#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwa s MET 2 N 0.00 3.07 -0.23 0.03 1.00 -1.26 -5.03 119.30 116.88 1uwa s MET 2 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 55.69 55.04 1uwa s MET 2 Cb 0.00 -2.84 -0.02 0.00 0.00 0.00 0.00 34.83 31.97 1uwa s MET 2 CO 0.00 0.59 0.02 0.08 0.00 0.00 0.00 175.02 175.71 1uwa s VAL 3 N -1.40 3.98 -0.05 -6.03 1.01 -1.26 -4.87 120.40 111.78 1uwa s VAL 3 Ca 0.30 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1uwa s VAL 3 Cb -0.12 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1uwa s VAL 3 CO 0.23 0.39 1.55 0.86 0.00 0.00 0.00 175.10 178.12 1uwa s TRP 4 N 1.36 2.32 0.13 5.22 -0.11 -1.26 -1.01 118.94 125.59 1uwa s TRP 4 Ca 0.05 0.45 -0.30 0.00 1.22 0.00 0.00 56.10 57.51 1uwa s TRP 4 Cb -0.15 -3.81 -0.06 0.00 -1.50 0.00 0.00 33.47 27.95 1uwa s TRP 4 CO 0.01 -3.27 1.01 -0.08 -4.62 0.00 0.00 176.95 170.01 1uwa s THR 5 N 3.48 4.31 -1.61 5.86 -1.32 -0.10 -4.93 115.64 121.33 1uwa s THR 5 Ca 0.69 1.93 0.27 0.00 -1.21 0.00 0.00 61.69 63.36 1uwa s THR 5 Cb -0.32 -4.23 0.26 0.00 -1.51 0.00 0.00 72.50 66.70 1uwa s THR 5 CO 0.27 0.30 1.60 -0.81 -2.21 0.00 0.00 174.62 173.77 1uwa n PRO 6 N 2.73 0.67 -3.61 7.08 -0.04 -1.26 -4.74 135.00 135.84 1uwa n PRO 6 Ca 0.03 -0.37 -0.37 0.00 -0.04 0.00 0.00 63.50 62.75 1uwa n PRO 6 Cb 0.48 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 1uwa n PRO 6 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uwa s VAL 7 N -2.58 5.33 -1.38 0.52 1.01 -1.26 -4.50 120.40 117.54 1uwa s VAL 7 Ca 0.23 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 1uwa s VAL 7 Cb 0.19 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1uwa s VAL 7 CO 0.54 0.34 0.42 0.59 0.00 0.00 0.00 175.10 176.99 1uwa n ASN 8 N 4.21 -0.90 -2.50 3.32 5.03 -1.26 -4.88 115.26 118.28 1uwa n ASN 8 Ca -0.14 -1.05 -0.10 0.00 0.87 0.00 0.00 54.58 54.17 1uwa n ASN 8 Cb 0.52 -2.87 0.04 0.00 -1.02 0.00 0.00 39.78 36.45 1uwa n ASN 8 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1uwa n ASN 9 N -2.90 2.91 -4.77 6.41 4.05 -1.09 -2.26 115.26 117.61 1uwa n ASN 9 Ca -0.28 -2.72 -0.37 0.00 0.45 0.00 0.00 54.58 51.66 1uwa n ASN 9 Cb 0.67 -0.42 0.00 0.00 1.23 0.00 0.00 39.78 41.26 1uwa n ASN 9 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1uwa s LYS 10 N -3.70 3.55 0.48 1.20 1.02 -0.29 -4.84 119.74 117.15 1uwa s LYS 10 Ca 0.37 1.80 0.05 0.00 0.02 0.00 0.00 55.97 58.21 1uwa s LYS 10 Cb 0.36 -2.28 -0.02 0.00 -0.52 0.00 0.00 37.83 35.37 1uwa s LYS 10 CO -0.01 -0.73 0.16 -1.64 -0.92 0.00 0.00 175.35 172.20 1uwa s MET 11 N -2.88 2.19 -0.31 1.68 -1.94 -1.26 -4.65 119.30 112.14 1uwa s MET 11 Ca 0.67 -2.12 0.19 0.00 -1.71 0.00 0.00 55.69 52.72 1uwa s MET 11 Cb -0.29 -1.81 0.47 0.00 2.01 0.00 0.00 34.83 35.20 1uwa s MET 11 CO 0.35 -0.32 1.00 1.19 -0.01 0.00 0.00 175.02 177.22 1uwa n PHE 12 N -1.35 1.30 -4.63 -0.03 3.01 -1.26 -5.12 117.46 109.37 1uwa n PHE 12 Ca -0.08 -2.64 0.00 0.00 1.01 0.00 0.00 57.45 55.74 1uwa n PHE 12 Cb 0.66 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1uwa n PHE 12 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1uwa n GLU 13 N -0.22 0.00 -1.69 -1.08 -0.58 -1.26 -4.60 120.64 111.21 1uwa n GLU 13 Ca 0.10 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.40 1uwa n GLU 13 Cb 0.81 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.65 1uwa n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1uwa n THR 14 N 0.00 0.20 -0.71 2.62 -1.04 -1.26 -1.78 114.28 112.32 1uwa n THR 14 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1uwa n THR 14 Cb 0.00 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 66.60 1uwa n THR 14 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1uwa n PHE 15 N 4.76 0.00 0.70 -1.42 0.99 -1.26 -4.62 117.46 116.61 1uwa n PHE 15 Ca 0.18 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.72 1uwa n PHE 15 Cb 0.34 0.00 0.41 0.00 -1.00 0.00 0.00 39.48 39.22 1uwa n PHE 15 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1uwa n SER 16 N 0.00 0.00 -0.74 4.37 3.41 -0.73 -2.18 113.62 117.75 1uwa n SER 16 Ca 0.00 0.35 0.13 0.00 -0.26 0.00 0.00 58.87 59.09 1uwa n SER 16 Cb 0.00 -0.43 0.30 0.00 -0.26 0.00 0.00 64.21 63.82 1uwa n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1uwa n TYR 17 N -1.43 0.01 -3.27 7.33 4.02 -1.26 -4.87 117.16 117.68 1uwa n TYR 17 Ca 0.06 -0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.76 1uwa n TYR 17 Cb 0.19 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.51 1uwa n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1uwa s LEU 18 N -1.99 3.70 0.56 7.72 1.43 -0.93 -5.09 118.68 124.09 1uwa s LEU 18 Ca 0.33 -0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 52.81 1uwa s LEU 18 Cb 0.20 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 1uwa s LEU 18 CO 0.32 -0.63 1.16 -2.65 0.23 0.00 0.00 176.35 174.78 1uwa n PRO 19 N -1.71 1.28 -1.63 1.29 -0.02 -1.26 -4.88 135.00 128.07 1uwa n PRO 19 Ca 0.04 0.48 -0.45 0.00 -2.02 0.00 0.00 63.50 61.56 1uwa n PRO 19 Cb 0.59 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 1uwa n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1uwa n PRO 20 N -0.97 1.61 -1.95 0.52 -0.02 -1.26 -4.85 135.00 128.07 1uwa n PRO 20 Ca 0.12 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1uwa n PRO 20 Cb 0.45 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1uwa n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1uwa s LEU 21 N 0.10 4.37 0.82 2.45 1.43 -1.26 -5.01 118.68 121.57 1uwa s LEU 21 Ca 0.62 2.56 -0.11 0.00 -1.03 0.00 0.00 54.13 56.17 1uwa s LEU 21 Cb -0.69 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.03 1uwa s LEU 21 CO 0.57 -0.82 1.10 0.42 0.23 0.00 0.00 176.35 177.85 1uwa s THR 22 N 1.45 2.99 0.38 5.49 -4.23 -1.26 -4.82 115.64 115.63 1uwa s THR 22 Ca 0.70 0.32 0.06 0.00 -1.18 0.00 0.00 61.69 61.60 1uwa s THR 22 Cb -0.42 -3.01 0.29 0.00 1.34 0.00 0.00 72.50 70.70 1uwa s THR 22 CO 0.31 -0.42 1.98 0.44 -0.54 0.00 0.00 174.62 176.40 1uwa h ASP 23 N -1.18 0.61 -0.22 3.99 3.32 -1.99 0.19 116.42 121.14 1uwa h ASP 23 Ca -0.47 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.47 1uwa h ASP 23 Cb 1.27 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1uwa h ASP 23 CO 0.58 0.41 -0.22 -0.08 -1.72 0.00 0.00 179.24 178.21 1uwa h GLU 24 N 0.70 0.68 -0.32 3.56 4.81 -1.99 -1.37 114.58 120.66 1uwa h GLU 24 Ca 0.27 -0.26 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1uwa h GLU 24 Cb 0.18 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1uwa h GLU 24 CO -0.08 0.84 -0.44 1.96 -0.73 0.00 0.00 179.01 180.56 1uwa h GLN 25 N 0.60 0.86 -0.05 1.92 4.20 -1.53 -1.33 115.11 119.78 1uwa h GLN 25 Ca 0.09 -0.50 -0.00 0.00 0.06 0.00 0.00 58.65 58.30 1uwa h GLN 25 Cb 0.70 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 1uwa h GLN 25 CO 0.05 1.14 0.03 0.82 -0.67 0.00 0.00 178.83 180.20 1uwa h ILE 26 N 0.65 1.04 -1.00 2.54 2.04 -0.98 -2.05 117.51 119.74 1uwa h ILE 26 Ca 0.04 -0.12 0.11 0.00 1.00 0.00 0.00 64.86 65.89 1uwa h ILE 26 Cb 1.04 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 38.07 1uwa h ILE 26 CO 0.10 0.04 0.63 0.00 0.00 0.00 0.00 178.15 178.92 1uwa h ALA 27 N 0.98 1.49 -0.51 1.87 0.00 -1.18 0.30 119.26 122.21 1uwa h ALA 27 Ca 0.02 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1uwa h ALA 27 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1uwa h ALA 27 CO -0.00 0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.48 1uwa h ALA 28 N 1.52 0.99 -0.50 0.00 0.00 -0.99 -0.62 119.26 119.66 1uwa h ALA 28 Ca 0.49 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1uwa h ALA 28 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1uwa h ALA 28 CO -0.25 0.61 -0.10 1.96 0.00 0.00 0.00 179.25 181.48 1uwa h GLN 29 N 0.81 0.91 -0.60 0.00 1.08 -0.42 -2.17 115.11 114.71 1uwa h GLN 29 Ca 0.15 -0.31 -0.06 0.00 -1.45 0.00 0.00 58.65 56.97 1uwa h GLN 29 Cb 0.53 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1uwa h GLN 29 CO 0.03 0.96 0.14 0.28 -0.95 0.00 0.00 178.83 179.29 1uwa h VAL 30 N 0.82 1.25 -0.73 -0.54 2.07 -0.73 -1.91 116.25 116.48 1uwa h VAL 30 Ca 0.13 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.76 1uwa h VAL 30 Cb 0.62 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1uwa h VAL 30 CO 0.04 0.35 0.48 0.44 0.02 0.00 0.00 177.57 178.90 1uwa h ASP 31 N 0.89 0.76 -0.57 0.57 3.32 -0.91 -1.72 116.42 118.75 1uwa h ASP 31 Ca 0.19 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1uwa h ASP 31 Cb 0.37 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1uwa h ASP 31 CO 0.00 0.52 -0.05 0.22 -1.72 0.00 0.00 179.24 178.21 1uwa h TYR 32 N 0.88 1.15 -0.04 4.55 3.20 -0.87 0.11 116.97 125.95 1uwa h TYR 32 Ca 0.29 -0.22 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1uwa h TYR 32 Cb 0.07 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 1uwa h TYR 32 CO -0.00 1.04 -0.09 0.82 -1.64 0.00 0.00 178.16 178.28 1uwa h ILE 33 N 0.92 0.75 -0.35 1.81 2.04 -0.69 -2.80 117.51 119.20 1uwa h ILE 33 Ca 0.15 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 1uwa h ILE 33 Cb 0.62 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1uwa h ILE 33 CO 0.04 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.75 1uwa h VAL 34 N -0.14 1.26 -0.27 1.67 2.07 -1.08 -2.22 116.25 117.54 1uwa h VAL 34 Ca 0.05 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.62 1uwa h VAL 34 Cb 0.21 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1uwa h VAL 34 CO -0.12 0.34 0.20 0.00 0.02 0.00 0.00 177.57 178.00 1uwa h ALA 35 N 0.85 2.21 -0.02 1.67 0.00 -0.79 -1.07 119.26 122.12 1uwa h ALA 35 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1uwa h ALA 35 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1uwa h ALA 35 CO 0.02 -0.28 -0.13 0.09 0.00 0.00 0.00 179.25 178.95 1uwa n ASN 36 N -4.46 2.06 -1.23 0.00 3.02 -1.06 -4.96 115.26 108.62 1uwa n ASN 36 Ca 0.03 -1.58 -0.12 0.00 -0.03 0.00 0.00 54.58 52.88 1uwa n ASN 36 Cb 0.33 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 1uwa n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uwa n GLY 37 N 1.31 0.48 3.89 7.41 0.00 -0.41 -5.03 105.19 112.84 1uwa n GLY 37 Ca 0.14 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1uwa n GLY 37 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uwa s TRP 38 N -2.56 3.41 -0.43 1.61 0.51 -0.87 -4.97 118.94 115.64 1uwa s TRP 38 Ca 0.00 1.02 -0.17 0.00 -2.12 0.00 0.00 56.10 54.83 1uwa s TRP 38 Cb 0.00 -2.86 0.03 0.00 -0.81 0.00 0.00 33.47 29.83 1uwa s TRP 38 CO 0.00 -0.92 0.43 0.42 -0.51 0.00 0.00 176.95 176.37 1uwa s ILE 39 N -3.20 5.10 0.42 2.03 1.01 0.43 -4.72 121.20 122.27 1uwa s ILE 39 Ca 0.56 -0.49 -0.25 0.00 0.00 0.00 0.00 60.65 60.47 1uwa s ILE 39 Cb -0.11 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.22 1uwa s ILE 39 CO 0.51 -0.47 1.18 -2.16 0.00 0.00 0.00 174.94 174.00 1uwa s PRO 40 N 2.07 3.96 -0.07 2.79 0.05 -1.26 -0.42 135.00 142.11 1uwa s PRO 40 Ca 0.11 1.85 -0.17 0.00 0.05 0.00 0.00 61.00 62.83 1uwa s PRO 40 Cb -0.18 -2.60 0.04 0.00 0.05 0.00 0.00 34.50 31.80 1uwa s PRO 40 CO 0.12 -0.40 0.40 0.00 0.05 0.00 0.00 177.00 177.17 1uwa s LEU 42 N -0.74 3.45 0.07 0.00 1.43 -1.26 -0.81 118.68 120.82 1uwa s LEU 42 Ca -0.08 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1uwa s LEU 42 Cb -0.04 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1uwa s LEU 42 CO 0.04 0.32 -0.13 -1.61 0.23 0.00 0.00 176.35 175.21 1uwa s GLU 43 N -1.22 0.78 0.05 1.70 2.02 -0.68 -0.65 118.70 120.70 1uwa s GLU 43 Ca 0.16 -0.96 -0.06 0.00 0.02 0.00 0.00 54.97 54.13 1uwa s GLU 43 Cb -0.11 -0.70 -0.01 0.00 0.10 0.00 0.00 34.13 33.41 1uwa s GLU 43 CO 0.06 0.15 0.12 -0.59 0.02 0.00 0.00 175.26 175.02 1uwa s PHE 44 N -1.48 0.21 -0.15 1.61 -0.12 -0.08 -0.87 117.98 117.09 1uwa s PHE 44 Ca -0.02 -0.57 -0.15 0.00 -0.05 0.00 0.00 56.93 56.14 1uwa s PHE 44 Cb -0.09 -0.14 0.04 0.00 -0.63 0.00 0.00 43.02 42.20 1uwa s PHE 44 CO 0.02 -0.43 0.42 0.00 -0.05 0.00 0.00 175.22 175.18 1uwa s ALA 45 N -3.15 -1.04 0.82 1.99 0.00 -0.27 -1.02 121.76 119.09 1uwa s ALA 45 Ca -0.00 1.17 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 1uwa s ALA 45 Cb 0.02 -0.66 0.09 0.00 0.00 0.00 0.00 23.12 22.57 1uwa s ALA 45 CO -0.07 -0.20 1.17 -1.83 0.00 0.00 0.00 175.76 174.82 1uwa s GLU 46 N 0.16 1.64 0.29 0.00 -1.05 -1.26 -0.66 118.70 117.82 1uwa s GLU 46 Ca -0.01 1.59 0.03 0.00 -0.15 0.00 0.00 54.97 56.44 1uwa s GLU 46 Cb -0.03 -1.79 0.68 0.00 -0.44 0.00 0.00 34.13 32.55 1uwa s GLU 46 CO 0.01 -2.18 1.75 0.00 0.95 0.00 0.00 175.26 175.79 1uwa h ALA 47 N -1.12 1.49 0.00 -0.84 0.00 -1.96 -0.37 119.26 116.46 1uwa h ALA 47 Ca -0.45 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1uwa h ALA 47 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1uwa h ALA 47 CO 0.46 -0.15 0.00 -0.44 0.00 0.00 0.00 179.25 179.12 1uwa h ASP 48 N 0.62 0.00 -0.33 0.00 3.32 -1.99 -2.91 116.42 115.12 1uwa h ASP 48 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1uwa h ASP 48 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1uwa h ASP 48 CO -0.42 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.39 1uwa n LYS 49 N -2.90 3.08 0.05 3.56 4.76 -0.16 -4.72 118.16 121.82 1uwa n LYS 49 Ca -0.00 -2.62 -0.23 0.00 -2.87 0.00 0.00 58.31 52.60 1uwa n LYS 49 Cb 0.23 -1.69 -0.15 0.00 -1.84 0.00 0.00 35.03 31.58 1uwa n LYS 49 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uwa h ALA 50 N 2.17 0.21 -3.19 7.82 0.00 -1.42 -3.45 119.26 121.40 1uwa h ALA 50 Ca 0.00 -1.19 -0.65 0.00 0.00 0.00 0.00 54.91 53.07 1uwa h ALA 50 Cb 1.25 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 19.45 1uwa h ALA 50 CO 0.17 1.06 -0.60 0.71 0.00 0.00 0.00 179.25 180.59 1uwa s TYR 51 N -2.56 3.20 0.15 0.00 1.51 -1.26 -4.96 117.35 113.43 1uwa s TYR 51 Ca -0.18 0.14 -0.34 0.00 -1.01 0.00 0.00 57.07 55.68 1uwa s TYR 51 Cb 0.06 -1.69 -0.16 0.00 -0.11 0.00 0.00 41.96 40.05 1uwa s TYR 51 CO 0.83 0.52 1.18 0.28 -1.11 0.00 0.00 175.55 177.25 1uwa n VAL 52 N 1.07 0.68 -4.16 0.71 0.31 -1.26 -4.73 118.33 110.94 1uwa n VAL 52 Ca -0.12 -0.17 -0.16 0.00 -0.01 0.00 0.00 64.34 63.87 1uwa n VAL 52 Cb 0.52 -0.78 -0.05 0.00 -0.91 0.00 0.00 33.84 32.62 1uwa n VAL 52 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1uwa n SER 53 N 2.10 -0.94 -0.00 4.52 3.41 -0.93 -4.98 113.62 116.80 1uwa n SER 53 Ca 0.16 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 1uwa n SER 53 Cb 0.23 1.94 0.00 0.00 -0.26 0.00 0.00 64.21 66.11 1uwa n SER 53 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1uwa n ASN 54 N -1.72 1.23 -0.01 4.04 3.02 -1.26 -0.99 115.26 119.57 1uwa n ASN 54 Ca 0.04 -1.22 0.21 0.00 -0.03 0.00 0.00 54.58 53.58 1uwa n ASN 54 Cb 0.56 -0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.43 1uwa n ASN 54 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1uwa h GLU 55 N 0.01 0.00 0.00 3.52 9.09 -1.99 -0.69 114.58 124.53 1uwa h GLU 55 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1uwa h GLU 55 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1uwa h GLU 55 CO 0.00 0.00 0.00 0.77 0.05 0.00 0.00 179.01 179.83 1uwa h SER 56 N 0.00 0.00 0.49 3.06 0.02 -2.00 -3.20 113.55 111.91 1uwa h SER 56 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1uwa h SER 56 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1uwa h SER 56 CO -0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1uwa h ALA 57 N 2.02 1.00 -0.30 3.77 0.00 -1.51 -2.08 119.26 122.15 1uwa h ALA 57 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1uwa h ALA 57 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1uwa h ALA 57 CO 0.00 0.00 0.24 0.97 0.00 0.00 0.00 179.25 180.46 1uwa h ILE 58 N 0.00 0.71 -0.01 0.00 2.10 -1.74 -2.02 117.51 116.56 1uwa h ILE 58 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1uwa h ILE 58 Cb 0.24 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 1uwa h ILE 58 CO 0.00 0.00 -0.08 0.54 -1.08 0.00 0.00 178.15 177.53 1uwa n ARG 59 N -4.24 1.09 -3.60 2.19 1.74 -0.78 -4.96 116.66 108.10 1uwa n ARG 59 Ca 0.04 -0.48 -0.28 0.00 -0.77 0.00 0.00 57.85 56.37 1uwa n ARG 59 Cb 0.41 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 1uwa n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uwa s PHE 60 N -2.24 3.48 0.00 -1.55 2.99 -0.76 -5.11 117.98 114.79 1uwa s PHE 60 Ca 0.34 0.43 0.00 0.00 0.00 0.00 0.00 56.93 57.70 1uwa s PHE 60 Cb 0.21 -1.92 0.00 0.00 0.00 0.00 0.00 43.02 41.30 1uwa s PHE 60 CO 0.42 0.33 0.00 0.41 -0.00 0.00 0.00 175.22 176.37 1uwa n GLY 61 N -0.71 0.34 2.33 4.36 0.00 -1.26 -4.90 105.19 105.35 1uwa n GLY 61 Ca -0.04 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 1uwa n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uwa n SER 62 N 0.00 7.29 -0.62 1.61 7.64 -1.26 -4.44 113.62 123.83 1uwa n SER 62 Ca 0.00 -2.86 0.05 0.00 1.01 0.00 0.00 58.87 57.07 1uwa n SER 62 Cb 0.00 -1.40 0.09 0.00 -1.01 0.00 0.00 64.21 61.89 1uwa n SER 62 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1uwa n VAL 63 N 2.20 0.98 0.84 0.44 0.24 -1.26 -4.82 118.33 116.95 1uwa n VAL 63 Ca 0.60 -1.52 0.12 0.00 -2.04 0.00 0.00 64.34 61.50 1uwa n VAL 63 Cb 0.46 0.25 0.53 0.00 -1.47 0.00 0.00 33.84 33.61 1uwa n VAL 63 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1uwa n SER 64 N -0.52 0.10 -4.59 -1.34 3.41 -1.26 -4.75 113.62 104.66 1uwa n SER 64 Ca 0.10 0.51 -0.54 0.00 -0.26 0.00 0.00 58.87 58.68 1uwa n SER 64 Cb 0.78 -0.54 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 1uwa n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uwa n LEU 66 N 7.19 -1.73 -4.61 0.00 4.77 -1.26 -5.00 117.00 116.36 1uwa n LEU 66 Ca 0.33 0.17 -0.36 0.00 -0.03 0.00 0.00 56.01 56.12 1uwa n LEU 66 Cb 0.17 -2.84 -0.10 0.00 -2.33 0.00 0.00 43.42 38.32 1uwa n LEU 66 CO 0.79 -0.50 -0.22 -0.47 -1.33 0.00 0.00 177.39 175.66 1uwa s TYR 67 N -2.90 3.24 -0.01 -1.77 5.04 -0.07 -5.10 117.35 115.79 1uwa s TYR 67 Ca 0.00 0.05 -0.01 0.00 -2.44 0.00 0.00 57.07 54.67 1uwa s TYR 67 Cb 0.00 -2.22 0.00 0.00 0.35 0.00 0.00 41.96 40.09 1uwa s TYR 67 CO 0.00 -0.01 0.04 0.71 -1.34 0.00 0.00 175.55 174.95 1uwa s TYR 68 N 1.03 -0.04 0.67 4.97 2.02 -1.26 -4.96 117.35 119.78 1uwa s TYR 68 Ca 0.06 0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.74 1uwa s TYR 68 Cb -0.14 0.01 -0.01 0.00 -0.40 0.00 0.00 41.96 41.43 1uwa s TYR 68 CO 0.04 -0.03 1.05 -0.51 -1.57 0.00 0.00 175.55 174.53 1uwa s ASP 69 N -0.02 5.58 -0.29 2.29 1.01 -0.16 -4.24 116.67 120.85 1uwa s ASP 69 Ca -0.00 1.59 0.00 0.00 0.71 0.00 0.00 52.55 54.85 1uwa s ASP 69 Cb -0.01 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.43 1uwa s ASP 69 CO 0.00 -1.31 0.00 0.59 0.21 0.00 0.00 175.17 174.67 1uwa n ASN 70 N -2.96 -3.92 -0.03 0.27 3.02 -1.26 -2.19 115.26 108.18 1uwa n ASN 70 Ca 0.07 0.07 -0.14 0.00 -0.03 0.00 0.00 54.58 54.55 1uwa n ASN 70 Cb 0.54 -1.66 -0.09 0.00 -0.61 0.00 0.00 39.78 37.96 1uwa n ASN 70 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1uwa h ARG 71 N 0.41 0.20 -6.63 3.52 3.08 -1.90 -3.41 114.38 109.64 1uwa h ARG 71 Ca -0.06 -0.13 -0.53 0.00 0.07 0.00 0.00 59.98 59.34 1uwa h ARG 71 Cb 0.37 0.02 0.04 0.00 0.08 0.00 0.00 29.97 30.48 1uwa h ARG 71 CO 0.08 0.73 0.74 0.71 -1.07 0.00 0.00 179.97 181.16 1uwa s TYR 72 N -3.92 3.17 0.26 3.04 2.02 -1.26 -5.04 117.35 115.61 1uwa s TYR 72 Ca -0.15 0.98 0.02 0.00 -0.37 0.00 0.00 57.07 57.56 1uwa s TYR 72 Cb 0.03 -3.73 0.02 0.00 -0.40 0.00 0.00 41.96 37.88 1uwa s TYR 72 CO 0.73 -2.48 0.21 0.91 -1.57 0.00 0.00 175.55 173.34 1uwa n TRP 73 N 3.26 -1.20 -3.57 2.71 7.02 -1.26 -5.06 117.44 119.34 1uwa n TRP 73 Ca 0.09 -1.09 -0.36 0.00 -1.02 0.00 0.00 57.50 55.12 1uwa n TRP 73 Cb 0.41 -0.21 -0.07 0.00 -2.42 0.00 0.00 31.31 29.02 1uwa n TRP 73 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1uwa s THR 74 N -1.23 5.30 0.14 -0.99 2.01 -0.19 -4.88 115.64 115.80 1uwa s THR 74 Ca 0.16 0.53 -0.31 0.00 0.31 0.00 0.00 61.69 62.38 1uwa s THR 74 Cb -0.01 -3.61 -0.08 0.00 0.01 0.00 0.00 72.50 68.81 1uwa s THR 74 CO 0.10 0.42 1.29 -0.32 -0.69 0.00 0.00 174.62 175.43 1uwa s MET 75 N 0.23 4.39 -0.43 4.92 1.75 -1.26 -0.91 119.30 128.00 1uwa s MET 75 Ca 0.17 1.97 -0.24 0.00 -1.25 0.00 0.00 55.69 56.33 1uwa s MET 75 Cb -0.13 -3.25 0.02 0.00 2.84 0.00 0.00 34.83 34.31 1uwa s MET 75 CO 0.04 -0.29 0.84 -0.46 -0.65 0.00 0.00 175.02 174.50 1uwa s TRP 76 N 0.62 3.00 0.00 4.11 -0.11 0.18 -4.89 118.94 121.85 1uwa s TRP 76 Ca 0.59 0.36 0.00 0.00 1.22 0.00 0.00 56.10 58.27 1uwa s TRP 76 Cb -0.34 -3.70 0.00 0.00 -1.50 0.00 0.00 33.47 27.93 1uwa s TRP 76 CO 0.33 -0.95 0.00 1.63 -4.62 0.00 0.00 176.95 173.34 1uwa n LYS 77 N 6.79 0.00 -4.31 5.86 5.02 -1.26 -4.54 118.16 125.72 1uwa n LYS 77 Ca 0.04 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.16 1uwa n LYS 77 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 1uwa n LYS 77 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uwa s LEU 78 N 0.00 2.55 0.42 -0.35 1.43 -1.26 -5.10 118.68 116.36 1uwa s LEU 78 Ca 0.00 -1.02 -0.26 0.00 -1.03 0.00 0.00 54.13 51.83 1uwa s LEU 78 Cb 0.00 -0.57 -0.10 0.00 0.03 0.00 0.00 46.19 45.55 1uwa s LEU 78 CO 0.00 -0.22 1.28 -2.65 0.23 0.00 0.00 176.35 174.99 1uwa n PRO 79 N -0.32 1.96 -2.57 1.29 -0.02 -1.26 -4.83 135.00 129.25 1uwa n PRO 79 Ca -0.09 0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 1uwa n PRO 79 Cb 0.60 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1uwa n PRO 79 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1uwa n MET 80 N 0.08 3.41 -1.94 -0.52 2.81 0.23 -4.97 117.12 116.22 1uwa n MET 80 Ca 0.06 -3.56 -0.41 0.00 -1.81 0.00 0.00 57.70 51.98 1uwa n MET 80 Cb 0.39 -3.06 -0.02 0.00 -0.71 0.00 0.00 33.22 29.83 1uwa n MET 80 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1uwa s PHE 81 N 1.49 2.87 0.00 2.03 0.08 -1.26 -2.39 117.98 120.80 1uwa s PHE 81 Ca 0.43 1.11 0.00 0.00 0.12 0.00 0.00 56.93 58.59 1uwa s PHE 81 Cb 0.04 -3.88 0.00 0.00 -0.57 0.00 0.00 43.02 38.61 1uwa s PHE 81 CO 0.00 -2.73 0.00 0.41 -0.10 0.00 0.00 175.22 172.80 1uwa n GLY 82 N 1.44 0.83 3.69 4.36 0.00 -1.26 -4.98 105.19 109.28 1uwa n GLY 82 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1uwa n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwa n ARG 84 N 5.25 0.78 -3.78 0.00 1.74 -1.26 -4.93 116.66 114.45 1uwa n ARG 84 Ca 0.14 -2.03 -0.29 0.00 -0.77 0.00 0.00 57.85 54.90 1uwa n ARG 84 Cb 0.42 -1.07 -0.16 0.00 -1.02 0.00 0.00 32.46 30.63 1uwa n ARG 84 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1uwa s ASP 85 N -2.18 3.60 0.40 0.55 2.15 -1.26 -5.02 116.67 114.92 1uwa s ASP 85 Ca 0.21 -1.26 0.10 0.00 0.43 0.00 0.00 52.55 52.04 1uwa s ASP 85 Cb 0.19 -0.85 0.91 0.00 -0.30 0.00 0.00 42.92 42.87 1uwa s ASP 85 CO 0.00 -0.34 1.97 -0.65 -0.17 0.00 0.00 175.17 175.98 1uwa h PRO 86 N 8.11 0.54 -0.51 4.34 0.11 -1.94 -1.02 132.00 141.61 1uwa h PRO 86 Ca -0.15 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.93 1uwa h PRO 86 Cb 1.07 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1uwa h PRO 86 CO 0.41 0.36 0.34 0.52 -0.21 0.00 0.00 178.00 179.42 1uwa h MET 87 N 0.55 0.67 -0.70 1.05 2.86 -1.99 -1.62 114.93 115.76 1uwa h MET 87 Ca 0.29 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 1uwa h MET 87 Cb 0.43 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1uwa h MET 87 CO -0.09 0.44 0.26 0.37 1.06 0.00 0.00 176.91 178.95 1uwa h GLN 88 N 0.69 1.05 -0.19 1.72 4.15 -1.62 0.69 115.11 121.59 1uwa h GLN 88 Ca 0.19 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1uwa h GLN 88 Cb -0.07 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 1uwa h GLN 88 CO -0.04 0.86 -0.07 0.28 -1.93 0.00 0.00 178.83 177.93 1uwa h VAL 89 N 1.02 1.30 -0.78 2.39 2.07 -1.35 -2.08 116.25 118.81 1uwa h VAL 89 Ca 0.23 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.72 1uwa h VAL 89 Cb 0.22 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 1uwa h VAL 89 CO -0.02 0.33 0.48 -0.07 0.02 0.00 0.00 177.57 178.31 1uwa h LEU 90 N 0.09 0.75 -1.10 2.57 3.38 -1.05 -1.34 115.31 118.61 1uwa h LEU 90 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1uwa h LEU 90 Cb 0.53 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1uwa h LEU 90 CO 0.02 0.50 0.41 0.03 0.09 0.00 0.00 178.44 179.48 1uwa h ARG 91 N 0.89 1.03 -0.36 1.13 3.08 -0.78 -2.20 114.38 117.17 1uwa h ARG 91 Ca 0.33 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 60.13 1uwa h ARG 91 Cb 0.13 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1uwa h ARG 91 CO -0.16 0.76 -0.34 0.93 -1.07 0.00 0.00 179.97 180.09 1uwa h GLU 92 N 1.04 0.83 -0.26 0.04 4.39 -0.64 -0.86 114.58 119.13 1uwa h GLU 92 Ca 0.26 -0.41 0.05 0.00 0.34 0.00 0.00 59.36 59.61 1uwa h GLU 92 Cb 0.03 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 1uwa h GLU 92 CO -0.04 1.04 -0.07 0.82 -1.16 0.00 0.00 179.01 179.60 1uwa h ILE 93 N 0.69 0.73 -0.30 3.13 2.04 -1.05 0.23 117.51 122.99 1uwa h ILE 93 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1uwa h ILE 93 Cb 0.90 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1uwa h ILE 93 CO 0.08 0.00 0.10 0.58 0.00 0.00 0.00 178.15 178.91 1uwa h VAL 94 N -0.01 0.91 -0.68 1.67 2.07 -1.19 -0.67 116.25 118.35 1uwa h VAL 94 Ca 0.12 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1uwa h VAL 94 Cb 0.20 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1uwa h VAL 94 CO -0.27 0.04 0.18 0.00 0.02 0.00 0.00 177.57 177.55 1uwa h ALA 95 N 1.19 0.89 -0.04 1.67 0.00 -0.77 -1.63 119.26 120.58 1uwa h ALA 95 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1uwa h ALA 95 Cb 0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1uwa h ALA 95 CO -0.14 0.60 -0.00 0.00 0.00 0.00 0.00 179.25 179.70 1uwa h THR 97 N -0.25 1.00 -0.13 0.00 1.35 -1.10 -1.20 112.91 112.57 1uwa h THR 97 Ca 0.01 -0.49 -0.10 0.00 -0.55 0.00 0.00 66.41 65.29 1uwa h THR 97 Cb 0.35 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1uwa h THR 97 CO 0.00 0.13 -0.30 0.50 -0.25 0.00 0.00 175.52 175.61 1uwa h LYS 98 N 0.00 0.44 -0.18 4.72 3.64 -1.15 -2.25 116.57 121.79 1uwa h LYS 98 Ca -0.00 -0.29 -0.09 0.00 -1.27 0.00 0.00 60.65 59.00 1uwa h LYS 98 Cb 0.26 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1uwa h LYS 98 CO 0.02 0.90 -0.27 0.00 -2.27 0.00 0.00 179.45 177.82 1uwa h ALA 99 N 0.54 1.22 -2.28 5.00 0.00 -1.09 -3.35 119.26 119.29 1uwa h ALA 99 Ca 0.00 -0.33 -0.59 0.00 0.00 0.00 0.00 54.91 53.99 1uwa h ALA 99 Cb 0.89 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.18 1uwa h ALA 99 CO 0.06 0.51 -0.81 1.19 0.00 0.00 0.00 179.25 180.21 1uwa n PHE 100 N -4.13 1.68 0.30 0.00 3.01 -0.48 -4.95 117.46 112.90 1uwa n PHE 100 Ca -0.01 -3.88 0.18 0.00 1.01 0.00 0.00 57.45 54.75 1uwa n PHE 100 Cb 0.39 -0.40 0.76 0.00 -0.01 0.00 0.00 39.48 40.23 1uwa n PHE 100 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1uwa h PRO 101 N 4.47 0.00 -0.45 -1.08 0.13 -1.55 -2.93 132.00 130.58 1uwa h PRO 101 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1uwa h PRO 101 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1uwa h PRO 101 CO 0.64 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.16 1uwa n ASP 102 N -2.95 3.22 -4.96 1.44 8.00 -1.26 -4.69 116.55 115.35 1uwa n ASP 102 Ca 0.00 -1.97 -0.22 0.00 0.71 0.00 0.00 54.79 53.31 1uwa n ASP 102 Cb 0.24 -0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 1uwa n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uwa s ALA 103 N -1.02 3.91 0.16 2.24 0.00 -1.11 -4.48 121.76 121.46 1uwa s ALA 103 Ca 0.31 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1uwa s ALA 103 Cb 0.17 -1.78 -0.07 0.00 0.00 0.00 0.00 23.12 21.44 1uwa s ALA 103 CO 0.22 0.26 1.04 0.71 0.00 0.00 0.00 175.76 177.99 1uwa s TYR 104 N -1.98 3.70 -0.05 0.00 1.51 0.17 -3.89 117.35 116.81 1uwa s TYR 104 Ca 0.35 1.69 0.02 0.00 -1.01 0.00 0.00 57.07 58.11 1uwa s TYR 104 Cb -0.09 -3.18 0.02 0.00 -0.11 0.00 0.00 41.96 38.59 1uwa s TYR 104 CO 0.30 -0.26 -0.09 0.08 -1.11 0.00 0.00 175.55 174.47 1uwa s VAL 105 N -0.24 0.85 0.04 0.71 1.01 -0.70 -1.11 120.40 120.95 1uwa s VAL 105 Ca 0.48 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1uwa s VAL 105 Cb -0.27 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1uwa s VAL 105 CO 0.33 0.29 -0.19 0.00 0.00 0.00 0.00 175.10 175.52 1uwa s ARG 106 N 0.70 1.32 -0.16 2.72 1.70 -0.05 -0.36 118.95 124.82 1uwa s ARG 106 Ca -0.12 -0.89 -0.13 0.00 -0.47 0.00 0.00 55.73 54.12 1uwa s ARG 106 Cb -0.14 -1.41 -0.05 0.00 -0.57 0.00 0.00 34.95 32.78 1uwa s ARG 106 CO 0.02 0.36 0.26 -1.17 -1.08 0.00 0.00 175.30 173.69 1uwa s LEU 107 N -1.13 4.26 0.24 -1.89 2.96 -0.38 -1.69 118.68 121.04 1uwa s LEU 107 Ca 0.06 0.47 0.04 0.00 -0.22 0.00 0.00 54.13 54.49 1uwa s LEU 107 Cb -0.09 -2.31 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 1uwa s LEU 107 CO 0.02 0.14 -0.03 0.68 -1.32 0.00 0.00 176.35 175.84 1uwa s VAL 108 N 0.29 1.22 0.01 1.68 -7.23 0.01 -1.58 120.40 114.79 1uwa s VAL 108 Ca 0.15 -2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1uwa s VAL 108 Cb -0.13 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.47 1uwa s VAL 108 CO 0.03 -0.35 0.00 0.00 -0.31 0.00 0.00 175.10 174.47 1uwa s ALA 109 N -3.30 0.01 0.01 1.32 0.00 -0.97 -0.67 121.76 118.17 1uwa s ALA 109 Ca 0.28 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1uwa s ALA 109 Cb 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1uwa s ALA 109 CO 0.09 -0.08 -0.13 -0.06 0.00 0.00 0.00 175.76 175.57 1uwa s PHE 110 N -0.68 2.70 -0.22 0.00 0.08 0.43 -0.38 117.98 119.92 1uwa s PHE 110 Ca -0.07 -0.16 -0.05 0.00 0.12 0.00 0.00 56.93 56.77 1uwa s PHE 110 Cb -0.05 -1.54 -0.01 0.00 -0.57 0.00 0.00 43.02 40.85 1uwa s PHE 110 CO -0.00 0.29 -0.02 0.34 -0.10 0.00 0.00 175.22 175.72 1uwa s ASP 111 N -1.33 4.52 0.00 1.36 -1.08 -0.53 -0.43 116.67 119.19 1uwa s ASP 111 Ca 0.15 -0.33 0.27 0.00 -0.52 0.00 0.00 52.55 52.12 1uwa s ASP 111 Cb -0.11 -1.78 0.79 0.00 -1.46 0.00 0.00 42.92 40.36 1uwa s ASP 111 CO 0.05 -0.01 1.60 -0.46 0.52 0.00 0.00 175.17 176.88 1uwa n ASN 112 N 4.71 0.49 0.00 -0.34 6.94 -1.26 -1.31 115.26 124.48 1uwa n ASN 112 Ca -0.18 -0.26 -0.19 0.00 -0.02 0.00 0.00 54.58 53.93 1uwa n ASN 112 Cb 0.51 0.04 -0.14 0.00 -2.36 0.00 0.00 39.78 37.84 1uwa n ASN 112 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1uwa h GLN 113 N 0.28 0.20 0.00 -3.83 1.08 -1.95 -3.30 115.11 107.58 1uwa h GLN 113 Ca 0.00 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 1uwa h GLN 113 Cb 0.48 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1uwa h GLN 113 CO 0.00 1.16 -0.21 1.63 -0.95 0.00 0.00 178.83 180.46 1uwa n LYS 114 N -4.20 0.26 -3.68 1.46 5.02 -1.25 -4.98 118.16 110.79 1uwa n LYS 114 Ca -0.17 0.16 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 1uwa n LYS 114 Cb 0.76 -1.75 0.02 0.00 -0.02 0.00 0.00 35.03 34.04 1uwa n LYS 114 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1uwa n GLN 115 N -2.18 -1.16 -3.61 1.97 7.27 -0.43 -5.03 117.38 114.22 1uwa n GLN 115 Ca 0.05 0.62 -0.16 0.00 0.07 0.00 0.00 57.00 57.58 1uwa n GLN 115 Cb 0.43 -3.68 -0.07 0.00 2.41 0.00 0.00 30.24 29.33 1uwa n GLN 115 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1uwa s VAL 116 N -3.29 0.02 0.24 1.69 0.11 -0.94 -5.02 120.40 113.20 1uwa s VAL 116 Ca 0.30 -0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 58.89 1uwa s VAL 116 Cb -0.12 -0.87 -0.10 0.00 -1.53 0.00 0.00 36.38 33.76 1uwa s VAL 116 CO 0.87 -0.09 1.47 -1.58 -3.33 0.00 0.00 175.10 172.45 1uwa s GLN 117 N -1.16 4.25 -0.00 1.54 0.74 -1.26 -1.45 119.66 122.32 1uwa s GLN 117 Ca -0.11 2.33 0.02 0.00 0.05 0.00 0.00 55.36 57.65 1uwa s GLN 117 Cb -0.02 -3.11 -0.02 0.00 1.10 0.00 0.00 33.01 30.96 1uwa s GLN 117 CO 0.08 -0.47 0.09 1.51 -0.55 0.00 0.00 175.29 175.95 1uwa n ILE 118 N 2.59 0.00 -3.50 -2.34 0.13 0.49 -4.90 119.36 111.84 1uwa n ILE 118 Ca 0.08 -0.45 -0.11 0.00 -1.10 0.00 0.00 62.75 61.17 1uwa n ILE 118 Cb 0.40 0.99 -0.02 0.00 -0.84 0.00 0.00 39.64 40.17 1uwa n ILE 118 CO 0.00 0.00 0.00 -0.32 2.80 0.00 0.00 176.55 179.03 1uwa s MET 119 N -1.21 1.29 0.00 9.51 -2.45 -1.22 -4.99 119.30 120.23 1uwa s MET 119 Ca 0.01 -0.56 0.00 0.00 -1.25 0.00 0.00 55.69 53.88 1uwa s MET 119 Cb 0.02 0.57 0.00 0.00 1.25 0.00 0.00 34.83 36.66 1uwa s MET 119 CO 0.09 -0.56 0.00 0.41 1.05 0.00 0.00 175.02 176.01 1uwa n GLY 120 N -0.36 1.39 3.47 2.11 0.00 -1.26 -2.29 105.19 108.26 1uwa n GLY 120 Ca -0.16 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1uwa n GLY 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uwa s PHE 121 N -0.64 -0.56 0.18 1.61 -0.71 -0.62 -4.43 117.98 112.82 1uwa s PHE 121 Ca 0.00 0.62 -0.30 0.00 -1.04 0.00 0.00 56.93 56.21 1uwa s PHE 121 Cb 0.00 0.50 -0.08 0.00 -1.21 0.00 0.00 43.02 42.23 1uwa s PHE 121 CO 0.00 -0.71 1.24 -1.17 -1.34 0.00 0.00 175.22 173.24 1uwa s LEU 122 N -2.09 4.43 -0.00 -1.99 2.96 -1.26 -1.25 118.68 119.47 1uwa s LEU 122 Ca -0.03 2.27 0.03 0.00 -0.22 0.00 0.00 54.13 56.18 1uwa s LEU 122 Cb -0.01 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 1uwa s LEU 122 CO -0.04 -0.45 0.10 1.33 -1.32 0.00 0.00 176.35 175.98 1uwa n VAL 123 N 2.74 0.00 -3.73 1.68 0.24 0.52 -4.89 118.33 114.88 1uwa n VAL 123 Ca 0.06 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1uwa n VAL 123 Cb 0.44 0.82 -0.10 0.00 -1.47 0.00 0.00 33.84 33.53 1uwa n VAL 123 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1uwa s GLN 124 N -1.56 0.46 0.11 7.34 0.74 -0.82 -4.96 119.66 120.99 1uwa s GLN 124 Ca 0.00 0.58 0.10 0.00 0.05 0.00 0.00 55.36 56.09 1uwa s GLN 124 Cb 0.02 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.30 1uwa s GLN 124 CO 0.11 -0.07 -0.24 -0.98 -0.55 0.00 0.00 175.29 173.57 1uwa s ARG 125 N 0.32 1.30 0.43 1.67 1.70 -1.26 -1.72 118.95 121.38 1uwa s ARG 125 Ca -0.01 -1.26 -0.25 0.00 -0.47 0.00 0.00 55.73 53.74 1uwa s ARG 125 Cb -0.03 -1.69 -0.10 0.00 -0.57 0.00 0.00 34.95 32.56 1uwa s ARG 125 CO -0.01 0.40 1.30 -0.35 -1.08 0.00 0.00 175.30 175.57 1uwa n PRO 126 N 1.03 2.00 0.28 3.89 -0.04 -1.25 -4.89 135.00 136.01 1uwa n PRO 126 Ca -0.19 0.71 0.15 0.00 -0.04 0.00 0.00 63.50 64.13 1uwa n PRO 126 Cb 0.53 -2.43 0.80 0.00 -0.04 0.00 0.00 33.50 32.36 1uwa n PRO 126 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1uwa h LYS 127 N 2.13 0.00 -0.00 0.54 6.56 -1.91 -2.42 116.57 121.47 1uwa h LYS 127 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1uwa h LYS 127 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 1uwa h LYS 127 CO 0.60 0.08 -0.03 -1.13 -2.06 0.00 0.00 179.45 176.91 1uwa n SER 128 N -3.48 0.33 -4.70 0.86 3.41 -1.26 -4.88 113.62 103.91 1uwa n SER 128 Ca -0.02 -0.82 -0.42 0.00 -0.26 0.00 0.00 58.87 57.35 1uwa n SER 128 Cb 0.22 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1uwa n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uwa s ALA 129 N -2.22 3.65 0.00 7.33 0.00 -0.91 -4.89 121.76 124.72 1uwa s ALA 129 Ca 0.38 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1uwa s ALA 129 Cb 0.21 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1uwa s ALA 129 CO 0.41 -0.86 0.92 0.54 0.00 0.00 0.00 175.76 176.76 1uwa n ARG 130 N 4.78 2.48 -0.78 0.00 1.74 -1.26 -4.77 116.66 118.86 1uwa n ARG 130 Ca 0.14 -1.34 0.08 0.00 -0.77 0.00 0.00 57.85 55.96 1uwa n ARG 130 Cb 0.41 -0.93 0.38 0.00 -1.02 0.00 0.00 32.46 31.30 1uwa n ARG 130 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1uwa n ASP 131 N -0.42 5.26 -4.12 0.55 3.85 -1.26 -4.86 116.55 115.55 1uwa n ASP 131 Ca 0.00 -2.73 -0.10 0.00 -0.71 0.00 0.00 54.79 51.25 1uwa n ASP 131 Cb 0.28 -0.64 -0.10 0.00 -1.35 0.00 0.00 41.12 39.30 1uwa n ASP 131 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1uwa s TRP 132 N -2.39 0.73 0.02 2.11 1.48 -0.96 -1.14 118.94 118.80 1uwa s TRP 132 Ca 0.52 -0.84 0.04 0.00 -1.06 0.00 0.00 56.10 54.76 1uwa s TRP 132 Cb 0.37 -0.45 -0.03 0.00 -1.16 0.00 0.00 33.47 32.20 1uwa s TRP 132 CO 0.19 -0.19 -0.09 -0.65 -4.06 0.00 0.00 176.95 172.15 1uwa s GLN 133 N -3.25 2.42 0.69 3.25 -1.52 -1.12 -4.80 119.66 115.33 1uwa s GLN 133 Ca 0.05 -0.81 -0.16 0.00 -1.95 0.00 0.00 55.36 52.49 1uwa s GLN 133 Cb 0.02 -2.42 0.01 0.00 -0.22 0.00 0.00 33.01 30.40 1uwa s GLN 133 CO -0.05 0.58 1.21 -1.25 -0.25 0.00 0.00 175.29 175.53 1uwa s PRO 134 N -1.54 2.41 0.28 2.91 0.04 -1.26 -4.88 135.00 132.96 1uwa s PRO 134 Ca 0.17 1.78 -0.00 0.00 0.04 0.00 0.00 61.00 63.00 1uwa s PRO 134 Cb -0.11 -1.86 0.65 0.00 0.04 0.00 0.00 34.50 33.22 1uwa s PRO 134 CO 0.08 -1.63 1.64 0.00 0.04 0.00 0.00 177.00 177.13 1uwa h ALA 135 N 0.07 1.16 0.00 8.56 0.00 -1.97 -1.20 119.26 125.89 1uwa h ALA 135 Ca -0.49 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1uwa h ALA 135 Cb 1.30 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1uwa h ALA 135 CO 0.52 -0.46 0.00 0.27 0.00 0.00 0.00 179.25 179.58 1uwa n ASN 136 N -5.26 0.00 -0.37 0.00 6.94 -1.26 -2.93 115.26 112.38 1uwa n ASN 136 Ca 0.20 -0.15 0.04 0.00 -0.02 0.00 0.00 54.58 54.64 1uwa n ASN 136 Cb 0.64 -0.26 0.10 0.00 -2.36 0.00 0.00 39.78 37.90 1uwa n ASN 136 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uwa n LYS 137 N -1.26 2.87 0.18 -3.83 4.76 -0.46 -4.61 118.16 115.80 1uwa n LYS 137 Ca 0.13 -1.89 0.05 0.00 -2.87 0.00 0.00 58.31 53.73 1uwa n LYS 137 Cb 0.19 -1.20 0.27 0.00 -1.84 0.00 0.00 35.03 32.45 1uwa n LYS 137 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uwa h ARG 138 N 1.10 0.00 -5.63 1.97 3.08 -1.42 -3.44 114.38 110.04 1uwa h ARG 138 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1uwa h ARG 138 Cb 0.68 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.54 1uwa h ARG 138 CO 0.01 0.40 -0.78 -1.54 -1.07 0.00 0.00 179.97 176.99 1uwa s SER 139 N -6.42 2.12 0.00 7.04 1.04 -1.26 -0.92 113.70 115.30 1uwa s SER 139 Ca 0.01 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1uwa s SER 139 Cb 0.10 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1uwa s SER 139 CO 0.70 -0.07 0.21 1.33 0.98 0.00 0.00 173.24 176.39