4.64 118.16 117.64 1ups n LYS 47 Ca 0.06 0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.22 1ups n LYS 47 Cb 0.38 -1.18 -0.12 0.00 -0.02 0.00 0.00 35.03 34.09 1ups n LYS 47 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1ups s TRP 48 N -2.17 0.81 0.08 2.13 0.52 -0.40 -4.27 118.94 115.64 1ups s TRP 48 Ca -0.07 -0.44 0.03 0.00 0.02 0.00 0.00 56.10 55.64 1ups s TRP 48 Cb 0.02 -0.48 -0.04 0.00 -1.15 0.00 0.00 33.47 31.82 1ups s TRP 48 CO 0.25 -0.04 0.08 -0.08 0.02 0.00 0.00 176.95 177.18 1ups s THR 49 N -1.18 4.57 -0.57 2.01 -1.32 0.11 -4.23 115.64 115.03 1ups s THR 49 Ca -0.06 -0.75 0.01 0.00 -1.21 0.00 0.00 61.69 59.68 1ups s THR 49 Cb -0.09 -3.20 0.45 0.00 -1.51 0.00 0.00 72.50 68.14 1ups s THR 49 CO 0.01 0.13 1.77 -0.90 -2.21 0.00 0.00 174.62 173.42 1ups n ASP 50 N 0.46 6.82 -4.17 8.08 5.75 -1.26 -1.16 116.55 131.06 1ups n ASP 50 Ca -0.08 -3.78 -0.26 0.00 -0.01 0.00 0.00 54.79 50.66 1ups n ASP 50 Cb 0.52 -0.79 -0.16 0.00 -1.03 0.00 0.00 41.12 39.66 1ups n ASP 50 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1ups s TYR 51 N -3.77 1.72 -0.33 2.11 1.51 -1.24 -0.92 117.35 116.43 1ups s TYR 51 Ca 0.60 -0.39 -0.23 0.00 -1.01 0.00 0.00 57.07 56.03 1ups s TYR 51 Cb 0.47 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 41.20 1ups s TYR 51 CO -0.02 -0.08 0.77 -0.47 -1.11 0.00 0.00 175.55 174.63 1ups s TYR 52 N -0.26 3.16 -0.58 2.71 5.04 -0.37 -4.50 117.35 122.54 1ups s TYR 52 Ca 0.03 0.67 -0.16 0.00 -2.44 0.00 0.00 57.07 55.16 1ups s TYR 52 Cb -0.09 -3.28 0.02 0.00 0.35 0.00 0.00 41.96 38.96 1ups s TYR 52 CO 0.00 -0.64 0.31 1.28 -1.34 0.00 0.00 175.55 175.17 1ups n LEU 53 N 6.27 -0.06 0.20 6.97 4.77 -1.26 -4.74 117.00 129.16 1ups n LEU 53 Ca 0.03 -0.62 0.14 0.00 -0.03 0.00 0.00 56.01 55.53 1ups n LEU 53 Cb 0.48 -0.75 0.70 0.00 -2.33 0.00 0.00 43.42 41.52 1ups n LEU 53 CO 0.51 0.39 0.93 1.55 -1.33 0.00 0.00 177.39 179.44 1ups h PRO 54 N 0.35 0.00 0.00 3.23 0.13 -1.92 -2.47 132.00 131.32 1ups h PRO 54 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1ups h PRO 54 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1ups h PRO 54 CO 0.25 0.00 0.00 1.12 -0.23 0.00 0.00 178.00 179.14 1ups h HIS 55 N 0.00 0.00 0.00 1.56 2.07 -1.85 -2.60 115.15 114.33 1ups h HIS 55 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ups h HIS 55 Cb 0.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.16 1ups h HIS 55 CO 0.00 0.00 -0.04 0.91 -3.07 0.00 0.00 177.93 175.73 1ups n TRP 56 N -2.86 0.14 -5.00 6.12 5.03 -0.93 -0.61 117.44 119.33 1ups n TRP 56 Ca 0.00 0.04 -0.32 0.00 3.03 0.00 0.00 57.50 60.25 1ups n TRP 56 Cb 0.24 -0.55 -0.15 0.00 -1.03 0.00 0.00 31.31 29.83 1ups n TRP 56 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1ups h LYS 58 N 6.08 0.30 -4.49 0.00 6.56 -1.89 -3.30 116.57 119.83 1ups h LYS 58 Ca -0.34 -0.02 -0.70 0.00 -1.06 0.00 0.00 60.65 58.54 1ups h LYS 58 Cb 1.18 -0.07 -0.32 0.00 -0.57 0.00 0.00 32.23 32.45 1ups h LYS 58 CO 0.51 0.20 -0.53 0.34 -2.06 0.00 0.00 179.45 177.90 1ups s ASP 59 N -5.35 5.34 0.42 0.86 2.15 -1.26 -4.97 116.67 113.87 1ups s ASP 59 Ca -0.13 -1.84 0.29 0.00 0.43 0.00 0.00 52.55 51.30 1ups s ASP 59 Cb 0.16 -1.87 1.47 0.00 -0.30 0.00 0.00 42.92 42.38 1ups s ASP 59 CO 0.73 -0.53 1.89 1.55 -0.17 0.00 0.00 175.17 178.64 1ups h PRO 60 N 8.16 0.00 0.00 4.34 0.13 -1.81 -2.49 132.00 140.33 1ups h PRO 60 Ca -0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1ups h PRO 60 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ups h PRO 60 CO 0.71 0.00 -0.08 0.93 -0.23 0.00 0.00 178.00 179.33 1ups h GLU 61 N 0.00 0.00 0.00 0.86 4.39 -1.93 -0.81 114.58 117.09 1ups h GLU 61 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1ups h GLU 61 Cb 0.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1ups h GLU 61 CO 0.00 0.08 -0.04 0.66 -1.16 0.00 0.00 179.01 178.55 1ups h SER 62 N 0.00 0.00 -0.27 1.42 4.64 -1.71 -2.81 113.55 114.82 1ups h SER 62 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ups h SER 62 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1ups h SER 62 CO 0.01 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1ups n ALA 63 N -2.24 2.48 -1.81 5.18 0.00 -0.31 -4.36 120.51 119.45 1ups n ALA 63 Ca -0.02 -0.63 -0.41 0.00 0.00 0.00 0.00 53.44 52.38 1ups n ALA 63 Cb 0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 1ups n ALA 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ups s LYS 64 N -1.65 4.55 0.43 0.00 2.47 -1.06 -1.24 119.74 123.24 1ups s LYS 64 Ca 0.31 1.91 -0.21 0.00 -1.56 0.00 0.00 55.97 56.42 1ups s LYS 64 Cb 0.17 -3.17 -0.11 0.00 -1.46 0.00 0.00 37.83 33.26 1ups s LYS 64 CO 0.24 0.07 0.95 0.00 0.16 0.00 0.00 175.35 176.77 1ups s ALA 65 N -0.98 3.04 -0.15 3.13 0.00 -0.10 -4.87 121.76 121.83 1ups s ALA 65 Ca 0.47 0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.78 1ups s ALA 65 Cb -0.34 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1ups s ALA 65 CO 0.43 0.12 0.04 -0.80 0.00 0.00 0.00 175.76 175.55 1ups s ASN 66 N -2.17 5.46 0.14 0.00 0.01 -1.26 -4.97 114.94 112.16 1ups s ASN 66 Ca 0.62 0.10 -0.25 0.00 -0.71 0.00 0.00 52.86 52.62 1ups s ASN 66 Cb -0.09 -1.82 0.06 0.00 0.41 0.00 0.00 41.25 39.81 1ups s ASN 66 CO 0.13 0.25 0.84 -0.72 -1.51 0.00 0.00 177.10 176.09 1ups s TYR 67 N -0.08 -0.26 0.28 2.20 1.13 -1.26 -1.83 117.35 117.52 1ups s TYR 67 Ca 0.05 -0.02 -0.04 0.00 -1.41 0.00 0.00 57.07 55.65 1ups s TYR 67 Cb -0.12 0.62 0.02 0.00 -1.10 0.00 0.00 41.96 41.37 1ups s TYR 67 CO 0.01 -0.85 0.44 2.89 -2.51 0.00 0.00 175.55 175.54 1ups n ARG 68 N -0.40 0.64 -4.63 -3.49 1.85 -0.50 -5.00 116.66 105.13 1ups n ARG 68 Ca -0.08 -2.03 -0.28 0.00 -1.00 0.00 0.00 57.85 54.45 1ups n ARG 68 Cb 0.61 2.10 -0.14 0.00 -1.05 0.00 0.00 32.46 33.98 1ups n ARG 68 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1ups s PHE 69 N -3.52 2.17 -0.23 2.89 0.40 -1.26 -0.30 117.98 118.13 1ups s PHE 69 Ca 0.19 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 56.05 1ups s PHE 69 Cb -0.02 -1.25 0.10 0.00 0.51 0.00 0.00 43.02 42.37 1ups s PHE 69 CO 0.14 0.20 0.50 -2.00 0.70 0.00 0.00 175.22 174.76 1ups s GLU 70 N -1.57 0.41 -1.52 0.44 2.12 -0.21 -4.94 118.70 113.42 1ups s GLU 70 Ca 0.11 1.18 -0.11 0.00 0.36 0.00 0.00 54.97 56.51 1ups s GLU 70 Cb -0.10 0.51 0.08 0.00 0.26 0.00 0.00 34.13 34.88 1ups s GLU 70 CO 0.04 -0.23 0.81 0.09 -0.54 0.00 0.00 175.26 175.43 1ups n ASN 71 N 5.40 -3.26 -0.04 -1.70 5.03 -1.26 -1.23 115.26 118.20 1ups n ASN 71 Ca -0.10 -0.87 -0.01 0.00 0.87 0.00 0.00 54.58 54.47 1ups n ASN 71 Cb 0.49 -3.52 -0.00 0.00 -1.02 0.00 0.00 39.78 35.73 1ups n ASN 71 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ups n GLY 72 N -1.65 0.46 3.25 7.41 0.00 -1.26 -5.04 105.19 108.36 1ups n GLY 72 Ca -0.05 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 1ups n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ups s SER 73 N -2.56 2.49 -0.05 1.61 0.01 -0.36 -4.26 113.70 110.58 1ups s SER 73 Ca 0.00 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.46 1ups s SER 73 Cb 0.00 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 1ups s SER 73 CO 0.00 0.17 1.06 -0.22 0.41 0.00 0.00 173.24 174.67 1ups s LEU 74 N -1.10 4.30 -0.38 2.44 2.96 -0.23 -1.05 118.68 125.63 1ups s LEU 74 Ca 0.08 1.68 -0.03 0.00 -0.22 0.00 0.00 54.13 55.63 1ups s LEU 74 Cb -0.09 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.13 1ups s LEU 74 CO 0.01 -0.43 0.15 -0.69 -1.32 0.00 0.00 176.35 174.07 1ups s VAL 75 N 1.72 3.28 0.08 1.68 1.01 0.59 -0.70 120.40 128.06 1ups s VAL 75 Ca 0.52 -1.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.47 1ups s VAL 75 Cb -0.21 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 1ups s VAL 75 CO 0.22 -0.50 0.70 -1.61 0.00 0.00 0.00 175.10 173.92 1ups s GLU 76 N 1.20 4.43 0.04 2.72 2.02 -1.07 -1.41 118.70 126.62 1ups s GLU 76 Ca 0.04 0.97 -0.04 0.00 0.02 0.00 0.00 54.97 55.96 1ups s GLU 76 Cb -0.22 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.69 1ups s GLU 76 CO -0.03 0.46 0.06 1.52 0.02 0.00 0.00 175.26 177.30 1ups s TYR 77 N -0.64 0.26 -0.15 1.61 1.13 -0.76 -2.59 117.35 116.20 1ups s TYR 77 Ca 0.34 -0.60 0.01 0.00 -1.41 0.00 0.00 57.07 55.41 1ups s TYR 77 Cb -0.21 -0.19 0.00 0.00 -1.10 0.00 0.00 41.96 40.47 1ups s TYR 77 CO 0.22 -0.35 -0.17 0.42 -2.51 0.00 0.00 175.55 173.16 1ups s ILE 78 N -2.70 2.45 0.55 -3.49 1.01 0.57 -4.26 121.20 115.32 1ups s ILE 78 Ca -0.04 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 1ups s ILE 78 Cb -0.01 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 1ups s ILE 78 CO -0.05 0.52 0.88 0.42 0.00 0.00 0.00 174.94 176.71 1ups s THR 79 N 0.87 4.34 0.41 2.92 -4.23 -1.26 -1.44 115.64 117.25 1ups s THR 79 Ca -0.05 0.24 0.10 0.00 -1.18 0.00 0.00 61.69 60.80 1ups s THR 79 Cb -0.15 -3.69 0.30 0.00 1.34 0.00 0.00 72.50 70.30 1ups s THR 79 CO -0.02 -0.74 2.00 -0.08 -0.54 0.00 0.00 174.62 175.24 1ups h GLU 80 N -0.05 0.52 -0.40 3.99 4.22 -1.97 -2.24 114.58 118.65 1ups h GLU 80 Ca -0.46 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.95 1ups h GLU 80 Cb 1.22 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1ups h GLU 80 CO 0.61 0.34 0.00 -0.40 -2.18 0.00 0.00 179.01 177.39 1ups n ASP 81 N -4.47 3.11 -4.73 1.04 5.75 -1.26 -4.94 116.55 111.05 1ups n ASP 81 Ca 0.08 -1.95 -0.42 0.00 -0.01 0.00 0.00 54.79 52.49 1ups n ASP 81 Cb 0.23 -0.26 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 1ups n ASP 81 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1ups s GLN 82 N -1.48 4.21 0.46 0.11 0.74 -0.85 -4.99 119.66 117.86 1ups s GLN 82 Ca 0.38 2.37 -0.09 0.00 0.05 0.00 0.00 55.36 58.07 1ups s GLN 82 Cb 0.22 -3.13 -0.05 0.00 1.10 0.00 0.00 33.01 31.14 1ups s GLN 82 CO 0.30 -0.58 0.81 0.15 -0.55 0.00 0.00 175.29 175.43 1ups s LYS 83 N 0.74 3.70 0.35 1.67 1.02 -1.26 -4.96 119.74 121.00 1ups s LYS 83 Ca 0.68 0.45 -0.26 0.00 0.02 0.00 0.00 55.97 56.86 1ups s LYS 83 Cb -0.44 -2.34 -0.13 0.00 -0.52 0.00 0.00 37.83 34.41 1ups s LYS 83 CO 0.35 -0.15 0.99 -2.30 -0.92 0.00 0.00 175.35 173.31 1ups n PRO 84 N -1.74 1.34 0.16 -1.68 -0.02 -1.26 -4.79 135.00 127.02 1ups n PRO 84 Ca 0.02 0.47 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 1ups n PRO 84 Cb 0.54 -1.92 0.22 0.00 -0.02 0.00 0.00 33.50 32.33 1ups n PRO 84 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1ups h TRP 85 N 1.77 0.00 -0.11 6.00 5.08 -1.62 -3.40 115.95 123.67 1ups h TRP 85 Ca -0.42 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.34 1ups h TRP 85 Cb 1.34 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 27.36 1ups h TRP 85 CO 0.45 0.47 -0.48 0.00 -1.28 0.00 0.00 178.44 177.60 1ups h PRO 87 N 4.10 0.00 0.00 0.00 0.13 -1.78 0.36 132.00 134.81 1ups h PRO 87 Ca -0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.94 1ups h PRO 87 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1ups h PRO 87 CO 0.29 0.10 -0.29 1.05 -0.23 0.00 0.00 178.00 178.92 1ups h GLU 88 N 0.00 0.00 0.00 0.86 9.09 -1.95 -3.18 114.58 119.40 1ups h GLU 88 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ups h GLU 88 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 1ups h GLU 88 CO 0.01 0.29 -0.87 0.72 0.05 0.00 0.00 179.01 179.22 1ups n HIS 89 N -3.59 0.00 -1.13 2.06 8.25 -0.76 -4.81 115.22 115.24 1ups n HIS 89 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1ups n HIS 89 Cb 0.42 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.66 1ups n HIS 89 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1ups n ASP 90 N -1.53 2.21 0.00 0.41 4.64 0.12 -4.83 116.55 117.57 1ups n ASP 90 Ca 0.00 -3.03 0.00 0.00 -1.38 0.00 0.00 54.79 50.38 1ups n ASP 90 Cb 0.20 -0.42 0.00 0.00 -1.04 0.00 0.00 41.12 39.86 1ups n ASP 90 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ups n GLY 91 N -1.35 3.12 0.00 0.27 0.00 -1.20 -2.19 105.19 103.83 1ups n GLY 91 Ca 0.15 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1ups n GLY 91 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ups n THR 92 N 0.00 0.49 -1.70 2.61 -2.24 -1.26 -4.16 114.28 108.02 1ups n THR 92 Ca 0.00 0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.47 1ups n THR 92 Cb 0.00 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.41 1ups n THR 92 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ups n VAL 93 N -1.37 0.07 -4.28 2.28 0.31 -0.93 -4.62 118.33 109.78 1ups n VAL 93 Ca 0.08 -0.01 -0.35 0.00 -0.01 0.00 0.00 64.34 64.04 1ups n VAL 93 Cb 0.19 -1.87 -0.09 0.00 -0.91 0.00 0.00 33.84 31.16 1ups n VAL 93 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1ups s ARG 94 N 1.39 3.14 -0.07 5.55 3.00 -0.72 -2.08 118.95 129.17 1ups s ARG 94 Ca 0.78 -0.37 -0.12 0.00 0.00 0.00 0.00 55.73 56.02 1ups s ARG 94 Cb -0.56 -2.88 0.02 0.00 0.00 0.00 0.00 34.95 31.54 1ups s ARG 94 CO 0.35 0.67 0.29 0.45 0.00 0.00 0.00 175.30 177.05 1ups s SER 95 N -0.77 -0.24 -0.22 0.23 0.15 -1.26 -1.96 113.70 109.64 1ups s SER 95 Ca 0.12 0.35 -0.01 0.00 0.70 0.00 0.00 55.95 57.11 1ups s SER 95 Cb -0.12 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1ups s SER 95 CO 0.02 -0.25 -0.11 -0.44 1.20 0.00 0.00 173.24 173.67 1ups s SER 96 N -0.49 3.89 0.05 5.45 0.01 -0.96 -4.79 113.70 116.85 1ups s SER 96 Ca -0.06 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 56.59 1ups s SER 96 Cb -0.04 -1.62 -0.02 0.00 0.21 0.00 0.00 66.02 64.55 1ups s SER 96 CO 0.02 -0.05 -0.11 0.00 0.41 0.00 0.00 173.24 173.51 1ups s ALA 97 N 1.36 0.92 0.11 1.44 0.00 -1.26 -2.35 121.76 121.97 1ups s ALA 97 Ca 0.04 -0.80 0.09 0.00 0.00 0.00 0.00 51.96 51.28 1ups s ALA 97 Cb -0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1ups s ALA 97 CO -0.07 0.12 -0.16 0.96 0.00 0.00 0.00 175.76 176.61 1ups s ILE 98 N -1.06 2.96 0.03 0.00 -4.36 -0.52 -3.69 121.20 114.55 1ups s ILE 98 Ca -0.03 -1.45 0.02 0.00 -0.26 0.00 0.00 60.65 58.93 1ups s ILE 98 Cb -0.09 -2.36 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 1ups s ILE 98 CO 0.01 0.10 -0.08 -0.04 0.24 0.00 0.00 174.94 175.18 1ups s MET 99 N -2.15 0.54 -0.12 0.37 -1.94 -0.31 -1.61 119.30 114.08 1ups s MET 99 Ca 0.19 -0.60 0.07 0.00 -1.71 0.00 0.00 55.69 53.64 1ups s MET 99 Cb -0.11 -0.40 0.41 0.00 2.01 0.00 0.00 34.83 36.74 1ups s MET 99 CO 0.11 0.09 1.13 -1.13 -0.01 0.00 0.00 175.02 175.21 1ups n SER 100 N 1.93 3.39 -3.81 3.03 3.41 -0.03 -0.71 113.62 120.83 1ups n SER 100 Ca -0.19 -2.47 -0.07 0.00 -0.26 0.00 0.00 58.87 55.88 1ups n SER 100 Cb 0.56 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 1ups n SER 100 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1ups s PHE 101 N -1.88 -0.20 -0.25 7.33 -0.71 -1.26 -0.33 117.98 120.68 1ups s PHE 101 Ca 0.27 -0.21 -0.03 0.00 -1.04 0.00 0.00 56.93 55.93 1ups s PHE 101 Cb 0.21 0.68 0.14 0.00 -1.21 0.00 0.00 43.02 42.85 1ups s PHE 101 CO 0.08 -1.12 0.43 0.34 -1.34 0.00 0.00 175.22 173.61 1ups s ASP 102 N -2.91 -0.16 -0.22 1.98 3.68 0.05 -4.72 116.67 114.37 1ups s ASP 102 Ca 0.11 0.44 -0.16 0.00 2.13 0.00 0.00 52.55 55.07 1ups s ASP 102 Cb -0.05 1.37 0.06 0.00 -1.45 0.00 0.00 42.92 42.86 1ups s ASP 102 CO 0.05 -0.28 0.55 -0.75 0.13 0.00 0.00 175.17 174.86 1ups s LYS 103 N 2.62 0.60 0.49 4.34 2.20 -1.26 -0.54 119.74 128.18 1ups s LYS 103 Ca 0.13 0.89 -0.22 0.00 -0.36 0.00 0.00 55.97 56.42 1ups s LYS 103 Cb -0.15 0.18 -0.09 0.00 -1.51 0.00 0.00 37.83 36.26 1ups s LYS 103 CO -0.17 -0.12 0.88 0.43 -0.36 0.00 0.00 175.35 176.01 1ups n SER 104 N 3.56 0.56 0.00 1.43 7.64 -1.26 -3.43 113.62 122.12 1ups n SER 104 Ca -0.18 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1ups n SER 104 Cb 0.57 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1ups n SER 104 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1ups n TRP 105 N -1.05 0.00 -2.16 1.43 7.02 -1.26 -4.80 117.44 116.62 1ups n TRP 105 Ca 0.11 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.17 1ups n TRP 105 Cb 0.43 -0.66 -0.03 0.00 -2.42 0.00 0.00 31.31 28.63 1ups n TRP 105 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1ups s ILE 106 N -2.42 3.15 -0.70 -0.99 -1.09 -1.22 -4.12 121.20 113.81 1ups s ILE 106 Ca 0.00 0.89 -0.03 0.00 -2.23 0.00 0.00 60.65 59.27 1ups s ILE 106 Cb 0.00 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 1ups s ILE 106 CO 0.00 0.10 0.67 1.57 -1.23 0.00 0.00 174.94 176.06 1ups n HIS 107 N 3.22 -2.94 -2.22 3.97 -0.00 -1.26 -4.88 115.22 111.10 1ups n HIS 107 Ca 0.09 1.14 -0.42 0.00 0.46 0.00 0.00 57.72 58.99 1ups n HIS 107 Cb 0.42 -3.90 0.00 0.00 -0.12 0.00 0.00 29.99 26.40 1ups n HIS 107 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1ups n ASN 108 N -1.62 5.06 0.29 0.26 2.85 -1.26 -4.78 115.26 116.06 1ups n ASN 108 Ca -0.02 -3.07 0.15 0.00 -0.11 0.00 0.00 54.58 51.53 1ups n ASN 108 Cb 0.52 -1.50 0.91 0.00 1.24 0.00 0.00 39.78 40.95 1ups n ASN 108 CO 0.00 0.00 0.00 2.19 -2.11 0.00 0.00 177.26 177.34 1ups h PHE 109 N 5.72 0.00 -0.00 1.20 -0.00 -1.96 -1.75 116.94 120.15 1ups h PHE 109 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.41 1ups h PHE 109 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.56 1ups h PHE 109 CO 1.30 0.00 -0.92 -1.13 -0.00 0.00 0.00 178.31 177.56 1ups n SER 110 N -3.83 0.99 -1.13 -0.68 3.41 -1.26 -4.98 113.62 106.14 1ups n SER 110 Ca -0.02 -0.94 -0.12 0.00 -0.26 0.00 0.00 58.87 57.52 1ups n SER 110 Cb 0.11 0.89 -0.04 0.00 -0.26 0.00 0.00 64.21 64.92 1ups n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ups n GLY 111 N 1.50 0.77 3.79 5.00 0.00 -0.66 -5.00 105.19 110.59 1ups n GLY 111 Ca 0.04 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1ups n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ups s THR 112 N -2.52 3.67 -2.05 2.61 -1.32 -1.26 -4.96 115.64 109.81 1ups s THR 112 Ca 0.00 0.88 0.27 0.00 -1.21 0.00 0.00 61.69 61.62 1ups s THR 112 Cb 0.00 -3.36 0.35 0.00 -1.51 0.00 0.00 72.50 67.98 1ups s THR 112 CO 0.00 -0.38 1.60 0.35 -2.21 0.00 0.00 174.62 173.98 1ups n THR 113 N -1.72 0.00 -1.83 5.08 -2.24 -1.26 -4.76 114.28 107.55 1ups n THR 113 Ca 0.09 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 1ups n THR 113 Cb 0.52 0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 69.24 1ups n THR 113 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ups n ASP 114 N -0.30 6.36 -4.80 3.42 8.00 -1.26 -4.96 116.55 123.01 1ups n ASP 114 Ca 0.14 -2.91 -0.39 0.00 0.71 0.00 0.00 54.79 52.35 1ups n ASP 114 Cb 0.36 -1.52 -0.06 0.00 -0.02 0.00 0.00 41.12 39.88 1ups n ASP 114 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ups s ASN 115 N 1.71 7.14 -0.22 -2.24 2.47 -1.26 -4.66 114.94 117.87 1ups s ASN 115 Ca 0.53 1.35 -0.05 0.00 0.42 0.00 0.00 52.86 55.11 1ups s ASN 115 Cb 0.15 -2.39 -0.02 0.00 -1.45 0.00 0.00 41.25 37.54 1ups s ASN 115 CO -0.06 0.25 -0.01 -1.00 -3.72 0.00 0.00 177.10 172.56 1ups s HIS 116 N -1.14 3.00 0.25 0.43 3.76 0.21 -5.04 115.29 116.76 1ups s HIS 116 Ca 0.31 -0.71 -0.31 0.00 -0.15 0.00 0.00 55.06 54.20 1ups s HIS 116 Cb -0.20 -2.13 -0.13 0.00 1.11 0.00 0.00 32.58 31.23 1ups s HIS 116 CO 0.21 -0.43 1.44 -0.85 -0.85 0.00 0.00 174.74 174.26 1ups n GLU 117 N 4.68 2.15 -4.44 1.40 0.00 -1.26 -4.60 120.64 118.57 1ups n GLU 117 Ca -0.17 0.76 -0.27 0.00 0.00 0.00 0.00 57.16 57.48 1ups n GLU 117 Cb 0.51 -2.44 -0.13 0.00 0.00 0.00 0.00 31.44 29.38 1ups n GLU 117 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1ups s ARG 118 N -0.40 1.35 -0.34 3.44 1.81 -1.26 -5.01 118.95 118.53 1ups s ARG 118 Ca 0.68 -1.20 -0.29 0.00 -1.72 0.00 0.00 55.73 53.19 1ups s ARG 118 Cb -0.62 -1.68 0.01 0.00 -0.45 0.00 0.00 34.95 32.21 1ups s ARG 118 CO 0.49 0.40 1.16 -0.80 -0.68 0.00 0.00 175.30 175.88 1ups s ASN 119 N -1.80 6.80 0.08 0.23 0.01 -1.26 -4.54 114.94 114.46 1ups s ASN 119 Ca 0.10 1.02 -0.34 0.00 -0.71 0.00 0.00 52.86 52.93 1ups s ASN 119 Cb -0.10 -2.54 -0.13 0.00 0.41 0.00 0.00 41.25 38.89 1ups s ASN 119 CO 0.04 -1.00 1.67 1.21 -1.51 0.00 0.00 177.10 177.51 1ups n GLU 120 N 7.16 2.14 -4.08 -0.60 2.13 -1.26 -4.78 120.64 121.35 1ups n GLU 120 Ca 0.13 0.78 -0.17 0.00 0.66 0.00 0.00 57.16 58.55 1ups n GLU 120 Cb 0.47 -2.57 -0.15 0.00 0.27 0.00 0.00 31.44 29.46 1ups n GLU 120 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 1ups s TRP 121 N 1.87 0.47 -0.31 4.31 -0.00 0.29 -5.01 118.94 120.57 1ups s TRP 121 Ca 0.83 -0.09 0.02 0.00 -0.00 0.00 0.00 56.10 56.86 1ups s TRP 121 Cb -0.69 -0.42 0.09 0.00 -0.00 0.00 0.00 33.47 32.46 1ups s TRP 121 CO 0.42 -0.09 0.05 1.03 -0.00 0.00 0.00 176.95 178.36 1ups s ARG 122 N 0.50 1.23 -0.03 5.86 0.52 -1.26 -0.77 118.95 125.00 1ups s ARG 122 Ca -0.06 -1.43 -0.25 0.00 -0.52 0.00 0.00 55.73 53.48 1ups s ARG 122 Cb -0.09 -2.66 -0.19 0.00 0.52 0.00 0.00 34.95 32.54 1ups s ARG 122 CO -0.01 -0.90 1.15 0.78 0.02 0.00 0.00 175.30 176.34 1ups h GLY 123 N 7.84 -0.13 -6.10 -3.53 0.00 -0.90 -3.45 103.07 96.81 1ups h GLY 123 Ca -0.10 0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1ups h GLY 123 CO 0.48 -0.05 -0.39 -0.47 0.00 0.00 0.00 176.54 176.12 1ups s TYR 124 N -4.05 -0.98 -0.02 5.60 6.14 -0.23 -4.78 117.35 119.03 1ups s TYR 124 Ca -0.15 1.31 0.03 0.00 0.64 0.00 0.00 57.07 58.90 1ups s TYR 124 Cb 0.01 0.26 -0.00 0.00 0.42 0.00 0.00 41.96 42.65 1ups s TYR 124 CO 0.60 -0.66 -0.11 0.95 0.64 0.00 0.00 175.55 176.97 1ups s THR 125 N 2.64 0.90 0.18 4.34 -4.23 -1.26 -4.38 115.64 113.83 1ups s THR 125 Ca 0.08 -0.45 -0.18 0.00 -1.18 0.00 0.00 61.69 59.96 1ups s THR 125 Cb -0.14 -0.78 0.04 0.00 1.34 0.00 0.00 72.50 72.96 1ups s THR 125 CO -0.16 0.27 0.53 0.28 -0.54 0.00 0.00 174.62 175.00 1ups s THR 126 N 0.01 0.03 -0.15 3.99 -1.32 -1.03 -4.87 115.64 112.30 1ups s THR 126 Ca -0.00 -0.62 0.02 0.00 -1.21 0.00 0.00 61.69 59.87 1ups s THR 126 Cb -0.07 -1.44 0.01 0.00 -1.51 0.00 0.00 72.50 69.49 1ups s THR 126 CO 0.00 -0.12 -0.21 -0.75 -2.21 0.00 0.00 174.62 171.33 1ups s LYS 127 N -3.84 2.99 0.14 7.08 2.20 -1.26 -1.29 119.74 125.76 1ups s LYS 127 Ca 0.07 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 1ups s LYS 127 Cb -0.01 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 1ups s LYS 127 CO -0.05 -0.08 0.00 0.66 -0.36 0.00 0.00 175.35 175.52 1ups n TYR 128 N 4.24 -0.93 0.00 4.03 0.53 -1.26 -5.04 117.16 118.73 1ups n TYR 128 Ca -0.20 0.51 0.00 0.00 -1.02 0.00 0.00 57.90 57.19 1ups n TYR 128 Cb 0.51 -0.93 0.00 0.00 -1.03 0.00 0.00 39.34 37.89 1ups n TYR 128 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ups n GLY 129 N -2.35 1.75 3.43 2.72 0.00 -0.55 -4.96 105.19 105.23 1ups n GLY 129 Ca -0.02 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 1ups n GLY 129 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ups s TYR 130 N -1.39 3.21 -0.11 1.61 5.04 -0.09 -0.96 117.35 124.66 1ups s TYR 130 Ca 0.00 -0.66 -0.02 0.00 -2.44 0.00 0.00 57.07 53.95 1ups s TYR 130 Cb 0.00 -2.43 -0.03 0.00 0.35 0.00 0.00 41.96 39.86 1ups s TYR 130 CO 0.00 -0.52 -0.04 -0.06 -1.34 0.00 0.00 175.55 173.59 1ups s PHE 131 N 1.61 3.03 -0.08 4.97 0.40 0.42 -0.80 117.98 127.53 1ups s PHE 131 Ca 0.04 -0.09 -0.07 0.00 -0.60 0.00 0.00 56.93 56.22 1ups s PHE 131 Cb -0.18 -1.85 0.03 0.00 0.51 0.00 0.00 43.02 41.53 1ups s PHE 131 CO 0.07 0.19 0.21 -2.00 0.70 0.00 0.00 175.22 174.40 1ups s GLU 132 N -0.27 0.23 0.19 0.44 2.12 -0.15 -0.47 118.70 120.78 1ups s GLU 132 Ca 0.05 0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.80 1ups s GLU 132 Cb -0.13 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 1ups s GLU 132 CO 0.02 -0.07 -0.14 0.96 -0.54 0.00 0.00 175.26 175.49 1ups s ILE 133 N 0.43 1.65 -0.14 -3.70 -4.36 -0.23 -0.89 121.20 113.97 1ups s ILE 133 Ca -0.03 -2.12 0.02 0.00 -0.26 0.00 0.00 60.65 58.27 1ups s ILE 133 Cb -0.04 -1.95 0.00 0.00 1.25 0.00 0.00 42.46 41.72 1ups s ILE 133 CO -0.02 -0.56 -0.21 -0.60 0.24 0.00 0.00 174.94 173.79 1ups s ARG 134 N -3.46 3.08 0.04 0.37 3.52 -1.08 -0.86 118.95 120.56 1ups s ARG 134 Ca 0.20 -0.83 -0.18 0.00 -0.13 0.00 0.00 55.73 54.79 1ups s ARG 134 Cb -0.01 -2.46 0.03 0.00 -1.56 0.00 0.00 34.95 30.95 1ups s ARG 134 CO 0.06 0.03 0.40 0.00 -0.81 0.00 0.00 175.30 174.98 1ups s ALA 135 N 0.72 -0.98 -0.14 6.12 0.00 -0.45 0.10 121.76 127.13 1ups s ALA 135 Ca -0.09 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1ups s ALA 135 Cb -0.16 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1ups s ALA 135 CO 0.01 -0.43 -0.19 0.21 0.00 0.00 0.00 175.76 175.35 1ups s LYS 136 N -2.34 3.11 0.59 0.00 2.20 -0.11 -1.67 119.74 121.51 1ups s LYS 136 Ca -0.06 -0.81 -0.08 0.00 -0.36 0.00 0.00 55.97 54.66 1ups s LYS 136 Cb -0.01 -2.51 -0.02 0.00 -1.51 0.00 0.00 37.83 33.78 1ups s LYS 136 CO -0.01 0.01 0.94 -0.51 -0.36 0.00 0.00 175.35 175.41 1ups s LEU 137 N 0.78 3.30 0.24 5.43 1.43 -0.58 -1.64 118.68 127.64 1ups s LEU 137 Ca -0.07 1.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.76 1ups s LEU 137 Cb -0.16 -3.97 -0.14 0.00 0.03 0.00 0.00 46.19 41.96 1ups s LEU 137 CO -0.00 -0.91 1.34 -0.24 0.23 0.00 0.00 176.35 176.76 1ups n SER 138 N -2.60 2.43 -1.37 2.29 2.88 -1.23 -4.49 113.62 111.52 1ups n SER 138 Ca 0.04 1.15 0.10 0.00 -1.33 0.00 0.00 58.87 58.83 1ups n SER 138 Cb 0.56 -1.39 0.32 0.00 -0.75 0.00 0.00 64.21 62.95 1ups n SER 138 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ups n ASN 139 N 2.00 4.18 0.20 -3.46 0.23 -1.26 -4.61 115.26 112.54 1ups n ASN 139 Ca 0.12 -2.20 0.07 0.00 -0.53 0.00 0.00 54.58 52.03 1ups n ASN 139 Cb 0.30 -0.50 0.36 0.00 -2.08 0.00 0.00 39.78 37.86 1ups n ASN 139 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1ups h THR 140 N 3.94 0.79 -1.69 5.53 1.35 -1.90 -3.50 112.91 117.43 1ups h THR 140 Ca 0.00 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1ups h THR 140 Cb 1.16 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1ups h THR 140 CO 0.10 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 1ups n GLY 141 N 0.25 -0.84 4.68 5.82 0.00 -1.26 -4.76 105.19 109.08 1ups n GLY 141 Ca -0.00 -1.02 0.01 0.00 0.00 0.00 0.00 46.02 45.01 1ups n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ups n GLY 142 N 0.00 -2.02 3.77 -0.02 0.00 -1.26 -4.68 105.19 100.97 1ups n GLY 142 Ca 0.00 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 1ups n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ups s GLY 143 N -2.15 2.96 0.00 -0.02 0.00 -0.93 -3.42 107.32 103.76 1ups s GLY 143 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.83 1ups s GLY 143 CO 0.00 1.70 0.00 0.61 0.00 0.00 0.00 173.10 175.41 1ups n GLY 144 N 0.78 2.18 3.58 0.20 0.00 -0.65 -4.25 105.19 107.04 1ups n GLY 144 Ca 0.02 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 1ups n GLY 144 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ups s HIS 145 N -1.63 -0.39 0.30 1.61 0.00 -0.94 -1.51 115.29 112.74 1ups s HIS 145 Ca 0.00 0.10 0.09 0.00 -3.00 0.00 0.00 55.06 52.26 1ups s HIS 145 Cb 0.00 0.61 -0.05 0.00 -4.00 0.00 0.00 32.58 29.14 1ups s HIS 145 CO 0.00 -0.93 0.02 1.14 -1.00 0.00 0.00 174.74 173.98 1ups s GLN 146 N -3.70 2.22 -0.13 -0.38 0.00 -1.08 -0.31 119.66 116.29 1ups s GLN 146 Ca 0.05 -1.55 -0.11 0.00 -0.00 0.00 0.00 55.36 53.75 1ups s GLN 146 Cb -0.02 -2.08 0.04 0.00 0.00 0.00 0.00 33.01 30.94 1ups s GLN 146 CO -0.06 0.25 0.35 0.00 0.00 0.00 0.00 175.29 175.83 1ups s ALA 147 N -2.41 -0.86 -0.21 2.60 0.00 0.25 -3.27 121.76 117.86 1ups s ALA 147 Ca 0.34 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.34 1ups s ALA 147 Cb -0.04 -0.61 0.05 0.00 0.00 0.00 0.00 23.12 22.52 1ups s ALA 147 CO 0.20 -0.18 -0.08 -0.46 0.00 0.00 0.00 175.76 175.25 1ups s TRP 148 N 0.37 2.31 0.10 0.00 -0.00 0.28 -1.26 118.94 120.73 1ups s TRP 148 Ca -0.01 -1.59 -0.08 0.00 -0.00 0.00 0.00 56.10 54.42 1ups s TRP 148 Cb -0.03 -1.57 -0.01 0.00 -0.00 0.00 0.00 33.47 31.86 1ups s TRP 148 CO -0.01 -0.74 0.18 1.67 -0.00 0.00 0.00 176.95 178.05 1ups s TRP 149 N 1.43 0.25 0.06 5.86 1.48 -0.48 -0.80 118.94 126.74 1ups s TRP 149 Ca -0.03 -0.68 0.06 0.00 -1.06 0.00 0.00 56.10 54.39 1ups s TRP 149 Cb -0.17 -0.11 -0.03 0.00 -1.16 0.00 0.00 33.47 32.01 1ups s TRP 149 CO -0.07 -0.56 -0.16 -1.64 -4.06 0.00 0.00 176.95 170.46 1ups s MET 150 N -3.89 1.01 0.05 3.25 -1.94 0.20 -0.69 119.30 117.29 1ups s MET 150 Ca 0.08 -0.90 0.04 0.00 -1.71 0.00 0.00 55.69 53.20 1ups s MET 150 Cb 0.05 -1.08 -0.02 0.00 2.01 0.00 0.00 34.83 35.78 1ups s MET 150 CO -0.09 0.26 -0.12 0.14 -0.01 0.00 0.00 175.02 175.20 1ups s VAL 151 N -0.99 0.94 0.56 -6.03 -7.23 -0.59 -1.20 120.40 105.84 1ups s VAL 151 Ca 0.02 -1.10 -0.21 0.00 -1.81 0.00 0.00 61.98 58.89 1ups s VAL 151 Cb -0.09 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 1ups s VAL 151 CO 0.02 -0.17 1.32 -0.83 -0.31 0.00 0.00 175.10 175.13 1ups s GLY 152 N -1.43 2.87 0.00 2.32 0.00 0.01 -1.03 107.32 110.06 1ups s GLY 152 Ca -0.03 1.26 0.21 0.00 0.00 0.00 0.00 44.72 46.17 1ups s GLY 152 CO 0.01 1.75 1.62 1.03 0.00 0.00 0.00 173.10 177.52 1ups n MET 153 N -1.16 1.53 -3.78 2.90 0.00 -0.87 -4.72 117.12 111.01 1ups n MET 153 Ca 0.11 -0.79 -0.27 0.00 0.00 0.00 0.00 57.70 56.75 1ups n MET 153 Cb 0.46 -1.38 0.04 0.00 0.00 0.00 0.00 33.22 32.34 1ups n MET 153 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1ups n GLN 154 N 0.01 -6.05 0.15 0.03 6.02 -0.90 -4.87 117.38 111.78 1ups n GLN 154 Ca 0.16 0.67 0.13 0.00 -0.01 0.00 0.00 57.00 57.95 1ups n GLN 154 Cb 0.26 -5.55 0.41 0.00 1.02 0.00 0.00 30.24 26.38 1ups n GLN 154 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1ups h ASP 155 N -2.19 0.00 -0.40 1.08 3.32 -1.92 -0.47 116.42 115.85 1ups h ASP 155 Ca -0.58 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.45 1ups h ASP 155 Cb 1.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.90 1ups h ASP 155 CO 0.62 0.00 0.17 -2.24 -1.72 0.00 0.00 179.24 176.07 1ups h ASP 156 N 0.00 0.54 0.00 6.45 -0.00 -1.95 -3.39 116.42 118.08 1ups h ASP 156 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 57.03 56.88 1ups h ASP 156 Cb 0.68 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.87 1ups h ASP 156 CO 0.00 0.54 -0.17 0.35 -0.00 0.00 0.00 179.24 179.96 1ups n THR 157 N -4.66 0.00 -2.59 1.15 -2.24 -1.22 -5.01 114.28 99.70 1ups n THR 157 Ca -0.00 -0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.32 1ups n THR 157 Cb 0.13 0.86 -0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1ups n THR 157 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ups n ASN 158 N -0.85 -4.37 -2.08 3.42 3.02 -0.19 -4.96 115.26 109.25 1ups n ASN 158 Ca 0.00 0.05 -0.09 0.00 -0.03 0.00 0.00 54.58 54.51 1ups n ASN 158 Cb 0.00 -3.67 -0.04 0.00 -0.61 0.00 0.00 39.78 35.47 1ups n ASN 158 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1ups n ASP 159 N -1.95 -0.37 -0.09 6.41 3.85 -1.26 -4.86 116.55 118.27 1ups n ASP 159 Ca -0.14 -2.06 -0.11 0.00 -0.71 0.00 0.00 54.79 51.76 1ups n ASP 159 Cb 0.62 0.86 -0.04 0.00 -1.35 0.00 0.00 41.12 41.20 1ups n ASP 159 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.20 178.06 1ups n TRP 160 N -0.31 0.40 0.17 2.11 -0.00 -1.26 -4.20 117.44 114.34 1ups n TRP 160 Ca 0.04 0.17 0.04 0.00 -0.00 0.00 0.00 57.50 57.74 1ups n TRP 160 Cb 0.30 -0.70 0.44 0.00 -0.00 0.00 0.00 31.31 31.34 1ups n TRP 160 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 1ups h PHE 161 N -1.00 0.12 -0.00 5.87 0.04 -1.97 -1.52 116.94 118.48 1ups h PHE 161 Ca -0.11 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1ups h PHE 161 Cb 0.93 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.05 1ups h PHE 161 CO -0.28 0.28 -0.49 0.09 -0.60 0.00 0.00 178.31 177.32 1ups n ASN 162 N -4.29 0.65 -4.76 2.17 3.02 -1.26 -4.94 115.26 105.86 1ups n ASN 162 Ca -0.02 -0.44 -0.39 0.00 -0.03 0.00 0.00 54.58 53.70 1ups n ASN 162 Cb 0.26 0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.65 1ups n ASN 162 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ups s SER 163 N -2.90 7.58 -0.03 6.41 0.15 -0.57 -4.85 113.70 119.49 1ups s SER 163 Ca 0.13 1.93 0.13 0.00 0.70 0.00 0.00 55.95 58.85 1ups s SER 163 Cb 0.18 -2.60 0.40 0.00 -1.71 0.00 0.00 66.02 62.28 1ups s SER 163 CO 0.67 0.11 1.33 0.29 1.20 0.00 0.00 173.24 176.85 1ups n LYS 164 N 1.31 2.92 -2.84 5.44 4.76 -1.26 -4.73 118.16 123.76 1ups n LYS 164 Ca -0.01 -2.27 -0.32 0.00 -2.87 0.00 0.00 58.31 52.84 1ups n LYS 164 Cb 0.48 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.24 1ups n LYS 164 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1ups n GLN 165 N 0.56 4.07 -0.09 1.97 6.02 -1.26 -3.88 117.38 124.77 1ups n GLN 165 Ca 0.15 -4.79 0.05 0.00 -0.01 0.00 0.00 57.00 52.40 1ups n GLN 165 Cb 0.53 -2.33 0.06 0.00 1.02 0.00 0.00 30.24 29.53 1ups n GLN 165 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ups n THR 166 N -0.14 1.21 -1.74 5.09 -2.24 -1.26 -2.11 114.28 113.10 1ups n THR 166 Ca 0.37 -1.38 -0.37 0.00 -2.27 0.00 0.00 64.05 60.39 1ups n THR 166 Cb 0.34 0.21 0.06 0.00 -2.10 0.00 0.00 70.33 68.84 1ups n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ups n GLY 167 N -0.83 0.64 3.10 3.38 0.00 -1.21 -4.43 105.19 105.83 1ups n GLY 167 Ca 0.07 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1ups n GLY 167 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ups s GLU 168 N -3.24 2.30 -0.20 1.61 2.12 0.41 -0.81 118.70 120.90 1ups s GLU 168 Ca 0.80 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.52 1ups s GLU 168 Cb -0.39 -1.86 0.02 0.00 0.26 0.00 0.00 34.13 32.17 1ups s GLU 168 CO 0.43 0.04 -0.15 0.42 -0.54 0.00 0.00 175.26 175.45 1ups s ILE 169 N 0.69 2.32 -0.77 -3.70 1.01 -0.34 -1.56 121.20 118.85 1ups s ILE 169 Ca -0.13 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.34 1ups s ILE 169 Cb -0.16 -2.07 0.13 0.00 0.01 0.00 0.00 42.46 40.38 1ups s ILE 169 CO 0.03 0.41 0.90 -1.81 0.00 0.00 0.00 174.94 174.46 1ups s ASP 170 N 1.29 6.47 0.24 3.58 1.01 0.62 -0.63 116.67 129.24 1ups s ASP 170 Ca 0.03 -1.88 -0.04 0.00 0.71 0.00 0.00 52.55 51.37 1ups s ASP 170 Cb -0.15 -2.33 0.26 0.00 1.01 0.00 0.00 42.92 41.71 1ups s ASP 170 CO -0.10 -1.01 1.71 0.40 0.21 0.00 0.00 175.17 176.38 1ups h ILE 171 N 5.66 1.25 -3.48 0.77 2.04 -1.21 -2.00 117.51 120.54 1ups h ILE 171 Ca -0.04 -1.10 -0.28 0.00 1.00 0.00 0.00 64.86 64.43 1ups h ILE 171 Cb 1.05 0.93 -0.33 0.00 -0.74 0.00 0.00 36.82 37.74 1ups h ILE 171 CO 1.04 0.38 -0.70 -0.22 0.00 0.00 0.00 178.15 178.65 1ups s LEU 172 N -9.13 1.09 -0.01 1.44 0.20 -0.72 -4.61 118.68 106.93 1ups s LEU 172 Ca -0.10 0.09 0.08 0.00 0.69 0.00 0.00 54.13 54.90 1ups s LEU 172 Cb 0.14 0.03 0.14 0.00 -0.43 0.00 0.00 46.19 46.07 1ups s LEU 172 CO 0.82 -0.12 1.06 1.21 -0.29 0.00 0.00 176.35 179.03 1ups n GLU 173 N 4.08 0.06 -1.69 1.98 2.13 -0.02 -0.55 120.64 126.63 1ups n GLU 173 Ca -0.26 -1.37 -0.44 0.00 0.66 0.00 0.00 57.16 55.75 1ups n GLU 173 Cb 0.51 -0.40 -0.04 0.00 0.27 0.00 0.00 31.44 31.78 1ups n GLU 173 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1ups n THR 174 N 0.08 0.15 -2.64 6.31 -1.04 -1.20 -4.59 114.28 111.35 1ups n THR 174 Ca 0.02 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 61.61 1ups n THR 174 Cb 0.83 -1.70 -0.05 0.00 -1.82 0.00 0.00 70.33 67.59 1ups n THR 174 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1ups s PHE 175 N 0.84 3.63 0.47 -1.42 0.40 -1.26 -2.64 117.98 118.00 1ups s PHE 175 Ca 0.76 1.76 0.18 0.00 -0.60 0.00 0.00 56.93 59.02 1ups s PHE 175 Cb -0.61 -3.07 1.16 0.00 0.51 0.00 0.00 43.02 41.01 1ups s PHE 175 CO 0.38 -0.11 1.99 0.74 0.70 0.00 0.00 175.22 178.92 1ups h PHE 176 N 3.39 0.27 -0.00 0.36 0.05 -1.48 -2.56 116.94 116.98 1ups h PHE 176 Ca -0.47 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.33 1ups h PHE 176 Cb 1.20 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 39.07 1ups h PHE 176 CO 0.60 0.13 -0.05 -1.13 -0.18 0.00 0.00 178.31 177.68 1ups n SER 177 N -4.45 0.32 -3.42 2.17 3.41 -1.22 -4.10 113.62 106.32 1ups n SER 177 Ca 0.09 -0.65 -0.26 0.00 -0.26 0.00 0.00 58.87 57.78 1ups n SER 177 Cb 0.43 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.20 1ups n SER 177 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ups n LYS 178 N -0.96 1.89 0.13 4.33 5.02 -0.97 -4.96 118.16 122.65 1ups n LYS 178 Ca 0.17 -4.23 0.12 0.00 -2.02 0.00 0.00 58.31 52.35 1ups n LYS 178 Cb 0.23 -1.98 0.49 0.00 -0.02 0.00 0.00 35.03 33.75 1ups n LYS 178 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ups n LYS 179 N 1.22 0.19 -0.40 1.97 2.85 -1.26 -2.17 118.16 120.56 1ups n LYS 179 Ca 0.27 0.41 0.10 0.00 -1.05 0.00 0.00 58.31 58.03 1ups n LYS 179 Cb 0.43 -1.86 0.29 0.00 -0.65 0.00 0.00 35.03 33.24 1ups n LYS 179 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1ups n ASP 180 N -2.23 3.96 -4.84 -5.58 5.75 -1.26 -4.27 116.55 108.08 1ups n ASP 180 Ca 0.02 -2.18 -0.21 0.00 -0.01 0.00 0.00 54.79 52.41 1ups n ASP 180 Cb 0.24 -0.46 -0.04 0.00 -1.03 0.00 0.00 41.12 39.83 1ups n ASP 180 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ups s THR 181 N -1.34 3.33 -0.18 2.12 -4.23 -0.92 -0.92 115.64 113.50 1ups s THR 181 Ca 0.43 -1.40 -0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1ups s THR 181 Cb 0.25 -3.13 0.05 0.00 1.34 0.00 0.00 72.50 71.00 1ups s THR 181 CO 0.26 -0.14 -0.05 0.86 -0.54 0.00 0.00 174.62 175.00 1ups s TRP 182 N -2.35 1.85 -0.13 3.99 -0.00 -0.61 -4.77 118.94 116.93 1ups s TRP 182 Ca 0.42 -1.23 -0.20 0.00 -0.00 0.00 0.00 56.10 55.09 1ups s TRP 182 Cb -0.05 -1.38 -0.04 0.00 -0.00 0.00 0.00 33.47 32.01 1ups s TRP 182 CO 0.26 -0.66 0.55 0.50 -0.00 0.00 0.00 176.95 177.60 1ups s ARG 183 N 1.58 4.32 -0.02 5.86 3.52 -1.26 -3.60 118.95 129.36 1ups s ARG 183 Ca -0.01 0.55 0.03 0.00 -0.13 0.00 0.00 55.73 56.18 1ups s ARG 183 Cb -0.16 -3.47 -0.00 0.00 -1.56 0.00 0.00 34.95 29.76 1ups s ARG 183 CO -0.08 0.05 -0.10 0.42 -0.81 0.00 0.00 175.30 174.78 1ups s ILE 184 N 0.95 0.87 0.12 4.11 1.01 -0.65 -0.84 121.20 126.78 1ups s ILE 184 Ca 0.28 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.37 1ups s ILE 184 Cb -0.16 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.58 1ups s ILE 184 CO 0.12 0.26 0.35 0.00 0.00 0.00 0.00 174.94 175.67 1ups s ALA 185 N 0.07 -0.70 0.04 9.38 0.00 -0.75 -1.41 121.76 128.39 1ups s ALA 185 Ca -0.01 -0.26 -0.28 0.00 0.00 0.00 0.00 51.96 51.41 1ups s ALA 185 Cb -0.08 0.67 0.07 0.00 0.00 0.00 0.00 23.12 23.78 1ups s ALA 185 CO 0.00 -0.62 0.66 0.00 0.00 0.00 0.00 175.76 175.80 1ups s ALA 186 N -3.83 -1.70 -0.28 0.00 0.00 -0.67 -0.28 121.76 115.00 1ups s ALA 186 Ca 0.05 0.97 -0.25 0.00 0.00 0.00 0.00 51.96 52.73 1ups s ALA 186 Cb 0.02 0.37 0.11 0.00 0.00 0.00 0.00 23.12 23.62 1ups s ALA 186 CO -0.10 -0.55 0.95 -0.47 0.00 0.00 0.00 175.76 175.60 1ups s TYR 187 N -2.32 -0.55 -0.43 0.00 5.04 -0.60 -1.65 117.35 116.85 1ups s TYR 187 Ca -0.05 1.34 0.26 0.00 -2.44 0.00 0.00 57.07 56.18 1ups s TYR 187 Cb -0.00 0.34 0.75 0.00 0.35 0.00 0.00 41.96 43.40 1ups s TYR 187 CO -0.00 -0.27 1.74 0.78 -1.34 0.00 0.00 175.55 176.46 1ups h GLY 188 N 4.37 0.00 0.00 8.97 0.00 -0.45 0.12 103.07 116.07 1ups h GLY 188 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ups h GLY 188 CO 0.10 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.43 1ups n TRP 189 N -2.75 0.00 0.89 5.60 7.02 -1.26 -1.35 117.44 125.60 1ups n TRP 189 Ca 0.04 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.65 1ups n TRP 189 Cb 0.42 0.00 0.56 0.00 -2.42 0.00 0.00 31.31 29.87 1ups n TRP 189 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1ups n ASN 190 N 9.31 0.12 -4.62 -0.99 3.02 -1.26 -4.83 115.26 116.01 1ups n ASN 190 Ca 0.00 0.51 -0.43 0.00 -0.03 0.00 0.00 54.58 54.63 1ups n ASN 190 Cb 0.00 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.60 1ups n ASN 190 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ups s ASP 191 N -3.22 6.54 0.00 6.41 3.68 -0.46 -4.71 116.67 124.91 1ups s ASP 191 Ca 0.13 1.17 0.26 0.00 2.13 0.00 0.00 52.55 56.24 1ups s ASP 191 Cb 0.17 -2.54 1.17 0.00 -1.45 0.00 0.00 42.92 40.27 1ups s ASP 191 CO 0.51 -1.20 1.85 -0.81 0.13 0.00 0.00 175.17 175.65 1ups n PRO 192 N 7.56 0.11 0.00 4.34 -0.04 -1.26 -3.49 135.00 142.22 1ups n PRO 192 Ca 0.16 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 1ups n PRO 192 Cb 0.47 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1ups n PRO 192 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ups n ASN 193 N -1.44 1.94 -3.76 3.54 3.02 -1.26 -4.90 115.26 112.40 1ups n ASN 193 Ca 0.08 -1.47 -0.23 0.00 -0.03 0.00 0.00 54.58 52.92 1ups n ASN 193 Cb 0.27 0.22 -0.17 0.00 -0.61 0.00 0.00 39.78 39.49 1ups n ASN 193 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1ups s PHE 194 N -1.53 0.68 -0.86 3.10 2.19 -1.23 -4.88 117.98 115.45 1ups s PHE 194 Ca 0.15 -0.23 -0.04 0.00 0.33 0.00 0.00 56.93 57.15 1ups s PHE 194 Cb 0.13 -0.81 0.00 0.00 -1.31 0.00 0.00 43.02 41.03 1ups s PHE 194 CO 0.28 -0.36 0.62 0.94 1.83 0.00 0.00 175.22 178.54 1ups n GLN 195 N 5.14 -1.39 0.00 10.12 -0.06 -1.26 -2.49 117.38 127.45 1ups n GLN 195 Ca -0.07 0.75 0.14 0.00 -2.00 0.00 0.00 57.00 55.82 1ups n GLN 195 Cb 0.50 -2.66 0.76 0.00 -4.06 0.00 0.00 30.24 24.78 1ups n GLN 195 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1ups n THR 196 N -2.82 0.06 -4.12 1.69 -2.24 -1.26 -0.47 114.28 105.11 1ups n THR 196 Ca -0.27 0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.37 1ups n THR 196 Cb 0.66 -0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 68.20 1ups n THR 196 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ups s SER 197 N -2.28 1.17 0.15 3.42 0.01 -1.26 -4.86 113.70 110.06 1ups s SER 197 Ca 0.34 -0.55 -0.34 0.00 1.31 0.00 0.00 55.95 56.72 1ups s SER 197 Cb 0.19 -0.01 -0.15 0.00 0.21 0.00 0.00 66.02 66.26 1ups s SER 197 CO 0.37 -0.13 1.32 0.79 0.41 0.00 0.00 173.24 176.00 1ups n TRP 198 N 1.50 1.66 -4.85 2.43 7.02 -1.26 -4.77 117.44 119.18 1ups n TRP 198 Ca -0.21 0.56 -0.33 0.00 -1.02 0.00 0.00 57.50 56.50 1ups n TRP 198 Cb 0.55 -2.37 -0.14 0.00 -2.42 0.00 0.00 31.31 26.92 1ups n TRP 198 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1ups s THR 199 N 0.22 2.95 -0.02 -0.99 -1.32 -0.66 -5.00 115.64 110.82 1ups s THR 199 Ca 0.77 -0.71 -0.01 0.00 -1.21 0.00 0.00 61.69 60.53 1ups s THR 199 Cb -0.82 -2.21 0.01 0.00 -1.51 0.00 0.00 72.50 67.97 1ups s THR 199 CO 0.48 0.54 0.04 -0.63 -2.21 0.00 0.00 174.62 172.84 1ups s ILE 200 N 0.15 -0.02 0.05 5.08 1.01 -1.26 -1.66 121.20 124.55 1ups s ILE 200 Ca -0.08 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 1ups s ILE 200 Cb -0.15 -0.07 -0.03 0.00 0.01 0.00 0.00 42.46 42.22 1ups s ILE 200 CO 0.05 0.03 0.02 -0.94 0.00 0.00 0.00 174.94 174.11 1ups s SER 201 N 0.41 0.36 -0.39 3.58 1.04 -0.50 -5.02 113.70 113.18 1ups s SER 201 Ca -0.03 -0.82 0.10 0.00 0.48 0.00 0.00 55.95 55.67 1ups s SER 201 Cb -0.05 0.22 0.32 0.00 0.10 0.00 0.00 66.02 66.61 1ups s SER 201 CO -0.01 -0.58 0.74 -1.84 0.98 0.00 0.00 173.24 172.53 1ups n GLU 202 N 0.33 0.91 -1.32 4.02 0.28 -1.26 -1.63 120.64 121.97 1ups n GLU 202 Ca -0.16 -3.09 -0.33 0.00 -0.16 0.00 0.00 57.16 53.42 1ups n GLU 202 Cb 0.60 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 32.07 1ups n GLU 202 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1ups s ASP 203 N -1.97 4.08 0.28 -1.84 -0.00 -1.24 -4.55 116.67 111.43 1ups s ASP 203 Ca 0.36 2.24 -0.28 0.00 -0.00 0.00 0.00 52.55 54.87 1ups s ASP 203 Cb 0.30 -2.58 -0.09 0.00 -0.00 0.00 0.00 42.92 40.55 1ups s ASP 203 CO -0.09 -2.33 0.99 -0.54 -0.00 0.00 0.00 175.17 173.20 1ups s LYS 204 N -4.15 4.68 0.46 8.23 3.01 -1.26 -1.57 119.74 129.14 1ups s LYS 204 Ca 0.71 1.54 -0.23 0.00 -1.01 0.00 0.00 55.97 56.97 1ups s LYS 204 Cb -0.26 -3.08 -0.07 0.00 -1.01 0.00 0.00 37.83 33.41 1ups s LYS 204 CO 0.48 0.33 1.19 0.14 0.51 0.00 0.00 175.35 177.99 1ups s VAL 205 N -1.32 3.00 -0.17 3.17 -7.23 -0.10 -4.88 120.40 112.89 1ups s VAL 205 Ca 0.45 0.77 0.29 0.00 -1.81 0.00 0.00 61.98 61.68 1ups s VAL 205 Cb -0.26 -3.40 0.35 0.00 0.56 0.00 0.00 36.38 33.64 1ups s VAL 205 CO 0.32 0.00 1.85 1.55 -0.31 0.00 0.00 175.10 178.51 1ups h PRO 206 N 2.08 0.00 -2.74 4.82 0.13 -1.95 -3.47 132.00 130.88 1ups h PRO 206 Ca -0.49 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1ups h PRO 206 Cb 1.25 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 1ups h PRO 206 CO 0.60 0.00 0.29 -1.54 -0.23 0.00 0.00 178.00 177.12 1ups s SER 207 N -5.48 -0.51 0.00 1.44 1.04 -1.26 -5.17 113.70 103.76 1ups s SER 207 Ca 0.04 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1ups s SER 207 Cb 0.08 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1ups s SER 207 CO 0.55 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1ups n GLY 208 N -0.27 -1.32 2.71 7.32 0.00 -1.26 -4.86 105.19 107.51 1ups n GLY 208 Ca -0.15 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 1ups n GLY 208 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ups s ASP 209 N -2.64 3.64 0.56 1.61 2.15 -1.26 -5.01 116.67 115.71 1ups s ASP 209 Ca 0.00 -2.61 0.30 0.00 0.43 0.00 0.00 52.55 50.67 1ups s ASP 209 Cb 0.00 -1.03 1.46 0.00 -0.30 0.00 0.00 42.92 43.06 1ups s ASP 209 CO 0.00 -0.27 1.89 -0.65 -0.17 0.00 0.00 175.17 175.97 1ups h PRO 210 N 6.74 0.00 -0.01 4.34 0.11 -1.83 -1.48 132.00 139.87 1ups h PRO 210 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ups h PRO 210 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1ups h PRO 210 CO 0.48 0.00 -0.01 0.25 -0.21 0.00 0.00 178.00 178.51 1ups n THR 211 N -4.05 0.00 -0.57 -1.15 -2.24 -1.26 -1.52 114.28 103.49 1ups n THR 211 Ca 0.14 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ups n THR 211 Cb 0.84 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1ups n THR 211 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ups n SER 212 N -0.10 0.52 -3.97 3.42 3.41 -0.60 -4.20 113.62 112.10 1ups n SER 212 Ca 0.20 -1.09 -0.09 0.00 -0.26 0.00 0.00 58.87 57.62 1ups n SER 212 Cb 0.31 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.15 1ups n SER 212 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ups s GLU 213 N -0.09 0.33 0.07 4.33 2.02 -0.91 -4.95 118.70 119.49 1ups s GLU 213 Ca 0.00 -0.57 -0.30 0.00 0.02 0.00 0.00 54.97 54.11 1ups s GLU 213 Cb 0.00 0.12 -0.05 0.00 0.10 0.00 0.00 34.13 34.30 1ups s GLU 213 CO 0.00 -0.06 1.11 0.71 0.02 0.00 0.00 175.26 177.04 1ups s TYR 214 N -1.43 3.55 0.24 1.61 2.02 -1.26 -4.26 117.35 117.82 1ups s TYR 214 Ca -0.16 1.50 0.04 0.00 -0.37 0.00 0.00 57.07 58.08 1ups s TYR 214 Cb -0.10 -3.29 -0.05 0.00 -0.40 0.00 0.00 41.96 38.12 1ups s TYR 214 CO -0.01 -0.71 -0.00 -1.01 -1.57 0.00 0.00 175.55 172.25 1ups s HIS 215 N 0.70 1.63 -0.17 2.71 3.76 -0.67 -0.71 115.29 122.53 1ups s HIS 215 Ca 0.54 -0.91 -0.06 0.00 -0.15 0.00 0.00 55.06 54.49 1ups s HIS 215 Cb -0.27 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.43 1ups s HIS 215 CO 0.30 -0.01 0.01 0.42 -0.85 0.00 0.00 174.74 174.62 1ups s ILE 216 N -3.38 4.31 -0.09 0.60 1.01 -1.26 -1.34 121.20 121.06 1ups s ILE 216 Ca 0.29 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.78 1ups s ILE 216 Cb 0.06 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 1ups s ILE 216 CO 0.10 0.47 -0.22 -0.31 0.00 0.00 0.00 174.94 174.98 1ups s TYR 217 N 0.46 2.58 0.03 3.97 1.51 -0.04 -0.80 117.35 125.06 1ups s TYR 217 Ca -0.00 -0.81 -0.05 0.00 -1.01 0.00 0.00 57.07 55.20 1ups s TYR 217 Cb -0.13 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1ups s TYR 217 CO 0.02 -0.28 0.08 0.00 -1.11 0.00 0.00 175.55 174.26 1ups s ALA 218 N 0.11 -0.08 -0.06 3.71 0.00 -0.15 -1.07 121.76 124.22 1ups s ALA 218 Ca -0.11 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1ups s ALA 218 Cb -0.16 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1ups s ALA 218 CO 0.06 -0.26 -0.05 1.41 0.00 0.00 0.00 175.76 176.92 1ups s MET 219 N -2.11 1.01 -0.28 0.00 1.75 0.38 -0.78 119.30 119.27 1ups s MET 219 Ca -0.09 -0.14 -0.11 0.00 -1.25 0.00 0.00 55.69 54.10 1ups s MET 219 Cb -0.04 -1.03 -0.05 0.00 2.84 0.00 0.00 34.83 36.55 1ups s MET 219 CO -0.02 -0.12 0.19 -2.00 -0.65 0.00 0.00 175.02 172.42 1ups s GLU 220 N 1.11 3.95 -0.33 4.11 2.12 0.85 -0.44 118.70 130.07 1ups s GLU 220 Ca -0.08 -0.31 -0.07 0.00 0.36 0.00 0.00 54.97 54.87 1ups s GLU 220 Cb -0.14 -3.66 0.03 0.00 0.26 0.00 0.00 34.13 30.62 1ups s GLU 220 CO -0.01 -0.18 0.11 -0.46 -0.54 0.00 0.00 175.26 174.17 1ups s TRP 221 N 1.77 3.24 0.48 5.30 -0.00 -0.14 -1.00 118.94 128.59 1ups s TRP 221 Ca 0.07 -1.34 0.06 0.00 -0.00 0.00 0.00 56.10 54.89 1ups s TRP 221 Cb -0.16 -2.28 -0.00 0.00 -0.00 0.00 0.00 33.47 31.02 1ups s TRP 221 CO 0.11 -0.71 0.29 0.95 -0.00 0.00 0.00 176.95 177.59 1ups s THR 222 N 1.42 1.96 0.53 5.86 -4.23 -0.46 -1.48 115.64 119.25 1ups s THR 222 Ca -0.01 -1.58 0.34 0.00 -1.18 0.00 0.00 61.69 59.26 1ups s THR 222 Cb -0.19 -2.54 0.34 0.00 1.34 0.00 0.00 72.50 71.44 1ups s THR 222 CO 0.03 0.00 2.03 -0.65 -0.54 0.00 0.00 174.62 175.49 1ups h PRO 223 N 1.06 0.00 0.00 3.99 0.11 -1.95 -3.24 132.00 131.97 1ups h PRO 223 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1ups h PRO 223 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ups h PRO 223 CO 0.63 0.00 -0.24 0.25 -0.21 0.00 0.00 178.00 178.43 1ups n THR 224 N -2.83 0.00 -3.67 -1.15 -2.24 -1.26 -4.60 114.28 98.52 1ups n THR 224 Ca -0.02 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 1ups n THR 224 Cb 0.21 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 1ups n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ups s ALA 225 N -1.30 -1.37 -0.20 6.98 0.00 -1.22 -1.19 121.76 123.46 1ups s ALA 225 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1ups s ALA 225 Cb 0.01 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.03 1ups s ALA 225 CO 0.05 -0.92 -0.17 -0.51 0.00 0.00 0.00 175.76 174.21 1ups s LEU 226 N -2.85 2.47 -0.11 0.00 1.43 0.18 -1.35 118.68 118.45 1ups s LEU 226 Ca 0.07 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 1ups s LEU 226 Cb -0.04 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 1ups s LEU 226 CO -0.02 -0.05 -0.17 -0.54 0.23 0.00 0.00 176.35 175.81 1ups s LYS 227 N 1.25 3.20 -0.08 1.70 1.02 -0.17 -0.79 119.74 125.87 1ups s LYS 227 Ca 0.02 -0.76 0.02 0.00 0.02 0.00 0.00 55.97 55.27 1ups s LYS 227 Cb -0.15 -2.49 -0.02 0.00 -0.52 0.00 0.00 37.83 34.65 1ups s LYS 227 CO -0.11 0.23 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.37 1ups s PHE 228 N 0.26 2.78 -0.06 3.18 0.08 0.37 -0.11 117.98 124.49 1ups s PHE 228 Ca -0.12 -0.25 0.04 0.00 0.12 0.00 0.00 56.93 56.72 1ups s PHE 228 Cb -0.16 -1.71 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1ups s PHE 228 CO 0.06 0.11 -0.17 0.71 -0.10 0.00 0.00 175.22 175.83 1ups s TYR 229 N -0.44 1.75 -0.20 0.36 2.02 0.04 -0.12 117.35 120.76 1ups s TYR 229 Ca 0.06 -0.57 -0.04 0.00 -0.37 0.00 0.00 57.07 56.15 1ups s TYR 229 Cb -0.12 -1.20 -0.01 0.00 -0.40 0.00 0.00 41.96 40.23 1ups s TYR 229 CO 0.02 -0.23 -0.05 -0.47 -1.57 0.00 0.00 175.55 173.25 1ups s TYR 230 N 0.25 2.96 -1.49 2.71 5.04 -0.19 -0.98 117.35 125.65 1ups s TYR 230 Ca -0.09 -0.78 -0.03 0.00 -2.44 0.00 0.00 57.07 53.73 1ups s TYR 230 Cb -0.14 -2.06 0.03 0.00 0.35 0.00 0.00 41.96 40.15 1ups s TYR 230 CO 0.03 -0.42 0.40 -0.25 -1.34 0.00 0.00 175.55 173.98 1ups n ASP 231 N 4.45 -0.58 -0.15 4.32 8.00 0.02 -1.68 116.55 130.94 1ups n ASP 231 Ca -0.18 -1.06 -0.02 0.00 0.71 0.00 0.00 54.79 54.24 1ups n ASP 231 Cb 0.51 -2.73 -0.01 0.00 -0.02 0.00 0.00 41.12 38.87 1ups n ASP 231 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ups n ASN 232 N -2.91 -4.67 -4.27 -2.24 3.02 -1.26 -5.01 115.26 97.92 1ups n ASN 232 Ca -0.25 0.05 -0.29 0.00 -0.03 0.00 0.00 54.58 54.06 1ups n ASN 232 Cb 0.65 -2.34 -0.16 0.00 -0.61 0.00 0.00 39.78 37.33 1ups n ASN 232 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ups s GLU 233 N -1.44 1.88 0.28 3.52 2.02 -0.68 -5.06 118.70 119.22 1ups s GLU 233 Ca 0.00 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 1ups s GLU 233 Cb 0.00 -1.83 -0.12 0.00 0.10 0.00 0.00 34.13 32.28 1ups s GLU 233 CO 0.00 0.50 1.57 -0.11 0.02 0.00 0.00 175.26 177.25 1ups n LEU 234 N 2.46 4.11 0.00 1.80 7.94 -1.26 -1.03 117.00 131.02 1ups n LEU 234 Ca -0.16 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.88 1ups n LEU 234 Cb 0.52 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.91 1ups n LEU 234 CO 0.23 0.04 -0.36 0.33 -1.11 0.00 0.00 177.39 176.52 1ups n PHE 235 N 2.25 0.00 -3.56 1.96 7.35 0.83 -4.83 117.46 121.46 1ups n PHE 235 Ca 0.10 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.63 1ups n PHE 235 Cb 0.36 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.12 1ups n PHE 235 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1ups s LYS 236 N -1.73 0.92 -0.05 -4.13 2.47 -1.09 -5.00 119.74 111.13 1ups s LYS 236 Ca 0.00 0.48 0.02 0.00 -1.56 0.00 0.00 55.97 54.91 1ups s LYS 236 Cb 0.00 0.44 0.01 0.00 -1.46 0.00 0.00 37.83 36.82 1ups s LYS 236 CO 0.00 -0.23 -0.10 0.08 0.16 0.00 0.00 175.35 175.26 1ups s VAL 237 N -0.65 0.92 -0.16 4.02 1.01 -1.26 -0.48 120.40 123.80 1ups s VAL 237 Ca -0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 1ups s VAL 237 Cb -0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 1ups s VAL 237 CO 0.06 0.30 -0.14 -0.63 0.00 0.00 0.00 175.10 174.69 1ups s ILE 238 N 0.60 2.75 -0.16 2.22 1.01 0.03 -5.01 121.20 122.65 1ups s ILE 238 Ca -0.11 -0.74 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 1ups s ILE 238 Cb -0.14 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1ups s ILE 238 CO 0.02 0.51 0.67 -0.31 0.00 0.00 0.00 174.94 175.83 1ups s TYR 239 N 0.90 3.44 0.00 3.97 1.51 -1.26 -0.64 117.35 125.26 1ups s TYR 239 Ca -0.03 1.06 0.00 0.00 -1.01 0.00 0.00 57.07 57.09 1ups s TYR 239 Cb -0.15 -2.82 0.00 0.00 -0.11 0.00 0.00 41.96 38.88 1ups s TYR 239 CO -0.01 -0.10 0.00 0.41 -1.11 0.00 0.00 175.55 174.74 1ups n GLY 240 N 3.53 3.27 3.64 0.71 0.00 -0.33 -4.95 105.19 111.05 1ups n GLY 240 Ca -0.01 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 1ups n GLY 240 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ups s SER 241 N 0.00 -0.69 0.62 1.61 1.04 -1.26 -3.42 113.70 111.60 1ups s SER 241 Ca 0.00 1.21 -0.19 0.00 0.48 0.00 0.00 55.95 57.45 1ups s SER 241 Cb 0.00 1.26 -0.02 0.00 0.10 0.00 0.00 66.02 67.36 1ups s SER 241 CO 0.00 -0.20 1.28 -2.84 0.98 0.00 0.00 173.24 172.46 1ups s PRO 242 N 0.92 2.72 -0.38 4.02 0.02 -1.26 -4.93 135.00 136.11 1ups s PRO 242 Ca -0.04 2.01 0.05 0.00 0.02 0.00 0.00 61.00 63.05 1ups s PRO 242 Cb -0.05 -1.90 0.45 0.00 0.02 0.00 0.00 34.50 33.02 1ups s PRO 242 CO -0.10 -1.46 1.34 -3.47 -0.33 0.00 0.00 177.00 172.98 1ups n ASP 243 N -1.74 5.41 -3.84 2.53 2.03 -1.26 -4.93 116.55 114.74 1ups n ASP 243 Ca 0.15 -3.76 -0.10 0.00 0.52 0.00 0.00 54.79 51.61 1ups n ASP 243 Cb 0.48 -0.47 -0.05 0.00 -0.72 0.00 0.00 41.12 40.36 1ups n ASP 243 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1ups s TYR 244 N -3.64 0.12 0.50 -0.67 -0.85 -1.26 -5.15 117.35 106.40 1ups s TYR 244 Ca 0.53 -0.48 -0.23 0.00 -0.52 0.00 0.00 57.07 56.38 1ups s TYR 244 Cb 0.43 0.18 -0.06 0.00 0.38 0.00 0.00 41.96 42.88 1ups s TYR 244 CO -0.00 -0.82 1.28 -1.21 -1.52 0.00 0.00 175.55 173.28 1ups s GLU 245 N -3.92 3.45 0.05 -3.49 2.02 -1.26 -4.62 118.70 110.94 1ups s GLU 245 Ca 0.13 2.06 0.06 0.00 0.02 0.00 0.00 54.97 57.23 1ups s GLU 245 Cb 0.01 -2.36 -0.02 0.00 0.10 0.00 0.00 34.13 31.86 1ups s GLU 245 CO -0.02 -0.89 -0.16 -1.64 0.02 0.00 0.00 175.26 172.58 1ups s MET 246 N -2.77 0.99 0.35 1.61 -1.94 -0.41 -2.05 119.30 115.08 1ups s MET 246 Ca 0.67 -0.86 0.05 0.00 -1.71 0.00 0.00 55.69 53.84 1ups s MET 246 Cb -0.36 -1.03 -0.01 0.00 2.01 0.00 0.00 34.83 35.44 1ups s MET 246 CO 0.43 0.25 0.51 0.20 -0.01 0.00 0.00 175.02 176.40 1ups s GLY 247 N -1.33 1.56 -0.04 -0.03 0.00 -0.20 -2.45 107.32 104.83 1ups s GLY 247 Ca 0.02 -1.35 0.05 0.00 0.00 0.00 0.00 44.72 43.44 1ups s GLY 247 CO 0.02 -1.26 -0.18 -1.59 0.00 0.00 0.00 173.10 170.08 1ups s THR 248 N -2.25 2.70 -0.05 0.90 2.01 -1.26 -1.55 115.64 116.14 1ups s THR 248 Ca 0.45 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1ups s THR 248 Cb -0.10 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 70.39 1ups s THR 248 CO 0.32 0.59 -0.18 -0.63 -0.69 0.00 0.00 174.62 174.03 1ups s ILE 249 N -0.65 1.53 -0.20 1.82 1.01 0.13 -0.85 121.20 124.00 1ups s ILE 249 Ca 0.10 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1ups s ILE 249 Cb -0.11 -1.31 0.04 0.00 0.01 0.00 0.00 42.46 41.09 1ups s ILE 249 CO 0.00 0.44 -0.13 -0.76 0.00 0.00 0.00 174.94 174.49 1ups s LEU 250 N 0.07 2.34 0.38 2.97 1.43 -0.63 -1.39 118.68 123.85 1ups s LEU 250 Ca -0.05 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.12 1ups s LEU 250 Cb -0.12 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.79 1ups s LEU 250 CO 0.03 -0.10 0.63 0.54 0.23 0.00 0.00 176.35 177.67 1ups s ASN 251 N 1.34 0.63 0.01 2.29 4.22 -0.39 -1.44 114.94 121.60 1ups s ASN 251 Ca -0.00 -1.41 -0.03 0.00 -2.14 0.00 0.00 52.86 49.28 1ups s ASN 251 Cb -0.16 0.77 -0.01 0.00 1.28 0.00 0.00 41.25 43.13 1ups s ASN 251 CO -0.09 -1.52 0.04 -0.51 -2.04 0.00 0.00 177.10 172.98 1ups s ILE 252 N -2.53 0.09 0.06 0.54 2.07 -0.99 -0.58 121.20 119.85 1ups s ILE 252 Ca 0.24 -0.74 0.03 0.00 -1.41 0.00 0.00 60.65 58.78 1ups s ILE 252 Cb -0.03 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.23 1ups s ILE 252 CO 0.18 -0.40 -0.10 -0.31 -1.91 0.00 0.00 174.94 172.39 1ups s TYR 253 N -1.28 0.89 0.17 3.50 1.51 0.58 -2.25 117.35 120.47 1ups s TYR 253 Ca -0.14 -0.54 -0.06 0.00 -1.01 0.00 0.00 57.07 55.32 1ups s TYR 253 Cb -0.08 -0.51 -0.02 0.00 -0.11 0.00 0.00 41.96 41.24 1ups s TYR 253 CO 0.00 -0.04 0.23 -0.08 -1.11 0.00 0.00 175.55 174.56 1ups s THR 254 N -1.64 0.06 -1.63 -0.71 -1.32 -0.83 -2.21 115.64 107.36 1ups s THR 254 Ca -0.04 -1.60 -0.03 0.00 -1.21 0.00 0.00 61.69 58.81 1ups s THR 254 Cb -0.08 -2.03 0.01 0.00 -1.51 0.00 0.00 72.50 68.88 1ups s THR 254 CO 0.01 -0.25 0.35 0.47 -2.21 0.00 0.00 174.62 172.99 1ups n ASP 255 N -0.22 -5.93 0.00 8.08 8.00 -1.11 -1.75 116.55 123.63 1ups n ASP 255 Ca -0.05 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1ups n ASP 255 Cb 0.63 -4.86 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 1ups n ASP 255 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ups n ALA 256 N -2.92 0.00 0.32 2.24 0.00 -1.25 -3.42 120.51 115.48 1ups n ALA 256 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1ups n ALA 256 Cb 0.65 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.61 1ups n ALA 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ups n GLY 257 N 5.00 -1.15 0.81 0.00 0.00 -1.26 -1.87 105.19 106.72 1ups n GLY 257 Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1ups n GLY 257 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ups n SER 258 N -2.24 2.33 0.00 1.61 3.41 -1.26 -5.00 113.62 112.47 1ups n SER 258 Ca 0.01 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1ups n SER 258 Cb 0.17 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1ups n SER 258 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ups n GLY 259 N 0.97 2.71 3.76 5.00 0.00 -0.78 -1.63 105.19 115.22 1ups n GLY 259 Ca 0.13 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 1ups n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ups s ALA 260 N -2.41 2.98 0.43 4.61 0.00 -1.26 -2.73 121.76 123.38 1ups s ALA 260 Ca 0.00 1.13 -0.25 0.00 0.00 0.00 0.00 51.96 52.85 1ups s ALA 260 Cb 0.00 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 1ups s ALA 260 CO 0.00 -0.93 1.19 -2.39 0.00 0.00 0.00 175.76 173.62 1ups n HIS 261 N -0.54 1.82 -1.61 0.00 1.44 -1.26 -2.20 115.22 112.87 1ups n HIS 261 Ca 0.08 0.52 -0.06 0.00 -2.01 0.00 0.00 57.72 56.24 1ups n HIS 261 Cb 0.46 -2.32 0.04 0.00 0.12 0.00 0.00 29.99 28.28 1ups n HIS 261 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1ups n ASN 262 N 0.22 0.12 -1.72 4.39 6.94 -1.26 -4.70 115.26 119.25 1ups n ASN 262 Ca 0.08 -1.15 0.07 0.00 -0.02 0.00 0.00 54.58 53.56 1ups n ASN 262 Cb 0.40 -0.19 0.37 0.00 -2.36 0.00 0.00 39.78 38.00 1ups n ASN 262 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1ups n ASP 263 N -3.11 5.15 -4.66 0.53 8.00 -1.26 -4.88 116.55 116.32 1ups n ASP 263 Ca 0.03 -2.72 -0.38 0.00 0.71 0.00 0.00 54.79 52.44 1ups n ASP 263 Cb 0.12 -0.64 -0.08 0.00 -0.02 0.00 0.00 41.12 40.50 1ups n ASP 263 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ups s VAL 264 N -2.38 5.25 0.07 2.53 1.01 -1.26 -5.08 120.40 120.55 1ups s VAL 264 Ca 0.50 0.50 0.02 0.00 0.00 0.00 0.00 61.98 63.01 1ups s VAL 264 Cb 0.36 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1ups s VAL 264 CO 0.18 0.27 -0.08 0.26 0.00 0.00 0.00 175.10 175.73 1ups s TRP 265 N 1.34 0.84 0.73 5.22 0.52 -1.26 -4.37 118.94 121.96 1ups s TRP 265 Ca 0.14 -0.67 -0.11 0.00 0.02 0.00 0.00 56.10 55.49 1ups s TRP 265 Cb -0.14 -0.48 0.03 0.00 -1.15 0.00 0.00 33.47 31.72 1ups s TRP 265 CO 0.07 -0.09 1.07 -2.14 0.02 0.00 0.00 176.95 175.89 1ups s PRO 266 N -2.57 2.69 -0.15 4.98 0.02 -1.26 -5.06 135.00 133.65 1ups s PRO 266 Ca 0.01 0.75 -0.29 0.00 0.02 0.00 0.00 61.00 61.48 1ups s PRO 266 Cb -0.04 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 1ups s PRO 266 CO -0.01 -1.22 1.13 0.15 -0.33 0.00 0.00 177.00 176.72 1ups s LYS 267 N -5.14 4.30 -0.02 5.54 -0.14 -0.52 -4.88 119.74 118.88 1ups s LYS 267 Ca 0.59 1.52 -0.18 0.00 -1.36 0.00 0.00 55.97 56.53 1ups s LYS 267 Cb -0.13 -3.64 0.03 0.00 -1.68 0.00 0.00 37.83 32.41 1ups s LYS 267 CO 0.54 -0.55 0.39 -1.83 -0.76 0.00 0.00 175.35 173.14 1ups s GLU 268 N 2.86 0.77 0.18 1.68 -1.05 -1.26 -0.32 118.70 121.56 1ups s GLU 268 Ca 0.50 -0.11 -0.02 0.00 -0.15 0.00 0.00 54.97 55.19 1ups s GLU 268 Cb -0.19 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 33.80 1ups s GLU 268 CO 0.14 -0.22 0.13 1.67 0.95 0.00 0.00 175.26 177.93 1ups s TRP 269 N -1.38 1.02 -0.07 4.83 1.48 -1.07 -3.57 118.94 120.20 1ups s TRP 269 Ca -0.12 -1.29 0.02 0.00 -1.06 0.00 0.00 56.10 53.64 1ups s TRP 269 Cb -0.04 -0.49 0.02 0.00 -1.16 0.00 0.00 33.47 31.80 1ups s TRP 269 CO 0.05 -0.63 -0.11 0.00 -4.06 0.00 0.00 176.95 172.20 1ups s ALA 270 N -4.12 1.18 -0.23 2.67 0.00 -0.65 -2.59 121.76 118.02 1ups s ALA 270 Ca 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.92 1ups s ALA 270 Cb 0.07 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1ups s ALA 270 CO 0.09 0.06 -0.09 0.42 0.00 0.00 0.00 175.76 176.23 1ups s ILE 271 N 0.77 2.69 0.07 0.00 1.01 0.12 -0.93 121.20 124.94 1ups s ILE 271 Ca -0.13 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.39 1ups s ILE 271 Cb -0.15 -2.31 -0.17 0.00 0.01 0.00 0.00 42.46 39.83 1ups s ILE 271 CO 0.02 0.29 1.27 -0.78 0.00 0.00 0.00 174.94 175.74 1ups h ASP 272 N 7.99 0.80 -4.87 3.58 -0.00 -0.59 -0.59 116.42 122.74 1ups h ASP 272 Ca -0.36 -0.64 0.05 0.00 -0.00 0.00 0.00 57.03 56.09 1ups h ASP 272 Cb 1.12 -0.24 -0.13 0.00 -0.00 0.00 0.00 39.33 40.08 1ups h ASP 272 CO 0.58 1.31 0.35 -0.72 -0.00 0.00 0.00 179.24 180.77 1ups s TYR 273 N -3.71 -0.41 -0.05 0.28 -0.85 -1.24 -4.14 117.35 107.24 1ups s TYR 273 Ca -0.11 0.21 0.03 0.00 -0.52 0.00 0.00 57.07 56.68 1ups s TYR 273 Cb 0.07 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.98 1ups s TYR 273 CO 0.87 -0.74 -0.15 1.41 -1.52 0.00 0.00 175.55 175.42 1ups s MET 274 N -3.46 1.70 0.02 -3.49 1.75 -0.34 -2.63 119.30 112.84 1ups s MET 274 Ca 0.04 -0.53 0.02 0.00 -1.25 0.00 0.00 55.69 53.98 1ups s MET 274 Cb -0.01 -1.45 -0.01 0.00 2.84 0.00 0.00 34.83 36.19 1ups s MET 274 CO -0.09 0.17 -0.08 1.03 -0.65 0.00 0.00 175.02 175.40 1ups s ARG 275 N 0.23 0.56 -0.07 4.11 0.52 -0.07 -0.81 118.95 123.42 1ups s ARG 275 Ca -0.07 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 1ups s ARG 275 Cb -0.12 -0.46 0.02 0.00 0.52 0.00 0.00 34.95 34.90 1ups s ARG 275 CO 0.03 0.11 -0.09 0.08 0.02 0.00 0.00 175.30 175.45 1ups s VAL 276 N -0.74 0.94 0.20 3.52 1.01 0.42 -0.97 120.40 124.78 1ups s VAL 276 Ca -0.03 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.72 1ups s VAL 276 Cb -0.06 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1ups s VAL 276 CO 0.00 0.32 -0.13 0.26 0.00 0.00 0.00 175.10 175.56 1ups s TRP 277 N 1.03 2.53 -0.03 5.22 0.51 0.02 0.09 118.94 128.31 1ups s TRP 277 Ca -0.08 -0.26 0.06 0.00 -2.12 0.00 0.00 56.10 53.70 1ups s TRP 277 Cb -0.15 -1.22 -0.01 0.00 -0.81 0.00 0.00 33.47 31.28 1ups s TRP 277 CO -0.00 0.53 -0.22 0.15 -0.51 0.00 0.00 176.95 176.91 1ups s LYS 278 N -2.92 1.93 0.28 4.98 -0.14 0.65 -0.91 119.74 123.62 1ups s LYS 278 Ca 0.25 -0.77 -0.29 0.00 -1.36 0.00 0.00 55.97 53.79 1ups s LYS 278 Cb -0.08 -1.77 -0.10 0.00 -1.68 0.00 0.00 37.83 34.20 1ups s LYS 278 CO 0.14 0.41 1.38 -1.25 -0.76 0.00 0.00 175.35 175.27 1ups s PRO 279 N -0.33 4.30 0.16 -1.68 0.04 -1.26 -0.19 135.00 136.04 1ups s PRO 279 Ca 0.04 2.27 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 1ups s PRO 279 Cb -0.10 -3.09 0.08 0.00 0.04 0.00 0.00 34.50 31.43 1ups s PRO 279 CO 0.01 -0.33 1.70 0.28 0.04 0.00 0.00 177.00 178.70 1ups h VAL 280 N 3.33 0.71 -0.20 -0.36 2.07 -1.57 -2.33 116.25 117.91 1ups h VAL 280 Ca -0.47 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1ups h VAL 280 Cb 1.22 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1ups h VAL 280 CO 0.72 0.02 0.00 0.47 0.02 0.00 0.00 177.57 178.80 1ups n ASP 281 N -5.20 1.89 0.00 0.57 9.92 -1.26 -5.05 116.55 117.42 1ups n ASP 281 Ca 0.02 -1.75 0.00 0.00 -0.53 0.00 0.00 54.79 52.52 1ups n ASP 281 Cb 0.19 -0.12 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1ups n ASP 281 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ups n GLY 282 N 1.17 -1.78 3.74 0.44 0.00 -0.88 -4.89 105.19 102.99 1ups n GLY 282 Ca 0.16 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 1ups n GLY 282 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ups s TYR 283 N -1.78 3.73 0.00 1.61 2.02 -1.26 -4.88 117.35 116.79 1ups s TYR 283 Ca 0.00 1.53 0.00 0.00 -0.37 0.00 0.00 57.07 58.23 1ups s TYR 283 Cb 0.00 -2.88 0.00 0.00 -0.40 0.00 0.00 41.96 38.68 1ups s TYR 283 CO 0.00 0.23 0.00 1.63 -1.57 0.00 0.00 175.55 175.84 1ups n LYS 284 N 2.93 2.26 0.00 -0.62 4.76 -1.26 -5.02 118.16 121.20 1ups n LYS 284 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1ups n LYS 284 Cb 0.50 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 1ups n LYS 284 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1ups n ASN 290 N 0.00 0.00 -3.98 4.39 4.13 -1.26 -5.08 115.26 113.46 1ups n ASN 290 Ca 0.00 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.10 1ups n ASN 290 Cb 0.00 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.10 1ups n ASN 290 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1ups s ASN 291 N -4.00 0.73 0.01 6.41 0.01 -1.26 -4.42 114.94 112.43 1ups s ASN 291 Ca 0.00 -0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.03 1ups s ASN 291 Cb 0.00 -0.07 -0.01 0.00 0.41 0.00 0.00 41.25 41.57 1ups s ASN 291 CO 0.00 0.06 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.30 1ups s TYR 292 N -0.21 0.35 0.36 2.20 1.51 0.10 -1.09 117.35 120.58 1ups s TYR 292 Ca 0.02 -0.28 -0.07 0.00 -1.01 0.00 0.00 57.07 55.73 1ups s TYR 292 Cb -0.03 -0.22 -0.05 0.00 -0.11 0.00 0.00 41.96 41.54 1ups s TYR 292 CO -0.00 -0.07 0.66 -0.51 -1.11 0.00 0.00 175.55 174.52 1ups s LEU 293 N -0.78 3.92 -0.18 -1.29 1.43 0.34 -0.41 118.68 121.72 1ups s LEU 293 Ca -0.06 0.90 -0.00 0.00 -1.03 0.00 0.00 54.13 53.94 1ups s LEU 293 Cb -0.05 -3.75 0.04 0.00 0.03 0.00 0.00 46.19 42.46 1ups s LEU 293 CO -0.00 -0.32 -0.06 -0.63 0.23 0.00 0.00 176.35 175.57 1ups s ILE 294 N -2.27 1.24 -0.07 -0.59 1.01 -1.26 -0.84 121.20 118.42 1ups s ILE 294 Ca 0.47 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1ups s ILE 294 Cb -0.10 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 1ups s ILE 294 CO 0.32 0.11 -0.10 -0.60 0.00 0.00 0.00 174.94 174.67 1ups s ARG 295 N 1.57 2.74 0.03 2.79 3.52 -0.17 -1.29 118.95 128.14 1ups s ARG 295 Ca -0.00 -0.62 -0.28 0.00 -0.13 0.00 0.00 55.73 54.70 1ups s ARG 295 Cb -0.16 -2.52 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 1ups s ARG 295 CO -0.08 0.59 0.89 1.21 -0.81 0.00 0.00 175.30 177.11 1ups s ASN 296 N -0.64 7.31 0.18 -2.12 3.84 -0.05 -0.37 114.94 123.09 1ups s ASN 296 Ca 0.09 1.58 -0.13 0.00 0.21 0.00 0.00 52.86 54.62 1ups s ASN 296 Cb -0.11 -2.53 0.08 0.00 -0.55 0.00 0.00 41.25 38.14 1ups s ASN 296 CO 0.01 -0.13 1.80 -0.09 -2.79 0.00 0.00 177.10 175.90 1ups h ARG 297 N 6.26 0.82 -0.02 0.43 2.43 -1.12 0.58 114.38 123.76 1ups h ARG 297 Ca -0.42 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 1ups h ARG 297 Cb 1.21 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1ups h ARG 297 CO 0.73 0.61 -0.03 0.37 -1.51 0.00 0.00 179.97 180.14 1ups h GLN 298 N 0.80 0.05 0.00 0.20 5.75 -1.79 -3.37 115.11 116.75 1ups h GLN 298 Ca 0.21 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 1ups h GLN 298 Cb 0.02 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.57 1ups h GLN 298 CO -0.04 0.61 -1.42 0.25 -2.65 0.00 0.00 178.83 175.59 1ups n THR 299 N -4.76 0.48 -1.12 2.39 -2.24 -1.22 -4.97 114.28 102.82 1ups n THR 299 Ca -0.08 -0.55 -0.04 0.00 -2.27 0.00 0.00 64.05 61.10 1ups n THR 299 Cb 0.31 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 1ups n THR 299 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ups n GLY 300 N 1.24 0.66 3.94 3.38 0.00 0.19 -5.01 105.19 109.60 1ups n GLY 300 Ca -0.03 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 1ups n GLY 300 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ups s LYS 301 N -1.76 3.45 -0.03 1.61 -0.14 -1.26 -4.78 119.74 116.83 1ups s LYS 301 Ca 0.00 -0.37 0.02 0.00 -1.36 0.00 0.00 55.97 54.26 1ups s LYS 301 Cb 0.00 -2.67 -0.03 0.00 -1.68 0.00 0.00 37.83 33.45 1ups s LYS 301 CO 0.00 0.13 -0.05 -0.06 -0.76 0.00 0.00 175.35 174.61 1ups s PHE 302 N -2.32 2.96 0.22 3.18 0.40 -0.15 -0.88 117.98 121.40 1ups s PHE 302 Ca 0.40 0.02 -0.30 0.00 -0.60 0.00 0.00 56.93 56.46 1ups s PHE 302 Cb -0.10 -1.67 -0.09 0.00 0.51 0.00 0.00 43.02 41.68 1ups s PHE 302 CO 0.36 0.38 1.16 -0.51 0.70 0.00 0.00 175.22 177.31 1ups s LEU 303 N -1.17 4.48 0.20 -0.37 1.43 -0.41 -1.66 118.68 121.19 1ups s LEU 303 Ca 0.15 2.26 -0.17 0.00 -1.03 0.00 0.00 54.13 55.34 1ups s LEU 303 Cb -0.11 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.52 1ups s LEU 303 CO 0.05 -0.29 0.52 -0.72 0.23 0.00 0.00 176.35 176.13 1ups s TYR 304 N -0.48 -0.08 -0.19 0.29 1.13 -0.53 -4.46 117.35 113.03 1ups s TYR 304 Ca 0.50 -0.27 -0.04 0.00 -1.41 0.00 0.00 57.07 55.85 1ups s TYR 304 Cb -0.32 0.37 -0.02 0.00 -1.10 0.00 0.00 41.96 40.89 1ups s TYR 304 CO 0.39 -0.92 -0.03 0.42 -2.51 0.00 0.00 175.55 172.90 1ups s ILE 305 N -3.88 3.67 0.07 -3.49 1.01 -1.06 -1.12 121.20 116.41 1ups s ILE 305 Ca 0.10 -0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.18 1ups s ILE 305 Cb -0.01 -2.64 -0.06 0.00 0.01 0.00 0.00 42.46 39.75 1ups s ILE 305 CO -0.02 0.45 0.51 -0.70 0.00 0.00 0.00 174.94 175.17 1ups s GLU 306 N 0.96 4.04 0.44 2.79 2.12 -1.26 -4.84 118.70 122.95 1ups s GLU 306 Ca 0.00 0.55 -0.25 0.00 0.36 0.00 0.00 54.97 55.63 1ups s GLU 306 Cb -0.15 -3.15 -0.08 0.00 0.26 0.00 0.00 34.13 31.01 1ups s GLU 306 CO 0.01 0.62 1.41 -1.21 -0.54 0.00 0.00 175.26 175.54 1ups s GLU 307 N -1.34 3.75 -1.49 4.30 2.02 -1.26 -2.70 118.70 121.99 1ups s GLU 307 Ca 0.30 2.38 -0.03 0.00 0.02 0.00 0.00 54.97 57.63 1ups s GLU 307 Cb -0.17 -2.69 0.01 0.00 0.10 0.00 0.00 34.13 31.38 1ups s GLU 307 CO 0.17 -0.75 0.31 0.09 0.02 0.00 0.00 175.26 175.10 1ups n ASN 308 N -0.11 -5.28 -3.99 -0.19 3.02 -1.26 -4.99 115.26 102.47 1ups n ASN 308 Ca 0.05 -0.14 -0.29 0.00 -0.03 0.00 0.00 54.58 54.17 1ups n ASN 308 Cb 0.42 -4.35 -0.17 0.00 -0.61 0.00 0.00 39.78 35.07 1ups n ASN 308 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ups s ASN 309 N -2.40 2.60 0.00 6.41 3.84 -1.10 -5.01 114.94 119.29 1ups s ASN 309 Ca 0.18 -0.46 0.26 0.00 0.21 0.00 0.00 52.86 53.04 1ups s ASN 309 Cb -0.08 -1.09 1.32 0.00 -0.55 0.00 0.00 41.25 40.84 1ups s ASN 309 CO 0.22 -0.08 1.88 0.47 -2.79 0.00 0.00 177.10 176.80 1ups n ASP 310 N 4.81 0.00 -4.97 -4.21 10.43 -1.26 -4.77 116.55 116.58 1ups n ASP 310 Ca -0.16 -0.11 -0.19 0.00 2.57 0.00 0.00 54.79 56.90 1ups n ASP 310 Cb 0.50 -0.28 0.03 0.00 1.84 0.00 0.00 41.12 43.21 1ups n ASP 310 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1ups s LYS 311 N -2.55 2.58 -0.23 -1.24 -0.14 -1.26 -4.44 119.74 112.46 1ups s LYS 311 Ca 0.25 -1.11 -0.08 0.00 -1.36 0.00 0.00 55.97 53.67 1ups s LYS 311 Cb 0.17 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.67 1ups s LYS 311 CO 0.39 -0.58 0.10 0.08 -0.76 0.00 0.00 175.35 174.58 1ups s VAL 312 N -2.59 4.83 0.54 3.17 1.01 -1.25 -4.67 120.40 121.43 1ups s VAL 312 Ca 0.57 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 1ups s VAL 312 Cb -0.09 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1ups s VAL 312 CO 0.36 0.37 0.85 -0.44 0.00 0.00 0.00 175.10 176.24 1ups s SER 313 N 1.06 5.89 0.09 3.32 0.01 -0.27 -0.53 113.70 123.26 1ups s SER 313 Ca 0.05 0.80 0.03 0.00 1.31 0.00 0.00 55.95 58.14 1ups s SER 313 Cb -0.14 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 1ups s SER 313 CO 0.04 -0.85 -0.09 -0.72 0.41 0.00 0.00 173.24 172.03 1ups s TYR 314 N -2.88 0.95 -1.20 2.43 -0.85 -0.92 -1.45 117.35 113.44 1ups s TYR 314 Ca 0.51 -0.69 0.00 0.00 -0.52 0.00 0.00 57.07 56.37 1ups s TYR 314 Cb -0.10 -0.53 0.00 0.00 0.38 0.00 0.00 41.96 41.70 1ups s TYR 314 CO 0.45 -0.05 0.00 0.41 -1.52 0.00 0.00 175.55 174.84 1ups n GLY 315 N 0.57 -1.39 3.78 5.49 0.00 -0.66 -4.83 105.19 108.14 1ups n GLY 315 Ca -0.16 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 1ups n GLY 315 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ups s ASP 316 N -2.13 5.80 0.12 1.61 -0.00 -1.26 -0.98 116.67 119.83 1ups s ASP 316 Ca 0.00 2.12 -0.31 0.00 -0.00 0.00 0.00 52.55 54.35 1ups s ASP 316 Cb 0.00 -2.57 -0.09 0.00 -0.00 0.00 0.00 42.92 40.26 1ups s ASP 316 CO 0.00 -1.16 1.52 -0.63 -0.00 0.00 0.00 175.17 174.90 1ups s ILE 317 N -1.85 2.97 0.28 0.77 1.09 -1.26 -4.93 121.20 118.26 1ups s ILE 317 Ca 0.71 0.64 0.05 0.00 -1.10 0.00 0.00 60.65 60.95 1ups s ILE 317 Cb -0.22 -3.41 -0.06 0.00 -1.06 0.00 0.00 42.46 37.71 1ups s ILE 317 CO 0.27 0.04 -0.00 0.42 -0.10 0.00 0.00 174.94 175.56 1ups s THR 318 N 1.48 1.31 0.36 2.92 -4.23 -1.26 -5.04 115.64 111.18 1ups s THR 318 Ca 0.69 -2.05 0.06 0.00 -1.18 0.00 0.00 61.69 59.21 1ups s THR 318 Cb -0.40 -2.52 0.16 0.00 1.34 0.00 0.00 72.50 71.07 1ups s THR 318 CO 0.31 -0.21 1.90 -0.07 -0.54 0.00 0.00 174.62 176.00 1ups h LEU 319 N 2.29 0.39 -0.44 4.79 3.38 -2.00 -1.23 115.31 122.49 1ups h LEU 319 Ca -0.40 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1ups h LEU 319 Cb 1.23 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1ups h LEU 319 CO 0.67 0.49 0.10 0.50 0.09 0.00 0.00 178.44 180.29 1ups h LYS 320 N 0.40 0.71 -0.02 1.13 3.64 -2.00 -3.23 116.57 117.20 1ups h LYS 320 Ca 0.09 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1ups h LYS 320 Cb 0.33 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1ups h LYS 320 CO 0.01 0.72 -0.13 0.27 -2.27 0.00 0.00 179.45 178.05 1ups n ASN 321 N -4.51 2.31 -0.13 4.20 0.23 -1.16 -4.66 115.26 111.53 1ups n ASN 321 Ca 0.00 -1.69 -0.04 0.00 -0.53 0.00 0.00 54.58 52.32 1ups n ASN 321 Cb 0.22 0.12 0.04 0.00 -2.08 0.00 0.00 39.78 38.08 1ups n ASN 321 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1ups h GLU 322 N 3.42 0.22 -0.97 -3.83 4.81 -1.24 -1.24 114.58 115.75 1ups h GLU 322 Ca 0.00 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1ups h GLU 322 Cb 0.80 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 1ups h GLU 322 CO 0.00 0.15 0.63 0.87 -0.73 0.00 0.00 179.01 179.93 1ups h LYS 323 N 0.23 1.29 0.00 1.92 1.57 -1.83 -2.55 116.57 117.20 1ups h LYS 323 Ca 0.21 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1ups h LYS 323 Cb 0.25 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1ups h LYS 323 CO -0.26 0.86 0.00 0.09 -0.57 0.00 0.00 179.45 179.57 1ups n ASN 324 N -4.39 0.00 -1.17 0.86 3.02 -0.57 -3.19 115.26 109.82 1ups n ASN 324 Ca 0.11 -0.29 0.11 0.00 -0.03 0.00 0.00 54.58 54.48 1ups n ASN 324 Cb 0.02 -0.23 0.25 0.00 -0.61 0.00 0.00 39.78 39.21 1ups n ASN 324 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ups n ALA 325 N -1.23 2.39 -2.78 5.41 0.00 -0.60 -2.55 120.51 121.15 1ups n ALA 325 Ca 0.15 -1.11 -0.35 0.00 0.00 0.00 0.00 53.44 52.13 1ups n ALA 325 Cb 0.20 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 1ups n ALA 325 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ups s LYS 326 N -1.25 3.43 0.09 0.00 1.02 -1.19 -4.42 119.74 117.41 1ups s LYS 326 Ca 0.41 -0.32 0.05 0.00 0.02 0.00 0.00 55.97 56.13 1ups s LYS 326 Cb 0.23 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 1ups s LYS 326 CO 0.31 0.58 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.60 1ups s TRP 327 N -0.51 1.23 0.19 3.18 0.52 0.45 -1.03 118.94 122.97 1ups s TRP 327 Ca 0.10 -0.52 0.09 0.00 0.02 0.00 0.00 56.10 55.79 1ups s TRP 327 Cb -0.12 -0.68 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 1ups s TRP 327 CO 0.02 0.07 -0.17 -1.54 0.02 0.00 0.00 176.95 175.35 1ups s SER 328 N -2.04 2.78 -0.10 2.95 1.04 0.14 0.01 113.70 118.47 1ups s SER 328 Ca 0.02 -0.94 -0.04 0.00 0.48 0.00 0.00 55.95 55.47 1ups s SER 328 Cb -0.08 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 1ups s SER 328 CO 0.02 -0.07 0.06 -0.54 0.98 0.00 0.00 173.24 173.69 1ups s LYS 329 N -3.17 3.21 0.15 4.02 1.02 -1.26 -1.26 119.74 122.45 1ups s LYS 329 Ca 0.20 -0.30 0.07 0.00 0.02 0.00 0.00 55.97 55.96 1ups s LYS 329 Cb -0.04 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1ups s LYS 329 CO 0.08 0.71 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.85 1ups s GLU 330 N -0.86 1.17 -0.03 1.68 2.02 -0.59 -4.79 118.70 117.31 1ups s GLU 330 Ca 0.13 -1.37 0.05 0.00 0.02 0.00 0.00 54.97 53.80 1ups s GLU 330 Cb -0.12 -1.10 -0.01 0.00 0.10 0.00 0.00 34.13 33.01 1ups s GLU 330 CO 0.03 0.21 -0.17 0.71 0.02 0.00 0.00 175.26 176.06 1ups s TYR 331 N -2.29 1.60 -0.05 1.61 2.02 -1.26 0.27 117.35 119.25 1ups s TYR 331 Ca 0.14 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.45 1ups s TYR 331 Cb -0.04 -1.06 0.04 0.00 -0.40 0.00 0.00 41.96 40.50 1ups s TYR 331 CO 0.05 -0.09 0.10 1.03 -1.57 0.00 0.00 175.55 175.07 1ups s ARG 332 N -0.20 0.02 -1.57 -0.62 3.00 -0.60 -4.89 118.95 114.09 1ups s ARG 332 Ca 0.02 0.34 0.00 0.00 0.00 0.00 0.00 55.73 56.09 1ups s ARG 332 Cb -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 34.95 34.60 1ups s ARG 332 CO 0.01 -0.21 0.00 -0.25 0.00 0.00 0.00 175.30 174.85 1ups n ASP 333 N 4.50 -4.65 0.00 0.23 10.43 -1.26 0.01 116.55 125.81 1ups n ASP 333 Ca -0.21 0.23 0.00 0.00 2.57 0.00 0.00 54.79 57.38 1ups n ASP 333 Cb 0.51 -4.04 0.00 0.00 1.84 0.00 0.00 41.12 39.43 1ups n ASP 333 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ups n GLY 334 N -0.64 1.29 3.94 0.44 0.00 -1.26 -5.05 105.19 103.91 1ups n GLY 334 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1ups n GLY 334 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ups s TYR 335 N -2.75 3.50 -0.15 1.61 1.51 0.10 -4.90 117.35 116.27 1ups s TYR 335 Ca 0.00 0.43 -0.06 0.00 -1.01 0.00 0.00 57.07 56.43 1ups s TYR 335 Cb 0.00 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1ups s TYR 335 CO 0.00 0.02 0.07 0.99 -1.11 0.00 0.00 175.55 175.52 1ups s THR 336 N -2.41 4.84 -0.03 -0.71 2.01 0.90 -1.55 115.64 118.70 1ups s THR 336 Ca 0.42 -0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.39 1ups s THR 336 Cb -0.10 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1ups s THR 336 CO 0.38 0.52 0.04 -0.76 -0.69 0.00 0.00 174.62 174.11 1ups s LEU 337 N -0.18 3.73 -0.31 4.42 1.02 0.14 -0.44 118.68 127.06 1ups s LEU 337 Ca 0.08 0.11 -0.05 0.00 0.02 0.00 0.00 54.13 54.29 1ups s LEU 337 Cb -0.12 -2.08 0.03 0.00 0.02 0.00 0.00 46.19 44.04 1ups s LEU 337 CO 0.01 0.30 0.05 -0.76 0.02 0.00 0.00 176.35 175.98 1ups s LEU 338 N -1.46 3.93 -0.15 1.79 1.43 -1.26 -1.54 118.68 121.41 1ups s LEU 338 Ca 0.19 -1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 52.24 1ups s LEU 338 Cb -0.12 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1ups s LEU 338 CO 0.10 -0.25 -0.02 -0.75 0.23 0.00 0.00 176.35 175.66 1ups s LYS 339 N 1.38 3.65 -0.06 1.70 2.20 -0.39 -1.47 119.74 126.76 1ups s LYS 339 Ca -0.01 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.81 1ups s LYS 339 Cb -0.18 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 1ups s LYS 339 CO 0.01 0.28 1.27 1.21 -0.36 0.00 0.00 175.35 177.76 1ups s ASN 340 N 0.26 6.97 0.42 1.43 3.84 0.23 -0.69 114.94 127.40 1ups s ASN 340 Ca -0.02 1.87 0.13 0.00 0.21 0.00 0.00 52.86 55.05 1ups s ASN 340 Cb -0.14 -2.55 0.91 0.00 -0.55 0.00 0.00 41.25 38.92 1ups s ASN 340 CO 0.03 -0.66 1.95 0.78 -2.79 0.00 0.00 177.10 176.40 1ups h ASN 341 N 7.75 0.04 0.16 -4.21 2.35 -1.38 0.10 115.58 120.39 1ups h ASN 341 Ca -0.34 -0.01 -0.34 0.00 -0.55 0.00 0.00 56.30 55.06 1ups h ASN 341 Cb 1.15 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1ups h ASN 341 CO 0.91 0.26 -1.77 -0.08 -1.65 0.00 0.00 177.43 175.10 1ups h GLU 342 N 0.04 0.34 0.00 0.81 4.57 -1.78 -3.38 114.58 115.18 1ups h GLU 342 Ca 0.01 -0.58 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 1ups h GLU 342 Cb 0.40 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1ups h GLU 342 CO 0.03 1.28 -1.04 0.25 -1.18 0.00 0.00 179.01 178.34 1ups n THR 343 N -3.62 0.09 -0.98 0.32 -2.24 -1.21 -4.97 114.28 101.67 1ups n THR 343 Ca -0.27 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1ups n THR 343 Cb 1.04 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1ups n THR 343 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ups n GLY 344 N 1.41 0.33 3.88 3.38 0.00 0.02 -4.95 105.19 109.25 1ups n GLY 344 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1ups n GLY 344 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ups s GLU 345 N -0.76 3.78 -0.10 1.61 2.02 -1.25 -4.72 118.70 119.29 1ups s GLU 345 Ca 0.00 0.26 -0.06 0.00 0.02 0.00 0.00 54.97 55.19 1ups s GLU 345 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 1ups s GLU 345 CO 0.00 0.25 0.14 0.71 0.02 0.00 0.00 175.26 176.38 1ups s TYR 346 N -1.95 3.57 0.08 1.61 2.02 -0.27 -0.60 117.35 121.81 1ups s TYR 346 Ca 0.47 0.48 -0.31 0.00 -0.37 0.00 0.00 57.07 57.35 1ups s TYR 346 Cb -0.11 -1.91 -0.06 0.00 -0.40 0.00 0.00 41.96 39.48 1ups s TYR 346 CO 0.24 0.71 1.21 -0.51 -1.57 0.00 0.00 175.55 175.63 1ups s LEU 347 N -1.20 4.38 0.25 -1.29 1.43 -0.54 -2.61 118.68 119.10 1ups s LEU 347 Ca 0.17 2.05 -0.14 0.00 -1.03 0.00 0.00 54.13 55.19 1ups s LEU 347 Cb -0.12 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 1ups s LEU 347 CO 0.07 -0.47 0.51 0.54 0.23 0.00 0.00 176.35 177.23 1ups s ASN 348 N 0.96 -0.11 -0.20 2.29 2.20 -0.41 -4.44 114.94 115.23 1ups s ASN 348 Ca 0.58 -0.88 0.17 0.00 -0.94 0.00 0.00 52.86 51.79 1ups s ASN 348 Cb -0.30 0.60 0.46 0.00 -2.00 0.00 0.00 41.25 40.01 1ups s ASN 348 CO 0.30 -1.16 1.17 2.30 -2.94 0.00 0.00 177.10 176.76 1ups n ILE 349 N -0.39 1.55 -0.36 0.54 -5.35 -0.88 -0.27 119.36 114.20 1ups n ILE 349 Ca -0.02 -2.93 0.10 0.00 -0.27 0.00 0.00 62.75 59.63 1ups n ILE 349 Cb 0.62 0.21 0.28 0.00 -1.74 0.00 0.00 39.64 39.01 1ups n ILE 349 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1ups h GLU 350 N 1.77 0.86 -0.01 6.28 4.57 -1.95 -1.25 114.58 124.86 1ups h GLU 350 Ca 0.01 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ups h GLU 350 Cb 1.42 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1ups h GLU 350 CO 0.28 0.57 -0.06 0.09 -1.18 0.00 0.00 179.01 178.71 1ups n ASN 351 N -4.69 1.20 -3.77 1.04 3.02 -1.26 -4.98 115.26 105.81 1ups n ASN 351 Ca 0.21 -1.26 -0.29 0.00 -0.03 0.00 0.00 54.58 53.21 1ups n ASN 351 Cb 0.46 0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.68 1ups n ASN 351 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ups n GLN 352 N -0.18 -2.13 0.00 3.52 6.02 -0.47 -4.90 117.38 119.23 1ups n GLN 352 Ca 0.18 0.44 0.12 0.00 -0.01 0.00 0.00 57.00 57.74 1ups n GLN 352 Cb 0.33 -4.29 0.27 0.00 1.02 0.00 0.00 30.24 27.56 1ups n GLN 352 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ups n THR 353 N -4.28 0.00 -0.01 5.09 -2.24 -1.26 -4.93 114.28 106.65 1ups n THR 353 Ca -0.18 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1ups n THR 353 Cb 0.63 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1ups n THR 353 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ups n GLY 354 N 1.36 1.31 3.30 3.38 0.00 -1.26 -5.04 105.19 108.24 1ups n GLY 354 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1ups n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ups s TYR 355 N -2.45 1.91 0.20 1.61 2.02 -1.26 -2.24 117.35 117.13 1ups s TYR 355 Ca 0.00 -0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 1ups s TYR 355 Cb 0.00 -1.06 -0.09 0.00 -0.40 0.00 0.00 41.96 40.41 1ups s TYR 355 CO 0.00 0.22 1.40 0.42 -1.57 0.00 0.00 175.55 176.02 1ups s ILE 356 N -1.09 2.96 0.34 2.71 -1.09 -0.73 -4.81 121.20 119.49 1ups s ILE 356 Ca 0.08 0.77 0.07 0.00 -2.23 0.00 0.00 60.65 59.34 1ups s ILE 356 Cb -0.10 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 1ups s ILE 356 CO 0.04 0.10 0.38 -1.61 -1.23 0.00 0.00 174.94 172.62 1ups s GLU 357 N 0.16 2.91 -0.02 2.79 2.02 0.63 -3.96 118.70 123.23 1ups s GLU 357 Ca 0.61 -1.16 0.01 0.00 0.02 0.00 0.00 54.97 54.45 1ups s GLU 357 Cb -0.39 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.21 1ups s GLU 357 CO 0.38 0.07 -0.04 -3.38 0.02 0.00 0.00 175.26 172.31 1ups s HIS 358 N -2.24 0.53 -0.07 1.61 -3.43 -1.26 -1.29 115.29 109.14 1ups s HIS 358 Ca 0.43 -0.11 -0.31 0.00 -0.80 0.00 0.00 55.06 54.27 1ups s HIS 358 Cb -0.08 -0.45 0.12 0.00 -1.43 0.00 0.00 32.58 30.74 1ups s HIS 358 CO 0.29 -0.09 1.03 0.20 -2.00 0.00 0.00 174.74 174.17 1ups s GLY 359 N 0.47 -0.38 -1.45 -1.38 0.00 -1.07 -4.93 107.32 98.57 1ups s GLY 359 Ca -0.05 1.19 -0.14 0.00 0.00 0.00 0.00 44.72 45.72 1ups s GLY 359 CO -0.00 0.39 2.33 0.28 0.00 0.00 0.00 173.10 176.09 1ups n LYS 360 N -0.20 2.92 -3.02 2.90 5.02 -1.26 -1.12 118.16 123.39 1ups n LYS 360 Ca -0.05 -2.50 -0.25 0.00 -2.02 0.00 0.00 58.31 53.50 1ups n LYS 360 Cb 0.60 -3.19 -0.00 0.00 -0.02 0.00 0.00 35.03 32.42 1ups n LYS 360 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ups s VAL 361 N 3.12 4.74 0.30 -0.18 -7.23 -1.26 -5.03 120.40 114.87 1ups s VAL 361 Ca 0.51 -0.24 -0.30 0.00 -1.81 0.00 0.00 61.98 60.14 1ups s VAL 361 Cb 0.15 -3.76 -0.11 0.00 0.56 0.00 0.00 36.38 33.21 1ups s VAL 361 CO -0.08 -0.60 1.57 -2.84 -0.31 0.00 0.00 175.10 172.85 1ups s PRO 362 N -4.53 4.13 0.50 4.82 0.02 -1.26 -4.89 135.00 133.79 1ups s PRO 362 Ca 0.45 2.56 0.34 0.00 0.02 0.00 0.00 61.00 64.37 1ups s PRO 362 Cb -0.10 -3.02 1.72 0.00 0.02 0.00 0.00 34.50 33.12 1ups s PRO 362 CO 0.40 -0.61 2.03 1.57 -0.33 0.00 0.00 177.00 180.06 1ups h LYS 363 N 4.62 0.00 0.00 5.54 -0.00 -1.99 -2.38 116.57 122.37 1ups h LYS 363 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 1ups h LYS 363 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 1ups h LYS 363 CO 0.77 0.00 0.00 0.25 -0.00 0.00 0.00 179.45 180.47 1ups n THR 364 N -2.76 0.56 -2.24 0.07 -2.24 -1.26 -4.82 114.28 101.59 1ups n THR 364 Ca -0.01 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1ups n THR 364 Cb 0.13 -0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 67.61 1ups n THR 364 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1ups s TRP 365 N -3.12 2.76 0.26 4.78 0.52 -0.90 -4.91 118.94 118.33 1ups s TRP 365 Ca 0.10 0.79 0.26 0.00 0.02 0.00 0.00 56.10 57.27 1ups s TRP 365 Cb 0.13 -3.66 1.16 0.00 -1.15 0.00 0.00 33.47 29.95 1ups s TRP 365 CO 0.52 -2.44 1.93 -1.49 0.02 0.00 0.00 176.95 175.49 1ups h TRP 366 N 8.09 0.00 0.00 -1.98 4.06 -1.90 -1.37 115.95 122.84 1ups h TRP 366 Ca -0.36 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.59 1ups h TRP 366 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1ups h TRP 366 CO 0.78 0.18 0.00 0.66 -3.56 0.00 0.00 178.44 176.49 1ups h SER 367 N 0.00 0.00 -0.45 -3.49 4.64 -1.94 -2.14 113.55 110.17 1ups h SER 367 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ups h SER 367 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1ups h SER 367 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1ups n ALA 368 N -1.90 2.40 -2.44 5.18 0.00 -0.52 -2.07 120.51 121.16 1ups n ALA 368 Ca -0.00 -1.06 -0.31 0.00 0.00 0.00 0.00 53.44 52.07 1ups n ALA 368 Cb 0.16 -0.84 -0.13 0.00 0.00 0.00 0.00 19.45 18.63 1ups n ALA 368 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ups s GLN 369 N -1.35 2.19 -0.01 0.00 -0.21 -0.81 -4.44 119.66 115.03 1ups s GLN 369 Ca 0.39 -0.90 0.01 0.00 0.02 0.00 0.00 55.36 54.89 1ups s GLN 369 Cb 0.22 -2.22 0.01 0.00 1.00 0.00 0.00 33.01 32.02 1ups s GLN 369 CO 0.31 0.56 -0.04 -1.58 -2.12 0.00 0.00 175.29 172.43 1ups s TRP 370 N -0.83 0.42 0.02 0.91 0.52 0.41 -0.83 118.94 119.55 1ups s TRP 370 Ca 0.13 -0.07 -0.30 0.00 0.02 0.00 0.00 56.10 55.88 1ups s TRP 370 Cb -0.10 -0.33 -0.04 0.00 -1.15 0.00 0.00 33.47 31.85 1ups s TRP 370 CO 0.03 -0.05 1.07 -1.12 0.02 0.00 0.00 176.95 176.90 1ups s SER 371 N 0.24 7.24 -0.48 2.95 0.01 0.11 -0.07 113.70 123.70 1ups s SER 371 Ca -0.02 1.79 -0.18 0.00 1.31 0.00 0.00 55.95 58.85 1ups s SER 371 Cb -0.06 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.66 1ups s SER 371 CO -0.00 -0.36 0.55 -0.70 0.41 0.00 0.00 173.24 173.14 1ups s GLU 372 N 1.12 3.10 -0.26 12.44 2.12 -1.26 -1.52 118.70 134.44 1ups s GLU 372 Ca 0.55 -0.94 -0.06 0.00 0.36 0.00 0.00 54.97 54.88 1ups s GLU 372 Cb -0.24 -4.08 -0.01 0.00 0.26 0.00 0.00 34.13 30.06 1ups s GLU 372 CO 0.28 -1.12 0.04 0.08 -0.54 0.00 0.00 175.26 174.00 1ups s VAL 373 N 2.37 3.91 0.03 3.70 1.01 0.60 -4.94 120.40 127.08 1ups s VAL 373 Ca 0.13 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1ups s VAL 373 Cb -0.20 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1ups s VAL 373 CO 0.11 0.28 1.24 -2.84 0.00 0.00 0.00 175.10 173.90 1ups s PRO 374 N 1.54 4.38 -0.10 2.72 0.02 -1.26 -0.28 135.00 142.02 1ups s PRO 374 Ca 0.05 1.80 -0.03 0.00 0.02 0.00 0.00 61.00 62.83 1ups s PRO 374 Cb -0.15 -3.43 0.05 0.00 0.02 0.00 0.00 34.50 30.99 1ups s PRO 374 CO 0.01 -0.37 0.13 0.08 -0.33 0.00 0.00 177.00 176.52 1ups s VAL 375 N 1.55 -0.20 -1.44 3.83 1.01 -0.24 -4.92 120.40 119.99 1ups s VAL 375 Ca 0.59 0.25 -0.09 0.00 0.00 0.00 0.00 61.98 62.73 1ups s VAL 375 Cb -0.29 -0.33 0.05 0.00 0.00 0.00 0.00 36.38 35.81 1ups s VAL 375 CO 0.27 0.06 0.68 -0.67 0.00 0.00 0.00 175.10 175.44 1ups n ASP 376 N 5.31 -4.89 0.00 3.32 2.03 -1.26 -0.13 116.55 120.93 1ups n ASP 376 Ca -0.05 -0.46 0.00 0.00 0.52 0.00 0.00 54.79 54.81 1ups n ASP 376 Cb 0.50 -3.96 0.00 0.00 -0.72 0.00 0.00 41.12 36.94 1ups n ASP 376 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ups n GLY 377 N -1.45 1.42 1.42 0.27 0.00 -1.26 -5.02 105.19 100.56 1ups n GLY 377 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1ups n GLY 377 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ups n TYR 378 N -2.00 -0.56 -4.93 1.61 4.02 0.81 -5.02 117.16 111.09 1ups n TYR 378 Ca 0.00 -0.91 -0.28 0.00 -0.01 0.00 0.00 57.90 56.71 1ups n TYR 378 Cb 0.00 -0.15 -0.16 0.00 -0.02 0.00 0.00 39.34 39.00 1ups n TYR 378 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1ups s THR 379 N -1.27 1.59 0.06 -0.72 2.01 0.22 -1.08 115.64 116.45 1ups s THR 379 Ca 0.07 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.32 1ups s THR 379 Cb -0.01 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1ups s THR 379 CO 0.05 0.45 -0.00 -0.13 -0.69 0.00 0.00 174.62 174.30 1ups s ARG 380 N 0.13 2.61 -0.25 4.92 0.52 0.62 -0.53 118.95 126.97 1ups s ARG 380 Ca -0.07 -0.77 -0.02 0.00 -0.52 0.00 0.00 55.73 54.35 1ups s ARG 380 Cb -0.13 -2.57 0.03 0.00 0.52 0.00 0.00 34.95 32.79 1ups s ARG 380 CO 0.04 0.57 -0.07 -0.06 0.02 0.00 0.00 175.30 175.80 1ups s PHE 381 N -1.23 3.06 -0.15 -0.53 0.40 -1.26 -0.30 117.98 117.97 1ups s PHE 381 Ca 0.24 -1.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.02 1ups s PHE 381 Cb -0.12 -2.05 -0.00 0.00 0.51 0.00 0.00 43.02 41.36 1ups s PHE 381 CO 0.16 -0.73 -0.16 0.08 0.70 0.00 0.00 175.22 175.27 1ups s VAL 382 N 1.32 2.63 0.45 -0.44 1.01 -0.58 -1.68 120.40 123.11 1ups s VAL 382 Ca 0.00 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 1ups s VAL 382 Cb -0.16 -2.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.04 1ups s VAL 382 CO -0.05 0.52 1.31 0.21 0.00 0.00 0.00 175.10 177.10 1ups s ASN 383 N 0.74 5.99 0.01 3.32 3.84 0.12 0.05 114.94 129.00 1ups s ASN 383 Ca -0.07 2.67 -0.22 0.00 0.21 0.00 0.00 52.86 55.45 1ups s ASN 383 Cb -0.16 -2.63 -0.18 0.00 -0.55 0.00 0.00 41.25 37.73 1ups s ASN 383 CO 0.01 -1.07 1.25 -0.09 -2.79 0.00 0.00 177.10 174.40 1ups h ARG 384 N 2.25 0.30 -0.53 0.43 2.43 -1.10 -3.08 114.38 115.08 1ups h ARG 384 Ca -0.50 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 58.38 1ups h ARG 384 Cb 1.26 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 1ups h ARG 384 CO 0.61 0.80 -0.03 2.35 -1.51 0.00 0.00 179.97 182.19 1ups h TRP 385 N -0.16 1.04 -2.96 2.20 7.01 -1.77 -3.35 115.95 117.96 1ups h TRP 385 Ca 0.00 -0.19 -0.62 0.00 2.11 0.00 0.00 58.89 60.19 1ups h TRP 385 Cb 0.80 -0.27 -0.41 0.00 -2.10 0.00 0.00 29.16 27.18 1ups h TRP 385 CO 0.11 0.96 -0.67 0.15 -2.79 0.00 0.00 178.44 176.21 1ups s LYS 386 N -4.97 2.02 0.00 2.65 -0.14 -1.25 -5.00 119.74 113.05 1ups s LYS 386 Ca -0.12 -2.93 0.14 0.00 -1.36 0.00 0.00 55.97 51.70 1ups s LYS 386 Cb 0.12 -2.93 0.84 0.00 -1.68 0.00 0.00 37.83 34.18 1ups s LYS 386 CO 0.84 -1.28 1.26 -0.35 -0.76 0.00 0.00 175.35 175.06 1ups n PRO 387 N 2.38 0.45 -0.02 -1.68 -0.04 -1.16 -1.19 135.00 133.73 1ups n PRO 387 Ca 0.19 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 1ups n PRO 387 Cb 0.37 -1.49 0.19 0.00 -0.04 0.00 0.00 33.50 32.53 1ups n PRO 387 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ups n ASN 388 N -0.99 2.76 -4.61 3.54 3.02 -1.26 -4.76 115.26 112.95 1ups n ASN 388 Ca 0.11 -1.91 -0.37 0.00 -0.03 0.00 0.00 54.58 52.38 1ups n ASN 388 Cb 0.05 -0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.09 1ups n ASN 388 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ups s MET 389 N -1.94 3.98 0.18 3.52 -1.94 -0.34 -4.22 119.30 118.54 1ups s MET 389 Ca 0.31 -0.31 0.09 0.00 -1.71 0.00 0.00 55.69 54.07 1ups s MET 389 Cb 0.20 -3.59 -0.04 0.00 2.01 0.00 0.00 34.83 33.41 1ups s MET 389 CO 0.31 -0.09 -0.09 -1.54 -0.01 0.00 0.00 175.02 173.60 1ups s SER 390 N 1.48 4.26 -0.05 3.03 1.04 -0.29 -0.71 113.70 122.46 1ups s SER 390 Ca 0.07 -0.58 -0.30 0.00 0.48 0.00 0.00 55.95 55.62 1ups s SER 390 Cb -0.15 -0.72 -0.02 0.00 0.10 0.00 0.00 66.02 65.22 1ups s SER 390 CO 0.08 0.10 1.06 -0.63 0.98 0.00 0.00 173.24 174.83 1ups s ILE 391 N -1.72 4.63 0.26 -1.02 1.01 -0.68 -1.74 121.20 121.95 1ups s ILE 391 Ca 0.25 1.90 -0.15 0.00 0.00 0.00 0.00 60.65 62.65 1ups s ILE 391 Cb -0.09 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1ups s ILE 391 CO 0.15 0.05 0.56 -1.38 0.00 0.00 0.00 174.94 174.33 1ups s HIS 392 N 1.71 0.20 -0.37 3.97 -3.43 -0.67 -4.50 115.29 112.20 1ups s HIS 392 Ca 0.52 -0.59 0.12 0.00 -0.80 0.00 0.00 55.06 54.31 1ups s HIS 392 Cb -0.21 0.36 0.44 0.00 -1.43 0.00 0.00 32.58 31.74 1ups s HIS 392 CO 0.22 -1.09 1.03 0.25 -2.00 0.00 0.00 174.74 173.16 1ups n THR 393 N -0.41 1.64 0.31 -5.38 -2.24 -0.87 -1.00 114.28 106.33 1ups n THR 393 Ca -0.02 -3.91 0.16 0.00 -2.27 0.00 0.00 64.05 58.01 1ups n THR 393 Cb 0.61 -0.21 0.69 0.00 -2.10 0.00 0.00 70.33 69.32 1ups n THR 393 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ups h GLU 394 N 2.79 0.00 0.00 -0.78 4.57 -1.94 -1.36 114.58 117.85 1ups h GLU 394 Ca 0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1ups h GLU 394 Cb 1.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1ups h GLU 394 CO 0.65 0.00 -0.69 0.43 -1.18 0.00 0.00 179.01 178.23 1ups n SER 395 N -2.77 0.65 -3.74 1.04 7.64 -1.26 -4.99 113.62 110.20 1ups n SER 395 Ca 0.00 -0.45 -0.22 0.00 1.01 0.00 0.00 58.87 59.21 1ups n SER 395 Cb 0.23 0.50 0.02 0.00 -1.01 0.00 0.00 64.21 63.96 1ups n SER 395 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ups n TYR 396 N -1.55 -1.87 1.29 1.43 4.02 -0.51 -4.90 117.16 115.07 1ups n TYR 396 Ca 0.05 0.80 0.13 0.00 -0.01 0.00 0.00 57.90 58.87 1ups n TYR 396 Cb 0.34 -4.22 0.37 0.00 -0.02 0.00 0.00 39.34 35.82 1ups n TYR 396 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ups n GLU 397 N -4.27 1.90 -0.26 -0.72 1.02 -1.26 -4.91 120.64 112.14 1ups n GLU 397 Ca -0.29 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.54 1ups n GLU 397 Cb 0.67 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1ups n GLU 397 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ups n GLY 398 N 1.24 1.00 3.21 0.62 0.00 -1.26 -5.03 105.19 104.97 1ups n GLY 398 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1ups n GLY 398 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ups s VAL 399 N -2.71 0.70 -0.04 1.61 -7.23 -1.26 -2.15 120.40 109.31 1ups s VAL 399 Ca 0.00 -1.97 -0.26 0.00 -1.81 0.00 0.00 61.98 57.95 1ups s VAL 399 Cb 0.00 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1ups s VAL 399 CO 0.00 -0.66 0.79 -0.22 -0.31 0.00 0.00 175.10 174.71 1ups s LEU 400 N -3.12 4.34 0.42 1.32 2.96 0.31 -4.84 118.68 120.08 1ups s LEU 400 Ca 0.19 1.35 0.07 0.00 -0.22 0.00 0.00 54.13 55.52 1ups s LEU 400 Cb 0.06 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.46 1ups s LEU 400 CO 0.00 -0.15 0.25 -1.10 -1.32 0.00 0.00 176.35 174.03 1ups s GLN 401 N 0.80 2.33 0.11 1.98 -0.21 -0.17 -1.78 119.66 122.72 1ups s GLN 401 Ca 0.42 -1.75 0.03 0.00 0.02 0.00 0.00 55.36 54.08 1ups s GLN 401 Cb -0.19 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1ups s GLN 401 CO 0.21 -0.16 -0.09 1.52 -2.12 0.00 0.00 175.29 174.65 1ups s TYR 402 N -2.56 1.08 -1.49 0.91 -0.85 -0.95 -1.67 117.35 111.81 1ups s TYR 402 Ca 0.43 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 56.23 1ups s TYR 402 Cb 0.01 -0.58 0.00 0.00 0.38 0.00 0.00 41.96 41.77 1ups s TYR 402 CO 0.24 -0.01 0.00 0.41 -1.52 0.00 0.00 175.55 174.67 1ups n GLY 403 N 0.16 -1.40 3.35 5.49 0.00 -0.71 -4.76 105.19 107.32 1ups n GLY 403 Ca -0.13 -0.99 -0.45 0.00 0.00 0.00 0.00 46.02 44.45 1ups n GLY 403 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ups s ASN 404 N -2.71 6.18 0.06 1.61 2.47 -1.26 -1.14 114.94 120.16 1ups s ASN 404 Ca 0.00 -1.55 0.03 0.00 0.42 0.00 0.00 52.86 51.76 1ups s ASN 404 Cb 0.00 -2.25 -0.03 0.00 -1.45 0.00 0.00 41.25 37.53 1ups s ASN 404 CO 0.00 -0.93 -0.09 0.68 -3.72 0.00 0.00 177.10 173.04 1ups s VAL 405 N 2.07 0.67 0.65 -5.21 -7.23 -1.26 -5.07 120.40 105.02 1ups s VAL 405 Ca 0.07 -1.28 -0.18 0.00 -1.81 0.00 0.00 61.98 58.78 1ups s VAL 405 Cb -0.26 -0.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 1ups s VAL 405 CO 0.05 -0.45 1.27 -2.84 -0.31 0.00 0.00 175.10 172.82 1ups s PRO 406 N -2.04 2.58 0.50 4.82 0.02 -1.26 -4.89 135.00 134.74 1ups s PRO 406 Ca -0.04 2.00 0.34 0.00 0.02 0.00 0.00 61.00 63.31 1ups s PRO 406 Cb -0.07 -1.86 1.72 0.00 0.02 0.00 0.00 34.50 34.31 1ups s PRO 406 CO -0.00 -1.55 2.02 -0.91 -0.33 0.00 0.00 177.00 176.23 1ups h ASN 407 N 0.53 0.00 0.58 2.53 2.35 -2.01 -2.35 115.58 117.21 1ups h ASN 407 Ca -0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 1ups h ASN 407 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1ups h ASN 407 CO 0.53 0.00 -0.19 0.35 -1.65 0.00 0.00 177.43 176.47 1ups n THR 408 N -2.75 0.00 -2.53 2.81 -2.24 -1.26 -4.84 114.28 103.47 1ups n THR 408 Ca -0.01 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 1ups n THR 408 Cb 0.12 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 1ups n THR 408 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ups s TYR 409 N -2.78 3.02 0.46 4.78 4.12 -0.89 -4.91 117.35 121.15 1ups s TYR 409 Ca 0.19 1.16 0.31 0.00 0.02 0.00 0.00 57.07 58.75 1ups s TYR 409 Cb 0.19 -3.54 1.66 0.00 -1.52 0.00 0.00 41.96 38.75 1ups s TYR 409 CO 0.56 -1.16 2.15 -1.49 0.02 0.00 0.00 175.55 175.62 1ups h TRP 410 N 8.15 0.00 0.00 2.71 4.06 -1.90 -0.21 115.95 128.76 1ups h TRP 410 Ca -0.23 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.72 1ups h TRP 410 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1ups h TRP 410 CO 0.81 0.07 0.00 0.25 -3.56 0.00 0.00 178.44 176.00 1ups n THR 411 N -3.56 1.10 -0.20 1.49 -2.24 -1.26 -2.02 114.28 107.59 1ups n THR 411 Ca -0.02 0.41 0.09 0.00 -2.27 0.00 0.00 64.05 62.26 1ups n THR 411 Cb 0.19 -1.33 0.24 0.00 -2.10 0.00 0.00 70.33 67.32 1ups n THR 411 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ups n SER 412 N -1.97 3.43 -4.46 3.42 3.41 -0.09 -2.05 113.62 115.31 1ups n SER 412 Ca 0.01 -1.98 -0.33 0.00 -0.26 0.00 0.00 58.87 56.31 1ups n SER 412 Cb 0.13 -0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 63.60 1ups n SER 412 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ups s GLN 413 N -1.04 2.94 0.04 4.33 -0.21 -0.86 -4.51 119.66 120.35 1ups s GLN 413 Ca 0.36 -0.65 0.05 0.00 0.02 0.00 0.00 55.36 55.14 1ups s GLN 413 Cb 0.19 -2.54 -0.02 0.00 1.00 0.00 0.00 33.01 31.64 1ups s GLN 413 CO 0.25 0.46 -0.15 -1.58 -2.12 0.00 0.00 175.29 172.15 1ups s TRP 414 N -0.28 1.34 -0.20 0.91 0.52 0.31 -0.92 118.94 120.62 1ups s TRP 414 Ca 0.03 -0.36 -0.02 0.00 0.02 0.00 0.00 56.10 55.77 1ups s TRP 414 Cb -0.13 -0.80 -0.00 0.00 -1.15 0.00 0.00 33.47 31.40 1ups s TRP 414 CO 0.03 0.05 -0.10 -1.14 0.02 0.00 0.00 176.95 175.81 1ups s GLN 415 N -1.17 3.26 -0.24 4.98 0.74 0.50 -0.61 119.66 127.13 1ups s GLN 415 Ca 0.03 -0.69 -0.19 0.00 0.05 0.00 0.00 55.36 54.55 1ups s GLN 415 Cb -0.08 -2.84 -0.02 0.00 1.10 0.00 0.00 33.01 31.17 1ups s GLN 415 CO 0.01 -0.16 0.57 -0.51 -0.55 0.00 0.00 175.29 174.66 1ups s LEU 416 N 1.31 4.09 -0.26 3.68 1.02 -1.26 -1.00 118.68 126.26 1ups s LEU 416 Ca 0.04 0.67 0.02 0.00 0.02 0.00 0.00 54.13 54.87 1ups s LEU 416 Cb -0.14 -2.78 0.05 0.00 0.02 0.00 0.00 46.19 43.35 1ups s LEU 416 CO -0.05 -0.30 -0.10 -0.63 0.02 0.00 0.00 176.35 175.29 1ups s ILE 417 N 2.20 2.30 0.29 -0.59 1.01 -0.02 -4.96 121.20 121.42 1ups s ILE 417 Ca 0.25 -1.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.08 1ups s ILE 417 Cb -0.16 -2.31 -0.12 0.00 0.01 0.00 0.00 42.46 39.88 1ups s ILE 417 CO 0.09 0.02 1.56 -2.65 0.00 0.00 0.00 174.94 173.96 1ups n PRO 418 N 4.48 2.59 -4.06 2.79 -0.02 -1.26 -0.50 135.00 139.02 1ups n PRO 418 Ca -0.15 0.92 -0.09 0.00 -2.02 0.00 0.00 63.50 62.16 1ups n PRO 418 Cb 0.43 -2.68 -0.11 0.00 -0.02 0.00 0.00 33.50 31.13 1ups n PRO 418 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ups s VAL 419 N -0.04 0.30 -2.00 -1.45 -7.23 -0.25 -4.85 120.40 104.88 1ups s VAL 419 Ca 0.64 -1.38 0.27 0.00 -1.81 0.00 0.00 61.98 59.71 1ups s VAL 419 Cb -0.52 -0.93 0.77 0.00 0.56 0.00 0.00 36.38 36.26 1ups s VAL 419 CO 0.49 -0.70 1.97 -0.62 -0.31 0.00 0.00 175.10 175.93