#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub2 n THR 22 N 0.00 0.00 -2.71 0.44 -1.04 -1.26 -3.77 114.28 105.95 1ub2 n THR 22 Ca 0.00 0.38 -0.03 0.00 -2.04 0.00 0.00 64.05 62.36 1ub2 n THR 22 Cb 0.00 -1.32 0.03 0.00 -1.82 0.00 0.00 70.33 67.21 1ub2 n THR 22 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ub2 s ALA 23 N -1.71 -3.76 -0.46 2.41 0.00 -1.26 -4.80 121.76 112.18 1ub2 s ALA 23 Ca 0.00 0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.35 1ub2 s ALA 23 Cb 0.00 -2.91 -0.07 0.00 0.00 0.00 0.00 23.12 20.14 1ub2 s ALA 23 CO 0.00 -2.44 0.39 0.39 0.00 0.00 0.00 175.76 174.10 1ub2 n GLU 24 N 2.76 3.91 -0.05 0.00 1.02 -1.25 -4.50 120.64 122.54 1ub2 n GLU 24 Ca 0.13 -0.11 -0.10 0.00 -0.02 0.00 0.00 57.16 57.06 1ub2 n GLU 24 Cb 0.62 -0.91 -0.03 0.00 -0.02 0.00 0.00 31.44 31.10 1ub2 n GLU 24 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1ub2 h TRP 25 N 0.19 0.23 -2.80 -0.32 4.06 -1.87 -3.34 115.95 112.10 1ub2 h TRP 25 Ca 0.00 0.01 -0.61 0.00 2.06 0.00 0.00 58.89 60.35 1ub2 h TRP 25 Cb 0.21 -0.07 -0.40 0.00 -1.00 0.00 0.00 29.16 27.89 1ub2 h TRP 25 CO 0.00 0.14 -0.73 -1.58 -3.56 0.00 0.00 178.44 172.70 1ub2 s TRP 26 N -6.18 2.58 -0.22 0.49 0.51 -1.26 -4.96 118.94 109.90 1ub2 s TRP 26 Ca -0.13 -2.93 0.26 0.00 -2.12 0.00 0.00 56.10 51.18 1ub2 s TRP 26 Cb 0.09 -2.00 1.21 0.00 -0.81 0.00 0.00 33.47 31.96 1ub2 s TRP 26 CO 0.69 -0.66 1.80 -1.00 -0.51 0.00 0.00 176.95 177.27 1ub2 h PRO 27 N 5.51 0.00 0.00 4.98 0.13 -1.84 -2.83 132.00 137.95 1ub2 h PRO 27 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1ub2 h PRO 27 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1ub2 h PRO 27 CO 0.58 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.71 1ub2 n LYS 28 N -2.45 0.25 -2.34 0.86 0.00 -1.26 -4.90 118.16 108.31 1ub2 n LYS 28 Ca 0.01 0.02 -0.37 0.00 -0.00 0.00 0.00 58.31 57.97 1ub2 n LYS 28 Cb 0.18 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 33.69 1ub2 n LYS 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ub2 s ALA 29 N -2.73 3.01 0.28 0.58 0.00 -1.07 -4.96 121.76 116.87 1ub2 s ALA 29 Ca 0.22 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 1ub2 s ALA 29 Cb 0.19 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.83 1ub2 s ALA 29 CO 0.46 -0.52 1.34 1.28 0.00 0.00 0.00 175.76 178.31 1ub2 n LEU 30 N -0.35 3.18 -4.02 0.00 4.77 -1.26 -4.86 117.00 114.46 1ub2 n LEU 30 Ca 0.06 1.17 -0.43 0.00 -0.03 0.00 0.00 56.01 56.78 1ub2 n LEU 30 Cb 0.48 -1.44 0.01 0.00 -2.33 0.00 0.00 43.42 40.14 1ub2 n LEU 30 CO 0.47 -0.55 1.55 -3.20 -1.33 0.00 0.00 177.39 174.33 1ub2 n ASN 31 N 1.58 5.55 0.30 -1.43 4.05 -1.26 -4.80 115.26 119.25 1ub2 n ASN 31 Ca 0.09 -3.18 0.17 0.00 0.45 0.00 0.00 54.58 52.11 1ub2 n ASN 31 Cb 0.33 -1.42 0.95 0.00 1.23 0.00 0.00 39.78 40.88 1ub2 n ASN 31 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1ub2 h LEU 32 N 7.26 0.00 -2.71 1.20 4.07 -2.01 -2.77 115.31 120.35 1ub2 h LEU 32 Ca 0.31 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1ub2 h LEU 32 Cb 0.67 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.41 1ub2 h LEU 32 CO 1.45 0.03 0.08 0.44 -1.08 0.00 0.00 178.44 179.35 1ub2 h ASP 33 N 0.00 0.00 0.78 -0.43 3.32 -1.98 -1.34 116.42 116.77 1ub2 h ASP 33 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ub2 h ASP 33 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ub2 h ASP 33 CO 0.00 0.00 0.00 0.16 -1.72 0.00 0.00 179.24 177.68 1ub2 h ILE 34 N 0.00 0.00 -0.01 0.35 3.07 -1.85 -2.32 117.51 116.76 1ub2 h ILE 34 Ca 0.01 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.15 1ub2 h ILE 34 Cb 0.16 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 37.74 1ub2 h ILE 34 CO -0.00 0.00 -0.34 0.18 -1.05 0.00 0.00 178.15 176.94 1ub2 n LEU 35 N -2.33 0.84 -1.01 0.16 4.77 -0.50 -4.17 117.00 114.76 1ub2 n LEU 35 Ca 0.02 -0.17 0.01 0.00 -0.03 0.00 0.00 56.01 55.84 1ub2 n LEU 35 Cb 0.24 -0.17 0.15 0.00 -2.33 0.00 0.00 43.42 41.32 1ub2 n LEU 35 CO 0.21 0.17 0.28 -1.54 -1.33 0.00 0.00 177.39 175.18 1ub2 n SER 36 N -0.94 2.17 -4.91 -1.43 3.41 -0.87 -4.39 113.62 106.65 1ub2 n SER 36 Ca 0.10 -3.60 -0.28 0.00 -0.26 0.00 0.00 58.87 54.83 1ub2 n SER 36 Cb 0.34 -0.47 0.07 0.00 -0.26 0.00 0.00 64.21 63.90 1ub2 n SER 36 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ub2 s GLN 37 N -2.94 2.17 -1.56 4.33 -0.21 -1.24 -4.40 119.66 115.81 1ub2 s GLN 37 Ca 0.39 -0.03 -0.08 0.00 0.02 0.00 0.00 55.36 55.66 1ub2 s GLN 37 Cb 0.38 -2.07 0.07 0.00 1.00 0.00 0.00 33.01 32.39 1ub2 s GLN 37 CO -0.06 -1.36 0.50 0.72 -2.12 0.00 0.00 175.29 172.97 1ub2 n HIS 38 N -3.09 -1.61 -2.69 0.91 8.25 -1.26 -4.96 115.22 110.77 1ub2 n HIS 38 Ca 0.08 0.74 -0.22 0.00 -0.26 0.00 0.00 57.72 58.06 1ub2 n HIS 38 Cb 0.60 -3.23 0.09 0.00 1.12 0.00 0.00 29.99 28.57 1ub2 n HIS 38 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ub2 s ASP 39 N -3.92 4.63 0.23 0.41 -1.08 -1.26 -4.89 116.67 110.78 1ub2 s ASP 39 Ca 0.31 -0.42 -0.10 0.00 -0.52 0.00 0.00 52.55 51.82 1ub2 s ASP 39 Cb -0.17 -0.06 0.34 0.00 -1.46 0.00 0.00 42.92 41.57 1ub2 s ASP 39 CO 0.93 -1.65 1.64 0.03 0.52 0.00 0.00 175.17 176.63 1ub2 h ARG 40 N -0.29 0.08 0.00 4.34 2.47 -1.92 -1.77 114.38 117.28 1ub2 h ARG 40 Ca -0.36 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 1ub2 h ARG 40 Cb 1.27 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1ub2 h ARG 40 CO 0.42 0.05 0.00 0.87 0.56 0.00 0.00 179.97 181.87 1ub2 h LYS 41 N 0.08 0.00 0.00 0.04 1.57 -2.01 -2.70 116.57 113.55 1ub2 h LYS 41 Ca 0.36 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1ub2 h LYS 41 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1ub2 h LYS 41 CO -0.62 0.00 -1.86 0.25 -0.57 0.00 0.00 179.45 176.65 1ub2 n THR 42 N -2.49 0.12 -2.82 -0.16 -2.24 -0.72 -4.90 114.28 101.08 1ub2 n THR 42 Ca -0.00 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1ub2 n THR 42 Cb 0.14 0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 1ub2 n THR 42 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ub2 s ASN 43 N -4.18 6.80 0.00 3.42 2.47 -0.91 -4.87 114.94 117.68 1ub2 s ASN 43 Ca -0.07 0.88 0.30 0.00 0.42 0.00 0.00 52.86 54.40 1ub2 s ASN 43 Cb 0.11 -2.46 1.48 0.00 -1.45 0.00 0.00 41.25 38.93 1ub2 s ASN 43 CO 0.74 -0.70 2.02 -0.81 -3.72 0.00 0.00 177.10 174.64 1ub2 n PRO 44 N 6.41 0.53 -3.22 0.43 -0.04 -1.26 -4.87 135.00 132.97 1ub2 n PRO 44 Ca 0.07 -0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.17 1ub2 n PRO 44 Cb 0.48 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1ub2 n PRO 44 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1ub2 s MET 45 N -2.51 3.79 0.88 0.54 -1.94 -1.26 -5.05 119.30 113.75 1ub2 s MET 45 Ca 0.30 0.32 -0.11 0.00 -1.71 0.00 0.00 55.69 54.49 1ub2 s MET 45 Cb 0.20 -2.55 0.12 0.00 2.01 0.00 0.00 34.83 34.61 1ub2 s MET 45 CO 0.46 0.19 1.14 0.41 -0.01 0.00 0.00 175.02 177.21 1ub2 n GLY 46 N -0.63 -0.29 0.11 -0.03 0.00 -1.26 -4.89 105.19 98.20 1ub2 n GLY 46 Ca 0.01 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.51 1ub2 n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ub2 n PRO 47 N -3.79 0.17 0.00 1.61 -0.04 -1.26 -2.56 135.00 129.13 1ub2 n PRO 47 Ca 0.12 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 64.07 1ub2 n PRO 47 Cb 0.51 -1.81 -0.02 0.00 -0.04 0.00 0.00 33.50 32.14 1ub2 n PRO 47 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ub2 n ASP 48 N -2.13 1.80 -4.63 3.54 8.00 -1.26 -4.94 116.55 116.92 1ub2 n ASP 48 Ca 0.03 -1.39 -0.49 0.00 0.71 0.00 0.00 54.79 53.65 1ub2 n ASP 48 Cb 0.24 0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 41.88 1ub2 n ASP 48 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1ub2 n PHE 49 N -0.35 1.91 -3.68 1.24 7.35 -1.06 -4.95 117.46 117.91 1ub2 n PHE 49 Ca 0.08 0.45 -0.29 0.00 -0.76 0.00 0.00 57.45 56.93 1ub2 n PHE 49 Cb 0.44 -2.44 -0.15 0.00 0.35 0.00 0.00 39.48 37.67 1ub2 n PHE 49 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1ub2 s ASN 50 N 0.67 3.59 0.19 -2.13 2.47 -1.26 -5.00 114.94 113.48 1ub2 s ASN 50 Ca 0.81 -1.32 -0.11 0.00 0.42 0.00 0.00 52.86 52.65 1ub2 s ASN 50 Cb -0.80 -0.66 0.20 0.00 -1.45 0.00 0.00 41.25 38.54 1ub2 s ASN 50 CO 0.43 -0.39 1.77 0.22 -3.72 0.00 0.00 177.10 175.40 1ub2 h TYR 51 N 8.21 0.44 -0.97 0.43 3.20 -1.92 -2.40 116.97 123.95 1ub2 h TYR 51 Ca -0.16 0.02 0.20 0.00 3.14 0.00 0.00 58.73 61.93 1ub2 h TYR 51 Cb 1.04 -0.11 -0.11 0.00 1.54 0.00 0.00 36.73 39.09 1ub2 h TYR 51 CO 0.32 0.17 0.56 1.96 -1.64 0.00 0.00 178.16 179.53 1ub2 h GLN 52 N 0.46 0.66 0.00 1.82 7.50 -1.95 0.40 115.11 123.99 1ub2 h GLN 52 Ca 0.26 -0.04 -0.09 0.00 0.50 0.00 0.00 58.65 59.28 1ub2 h GLN 52 Cb 0.24 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.61 1ub2 h GLN 52 CO -0.22 0.44 -0.46 1.05 -1.50 0.00 0.00 178.83 178.13 1ub2 h GLU 53 N 0.68 0.00 0.08 1.46 4.11 -1.89 -2.94 114.58 116.07 1ub2 h GLU 53 Ca 0.57 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.74 1ub2 h GLU 53 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1ub2 h GLU 53 CO -0.41 0.39 -1.27 0.93 0.07 0.00 0.00 179.01 178.72 1ub2 h GLU 54 N 0.00 0.16 0.00 1.06 4.39 -0.49 -3.27 114.58 116.42 1ub2 h GLU 54 Ca -0.01 -0.27 -0.08 0.00 0.34 0.00 0.00 59.36 59.34 1ub2 h GLU 54 Cb 1.32 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.06 1ub2 h GLU 54 CO 0.05 1.07 -0.39 -0.24 -1.16 0.00 0.00 179.01 178.34 1ub2 h VAL 55 N 0.04 0.79 0.00 3.13 3.04 -0.39 -2.40 116.25 120.47 1ub2 h VAL 55 Ca -0.13 -1.69 -0.01 0.00 -1.01 0.00 0.00 66.70 63.86 1ub2 h VAL 55 Cb 1.92 2.08 -0.00 0.00 -2.01 0.00 0.00 31.29 33.28 1ub2 h VAL 55 CO 0.16 0.38 -0.03 1.56 -1.01 0.00 0.00 177.57 178.63 1ub2 h GLN 56 N 0.00 0.00 -0.01 4.17 4.20 -1.57 -1.23 115.11 120.67 1ub2 h GLN 56 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ub2 h GLN 56 Cb 1.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1ub2 h GLN 56 CO 0.05 0.03 -0.42 1.63 -0.67 0.00 0.00 178.83 179.45 1ub2 n LYS 57 N -3.22 0.62 -1.84 1.46 5.02 -0.91 -4.96 118.16 114.34 1ub2 n LYS 57 Ca -0.01 -0.41 -0.39 0.00 -2.02 0.00 0.00 58.31 55.47 1ub2 n LYS 57 Cb 0.19 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.73 1ub2 n LYS 57 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1ub2 s LEU 58 N -2.66 3.99 -1.26 -0.35 2.96 -0.47 -4.90 118.68 115.99 1ub2 s LEU 58 Ca 0.19 2.79 -0.11 0.00 -0.22 0.00 0.00 54.13 56.77 1ub2 s LEU 58 Cb 0.18 -4.11 0.16 0.00 0.50 0.00 0.00 46.19 42.93 1ub2 s LEU 58 CO 0.60 -1.32 1.71 -0.67 -1.32 0.00 0.00 176.35 175.36 1ub2 n ASP 59 N -0.58 5.11 0.24 3.68 4.64 -1.26 -4.82 116.55 123.56 1ub2 n ASP 59 Ca 0.08 -3.05 0.10 0.00 -1.38 0.00 0.00 54.79 50.54 1ub2 n ASP 59 Cb 0.44 -1.52 0.35 0.00 -1.04 0.00 0.00 41.12 39.35 1ub2 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ub2 h ALA 60 N 6.32 1.96 0.00 -1.67 0.00 -1.93 -0.05 119.26 123.89 1ub2 h ALA 60 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1ub2 h ALA 60 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ub2 h ALA 60 CO 1.48 -0.89 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1ub2 n ALA 61 N -1.78 2.34 1.46 0.00 0.00 -1.26 -1.52 120.51 119.74 1ub2 n ALA 61 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1ub2 n ALA 61 Cb 0.87 -1.22 0.62 0.00 0.00 0.00 0.00 19.45 19.72 1ub2 n ALA 61 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1ub2 n LEU 62 N 1.18 0.57 0.02 0.00 -0.00 -0.03 -3.42 117.00 115.32 1ub2 n LEU 62 Ca 0.00 -0.06 0.03 0.00 -0.00 0.00 0.00 56.01 55.98 1ub2 n LEU 62 Cb 0.25 -0.14 0.40 0.00 -0.00 0.00 0.00 43.42 43.93 1ub2 n LEU 62 CO 0.00 0.10 1.08 0.11 -0.00 0.00 0.00 177.39 178.68 1ub2 h LYS 63 N 0.74 0.49 -0.65 1.47 1.57 -1.55 -2.02 116.57 116.62 1ub2 h LYS 63 Ca 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1ub2 h LYS 63 Cb 0.35 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1ub2 h LYS 63 CO 0.00 0.39 0.29 1.96 -0.57 0.00 0.00 179.45 181.52 1ub2 h GLN 64 N 0.49 0.95 -0.45 3.15 1.08 -1.85 -1.05 115.11 117.43 1ub2 h GLN 64 Ca 0.13 -0.15 -0.12 0.00 -1.45 0.00 0.00 58.65 57.05 1ub2 h GLN 64 Cb 0.07 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1ub2 h GLN 64 CO -0.02 0.77 -0.19 -0.44 -0.95 0.00 0.00 178.83 178.01 1ub2 h ASP 65 N 0.90 0.94 -0.45 1.46 3.45 -1.65 -1.08 116.42 119.98 1ub2 h ASP 65 Ca 0.22 -0.39 -0.05 0.00 0.43 0.00 0.00 57.03 57.23 1ub2 h ASP 65 Cb 0.16 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 1ub2 h ASP 65 CO -0.02 1.12 0.07 0.25 -1.57 0.00 0.00 179.24 179.09 1ub2 h LEU 66 N 0.76 0.72 -0.95 1.55 5.85 -1.37 -0.54 115.31 121.34 1ub2 h LEU 66 Ca 0.10 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1ub2 h LEU 66 Cb 0.75 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1ub2 h LEU 66 CO 0.06 0.80 0.19 -0.61 -0.34 0.00 0.00 178.44 178.54 1ub2 h GLN 67 N 0.62 0.96 -0.13 1.25 4.15 -1.09 -2.47 115.11 118.39 1ub2 h GLN 67 Ca 0.14 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.26 1ub2 h GLN 67 Cb 0.39 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1ub2 h GLN 67 CO 0.01 0.83 -0.39 0.00 -1.93 0.00 0.00 178.83 177.35 1ub2 h ALA 68 N 1.28 1.09 -0.69 3.38 0.00 -0.81 -2.77 119.26 120.74 1ub2 h ALA 68 Ca 0.21 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ub2 h ALA 68 Cb 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1ub2 h ALA 68 CO -0.01 0.59 0.46 1.25 0.00 0.00 0.00 179.25 181.54 1ub2 h LEU 69 N 0.25 0.79 -1.61 0.00 5.85 -0.63 -2.13 115.31 117.82 1ub2 h LEU 69 Ca 0.02 -0.02 0.23 0.00 0.84 0.00 0.00 57.88 58.95 1ub2 h LEU 69 Cb 0.80 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1ub2 h LEU 69 CO 0.06 0.57 0.63 0.24 -0.34 0.00 0.00 178.44 179.60 1ub2 h MET 70 N 0.93 0.29 -0.18 1.25 2.86 -1.33 -0.65 114.93 118.10 1ub2 h MET 70 Ca 0.25 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.83 1ub2 h MET 70 Cb -0.10 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 1ub2 h MET 70 CO -0.06 0.19 -0.06 0.25 1.06 0.00 0.00 176.91 178.29 1ub2 n THR 71 N -4.46 2.23 -3.23 2.22 -2.24 -0.82 -0.92 114.28 107.05 1ub2 n THR 71 Ca 0.20 -2.32 -0.35 0.00 -2.27 0.00 0.00 64.05 59.32 1ub2 n THR 71 Cb 0.80 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 1ub2 n THR 71 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ub2 n ASP 72 N -0.97 5.05 -4.71 3.42 2.03 -0.25 -4.95 116.55 116.16 1ub2 n ASP 72 Ca 0.22 -3.42 -0.43 0.00 0.52 0.00 0.00 54.79 51.68 1ub2 n ASP 72 Cb 0.84 -0.97 -0.02 0.00 -0.72 0.00 0.00 41.12 40.24 1ub2 n ASP 72 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1ub2 n SER 73 N 1.13 3.47 -4.57 1.67 2.88 -1.26 -4.96 113.62 111.97 1ub2 n SER 73 Ca 0.28 1.13 -0.34 0.00 -1.33 0.00 0.00 58.87 58.61 1ub2 n SER 73 Cb 0.37 -1.53 -0.11 0.00 -0.75 0.00 0.00 64.21 62.19 1ub2 n SER 73 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1ub2 s GLN 74 N -0.23 3.11 0.25 -1.46 -1.52 -1.26 -4.94 119.66 113.61 1ub2 s GLN 74 Ca 0.67 -0.51 -0.04 0.00 -1.95 0.00 0.00 55.36 53.54 1ub2 s GLN 74 Cb -0.56 -2.74 0.47 0.00 -0.22 0.00 0.00 33.01 29.96 1ub2 s GLN 74 CO 0.47 0.53 1.74 0.38 -0.25 0.00 0.00 175.29 178.15 1ub2 h ASP 75 N 5.72 0.33 0.46 5.90 -0.00 -1.98 -0.64 116.42 126.21 1ub2 h ASP 75 Ca -0.43 0.10 0.00 0.00 -0.00 0.00 0.00 57.03 56.70 1ub2 h ASP 75 Cb 1.18 0.07 0.00 0.00 -0.00 0.00 0.00 39.33 40.58 1ub2 h ASP 75 CO 0.56 0.13 0.00 -2.67 -0.00 0.00 0.00 179.24 177.26 1ub2 n TRP 76 N -4.97 0.00 -2.73 4.15 4.27 -1.26 -3.97 117.44 112.93 1ub2 n TRP 76 Ca 0.15 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.69 1ub2 n TRP 76 Cb 0.41 -0.47 0.05 0.00 -1.36 0.00 0.00 31.31 29.95 1ub2 n TRP 76 CO 0.00 0.00 0.00 1.87 -2.29 0.00 0.00 177.69 177.27 1ub2 n TRP 77 N -1.47 -2.54 -1.60 -2.67 -0.00 -0.71 -5.02 117.44 103.43 1ub2 n TRP 77 Ca 0.04 -1.41 -0.41 0.00 -0.00 0.00 0.00 57.50 55.72 1ub2 n TRP 77 Cb 0.16 1.42 0.01 0.00 -0.00 0.00 0.00 31.31 32.90 1ub2 n TRP 77 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1ub2 n PRO 78 N 1.72 1.26 -2.66 5.87 -0.04 -0.33 -4.45 135.00 136.37 1ub2 n PRO 78 Ca 0.08 0.45 -0.41 0.00 -0.04 0.00 0.00 63.50 63.58 1ub2 n PRO 78 Cb 0.65 -1.99 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 1ub2 n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ub2 s ALA 79 N -1.29 3.30 0.10 0.55 0.00 -1.26 -4.67 121.76 118.49 1ub2 s ALA 79 Ca 0.63 0.66 -0.31 0.00 0.00 0.00 0.00 51.96 52.94 1ub2 s ALA 79 Cb -0.56 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.17 1ub2 s ALA 79 CO 0.57 -0.06 1.68 -0.51 0.00 0.00 0.00 175.76 177.44 1ub2 s ASP 80 N -0.17 6.55 -1.51 0.00 1.01 -1.25 -1.08 116.67 120.23 1ub2 s ASP 80 Ca 0.47 2.58 0.00 0.00 0.71 0.00 0.00 52.55 56.31 1ub2 s ASP 80 Cb -0.26 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.10 1ub2 s ASP 80 CO 0.32 -0.91 0.00 0.79 0.21 0.00 0.00 175.17 175.58 1ub2 n TRP 81 N 5.33 -0.63 -1.57 4.23 8.01 -0.50 -0.45 117.44 131.85 1ub2 n TRP 81 Ca 0.16 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.26 1ub2 n TRP 81 Cb 0.39 -2.94 -0.03 0.00 -2.01 0.00 0.00 31.31 26.72 1ub2 n TRP 81 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ub2 n GLY 82 N -0.50 0.70 2.69 6.99 0.00 -0.24 -5.01 105.19 109.82 1ub2 n GLY 82 Ca -0.16 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 1ub2 n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ub2 s HIS 83 N -2.37 0.03 -1.91 1.61 5.04 0.40 -4.28 115.29 113.82 1ub2 s HIS 83 Ca 0.00 0.16 0.31 0.00 -1.54 0.00 0.00 55.06 53.99 1ub2 s HIS 83 Cb 0.00 -0.49 1.69 0.00 0.04 0.00 0.00 32.58 33.82 1ub2 s HIS 83 CO 0.00 -0.32 2.12 0.66 -2.34 0.00 0.00 174.74 174.86 1ub2 n TYR 84 N 5.30 0.00 -0.19 3.88 4.01 -0.10 -3.90 117.16 126.16 1ub2 n TYR 84 Ca -0.05 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.68 1ub2 n TYR 84 Cb 0.50 -0.07 0.05 0.00 -0.31 0.00 0.00 39.34 39.50 1ub2 n TYR 84 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ub2 h GLY 85 N 4.98 0.39 0.72 2.72 0.00 -1.92 0.24 103.07 110.20 1ub2 h GLY 85 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.56 1ub2 h GLY 85 CO 0.00 -0.22 0.07 -1.33 0.00 0.00 0.00 176.54 175.06 1ub2 h GLY 86 N -0.01 0.32 0.98 4.60 0.00 -1.88 0.14 103.07 107.23 1ub2 h GLY 86 Ca 0.27 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.58 1ub2 h GLY 86 CO -0.59 0.01 0.30 -2.00 0.00 0.00 0.00 176.54 174.26 1ub2 h LEU 87 N 0.18 0.52 -0.80 3.11 5.85 -1.58 -1.95 115.31 120.65 1ub2 h LEU 87 Ca 0.12 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1ub2 h LEU 87 Cb 0.11 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1ub2 h LEU 87 CO -0.15 0.37 -0.13 0.24 -0.34 0.00 0.00 178.44 178.43 1ub2 h MET 88 N 0.61 0.76 -0.61 1.25 2.86 -0.16 -1.57 114.93 118.07 1ub2 h MET 88 Ca 0.17 -0.26 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 1ub2 h MET 88 Cb -0.06 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1ub2 h MET 88 CO -0.05 0.86 0.01 0.82 1.06 0.00 0.00 176.91 179.62 1ub2 h ILE 89 N 0.69 1.26 -0.35 -1.22 2.04 -0.51 -1.95 117.51 117.47 1ub2 h ILE 89 Ca 0.11 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.78 1ub2 h ILE 89 Cb 0.61 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1ub2 h ILE 89 CO 0.04 0.41 -0.04 -0.09 0.00 0.00 0.00 178.15 178.48 1ub2 h ARG 90 N 0.97 0.56 0.60 2.37 2.43 -1.06 0.68 114.38 120.92 1ub2 h ARG 90 Ca 0.18 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1ub2 h ARG 90 Cb 0.54 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1ub2 h ARG 90 CO 0.03 0.61 -0.36 1.25 -1.51 0.00 0.00 179.97 179.98 1ub2 h LEU 91 N 0.53 -0.91 -0.37 3.80 6.46 -0.83 0.71 115.31 124.70 1ub2 h LEU 91 Ca 0.11 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1ub2 h LEU 91 Cb 0.39 0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 1ub2 h LEU 91 CO 0.02 -0.57 0.18 0.74 -0.62 0.00 0.00 178.44 178.19 1ub2 h THR 92 N -0.91 1.16 -0.22 1.05 2.02 -1.13 -0.87 112.91 114.01 1ub2 h THR 92 Ca -0.07 -0.46 0.05 0.00 0.77 0.00 0.00 66.41 66.69 1ub2 h THR 92 Cb 0.74 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 1ub2 h THR 92 CO 0.08 0.17 -0.07 -0.25 0.37 0.00 0.00 175.52 175.82 1ub2 h TRP 93 N 0.47 -0.17 -0.19 3.16 -0.00 -0.76 -0.24 115.95 118.21 1ub2 h TRP 93 Ca 0.13 0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 58.96 1ub2 h TRP 93 Cb 0.11 0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.36 1ub2 h TRP 93 CO -0.02 -0.12 -0.23 0.45 -0.00 0.00 0.00 178.44 178.52 1ub2 h HIS 94 N -0.03 0.38 -0.50 2.65 3.86 -0.63 0.94 115.15 121.82 1ub2 h HIS 94 Ca 0.11 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 1ub2 h HIS 94 Cb 0.20 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1ub2 h HIS 94 CO -0.25 0.56 0.01 0.00 0.86 0.00 0.00 177.93 179.11 1ub2 h ALA 95 N 1.45 1.08 0.17 2.45 0.00 -0.56 -3.10 119.26 120.75 1ub2 h ALA 95 Ca 0.05 -0.27 -0.31 0.00 0.00 0.00 0.00 54.91 54.38 1ub2 h ALA 95 Cb 0.58 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ub2 h ALA 95 CO 0.04 0.58 -1.49 0.00 0.00 0.00 0.00 179.25 178.38 1ub2 h ALA 96 N 1.24 0.11 0.00 0.00 0.00 -0.52 -2.60 119.26 117.49 1ub2 h ALA 96 Ca 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1ub2 h ALA 96 Cb 0.45 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ub2 h ALA 96 CO 0.02 0.97 0.00 0.41 0.00 0.00 0.00 179.25 180.65 1ub2 n GLY 97 N 1.68 -0.09 0.23 0.00 0.00 0.32 -2.63 105.19 104.69 1ub2 n GLY 97 Ca -0.16 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1ub2 n GLY 97 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ub2 n THR 98 N -1.04 0.00 -2.12 2.61 5.66 -1.25 -4.63 114.28 113.51 1ub2 n THR 98 Ca 0.01 -0.12 -0.37 0.00 -3.05 0.00 0.00 64.05 60.52 1ub2 n THR 98 Cb 0.01 0.54 0.01 0.00 -1.55 0.00 0.00 70.33 69.34 1ub2 n THR 98 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1ub2 s TYR 99 N -2.62 2.71 -0.11 1.09 5.04 -1.08 -4.10 117.35 118.28 1ub2 s TYR 99 Ca 0.20 1.49 -0.07 0.00 -2.44 0.00 0.00 57.07 56.25 1ub2 s TYR 99 Cb 0.19 -3.50 0.04 0.00 0.35 0.00 0.00 41.96 39.03 1ub2 s TYR 99 CO 0.58 -1.91 0.26 -0.98 -1.34 0.00 0.00 175.55 172.17 1ub2 s ARG 100 N -2.75 0.26 0.38 4.97 1.70 -0.72 -4.53 118.95 118.25 1ub2 s ARG 100 Ca 0.66 0.47 0.09 0.00 -0.47 0.00 0.00 55.73 56.48 1ub2 s ARG 100 Cb -0.32 -0.00 0.74 0.00 -0.57 0.00 0.00 34.95 34.80 1ub2 s ARG 100 CO 0.39 -0.11 1.90 -0.84 -1.08 0.00 0.00 175.30 175.55 1ub2 h ILE 101 N 5.38 1.19 -0.72 4.99 3.07 -1.38 0.26 117.51 130.31 1ub2 h ILE 101 Ca -0.34 -0.84 0.14 0.00 1.55 0.00 0.00 64.86 65.37 1ub2 h ILE 101 Cb 1.17 1.22 -0.10 0.00 -0.27 0.00 0.00 36.82 38.85 1ub2 h ILE 101 CO 0.36 0.26 0.21 0.00 -1.05 0.00 0.00 178.15 177.93 1ub2 h ALA 102 N 1.61 0.95 0.00 0.16 0.00 -1.83 -3.26 119.26 116.89 1ub2 h ALA 102 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ub2 h ALA 102 Cb 0.40 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ub2 h ALA 102 CO 0.02 -0.29 0.00 -0.40 0.00 0.00 0.00 179.25 178.59 1ub2 n ASP 103 N -5.10 0.57 0.00 0.00 5.75 -1.22 -4.88 116.55 111.66 1ub2 n ASP 103 Ca 0.13 -0.94 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 1ub2 n ASP 103 Cb 0.42 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1ub2 n ASP 103 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ub2 n GLY 104 N 0.05 0.55 3.86 6.12 0.00 0.93 -4.70 105.19 111.99 1ub2 n GLY 104 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1ub2 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ub2 s ARG 105 N -0.40 3.67 0.00 1.61 0.52 -1.23 -3.28 118.95 119.83 1ub2 s ARG 105 Ca 0.00 0.82 0.00 0.00 -0.52 0.00 0.00 55.73 56.03 1ub2 s ARG 105 Cb 0.00 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.38 1ub2 s ARG 105 CO 0.00 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.22 1ub2 n GLY 106 N -2.37 -1.34 0.00 -3.53 0.00 -1.26 -1.75 105.19 94.95 1ub2 n GLY 106 Ca 0.06 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1ub2 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub2 n GLY 107 N -1.60 1.58 0.77 -0.02 0.00 -1.26 -4.36 105.19 100.30 1ub2 n GLY 107 Ca 0.00 -2.22 0.11 0.00 0.00 0.00 0.00 46.02 43.91 1ub2 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub2 n ALA 108 N -0.70 2.49 0.48 4.61 0.00 -0.98 -4.54 120.51 121.86 1ub2 n ALA 108 Ca 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 53.44 52.81 1ub2 n ALA 108 Cb 0.00 -1.00 0.25 0.00 0.00 0.00 0.00 19.45 18.70 1ub2 n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub2 n GLY 109 N 1.27 -0.58 0.00 0.00 0.00 -1.26 -3.24 105.19 101.38 1ub2 n GLY 109 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ub2 n GLY 109 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ub2 n THR 110 N -1.26 0.01 -2.17 2.61 -2.24 -1.26 -4.30 114.28 105.68 1ub2 n THR 110 Ca 0.05 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1ub2 n THR 110 Cb 0.07 1.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.85 1ub2 n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ub2 n GLY 111 N -0.01 -0.02 0.12 3.38 0.00 -1.20 -3.61 105.19 103.86 1ub2 n GLY 111 Ca 0.00 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.80 1ub2 n GLY 111 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ub2 n ASN 112 N -0.62 0.45 0.11 1.61 2.04 -1.26 -2.75 115.26 114.83 1ub2 n ASN 112 Ca -0.16 0.69 0.11 0.00 -0.44 0.00 0.00 54.58 54.77 1ub2 n ASN 112 Cb 0.61 -0.75 0.46 0.00 -2.53 0.00 0.00 39.78 37.56 1ub2 n ASN 112 CO 0.00 0.00 0.00 1.67 -0.44 0.00 0.00 177.26 178.49 1ub2 n GLN 113 N -2.08 0.16 0.00 -3.83 7.27 -1.26 -1.92 117.38 115.71 1ub2 n GLN 113 Ca -0.00 0.41 0.15 0.00 0.07 0.00 0.00 57.00 57.62 1ub2 n GLN 113 Cb 0.06 -1.81 0.68 0.00 2.41 0.00 0.00 30.24 31.58 1ub2 n GLN 113 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1ub2 n ARG 114 N -2.11 1.31 -4.43 3.69 1.85 -1.11 -3.32 116.66 112.54 1ub2 n ARG 114 Ca 0.02 -0.54 -0.21 0.00 -1.00 0.00 0.00 57.85 56.12 1ub2 n ARG 114 Cb 0.20 -1.49 -0.10 0.00 -1.05 0.00 0.00 32.46 30.02 1ub2 n ARG 114 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1ub2 s PHE 115 N -2.06 1.94 0.57 2.89 2.99 -0.81 -4.93 117.98 118.57 1ub2 s PHE 115 Ca 0.40 -0.81 -0.18 0.00 0.00 0.00 0.00 56.93 56.34 1ub2 s PHE 115 Cb 0.21 -1.18 -0.04 0.00 0.00 0.00 0.00 43.02 42.01 1ub2 s PHE 115 CO 0.37 0.16 1.13 0.00 -0.00 0.00 0.00 175.22 176.87 1ub2 s ALA 116 N -3.14 2.63 -0.70 5.36 0.00 -1.26 -1.41 121.76 123.24 1ub2 s ALA 116 Ca 0.32 0.75 0.23 0.00 0.00 0.00 0.00 51.96 53.26 1ub2 s ALA 116 Cb 0.06 -3.35 0.08 0.00 0.00 0.00 0.00 23.12 19.91 1ub2 s ALA 116 CO 0.13 -0.91 1.06 -0.35 0.00 0.00 0.00 175.76 175.69 1ub2 n PRO 117 N -1.60 0.22 -0.11 0.00 -0.04 -1.26 -4.41 135.00 127.80 1ub2 n PRO 117 Ca 0.11 -0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.75 1ub2 n PRO 117 Cb 0.51 -1.57 0.59 0.00 -0.04 0.00 0.00 33.50 32.99 1ub2 n PRO 117 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ub2 h LEU 118 N 0.00 0.22 -0.27 1.53 3.38 -1.80 -0.06 115.31 118.31 1ub2 h LEU 118 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ub2 h LEU 118 Cb 0.68 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ub2 h LEU 118 CO 0.00 0.11 0.00 -0.46 0.09 0.00 0.00 178.44 178.18 1ub2 n ASN 119 N -4.43 0.23 -0.06 -0.43 2.04 -0.50 -2.97 115.26 109.14 1ub2 n ASN 119 Ca 0.13 0.56 0.03 0.00 -0.44 0.00 0.00 54.58 54.87 1ub2 n ASN 119 Cb 0.60 -0.61 0.04 0.00 -2.53 0.00 0.00 39.78 37.29 1ub2 n ASN 119 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1ub2 n SER 120 N -1.76 1.72 -4.77 0.53 7.64 -0.05 -4.60 113.62 112.32 1ub2 n SER 120 Ca 0.03 -2.23 -0.37 0.00 1.01 0.00 0.00 58.87 57.31 1ub2 n SER 120 Cb 0.17 -0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 1ub2 n SER 120 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ub2 s TRP 121 N -1.40 2.97 0.27 1.43 0.52 -1.10 -4.87 118.94 116.76 1ub2 s TRP 121 Ca 0.10 1.56 -0.01 0.00 0.02 0.00 0.00 56.10 57.77 1ub2 s TRP 121 Cb 0.09 -3.34 0.46 0.00 -1.15 0.00 0.00 33.47 29.54 1ub2 s TRP 121 CO 0.01 -1.33 1.86 -1.35 0.02 0.00 0.00 176.95 176.16 1ub2 h PRO 122 N 2.19 1.04 0.00 4.98 0.11 -1.92 -0.65 132.00 137.75 1ub2 h PRO 122 Ca -0.49 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.55 1ub2 h PRO 122 Cb 1.24 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1ub2 h PRO 122 CO 0.61 0.69 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.63 1ub2 h ASP 123 N 1.07 0.00 -0.55 -2.05 5.19 -1.79 -1.85 116.42 116.43 1ub2 h ASP 123 Ca 0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 1ub2 h ASP 123 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1ub2 h ASP 123 CO -0.22 0.01 0.00 0.59 -3.12 0.00 0.00 179.24 176.50 1ub2 n ASN 124 N -3.15 4.58 -4.65 6.45 5.03 -0.25 -4.96 115.26 118.30 1ub2 n ASN 124 Ca -0.02 -2.54 -0.48 0.00 0.87 0.00 0.00 54.58 52.41 1ub2 n ASN 124 Cb 0.17 -0.59 -0.05 0.00 -1.02 0.00 0.00 39.78 38.30 1ub2 n ASN 124 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1ub2 n THR 125 N 0.82 0.03 -0.82 3.41 -1.04 -0.70 -1.10 114.28 114.88 1ub2 n THR 125 Ca 0.23 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1ub2 n THR 125 Cb 0.90 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 1ub2 n THR 125 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ub2 n ASN 126 N 3.39 -1.10 0.08 8.00 3.02 -1.26 -4.82 115.26 122.57 1ub2 n ASN 126 Ca 0.18 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.84 1ub2 n ASN 126 Cb 0.26 -1.37 0.46 0.00 -0.61 0.00 0.00 39.78 38.52 1ub2 n ASN 126 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ub2 n LEU 127 N 0.00 0.48 -0.01 3.41 4.77 -0.26 -1.83 117.00 123.57 1ub2 n LEU 127 Ca 0.00 0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 56.54 1ub2 n LEU 127 Cb 0.06 -0.46 0.26 0.00 -2.33 0.00 0.00 43.42 40.94 1ub2 n LEU 127 CO 0.00 -0.28 0.87 -2.24 -1.33 0.00 0.00 177.39 174.42 1ub2 h ASP 128 N 0.00 0.51 -0.40 -1.43 -0.00 -1.88 -1.03 116.42 112.20 1ub2 h ASP 128 Ca 0.00 -0.12 -0.09 0.00 -0.00 0.00 0.00 57.03 56.82 1ub2 h ASP 128 Cb 0.50 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.68 1ub2 h ASP 128 CO 0.00 0.63 -0.09 0.11 -0.00 0.00 0.00 179.24 179.89 1ub2 h LYS 129 N 0.50 0.76 -0.18 4.15 1.79 -1.74 -1.86 116.57 119.99 1ub2 h LYS 129 Ca 0.10 -0.29 0.01 0.00 -2.18 0.00 0.00 60.65 58.30 1ub2 h LYS 129 Cb 0.44 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 1ub2 h LYS 129 CO 0.02 0.89 0.07 0.00 -1.08 0.00 0.00 179.45 179.36 1ub2 h ALA 130 N 0.84 0.20 -0.48 3.86 0.00 -1.36 -0.51 119.26 121.81 1ub2 h ALA 130 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ub2 h ALA 130 Cb 0.61 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1ub2 h ALA 130 CO 0.04 -0.36 0.30 0.00 0.00 0.00 0.00 179.25 179.23 1ub2 h ARG 131 N 0.16 0.65 -0.14 0.00 3.08 -1.16 -2.37 114.38 114.61 1ub2 h ARG 131 Ca 0.08 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1ub2 h ARG 131 Cb 0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1ub2 h ARG 131 CO -0.07 0.47 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.13 1ub2 h ARG 132 N 0.65 0.21 0.00 0.04 9.65 -1.06 -1.73 114.38 122.14 1ub2 h ARG 132 Ca 0.17 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1ub2 h ARG 132 Cb -0.02 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1ub2 h ARG 132 CO -0.03 0.30 0.00 -0.07 2.80 0.00 0.00 179.97 182.97 1ub2 h LEU 133 N 0.20 0.00 -0.25 3.80 3.38 -0.56 -2.73 115.31 119.15 1ub2 h LEU 133 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ub2 h LEU 133 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ub2 h LEU 133 CO 0.01 0.00 -0.42 0.18 0.09 0.00 0.00 178.44 178.31 1ub2 n LEU 134 N -2.87 0.81 -0.21 1.67 4.77 -0.66 -4.43 117.00 116.09 1ub2 n LEU 134 Ca 0.01 -0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 55.76 1ub2 n LEU 134 Cb 0.29 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1ub2 n LEU 134 CO 0.26 0.17 1.09 -0.25 -1.33 0.00 0.00 177.39 177.33 1ub2 h TRP 135 N 0.62 0.77 -0.81 -1.77 -0.00 -1.43 -2.40 115.95 110.93 1ub2 h TRP 135 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.89 59.02 1ub2 h TRP 135 Cb 0.51 -0.25 -0.06 0.00 -0.00 0.00 0.00 29.16 29.36 1ub2 h TRP 135 CO 0.00 0.52 0.53 -1.35 -0.00 0.00 0.00 178.44 178.14 1ub2 h PRO 136 N 0.79 0.58 -0.27 2.65 0.11 -1.80 0.25 132.00 134.32 1ub2 h PRO 136 Ca 0.21 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.17 1ub2 h PRO 136 Cb -0.03 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 30.94 1ub2 h PRO 136 CO -0.04 0.39 -0.29 0.82 -0.21 0.00 0.00 178.00 178.66 1ub2 h ILE 137 N 0.60 1.31 -0.48 4.15 2.04 -1.77 -1.57 117.51 121.79 1ub2 h ILE 137 Ca 0.39 -1.47 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 1ub2 h ILE 137 Cb 0.68 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1ub2 h ILE 137 CO -0.15 0.47 0.05 0.50 0.00 0.00 0.00 178.15 179.02 1ub2 h LYS 138 N 0.42 0.75 -0.64 2.37 1.63 -0.78 -1.32 116.57 119.00 1ub2 h LYS 138 Ca 0.04 -0.17 -0.08 0.00 -0.85 0.00 0.00 60.65 59.59 1ub2 h LYS 138 Cb 0.86 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.37 1ub2 h LYS 138 CO 0.07 0.73 0.09 0.37 -3.45 0.00 0.00 179.45 177.26 1ub2 h GLN 139 N 0.72 1.08 -0.24 1.90 4.15 -0.41 -0.45 115.11 121.85 1ub2 h GLN 139 Ca 0.15 -0.30 -0.06 0.00 0.77 0.00 0.00 58.65 59.21 1ub2 h GLN 139 Cb 0.36 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1ub2 h GLN 139 CO 0.01 1.00 -0.10 -0.22 -1.93 0.00 0.00 178.83 177.59 1ub2 h LYS 140 N 0.99 0.49 0.00 1.69 3.64 -0.73 -3.29 116.57 119.36 1ub2 h LYS 140 Ca 0.19 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ub2 h LYS 140 Cb 0.45 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1ub2 h LYS 140 CO 0.02 0.75 -0.65 0.66 -2.27 0.00 0.00 179.45 177.95 1ub2 n TYR 141 N -4.52 0.35 -1.30 1.91 4.02 -0.55 -5.03 117.16 112.04 1ub2 n TYR 141 Ca -0.04 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1ub2 n TYR 141 Cb 0.33 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 1ub2 n TYR 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ub2 n GLY 142 N 1.39 2.77 0.09 2.72 0.00 -0.18 -2.86 105.19 109.12 1ub2 n GLY 142 Ca 0.04 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1ub2 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ub2 n ASN 143 N 1.73 0.34 -0.12 1.61 3.02 -1.26 -1.73 115.26 118.85 1ub2 n ASN 143 Ca 0.00 0.64 0.13 0.00 -0.03 0.00 0.00 54.58 55.32 1ub2 n ASN 143 Cb 0.00 -0.69 0.40 0.00 -0.61 0.00 0.00 39.78 38.88 1ub2 n ASN 143 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ub2 n LYS 144 N -1.94 0.47 -3.72 3.52 5.02 -1.13 -4.63 118.16 115.75 1ub2 n LYS 144 Ca 0.00 -0.24 -0.30 0.00 -2.02 0.00 0.00 58.31 55.75 1ub2 n LYS 144 Cb 0.07 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.44 1ub2 n LYS 144 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1ub2 s LEU 145 N -2.70 2.10 0.67 -0.35 2.96 -0.70 -4.25 118.68 116.41 1ub2 s LEU 145 Ca 0.20 -1.61 -0.15 0.00 -0.22 0.00 0.00 54.13 52.36 1ub2 s LEU 145 Cb 0.19 -0.82 0.00 0.00 0.50 0.00 0.00 46.19 46.06 1ub2 s LEU 145 CO 0.57 -0.42 1.11 -0.94 -1.32 0.00 0.00 176.35 175.35 1ub2 s SER 146 N 1.66 5.06 0.35 3.68 1.04 -1.26 -4.73 113.70 119.50 1ub2 s SER 146 Ca 0.10 1.98 0.06 0.00 0.48 0.00 0.00 55.95 58.56 1ub2 s SER 146 Cb -0.17 -2.55 0.67 0.00 0.10 0.00 0.00 66.02 64.07 1ub2 s SER 146 CO -0.26 -1.66 1.90 -0.50 0.98 0.00 0.00 173.24 173.70 1ub2 h TRP 147 N -0.08 0.47 -0.38 5.02 4.06 -1.94 -1.78 115.95 121.32 1ub2 h TRP 147 Ca -0.46 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.44 1ub2 h TRP 147 Cb 1.24 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 29.25 1ub2 h TRP 147 CO 0.55 0.48 0.24 0.00 -3.56 0.00 0.00 178.44 176.14 1ub2 h ALA 148 N 1.56 0.48 -0.26 1.49 0.00 -1.83 -0.83 119.26 119.87 1ub2 h ALA 148 Ca 0.10 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1ub2 h ALA 148 Cb 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ub2 h ALA 148 CO 0.01 -0.04 -0.23 -0.44 0.00 0.00 0.00 179.25 178.56 1ub2 h ASP 149 N 0.50 0.65 -0.39 0.00 3.32 -1.65 -2.28 116.42 116.57 1ub2 h ASP 149 Ca 0.14 -0.46 0.04 0.00 0.02 0.00 0.00 57.03 56.76 1ub2 h ASP 149 Cb -0.02 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 1ub2 h ASP 149 CO -0.03 0.98 0.17 0.25 -1.72 0.00 0.00 179.24 178.89 1ub2 h LEU 150 N 0.33 0.22 -0.89 1.55 5.85 -1.22 0.30 115.31 121.45 1ub2 h LEU 150 Ca 0.04 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1ub2 h LEU 150 Cb 0.78 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1ub2 h LEU 150 CO 0.06 0.17 -0.02 0.40 -0.34 0.00 0.00 178.44 178.70 1ub2 h ILE 151 N 0.35 1.25 0.00 4.05 2.04 -1.15 -1.21 117.51 122.84 1ub2 h ILE 151 Ca 0.17 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.92 1ub2 h ILE 151 Cb 0.12 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1ub2 h ILE 151 CO -0.15 0.36 -0.35 0.00 0.00 0.00 0.00 178.15 178.02 1ub2 h ALA 152 N 1.23 0.92 0.06 1.87 0.00 -0.77 -3.27 119.26 119.31 1ub2 h ALA 152 Ca 0.14 -0.32 -0.30 0.00 0.00 0.00 0.00 54.91 54.43 1ub2 h ALA 152 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ub2 h ALA 152 CO 0.02 0.44 -1.60 -0.92 0.00 0.00 0.00 179.25 177.19 1ub2 h TYR 153 N 0.00 0.23 -0.84 0.00 -0.00 -0.09 -3.40 116.97 112.86 1ub2 h TYR 153 Ca -0.00 -0.17 0.14 0.00 -0.00 0.00 0.00 58.73 58.69 1ub2 h TYR 153 Cb 0.97 -0.01 -0.14 0.00 -0.00 0.00 0.00 36.73 37.55 1ub2 h TYR 153 CO 0.00 1.25 -0.36 0.00 -0.00 0.00 0.00 178.16 179.05 1ub2 h ALA 154 N 0.68 0.11 -0.12 1.82 0.00 -1.27 -0.23 119.26 120.24 1ub2 h ALA 154 Ca -0.26 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1ub2 h ALA 154 Cb 1.99 0.91 -0.01 0.00 0.00 0.00 0.00 17.79 20.68 1ub2 h ALA 154 CO 0.12 -0.63 -0.15 0.78 0.00 0.00 0.00 179.25 179.37 1ub2 h GLY 155 N -0.06 0.21 0.85 0.00 0.00 -1.76 -1.55 103.07 100.75 1ub2 h GLY 155 Ca 0.31 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1ub2 h GLY 155 CO -0.87 0.12 -0.04 -0.84 0.00 0.00 0.00 176.54 174.90 1ub2 h THR 156 N 0.19 1.28 -0.35 4.70 2.02 -1.29 -0.97 112.91 118.48 1ub2 h THR 156 Ca 0.04 -1.02 -0.10 0.00 0.77 0.00 0.00 66.41 66.10 1ub2 h THR 156 Cb 0.38 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1ub2 h THR 156 CO 0.02 0.32 -0.19 0.40 0.37 0.00 0.00 175.52 176.45 1ub2 h ILE 157 N 0.23 1.26 -0.20 3.11 1.08 -1.24 -1.23 117.51 120.51 1ub2 h ILE 157 Ca 0.07 -1.23 0.01 0.00 -0.39 0.00 0.00 64.86 63.31 1ub2 h ILE 157 Cb 0.49 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1ub2 h ILE 157 CO 0.02 0.41 0.12 0.00 -0.69 0.00 0.00 178.15 178.01 1ub2 h ALA 158 N 1.21 0.25 -0.54 1.87 0.00 -1.10 0.70 119.26 121.65 1ub2 h ALA 158 Ca 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ub2 h ALA 158 Cb 0.65 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1ub2 h ALA 158 CO 0.05 -0.28 0.33 1.88 0.00 0.00 0.00 179.25 181.23 1ub2 h TYR 159 N 0.26 0.62 -0.17 0.00 0.99 -0.88 -1.16 116.97 116.62 1ub2 h TYR 159 Ca 0.08 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.86 1ub2 h TYR 159 Cb -0.02 -0.20 -0.04 0.00 1.00 0.00 0.00 36.73 37.47 1ub2 h TYR 159 CO -0.07 0.37 -0.08 0.93 -0.00 0.00 0.00 178.16 179.30 1ub2 h GLU 160 N 0.66 -0.06 0.00 4.88 4.39 -0.60 -1.09 114.58 122.77 1ub2 h GLU 160 Ca 0.21 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1ub2 h GLU 160 Cb -0.00 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1ub2 h GLU 160 CO -0.08 -0.04 -0.09 0.66 -1.16 0.00 0.00 179.01 178.30 1ub2 h SER 161 N -0.06 0.00 0.03 1.42 4.64 -0.43 -1.75 113.55 117.41 1ub2 h SER 161 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1ub2 h SER 161 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1ub2 h SER 161 CO -0.21 0.09 -0.05 0.23 -0.87 0.00 0.00 176.83 176.02 1ub2 n MET 162 N -3.99 1.55 0.00 4.77 2.81 -0.48 -4.95 117.12 116.83 1ub2 n MET 162 Ca -0.02 -0.94 0.00 0.00 -1.81 0.00 0.00 57.70 54.92 1ub2 n MET 162 Cb 0.18 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1ub2 n MET 162 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ub2 n GLY 163 N 1.22 1.07 3.75 3.03 0.00 -0.66 -0.98 105.19 112.62 1ub2 n GLY 163 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1ub2 n GLY 163 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ub2 s LEU 164 N 0.00 4.46 -0.70 0.99 1.98 -0.48 -4.94 118.68 119.99 1ub2 s LEU 164 Ca 0.00 1.44 -0.26 0.00 -2.89 0.00 0.00 54.13 52.42 1ub2 s LEU 164 Cb 0.00 -3.21 0.04 0.00 0.66 0.00 0.00 46.19 43.68 1ub2 s LEU 164 CO 0.00 0.04 1.18 -1.59 -1.89 0.00 0.00 176.35 174.09 1ub2 s LYS 165 N -0.18 3.20 0.74 1.98 0.00 -1.26 -3.82 119.74 120.41 1ub2 s LYS 165 Ca 0.38 -0.35 -0.11 0.00 0.00 0.00 0.00 55.97 55.89 1ub2 s LYS 165 Cb -0.21 -4.17 0.03 0.00 0.00 0.00 0.00 37.83 33.49 1ub2 s LYS 165 CO 0.23 -2.00 1.07 0.95 0.00 0.00 0.00 175.35 175.60 1ub2 s THR 166 N 5.19 3.65 -0.07 3.79 -4.23 -1.26 -4.83 115.64 117.88 1ub2 s THR 166 Ca 0.32 0.54 0.13 0.00 -1.18 0.00 0.00 61.69 61.50 1ub2 s THR 166 Cb -0.10 -3.20 -0.11 0.00 1.34 0.00 0.00 72.50 70.43 1ub2 s THR 166 CO 0.15 -0.70 1.08 0.15 -0.54 0.00 0.00 174.62 174.76 1ub2 h PHE 167 N -0.92 0.00 0.00 3.99 3.57 -1.95 -3.50 116.94 118.13 1ub2 h PHE 167 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1ub2 h PHE 167 Cb 1.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1ub2 h PHE 167 CO 0.58 0.71 0.00 0.41 -2.23 0.00 0.00 178.31 177.78 1ub2 n GLY 168 N 1.36 -0.10 3.58 2.40 0.00 -1.26 -4.66 105.19 106.52 1ub2 n GLY 168 Ca -0.05 -1.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 1ub2 n GLY 168 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ub2 s PHE 169 N -1.75 -0.64 -0.04 1.61 5.36 -0.63 -4.88 117.98 117.00 1ub2 s PHE 169 Ca 0.00 1.36 0.03 0.00 -0.96 0.00 0.00 56.93 57.35 1ub2 s PHE 169 Cb 0.00 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1ub2 s PHE 169 CO 0.00 -0.44 -0.11 0.00 -1.46 0.00 0.00 175.22 173.21 1ub2 s ALA 170 N -0.41 1.09 0.72 11.12 0.00 -1.26 -3.04 121.76 129.98 1ub2 s ALA 170 Ca -0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 1ub2 s ALA 170 Cb -0.03 -0.42 0.11 0.00 0.00 0.00 0.00 23.12 22.78 1ub2 s ALA 170 CO 0.03 0.16 1.00 -0.06 0.00 0.00 0.00 175.76 176.89 1ub2 s PHE 171 N 0.30 2.04 0.00 0.00 0.40 0.22 -4.79 117.98 116.15 1ub2 s PHE 171 Ca -0.06 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 1ub2 s PHE 171 Cb -0.11 -3.13 0.00 0.00 0.51 0.00 0.00 43.02 40.29 1ub2 s PHE 171 CO 0.02 -1.63 0.00 0.41 0.70 0.00 0.00 175.22 174.72 1ub2 n GLY 172 N -2.88 -0.05 3.58 4.36 0.00 -1.26 -1.76 105.19 107.18 1ub2 n GLY 172 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1ub2 n GLY 172 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ub2 s ARG 173 N 0.00 3.67 0.25 1.61 0.52 -1.26 -4.97 118.95 118.77 1ub2 s ARG 173 Ca 0.00 0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 55.14 1ub2 s ARG 173 Cb 0.00 -3.84 -0.09 0.00 0.52 0.00 0.00 34.95 31.53 1ub2 s ARG 173 CO 0.00 -0.94 0.94 -1.83 0.02 0.00 0.00 175.30 173.49 1ub2 s GLU 174 N 3.21 4.83 0.58 3.54 1.03 -1.26 -4.20 118.70 126.44 1ub2 s GLU 174 Ca 0.32 1.47 -0.17 0.00 0.03 0.00 0.00 54.97 56.62 1ub2 s GLU 174 Cb -0.13 -3.24 -0.04 0.00 -0.80 0.00 0.00 34.13 29.92 1ub2 s GLU 174 CO 0.19 0.50 1.08 -0.51 -1.33 0.00 0.00 175.26 175.19 1ub2 s ASP 175 N -1.21 5.71 0.40 0.83 -0.00 -1.26 -4.60 116.67 116.53 1ub2 s ASP 175 Ca 0.42 1.94 0.08 0.00 -0.00 0.00 0.00 52.55 54.98 1ub2 s ASP 175 Cb -0.25 -2.55 -0.05 0.00 -0.00 0.00 0.00 42.92 40.07 1ub2 s ASP 175 CO 0.31 -1.22 0.17 0.27 -0.00 0.00 0.00 175.17 174.70 1ub2 s ILE 176 N -2.24 2.41 0.00 0.77 -4.36 -1.24 -5.08 121.20 111.47 1ub2 s ILE 176 Ca 0.66 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.35 1ub2 s ILE 176 Cb -0.18 -2.98 0.00 0.00 1.25 0.00 0.00 42.46 40.54 1ub2 s ILE 176 CO 0.34 -0.03 0.69 0.79 0.24 0.00 0.00 174.94 176.96 1ub2 n TRP 177 N -1.22 0.00 -3.59 1.37 7.02 -1.26 -5.06 117.44 114.70 1ub2 n TRP 177 Ca -0.01 -0.24 -0.07 0.00 -1.02 0.00 0.00 57.50 56.16 1ub2 n TRP 177 Cb 0.64 -0.02 -0.02 0.00 -2.42 0.00 0.00 31.31 29.49 1ub2 n TRP 177 CO 0.00 0.00 0.00 -3.38 -2.02 0.00 0.00 177.69 172.29 1ub2 s HIS 178 N -0.47 -0.30 0.51 -5.99 -3.43 -1.26 -5.06 115.29 99.29 1ub2 s HIS 178 Ca 0.00 0.08 -0.20 0.00 -0.80 0.00 0.00 55.06 54.13 1ub2 s HIS 178 Cb 0.00 0.59 -0.10 0.00 -1.43 0.00 0.00 32.58 31.64 1ub2 s HIS 178 CO 0.00 -0.74 0.63 -2.30 -2.00 0.00 0.00 174.74 170.33 1ub2 n PRO 179 N -0.35 0.68 -2.66 -0.38 -0.02 -1.26 -4.87 135.00 126.13 1ub2 n PRO 179 Ca -0.09 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1ub2 n PRO 179 Cb 0.62 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 1ub2 n PRO 179 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ub2 s GLU 180 N -1.98 3.30 0.62 -0.52 2.02 -1.26 -4.85 118.70 116.02 1ub2 s GLU 180 Ca 0.67 -0.71 0.39 0.00 0.02 0.00 0.00 54.97 55.33 1ub2 s GLU 180 Cb -0.50 -4.52 2.02 0.00 0.10 0.00 0.00 34.13 31.22 1ub2 s GLU 180 CO 0.55 -2.05 2.24 0.87 0.02 0.00 0.00 175.26 176.89 1ub2 h LYS 181 N 9.76 0.00 0.00 1.61 1.57 -1.94 -3.03 116.57 124.54 1ub2 h LYS 181 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1ub2 h LYS 181 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1ub2 h LYS 181 CO 1.28 0.02 0.00 0.38 -0.57 0.00 0.00 179.45 180.55 1ub2 h ASP 182 N 0.00 0.00 -3.22 0.86 3.04 -1.88 -3.45 116.42 111.76 1ub2 h ASP 182 Ca -0.00 0.00 -0.59 0.00 -3.24 0.00 0.00 57.03 53.20 1ub2 h ASP 182 Cb 0.16 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.38 1ub2 h ASP 182 CO 0.00 0.00 0.57 -0.63 -2.04 0.00 0.00 179.24 177.14 1ub2 s ILE 183 N -3.27 4.79 -0.37 4.15 1.01 -1.15 -5.01 121.20 121.35 1ub2 s ILE 183 Ca 0.07 1.74 -0.19 0.00 0.00 0.00 0.00 60.65 62.26 1ub2 s ILE 183 Cb 0.09 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1ub2 s ILE 183 CO 0.56 -0.09 0.58 -0.47 0.00 0.00 0.00 174.94 175.52 1ub2 s TYR 184 N 2.83 3.15 -0.86 3.97 5.04 -1.26 -4.94 117.35 125.28 1ub2 s TYR 184 Ca 0.39 0.19 0.25 0.00 -2.44 0.00 0.00 57.07 55.46 1ub2 s TYR 184 Cb -0.15 -3.07 0.58 0.00 0.35 0.00 0.00 41.96 39.67 1ub2 s TYR 184 CO 0.08 -0.63 1.48 0.91 -1.34 0.00 0.00 175.55 176.06 1ub2 n TRP 185 N 5.93 0.25 0.00 4.97 7.02 -1.26 -4.92 117.44 129.43 1ub2 n TRP 185 Ca -0.03 0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1ub2 n TRP 185 Cb 0.49 -0.47 0.00 0.00 -2.42 0.00 0.00 31.31 28.90 1ub2 n TRP 185 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ub2 n GLY 186 N 1.43 3.40 0.08 6.99 0.00 -1.26 -4.89 105.19 110.95 1ub2 n GLY 186 Ca 0.05 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.78 1ub2 n GLY 186 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ub2 n PRO 187 N -1.68 0.25 -2.06 1.61 -0.04 -1.26 -4.95 135.00 126.88 1ub2 n PRO 187 Ca 0.00 0.14 -0.39 0.00 -0.04 0.00 0.00 63.50 63.21 1ub2 n PRO 187 Cb 0.00 -1.73 -0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1ub2 n PRO 187 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ub2 s GLU 188 N -3.12 3.87 -0.23 0.54 8.01 -1.24 -4.93 118.70 121.60 1ub2 s GLU 188 Ca 0.09 2.12 0.12 0.00 0.01 0.00 0.00 54.97 57.31 1ub2 s GLU 188 Cb 0.13 -2.67 0.48 0.00 -4.31 0.00 0.00 34.13 27.76 1ub2 s GLU 188 CO 0.65 -0.56 1.39 1.63 0.01 0.00 0.00 175.26 178.38 1ub2 n LYS 189 N -0.05 2.02 -3.90 1.61 5.02 -1.26 -4.97 118.16 116.64 1ub2 n LYS 189 Ca 0.05 -3.03 -0.09 0.00 -2.02 0.00 0.00 58.31 53.21 1ub2 n LYS 189 Cb 0.44 -1.76 -0.09 0.00 -0.02 0.00 0.00 35.03 33.60 1ub2 n LYS 189 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ub2 s GLU 190 N -3.09 0.69 -0.09 1.97 0.41 -1.26 -5.16 118.70 112.16 1ub2 s GLU 190 Ca 0.42 -0.81 -0.23 0.00 -0.41 0.00 0.00 54.97 53.94 1ub2 s GLU 190 Cb 0.37 0.28 -0.03 0.00 -1.78 0.00 0.00 34.13 32.96 1ub2 s GLU 190 CO 0.02 -0.19 0.68 -1.58 -0.49 0.00 0.00 175.26 173.70 1ub2 s TRP 191 N -3.05 3.54 -1.41 1.61 0.23 -1.26 -4.47 118.94 114.12 1ub2 s TRP 191 Ca -0.01 1.18 -0.02 0.00 -2.03 0.00 0.00 56.10 55.22 1ub2 s TRP 191 Cb 0.01 -2.80 0.00 0.00 0.03 0.00 0.00 33.47 30.71 1ub2 s TRP 191 CO -0.07 0.04 0.38 0.34 0.96 0.00 0.00 176.95 178.60 1ub2 n PHE 192 N 4.04 -1.60 -2.03 -1.98 -0.00 0.13 -4.97 117.46 111.05 1ub2 n PHE 192 Ca -0.01 0.70 -0.29 0.00 -0.00 0.00 0.00 57.45 57.84 1ub2 n PHE 192 Cb 0.51 -3.58 0.03 0.00 -0.00 0.00 0.00 39.48 36.45 1ub2 n PHE 192 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1ub2 s PRO 193 N -6.66 3.07 0.84 -7.13 0.04 -1.26 -4.99 135.00 118.90 1ub2 s PRO 193 Ca 0.03 0.42 -0.12 0.00 0.04 0.00 0.00 61.00 61.37 1ub2 s PRO 193 Cb -0.01 -2.10 0.10 0.00 0.04 0.00 0.00 34.50 32.53 1ub2 s PRO 193 CO 0.90 -0.82 1.17 -2.14 0.04 0.00 0.00 177.00 176.15 1ub2 s PRO 194 N -5.21 1.48 0.00 0.56 0.02 -1.26 -4.86 135.00 125.72 1ub2 s PRO 194 Ca 0.56 1.62 0.30 0.00 0.02 0.00 0.00 61.00 63.50 1ub2 s PRO 194 Cb -0.11 -1.77 1.41 0.00 0.02 0.00 0.00 34.50 34.04 1ub2 s PRO 194 CO 0.51 -2.30 2.00 -1.13 -0.33 0.00 0.00 177.00 175.74 1ub2 n SER 195 N -3.65 0.01 -3.83 2.53 3.41 -1.26 -4.01 113.62 106.82 1ub2 n SER 195 Ca 0.12 0.09 -0.35 0.00 -0.26 0.00 0.00 58.87 58.47 1ub2 n SER 195 Cb 0.51 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 64.06 1ub2 n SER 195 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ub2 n THR 196 N -1.36 3.67 -3.95 6.66 -2.24 -1.26 -4.72 114.28 111.08 1ub2 n THR 196 Ca 0.11 -5.47 -0.08 0.00 -2.27 0.00 0.00 64.05 56.34 1ub2 n THR 196 Cb 0.28 -2.17 -0.04 0.00 -2.10 0.00 0.00 70.33 66.30 1ub2 n THR 196 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1ub2 s ASN 197 N -1.57 -0.12 0.70 3.42 0.01 -1.26 -5.13 114.94 110.99 1ub2 s ASN 197 Ca 0.33 -0.84 -0.11 0.00 -0.71 0.00 0.00 52.86 51.53 1ub2 s ASN 197 Cb 0.05 0.65 0.02 0.00 0.41 0.00 0.00 41.25 42.37 1ub2 s ASN 197 CO 0.00 -1.23 1.07 -2.84 -1.51 0.00 0.00 177.10 172.59 1ub2 s PRO 198 N -3.91 2.80 -1.67 -0.60 0.02 -1.26 -3.33 135.00 127.05 1ub2 s PRO 198 Ca 0.19 1.05 0.00 0.00 0.02 0.00 0.00 61.00 62.26 1ub2 s PRO 198 Cb -0.03 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1ub2 s PRO 198 CO 0.09 -1.21 0.00 0.09 -0.33 0.00 0.00 177.00 175.63 1ub2 n ASN 199 N -3.08 -5.59 -4.79 2.53 3.02 -1.26 -4.96 115.26 101.13 1ub2 n ASN 199 Ca 0.08 0.02 -0.35 0.00 -0.03 0.00 0.00 54.58 54.30 1ub2 n ASN 199 Cb 0.53 -4.67 -0.04 0.00 -0.61 0.00 0.00 39.78 34.99 1ub2 n ASN 199 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ub2 s SER 200 N -2.05 6.56 0.00 6.41 0.15 -1.21 -3.73 113.70 119.82 1ub2 s SER 200 Ca 0.00 1.97 0.14 0.00 0.70 0.00 0.00 55.95 58.76 1ub2 s SER 200 Cb 0.00 -2.57 0.40 0.00 -1.71 0.00 0.00 66.02 62.14 1ub2 s SER 200 CO 0.00 -0.63 1.33 -2.11 1.20 0.00 0.00 173.24 173.04 1ub2 n ARG 201 N -0.53 2.03 -5.07 5.44 1.85 -1.26 -4.87 116.66 114.25 1ub2 n ARG 201 Ca 0.07 -1.61 -0.32 0.00 -1.00 0.00 0.00 57.85 55.00 1ub2 n ARG 201 Cb 0.51 -1.35 -0.14 0.00 -1.05 0.00 0.00 32.46 30.43 1ub2 n ARG 201 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1ub2 s TYR 202 N -1.41 2.55 0.24 2.89 1.51 -1.26 -0.80 117.35 121.07 1ub2 s TYR 202 Ca 0.30 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 56.06 1ub2 s TYR 202 Cb 0.16 -1.58 -0.05 0.00 -0.11 0.00 0.00 41.96 40.37 1ub2 s TYR 202 CO 0.21 0.07 0.09 0.99 -1.11 0.00 0.00 175.55 175.80 1ub2 s THR 203 N -0.62 0.49 0.00 -0.71 2.01 -1.04 -4.94 115.64 110.83 1ub2 s THR 203 Ca 0.09 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.10 1ub2 s THR 203 Cb -0.11 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.82 1ub2 s THR 203 CO 0.00 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 1ub2 n GLY 204 N -0.42 2.67 3.23 4.40 0.00 -1.26 -2.11 105.19 111.71 1ub2 n GLY 204 Ca -0.00 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1ub2 n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ub2 s ASP 205 N -4.00 6.09 -1.08 1.61 3.68 -1.26 -4.73 116.67 116.98 1ub2 s ASP 205 Ca 0.00 -2.64 -0.22 0.00 2.13 0.00 0.00 52.55 51.82 1ub2 s ASP 205 Cb 0.00 -2.06 0.02 0.00 -1.45 0.00 0.00 42.92 39.43 1ub2 s ASP 205 CO 0.00 -0.52 0.69 -1.14 0.13 0.00 0.00 175.17 174.33 1ub2 n ARG 206 N 3.93 -0.81 -3.86 4.34 0.63 -1.15 -4.94 116.66 114.80 1ub2 n ARG 206 Ca 0.08 0.38 -0.35 0.00 -0.92 0.00 0.00 57.85 57.05 1ub2 n ARG 206 Cb 0.43 -2.94 -0.13 0.00 0.45 0.00 0.00 32.46 30.27 1ub2 n ARG 206 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1ub2 s GLU 207 N -6.32 2.18 0.14 -0.14 2.12 -0.89 -4.96 118.70 110.82 1ub2 s GLU 207 Ca 0.35 -1.54 -0.31 0.00 0.36 0.00 0.00 54.97 53.82 1ub2 s GLU 207 Cb -0.17 -3.36 -0.10 0.00 0.26 0.00 0.00 34.13 30.76 1ub2 s GLU 207 CO 0.92 -0.84 1.61 -1.17 -0.54 0.00 0.00 175.26 175.25 1ub2 s LEU 208 N 1.18 4.37 -0.10 2.70 2.96 -1.26 -2.50 118.68 126.03 1ub2 s LEU 208 Ca 0.02 2.60 -0.38 0.00 -0.22 0.00 0.00 54.13 56.15 1ub2 s LEU 208 Cb -0.21 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 42.74 1ub2 s LEU 208 CO -0.03 -0.86 1.58 1.21 -1.32 0.00 0.00 176.35 176.94 1ub2 n GLU 209 N 4.47 1.27 -0.37 1.98 2.13 0.02 -4.84 120.64 125.30 1ub2 n GLU 209 Ca 0.15 0.46 -0.06 0.00 0.66 0.00 0.00 57.16 58.37 1ub2 n GLU 209 Cb 0.39 -2.15 -0.02 0.00 0.27 0.00 0.00 31.44 29.93 1ub2 n GLU 209 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1ub2 h ASN 210 N 6.21 -1.72 -0.60 4.31 -0.73 -1.90 -2.65 115.58 118.51 1ub2 h ASN 210 Ca -0.47 0.31 0.06 0.00 1.87 0.00 0.00 56.30 58.07 1ub2 h ASN 210 Cb 1.32 0.82 -0.05 0.00 0.27 0.00 0.00 38.32 40.68 1ub2 h ASN 210 CO 0.88 -0.27 0.31 1.55 -0.37 0.00 0.00 177.43 179.53 1ub2 h PRO 211 N -0.03 0.56 -6.71 6.67 0.13 -1.99 -3.45 132.00 127.18 1ub2 h PRO 211 Ca 0.25 -0.03 -0.57 0.00 -0.87 0.00 0.00 66.00 64.77 1ub2 h PRO 211 Cb 0.52 -0.13 0.12 0.00 0.13 0.00 0.00 31.00 31.65 1ub2 h PRO 211 CO -0.93 0.37 0.35 1.28 -0.23 0.00 0.00 178.00 178.85 1ub2 n LEU 212 N -4.85 3.24 -0.10 1.56 4.77 -1.00 -4.66 117.00 115.96 1ub2 n LEU 212 Ca 0.07 1.11 0.07 0.00 -0.03 0.00 0.00 56.01 57.23 1ub2 n LEU 212 Cb 0.17 -1.43 0.10 0.00 -2.33 0.00 0.00 43.42 39.93 1ub2 n LEU 212 CO 0.28 -0.96 0.52 0.00 -1.33 0.00 0.00 177.39 175.90 1ub2 n ALA 213 N -0.13 2.16 -2.65 -1.18 0.00 -1.26 -4.85 120.51 112.60 1ub2 n ALA 213 Ca 0.07 -2.14 -0.14 0.00 0.00 0.00 0.00 53.44 51.24 1ub2 n ALA 213 Cb 0.38 -0.32 -0.11 0.00 0.00 0.00 0.00 19.45 19.40 1ub2 n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ub2 s ALA 214 N -2.20 0.85 -0.72 0.00 0.00 -1.26 -4.64 121.76 113.78 1ub2 s ALA 214 Ca 0.23 -0.99 0.25 0.00 0.00 0.00 0.00 51.96 51.44 1ub2 s ALA 214 Cb 0.20 0.04 0.91 0.00 0.00 0.00 0.00 23.12 24.27 1ub2 s ALA 214 CO 0.02 -0.03 1.75 1.33 0.00 0.00 0.00 175.76 178.83 1ub2 n VAL 215 N 1.00 0.62 -3.80 0.00 0.24 -0.95 -4.89 118.33 110.55 1ub2 n VAL 215 Ca -0.19 -0.02 -0.04 0.00 -2.04 0.00 0.00 64.34 62.04 1ub2 n VAL 215 Cb 0.56 -0.80 -0.01 0.00 -1.47 0.00 0.00 33.84 32.13 1ub2 n VAL 215 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1ub2 s THR 216 N -3.14 0.00 0.09 3.34 -1.32 -1.26 -4.89 115.64 108.45 1ub2 s THR 216 Ca 0.09 -0.74 -0.30 0.00 -1.21 0.00 0.00 61.69 59.53 1ub2 s THR 216 Cb 0.12 -2.21 -0.06 0.00 -1.51 0.00 0.00 72.50 68.84 1ub2 s THR 216 CO 0.49 0.00 1.12 -0.32 -2.21 0.00 0.00 174.62 173.70 1ub2 s MET 217 N -3.13 4.51 0.00 7.08 1.75 -1.26 -3.50 119.30 124.75 1ub2 s MET 217 Ca 0.14 1.69 0.00 0.00 -1.25 0.00 0.00 55.69 56.26 1ub2 s MET 217 Cb -0.03 -3.34 0.00 0.00 2.84 0.00 0.00 34.83 34.30 1ub2 s MET 217 CO 0.04 -0.10 0.00 0.41 -0.65 0.00 0.00 175.02 174.72 1ub2 n GLY 218 N 2.76 0.84 3.62 2.11 0.00 -1.26 -0.70 105.19 112.57 1ub2 n GLY 218 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1ub2 n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub2 s LEU 219 N 0.00 3.19 -0.03 0.99 1.43 -1.23 -2.17 118.68 120.86 1ub2 s LEU 219 Ca 0.00 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1ub2 s LEU 219 Cb 0.00 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1ub2 s LEU 219 CO 0.00 0.15 0.31 0.40 0.23 0.00 0.00 176.35 177.45 1ub2 h ILE 220 N 2.97 0.00 0.00 -0.59 2.04 -1.89 -3.46 117.51 116.58 1ub2 h ILE 220 Ca -0.48 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1ub2 h ILE 220 Cb 1.18 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1ub2 h ILE 220 CO 0.55 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 177.48 1ub2 n TYR 221 N -3.39 -0.02 -4.32 1.37 4.02 -1.26 -4.40 117.16 109.16 1ub2 n TYR 221 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.70 1ub2 n TYR 221 Cb 0.06 0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.29 1ub2 n TYR 221 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1ub2 s VAL 222 N -1.57 1.32 -0.21 -0.72 1.01 -1.26 -2.25 120.40 116.73 1ub2 s VAL 222 Ca 0.00 -2.10 -0.28 0.00 0.00 0.00 0.00 61.98 59.61 1ub2 s VAL 222 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1ub2 s VAL 222 CO 0.00 -0.53 0.97 0.21 0.00 0.00 0.00 175.10 175.74 1ub2 s ASN 223 N -3.28 7.04 0.58 3.32 3.04 -1.26 -4.95 114.94 119.43 1ub2 s ASN 223 Ca 0.23 1.30 0.36 0.00 0.04 0.00 0.00 52.86 54.78 1ub2 s ASN 223 Cb 0.03 -2.51 1.75 0.00 -1.54 0.00 0.00 41.25 38.98 1ub2 s ASN 223 CO 0.06 -0.58 2.14 1.55 -3.04 0.00 0.00 177.10 177.23 1ub2 h PRO 224 N 7.45 0.00 -0.00 0.43 0.13 -2.00 -2.82 132.00 135.19 1ub2 h PRO 224 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1ub2 h PRO 224 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ub2 h PRO 224 CO 0.93 0.04 -0.52 0.39 -0.23 0.00 0.00 178.00 178.60 1ub2 n GLU 225 N -3.24 0.07 0.00 0.86 1.02 -1.26 -1.20 120.64 116.89 1ub2 n GLU 225 Ca -0.01 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1ub2 n GLU 225 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1ub2 n GLU 225 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ub2 n GLY 226 N 1.49 3.30 3.68 0.62 0.00 -1.06 -2.41 105.19 110.81 1ub2 n GLY 226 Ca 0.06 -1.86 -0.49 0.00 0.00 0.00 0.00 46.02 43.73 1ub2 n GLY 226 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ub2 n VAL 227 N -1.46 0.40 -2.33 1.61 0.31 -1.19 -0.32 118.33 115.35 1ub2 n VAL 227 Ca 0.00 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.13 1ub2 n VAL 227 Cb 0.00 -1.69 -0.01 0.00 -0.91 0.00 0.00 33.84 31.23 1ub2 n VAL 227 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ub2 n ASP 228 N 5.60 -4.09 0.00 4.52 8.00 -1.26 -1.15 116.55 128.18 1ub2 n ASP 228 Ca 0.22 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1ub2 n ASP 228 Cb 0.27 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 37.88 1ub2 n ASP 228 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ub2 n GLY 229 N -0.77 0.80 3.39 0.44 0.00 0.57 -4.97 105.19 104.64 1ub2 n GLY 229 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1ub2 n GLY 229 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ub2 s ASN 230 N -2.68 5.37 -0.15 1.61 0.01 -0.30 -4.64 114.94 114.16 1ub2 s ASN 230 Ca 0.00 -0.65 -0.29 0.00 -0.71 0.00 0.00 52.86 51.21 1ub2 s ASN 230 Cb 0.00 -1.95 -0.06 0.00 0.41 0.00 0.00 41.25 39.65 1ub2 s ASN 230 CO 0.00 -0.21 2.10 -2.16 -1.51 0.00 0.00 177.10 175.32 1ub2 s PRO 231 N 1.55 3.47 -0.17 -0.60 0.04 -1.01 -3.14 135.00 135.14 1ub2 s PRO 231 Ca 0.03 2.16 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 1ub2 s PRO 231 Cb -0.17 -4.29 0.08 0.00 0.04 0.00 0.00 34.50 30.16 1ub2 s PRO 231 CO 0.05 -1.72 0.35 0.34 0.04 0.00 0.00 177.00 176.06 1ub2 s ASP 232 N 6.86 0.05 0.55 6.66 -1.08 -1.26 -5.01 116.67 123.44 1ub2 s ASP 232 Ca 0.95 0.76 0.31 0.00 -0.52 0.00 0.00 52.55 54.05 1ub2 s ASP 232 Cb -0.35 1.06 1.57 0.00 -1.46 0.00 0.00 42.92 43.73 1ub2 s ASP 232 CO 0.37 -0.24 2.09 1.55 0.52 0.00 0.00 175.17 179.46 1ub2 h PRO 233 N 8.22 0.00 0.15 4.34 0.13 -1.92 -1.51 132.00 141.41 1ub2 h PRO 233 Ca -0.15 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.68 1ub2 h PRO 233 Cb 1.11 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.27 1ub2 h PRO 233 CO 0.14 0.08 -1.29 -0.07 -0.23 0.00 0.00 178.00 176.63 1ub2 h LEU 234 N 0.00 0.74 -0.17 1.56 3.38 -1.93 -1.36 115.31 117.53 1ub2 h LEU 234 Ca -0.00 -0.73 -0.15 0.00 0.09 0.00 0.00 57.88 57.09 1ub2 h LEU 234 Cb 0.34 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1ub2 h LEU 234 CO 0.01 1.55 -0.72 0.11 0.09 0.00 0.00 178.44 179.49 1ub2 h LYS 235 N 0.19 0.00 -0.36 1.13 1.57 -1.92 -2.98 116.57 114.21 1ub2 h LYS 235 Ca -0.19 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.48 1ub2 h LYS 235 Cb 1.98 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.28 1ub2 h LYS 235 CO 0.24 0.72 -0.20 1.15 -0.57 0.00 0.00 179.45 180.78 1ub2 h THR 236 N 0.00 1.29 -0.86 -0.16 2.02 -1.33 -2.67 112.91 111.21 1ub2 h THR 236 Ca -0.01 -1.33 0.10 0.00 0.77 0.00 0.00 66.41 65.94 1ub2 h THR 236 Cb 1.47 1.38 -0.06 0.00 -1.74 0.00 0.00 68.15 69.20 1ub2 h THR 236 CO 0.09 0.44 0.56 0.00 0.37 0.00 0.00 175.52 176.98 1ub2 h ALA 237 N 0.78 1.71 -0.76 6.16 0.00 -1.12 -0.92 119.26 125.11 1ub2 h ALA 237 Ca 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ub2 h ALA 237 Cb 0.75 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ub2 h ALA 237 CO 0.06 0.11 0.36 1.25 0.00 0.00 0.00 179.25 181.03 1ub2 h HIS 238 N 0.80 1.10 -0.34 0.00 6.17 -1.33 -1.37 115.15 120.19 1ub2 h HIS 238 Ca 0.40 -0.06 -0.12 0.00 0.71 0.00 0.00 60.37 61.30 1ub2 h HIS 238 Cb 0.46 -0.34 -0.01 0.00 2.52 0.00 0.00 27.41 30.04 1ub2 h HIS 238 CO -0.00 0.81 -0.29 -0.44 0.71 0.00 0.00 177.93 178.72 1ub2 h ASP 239 N 1.07 0.74 -0.49 3.26 5.19 -1.11 -1.85 116.42 123.23 1ub2 h ASP 239 Ca 0.26 -0.29 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 1ub2 h ASP 239 Cb 0.13 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 1ub2 h ASP 239 CO -0.03 0.98 0.14 0.58 -3.12 0.00 0.00 179.24 177.79 1ub2 h VAL 240 N 0.61 1.23 -0.41 -1.35 2.07 -0.93 0.73 116.25 118.21 1ub2 h VAL 240 Ca 0.07 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1ub2 h VAL 240 Cb 0.80 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1ub2 h VAL 240 CO 0.07 0.29 0.03 -0.09 0.02 0.00 0.00 177.57 177.89 1ub2 h ARG 241 N 0.67 0.70 0.15 1.57 2.43 -1.13 -1.73 114.38 117.03 1ub2 h ARG 241 Ca 0.16 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1ub2 h ARG 241 Cb 0.30 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1ub2 h ARG 241 CO -0.00 0.77 -0.07 0.28 -1.51 0.00 0.00 179.97 179.43 1ub2 h VAL 242 N 0.54 0.98 -0.38 0.20 2.07 -1.21 -2.20 116.25 116.26 1ub2 h VAL 242 Ca 0.12 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1ub2 h VAL 242 Cb 0.43 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1ub2 h VAL 242 CO 0.02 0.15 0.10 0.71 0.02 0.00 0.00 177.57 178.57 1ub2 h THR 243 N -0.51 1.22 -0.26 2.57 1.35 -0.89 -2.01 112.91 114.38 1ub2 h THR 243 Ca -0.02 -0.74 -0.04 0.00 -0.55 0.00 0.00 66.41 65.05 1ub2 h THR 243 Cb 0.40 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 1ub2 h THR 243 CO 0.03 0.26 -0.03 -0.26 -0.25 0.00 0.00 175.52 175.27 1ub2 h PHE 244 N 0.47 0.42 -0.50 4.73 -1.00 -1.39 -1.73 116.94 117.94 1ub2 h PHE 244 Ca 0.12 -0.04 -0.09 0.00 2.81 0.00 0.00 57.97 60.77 1ub2 h PHE 244 Cb 0.29 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 1ub2 h PHE 244 CO 0.01 0.45 -0.05 0.00 -1.61 0.00 0.00 178.31 177.11 1ub2 h ALA 245 N 1.58 0.96 0.00 2.45 0.00 -1.10 0.15 119.26 123.31 1ub2 h ALA 245 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ub2 h ALA 245 Cb 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ub2 h ALA 245 CO 0.01 0.62 0.00 0.54 0.00 0.00 0.00 179.25 180.42 1ub2 n ARG 246 N -4.18 0.31 -0.52 0.00 1.74 -0.69 -1.13 116.66 112.20 1ub2 n ARG 246 Ca 0.02 0.10 0.05 0.00 -0.77 0.00 0.00 57.85 57.25 1ub2 n ARG 246 Cb 0.35 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.52 1ub2 n ARG 246 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1ub2 n MET 247 N -1.20 2.41 -2.15 5.56 2.81 -0.17 -0.97 117.12 123.41 1ub2 n MET 247 Ca 0.09 -2.92 -0.21 0.00 -1.81 0.00 0.00 57.70 52.85 1ub2 n MET 247 Cb 0.10 -1.80 -0.03 0.00 -0.71 0.00 0.00 33.22 30.78 1ub2 n MET 247 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ub2 n ALA 248 N -0.80 -0.53 -3.04 3.04 0.00 -0.28 -4.87 120.51 114.03 1ub2 n ALA 248 Ca 0.25 0.22 -0.32 0.00 0.00 0.00 0.00 53.44 53.58 1ub2 n ALA 248 Cb 0.91 -2.14 -0.15 0.00 0.00 0.00 0.00 19.45 18.07 1ub2 n ALA 248 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1ub2 s MET 249 N -4.64 3.11 0.54 0.00 -1.94 -0.14 -4.99 119.30 111.24 1ub2 s MET 249 Ca 0.00 -0.77 -0.00 0.00 -1.71 0.00 0.00 55.69 53.20 1ub2 s MET 249 Cb 0.00 -2.45 0.11 0.00 2.01 0.00 0.00 34.83 34.50 1ub2 s MET 249 CO 0.00 0.25 0.74 0.27 -0.01 0.00 0.00 175.02 176.27 1ub2 n ASN 250 N 3.36 1.00 -0.18 3.03 2.04 -1.26 -3.26 115.26 119.98 1ub2 n ASN 250 Ca -0.18 -1.84 -0.00 0.00 -0.44 0.00 0.00 54.58 52.11 1ub2 n ASN 250 Cb 0.53 -0.48 0.09 0.00 -2.53 0.00 0.00 39.78 37.39 1ub2 n ASN 250 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1ub2 h ASP 251 N -0.44 -0.06 -0.08 0.53 3.45 -1.99 -0.55 116.42 117.28 1ub2 h ASP 251 Ca -0.24 0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 1ub2 h ASP 251 Cb 0.90 0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 39.84 1ub2 h ASP 251 CO 0.26 -0.01 0.03 -0.08 -1.57 0.00 0.00 179.24 177.87 1ub2 h GLU 252 N 0.21 0.13 -0.52 3.56 4.81 -1.98 -1.61 114.58 119.19 1ub2 h GLU 252 Ca 0.29 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1ub2 h GLU 252 Cb 0.43 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1ub2 h GLU 252 CO -0.40 0.28 0.30 0.93 -0.73 0.00 0.00 179.01 179.39 1ub2 h GLU 253 N -0.05 0.70 -0.03 1.92 5.08 -1.87 -1.33 114.58 119.00 1ub2 h GLU 253 Ca 0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1ub2 h GLU 253 Cb 0.20 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ub2 h GLU 253 CO -0.00 0.50 -0.01 1.15 -1.00 0.00 0.00 179.01 179.65 1ub2 h THR 254 N 0.71 1.31 -0.67 1.13 2.02 -0.90 0.18 112.91 116.69 1ub2 h THR 254 Ca 0.19 -0.94 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 1ub2 h THR 254 Cb -0.01 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1ub2 h THR 254 CO -0.03 0.25 0.23 0.58 0.37 0.00 0.00 175.52 176.92 1ub2 h VAL 255 N -0.30 1.25 0.08 3.16 2.07 -1.17 -0.76 116.25 120.57 1ub2 h VAL 255 Ca 0.01 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1ub2 h VAL 255 Cb 0.41 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1ub2 h VAL 255 CO 0.00 0.32 -0.08 0.00 0.02 0.00 0.00 177.57 177.84 1ub2 h ALA 256 N 1.10 -0.15 -0.12 1.67 0.00 -1.16 -1.12 119.26 119.48 1ub2 h ALA 256 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ub2 h ALA 256 Cb 0.26 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ub2 h ALA 256 CO -0.01 -0.60 0.08 -0.07 0.00 0.00 0.00 179.25 178.65 1ub2 h LEU 257 N -0.17 0.14 0.17 0.00 3.38 -0.44 0.14 115.31 118.52 1ub2 h LEU 257 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ub2 h LEU 257 Cb 0.17 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ub2 h LEU 257 CO -0.02 0.11 -0.18 0.74 0.09 0.00 0.00 178.44 179.18 1ub2 h THR 258 N 0.15 0.60 -0.36 0.22 2.02 -1.02 0.35 112.91 114.87 1ub2 h THR 258 Ca 0.04 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.16 1ub2 h THR 258 Cb -0.01 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1ub2 h THR 258 CO -0.01 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.88 1ub2 h ALA 259 N 0.39 0.48 -0.42 6.16 0.00 -1.17 -1.81 119.26 122.89 1ub2 h ALA 259 Ca 0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1ub2 h ALA 259 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ub2 h ALA 259 CO -0.06 0.26 -0.00 0.78 0.00 0.00 0.00 179.25 180.23 1ub2 h GLY 260 N 0.45 0.74 0.75 0.00 0.00 -0.60 -1.63 103.07 102.78 1ub2 h GLY 260 Ca 0.10 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1ub2 h GLY 260 CO 0.02 0.44 -0.02 -1.33 0.00 0.00 0.00 176.54 175.65 1ub2 h GLY 261 N 0.93 0.26 0.05 4.60 0.00 -0.16 -3.16 103.07 105.60 1ub2 h GLY 261 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ub2 h GLY 261 CO 0.02 0.19 0.00 1.42 0.00 0.00 0.00 176.54 178.17 1ub2 n HIS 262 N -4.74 0.08 0.31 5.60 8.25 -0.69 -3.34 115.22 120.68 1ub2 n HIS 262 Ca -0.06 -0.04 0.16 0.00 -0.26 0.00 0.00 57.72 57.52 1ub2 n HIS 262 Cb 0.24 0.00 0.63 0.00 1.12 0.00 0.00 29.99 31.98 1ub2 n HIS 262 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1ub2 h THR 263 N 0.58 0.00 -3.64 1.59 2.02 -1.26 -3.40 112.91 108.81 1ub2 h THR 263 Ca 0.00 -0.46 -0.32 0.00 0.77 0.00 0.00 66.41 66.40 1ub2 h THR 263 Cb 0.13 1.40 -0.15 0.00 -1.74 0.00 0.00 68.15 67.80 1ub2 h THR 263 CO 0.00 0.00 -0.66 0.68 0.37 0.00 0.00 175.52 175.91 1ub2 s VAL 264 N -3.58 0.78 0.00 3.16 -7.23 -1.21 -4.63 120.40 107.69 1ub2 s VAL 264 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1ub2 s VAL 264 Cb 0.09 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.82 1ub2 s VAL 264 CO 0.51 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1ub2 n GLY 265 N -0.30 -1.68 3.75 2.32 0.00 0.65 -4.91 105.19 105.03 1ub2 n GLY 265 Ca -0.06 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1ub2 n GLY 265 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ub2 s LYS 266 N 0.00 2.19 -0.07 1.61 -2.85 -1.26 -4.34 119.74 115.03 1ub2 s LYS 266 Ca 0.00 -1.50 -0.04 0.00 -1.00 0.00 0.00 55.97 53.43 1ub2 s LYS 266 Cb 0.00 0.60 -0.04 0.00 -2.06 0.00 0.00 37.83 36.33 1ub2 s LYS 266 CO 0.00 -1.01 0.13 0.00 0.10 0.00 0.00 175.35 174.58 1ub2 s HIS 268 N -1.14 2.86 -0.38 0.00 0.09 -0.41 -2.42 115.29 113.90 1ub2 s HIS 268 Ca 0.20 -1.46 0.10 0.00 -0.00 0.00 0.00 55.06 53.90 1ub2 s HIS 268 Cb -0.12 -1.98 0.37 0.00 -0.00 0.00 0.00 32.58 30.85 1ub2 s HIS 268 CO 0.10 -0.73 1.38 0.41 -0.00 0.00 0.00 174.74 175.90 1ub2 n GLY 269 N 4.67 1.39 3.01 -2.22 0.00 -0.03 -0.36 105.19 111.64 1ub2 n GLY 269 Ca -0.20 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 1ub2 n GLY 269 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ub2 n ASN 270 N -0.83 5.55 0.00 1.61 5.15 -1.07 -2.79 115.26 122.89 1ub2 n ASN 270 Ca -0.08 -3.30 0.00 0.00 -0.60 0.00 0.00 54.58 50.60 1ub2 n ASN 270 Cb 0.84 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 1ub2 n ASN 270 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ub2 n GLY 271 N 1.67 -0.77 3.71 8.20 0.00 -1.26 -4.51 105.19 112.23 1ub2 n GLY 271 Ca 0.26 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 1ub2 n GLY 271 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ub2 s ASN 272 N 0.00 7.27 0.08 1.61 3.84 -1.26 -3.53 114.94 122.95 1ub2 s ASN 272 Ca 0.00 1.53 -0.14 0.00 0.21 0.00 0.00 52.86 54.46 1ub2 s ASN 272 Cb 0.00 -2.52 -0.19 0.00 -0.55 0.00 0.00 41.25 37.98 1ub2 s ASN 272 CO 0.00 -0.19 1.24 0.00 -2.79 0.00 0.00 177.10 175.36 1ub2 h ALA 273 N 6.65 0.22 0.00 1.71 0.00 -1.94 -3.33 119.26 122.56 1ub2 h ALA 273 Ca -0.41 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1ub2 h ALA 273 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ub2 h ALA 273 CO 0.75 0.65 0.17 0.00 0.00 0.00 0.00 179.25 180.82 1ub2 h ALA 274 N 0.47 1.12 -0.00 0.00 0.00 -1.97 1.38 119.26 120.28 1ub2 h ALA 274 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ub2 h ALA 274 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1ub2 h ALA 274 CO 0.18 -0.12 -0.07 1.28 0.00 0.00 0.00 179.25 180.51 1ub2 n LEU 275 N -2.34 0.08 -4.75 0.00 4.77 -1.25 -4.85 117.00 108.66 1ub2 n LEU 275 Ca -0.01 0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 55.97 1ub2 n LEU 275 Cb 0.20 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1ub2 n LEU 275 CO 0.10 0.02 0.90 -0.76 -1.33 0.00 0.00 177.39 176.31 1ub2 s LEU 276 N -2.98 4.46 1.17 2.23 1.43 0.47 -4.50 118.68 120.97 1ub2 s LEU 276 Ca 0.14 2.35 -0.19 0.00 -1.03 0.00 0.00 54.13 55.40 1ub2 s LEU 276 Cb 0.19 -3.62 0.28 0.00 0.03 0.00 0.00 46.19 43.07 1ub2 s LEU 276 CO 0.55 -0.38 1.17 -0.83 0.23 0.00 0.00 176.35 177.09 1ub2 s GLY 277 N -0.16 1.64 0.66 -3.19 0.00 -0.72 -4.90 107.32 100.64 1ub2 s GLY 277 Ca 0.51 -1.08 -0.17 0.00 0.00 0.00 0.00 44.72 43.97 1ub2 s GLY 277 CO 0.41 -0.19 1.08 -1.05 0.00 0.00 0.00 173.10 173.35 1ub2 n PRO 278 N -4.60 0.84 -0.83 2.90 -0.02 -1.26 -3.63 135.00 128.40 1ub2 n PRO 278 Ca 0.15 0.34 -0.30 0.00 -2.02 0.00 0.00 63.50 61.66 1ub2 n PRO 278 Cb 0.60 -2.31 0.17 0.00 -0.02 0.00 0.00 33.50 31.93 1ub2 n PRO 278 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1ub2 s GLU 279 N -3.16 0.84 0.22 -0.52 1.03 -1.26 -1.31 118.70 114.54 1ub2 s GLU 279 Ca 0.78 1.23 -0.20 0.00 0.03 0.00 0.00 54.97 56.81 1ub2 s GLU 279 Cb -0.38 -1.73 0.18 0.00 -0.80 0.00 0.00 34.13 31.40 1ub2 s GLU 279 CO 0.45 -2.65 1.55 -1.35 -1.33 0.00 0.00 175.26 171.93 1ub2 h PRO 280 N -1.87 -0.00 0.00 -4.83 0.11 -1.81 -0.26 132.00 123.34 1ub2 h PRO 280 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ub2 h PRO 280 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ub2 h PRO 280 CO 0.47 -0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.19 1ub2 h GLU 281 N -0.00 0.00 -0.02 1.05 4.39 -1.89 -2.28 114.58 115.82 1ub2 h GLU 281 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1ub2 h GLU 281 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1ub2 h GLU 281 CO -0.98 0.00 -0.08 0.41 -1.16 0.00 0.00 179.01 177.21 1ub2 n GLY 282 N -0.58 0.49 3.88 -3.84 0.00 -0.19 -4.99 105.19 99.97 1ub2 n GLY 282 Ca -0.01 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1ub2 n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub2 s ALA 283 N -1.77 3.27 0.60 4.61 0.00 -0.68 -4.79 121.76 122.99 1ub2 s ALA 283 Ca 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 1ub2 s ALA 283 Cb 0.17 -2.81 0.03 0.00 0.00 0.00 0.00 23.12 20.50 1ub2 s ALA 283 CO 0.30 -0.42 0.88 0.34 0.00 0.00 0.00 175.76 176.86 1ub2 s ASP 284 N -3.94 5.31 0.56 0.00 -1.08 -1.26 -4.97 116.67 111.30 1ub2 s ASP 284 Ca 0.51 0.42 0.31 0.00 -0.52 0.00 0.00 52.55 53.27 1ub2 s ASP 284 Cb -0.11 -1.31 1.46 0.00 -1.46 0.00 0.00 42.92 41.50 1ub2 s ASP 284 CO 0.45 -1.20 1.86 -0.37 0.52 0.00 0.00 175.17 176.43 1ub2 h VAL 285 N -0.18 0.44 0.00 1.11 -1.51 -1.97 -1.77 116.25 112.37 1ub2 h VAL 285 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1ub2 h VAL 285 Cb 1.28 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1ub2 h VAL 285 CO 0.58 0.00 0.00 1.05 -1.23 0.00 0.00 177.57 177.97 1ub2 h GLU 286 N 0.00 0.00 -0.05 5.19 9.09 -2.00 -2.69 114.58 124.11 1ub2 h GLU 286 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.76 1ub2 h GLU 286 Cb 1.60 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.70 1ub2 h GLU 286 CO -0.00 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.81 1ub2 n ASP 287 N -2.95 0.30 -2.75 3.06 8.00 -0.66 -4.90 116.55 116.65 1ub2 n ASP 287 Ca -0.01 -1.84 -0.18 0.00 0.71 0.00 0.00 54.79 53.47 1ub2 n ASP 287 Cb 0.15 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1ub2 n ASP 287 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ub2 n GLN 288 N -0.42 -2.88 -0.98 -1.24 6.02 -1.02 -0.02 117.38 116.84 1ub2 n GLN 288 Ca 0.06 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 1ub2 n GLN 288 Cb 0.07 -5.37 0.00 0.00 1.02 0.00 0.00 30.24 25.96 1ub2 n GLN 288 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ub2 n GLY 289 N -1.05 0.84 3.97 1.08 0.00 -1.26 -5.02 105.19 103.76 1ub2 n GLY 289 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1ub2 n GLY 289 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub2 s LEU 290 N 0.00 3.10 0.37 0.99 1.43 0.97 -4.81 118.68 120.73 1ub2 s LEU 290 Ca 0.00 -0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1ub2 s LEU 290 Cb 0.00 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.62 1ub2 s LEU 290 CO 0.00 -1.46 0.54 -0.83 0.23 0.00 0.00 176.35 174.83 1ub2 s GLY 291 N -4.54 1.41 -1.41 -3.19 0.00 -1.26 -4.28 107.32 94.04 1ub2 s GLY 291 Ca 0.61 -1.45 -0.07 0.00 0.00 0.00 0.00 44.72 43.80 1ub2 s GLY 291 CO 0.41 -0.91 0.55 0.79 0.00 0.00 0.00 173.10 173.95 1ub2 n TRP 292 N -0.59 -1.89 -2.96 1.90 8.01 -0.43 -4.81 117.44 116.68 1ub2 n TRP 292 Ca -0.01 0.50 -0.41 0.00 -1.31 0.00 0.00 57.50 56.28 1ub2 n TRP 292 Cb 0.61 -3.70 -0.04 0.00 -2.01 0.00 0.00 31.31 26.17 1ub2 n TRP 292 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 1ub2 s ILE 293 N -3.05 4.97 -0.30 -0.99 1.01 -1.26 -4.49 121.20 117.09 1ub2 s ILE 293 Ca 0.35 1.58 -0.19 0.00 0.00 0.00 0.00 60.65 62.39 1ub2 s ILE 293 Cb -0.17 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 1ub2 s ILE 293 CO 0.44 0.17 0.55 0.21 0.00 0.00 0.00 174.94 176.31 1ub2 s ASN 294 N 0.94 6.42 0.00 3.58 3.84 -1.26 -1.75 114.94 126.71 1ub2 s ASN 294 Ca 0.40 0.34 0.08 0.00 0.21 0.00 0.00 52.86 53.89 1ub2 s ASN 294 Cb -0.18 -2.29 -0.08 0.00 -0.55 0.00 0.00 41.25 38.15 1ub2 s ASN 294 CO 0.18 -0.40 0.38 0.29 -2.79 0.00 0.00 177.10 174.76 1ub2 n LYS 295 N 5.71 4.01 -0.04 0.43 5.02 -1.26 -4.52 118.16 127.50 1ub2 n LYS 295 Ca -0.03 -0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.05 1ub2 n LYS 295 Cb 0.49 -0.91 -0.13 0.00 -0.02 0.00 0.00 35.03 34.46 1ub2 n LYS 295 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1ub2 h THR 296 N 0.09 1.70 -4.81 -0.18 2.02 -1.90 -3.48 112.91 106.37 1ub2 h THR 296 Ca 0.00 -2.27 -0.40 0.00 0.77 0.00 0.00 66.41 64.51 1ub2 h THR 296 Cb 0.21 3.23 -0.14 0.00 -1.74 0.00 0.00 68.15 69.71 1ub2 h THR 296 CO 0.00 0.60 -0.52 0.00 0.37 0.00 0.00 175.52 175.97 1ub2 s GLN 297 N -2.47 1.60 0.18 6.66 -2.07 -1.26 -5.11 119.66 117.19 1ub2 s GLN 297 Ca -0.18 -1.91 -0.33 0.00 -1.82 0.00 0.00 55.36 51.12 1ub2 s GLN 297 Cb -0.02 0.31 -0.14 0.00 -1.09 0.00 0.00 33.01 32.08 1ub2 s GLN 297 CO 0.72 -0.58 1.57 0.45 -1.32 0.00 0.00 175.29 176.13 1ub2 n SER 298 N -1.19 3.16 -0.23 12.60 2.88 -1.26 -4.72 113.62 124.86 1ub2 n SER 298 Ca 0.06 1.09 0.07 0.00 -1.33 0.00 0.00 58.87 58.76 1ub2 n SER 298 Cb 0.63 -1.44 0.10 0.00 -0.75 0.00 0.00 64.21 62.75 1ub2 n SER 298 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ub2 n GLY 299 N 3.29 3.60 3.49 0.46 0.00 -1.26 -4.80 105.19 109.98 1ub2 n GLY 299 Ca 0.16 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 1ub2 n GLY 299 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ub2 s ILE 300 N -2.04 1.56 0.00 -0.61 -4.36 -1.26 -3.81 121.20 110.68 1ub2 s ILE 300 Ca 0.23 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 1ub2 s ILE 300 Cb 0.21 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 41.18 1ub2 s ILE 300 CO 0.02 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.71 1ub2 n GLY 301 N -0.73 2.13 0.03 6.27 0.00 -1.26 -1.77 105.19 109.86 1ub2 n GLY 301 Ca -0.04 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.73 1ub2 n GLY 301 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ub2 n ARG 302 N 13.01 0.06 -0.28 1.61 1.85 -1.26 -2.74 116.66 128.91 1ub2 n ARG 302 Ca 0.00 0.14 0.09 0.00 -1.00 0.00 0.00 57.85 57.08 1ub2 n ARG 302 Cb 0.00 -1.59 0.24 0.00 -1.05 0.00 0.00 32.46 30.06 1ub2 n ARG 302 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1ub2 n ASN 303 N -1.70 2.92 -4.76 2.89 3.02 -0.73 -4.60 115.26 112.31 1ub2 n ASN 303 Ca 0.05 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.20 1ub2 n ASN 303 Cb 0.30 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 1ub2 n ASN 303 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ub2 s ALA 304 N -1.27 3.47 -0.11 5.41 0.00 -1.11 -4.16 121.76 123.99 1ub2 s ALA 304 Ca 0.36 1.10 -0.00 0.00 0.00 0.00 0.00 51.96 53.42 1ub2 s ALA 304 Cb 0.19 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1ub2 s ALA 304 CO 0.25 -0.45 -0.08 0.08 0.00 0.00 0.00 175.76 175.55 1ub2 s VAL 305 N -0.81 1.07 0.00 0.00 1.01 -1.26 -2.60 120.40 117.81 1ub2 s VAL 305 Ca 0.49 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1ub2 s VAL 305 Cb -0.36 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1ub2 s VAL 305 CO 0.45 0.37 0.00 0.41 0.00 0.00 0.00 175.10 176.33 1ub2 n THR 306 N 4.87 0.00 0.13 3.92 -1.04 0.51 -4.89 114.28 117.77 1ub2 n THR 306 Ca -0.13 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.87 1ub2 n THR 306 Cb 0.50 -0.14 0.09 0.00 -1.82 0.00 0.00 70.33 68.96 1ub2 n THR 306 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1ub2 h SER 307 N 0.00 0.00 0.00 8.00 4.64 -1.89 -3.47 113.55 120.83 1ub2 h SER 307 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ub2 h SER 307 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ub2 h SER 307 CO 0.00 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 1ub2 n GLY 308 N 0.76 2.85 3.89 -0.77 0.00 -0.82 -5.03 105.19 106.08 1ub2 n GLY 308 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ub2 n GLY 308 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub2 s LEU 309 N 0.00 3.56 -0.04 0.99 1.43 -1.25 -4.23 118.68 119.14 1ub2 s LEU 309 Ca 0.00 1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 54.23 1ub2 s LEU 309 Cb 0.00 -4.10 0.03 0.00 0.03 0.00 0.00 46.19 42.14 1ub2 s LEU 309 CO 0.00 -0.62 0.02 -0.70 0.23 0.00 0.00 176.35 175.28 1ub2 s GLU 310 N -4.65 0.19 0.00 1.70 2.56 -1.26 -0.85 118.70 116.39 1ub2 s GLU 310 Ca 0.51 0.18 0.00 0.00 0.00 0.00 0.00 54.97 55.66 1ub2 s GLU 310 Cb -0.10 -0.53 0.00 0.00 2.00 0.00 0.00 34.13 35.50 1ub2 s GLU 310 CO 0.44 -0.22 0.00 0.41 -0.56 0.00 0.00 175.26 175.33 1ub2 n GLY 311 N 4.61 3.06 3.40 -1.50 0.00 -1.02 -4.82 105.19 108.93 1ub2 n GLY 311 Ca -0.18 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 1ub2 n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub2 s ALA 312 N -1.93 2.43 0.21 4.61 0.00 -0.82 -0.45 121.76 125.81 1ub2 s ALA 312 Ca 0.00 -1.38 0.17 0.00 0.00 0.00 0.00 51.96 50.75 1ub2 s ALA 312 Cb 0.00 -0.48 0.62 0.00 0.00 0.00 0.00 23.12 23.26 1ub2 s ALA 312 CO 0.00 0.55 1.72 -1.49 0.00 0.00 0.00 175.76 176.54 1ub2 h TRP 313 N 4.11 0.00 -3.17 0.00 6.55 -1.76 -1.80 115.95 119.89 1ub2 h TRP 313 Ca -0.50 0.00 -0.40 0.00 0.95 0.00 0.00 58.89 58.95 1ub2 h TRP 313 Cb 1.16 0.00 -0.15 0.00 -0.86 0.00 0.00 29.16 29.31 1ub2 h TRP 313 CO 0.57 0.43 -0.73 0.95 -1.05 0.00 0.00 178.44 178.61 1ub2 s THR 314 N -3.65 1.46 0.21 1.49 -4.23 -1.26 -4.74 115.64 104.91 1ub2 s THR 314 Ca -0.00 -2.09 -0.10 0.00 -1.18 0.00 0.00 61.69 58.31 1ub2 s THR 314 Cb 0.12 -1.90 0.15 0.00 1.34 0.00 0.00 72.50 72.20 1ub2 s THR 314 CO 0.70 -0.64 1.84 -0.65 -0.54 0.00 0.00 174.62 175.34 1ub2 h PRO 315 N 2.76 1.03 -3.06 3.99 0.11 -1.89 -3.32 132.00 131.62 1ub2 h PRO 315 Ca -0.38 -0.11 -0.68 0.00 0.11 0.00 0.00 66.00 64.95 1ub2 h PRO 315 Cb 1.21 -0.21 -0.37 0.00 0.11 0.00 0.00 31.00 31.73 1ub2 h PRO 315 CO 0.61 0.75 -0.18 0.72 -0.21 0.00 0.00 178.00 179.69 1ub2 n HIS 316 N -4.48 3.80 0.97 0.65 8.25 -1.26 -4.26 115.22 118.89 1ub2 n HIS 316 Ca 0.07 -4.04 0.09 0.00 -0.26 0.00 0.00 57.72 53.58 1ub2 n HIS 316 Cb 0.07 -0.97 0.49 0.00 1.12 0.00 0.00 29.99 30.71 1ub2 n HIS 316 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ub2 n PRO 317 N 1.92 0.39 -0.33 -0.41 -0.04 -1.25 -2.27 135.00 133.01 1ub2 n PRO 317 Ca 0.23 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 1ub2 n PRO 317 Cb 0.37 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.63 1ub2 n PRO 317 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ub2 n THR 318 N -1.16 0.86 -3.83 0.52 -2.24 -1.26 -0.25 114.28 106.91 1ub2 n THR 318 Ca 0.11 -0.92 -0.12 0.00 -2.27 0.00 0.00 64.05 60.85 1ub2 n THR 318 Cb 0.11 0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 68.83 1ub2 n THR 318 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ub2 s GLN 319 N -1.14 0.31 0.21 -0.78 -2.07 -0.96 -4.76 119.66 110.47 1ub2 s GLN 319 Ca 0.46 0.01 -0.30 0.00 -1.82 0.00 0.00 55.36 53.71 1ub2 s GLN 319 Cb 0.25 0.14 -0.09 0.00 -1.09 0.00 0.00 33.01 32.21 1ub2 s GLN 319 CO 0.33 -0.06 1.41 -0.46 -1.32 0.00 0.00 175.29 175.19 1ub2 s TRP 320 N -0.45 3.12 0.00 9.60 -0.11 -0.15 -4.73 118.94 126.22 1ub2 s TRP 320 Ca -0.05 1.04 0.00 0.00 1.22 0.00 0.00 56.10 58.30 1ub2 s TRP 320 Cb -0.04 -3.75 0.00 0.00 -1.50 0.00 0.00 33.47 28.18 1ub2 s TRP 320 CO 0.01 -2.48 0.00 -0.40 -4.62 0.00 0.00 176.95 169.46 1ub2 n ASP 321 N 2.76 0.00 -1.14 5.86 3.85 -1.26 -4.91 116.55 121.71 1ub2 n ASP 321 Ca 0.08 -0.51 0.02 0.00 -0.71 0.00 0.00 54.79 53.67 1ub2 n ASP 321 Cb 0.41 0.00 0.25 0.00 -1.35 0.00 0.00 41.12 40.43 1ub2 n ASP 321 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1ub2 n ASN 322 N -0.32 3.61 0.26 -1.12 3.02 -1.26 -4.70 115.26 114.75 1ub2 n ASN 322 Ca 0.00 -3.27 0.14 0.00 -0.03 0.00 0.00 54.58 51.41 1ub2 n ASN 322 Cb 0.00 -0.60 0.67 0.00 -0.61 0.00 0.00 39.78 39.23 1ub2 n ASN 322 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ub2 h GLY 323 N 1.67 0.00 0.99 7.41 0.00 -1.93 -1.58 103.07 109.64 1ub2 h GLY 323 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 1ub2 h GLY 323 CO 0.36 0.00 -0.25 -1.82 0.00 0.00 0.00 176.54 174.82 1ub2 h TYR 324 N 0.00 -0.66 0.04 5.60 3.20 -1.84 -3.26 116.97 120.06 1ub2 h TYR 324 Ca -0.00 -0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.55 1ub2 h TYR 324 Cb 0.48 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 1ub2 h TYR 324 CO 0.00 -0.40 -1.66 0.74 -1.64 0.00 0.00 178.16 175.20 1ub2 h PHE 325 N -0.73 0.16 -2.12 -3.82 -1.00 -1.61 0.22 116.94 108.04 1ub2 h PHE 325 Ca -0.07 -0.12 -0.51 0.00 2.81 0.00 0.00 57.97 60.08 1ub2 h PHE 325 Cb 0.55 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.08 1ub2 h PHE 325 CO -0.03 1.21 1.35 0.00 -1.61 0.00 0.00 178.31 179.23 1ub2 s ALA 326 N -2.60 2.29 0.13 2.45 0.00 -0.59 -3.03 121.76 120.41 1ub2 s ALA 326 Ca -0.08 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 51.53 1ub2 s ALA 326 Cb 0.08 -4.24 0.20 0.00 0.00 0.00 0.00 23.12 19.16 1ub2 s ALA 326 CO 0.82 -3.65 0.29 0.28 0.00 0.00 0.00 175.76 173.49 1ub2 n VAL 327 N 7.31 0.00 -1.53 0.00 0.31 -1.26 -4.55 118.33 118.61 1ub2 n VAL 327 Ca 0.22 0.28 -0.15 0.00 -0.01 0.00 0.00 64.34 64.68 1ub2 n VAL 327 Cb 0.51 -0.50 0.11 0.00 -0.91 0.00 0.00 33.84 33.05 1ub2 n VAL 327 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ub2 n SER 329 N -3.43 0.01 0.02 0.00 7.64 0.77 -2.87 113.62 115.75 1ub2 n SER 329 Ca 0.09 0.71 -0.22 0.00 1.01 0.00 0.00 58.87 60.47 1ub2 n SER 329 Cb 0.31 -0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 63.01 1ub2 n SER 329 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ub2 h LEU 330 N 0.00 0.45 0.00 -3.43 3.38 -1.78 -3.41 115.31 110.52 1ub2 h LEU 330 Ca 0.66 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1ub2 h LEU 330 Cb 2.61 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 43.21 1ub2 h LEU 330 CO -0.03 1.84 -0.64 0.59 0.09 0.00 0.00 178.44 180.29 1ub2 n ASN 331 N -3.54 0.61 -4.72 -0.43 3.02 -1.23 -4.85 115.26 104.12 1ub2 n ASN 331 Ca -0.30 -0.05 -0.23 0.00 -0.03 0.00 0.00 54.58 53.97 1ub2 n ASN 331 Cb 1.04 0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 40.43 1ub2 n ASN 331 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ub2 s TYR 332 N -3.11 2.86 0.06 3.10 4.12 -0.48 -4.96 117.35 118.95 1ub2 s TYR 332 Ca 0.08 -0.18 0.01 0.00 0.02 0.00 0.00 57.07 57.00 1ub2 s TYR 332 Cb 0.15 -1.28 -0.04 0.00 -1.52 0.00 0.00 41.96 39.27 1ub2 s TYR 332 CO 0.72 0.58 0.15 0.34 0.02 0.00 0.00 175.55 177.37 1ub2 s ASP 333 N -3.72 6.02 0.12 2.29 3.68 -1.26 -4.87 116.67 118.93 1ub2 s ASP 333 Ca 0.32 0.16 0.10 0.00 2.13 0.00 0.00 52.55 55.26 1ub2 s ASP 333 Cb -0.07 -1.77 -0.04 0.00 -1.45 0.00 0.00 42.92 39.59 1ub2 s ASP 333 CO 0.22 0.18 -0.24 0.26 0.13 0.00 0.00 175.17 175.71 1ub2 s TRP 334 N -1.45 2.07 0.08 -5.34 0.52 -1.26 -0.45 118.94 113.11 1ub2 s TRP 334 Ca 0.32 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 56.07 1ub2 s TRP 334 Cb -0.13 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.04 1ub2 s TRP 334 CO 0.25 0.28 -0.08 -1.83 0.02 0.00 0.00 176.95 175.59 1ub2 s GLU 335 N -2.00 0.72 0.13 4.98 -1.05 -0.24 -4.93 118.70 116.31 1ub2 s GLU 335 Ca 0.11 -1.07 -0.30 0.00 -0.15 0.00 0.00 54.97 53.55 1ub2 s GLU 335 Cb -0.10 -0.31 -0.07 0.00 -0.44 0.00 0.00 34.13 33.21 1ub2 s GLU 335 CO 0.05 0.03 1.20 -0.51 0.95 0.00 0.00 175.26 176.98 1ub2 s LEU 336 N -2.34 4.42 0.28 1.83 1.43 -1.26 -1.45 118.68 121.58 1ub2 s LEU 336 Ca 0.02 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.28 1ub2 s LEU 336 Cb -0.02 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1ub2 s LEU 336 CO -0.02 -0.40 0.15 -0.54 0.23 0.00 0.00 176.35 175.77 1ub2 s LYS 337 N 0.30 1.49 -0.06 1.70 3.01 0.21 -4.94 119.74 121.45 1ub2 s LYS 337 Ca 0.55 -1.83 0.05 0.00 -1.01 0.00 0.00 55.97 53.73 1ub2 s LYS 337 Cb -0.31 -0.02 -0.00 0.00 -1.01 0.00 0.00 37.83 36.49 1ub2 s LYS 337 CO 0.33 -0.43 -0.21 0.21 0.51 0.00 0.00 175.35 175.76 1ub2 s LYS 338 N -3.90 2.33 0.82 1.68 2.47 -1.26 -1.77 119.74 120.10 1ub2 s LYS 338 Ca 0.37 -0.77 -0.09 0.00 -1.56 0.00 0.00 55.97 53.92 1ub2 s LYS 338 Cb 0.06 -1.94 0.13 0.00 -1.46 0.00 0.00 37.83 34.62 1ub2 s LYS 338 CO 0.16 0.28 1.14 0.54 0.16 0.00 0.00 175.35 177.63 1ub2 s ASN 339 N 0.04 4.00 0.55 1.43 4.22 -0.28 -4.91 114.94 120.00 1ub2 s ASN 339 Ca -0.07 0.17 0.24 0.00 -2.14 0.00 0.00 52.86 51.06 1ub2 s ASN 339 Cb -0.14 -0.50 1.45 0.00 1.28 0.00 0.00 41.25 43.34 1ub2 s ASN 339 CO 0.04 -2.13 2.09 -0.65 -2.04 0.00 0.00 177.10 174.41 1ub2 h PRO 340 N -1.01 0.00 -0.38 3.55 0.11 -1.87 -1.09 132.00 131.31 1ub2 h PRO 340 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ub2 h PRO 340 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ub2 h PRO 340 CO 0.46 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.25 1ub2 n ALA 341 N -2.50 2.45 -0.73 -0.75 0.00 -1.12 -4.65 120.51 113.21 1ub2 n ALA 341 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1ub2 n ALA 341 Cb 0.33 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1ub2 n ALA 341 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub2 n GLY 342 N 1.26 0.56 3.89 0.00 0.00 -0.41 -4.75 105.19 105.75 1ub2 n GLY 342 Ca 0.16 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1ub2 n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub2 s ALA 343 N -2.00 3.89 0.29 4.61 0.00 -1.26 -4.82 121.76 122.47 1ub2 s ALA 343 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 1ub2 s ALA 343 Cb 0.00 -2.00 -0.10 0.00 0.00 0.00 0.00 23.12 21.03 1ub2 s ALA 343 CO 0.00 0.69 1.11 -1.58 0.00 0.00 0.00 175.76 175.98 1ub2 s TRP 344 N -1.35 3.53 0.12 0.00 0.52 -1.26 -1.12 118.94 119.38 1ub2 s TRP 344 Ca 0.29 1.68 -0.24 0.00 0.02 0.00 0.00 56.10 57.85 1ub2 s TRP 344 Cb -0.13 -3.30 0.07 0.00 -1.15 0.00 0.00 33.47 28.97 1ub2 s TRP 344 CO 0.18 -0.62 0.61 1.14 0.02 0.00 0.00 176.95 178.28 1ub2 s GLN 345 N -1.53 1.24 -0.15 4.98 -2.07 -0.73 -4.73 119.66 116.66 1ub2 s GLN 345 Ca 0.46 -0.34 -0.07 0.00 -1.82 0.00 0.00 55.36 53.59 1ub2 s GLN 345 Cb -0.32 0.57 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1ub2 s GLN 345 CO 0.41 -0.52 0.10 -1.58 -1.32 0.00 0.00 175.29 172.38 1ub2 s TRP 346 N -3.28 3.39 0.17 9.60 0.52 -0.37 -0.62 118.94 128.35 1ub2 s TRP 346 Ca -0.01 0.30 0.09 0.00 0.02 0.00 0.00 56.10 56.50 1ub2 s TRP 346 Cb -0.01 -2.02 -0.04 0.00 -1.15 0.00 0.00 33.47 30.25 1ub2 s TRP 346 CO -0.09 0.42 -0.20 -1.21 0.02 0.00 0.00 176.95 175.89 1ub2 s GLU 347 N -0.25 1.33 0.43 4.98 2.02 -0.53 -1.42 118.70 125.27 1ub2 s GLU 347 Ca 0.09 -1.43 -0.21 0.00 0.02 0.00 0.00 54.97 53.44 1ub2 s GLU 347 Cb -0.12 -1.47 -0.10 0.00 0.10 0.00 0.00 34.13 32.53 1ub2 s GLU 347 CO 0.01 0.31 0.97 -1.25 0.02 0.00 0.00 175.26 175.32 1ub2 s PRO 348 N -2.72 4.17 -0.18 0.39 0.04 -1.26 -1.08 135.00 134.36 1ub2 s PRO 348 Ca 0.17 1.19 -0.21 0.00 0.04 0.00 0.00 61.00 62.18 1ub2 s PRO 348 Cb -0.07 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1ub2 s PRO 348 CO 0.07 -0.09 0.66 0.42 0.04 0.00 0.00 177.00 178.10 1ub2 s ILE 349 N -2.09 5.01 -1.22 0.56 1.01 0.41 -4.37 121.20 120.50 1ub2 s ILE 349 Ca 0.62 1.26 -0.12 0.00 0.00 0.00 0.00 60.65 62.40 1ub2 s ILE 349 Cb -0.11 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 1ub2 s ILE 349 CO 0.15 0.12 0.71 0.59 0.00 0.00 0.00 174.94 176.51 1ub2 n ASN 350 N 4.92 -3.68 -4.78 3.58 5.03 -1.26 -4.67 115.26 114.40 1ub2 n ASN 350 Ca -0.01 -0.97 -0.35 0.00 0.87 0.00 0.00 54.58 54.12 1ub2 n ASN 350 Cb 0.50 -3.52 -0.01 0.00 -1.02 0.00 0.00 39.78 35.72 1ub2 n ASN 350 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1ub2 s PRO 351 N -6.01 3.61 0.47 3.52 0.04 -1.26 -5.02 135.00 130.35 1ub2 s PRO 351 Ca 0.30 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.74 1ub2 s PRO 351 Cb -0.10 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 1ub2 s PRO 351 CO 0.85 -0.63 0.96 1.03 0.04 0.00 0.00 177.00 179.25 1ub2 s ARG 352 N -3.08 4.06 0.17 4.56 0.52 -1.26 -4.98 118.95 118.94 1ub2 s ARG 352 Ca 0.68 1.00 -0.15 0.00 -0.52 0.00 0.00 55.73 56.75 1ub2 s ARG 352 Cb -0.23 -2.17 0.09 0.00 0.52 0.00 0.00 34.95 33.16 1ub2 s ARG 352 CO 0.27 -0.15 1.78 0.93 0.02 0.00 0.00 175.30 178.14 1ub2 h GLU 353 N 1.37 0.41 -0.21 3.54 4.39 -1.98 -2.03 114.58 120.07 1ub2 h GLU 353 Ca -0.48 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.26 1ub2 h GLU 353 Cb 1.18 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1ub2 h GLU 353 CO 0.61 0.27 0.25 1.49 -1.16 0.00 0.00 179.01 180.47 1ub2 h GLU 354 N 0.42 0.00 -0.00 2.33 4.81 -2.04 -0.04 114.58 120.05 1ub2 h GLU 354 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1ub2 h GLU 354 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1ub2 h GLU 354 CO -0.14 0.00 -0.00 -0.25 -0.73 0.00 0.00 179.01 177.89 1ub2 n ASP 355 N -3.74 0.48 -4.71 1.04 8.00 -0.76 -4.83 116.55 112.03 1ub2 n ASP 355 Ca 0.02 -1.15 -0.40 0.00 0.71 0.00 0.00 54.79 53.97 1ub2 n ASP 355 Cb 0.37 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 1ub2 n ASP 355 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ub2 s LEU 356 N -2.01 4.29 0.42 0.64 1.43 -0.03 -4.02 118.68 119.41 1ub2 s LEU 356 Ca 0.45 1.22 -0.25 0.00 -1.03 0.00 0.00 54.13 54.52 1ub2 s LEU 356 Cb 0.22 -3.16 -0.08 0.00 0.03 0.00 0.00 46.19 43.20 1ub2 s LEU 356 CO 0.36 -0.19 1.29 -2.16 0.23 0.00 0.00 176.35 175.89 1ub2 s PRO 357 N 1.09 3.88 0.68 1.29 0.04 -1.26 -4.73 135.00 135.99 1ub2 s PRO 357 Ca 0.39 2.12 -0.06 0.00 0.04 0.00 0.00 61.00 63.49 1ub2 s PRO 357 Cb -0.18 -2.67 0.05 0.00 0.04 0.00 0.00 34.50 31.74 1ub2 s PRO 357 CO 0.18 -0.56 0.99 0.14 0.04 0.00 0.00 177.00 177.79 1ub2 s VAL 358 N -1.30 2.45 0.44 -0.36 -7.23 -1.26 -0.68 120.40 112.47 1ub2 s VAL 358 Ca 0.59 -0.26 -0.25 0.00 -1.81 0.00 0.00 61.98 60.25 1ub2 s VAL 358 Cb -0.37 -3.05 -0.08 0.00 0.56 0.00 0.00 36.38 33.44 1ub2 s VAL 358 CO 0.47 -0.05 1.33 -0.62 -0.31 0.00 0.00 175.10 175.92 1ub2 s ASP 359 N -4.49 6.02 0.30 4.85 -1.08 -0.20 -4.67 116.67 117.41 1ub2 s ASP 359 Ca 0.59 2.71 0.24 0.00 -0.52 0.00 0.00 52.55 55.57 1ub2 s ASP 359 Cb -0.11 -2.64 1.09 0.00 -1.46 0.00 0.00 42.92 39.80 1ub2 s ASP 359 CO 0.44 -1.05 1.73 -0.37 0.52 0.00 0.00 175.17 176.44 1ub2 h VAL 360 N 2.21 0.00 0.00 1.11 -1.51 -1.94 -3.29 116.25 112.83 1ub2 h VAL 360 Ca -0.50 -0.18 -0.14 0.00 -1.23 0.00 0.00 66.70 64.65 1ub2 h VAL 360 Cb 1.26 0.86 -0.03 0.00 -2.13 0.00 0.00 31.29 31.25 1ub2 h VAL 360 CO 0.61 0.00 -1.54 -0.62 -1.23 0.00 0.00 177.57 174.79 1ub2 n GLU 361 N -2.31 1.47 -3.93 5.19 1.02 -1.26 -1.41 120.64 119.40 1ub2 n GLU 361 Ca 0.01 0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.87 1ub2 n GLU 361 Cb 0.18 -1.19 -0.15 0.00 -0.02 0.00 0.00 31.44 30.25 1ub2 n GLU 361 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ub2 s ASP 362 N -4.45 4.01 0.33 1.62 3.68 -1.24 -5.02 116.67 115.61 1ub2 s ASP 362 Ca -0.09 -1.36 0.23 0.00 2.13 0.00 0.00 52.55 53.46 1ub2 s ASP 362 Cb 0.03 -1.22 1.22 0.00 -1.45 0.00 0.00 42.92 41.50 1ub2 s ASP 362 CO 0.27 -0.27 1.69 -0.65 0.13 0.00 0.00 175.17 176.34 1ub2 h PRO 363 N 7.92 0.00 -0.01 4.34 0.11 -1.94 -2.48 132.00 139.95 1ub2 h PRO 363 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1ub2 h PRO 363 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ub2 h PRO 363 CO 0.43 0.00 -0.02 -1.13 -0.21 0.00 0.00 178.00 177.07 1ub2 n SER 364 N -2.29 0.74 -4.52 -2.05 3.41 -1.26 -4.77 113.62 102.89 1ub2 n SER 364 Ca -0.01 -1.14 -0.33 0.00 -0.26 0.00 0.00 58.87 57.12 1ub2 n SER 364 Cb 0.04 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 1ub2 n SER 364 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ub2 s ILE 365 N -2.09 3.34 -0.06 -1.33 1.01 -0.93 -5.05 121.20 116.08 1ub2 s ILE 365 Ca 0.40 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 1ub2 s ILE 365 Cb 0.21 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1ub2 s ILE 365 CO 0.38 0.59 0.08 -0.13 0.00 0.00 0.00 174.94 175.86 1ub2 s ARG 366 N -0.74 3.16 0.00 2.79 0.52 -1.26 -1.03 118.95 122.39 1ub2 s ARG 366 Ca 0.11 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 1ub2 s ARG 366 Cb -0.11 -2.94 0.00 0.00 0.52 0.00 0.00 34.95 32.42 1ub2 s ARG 366 CO 0.01 0.70 0.00 0.54 0.02 0.00 0.00 175.30 176.57 1ub2 n ARG 367 N 1.69 3.97 -4.37 3.54 5.12 0.15 -4.83 116.66 121.92 1ub2 n ARG 367 Ca -0.17 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.51 1ub2 n ARG 367 Cb 0.54 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.75 1ub2 n ARG 367 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ub2 s ASN 368 N 0.91 4.10 0.59 0.55 4.22 -1.26 -4.25 114.94 119.80 1ub2 s ASN 368 Ca 0.00 -0.90 -0.03 0.00 -2.14 0.00 0.00 52.86 49.79 1ub2 s ASN 368 Cb 0.00 -0.55 0.03 0.00 1.28 0.00 0.00 41.25 42.01 1ub2 s ASN 368 CO 0.00 -0.08 0.87 -0.76 -2.04 0.00 0.00 177.10 175.09 1ub2 s LEU 369 N -3.64 3.18 0.20 3.54 1.43 -1.26 -1.95 118.68 120.18 1ub2 s LEU 369 Ca 0.32 0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 53.58 1ub2 s LEU 369 Cb -0.03 -3.17 0.05 0.00 0.03 0.00 0.00 46.19 43.07 1ub2 s LEU 369 CO 0.18 -1.19 0.64 0.68 0.23 0.00 0.00 176.35 176.88 1ub2 s VAL 370 N -2.94 0.00 -0.11 -1.59 -7.23 -0.67 -4.61 120.40 103.24 1ub2 s VAL 370 Ca 0.56 -0.39 -0.08 0.00 -1.81 0.00 0.00 61.98 60.25 1ub2 s VAL 370 Cb -0.10 -1.38 0.04 0.00 0.56 0.00 0.00 36.38 35.49 1ub2 s VAL 370 CO 0.42 -0.01 0.28 -0.04 -0.31 0.00 0.00 175.10 175.45 1ub2 s MET 371 N -3.82 0.29 0.78 4.82 -1.94 -0.51 -3.95 119.30 114.98 1ub2 s MET 371 Ca 0.05 0.49 -0.06 0.00 -1.71 0.00 0.00 55.69 54.46 1ub2 s MET 371 Cb -0.03 0.04 0.14 0.00 2.01 0.00 0.00 34.83 36.99 1ub2 s MET 371 CO -0.06 -0.10 1.08 0.95 -0.01 0.00 0.00 175.02 176.89 1ub2 s THR 372 N 0.69 2.12 0.40 2.05 -4.23 -1.26 -1.24 115.64 114.17 1ub2 s THR 372 Ca -0.04 -0.39 0.25 0.00 -1.18 0.00 0.00 61.69 60.32 1ub2 s THR 372 Cb -0.06 -2.73 0.27 0.00 1.34 0.00 0.00 72.50 71.32 1ub2 s THR 372 CO -0.04 0.00 2.04 -0.78 -0.54 0.00 0.00 174.62 175.30 1ub2 h ASP 373 N -0.84 0.00 1.03 3.99 3.58 -1.47 -1.10 116.42 121.61 1ub2 h ASP 373 Ca -0.40 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 56.90 1ub2 h ASP 373 Cb 1.26 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 1ub2 h ASP 373 CO 0.42 0.14 -0.73 0.00 -2.88 0.00 0.00 179.24 176.19 1ub2 h ALA 374 N 1.86 0.62 -0.04 -0.78 0.00 -1.87 -2.09 119.26 116.96 1ub2 h ALA 374 Ca -0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 54.91 54.09 1ub2 h ALA 374 Cb 0.37 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ub2 h ALA 374 CO 0.02 0.92 -0.57 -0.44 0.00 0.00 0.00 179.25 179.18 1ub2 h ASP 375 N 0.00 0.57 0.11 0.00 5.19 -1.62 -3.08 116.42 117.59 1ub2 h ASP 375 Ca -0.01 -0.71 -0.02 0.00 -0.62 0.00 0.00 57.03 55.67 1ub2 h ASP 375 Cb 1.45 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.78 1ub2 h ASP 375 CO 0.10 1.20 -0.10 0.24 -3.12 0.00 0.00 179.24 177.56 1ub2 h MET 376 N -0.01 0.00 -0.03 3.56 2.86 -1.25 -1.13 114.93 118.93 1ub2 h MET 376 Ca -0.06 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1ub2 h MET 376 Cb 1.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 1ub2 h MET 376 CO 0.11 0.10 -0.19 0.00 1.06 0.00 0.00 176.91 177.99 1ub2 h ALA 377 N 1.90 1.63 0.00 6.32 0.00 -1.29 0.66 119.26 128.49 1ub2 h ALA 377 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ub2 h ALA 377 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ub2 h ALA 377 CO 0.01 0.27 -0.09 0.52 0.00 0.00 0.00 179.25 179.97 1ub2 h MET 378 N 0.04 0.00 0.05 0.00 2.86 -1.19 -0.15 114.93 116.54 1ub2 h MET 378 Ca 0.01 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.27 1ub2 h MET 378 Cb 0.36 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 1ub2 h MET 378 CO 0.03 0.09 -2.26 1.17 1.06 0.00 0.00 176.91 176.99 1ub2 n LYS 379 N -3.33 0.69 0.10 1.72 4.81 -0.59 -2.62 118.16 118.94 1ub2 n LYS 379 Ca -0.01 0.19 -0.23 0.00 -0.87 0.00 0.00 58.31 57.39 1ub2 n LYS 379 Cb 0.28 -1.60 -0.15 0.00 0.02 0.00 0.00 35.03 33.58 1ub2 n LYS 379 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 1ub2 h MET 380 N 0.03 0.44 -6.48 1.64 2.86 -0.81 -3.41 114.93 109.19 1ub2 h MET 380 Ca -0.51 -0.75 -0.53 0.00 -2.06 0.00 0.00 59.70 55.86 1ub2 h MET 380 Cb 1.97 0.28 0.03 0.00 0.06 0.00 0.00 31.60 33.94 1ub2 h MET 380 CO -0.01 1.35 1.00 0.34 1.06 0.00 0.00 176.91 180.66 1ub2 s ASP 381 N -7.38 6.57 0.26 1.22 -1.08 -0.08 -4.88 116.67 111.30 1ub2 s ASP 381 Ca -0.13 2.55 -0.02 0.00 -0.52 0.00 0.00 52.55 54.42 1ub2 s ASP 381 Cb 0.05 -2.57 0.55 0.00 -1.46 0.00 0.00 42.92 39.49 1ub2 s ASP 381 CO 0.89 -0.90 1.68 -0.65 0.52 0.00 0.00 175.17 176.70 1ub2 h PRO 382 N 8.18 0.26 -0.09 4.34 0.11 -1.88 0.11 132.00 143.02 1ub2 h PRO 382 Ca -0.43 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 1ub2 h PRO 382 Cb 1.20 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.27 1ub2 h PRO 382 CO 0.93 0.17 -0.65 0.93 -0.21 0.00 0.00 178.00 179.17 1ub2 h GLU 383 N 0.27 0.60 -0.68 1.05 4.39 -1.96 -3.10 114.58 115.15 1ub2 h GLU 383 Ca 0.47 -0.53 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 1ub2 h GLU 383 Cb 0.84 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.59 1ub2 h GLU 383 CO -0.55 1.15 0.12 1.88 -1.16 0.00 0.00 179.01 180.44 1ub2 h TYR 384 N 0.24 1.20 -0.99 4.33 0.05 -1.74 -2.87 116.97 117.18 1ub2 h TYR 384 Ca -0.06 -0.16 0.17 0.00 0.05 0.00 0.00 58.73 58.73 1ub2 h TYR 384 Cb 1.30 -0.33 -0.10 0.00 1.01 0.00 0.00 36.73 38.62 1ub2 h TYR 384 CO 0.11 1.00 0.62 -0.09 -1.05 0.00 0.00 178.16 178.74 1ub2 h ARG 385 N 1.05 0.76 -0.39 4.88 9.65 -0.54 0.20 114.38 129.99 1ub2 h ARG 385 Ca 0.21 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.94 1ub2 h ARG 385 Cb 0.44 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 1ub2 h ARG 385 CO 0.01 0.50 -0.18 0.87 2.80 0.00 0.00 179.97 183.98 1ub2 h LYS 386 N 0.78 0.74 -0.20 0.20 1.57 -1.43 -1.71 116.57 116.53 1ub2 h LYS 386 Ca 0.55 -0.27 -0.21 0.00 -1.87 0.00 0.00 60.65 58.84 1ub2 h LYS 386 Cb 0.83 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.10 1ub2 h LYS 386 CO -0.33 0.87 -0.70 0.82 -0.57 0.00 0.00 179.45 179.54 1ub2 h ILE 387 N 0.66 1.28 -0.93 1.86 2.04 -1.09 -2.50 117.51 118.83 1ub2 h ILE 387 Ca 0.10 -1.89 0.06 0.00 1.00 0.00 0.00 64.86 64.14 1ub2 h ILE 387 Cb 0.66 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 38.55 1ub2 h ILE 387 CO 0.05 0.60 0.59 0.28 0.00 0.00 0.00 178.15 179.68 1ub2 h SER 388 N 0.57 0.94 -0.52 1.72 0.02 -0.52 -1.63 113.55 114.14 1ub2 h SER 388 Ca -0.03 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 1ub2 h SER 388 Cb 1.33 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 1ub2 h SER 388 CO 0.15 0.60 0.16 -0.08 -1.14 0.00 0.00 176.83 176.52 1ub2 h GLU 389 N 1.08 0.81 -0.70 3.45 4.57 -1.20 -1.21 114.58 121.38 1ub2 h GLU 389 Ca 0.40 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.37 1ub2 h GLU 389 Cb 0.17 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1ub2 h GLU 389 CO -0.17 0.75 0.27 -0.09 -1.18 0.00 0.00 179.01 178.58 1ub2 h ARG 390 N 0.71 1.05 0.00 1.92 9.65 -0.90 -1.77 114.38 125.03 1ub2 h ARG 390 Ca 0.17 -0.20 -0.06 0.00 -1.10 0.00 0.00 59.98 58.79 1ub2 h ARG 390 Cb 0.28 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1ub2 h ARG 390 CO -0.01 0.87 -0.30 0.74 2.80 0.00 0.00 179.97 184.07 1ub2 h PHE 391 N 1.00 0.00 -0.11 2.20 0.05 -1.13 0.15 116.94 119.10 1ub2 h PHE 391 Ca 0.23 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.90 1ub2 h PHE 391 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.18 1ub2 h PHE 391 CO 0.02 0.30 -0.41 -0.92 -0.18 0.00 0.00 178.31 177.12 1ub2 h TYR 392 N 0.00 0.62 -0.00 -0.55 3.20 -0.73 -3.24 116.97 116.27 1ub2 h TYR 392 Ca -0.00 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.61 1ub2 h TYR 392 Cb 0.77 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1ub2 h TYR 392 CO 0.00 1.01 -0.48 0.00 -1.64 0.00 0.00 178.16 177.05 1ub2 n GLN 393 N -4.31 0.16 -3.27 1.82 10.64 -0.71 -4.51 117.38 117.20 1ub2 n GLN 393 Ca -0.08 -0.10 -0.25 0.00 -1.83 0.00 0.00 57.00 54.75 1ub2 n GLN 393 Cb 0.55 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.35 1ub2 n GLN 393 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1ub2 n ASP 394 N -1.34 0.01 0.28 2.61 -0.08 0.53 -4.98 116.55 113.58 1ub2 n ASP 394 Ca 0.07 -2.59 0.14 0.00 -1.51 0.00 0.00 54.79 50.89 1ub2 n ASP 394 Cb 0.34 -0.61 0.82 0.00 2.34 0.00 0.00 41.12 44.01 1ub2 n ASP 394 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ub2 h PRO 395 N 4.60 0.00 -0.45 -0.67 0.11 -1.79 -2.05 132.00 131.75 1ub2 h PRO 395 Ca 0.14 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.17 1ub2 h PRO 395 Cb 0.89 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1ub2 h PRO 395 CO 0.44 0.06 -0.07 0.00 -0.21 0.00 0.00 178.00 178.22 1ub2 h ALA 396 N 1.94 1.04 -0.03 -0.75 0.00 -1.94 -0.93 119.26 118.59 1ub2 h ALA 396 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ub2 h ALA 396 Cb 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ub2 h ALA 396 CO 0.01 0.59 -0.01 -0.92 0.00 0.00 0.00 179.25 178.92 1ub2 h TYR 397 N 0.72 0.08 -0.29 0.00 3.20 -1.76 -2.45 116.97 116.46 1ub2 h TYR 397 Ca 0.13 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.05 1ub2 h TYR 397 Cb 0.53 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.71 1ub2 h TYR 397 CO 0.03 0.43 -0.33 0.35 -1.64 0.00 0.00 178.16 177.00 1ub2 h PHE 398 N -0.30 -0.91 -0.33 -3.82 3.57 -1.18 0.16 116.94 114.13 1ub2 h PHE 398 Ca 0.01 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1ub2 h PHE 398 Cb 0.41 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1ub2 h PHE 398 CO 0.06 -0.39 0.19 0.00 -2.23 0.00 0.00 178.31 175.94 1ub2 h ALA 399 N 0.61 1.71 0.04 2.41 0.00 -1.18 0.17 119.26 123.02 1ub2 h ALA 399 Ca 0.14 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1ub2 h ALA 399 Cb 0.54 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ub2 h ALA 399 CO -0.47 0.25 -0.80 0.22 0.00 0.00 0.00 179.25 178.46 1ub2 h ASP 400 N 0.46 0.62 -0.52 0.00 3.58 -0.73 -1.59 116.42 118.24 1ub2 h ASP 400 Ca 0.12 -0.80 -0.10 0.00 0.42 0.00 0.00 57.03 56.67 1ub2 h ASP 400 Cb 0.00 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 1ub2 h ASP 400 CO -0.02 1.36 -0.05 0.58 -2.88 0.00 0.00 179.24 178.23 1ub2 h VAL 401 N -0.03 1.27 -0.06 2.25 2.07 -0.48 -1.96 116.25 119.30 1ub2 h VAL 401 Ca -0.11 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 1ub2 h VAL 401 Cb 1.52 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1ub2 h VAL 401 CO 0.15 0.41 0.00 0.15 0.02 0.00 0.00 177.57 178.31 1ub2 h PHE 402 N 0.82 0.12 -0.68 1.57 3.04 -0.73 -1.34 116.94 119.74 1ub2 h PHE 402 Ca 0.14 -0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.16 1ub2 h PHE 402 Cb 0.59 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 39.00 1ub2 h PHE 402 CO 0.04 0.37 0.32 0.00 -2.02 0.00 0.00 178.31 177.03 1ub2 h ALA 403 N 0.73 0.92 -0.52 2.41 0.00 -1.23 0.43 119.26 122.00 1ub2 h ALA 403 Ca 0.02 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1ub2 h ALA 403 Cb 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ub2 h ALA 403 CO 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 179.25 179.22 1ub2 h ARG 404 N 0.55 0.88 -0.14 0.00 3.08 -1.30 -1.95 114.38 115.50 1ub2 h ARG 404 Ca 0.33 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1ub2 h ARG 404 Cb 0.36 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1ub2 h ARG 404 CO -0.27 0.88 -0.35 0.00 -1.07 0.00 0.00 179.97 179.15 1ub2 h ALA 405 N 0.97 1.14 -0.59 0.04 0.00 -0.20 -0.02 119.26 120.61 1ub2 h ALA 405 Ca 0.15 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1ub2 h ALA 405 Cb 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ub2 h ALA 405 CO 0.02 0.56 -0.03 2.35 0.00 0.00 0.00 179.25 182.14 1ub2 h TRP 406 N 0.25 1.16 -0.39 0.00 2.91 0.03 -0.12 115.95 119.78 1ub2 h TRP 406 Ca 0.03 -0.21 -0.12 0.00 1.13 0.00 0.00 58.89 59.72 1ub2 h TRP 406 Cb 0.75 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.09 1ub2 h TRP 406 CO 0.02 1.04 -0.21 0.35 -1.03 0.00 0.00 178.44 178.61 1ub2 h PHE 407 N 0.96 0.96 -0.52 2.65 3.57 -0.98 -2.48 116.94 121.11 1ub2 h PHE 407 Ca 0.16 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1ub2 h PHE 407 Cb 0.59 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1ub2 h PHE 407 CO 0.04 1.01 0.27 -0.22 -2.23 0.00 0.00 178.31 177.18 1ub2 h LYS 408 N 0.64 0.74 -0.32 1.11 3.64 -0.75 -2.31 116.57 119.32 1ub2 h LYS 408 Ca 0.09 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1ub2 h LYS 408 Cb 0.76 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 1ub2 h LYS 408 CO 0.06 0.60 -0.08 1.25 -2.27 0.00 0.00 179.45 179.01 1ub2 h LEU 409 N 0.70 -0.30 0.00 5.20 5.85 -0.92 0.16 115.31 126.01 1ub2 h LEU 409 Ca 0.18 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1ub2 h LEU 409 Cb 0.09 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1ub2 h LEU 409 CO -0.03 -0.11 0.00 0.35 -0.34 0.00 0.00 178.44 178.32 1ub2 n THR 410 N -5.26 0.00 -0.89 1.05 -2.24 -0.94 -3.95 114.28 102.04 1ub2 n THR 410 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ub2 n THR 410 Cb 0.18 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1ub2 n THR 410 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ub2 n HIS 411 N -0.97 0.00 0.30 4.78 8.25 -0.81 -4.83 115.22 121.94 1ub2 n HIS 411 Ca 0.22 -0.02 0.03 0.00 -0.26 0.00 0.00 57.72 57.70 1ub2 n HIS 411 Cb 0.10 -0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.37 1ub2 n HIS 411 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1ub2 n ARG 412 N -0.02 0.11 -0.14 -0.41 1.85 0.51 -1.31 116.66 117.25 1ub2 n ARG 412 Ca 0.00 0.19 0.05 0.00 -1.00 0.00 0.00 57.85 57.09 1ub2 n ARG 412 Cb 0.30 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.29 1ub2 n ARG 412 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1ub2 n ASP 413 N -1.23 1.64 0.14 2.89 5.75 -1.26 -4.70 116.55 119.78 1ub2 n ASP 413 Ca 0.03 -2.51 0.08 0.00 -0.01 0.00 0.00 54.79 52.38 1ub2 n ASP 413 Cb 0.04 -0.27 0.05 0.00 -1.03 0.00 0.00 41.12 39.92 1ub2 n ASP 413 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 1ub2 h MET 414 N 0.00 0.00 0.00 0.11 2.86 -1.38 -3.41 114.93 113.12 1ub2 h MET 414 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ub2 h MET 414 Cb 0.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1ub2 h MET 414 CO 0.00 0.16 0.00 0.41 1.06 0.00 0.00 176.91 178.54 1ub2 n GLY 415 N 1.19 -0.93 3.65 8.32 0.00 -1.19 -4.80 105.19 111.42 1ub2 n GLY 415 Ca 0.00 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 1ub2 n GLY 415 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ub2 n PRO 416 N 0.00 1.47 0.22 1.61 -0.02 -1.26 -4.86 135.00 132.16 1ub2 n PRO 416 Ca 0.00 0.53 0.18 0.00 -2.02 0.00 0.00 63.50 62.19 1ub2 n PRO 416 Cb 0.00 -2.21 0.85 0.00 -0.02 0.00 0.00 33.50 32.13 1ub2 n PRO 416 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ub2 h LYS 417 N 1.51 0.00 -0.34 -0.52 3.64 -1.91 0.49 116.57 119.45 1ub2 h LYS 417 Ca -0.47 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.01 1ub2 h LYS 417 Cb 1.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1ub2 h LYS 417 CO 0.57 0.00 0.29 0.00 -2.27 0.00 0.00 179.45 178.04 1ub2 h ALA 418 N 1.70 2.16 0.00 5.00 0.00 -1.90 0.22 119.26 126.44 1ub2 h ALA 418 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ub2 h ALA 418 Cb 0.54 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ub2 h ALA 418 CO -0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 179.25 178.50 1ub2 h ARG 419 N 0.00 0.00 -6.54 0.00 3.08 -1.16 -3.46 114.38 106.29 1ub2 h ARG 419 Ca 0.16 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.68 1ub2 h ARG 419 Cb 0.75 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.82 1ub2 h ARG 419 CO -0.00 0.27 0.75 0.71 -1.07 0.00 0.00 179.97 180.64 1ub2 s TYR 420 N -3.08 3.19 0.06 3.04 1.51 0.78 -4.67 117.35 118.17 1ub2 s TYR 420 Ca 0.05 0.89 0.03 0.00 -1.01 0.00 0.00 57.07 57.04 1ub2 s TYR 420 Cb 0.06 -3.72 -0.03 0.00 -0.11 0.00 0.00 41.96 38.17 1ub2 s TYR 420 CO 0.71 -2.55 -0.10 0.42 -1.11 0.00 0.00 175.55 172.92 1ub2 s ILE 421 N 1.20 0.76 0.00 2.71 1.01 -0.72 -4.94 121.20 121.21 1ub2 s ILE 421 Ca 0.65 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1ub2 s ILE 421 Cb -0.38 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1ub2 s ILE 421 CO 0.30 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1ub2 n GLY 422 N 1.33 3.57 0.26 6.18 0.00 -1.26 0.71 105.19 115.98 1ub2 n GLY 422 Ca -0.22 -1.84 0.15 0.00 0.00 0.00 0.00 46.02 44.11 1ub2 n GLY 422 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ub2 h PRO 423 N 0.00 0.00 -0.58 1.61 0.13 -2.00 -3.23 132.00 127.93 1ub2 h PRO 423 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1ub2 h PRO 423 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1ub2 h PRO 423 CO 0.00 0.10 0.12 -0.25 -0.23 0.00 0.00 178.00 177.74 1ub2 n ASP 424 N -3.31 4.74 -4.70 1.44 8.00 -1.26 -4.95 116.55 116.52 1ub2 n ASP 424 Ca -0.00 -3.15 -0.42 0.00 0.71 0.00 0.00 54.79 51.92 1ub2 n ASP 424 Cb 0.31 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.69 1ub2 n ASP 424 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ub2 s VAL 425 N -2.93 3.90 0.33 2.53 1.01 -1.17 -1.60 120.40 122.46 1ub2 s VAL 425 Ca 0.52 1.30 -0.29 0.00 0.00 0.00 0.00 61.98 63.51 1ub2 s VAL 425 Cb 0.41 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.86 1ub2 s VAL 425 CO 0.12 0.03 1.35 -2.84 0.00 0.00 0.00 175.10 173.77 1ub2 s PRO 426 N 1.91 4.30 0.36 2.72 0.02 -1.26 -4.91 135.00 138.14 1ub2 s PRO 426 Ca 0.60 2.28 0.13 0.00 0.02 0.00 0.00 61.00 64.04 1ub2 s PRO 426 Cb -0.30 -3.06 0.67 0.00 0.02 0.00 0.00 34.50 31.83 1ub2 s PRO 426 CO 0.26 -0.27 1.79 -0.56 -0.33 0.00 0.00 177.00 177.88 1ub2 h GLN 427 N 3.55 0.00 -6.80 5.54 3.07 -1.95 -3.44 115.11 115.07 1ub2 h GLN 427 Ca -0.49 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 57.72 1ub2 h GLN 427 Cb 1.23 0.00 0.08 0.00 0.08 0.00 0.00 27.48 28.87 1ub2 h GLN 427 CO 0.67 0.41 0.90 -2.00 0.09 0.00 0.00 178.83 178.90 1ub2 s GLU 428 N -4.04 4.11 -0.49 0.06 2.12 -1.26 -4.96 118.70 114.24 1ub2 s GLU 428 Ca -0.02 2.60 -0.21 0.00 0.36 0.00 0.00 54.97 57.70 1ub2 s GLU 428 Cb 0.14 -3.02 0.04 0.00 0.26 0.00 0.00 34.13 31.55 1ub2 s GLU 428 CO 0.73 -0.65 0.69 -0.51 -0.54 0.00 0.00 175.26 174.97 1ub2 s ASP 429 N 0.53 6.28 0.22 -1.70 1.01 -1.26 -5.04 116.67 116.70 1ub2 s ASP 429 Ca 0.64 -0.60 -0.28 0.00 0.71 0.00 0.00 52.55 53.02 1ub2 s ASP 429 Cb -0.48 -2.33 -0.09 0.00 1.01 0.00 0.00 42.92 41.03 1ub2 s ASP 429 CO 0.48 -0.91 0.89 -0.76 0.21 0.00 0.00 175.17 175.08 1ub2 s LEU 430 N 2.93 4.63 0.38 1.23 2.01 -1.26 -4.96 118.68 123.64 1ub2 s LEU 430 Ca 0.21 1.85 0.10 0.00 0.01 0.00 0.00 54.13 56.29 1ub2 s LEU 430 Cb -0.16 -3.51 0.85 0.00 0.01 0.00 0.00 46.19 43.38 1ub2 s LEU 430 CO 0.16 0.17 1.92 -0.29 1.01 0.00 0.00 176.35 179.32 1ub2 h ILE 431 N 3.20 0.90 0.00 -0.59 -0.00 -1.96 -0.29 117.51 118.77 1ub2 h ILE 431 Ca -0.46 -0.22 0.00 0.00 -0.00 0.00 0.00 64.86 64.18 1ub2 h ILE 431 Cb 1.20 0.21 0.00 0.00 -0.00 0.00 0.00 36.82 38.23 1ub2 h ILE 431 CO 0.67 0.12 0.00 -2.67 -0.00 0.00 0.00 178.15 176.27 1ub2 n TRP 432 N -4.51 0.00 0.82 2.19 4.27 -1.26 -2.01 117.44 116.94 1ub2 n TRP 432 Ca 0.14 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.86 1ub2 n TRP 432 Cb 0.39 0.00 0.15 0.00 -1.36 0.00 0.00 31.31 30.49 1ub2 n TRP 432 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1ub2 n GLN 433 N -0.93 0.12 -3.15 -2.67 6.02 -0.12 -4.97 117.38 111.69 1ub2 n GLN 433 Ca 0.12 0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.98 1ub2 n GLN 433 Cb 0.06 -1.56 0.06 0.00 1.02 0.00 0.00 30.24 29.82 1ub2 n GLN 433 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1ub2 n ASP 434 N -1.72 -3.97 -4.26 1.08 8.00 -0.85 -4.27 116.55 110.55 1ub2 n ASP 434 Ca 0.04 -0.38 -0.52 0.00 0.71 0.00 0.00 54.79 54.64 1ub2 n ASP 434 Cb 0.38 -3.59 -0.06 0.00 -0.02 0.00 0.00 41.12 37.83 1ub2 n ASP 434 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ub2 n PRO 435 N -3.40 0.00 -3.71 -0.24 -0.04 -1.26 -4.99 135.00 121.35 1ub2 n PRO 435 Ca -0.06 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.24 1ub2 n PRO 435 Cb 0.57 -1.23 -0.16 0.00 -0.04 0.00 0.00 33.50 32.64 1ub2 n PRO 435 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ub2 s ILE 436 N -0.41 -0.13 0.80 0.52 1.01 -1.26 -4.75 121.20 116.98 1ub2 s ILE 436 Ca 0.76 0.29 -0.11 0.00 0.00 0.00 0.00 60.65 61.59 1ub2 s ILE 436 Cb -1.07 -0.22 0.07 0.00 0.01 0.00 0.00 42.46 41.25 1ub2 s ILE 436 CO 0.54 0.12 1.09 -2.16 0.00 0.00 0.00 174.94 174.53 1ub2 s PRO 437 N 1.69 2.04 0.05 2.79 0.04 -1.26 -4.92 135.00 135.43 1ub2 s PRO 437 Ca -0.03 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 1ub2 s PRO 437 Cb -0.12 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1ub2 s PRO 437 CO -0.05 -1.76 1.09 0.00 0.04 0.00 0.00 177.00 176.32 1ub2 s ALA 438 N -2.93 3.29 0.34 8.56 0.00 -1.26 -3.24 121.76 126.52 1ub2 s ALA 438 Ca 0.62 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 53.27 1ub2 s ALA 438 Cb -0.17 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1ub2 s ALA 438 CO 0.56 -0.31 0.57 0.20 0.00 0.00 0.00 175.76 176.78 1ub2 s GLY 439 N 0.88 1.55 0.35 0.00 0.00 -0.13 -4.80 107.32 105.16 1ub2 s GLY 439 Ca 0.55 -0.74 -0.29 0.00 0.00 0.00 0.00 44.72 44.24 1ub2 s GLY 439 CO 0.29 -0.65 1.46 0.21 0.00 0.00 0.00 173.10 174.41 1ub2 s ASN 440 N -3.72 6.45 0.00 1.64 3.04 -1.26 -4.36 114.94 116.74 1ub2 s ASN 440 Ca 0.42 2.94 0.15 0.00 0.04 0.00 0.00 52.86 56.41 1ub2 s ASN 440 Cb -0.10 -2.66 -0.14 0.00 -1.54 0.00 0.00 41.25 36.81 1ub2 s ASN 440 CO 0.35 -0.80 0.67 0.54 -3.04 0.00 0.00 177.10 174.81 1ub2 n ARG 441 N 0.89 2.01 -3.44 0.43 1.74 -1.26 -4.01 116.66 113.01 1ub2 n ARG 441 Ca 0.02 -0.12 -0.44 0.00 -0.77 0.00 0.00 57.85 56.54 1ub2 n ARG 441 Cb 0.40 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.57 1ub2 n ARG 441 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1ub2 s ASN 442 N -2.33 6.16 0.00 0.55 0.01 -1.26 -4.80 114.94 113.27 1ub2 s ASN 442 Ca 0.07 -2.39 0.00 0.00 -0.71 0.00 0.00 52.86 49.83 1ub2 s ASN 442 Cb 0.12 -2.11 0.00 0.00 0.41 0.00 0.00 41.25 39.67 1ub2 s ASN 442 CO 0.58 -0.62 0.07 0.00 -1.51 0.00 0.00 177.10 175.62 1ub2 n TYR 443 N 4.32 0.00 -2.40 2.20 0.18 -1.26 -4.85 117.16 115.34 1ub2 n TYR 443 Ca 0.03 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.79 1ub2 n TYR 443 Cb 0.43 0.06 -0.01 0.00 -0.38 0.00 0.00 39.34 39.44 1ub2 n TYR 443 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1ub2 n ASP 444 N 0.00 -4.54 -0.13 9.48 -0.08 -1.26 -4.71 116.55 115.31 1ub2 n ASP 444 Ca 0.00 1.09 -0.05 0.00 -1.51 0.00 0.00 54.79 54.32 1ub2 n ASP 444 Cb 0.36 -4.34 0.03 0.00 2.34 0.00 0.00 41.12 39.51 1ub2 n ASP 444 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1ub2 h VAL 445 N 2.64 0.90 -0.71 5.18 2.07 -1.99 -2.90 116.25 121.45 1ub2 h VAL 445 Ca -0.16 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1ub2 h VAL 445 Cb 0.36 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1ub2 h VAL 445 CO 0.05 0.06 0.47 -0.61 0.02 0.00 0.00 177.57 177.56 1ub2 h GLN 446 N 0.34 0.77 -0.57 1.57 5.75 -1.99 -0.35 115.11 120.63 1ub2 h GLN 446 Ca 0.19 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.55 1ub2 h GLN 446 Cb 0.15 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1ub2 h GLN 446 CO -0.17 0.51 0.02 0.00 -2.65 0.00 0.00 178.83 176.53 1ub2 h ALA 447 N 1.60 0.77 -0.56 3.38 0.00 -1.84 -1.13 119.26 121.49 1ub2 h ALA 447 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ub2 h ALA 447 Cb 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1ub2 h ALA 447 CO -0.09 0.59 0.36 0.28 0.00 0.00 0.00 179.25 180.39 1ub2 h VAL 448 N 0.89 1.15 -0.09 0.00 2.07 -1.08 -2.06 116.25 117.13 1ub2 h VAL 448 Ca 0.16 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ub2 h VAL 448 Cb 0.53 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ub2 h VAL 448 CO 0.03 0.15 0.04 0.11 0.02 0.00 0.00 177.57 177.92 1ub2 h LYS 449 N 0.75 0.14 -0.71 1.57 1.57 -0.84 -1.91 116.57 117.14 1ub2 h LYS 449 Ca 0.20 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 1ub2 h LYS 449 Cb -0.06 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 1ub2 h LYS 449 CO -0.04 0.22 0.42 -0.44 -0.57 0.00 0.00 179.45 179.03 1ub2 h ASP 450 N 0.02 0.64 -0.26 0.86 3.32 -1.05 0.30 116.42 120.25 1ub2 h ASP 450 Ca 0.03 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1ub2 h ASP 450 Cb 0.13 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1ub2 h ASP 450 CO -0.00 0.42 0.01 0.03 -1.72 0.00 0.00 179.24 177.98 1ub2 h ARG 451 N 0.77 0.56 -0.01 3.56 3.08 -1.25 0.36 114.38 121.45 1ub2 h ARG 451 Ca 0.31 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1ub2 h ARG 451 Cb 0.16 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ub2 h ARG 451 CO -0.17 0.57 -0.00 0.82 -1.07 0.00 0.00 179.97 180.12 1ub2 h ILE 452 N 0.53 1.30 -0.74 2.04 2.04 -0.32 -2.15 117.51 120.22 1ub2 h ILE 452 Ca 0.12 -0.91 0.06 0.00 1.00 0.00 0.00 64.86 65.13 1ub2 h ILE 452 Cb 0.32 1.89 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 1ub2 h ILE 452 CO 0.01 0.24 0.44 0.00 0.00 0.00 0.00 178.15 178.83 1ub2 h ALA 453 N 0.62 1.01 0.00 1.87 0.00 -0.16 -1.71 119.26 120.89 1ub2 h ALA 453 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ub2 h ALA 453 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ub2 h ALA 453 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1ub2 h ALA 454 N 1.37 1.00 -2.22 0.00 0.00 -0.16 -3.44 119.26 115.82 1ub2 h ALA 454 Ca 0.33 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.79 1ub2 h ALA 454 Cb 0.18 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.13 1ub2 h ALA 454 CO -0.18 0.00 0.32 -1.54 0.00 0.00 0.00 179.25 177.85 1ub2 s SER 455 N -4.53 2.85 -0.29 0.00 1.04 -0.65 -4.95 113.70 107.17 1ub2 s SER 455 Ca 0.02 0.61 0.09 0.00 0.48 0.00 0.00 55.95 57.14 1ub2 s SER 455 Cb 0.09 -0.89 0.67 0.00 0.10 0.00 0.00 66.02 65.99 1ub2 s SER 455 CO 0.38 -2.92 1.70 0.61 0.98 0.00 0.00 173.24 173.99 1ub2 n GLY 456 N -2.61 3.43 3.71 7.32 0.00 -1.26 -4.97 105.19 110.81 1ub2 n GLY 456 Ca 0.11 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1ub2 n GLY 456 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub2 s LEU 457 N -2.66 4.37 0.64 0.99 1.43 -1.26 -5.02 118.68 117.17 1ub2 s LEU 457 Ca 0.49 1.80 -0.16 0.00 -1.03 0.00 0.00 54.13 55.24 1ub2 s LEU 457 Cb 0.39 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 1ub2 s LEU 457 CO 0.12 -0.34 1.11 -0.94 0.23 0.00 0.00 176.35 176.53 1ub2 s SER 458 N 1.00 5.25 0.29 2.29 1.04 -1.26 -4.84 113.70 117.48 1ub2 s SER 458 Ca 0.54 2.00 0.04 0.00 0.48 0.00 0.00 55.95 59.01 1ub2 s SER 458 Cb -0.24 -2.55 0.65 0.00 0.10 0.00 0.00 66.02 63.98 1ub2 s SER 458 CO 0.29 -1.53 1.80 0.40 0.98 0.00 0.00 173.24 175.17 1ub2 h ILE 459 N 0.20 0.80 -0.45 -1.02 2.04 -1.95 -0.21 117.51 116.93 1ub2 h ILE 459 Ca -0.47 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 1ub2 h ILE 459 Cb 1.24 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1ub2 h ILE 459 CO 0.55 0.16 0.16 -1.28 0.00 0.00 0.00 178.15 177.73 1ub2 h SER 460 N 0.87 0.64 -0.12 1.72 0.87 -1.85 -2.24 113.55 113.44 1ub2 h SER 460 Ca 0.54 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.82 1ub2 h SER 460 Cb 0.71 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1ub2 h SER 460 CO -0.33 0.66 -0.18 -0.33 -0.53 0.00 0.00 176.83 176.12 1ub2 h GLU 461 N 0.59 0.52 0.24 2.24 5.08 -1.54 -1.89 114.58 119.81 1ub2 h GLU 461 Ca 0.15 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1ub2 h GLU 461 Cb 0.24 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1ub2 h GLU 461 CO -0.01 0.68 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.50 1ub2 h LEU 462 N 0.47 -0.27 -0.01 1.33 3.38 -1.00 -3.03 115.31 116.18 1ub2 h LEU 462 Ca 0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ub2 h LEU 462 Cb 0.58 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ub2 h LEU 462 CO 0.04 0.16 0.00 0.58 0.09 0.00 0.00 178.44 179.31 1ub2 h VAL 463 N -0.76 1.07 -0.57 1.22 2.07 -1.41 -2.58 116.25 115.29 1ub2 h VAL 463 Ca -0.03 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1ub2 h VAL 463 Cb 0.50 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1ub2 h VAL 463 CO 0.05 0.05 0.33 0.28 0.02 0.00 0.00 177.57 178.30 1ub2 h SER 464 N -0.08 0.51 -0.30 0.57 0.02 -1.47 0.48 113.55 113.29 1ub2 h SER 464 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ub2 h SER 464 Cb 0.09 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1ub2 h SER 464 CO -0.00 0.35 0.20 0.74 -1.14 0.00 0.00 176.83 176.98 1ub2 h THR 465 N 0.64 1.08 -0.50 -2.27 2.02 -1.50 -0.08 112.91 112.29 1ub2 h THR 465 Ca 0.24 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 67.19 1ub2 h THR 465 Cb 0.08 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1ub2 h THR 465 CO -0.13 0.07 -0.03 0.00 0.37 0.00 0.00 175.52 175.81 1ub2 h ALA 466 N 1.11 0.67 -0.03 6.16 0.00 -1.15 -2.00 119.26 124.01 1ub2 h ALA 466 Ca 0.11 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ub2 h ALA 466 Cb -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1ub2 h ALA 466 CO -0.02 0.50 -0.17 2.35 0.00 0.00 0.00 179.25 181.91 1ub2 h TRP 467 N 0.75 -0.43 -0.28 0.00 2.91 -0.63 -2.01 115.95 116.26 1ub2 h TRP 467 Ca 0.14 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.18 1ub2 h TRP 467 Cb 0.55 0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.38 1ub2 h TRP 467 CO 0.04 -0.24 0.18 -0.44 -1.03 0.00 0.00 178.44 176.95 1ub2 h ASP 468 N -0.26 0.33 0.09 2.65 3.45 -0.91 0.21 116.42 121.97 1ub2 h ASP 468 Ca 0.06 -0.01 -0.15 0.00 0.43 0.00 0.00 57.03 57.36 1ub2 h ASP 468 Cb 0.34 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 1ub2 h ASP 468 CO -0.18 0.24 -0.54 -1.28 -1.57 0.00 0.00 179.24 175.90 1ub2 h SER 469 N 0.38 0.54 0.66 6.45 0.87 -0.71 -3.30 113.55 118.45 1ub2 h SER 469 Ca 0.10 -0.29 -0.16 0.00 -1.23 0.00 0.00 61.79 60.22 1ub2 h SER 469 Cb -0.04 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 1ub2 h SER 469 CO -0.02 0.98 -1.45 0.00 -0.53 0.00 0.00 176.83 175.81 1ub2 n ALA 470 N -2.51 1.99 0.27 6.23 0.00 -0.82 -2.22 120.51 123.46 1ub2 n ALA 470 Ca -0.03 -0.55 0.16 0.00 0.00 0.00 0.00 53.44 53.02 1ub2 n ALA 470 Cb 0.60 -0.93 0.83 0.00 0.00 0.00 0.00 19.45 19.95 1ub2 n ALA 470 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1ub2 h ARG 471 N 0.00 0.00 0.00 0.00 0.11 -0.69 -2.52 114.38 111.29 1ub2 h ARG 471 Ca -0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.92 1ub2 h ARG 471 Cb 1.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.63 1ub2 h ARG 471 CO 0.04 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.36 1ub2 n THR 472 N -2.67 0.98 -2.17 0.08 -2.24 -1.26 -4.82 114.28 102.17 1ub2 n THR 472 Ca -0.01 0.26 -0.39 0.00 -2.27 0.00 0.00 64.05 61.63 1ub2 n THR 472 Cb 0.11 -1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 67.25 1ub2 n THR 472 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ub2 s TYR 473 N -3.10 3.00 -0.10 4.78 6.14 -0.95 -4.16 117.35 122.96 1ub2 s TYR 473 Ca 0.06 1.48 -0.04 0.00 0.64 0.00 0.00 57.07 59.21 1ub2 s TYR 473 Cb 0.09 -3.56 0.05 0.00 0.42 0.00 0.00 41.96 38.97 1ub2 s TYR 473 CO 0.29 -1.68 0.20 -0.98 0.64 0.00 0.00 175.55 174.02 1ub2 s ARG 474 N -2.11 0.10 0.04 4.97 1.70 -0.73 -4.16 118.95 118.76 1ub2 s ARG 474 Ca 0.54 0.60 0.16 0.00 -0.47 0.00 0.00 55.73 56.56 1ub2 s ARG 474 Cb -0.36 -0.16 0.67 0.00 -0.57 0.00 0.00 34.95 34.53 1ub2 s ARG 474 CO 0.46 -0.27 1.50 -1.71 -1.08 0.00 0.00 175.30 174.20 1ub2 n ASN 475 N 5.06 0.11 -0.10 -2.89 4.05 0.79 -0.96 115.26 121.32 1ub2 n ASN 475 Ca -0.10 0.53 -0.09 0.00 0.45 0.00 0.00 54.58 55.37 1ub2 n ASN 475 Cb 0.50 -0.55 -0.01 0.00 1.23 0.00 0.00 39.78 40.95 1ub2 n ASN 475 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1ub2 h SER 476 N 0.00 0.39 0.00 1.20 4.64 -1.82 -3.30 113.55 114.66 1ub2 h SER 476 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ub2 h SER 476 Cb 0.27 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1ub2 h SER 476 CO 0.00 0.30 -0.03 -0.90 -0.87 0.00 0.00 176.83 175.33 1ub2 n ASP 477 N -4.84 1.02 -2.88 4.97 3.85 -1.21 -4.67 116.55 112.78 1ub2 n ASP 477 Ca -0.01 -1.62 -0.21 0.00 -0.71 0.00 0.00 54.79 52.24 1ub2 n ASP 477 Cb 0.03 -0.04 0.01 0.00 -1.35 0.00 0.00 41.12 39.78 1ub2 n ASP 477 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1ub2 n LYS 478 N -0.31 -3.56 -3.68 0.11 4.76 -0.13 -3.19 118.16 112.15 1ub2 n LYS 478 Ca 0.01 0.80 -0.20 0.00 -2.87 0.00 0.00 58.31 56.05 1ub2 n LYS 478 Cb 0.41 -5.55 -0.01 0.00 -1.84 0.00 0.00 35.03 28.04 1ub2 n LYS 478 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ub2 s ARG 479 N -5.54 3.15 0.19 1.97 0.52 -1.17 -4.26 118.95 113.81 1ub2 s ARG 479 Ca 0.22 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 1ub2 s ARG 479 Cb -0.10 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.58 1ub2 s ARG 479 CO 0.27 0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.19 1ub2 n GLY 480 N -1.52 -2.62 0.00 -3.53 0.00 -1.26 -1.77 105.19 94.49 1ub2 n GLY 480 Ca -0.03 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1ub2 n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub2 n GLY 481 N -0.55 2.02 0.18 -0.02 0.00 -1.26 -4.52 105.19 101.04 1ub2 n GLY 481 Ca 0.00 -2.10 0.03 0.00 0.00 0.00 0.00 46.02 43.95 1ub2 n GLY 481 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub2 h ALA 482 N 0.00 1.13 -2.78 4.61 0.00 -1.64 -3.43 119.26 117.15 1ub2 h ALA 482 Ca 0.00 -0.39 -0.53 0.00 0.00 0.00 0.00 54.91 53.98 1ub2 h ALA 482 Cb 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 17.79 17.86 1ub2 h ALA 482 CO 0.00 0.54 0.44 1.21 0.00 0.00 0.00 179.25 181.44 1ub2 s ASN 483 N -6.70 4.68 0.00 0.00 2.47 -1.26 -1.57 114.94 112.56 1ub2 s ASN 483 Ca -0.01 2.38 0.00 0.00 0.42 0.00 0.00 52.86 55.64 1ub2 s ASN 483 Cb 0.13 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.33 1ub2 s ASN 483 CO 0.71 -1.94 0.00 0.61 -3.72 0.00 0.00 177.10 172.77 1ub2 n GLY 484 N 0.43 0.00 3.16 1.21 0.00 -1.19 -4.39 105.19 104.41 1ub2 n GLY 484 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1ub2 n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub2 n ALA 485 N 0.00 -1.04 -0.04 4.61 0.00 -0.61 -0.11 120.51 123.32 1ub2 n ALA 485 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 53.44 53.71 1ub2 n ALA 485 Cb 0.00 -3.98 0.28 0.00 0.00 0.00 0.00 19.45 15.75 1ub2 n ALA 485 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ub2 h ARG 486 N -1.52 0.62 -1.90 0.00 3.08 -1.82 -2.91 114.38 109.93 1ub2 h ARG 486 Ca -0.53 -0.12 0.55 0.00 0.07 0.00 0.00 59.98 59.96 1ub2 h ARG 486 Cb 1.36 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 31.23 1ub2 h ARG 486 CO 0.57 0.59 1.36 1.51 -1.07 0.00 0.00 179.97 182.93 1ub2 n ILE 487 N -4.30 -0.01 0.39 2.04 3.06 -1.26 0.60 119.36 119.88 1ub2 n ILE 487 Ca 0.02 1.45 0.14 0.00 -2.50 0.00 0.00 62.75 61.86 1ub2 n ILE 487 Cb 0.22 -2.42 0.51 0.00 0.54 0.00 0.00 39.64 38.49 1ub2 n ILE 487 CO 0.00 0.00 0.00 0.08 -2.50 0.00 0.00 176.55 174.13 1ub2 h ARG 488 N 0.00 0.00 -6.30 9.51 0.11 -1.88 -0.18 114.38 115.64 1ub2 h ARG 488 Ca 0.91 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 60.54 1ub2 h ARG 488 Cb 3.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 34.72 1ub2 h ARG 488 CO -0.03 0.00 -0.36 -0.51 0.10 0.00 0.00 179.97 179.18 1ub2 s LEU 489 N -5.05 4.07 0.44 0.08 1.43 2.52 -4.65 118.68 117.52 1ub2 s LEU 489 Ca 0.05 -0.07 -0.23 0.00 -1.03 0.00 0.00 54.13 52.85 1ub2 s LEU 489 Cb 0.09 -2.82 -0.08 0.00 0.03 0.00 0.00 46.19 43.41 1ub2 s LEU 489 CO 0.48 -0.32 1.09 0.00 0.23 0.00 0.00 176.35 177.83 1ub2 s ALA 490 N -2.13 2.99 -1.37 4.21 0.00 -1.26 -0.87 121.76 123.33 1ub2 s ALA 490 Ca 0.42 0.77 0.26 0.00 0.00 0.00 0.00 51.96 53.40 1ub2 s ALA 490 Cb -0.09 -3.31 0.61 0.00 0.00 0.00 0.00 23.12 20.33 1ub2 s ALA 490 CO 0.31 -0.40 1.48 -0.35 0.00 0.00 0.00 175.76 176.79 1ub2 n PRO 491 N -0.43 0.41 -0.14 0.00 -0.04 -1.26 -4.84 135.00 128.69 1ub2 n PRO 491 Ca 0.07 -0.24 -0.04 0.00 -0.04 0.00 0.00 63.50 63.25 1ub2 n PRO 491 Cb 0.50 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1ub2 n PRO 491 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ub2 h GLN 492 N 0.59 -0.04 0.00 0.54 4.20 -1.49 -1.95 115.11 116.96 1ub2 h GLN 492 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ub2 h GLN 492 Cb 0.50 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1ub2 h GLN 492 CO 0.00 -0.02 0.33 1.57 -0.67 0.00 0.00 178.83 180.04 1ub2 h LYS 493 N -0.04 0.00 -0.07 1.46 2.10 0.92 -0.29 116.57 120.66 1ub2 h LYS 493 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 1ub2 h LYS 493 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1ub2 h LYS 493 CO -0.48 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.72 1ub2 n ASP 494 N -2.87 2.13 -4.75 7.07 10.43 -0.75 -4.42 116.55 123.40 1ub2 n ASP 494 Ca -0.02 -1.57 -0.41 0.00 2.57 0.00 0.00 54.79 55.36 1ub2 n ASP 494 Cb 0.38 -0.04 -0.02 0.00 1.84 0.00 0.00 41.12 43.28 1ub2 n ASP 494 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 1ub2 s TRP 495 N -0.99 2.90 0.15 1.24 0.51 -0.12 -4.84 118.94 117.79 1ub2 s TRP 495 Ca 0.15 0.91 -0.20 0.00 -2.12 0.00 0.00 56.10 54.85 1ub2 s TRP 495 Cb 0.10 -3.93 0.04 0.00 -0.81 0.00 0.00 33.47 28.87 1ub2 s TRP 495 CO 0.15 -3.09 1.67 1.49 -0.51 0.00 0.00 176.95 176.66 1ub2 h GLU 496 N 4.99 -0.08 -0.14 4.98 4.81 -1.93 -0.97 114.58 126.24 1ub2 h GLU 496 Ca -0.46 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1ub2 h GLU 496 Cb 1.22 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1ub2 h GLU 496 CO 0.79 -0.05 0.15 0.78 -0.73 0.00 0.00 179.01 179.94 1ub2 h GLY 497 N -0.08 0.00 0.63 1.92 0.00 -1.91 -0.03 103.07 103.60 1ub2 h GLY 497 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1ub2 h GLY 497 CO -0.34 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.90 1ub2 n ASN 498 N -3.87 0.35 -3.32 0.19 3.02 -0.37 -4.96 115.26 106.30 1ub2 n ASN 498 Ca 0.01 -1.14 -0.21 0.00 -0.03 0.00 0.00 54.58 53.20 1ub2 n ASN 498 Cb 0.27 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.45 1ub2 n ASN 498 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ub2 n GLU 499 N -0.71 -1.85 -0.37 3.52 1.02 -0.02 -4.38 120.64 117.84 1ub2 n GLU 499 Ca 0.22 1.47 0.30 0.00 -0.02 0.00 0.00 57.16 59.13 1ub2 n GLU 499 Cb 0.16 -3.71 0.60 0.00 -0.02 0.00 0.00 31.44 28.48 1ub2 n GLU 499 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1ub2 h PRO 500 N 1.23 0.22 0.25 3.49 0.11 -1.77 0.59 132.00 136.12 1ub2 h PRO 500 Ca -0.34 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.43 1ub2 h PRO 500 Cb 1.23 -0.05 0.04 0.00 0.11 0.00 0.00 31.00 32.33 1ub2 h PRO 500 CO 0.27 0.14 -1.45 -0.44 -0.21 0.00 0.00 178.00 176.30 1ub2 h ASP 501 N 0.22 0.83 0.27 -2.05 3.45 -1.90 -3.11 116.42 114.13 1ub2 h ASP 501 Ca 0.67 -0.92 -0.17 0.00 0.43 0.00 0.00 57.03 57.04 1ub2 h ASP 501 Cb 2.03 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 40.52 1ub2 h ASP 501 CO -0.28 1.70 -0.66 -0.09 -1.57 0.00 0.00 179.24 178.35 1ub2 h ARG 502 N 0.11 0.36 -0.76 3.56 2.43 -1.78 -2.68 114.38 115.62 1ub2 h ARG 502 Ca -0.26 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.62 1ub2 h ARG 502 Cb 2.14 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 31.70 1ub2 h ARG 502 CO 0.27 0.89 0.36 1.25 -1.51 0.00 0.00 179.97 181.23 1ub2 h LEU 503 N 0.26 0.99 -0.11 3.80 5.85 -0.96 -2.32 115.31 122.82 1ub2 h LEU 503 Ca -0.02 -0.11 -0.22 0.00 0.84 0.00 0.00 57.88 58.37 1ub2 h LEU 503 Cb 1.20 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1ub2 h LEU 503 CO 0.11 0.84 -0.99 1.55 -0.34 0.00 0.00 178.44 179.61 1ub2 h PRO 504 N 1.08 0.13 -0.81 5.25 0.13 -1.53 0.11 132.00 136.37 1ub2 h PRO 504 Ca 0.26 -0.19 0.06 0.00 -0.87 0.00 0.00 66.00 65.26 1ub2 h PRO 504 Cb 0.12 0.06 -0.06 0.00 0.13 0.00 0.00 31.00 31.25 1ub2 h PRO 504 CO -0.03 1.01 0.50 -0.22 -0.23 0.00 0.00 178.00 179.03 1ub2 h LYS 505 N 0.06 0.89 0.07 0.86 3.64 -1.32 0.78 116.57 121.54 1ub2 h LYS 505 Ca -0.05 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.01 1ub2 h LYS 505 Cb 1.68 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 33.32 1ub2 h LYS 505 CO 0.15 0.59 -1.11 0.28 -2.27 0.00 0.00 179.45 177.08 1ub2 h VAL 506 N 0.92 1.38 -0.49 2.00 2.07 -1.23 -3.17 116.25 117.72 1ub2 h VAL 506 Ca 0.35 -2.57 -0.09 0.00 0.82 0.00 0.00 66.70 65.21 1ub2 h VAL 506 Cb 0.15 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1ub2 h VAL 506 CO -0.17 0.77 -0.05 -0.07 0.02 0.00 0.00 177.57 178.07 1ub2 h LEU 507 N 0.22 0.89 -0.21 2.57 3.38 -0.42 -0.69 115.31 121.05 1ub2 h LEU 507 Ca -0.13 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.57 1ub2 h LEU 507 Cb 1.78 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 42.22 1ub2 h LEU 507 CO 0.20 1.01 -0.24 0.00 0.09 0.00 0.00 178.44 179.49 1ub2 h ALA 508 N 0.91 -0.16 0.38 1.53 0.00 -0.93 1.88 119.26 122.87 1ub2 h ALA 508 Ca 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1ub2 h ALA 508 Cb 0.58 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ub2 h ALA 508 CO 0.03 -0.68 -0.18 0.28 0.00 0.00 0.00 179.25 178.70 1ub2 h VAL 509 N -0.27 0.63 -0.09 0.00 2.07 -1.50 -2.60 116.25 114.50 1ub2 h VAL 509 Ca 0.13 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 1ub2 h VAL 509 Cb 0.46 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1ub2 h VAL 509 CO -0.36 0.02 -0.21 -0.07 0.02 0.00 0.00 177.57 176.97 1ub2 h LEU 510 N -0.57 0.14 -0.71 2.57 3.38 -0.61 -1.62 115.31 117.89 1ub2 h LEU 510 Ca -0.05 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1ub2 h LEU 510 Cb 0.43 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1ub2 h LEU 510 CO 0.09 0.36 -0.38 -0.08 0.09 0.00 0.00 178.44 178.51 1ub2 h GLU 511 N 0.14 0.55 -0.36 1.13 4.81 0.30 -2.11 114.58 119.03 1ub2 h GLU 511 Ca 0.02 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 1ub2 h GLU 511 Cb 0.45 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1ub2 h GLU 511 CO 0.03 0.85 -0.01 0.78 -0.73 0.00 0.00 179.01 179.93 1ub2 h GLY 512 N 1.06 0.70 1.09 1.92 0.00 -1.00 -2.28 103.07 104.57 1ub2 h GLY 512 Ca 0.04 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1ub2 h GLY 512 CO 0.07 0.48 0.60 -2.22 0.00 0.00 0.00 176.54 175.47 1ub2 h ILE 513 N 0.46 1.22 -0.38 2.60 2.04 -1.11 -1.39 117.51 120.96 1ub2 h ILE 513 Ca 0.10 -0.41 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 1ub2 h ILE 513 Cb 0.47 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1ub2 h ILE 513 CO 0.02 0.22 -0.28 0.77 0.00 0.00 0.00 178.15 178.88 1ub2 h SER 514 N 1.20 0.90 -0.56 1.72 4.64 -1.23 -0.59 113.55 119.64 1ub2 h SER 514 Ca 0.34 -0.44 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 1ub2 h SER 514 Cb -0.11 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.70 1ub2 h SER 514 CO -0.08 1.15 0.11 0.00 -0.87 0.00 0.00 176.83 177.13 1ub2 h ALA 515 N 0.78 0.74 0.00 5.18 0.00 -1.22 -2.59 119.26 122.15 1ub2 h ALA 515 Ca 0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1ub2 h ALA 515 Cb 0.85 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1ub2 h ALA 515 CO 0.07 0.47 -0.25 0.00 0.00 0.00 0.00 179.25 179.54 1ub2 h ALA 516 N 1.00 1.26 -5.50 0.00 0.00 -1.15 -3.43 119.26 111.45 1ub2 h ALA 516 Ca 0.17 -0.23 -0.49 0.00 0.00 0.00 0.00 54.91 54.36 1ub2 h ALA 516 Cb 0.39 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1ub2 h ALA 516 CO 0.01 0.31 -0.24 0.25 0.00 0.00 0.00 179.25 179.58 1ub2 n THR 517 N -3.78 0.00 -0.52 0.00 -2.24 -0.24 -5.02 114.28 102.48 1ub2 n THR 517 Ca -0.01 -1.85 0.10 0.00 -2.27 0.00 0.00 64.05 60.02 1ub2 n THR 517 Cb 0.35 -0.06 0.33 0.00 -2.10 0.00 0.00 70.33 68.85 1ub2 n THR 517 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ub2 n GLY 518 N -0.52 2.74 3.81 3.38 0.00 -1.25 -4.76 105.19 108.59 1ub2 n GLY 518 Ca -0.03 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 1ub2 n GLY 518 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub2 s ALA 519 N -1.55 3.47 0.68 4.61 0.00 -1.25 -4.48 121.76 123.25 1ub2 s ALA 519 Ca 0.48 0.12 -0.14 0.00 0.00 0.00 0.00 51.96 52.42 1ub2 s ALA 519 Cb 0.29 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.66 1ub2 s ALA 519 CO 0.26 0.35 1.11 0.95 0.00 0.00 0.00 175.76 178.44 1ub2 s THR 520 N -1.40 3.18 0.30 0.00 -4.23 -1.26 -4.48 115.64 107.76 1ub2 s THR 520 Ca 0.39 0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1ub2 s THR 520 Cb -0.18 -3.04 0.20 0.00 1.34 0.00 0.00 72.50 70.82 1ub2 s THR 520 CO 0.21 -0.36 1.90 0.58 -0.54 0.00 0.00 174.62 176.41 1ub2 h VAL 521 N -0.15 1.21 -0.16 2.29 2.07 -1.90 -0.45 116.25 119.15 1ub2 h VAL 521 Ca -0.46 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1ub2 h VAL 521 Cb 1.25 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1ub2 h VAL 521 CO 0.53 0.25 0.09 0.00 0.02 0.00 0.00 177.57 178.46 1ub2 h ALA 522 N 1.44 0.21 -0.40 1.67 0.00 -1.87 -0.01 119.26 120.30 1ub2 h ALA 522 Ca 0.21 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ub2 h ALA 522 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ub2 h ALA 522 CO -0.02 -0.27 0.04 -0.44 0.00 0.00 0.00 179.25 178.55 1ub2 h ASP 523 N 0.17 0.57 -0.32 0.00 5.19 -1.71 -2.77 116.42 117.54 1ub2 h ASP 523 Ca 0.06 -0.10 -0.17 0.00 -0.62 0.00 0.00 57.03 56.19 1ub2 h ASP 523 Cb 0.05 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.41 1ub2 h ASP 523 CO -0.01 0.61 -0.47 0.58 -3.12 0.00 0.00 179.24 176.84 1ub2 h VAL 524 N 0.59 1.28 -0.73 -1.35 2.07 -0.66 -0.61 116.25 116.83 1ub2 h VAL 524 Ca 0.13 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 1ub2 h VAL 524 Cb 0.31 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1ub2 h VAL 524 CO 0.01 0.54 0.26 0.40 0.02 0.00 0.00 177.57 178.80 1ub2 h ILE 525 N 0.68 1.25 -0.07 4.57 2.04 -0.85 0.80 117.51 125.93 1ub2 h ILE 525 Ca 0.03 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 1ub2 h ILE 525 Cb 1.07 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1ub2 h ILE 525 CO 0.11 0.33 -0.11 0.58 0.00 0.00 0.00 178.15 179.06 1ub2 h VAL 526 N 1.06 1.39 -0.57 1.67 2.07 -1.43 -2.38 116.25 118.07 1ub2 h VAL 526 Ca 0.24 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.45 1ub2 h VAL 526 Cb 0.24 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1ub2 h VAL 526 CO -0.02 0.37 0.38 0.25 0.02 0.00 0.00 177.57 178.58 1ub2 h LEU 527 N -0.26 0.56 -0.30 2.57 5.85 -0.95 -0.41 115.31 122.38 1ub2 h LEU 527 Ca 0.01 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1ub2 h LEU 527 Cb 0.65 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1ub2 h LEU 527 CO 0.02 0.39 0.03 0.00 -0.34 0.00 0.00 178.44 178.54 1ub2 h ALA 528 N 1.67 0.40 -0.39 1.25 0.00 -0.78 -0.61 119.26 120.80 1ub2 h ALA 528 Ca 0.23 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ub2 h ALA 528 Cb 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1ub2 h ALA 528 CO -0.06 0.12 0.12 0.78 0.00 0.00 0.00 179.25 180.21 1ub2 h GLY 529 N 0.32 0.49 0.94 0.00 0.00 -0.69 0.21 103.07 104.34 1ub2 h GLY 529 Ca 0.09 -0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.46 1ub2 h GLY 529 CO 0.01 0.01 0.45 3.43 0.00 0.00 0.00 176.54 180.44 1ub2 h ASN 530 N 0.28 0.44 -0.19 0.19 4.21 -0.81 -0.31 115.58 119.39 1ub2 h ASN 530 Ca 0.18 0.01 -0.10 0.00 1.21 0.00 0.00 56.30 57.61 1ub2 h ASN 530 Cb 0.17 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1ub2 h ASN 530 CO -0.19 0.26 -0.26 0.58 -1.29 0.00 0.00 177.43 176.52 1ub2 h VAL 531 N 0.48 1.34 -0.44 2.81 2.07 0.57 -0.16 116.25 122.93 1ub2 h VAL 531 Ca 0.31 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.41 1ub2 h VAL 531 Cb 0.57 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 1ub2 h VAL 531 CO -0.10 0.45 0.18 1.23 0.02 0.00 0.00 177.57 179.35 1ub2 h GLY 532 N 0.17 0.58 0.98 2.17 0.00 0.26 0.36 103.07 107.59 1ub2 h GLY 532 Ca 0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1ub2 h GLY 532 CO 0.06 0.06 0.18 -2.08 0.00 0.00 0.00 176.54 174.75 1ub2 h VAL 533 N 0.37 1.23 -0.84 4.60 2.07 -1.07 -1.59 116.25 121.02 1ub2 h VAL 533 Ca 0.20 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1ub2 h VAL 533 Cb 0.16 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1ub2 h VAL 533 CO -0.18 0.29 0.45 -0.33 0.02 0.00 0.00 177.57 177.82 1ub2 h GLU 534 N 0.74 1.18 -0.49 1.57 5.08 -0.22 -0.51 114.58 121.94 1ub2 h GLU 534 Ca 0.17 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1ub2 h GLU 534 Cb 0.26 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1ub2 h GLU 534 CO -0.01 0.88 0.06 1.96 -1.00 0.00 0.00 179.01 180.90 1ub2 h GLN 535 N 1.18 0.77 -0.13 2.33 4.20 -0.04 -1.21 115.11 122.21 1ub2 h GLN 535 Ca 0.30 -0.18 -0.19 0.00 0.06 0.00 0.00 58.65 58.64 1ub2 h GLN 535 Cb 0.05 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1ub2 h GLN 535 CO -0.05 0.74 -0.70 0.87 -0.67 0.00 0.00 178.83 179.03 1ub2 h LYS 536 N 0.73 0.55 -0.26 1.46 1.79 -0.65 -1.97 116.57 118.22 1ub2 h LYS 536 Ca 0.15 -0.42 -0.13 0.00 -2.18 0.00 0.00 60.65 58.07 1ub2 h LYS 536 Cb 0.36 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1ub2 h LYS 536 CO 0.01 1.04 -0.39 0.00 -1.08 0.00 0.00 179.45 179.03 1ub2 h ALA 537 N 0.85 0.83 -0.77 3.86 0.00 -0.92 -2.41 119.26 120.70 1ub2 h ALA 537 Ca -0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1ub2 h ALA 537 Cb 1.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1ub2 h ALA 537 CO 0.13 0.64 0.37 -0.09 0.00 0.00 0.00 179.25 180.31 1ub2 h ARG 538 N 0.50 1.11 0.00 0.00 2.43 -0.43 0.25 114.38 118.23 1ub2 h ARG 538 Ca 0.04 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1ub2 h ARG 538 Cb 0.90 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1ub2 h ARG 538 CO 0.08 0.85 -0.06 0.00 -1.51 0.00 0.00 179.97 179.33 1ub2 h ALA 539 N 1.31 1.06 -0.51 2.80 0.00 -1.17 0.63 119.26 123.38 1ub2 h ALA 539 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ub2 h ALA 539 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ub2 h ALA 539 CO -0.03 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1ub2 n ALA 540 N -2.15 3.55 -3.41 0.00 0.00 -0.80 -4.91 120.51 112.79 1ub2 n ALA 540 Ca -0.01 -1.59 -0.19 0.00 0.00 0.00 0.00 53.44 51.66 1ub2 n ALA 540 Cb 0.27 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 18.71 1ub2 n ALA 540 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub2 n GLY 541 N 0.65 -0.37 2.91 0.00 0.00 0.21 -5.02 105.19 103.58 1ub2 n GLY 541 Ca 0.24 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 1ub2 n GLY 541 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub2 s VAL 542 N -3.32 0.72 -0.20 1.61 1.01 0.82 -4.98 120.40 116.05 1ub2 s VAL 542 Ca 0.23 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1ub2 s VAL 542 Cb -0.10 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1ub2 s VAL 542 CO 0.68 0.28 0.12 -1.61 0.00 0.00 0.00 175.10 174.57 1ub2 s GLU 543 N 1.10 4.12 -0.03 2.72 0.41 -1.26 -1.82 118.70 123.93 1ub2 s GLU 543 Ca -0.08 -0.26 -0.22 0.00 -0.41 0.00 0.00 54.97 54.01 1ub2 s GLU 543 Cb -0.14 -3.40 0.04 0.00 -1.78 0.00 0.00 34.13 28.85 1ub2 s GLU 543 CO -0.01 0.25 0.47 0.96 -0.49 0.00 0.00 175.26 176.44 1ub2 s ILE 544 N 0.50 0.03 -0.24 -1.63 -4.36 -1.26 -5.06 121.20 109.18 1ub2 s ILE 544 Ca 0.07 -0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.20 1ub2 s ILE 544 Cb -0.12 -0.78 0.04 0.00 1.25 0.00 0.00 42.46 42.85 1ub2 s ILE 544 CO -0.00 -0.15 -0.10 -0.69 0.24 0.00 0.00 174.94 174.24 1ub2 s VAL 545 N -1.24 2.48 0.15 8.37 1.01 -1.26 -4.90 120.40 125.00 1ub2 s VAL 545 Ca -0.12 -1.24 -0.30 0.00 0.00 0.00 0.00 61.98 60.31 1ub2 s VAL 545 Cb -0.03 -2.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.99 1ub2 s VAL 545 CO 0.07 0.17 1.05 -0.76 0.00 0.00 0.00 175.10 175.63 1ub2 s LEU 546 N 1.24 4.49 0.80 3.92 1.43 -1.26 -5.00 118.68 124.29 1ub2 s LEU 546 Ca -0.02 1.98 -0.14 0.00 -1.03 0.00 0.00 54.13 54.91 1ub2 s LEU 546 Cb -0.17 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.49 1ub2 s LEU 546 CO -0.06 -0.18 0.92 -2.65 0.23 0.00 0.00 176.35 174.61 1ub2 n PRO 547 N 2.62 0.20 -3.62 1.29 -0.02 -1.26 -5.02 135.00 129.19 1ub2 n PRO 547 Ca 0.03 0.13 -0.16 0.00 -2.02 0.00 0.00 63.50 61.48 1ub2 n PRO 547 Cb 0.47 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 1ub2 n PRO 547 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1ub2 s PHE 548 N -2.07 -0.55 -0.08 6.00 5.36 -1.26 -5.03 117.98 120.36 1ub2 s PHE 548 Ca 0.70 1.05 -0.02 0.00 -0.96 0.00 0.00 56.93 57.69 1ub2 s PHE 548 Cb -0.30 0.29 0.03 0.00 -0.34 0.00 0.00 43.02 42.70 1ub2 s PHE 548 CO 0.54 -0.48 0.02 0.00 -1.46 0.00 0.00 175.22 173.84 1ub2 s ALA 549 N -0.83 0.60 0.79 11.12 0.00 -1.26 -5.14 121.76 127.04 1ub2 s ALA 549 Ca -0.09 -0.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 1ub2 s ALA 549 Cb -0.02 -0.76 0.07 0.00 0.00 0.00 0.00 23.12 22.40 1ub2 s ALA 549 CO 0.06 -0.55 1.10 -2.14 0.00 0.00 0.00 175.76 174.23 1ub2 s PRO 550 N 2.02 2.14 0.00 0.00 0.02 -1.26 -4.69 135.00 133.23 1ub2 s PRO 550 Ca 0.04 0.58 0.00 0.00 0.02 0.00 0.00 61.00 61.64 1ub2 s PRO 550 Cb -0.13 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1ub2 s PRO 550 CO -0.05 -1.57 0.00 0.41 -0.33 0.00 0.00 177.00 175.46 1ub2 n GLY 551 N -2.27 1.59 3.76 0.52 0.00 -1.26 -4.92 105.19 102.61 1ub2 n GLY 551 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1ub2 n GLY 551 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ub2 s ARG 552 N 0.00 3.57 0.38 1.61 0.52 -1.26 -0.96 118.95 122.80 1ub2 s ARG 552 Ca 0.00 2.37 0.08 0.00 -0.52 0.00 0.00 55.73 57.65 1ub2 s ARG 552 Cb 0.00 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 1ub2 s ARG 552 CO 0.00 -0.90 0.24 0.20 0.02 0.00 0.00 175.30 174.87 1ub2 s GLY 553 N -0.62 2.07 -0.18 -3.53 0.00 -1.20 -3.48 107.32 100.38 1ub2 s GLY 553 Ca 0.63 -1.89 -0.07 0.00 0.00 0.00 0.00 44.72 43.40 1ub2 s GLY 553 CO 0.54 -1.75 0.05 0.99 0.00 0.00 0.00 173.10 172.93 1ub2 s ASP 554 N -3.97 5.57 0.17 1.64 1.01 -1.26 -3.18 116.67 116.64 1ub2 s ASP 554 Ca 0.42 0.08 -0.06 0.00 0.71 0.00 0.00 52.55 53.70 1ub2 s ASP 554 Cb -0.02 -1.94 -0.06 0.00 1.01 0.00 0.00 42.92 41.92 1ub2 s ASP 554 CO 0.25 0.19 0.42 0.00 0.21 0.00 0.00 175.17 176.23 1ub2 s ALA 555 N 0.29 3.74 0.33 5.23 0.00 0.84 -4.49 121.76 127.71 1ub2 s ALA 555 Ca 0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 1ub2 s ALA 555 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 1ub2 s ALA 555 CO 0.00 0.63 0.59 0.95 0.00 0.00 0.00 175.76 177.93 1ub2 s THR 556 N -1.70 5.02 0.40 0.00 -4.23 -1.26 -4.87 115.64 109.01 1ub2 s THR 556 Ca 0.43 -0.05 0.25 0.00 -1.18 0.00 0.00 61.69 61.14 1ub2 s THR 556 Cb -0.12 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.21 1ub2 s THR 556 CO 0.24 -0.47 2.04 0.00 -0.54 0.00 0.00 174.62 175.89 1ub2 h ALA 557 N 1.21 1.32 -0.28 3.99 0.00 -1.97 -2.08 119.26 121.45 1ub2 h ALA 557 Ca -0.48 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 1ub2 h ALA 557 Cb 1.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ub2 h ALA 557 CO 0.64 0.18 -0.41 1.05 0.00 0.00 0.00 179.25 180.71 1ub2 h GLU 558 N 0.00 0.69 -0.89 0.00 4.11 -2.01 -2.81 114.58 113.67 1ub2 h GLU 558 Ca -0.00 -0.36 -0.28 0.00 0.07 0.00 0.00 59.36 58.78 1ub2 h GLU 558 Cb 0.36 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.46 1ub2 h GLU 558 CO 0.02 0.97 0.36 1.04 0.07 0.00 0.00 179.01 181.47 1ub2 n GLN 559 N -4.03 2.73 -3.85 1.06 6.02 -0.81 -4.77 117.38 113.73 1ub2 n GLN 559 Ca -0.02 -2.48 -0.29 0.00 -0.01 0.00 0.00 57.00 54.20 1ub2 n GLN 559 Cb 0.53 -2.01 -0.16 0.00 1.02 0.00 0.00 30.24 29.62 1ub2 n GLN 559 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1ub2 s THR 560 N -2.60 1.09 -0.74 5.09 2.01 -1.06 -4.27 115.64 115.16 1ub2 s THR 560 Ca 0.46 -0.89 -0.26 0.00 0.31 0.00 0.00 61.69 61.30 1ub2 s THR 560 Cb 0.37 -1.44 0.04 0.00 0.01 0.00 0.00 72.50 71.48 1ub2 s THR 560 CO 0.10 -0.12 1.24 -0.62 -0.69 0.00 0.00 174.62 174.53 1ub2 s ASP 561 N 1.60 6.17 0.35 3.53 -1.08 -1.26 -4.89 116.67 121.09 1ub2 s ASP 561 Ca -0.03 -0.56 0.09 0.00 -0.52 0.00 0.00 52.55 51.52 1ub2 s ASP 561 Cb -0.18 -2.54 0.82 0.00 -1.46 0.00 0.00 42.92 39.56 1ub2 s ASP 561 CO -0.07 -1.77 1.85 0.74 0.52 0.00 0.00 175.17 176.45 1ub2 h THR 562 N 6.04 0.81 -0.08 1.71 2.02 -1.91 -1.95 112.91 119.55 1ub2 h THR 562 Ca -0.27 -0.24 -0.21 0.00 0.77 0.00 0.00 66.41 66.47 1ub2 h THR 562 Cb 1.05 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1ub2 h THR 562 CO 1.27 0.13 -0.79 -0.33 0.37 0.00 0.00 175.52 176.16 1ub2 h GLU 563 N 0.70 0.53 0.00 6.66 4.39 -1.99 -3.17 114.58 121.69 1ub2 h GLU 563 Ca 0.47 -0.46 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ub2 h GLU 563 Cb 0.77 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1ub2 h GLU 563 CO -0.23 1.09 -0.00 0.66 -1.16 0.00 0.00 179.01 179.37 1ub2 h SER 564 N 0.35 0.00 0.88 1.42 4.64 -1.79 -3.03 113.55 116.01 1ub2 h SER 564 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1ub2 h SER 564 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1ub2 h SER 564 CO 0.15 0.00 -0.25 0.49 -0.87 0.00 0.00 176.83 176.35 1ub2 n PHE 565 N -3.10 0.19 -0.01 4.77 3.01 -0.82 -3.87 117.46 117.63 1ub2 n PHE 565 Ca 0.02 0.06 0.11 0.00 1.01 0.00 0.00 57.45 58.65 1ub2 n PHE 565 Cb 0.40 -0.50 0.54 0.00 -0.01 0.00 0.00 39.48 39.91 1ub2 n PHE 565 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ub2 h ALA 566 N 2.87 2.04 0.00 4.37 0.00 -1.53 -0.90 119.26 126.11 1ub2 h ALA 566 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ub2 h ALA 566 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ub2 h ALA 566 CO 0.00 -0.14 0.00 0.28 0.00 0.00 0.00 179.25 179.39 1ub2 h VAL 567 N 0.31 0.00 -0.48 0.00 2.07 -1.78 -2.45 116.25 113.92 1ub2 h VAL 567 Ca 0.21 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ub2 h VAL 567 Cb 0.45 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1ub2 h VAL 567 CO -0.05 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.72 1ub2 n LEU 568 N -2.76 3.56 -4.73 2.57 4.77 -0.34 -4.88 117.00 115.18 1ub2 n LEU 568 Ca 0.01 -1.65 -0.42 0.00 -0.03 0.00 0.00 56.01 53.92 1ub2 n LEU 568 Cb 0.25 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1ub2 n LEU 568 CO 0.23 0.81 1.21 -0.70 -1.33 0.00 0.00 177.39 177.61 1ub2 s GLU 569 N -1.32 4.20 -1.17 3.23 2.12 -0.93 -4.84 118.70 119.99 1ub2 s GLU 569 Ca 0.40 2.41 -0.20 0.00 0.36 0.00 0.00 54.97 57.94 1ub2 s GLU 569 Cb 0.23 -3.11 0.06 0.00 0.26 0.00 0.00 34.13 31.58 1ub2 s GLU 569 CO 0.31 -0.57 1.60 -1.25 -0.54 0.00 0.00 175.26 174.82 1ub2 s PRO 570 N 0.34 3.82 0.04 4.30 0.04 -1.26 -4.67 135.00 137.60 1ub2 s PRO 570 Ca 0.66 -1.63 0.27 0.00 0.04 0.00 0.00 61.00 60.34 1ub2 s PRO 570 Cb -0.45 -5.45 1.11 0.00 0.04 0.00 0.00 34.50 29.76 1ub2 s PRO 570 CO 0.38 -2.23 1.86 0.44 0.04 0.00 0.00 177.00 177.50 1ub2 n ILE 571 N 6.57 0.20 -3.69 0.56 -5.35 -1.26 -4.41 119.36 111.98 1ub2 n ILE 571 Ca 0.42 -0.02 -0.14 0.00 -0.27 0.00 0.00 62.75 62.74 1ub2 n ILE 571 Cb 0.48 -0.57 -0.09 0.00 -1.74 0.00 0.00 39.64 37.72 1ub2 n ILE 571 CO 0.00 0.00 0.00 -1.38 -1.76 0.00 0.00 176.55 173.41 1ub2 s HIS 572 N -3.02 -0.55 -0.30 4.28 -3.43 -1.26 -1.05 115.29 109.96 1ub2 s HIS 572 Ca 0.13 1.32 0.05 0.00 -0.80 0.00 0.00 55.06 55.75 1ub2 s HIS 572 Cb 0.17 0.20 0.20 0.00 -1.43 0.00 0.00 32.58 31.72 1ub2 s HIS 572 CO 0.51 -0.30 0.63 0.34 -2.00 0.00 0.00 174.74 173.93 1ub2 s ASP 573 N 0.11 -1.53 0.38 7.38 2.15 -0.15 -5.01 116.67 120.01 1ub2 s ASP 573 Ca -0.01 0.14 0.14 0.00 0.43 0.00 0.00 52.55 53.24 1ub2 s ASP 573 Cb -0.04 1.96 0.77 0.00 -0.30 0.00 0.00 42.92 45.32 1ub2 s ASP 573 CO 0.01 -0.27 1.84 0.00 -0.17 0.00 0.00 175.17 176.58 1ub2 h ALA 574 N 7.88 1.38 -0.00 3.66 0.00 -1.91 -0.47 119.26 129.80 1ub2 h ALA 574 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ub2 h ALA 574 Cb 1.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ub2 h ALA 574 CO 0.13 0.44 0.01 0.82 0.00 0.00 0.00 179.25 180.64 1ub2 h ILE 575 N 0.00 0.01 0.00 0.00 2.04 -1.95 -0.05 117.51 117.57 1ub2 h ILE 575 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1ub2 h ILE 575 Cb 0.64 0.99 -0.10 0.00 -0.74 0.00 0.00 36.82 37.60 1ub2 h ILE 575 CO 0.05 0.00 -0.56 0.00 0.00 0.00 0.00 178.15 177.64 1ub2 n ALA 576 N -2.08 2.95 -3.93 1.87 0.00 -0.77 -4.79 120.51 113.76 1ub2 n ALA 576 Ca -0.03 -2.75 -0.30 0.00 0.00 0.00 0.00 53.44 50.36 1ub2 n ALA 576 Cb 0.08 -0.47 -0.00 0.00 0.00 0.00 0.00 19.45 19.06 1ub2 n ALA 576 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ub2 n THR 577 N -0.66 -1.54 -5.02 0.00 5.66 -0.03 -1.61 114.28 111.08 1ub2 n THR 577 Ca 0.14 -0.39 -0.29 0.00 -3.05 0.00 0.00 64.05 60.46 1ub2 n THR 577 Cb 0.80 -1.33 -0.16 0.00 -1.55 0.00 0.00 70.33 68.08 1ub2 n THR 577 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1ub2 s GLY 578 N -3.99 1.10 -0.17 1.09 0.00 -0.26 -4.56 107.32 100.55 1ub2 s GLY 578 Ca 0.27 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 44.12 1ub2 s GLY 578 CO 0.67 -0.39 0.07 -0.56 0.00 0.00 0.00 173.10 172.89 1ub2 s SER 579 N 0.10 2.41 0.25 1.64 0.01 -1.26 -0.98 113.70 115.88 1ub2 s SER 579 Ca -0.08 -0.62 -0.05 0.00 1.31 0.00 0.00 55.95 56.52 1ub2 s SER 579 Cb -0.14 -0.35 0.32 0.00 0.21 0.00 0.00 66.02 66.07 1ub2 s SER 579 CO 0.04 -0.33 1.89 -1.28 0.41 0.00 0.00 173.24 173.98 1ub2 h SER 580 N 8.37 1.02 -5.16 2.44 0.87 -1.42 -3.45 113.55 116.21 1ub2 h SER 580 Ca -0.15 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 1ub2 h SER 580 Cb 1.14 -0.23 -0.10 0.00 -0.44 0.00 0.00 62.40 62.77 1ub2 h SER 580 CO 0.29 0.69 -0.06 0.00 -0.53 0.00 0.00 176.83 177.22 1ub2 s ARG 581 N -6.08 1.43 0.26 2.24 1.70 -1.26 -5.12 118.95 112.12 1ub2 s ARG 581 Ca -0.13 -1.06 -0.31 0.00 -0.47 0.00 0.00 55.73 53.77 1ub2 s ARG 581 Cb 0.19 0.49 -0.11 0.00 -0.57 0.00 0.00 34.95 34.94 1ub2 s ARG 581 CO 0.81 -0.60 1.62 0.99 -1.08 0.00 0.00 175.30 177.03 1ub2 s THR 582 N -3.94 2.13 0.12 4.99 2.01 -1.26 -5.00 115.64 114.68 1ub2 s THR 582 Ca 0.15 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.31 1ub2 s THR 582 Cb -0.01 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1ub2 s THR 582 CO 0.03 0.01 -0.12 -0.04 -0.69 0.00 0.00 174.62 173.81 1ub2 s MET 583 N 0.03 0.97 0.21 4.92 -1.94 -1.26 -5.05 119.30 117.18 1ub2 s MET 583 Ca 0.66 -1.23 -0.09 0.00 -1.71 0.00 0.00 55.69 53.32 1ub2 s MET 583 Cb -0.48 -0.77 0.16 0.00 2.01 0.00 0.00 34.83 35.75 1ub2 s MET 583 CO 0.43 0.14 1.81 0.07 -0.01 0.00 0.00 175.02 177.45 1ub2 h ARG 584 N 3.47 1.12 -6.99 2.03 0.11 -2.08 -3.43 114.38 108.61 1ub2 h ARG 584 Ca -0.39 -0.16 -0.54 0.00 0.10 0.00 0.00 59.98 58.99 1ub2 h ARG 584 Cb 1.19 -0.20 0.12 0.00 1.11 0.00 0.00 29.97 32.19 1ub2 h ARG 584 CO 0.52 0.86 0.71 -0.65 0.10 0.00 0.00 179.97 181.51 1ub2 s GLN 585 N -5.73 3.69 0.59 0.08 1.11 -1.26 -4.99 119.66 113.15 1ub2 s GLN 585 Ca -0.13 2.43 -0.17 0.00 0.01 0.00 0.00 55.36 57.51 1ub2 s GLN 585 Cb 0.15 -2.66 -0.03 0.00 -1.01 0.00 0.00 33.01 29.46 1ub2 s GLN 585 CO 0.82 -0.82 1.08 1.03 0.01 0.00 0.00 175.29 177.41 1ub2 s ARG 586 N -2.45 3.21 0.22 2.91 3.00 -1.26 -4.87 118.95 119.71 1ub2 s ARG 586 Ca 0.61 1.34 -0.07 0.00 0.00 0.00 0.00 55.73 57.61 1ub2 s ARG 586 Cb -0.44 -2.01 0.19 0.00 0.00 0.00 0.00 34.95 32.69 1ub2 s ARG 586 CO 0.57 -0.91 1.83 -0.07 0.00 0.00 0.00 175.30 176.71 1ub2 h LEU 587 N 0.55 1.10 -1.02 2.53 4.07 -1.94 -0.26 115.31 120.34 1ub2 h LEU 587 Ca -0.48 -0.13 -0.08 0.00 0.08 0.00 0.00 57.88 57.28 1ub2 h LEU 587 Cb 1.23 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.68 1ub2 h LEU 587 CO 0.56 0.92 -0.37 0.07 -1.08 0.00 0.00 178.44 178.54 1ub2 h LYS 588 N 1.21 0.00 -0.19 1.13 -0.00 -1.92 0.75 116.57 117.55 1ub2 h LYS 588 Ca 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.93 1ub2 h LYS 588 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.32 1ub2 h LYS 588 CO -0.04 0.37 0.06 -0.91 -0.00 0.00 0.00 179.45 178.93 1ub2 h ASN 589 N 0.00 0.27 -0.59 7.07 2.35 -1.53 0.12 115.58 123.26 1ub2 h ASN 589 Ca -0.00 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 1ub2 h ASN 589 Cb 0.85 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 1ub2 h ASN 589 CO 0.05 0.39 0.27 0.00 -1.65 0.00 0.00 177.43 176.49 1ub2 h LEU 592 N 0.02 0.90 -0.25 0.00 5.85 -0.41 -1.22 115.31 120.19 1ub2 h LEU 592 Ca 0.07 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1ub2 h LEU 592 Cb 0.09 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1ub2 h LEU 592 CO -0.13 0.62 -0.43 -0.29 -0.34 0.00 0.00 178.44 177.87 1ub2 h ILE 593 N 1.04 1.30 -0.47 4.05 2.10 -0.70 -1.73 117.51 123.10 1ub2 h ILE 593 Ca 0.33 -1.63 -0.03 0.00 1.08 0.00 0.00 64.86 64.61 1ub2 h ILE 593 Cb 0.02 1.71 -0.02 0.00 -1.09 0.00 0.00 36.82 37.45 1ub2 h ILE 593 CO -0.10 0.52 0.18 0.00 -1.08 0.00 0.00 178.15 177.68 1ub2 h ALA 594 N 0.65 0.61 0.00 0.18 0.00 -0.91 -2.12 119.26 117.67 1ub2 h ALA 594 Ca 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1ub2 h ALA 594 Cb 1.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1ub2 h ALA 594 CO 0.10 0.22 -0.22 1.79 0.00 0.00 0.00 179.25 181.14 1ub2 h THR 595 N 0.61 1.04 -0.24 0.00 1.35 -1.17 0.05 112.91 114.55 1ub2 h THR 595 Ca 0.16 -0.77 -0.09 0.00 -0.55 0.00 0.00 66.41 65.15 1ub2 h THR 595 Cb 0.20 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1ub2 h THR 595 CO -0.01 0.21 -0.21 -0.61 -0.25 0.00 0.00 175.52 174.64 1ub2 h GLN 596 N 0.00 0.56 -0.61 4.72 -0.00 -0.95 -1.59 115.11 117.24 1ub2 h GLN 596 Ca -0.00 -0.29 -0.05 0.00 -0.00 0.00 0.00 58.65 58.31 1ub2 h GLN 596 Cb 0.41 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 27.87 1ub2 h GLN 596 CO 0.03 0.88 0.19 -0.07 0.00 0.00 0.00 178.83 179.85 1ub2 h LEU 597 N 0.26 0.85 -1.45 -2.39 3.38 -0.92 -2.24 115.31 112.80 1ub2 h LEU 597 Ca 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ub2 h LEU 597 Cb 0.76 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ub2 h LEU 597 CO 0.05 0.80 0.00 -0.07 0.09 0.00 0.00 178.44 179.31 1ub2 h LEU 598 N 0.89 0.00 0.00 1.67 3.38 -0.88 0.22 115.31 120.60 1ub2 h LEU 598 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ub2 h LEU 598 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ub2 h LEU 598 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1ub2 n GLY 599 N -0.15 0.59 3.88 0.83 0.00 -0.84 -4.86 105.19 104.64 1ub2 n GLY 599 Ca 0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 1ub2 n GLY 599 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub2 s LEU 600 N 0.00 4.30 0.71 0.99 1.43 -0.64 -5.05 118.68 120.43 1ub2 s LEU 600 Ca 0.00 0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1ub2 s LEU 600 Cb 0.00 -3.16 0.08 0.00 0.03 0.00 0.00 46.19 43.14 1ub2 s LEU 600 CO 0.00 0.11 1.01 0.42 0.23 0.00 0.00 176.35 178.12 1ub2 s THR 601 N -1.53 2.28 0.16 5.49 -4.23 -1.26 -4.57 115.64 111.98 1ub2 s THR 601 Ca 0.37 -0.32 -0.12 0.00 -1.18 0.00 0.00 61.69 60.44 1ub2 s THR 601 Cb -0.13 -2.96 0.05 0.00 1.34 0.00 0.00 72.50 70.80 1ub2 s THR 601 CO 0.20 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.96 1ub2 h ALA 602 N -0.61 0.72 -0.66 3.99 0.00 -1.91 0.76 119.26 121.56 1ub2 h ALA 602 Ca -0.43 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1ub2 h ALA 602 Cb 1.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1ub2 h ALA 602 CO 0.56 0.42 0.25 -1.35 0.00 0.00 0.00 179.25 179.13 1ub2 h PRO 603 N 0.78 0.97 -0.29 0.00 0.11 -1.97 -0.48 132.00 131.12 1ub2 h PRO 603 Ca 0.17 -0.16 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 1ub2 h PRO 603 Cb 0.33 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1ub2 h PRO 603 CO 0.00 0.80 -0.08 0.93 -0.21 0.00 0.00 178.00 179.44 1ub2 h GLU 604 N 0.95 0.57 -0.94 1.05 5.08 -1.85 -2.23 114.58 117.21 1ub2 h GLU 604 Ca 0.22 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1ub2 h GLU 604 Cb 0.20 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1ub2 h GLU 604 CO -0.02 0.77 0.61 1.98 -1.00 0.00 0.00 179.01 181.35 1ub2 h MET 605 N 0.32 1.16 0.16 2.33 4.05 -0.57 -1.88 114.93 120.50 1ub2 h MET 605 Ca 0.07 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1ub2 h MET 605 Cb 0.57 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1ub2 h MET 605 CO 0.03 0.76 -0.08 1.15 0.23 0.00 0.00 176.91 179.01 1ub2 h THR 606 N 1.19 0.91 -0.55 -0.77 2.02 -0.90 -1.64 112.91 113.18 1ub2 h THR 606 Ca 0.37 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 1ub2 h THR 606 Cb -0.02 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1ub2 h THR 606 CO -0.12 0.08 0.08 -0.37 0.37 0.00 0.00 175.52 175.56 1ub2 h VAL 607 N -0.37 1.24 -0.07 3.16 -1.51 -1.30 -2.06 116.25 115.33 1ub2 h VAL 607 Ca -0.02 -0.94 0.02 0.00 -1.23 0.00 0.00 66.70 64.53 1ub2 h VAL 607 Cb 0.29 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 30.17 1ub2 h VAL 607 CO 0.04 0.34 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.61 1ub2 h LEU 608 N 0.83 -0.14 -0.46 4.19 4.07 -1.24 0.14 115.31 122.70 1ub2 h LEU 608 Ca 0.17 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.17 1ub2 h LEU 608 Cb 0.38 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.17 1ub2 h LEU 608 CO 0.01 -0.06 0.30 0.40 -1.08 0.00 0.00 178.44 178.01 1ub2 h ILE 609 N -0.04 1.10 -0.66 1.22 1.08 -1.10 -0.54 117.51 118.56 1ub2 h ILE 609 Ca 0.04 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.28 1ub2 h ILE 609 Cb 0.11 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.27 1ub2 h ILE 609 CO -0.10 0.11 0.31 1.23 -0.69 0.00 0.00 178.15 179.01 1ub2 h GLY 610 N 0.61 1.02 0.35 5.37 0.00 -0.98 -2.30 103.07 107.14 1ub2 h GLY 610 Ca 0.17 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1ub2 h GLY 610 CO -0.05 0.47 -0.08 -1.33 0.00 0.00 0.00 176.54 175.55 1ub2 h GLY 611 N 1.02 -0.23 0.82 4.60 0.00 -0.36 -3.13 103.07 105.78 1ub2 h GLY 611 Ca 0.23 0.09 0.13 0.00 0.00 0.00 0.00 47.33 47.77 1ub2 h GLY 611 CO -0.03 -0.08 0.47 1.41 0.00 0.00 0.00 176.54 178.30 1ub2 h LEU 612 N -0.87 0.38 -0.16 3.11 3.38 -1.13 -1.70 115.31 118.32 1ub2 h LEU 612 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ub2 h LEU 612 Cb 0.52 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1ub2 h LEU 612 CO 0.04 0.21 0.02 0.03 0.09 0.00 0.00 178.44 178.83 1ub2 h ARG 613 N 0.41 0.27 0.00 1.13 2.47 -1.48 -2.82 114.38 114.36 1ub2 h ARG 613 Ca 0.33 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 1ub2 h ARG 613 Cb 0.74 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1ub2 h ARG 613 CO -0.10 0.45 0.00 1.33 0.56 0.00 0.00 179.97 182.21 1ub2 n VAL 614 N -4.78 0.67 1.45 2.04 0.24 -0.72 -2.14 118.33 115.09 1ub2 n VAL 614 Ca -0.05 0.03 0.15 0.00 -2.04 0.00 0.00 64.34 62.43 1ub2 n VAL 614 Cb 0.19 -0.87 0.74 0.00 -1.47 0.00 0.00 33.84 32.43 1ub2 n VAL 614 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ub2 n LEU 615 N -2.07 0.09 -2.62 1.34 4.77 -0.73 -0.83 117.00 116.95 1ub2 n LEU 615 Ca 0.04 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.16 1ub2 n LEU 615 Cb 0.30 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1ub2 n LEU 615 CO 0.23 0.02 0.06 0.61 -1.33 0.00 0.00 177.39 176.98 1ub2 n GLY 616 N 1.27 -0.54 0.26 -0.72 0.00 -0.91 -4.21 105.19 100.34 1ub2 n GLY 616 Ca 0.15 0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.47 1ub2 n GLY 616 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ub2 n THR 617 N -2.42 0.81 -1.70 2.61 -2.24 -1.14 -4.74 114.28 105.45 1ub2 n THR 617 Ca -0.04 -0.90 -0.37 0.00 -2.27 0.00 0.00 64.05 60.47 1ub2 n THR 617 Cb 0.56 0.61 0.06 0.00 -2.10 0.00 0.00 70.33 69.47 1ub2 n THR 617 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ub2 n ASN 618 N -0.00 1.84 -4.74 3.42 5.03 -1.26 -4.83 115.26 114.72 1ub2 n ASN 618 Ca 0.05 0.84 -0.41 0.00 0.87 0.00 0.00 54.58 55.92 1ub2 n ASN 618 Cb 0.29 -1.52 -0.03 0.00 -1.02 0.00 0.00 39.78 37.49 1ub2 n ASN 618 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1ub2 s HIS 619 N -1.40 3.20 0.00 3.10 5.65 -0.63 -2.21 115.29 122.99 1ub2 s HIS 619 Ca 0.80 1.19 0.00 0.00 0.25 0.00 0.00 55.06 57.30 1ub2 s HIS 619 Cb -0.39 -3.65 0.00 0.00 -1.18 0.00 0.00 32.58 27.36 1ub2 s HIS 619 CO 0.42 -2.05 0.00 0.41 -0.65 0.00 0.00 174.74 172.87 1ub2 n GLY 620 N 2.25 0.51 2.49 1.59 0.00 -1.26 -3.77 105.19 107.00 1ub2 n GLY 620 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1ub2 n GLY 620 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub2 n GLY 621 N -2.89 0.78 3.79 -0.02 0.00 -0.94 -4.97 105.19 100.94 1ub2 n GLY 621 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1ub2 n GLY 621 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ub2 s THR 622 N -2.88 3.51 -1.21 2.61 -1.32 -1.25 -4.96 115.64 110.14 1ub2 s THR 622 Ca 0.00 0.85 0.19 0.00 -1.21 0.00 0.00 61.69 61.52 1ub2 s THR 622 Cb 0.00 -3.33 0.73 0.00 -1.51 0.00 0.00 72.50 68.39 1ub2 s THR 622 CO 0.00 -0.29 1.64 0.29 -2.21 0.00 0.00 174.62 174.05 1ub2 n LYS 623 N -1.52 3.71 -0.33 7.08 4.76 -1.26 -4.54 118.16 126.06 1ub2 n LYS 623 Ca 0.10 -2.90 0.18 0.00 -2.87 0.00 0.00 58.31 52.82 1ub2 n LYS 623 Cb 0.52 -1.89 0.35 0.00 -1.84 0.00 0.00 35.03 32.17 1ub2 n LYS 623 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ub2 h HIS 624 N 4.20 0.21 -1.71 2.13 3.86 -1.93 -0.95 115.15 120.96 1ub2 h HIS 624 Ca 0.00 0.06 -0.48 0.00 -1.16 0.00 0.00 60.37 58.79 1ub2 h HIS 624 Cb 1.44 0.07 -0.41 0.00 1.06 0.00 0.00 27.41 29.57 1ub2 h HIS 624 CO 0.77 -0.40 -1.05 0.28 0.86 0.00 0.00 177.93 178.39 1ub2 n VAL 625 N -5.39 1.01 -0.04 2.45 0.31 -1.26 -2.12 118.33 113.30 1ub2 n VAL 625 Ca 0.26 -4.37 -0.13 0.00 -0.01 0.00 0.00 64.34 60.09 1ub2 n VAL 625 Cb 0.86 -0.31 -0.11 0.00 -0.91 0.00 0.00 33.84 33.36 1ub2 n VAL 625 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ub2 h VAL 626 N 2.09 1.52 -6.26 2.52 2.07 -1.42 -3.43 116.25 113.33 1ub2 h VAL 626 Ca 0.07 -1.76 -0.47 0.00 0.82 0.00 0.00 66.70 65.37 1ub2 h VAL 626 Cb 0.94 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 33.37 1ub2 h VAL 626 CO 0.60 0.44 -0.75 0.49 0.02 0.00 0.00 177.57 178.37 1ub2 n PHE 627 N -4.73 -2.37 -3.77 1.57 0.99 -1.26 -4.56 117.46 103.32 1ub2 n PHE 627 Ca -0.09 0.92 -0.11 0.00 -0.00 0.00 0.00 57.45 58.17 1ub2 n PHE 627 Cb 0.36 -4.08 -0.08 0.00 -1.00 0.00 0.00 39.48 34.68 1ub2 n PHE 627 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1ub2 s THR 628 N -3.30 0.09 -2.64 4.37 2.01 -1.26 -4.22 115.64 110.69 1ub2 s THR 628 Ca 0.66 -0.71 0.22 0.00 0.31 0.00 0.00 61.69 62.18 1ub2 s THR 628 Cb -0.33 -0.91 0.27 0.00 0.01 0.00 0.00 72.50 71.54 1ub2 s THR 628 CO 0.82 -0.39 1.28 0.47 -0.69 0.00 0.00 174.62 176.11 1ub2 n ASP 629 N 0.64 3.09 -3.32 3.53 10.43 -1.26 -4.66 116.55 124.99 1ub2 n ASP 629 Ca -0.19 -1.95 -0.26 0.00 2.57 0.00 0.00 54.79 54.96 1ub2 n ASP 629 Cb 0.59 -0.10 -0.09 0.00 1.84 0.00 0.00 41.12 43.37 1ub2 n ASP 629 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 1ub2 n ARG 630 N 1.33 0.56 -1.97 -1.24 1.85 -1.26 -5.11 116.66 110.81 1ub2 n ARG 630 Ca 0.15 -3.29 -0.39 0.00 -1.00 0.00 0.00 57.85 53.32 1ub2 n ARG 630 Cb 0.57 -1.51 0.01 0.00 -1.05 0.00 0.00 32.46 30.48 1ub2 n ARG 630 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1ub2 s GLU 631 N -0.63 3.69 0.00 2.89 2.02 -1.26 -2.76 118.70 122.65 1ub2 s GLU 631 Ca 0.34 2.17 0.00 0.00 0.02 0.00 0.00 54.97 57.49 1ub2 s GLU 631 Cb 0.10 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1ub2 s GLU 631 CO -0.15 -0.72 0.00 0.41 0.02 0.00 0.00 175.26 174.81 1ub2 n GLY 632 N 0.63 0.74 3.07 -1.39 0.00 -0.01 -4.98 105.19 103.25 1ub2 n GLY 632 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1ub2 n GLY 632 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub2 s VAL 633 N -2.42 1.60 -1.04 1.61 1.01 -1.11 -4.36 120.40 115.68 1ub2 s VAL 633 Ca 0.00 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 1ub2 s VAL 633 Cb 0.00 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.96 1ub2 s VAL 633 CO 0.00 0.46 1.54 -0.22 0.00 0.00 0.00 175.10 176.88 1ub2 s LEU 634 N 1.02 3.49 0.39 3.92 2.96 -0.92 -4.70 118.68 124.85 1ub2 s LEU 634 Ca -0.05 -1.48 0.06 0.00 -0.22 0.00 0.00 54.13 52.44 1ub2 s LEU 634 Cb -0.15 -2.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.90 1ub2 s LEU 634 CO -0.03 -1.63 0.02 0.42 -1.32 0.00 0.00 176.35 173.81 1ub2 s THR 635 N 5.53 1.85 -0.33 3.68 -4.23 -1.26 -4.84 115.64 116.04 1ub2 s THR 635 Ca 0.50 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 1ub2 s THR 635 Cb -0.00 -2.95 0.46 0.00 1.34 0.00 0.00 72.50 71.35 1ub2 s THR 635 CO -0.07 -0.01 1.68 -0.46 -0.54 0.00 0.00 174.62 175.22 1ub2 n ASN 636 N -0.91 3.78 -0.02 3.99 6.94 -1.26 -4.54 115.26 123.25 1ub2 n ASN 636 Ca -0.04 -3.16 0.03 0.00 -0.02 0.00 0.00 54.58 51.39 1ub2 n ASN 636 Cb 0.67 -0.76 0.40 0.00 -2.36 0.00 0.00 39.78 37.73 1ub2 n ASN 636 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1ub2 h ASP 637 N 0.78 0.51 -0.23 0.53 5.19 -1.91 -2.16 116.42 119.13 1ub2 h ASP 637 Ca 0.45 -0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.87 1ub2 h ASP 637 Cb 2.22 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 41.58 1ub2 h ASP 637 CO 0.81 0.38 0.06 0.15 -3.12 0.00 0.00 179.24 177.52 1ub2 h PHE 638 N 0.60 0.11 -0.31 4.55 3.57 -1.80 -1.64 116.94 122.03 1ub2 h PHE 638 Ca 0.16 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.50 1ub2 h PHE 638 Cb -0.06 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 1ub2 h PHE 638 CO 0.00 0.05 -0.48 0.74 -2.23 0.00 0.00 178.31 176.38 1ub2 h PHE 639 N 0.16 1.08 -0.70 0.41 -1.00 -1.83 -0.16 116.94 114.90 1ub2 h PHE 639 Ca 0.10 -0.37 0.01 0.00 2.81 0.00 0.00 57.97 60.52 1ub2 h PHE 639 Cb 0.09 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 1ub2 h PHE 639 CO -0.14 1.19 0.46 0.28 -1.61 0.00 0.00 178.31 178.50 1ub2 h VAL 640 N 0.66 1.18 0.10 -0.55 2.07 -1.29 -1.98 116.25 116.45 1ub2 h VAL 640 Ca 0.03 -0.33 -0.26 0.00 0.82 0.00 0.00 66.70 66.96 1ub2 h VAL 640 Cb 1.09 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1ub2 h VAL 640 CO 0.11 0.18 -1.19 0.78 0.02 0.00 0.00 177.57 177.47 1ub2 h ASN 641 N 0.95 0.33 0.32 0.57 2.35 -1.25 -3.09 115.58 115.76 1ub2 h ASN 641 Ca 0.26 -0.35 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 1ub2 h ASN 641 Cb -0.11 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1ub2 h ASN 641 CO -0.06 1.27 -0.29 0.25 -1.65 0.00 0.00 177.43 176.96 1ub2 h LEU 642 N 0.06 0.00 -1.31 1.61 5.85 -0.92 -2.71 115.31 117.89 1ub2 h LEU 642 Ca -0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1ub2 h LEU 642 Cb 1.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.96 1ub2 h LEU 642 CO 0.19 0.29 -0.03 1.07 -0.34 0.00 0.00 178.44 179.62 1ub2 n THR 643 N -4.13 0.00 -2.89 1.05 5.66 -0.75 -4.88 114.28 108.33 1ub2 n THR 643 Ca -0.02 -0.34 -0.43 0.00 -3.05 0.00 0.00 64.05 60.21 1ub2 n THR 643 Cb 0.34 0.90 -0.05 0.00 -1.55 0.00 0.00 70.33 69.98 1ub2 n THR 643 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ub2 s ASP 644 N -2.04 6.53 0.00 1.09 2.15 -1.02 -4.93 116.67 118.44 1ub2 s ASP 644 Ca 0.33 0.23 0.22 0.00 0.43 0.00 0.00 52.55 53.76 1ub2 s ASP 644 Cb 0.20 -2.42 1.32 0.00 -0.30 0.00 0.00 42.92 41.72 1ub2 s ASP 644 CO 0.34 -0.88 1.70 0.23 -0.17 0.00 0.00 175.17 176.39 1ub2 n MET 645 N 6.75 0.72 0.00 4.34 2.81 -1.26 -2.72 117.12 127.75 1ub2 n MET 645 Ca 0.04 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 56.03 1ub2 n MET 645 Cb 0.48 -1.48 0.49 0.00 -0.71 0.00 0.00 33.22 32.00 1ub2 n MET 645 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ub2 n ASN 646 N -0.98 0.00 -4.56 7.83 3.02 -1.26 -4.69 115.26 114.62 1ub2 n ASN 646 Ca 0.17 -0.02 -0.27 0.00 -0.03 0.00 0.00 54.58 54.43 1ub2 n ASN 646 Cb 0.08 -0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 38.88 1ub2 n ASN 646 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ub2 s TYR 647 N -2.54 2.63 0.19 3.10 1.51 -1.10 -1.10 117.35 120.04 1ub2 s TYR 647 Ca 0.19 -0.22 0.10 0.00 -1.01 0.00 0.00 57.07 56.13 1ub2 s TYR 647 Cb 0.13 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1ub2 s TYR 647 CO 0.29 0.49 -0.21 -0.48 -1.11 0.00 0.00 175.55 174.53 1ub2 s LEU 648 N -2.70 2.46 -0.24 -1.29 0.05 0.25 -4.88 118.68 112.33 1ub2 s LEU 648 Ca 0.24 -0.89 -0.05 0.00 0.05 0.00 0.00 54.13 53.47 1ub2 s LEU 648 Cb -0.09 -1.01 -0.01 0.00 -2.05 0.00 0.00 46.19 43.03 1ub2 s LEU 648 CO 0.14 0.04 0.00 0.26 -0.55 0.00 0.00 176.35 176.25 1ub2 s TRP 649 N -1.98 3.02 -0.24 3.48 0.51 -1.26 -0.99 118.94 121.48 1ub2 s TRP 649 Ca 0.20 -0.78 -0.06 0.00 -2.12 0.00 0.00 56.10 53.34 1ub2 s TRP 649 Cb -0.06 -2.16 -0.02 0.00 -0.81 0.00 0.00 33.47 30.41 1ub2 s TRP 649 CO 0.09 -0.49 0.03 0.15 -0.51 0.00 0.00 176.95 176.22 1ub2 s LYS 650 N 1.52 3.55 0.31 4.98 1.02 -0.47 -4.94 119.74 125.71 1ub2 s LYS 650 Ca 0.06 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.22 1ub2 s LYS 650 Cb -0.15 -3.22 -0.13 0.00 -0.52 0.00 0.00 37.83 33.82 1ub2 s LYS 650 CO -0.01 -0.20 1.33 -2.30 -0.92 0.00 0.00 175.35 173.25 1ub2 n PRO 651 N 4.88 2.12 -3.12 -1.68 -0.02 -1.26 -0.90 135.00 135.02 1ub2 n PRO 651 Ca -0.17 0.75 -0.17 0.00 -2.02 0.00 0.00 63.50 61.89 1ub2 n PRO 651 Cb 0.51 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1ub2 n PRO 651 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ub2 n ALA 652 N 0.80 1.78 0.00 3.55 0.00 0.81 -4.80 120.51 122.65 1ub2 n ALA 652 Ca 0.07 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.32 1ub2 n ALA 652 Cb 0.35 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1ub2 n ALA 652 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub2 n GLY 653 N 0.27 -1.78 3.66 0.00 0.00 -1.25 -4.59 105.19 101.49 1ub2 n GLY 653 Ca 0.22 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1ub2 n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub2 s LYS 654 N 0.00 4.15 -1.62 1.61 1.02 -1.26 -3.43 119.74 120.20 1ub2 s LYS 654 Ca 0.00 2.01 -0.17 0.00 0.02 0.00 0.00 55.97 57.84 1ub2 s LYS 654 Cb 0.00 -3.94 0.14 0.00 -0.52 0.00 0.00 37.83 33.50 1ub2 s LYS 654 CO 0.00 -0.87 0.80 -1.71 -0.92 0.00 0.00 175.35 172.66 1ub2 n ASN 655 N 7.17 -3.69 -3.84 2.83 4.05 -1.26 -4.94 115.26 115.57 1ub2 n ASN 655 Ca 0.17 -0.89 -0.12 0.00 0.45 0.00 0.00 54.58 54.18 1ub2 n ASN 655 Cb 0.43 -3.01 -0.12 0.00 1.23 0.00 0.00 39.78 38.32 1ub2 n ASN 655 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1ub2 s LEU 656 N -7.19 1.53 0.06 1.20 0.20 -1.22 -4.15 118.68 109.11 1ub2 s LEU 656 Ca 0.70 0.17 0.01 0.00 0.69 0.00 0.00 54.13 55.70 1ub2 s LEU 656 Cb -0.37 0.48 -0.03 0.00 -0.43 0.00 0.00 46.19 45.83 1ub2 s LEU 656 CO 0.86 -0.11 -0.06 -0.31 -0.29 0.00 0.00 176.35 176.44 1ub2 s TYR 657 N -0.22 0.69 -0.21 5.38 1.51 0.20 -0.13 117.35 124.57 1ub2 s TYR 657 Ca -0.03 -0.73 -0.06 0.00 -1.01 0.00 0.00 57.07 55.24 1ub2 s TYR 657 Cb -0.02 -0.42 -0.03 0.00 -0.11 0.00 0.00 41.96 41.38 1ub2 s TYR 657 CO 0.00 -0.16 0.03 -1.21 -1.11 0.00 0.00 175.55 173.11 1ub2 s GLU 658 N -2.72 3.70 -0.52 -0.62 2.02 -0.08 -1.50 118.70 118.98 1ub2 s GLU 658 Ca -0.00 -0.48 -0.19 0.00 0.02 0.00 0.00 54.97 54.32 1ub2 s GLU 658 Cb -0.02 -3.18 0.06 0.00 0.10 0.00 0.00 34.13 31.10 1ub2 s GLU 658 CO -0.03 0.00 0.65 0.42 0.02 0.00 0.00 175.26 176.32 1ub2 s ILE 659 N 1.06 4.84 0.08 -1.63 -1.09 0.54 -1.36 121.20 123.64 1ub2 s ILE 659 Ca 0.03 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 57.94 1ub2 s ILE 659 Cb -0.14 -4.34 -0.04 0.00 -1.58 0.00 0.00 42.46 36.36 1ub2 s ILE 659 CO 0.02 -0.87 0.08 0.00 -1.23 0.00 0.00 174.94 172.94 1ub2 s ASP 661 N -2.37 7.16 0.38 0.00 -1.08 -0.53 -0.58 116.67 119.65 1ub2 s ASP 661 Ca 0.29 1.70 0.13 0.00 -0.52 0.00 0.00 52.55 54.14 1ub2 s ASP 661 Cb -0.12 -2.56 0.77 0.00 -1.46 0.00 0.00 42.92 39.54 1ub2 s ASP 661 CO 0.22 -0.49 1.86 0.03 0.52 0.00 0.00 175.17 177.30 1ub2 h ARG 662 N 7.20 0.02 0.14 4.34 3.08 -1.45 0.12 114.38 127.83 1ub2 h ARG 662 Ca -0.34 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 1ub2 h ARG 662 Cb 1.16 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1ub2 h ARG 662 CO 0.85 0.35 -0.07 0.87 -1.07 0.00 0.00 179.97 180.90 1ub2 h LYS 663 N 0.02 -0.18 0.00 0.04 6.56 -1.92 -3.37 116.57 117.71 1ub2 h LYS 663 Ca -0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1ub2 h LYS 663 Cb 0.59 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 1ub2 h LYS 663 CO 0.04 0.02 -0.16 0.25 -2.06 0.00 0.00 179.45 177.54 1ub2 n THR 664 N -4.89 0.04 -2.45 -0.16 -2.24 -1.24 -4.94 114.28 98.40 1ub2 n THR 664 Ca -0.04 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.54 1ub2 n THR 664 Cb 0.14 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.08 1ub2 n THR 664 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ub2 n ASN 665 N -1.56 -5.07 -4.75 3.42 3.02 0.43 -4.98 115.26 105.76 1ub2 n ASN 665 Ca 0.06 0.06 -0.26 0.00 -0.03 0.00 0.00 54.58 54.41 1ub2 n ASN 665 Cb 0.35 -4.25 -0.06 0.00 -0.61 0.00 0.00 39.78 35.21 1ub2 n ASN 665 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1ub2 s GLN 666 N -5.07 2.71 -0.36 3.52 -0.21 -1.24 -4.86 119.66 114.14 1ub2 s GLN 666 Ca 0.01 -0.97 -0.28 0.00 0.02 0.00 0.00 55.36 54.14 1ub2 s GLN 666 Cb -0.01 -2.53 0.02 0.00 1.00 0.00 0.00 33.01 31.49 1ub2 s GLN 666 CO 0.02 0.47 1.06 0.08 -2.12 0.00 0.00 175.29 174.79 1ub2 s VAL 667 N -1.77 4.47 -0.17 1.09 1.01 -1.26 -1.46 120.40 122.31 1ub2 s VAL 667 Ca 0.30 1.54 -0.13 0.00 0.00 0.00 0.00 61.98 63.68 1ub2 s VAL 667 Cb -0.10 -4.43 -0.22 0.00 0.00 0.00 0.00 36.38 31.63 1ub2 s VAL 667 CO 0.22 -0.59 0.26 1.17 0.00 0.00 0.00 175.10 176.16 1ub2 n LYS 668 N 7.03 0.66 -4.12 2.72 3.00 0.04 -5.00 118.16 122.49 1ub2 n LYS 668 Ca 0.11 0.40 -0.13 0.00 -0.00 0.00 0.00 58.31 58.69 1ub2 n LYS 668 Cb 0.48 -1.71 -0.07 0.00 0.00 0.00 0.00 35.03 33.72 1ub2 n LYS 668 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1ub2 s TRP 669 N -2.47 0.99 0.36 5.64 0.51 -1.11 -5.01 118.94 117.85 1ub2 s TRP 669 Ca -0.26 -1.21 0.06 0.00 -2.12 0.00 0.00 56.10 52.57 1ub2 s TRP 669 Cb 0.07 -0.24 -0.07 0.00 -0.81 0.00 0.00 33.47 32.42 1ub2 s TRP 669 CO 0.68 -0.91 0.01 0.95 -0.51 0.00 0.00 176.95 177.16 1ub2 s THR 670 N -3.71 1.72 -0.01 2.01 -4.23 -1.26 -0.34 115.64 109.82 1ub2 s THR 670 Ca 0.32 -2.04 -0.29 0.00 -1.18 0.00 0.00 61.69 58.50 1ub2 s THR 670 Cb 0.02 -2.83 0.10 0.00 1.34 0.00 0.00 72.50 71.14 1ub2 s THR 670 CO 0.15 -0.06 0.91 0.00 -0.54 0.00 0.00 174.62 175.08 1ub2 s ALA 671 N -2.92 -1.83 0.54 3.99 0.00 -0.56 -4.03 121.76 116.93 1ub2 s ALA 671 Ca 0.35 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.39 1ub2 s ALA 671 Cb 0.08 0.39 0.04 0.00 0.00 0.00 0.00 23.12 23.63 1ub2 s ALA 671 CO 0.16 -0.69 0.44 0.95 0.00 0.00 0.00 175.76 176.62 1ub2 s THR 672 N -3.09 1.78 0.37 0.00 -4.23 -1.26 0.61 115.64 109.82 1ub2 s THR 672 Ca 0.05 -1.43 0.09 0.00 -1.18 0.00 0.00 61.69 59.22 1ub2 s THR 672 Cb -0.01 -2.22 0.13 0.00 1.34 0.00 0.00 72.50 71.74 1ub2 s THR 672 CO -0.09 0.00 1.87 0.03 -0.54 0.00 0.00 174.62 175.89 1ub2 h ARG 673 N 0.72 0.22 -0.73 3.99 3.08 -1.95 -1.26 114.38 118.44 1ub2 h ARG 673 Ca -0.36 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 1ub2 h ARG 673 Cb 1.30 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 1ub2 h ARG 673 CO 0.56 0.42 0.38 0.28 -1.07 0.00 0.00 179.97 180.54 1ub2 h VAL 674 N 0.21 1.22 0.04 2.04 2.07 -1.93 -0.13 116.25 119.77 1ub2 h VAL 674 Ca 0.04 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1ub2 h VAL 674 Cb 0.48 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1ub2 h VAL 674 CO 0.03 0.26 -0.02 0.44 0.02 0.00 0.00 177.57 178.30 1ub2 h ASP 675 N 1.03 -0.05 1.12 0.57 3.32 -1.74 -3.34 116.42 117.33 1ub2 h ASP 675 Ca 0.26 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1ub2 h ASP 675 Cb 0.06 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1ub2 h ASP 675 CO -0.04 0.59 0.00 -0.07 -1.72 0.00 0.00 179.24 178.01 1ub2 h LEU 676 N -0.72 0.00 -2.01 1.55 3.38 -1.17 -3.02 115.31 113.33 1ub2 h LEU 676 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ub2 h LEU 676 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ub2 h LEU 676 CO 0.01 0.00 -0.10 1.62 0.09 0.00 0.00 178.44 180.06 1ub2 h VAL 677 N 0.00 0.64 0.00 1.22 3.04 -1.13 -0.13 116.25 119.89 1ub2 h VAL 677 Ca 0.00 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 1ub2 h VAL 677 Cb 0.56 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 1ub2 h VAL 677 CO 0.00 0.10 0.00 0.49 -1.01 0.00 0.00 177.57 177.15 1ub2 n PHE 678 N -3.79 0.00 -0.29 3.17 3.01 -1.14 -0.97 117.46 117.45 1ub2 n PHE 678 Ca -0.02 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.45 1ub2 n PHE 678 Cb 0.20 -0.42 0.02 0.00 -0.01 0.00 0.00 39.48 39.28 1ub2 n PHE 678 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ub2 n GLY 679 N 0.34 2.80 1.18 1.37 0.00 -0.11 -2.91 105.19 107.86 1ub2 n GLY 679 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1ub2 n GLY 679 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ub2 n SER 680 N -0.61 0.13 -4.72 1.61 2.88 -0.82 -4.92 113.62 107.18 1ub2 n SER 680 Ca 0.03 0.03 -0.42 0.00 -1.33 0.00 0.00 58.87 57.18 1ub2 n SER 680 Cb 0.34 -0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.74 1ub2 n SER 680 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1ub2 s ASN 681 N -5.12 6.43 0.32 -3.46 3.84 -0.14 -4.87 114.94 111.93 1ub2 s ASN 681 Ca 0.00 2.80 -0.00 0.00 0.21 0.00 0.00 52.86 55.87 1ub2 s ASN 681 Cb 0.00 -2.59 0.53 0.00 -0.55 0.00 0.00 41.25 38.63 1ub2 s ASN 681 CO 0.00 -0.95 1.99 0.77 -2.79 0.00 0.00 177.10 176.12 1ub2 h SER 682 N 7.07 0.85 -0.05 -4.21 4.64 -1.95 0.22 113.55 120.12 1ub2 h SER 682 Ca -0.43 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 60.78 1ub2 h SER 682 Cb 1.20 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1ub2 h SER 682 CO 0.95 0.62 -0.29 0.40 -0.87 0.00 0.00 176.83 177.64 1ub2 h ILE 683 N 1.01 1.45 -0.43 0.95 2.04 -1.96 -2.66 117.51 117.91 1ub2 h ILE 683 Ca 0.27 -1.76 -0.08 0.00 1.00 0.00 0.00 64.86 64.30 1ub2 h ILE 683 Cb -0.11 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1ub2 h ILE 683 CO -0.06 0.50 -0.04 -0.07 0.00 0.00 0.00 178.15 178.47 1ub2 h LEU 684 N -0.26 0.70 -1.13 1.44 3.38 -1.83 -2.36 115.31 115.25 1ub2 h LEU 684 Ca -0.02 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1ub2 h LEU 684 Cb 0.96 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1ub2 h LEU 684 CO 0.06 0.80 -0.41 -0.09 0.09 0.00 0.00 178.44 178.89 1ub2 h ARG 685 N 0.67 0.05 -0.80 1.13 2.43 -0.44 0.74 114.38 118.16 1ub2 h ARG 685 Ca 0.13 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1ub2 h ARG 685 Cb 0.48 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1ub2 h ARG 685 CO 0.02 0.45 0.32 0.00 -1.51 0.00 0.00 179.97 179.25 1ub2 h ALA 686 N 1.55 1.04 -0.26 2.80 0.00 -1.06 0.30 119.26 123.63 1ub2 h ALA 686 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1ub2 h ALA 686 Cb 0.74 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ub2 h ALA 686 CO 0.05 0.67 -0.12 1.88 0.00 0.00 0.00 179.25 181.74 1ub2 h TYR 687 N 1.17 0.63 -0.63 0.00 0.99 -1.02 -2.28 116.97 115.82 1ub2 h TYR 687 Ca 0.27 -0.15 0.04 0.00 2.00 0.00 0.00 58.73 60.88 1ub2 h TYR 687 Cb 0.22 -0.15 -0.05 0.00 1.00 0.00 0.00 36.73 37.76 1ub2 h TYR 687 CO 0.02 0.80 0.37 0.77 -0.00 0.00 0.00 178.16 180.12 1ub2 h SER 688 N 0.28 0.57 -0.65 3.88 0.02 -0.42 -2.05 113.55 115.20 1ub2 h SER 688 Ca 0.06 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ub2 h SER 688 Cb 0.63 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1ub2 h SER 688 CO 0.04 0.39 0.42 -0.33 -1.14 0.00 0.00 176.83 176.21 1ub2 h GLU 689 N 0.71 0.86 -0.21 3.45 5.08 -0.31 -1.68 114.58 122.47 1ub2 h GLU 689 Ca 0.27 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1ub2 h GLU 689 Cb 0.10 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1ub2 h GLU 689 CO -0.14 0.57 -0.09 1.25 -1.00 0.00 0.00 179.01 179.60 1ub2 h LEU 690 N 0.88 -0.32 0.00 1.33 5.85 -0.80 -1.19 115.31 121.06 1ub2 h LEU 690 Ca 0.24 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1ub2 h LEU 690 Cb -0.09 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1ub2 h LEU 690 CO -0.05 -0.12 0.00 -1.22 -0.34 0.00 0.00 178.44 176.71 1ub2 n TYR 691 N -5.25 0.00 1.04 1.25 4.02 -0.83 -2.24 117.16 115.15 1ub2 n TYR 691 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.99 1ub2 n TYR 691 Cb 0.17 -0.42 0.12 0.00 -0.02 0.00 0.00 39.34 39.20 1ub2 n TYR 691 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ub2 n ALA 692 N -1.42 2.64 -1.76 -0.72 0.00 -0.49 -4.77 120.51 113.99 1ub2 n ALA 692 Ca 0.06 -0.66 -0.37 0.00 0.00 0.00 0.00 53.44 52.47 1ub2 n ALA 692 Cb 0.19 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 18.80 1ub2 n ALA 692 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ub2 s GLN 693 N -2.08 3.57 0.46 0.00 -0.21 -0.95 -4.77 119.66 115.69 1ub2 s GLN 693 Ca 0.27 1.89 0.15 0.00 0.02 0.00 0.00 55.36 57.69 1ub2 s GLN 693 Cb 0.20 -2.35 1.10 0.00 1.00 0.00 0.00 33.01 32.96 1ub2 s GLN 693 CO 0.35 -0.74 2.04 -0.44 -2.12 0.00 0.00 175.29 174.37 1ub2 h ASP 694 N 1.85 0.25 -0.32 5.90 3.32 -1.93 -2.64 116.42 122.85 1ub2 h ASP 694 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1ub2 h ASP 694 Cb 1.26 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1ub2 h ASP 694 CO 0.59 0.16 0.00 -0.90 -1.72 0.00 0.00 179.24 177.37 1ub2 n ASP 695 N -4.47 2.07 -0.47 6.45 5.75 -1.26 -4.36 116.55 120.25 1ub2 n ASP 695 Ca 0.05 -1.90 0.08 0.00 -0.01 0.00 0.00 54.79 53.01 1ub2 n ASP 695 Cb 0.27 -0.21 0.19 0.00 -1.03 0.00 0.00 41.12 40.34 1ub2 n ASP 695 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1ub2 n ASN 696 N 0.61 2.79 -0.05 -1.12 3.02 -0.99 -4.73 115.26 114.78 1ub2 n ASN 696 Ca 0.15 -3.20 -0.09 0.00 -0.03 0.00 0.00 54.58 51.40 1ub2 n ASN 696 Cb 0.35 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 1ub2 n ASN 696 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1ub2 h LYS 697 N 0.74 0.24 -0.24 3.52 1.57 -1.76 0.94 116.57 121.59 1ub2 h LYS 697 Ca 0.02 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1ub2 h LYS 697 Cb 1.20 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1ub2 h LYS 697 CO 0.10 0.16 -0.48 0.93 -0.57 0.00 0.00 179.45 179.60 1ub2 h GLU 698 N 0.25 0.64 -0.76 3.15 5.08 -1.95 -2.57 114.58 118.43 1ub2 h GLU 698 Ca 0.09 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1ub2 h GLU 698 Cb 0.01 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1ub2 h GLU 698 CO -0.05 0.98 0.37 -0.22 -1.00 0.00 0.00 179.01 179.09 1ub2 h LYS 699 N 0.51 1.07 -0.18 2.33 3.64 -1.80 0.88 116.57 123.03 1ub2 h LYS 699 Ca 0.03 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1ub2 h LYS 699 Cb 1.02 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1ub2 h LYS 699 CO 0.10 0.82 0.09 0.35 -2.27 0.00 0.00 179.45 178.53 1ub2 h PHE 700 N 1.07 0.25 -0.09 1.91 3.57 -0.62 0.11 116.94 123.13 1ub2 h PHE 700 Ca 0.26 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 1ub2 h PHE 700 Cb 0.09 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1ub2 h PHE 700 CO 0.01 0.27 0.05 0.28 -2.23 0.00 0.00 178.31 176.69 1ub2 h VAL 701 N 0.16 1.09 -0.75 1.41 2.07 -1.03 0.15 116.25 119.34 1ub2 h VAL 701 Ca 0.06 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1ub2 h VAL 701 Cb 0.11 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1ub2 h VAL 701 CO -0.01 0.08 0.47 -0.09 0.02 0.00 0.00 177.57 178.04 1ub2 h ARG 702 N 0.05 0.90 -0.12 1.57 2.43 -0.76 -1.12 114.38 117.33 1ub2 h ARG 702 Ca 0.03 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 1ub2 h ARG 702 Cb 0.08 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1ub2 h ARG 702 CO -0.00 0.60 -0.64 -0.44 -1.51 0.00 0.00 179.97 177.97 1ub2 h ASP 703 N 0.93 0.49 -0.25 -3.80 3.45 -0.59 -2.14 116.42 114.51 1ub2 h ASP 703 Ca 0.30 -0.29 -0.02 0.00 0.43 0.00 0.00 57.03 57.45 1ub2 h ASP 703 Cb 0.02 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 1ub2 h ASP 703 CO -0.11 1.00 0.07 0.15 -1.57 0.00 0.00 179.24 178.78 1ub2 h PHE 704 N 0.31 0.42 -0.25 4.55 3.57 -0.36 -2.23 116.94 122.96 1ub2 h PHE 704 Ca -0.01 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.47 1ub2 h PHE 704 Cb 1.18 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 1ub2 h PHE 704 CO 0.04 0.47 0.09 0.28 -2.23 0.00 0.00 178.31 176.97 1ub2 h VAL 705 N 0.24 0.95 -0.89 1.41 2.07 -1.17 0.11 116.25 118.97 1ub2 h VAL 705 Ca 0.08 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1ub2 h VAL 705 Cb 0.26 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1ub2 h VAL 705 CO -0.00 0.04 0.55 0.00 0.02 0.00 0.00 177.57 178.18 1ub2 h ALA 706 N 1.15 1.30 -0.34 1.67 0.00 -1.32 0.11 119.26 121.83 1ub2 h ALA 706 Ca 0.11 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1ub2 h ALA 706 Cb 0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1ub2 h ALA 706 CO -0.10 0.62 -0.42 0.00 0.00 0.00 0.00 179.25 179.34 1ub2 h ALA 707 N 1.39 0.51 -0.38 0.00 0.00 -1.05 -1.19 119.26 118.55 1ub2 h ALA 707 Ca 0.32 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ub2 h ALA 707 Cb -0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1ub2 h ALA 707 CO -0.06 0.64 0.21 2.35 0.00 0.00 0.00 179.25 182.38 1ub2 h TRP 708 N 0.69 0.39 -0.50 0.00 2.91 -0.07 -1.84 115.95 117.53 1ub2 h TRP 708 Ca 0.04 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.08 1ub2 h TRP 708 Cb 1.02 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.52 1ub2 h TRP 708 CO 0.07 0.22 0.30 1.15 -1.03 0.00 0.00 178.44 179.14 1ub2 h THR 709 N 0.42 1.16 -0.92 2.65 2.02 -0.67 -1.34 112.91 116.22 1ub2 h THR 709 Ca 0.15 -0.36 0.07 0.00 0.77 0.00 0.00 66.41 67.04 1ub2 h THR 709 Cb 0.03 0.50 -0.07 0.00 -1.74 0.00 0.00 68.15 66.87 1ub2 h THR 709 CO -0.09 0.16 0.58 0.50 0.37 0.00 0.00 175.52 177.04 1ub2 h LYS 710 N 0.66 1.01 -0.22 6.66 3.64 -0.82 -0.85 116.57 126.65 1ub2 h LYS 710 Ca 0.18 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 1ub2 h LYS 710 Cb 0.00 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1ub2 h LYS 710 CO -0.03 0.67 -0.33 0.28 -2.27 0.00 0.00 179.45 177.76 1ub2 h VAL 711 N 1.04 1.32 0.00 2.00 2.07 -0.89 -2.20 116.25 119.59 1ub2 h VAL 711 Ca 0.41 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 1ub2 h VAL 711 Cb 0.21 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1ub2 h VAL 711 CO -0.19 0.48 -0.18 0.24 0.02 0.00 0.00 177.57 177.94 1ub2 h MET 712 N 0.30 0.00 -0.55 1.57 2.86 -0.77 -3.09 114.93 115.25 1ub2 h MET 712 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ub2 h MET 712 Cb 0.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1ub2 h MET 712 CO 0.08 0.18 0.00 0.09 1.06 0.00 0.00 176.91 178.32 1ub2 n ASN 713 N -4.01 3.50 -0.35 1.22 3.02 -0.37 -4.70 115.26 113.57 1ub2 n ASN 713 Ca -0.02 -1.99 -0.00 0.00 -0.03 0.00 0.00 54.58 52.54 1ub2 n ASN 713 Cb 0.26 -0.37 0.15 0.00 -0.61 0.00 0.00 39.78 39.22 1ub2 n ASN 713 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ub2 h ALA 714 N 3.42 1.35 -0.40 5.41 0.00 -1.31 -2.69 119.26 125.04 1ub2 h ALA 714 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ub2 h ALA 714 Cb 0.88 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ub2 h ALA 714 CO 0.00 0.57 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 1ub2 n ASP 715 N -4.42 2.36 -3.23 0.00 3.85 -1.26 -4.70 116.55 109.15 1ub2 n ASP 715 Ca 0.13 -1.94 -0.32 0.00 -0.71 0.00 0.00 54.79 51.94 1ub2 n ASP 715 Cb 0.07 -0.26 -0.03 0.00 -1.35 0.00 0.00 41.12 39.55 1ub2 n ASP 715 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1ub2 n ARG 716 N 0.79 3.08 0.08 0.11 5.12 -1.02 -4.50 116.66 120.33 1ub2 n ARG 716 Ca 0.16 -1.90 0.12 0.00 -1.93 0.00 0.00 57.85 54.30 1ub2 n ARG 716 Cb 0.39 -2.65 0.46 0.00 -1.16 0.00 0.00 32.46 29.50 1ub2 n ARG 716 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1ub2 n PHE 717 N 3.78 0.62 0.40 -1.55 3.01 -1.26 -2.61 117.46 119.85 1ub2 n PHE 717 Ca 0.66 0.20 0.12 0.00 1.01 0.00 0.00 57.45 59.44 1ub2 n PHE 717 Cb 0.21 -0.83 0.49 0.00 -0.01 0.00 0.00 39.48 39.34 1ub2 n PHE 717 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ub2 n ASP 718 N -2.03 0.66 -4.90 4.37 3.85 -1.26 -4.68 116.55 112.57 1ub2 n ASP 718 Ca 0.05 0.66 -0.30 0.00 -0.71 0.00 0.00 54.79 54.49 1ub2 n ASP 718 Cb 0.33 -0.80 -0.04 0.00 -1.35 0.00 0.00 41.12 39.26 1ub2 n ASP 718 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1ub2 s LEU 719 N -4.46 4.17 0.00 -2.12 1.02 -1.07 -5.13 118.68 111.09 1ub2 s LEU 719 Ca 0.04 0.68 0.26 0.00 0.02 0.00 0.00 54.13 55.13 1ub2 s LEU 719 Cb 0.09 -3.44 0.69 0.00 0.02 0.00 0.00 46.19 43.55 1ub2 s LEU 719 CO 0.40 -0.07 1.54 0.47 0.02 0.00 0.00 176.35 178.71