#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 3.39 -0.20 0.03 1.00 -1.26 -5.03 119.30 117.23 1uwa s MET 2 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 55.69 55.18 1uwa s MET 2 Cb 0.00 -3.01 -0.02 0.00 0.00 0.00 0.00 34.83 31.81 1uwa s MET 2 CO 0.00 0.60 -0.04 0.08 0.00 0.00 0.00 175.02 175.66 1uwa s VAL 3 N -1.51 3.60 -0.07 -6.03 1.01 -1.26 -4.87 120.40 111.27 1uwa s VAL 3 Ca 0.34 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1uwa s VAL 3 Cb -0.13 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1uwa s VAL 3 CO 0.27 0.44 1.49 0.86 0.00 0.00 0.00 175.10 178.16 1uwa s TRP 4 N 1.05 2.44 0.13 5.22 -0.11 -1.26 -0.96 118.94 125.46 1uwa s TRP 4 Ca 0.01 0.57 -0.30 0.00 1.22 0.00 0.00 56.10 57.60 1uwa s TRP 4 Cb -0.15 -3.74 -0.06 0.00 -1.50 0.00 0.00 33.47 28.02 1uwa s TRP 4 CO 0.00 -2.93 1.04 -0.08 -4.62 0.00 0.00 176.95 170.36 1uwa s THR 5 N 3.44 4.21 -1.31 5.86 -1.32 -0.23 -4.93 115.64 121.37 1uwa s THR 5 Ca 0.66 1.84 0.27 0.00 -1.21 0.00 0.00 61.69 63.25 1uwa s THR 5 Cb -0.30 -4.17 0.23 0.00 -1.51 0.00 0.00 72.50 66.74 1uwa s THR 5 CO 0.25 0.28 1.68 -0.81 -2.21 0.00 0.00 174.62 173.81 1uwa n PRO 6 N 2.71 0.33 -3.51 7.08 -0.04 -1.26 -4.74 135.00 135.58 1uwa n PRO 6 Ca 0.03 -0.14 -0.37 0.00 -0.04 0.00 0.00 63.50 62.98 1uwa n PRO 6 Cb 0.48 -1.50 -0.08 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 -2.77 5.28 -1.42 0.52 1.01 -1.26 -4.45 120.40 117.31 1uwa s VAL 7 Ca 0.19 0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 1uwa s VAL 7 Cb 0.19 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1uwa s VAL 7 CO 0.57 0.32 0.36 0.59 0.00 0.00 0.00 175.10 176.93 1uwa n ASN 8 N 4.18 -0.28 -2.43 3.32 5.03 -1.26 -4.88 115.26 118.95 1uwa n ASN 8 Ca -0.11 -1.06 -0.12 0.00 0.87 0.00 0.00 54.58 54.16 1uwa n ASN 8 Cb 0.52 -2.78 0.03 0.00 -1.02 0.00 0.00 39.78 36.53 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 -2.95 3.27 -4.76 6.41 4.05 -1.11 -2.26 115.26 117.92 1uwa n ASN 9 Ca -0.31 -2.90 -0.35 0.00 0.45 0.00 0.00 54.58 51.48 1uwa n ASN 9 Cb 0.68 -0.41 0.04 0.00 1.23 0.00 0.00 39.78 41.32 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 2.90 0.42 1.20 1.02 -0.34 -4.84 119.74 116.39 1uwa s LYS 10 Ca 0.39 1.66 0.04 0.00 0.02 0.00 0.00 55.97 58.08 1uwa s LYS 10 Cb 0.37 -1.94 -0.04 0.00 -0.52 0.00 0.00 37.83 35.70 1uwa s LYS 10 CO 0.00 -1.23 0.06 -1.64 -0.92 0.00 0.00 175.35 171.62 1uwa s MET 11 N -3.58 1.95 -0.29 1.68 -1.94 -1.26 -4.63 119.30 111.21 1uwa s MET 11 Ca 0.73 -2.17 0.20 0.00 -1.71 0.00 0.00 55.69 52.74 1uwa s MET 11 Cb -0.26 -1.11 0.48 0.00 2.01 0.00 0.00 34.83 35.95 1uwa s MET 11 CO 0.35 -0.30 1.04 1.19 -0.01 0.00 0.00 175.02 177.29 1uwa n PHE 12 N -0.97 1.34 -4.90 -0.03 3.01 -1.26 -5.12 117.46 109.53 1uwa n PHE 12 Ca -0.09 -2.46 0.00 0.00 1.01 0.00 0.00 57.45 55.91 1uwa n PHE 12 Cb 0.66 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 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 -0.36 0.00 -1.68 -1.08 -0.58 -1.26 -4.61 120.64 111.07 1uwa n GLU 13 Ca 0.10 0.00 -0.47 0.00 -0.42 0.00 0.00 57.16 56.38 1uwa n GLU 13 Cb 0.81 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.64 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 0.28 -0.34 2.62 -1.04 -1.26 -1.64 114.28 112.90 1uwa n THR 14 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1uwa n THR 14 Cb 0.00 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 66.78 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 4.96 0.00 0.36 -1.42 0.99 -1.26 -4.60 117.46 116.50 1uwa n PHE 15 Ca 0.19 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.72 1uwa n PHE 15 Cb 0.30 0.00 0.34 0.00 -1.00 0.00 0.00 39.48 39.12 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 0.24 -0.68 4.37 3.41 -0.65 -1.90 113.62 118.41 1uwa n SER 16 Ca 0.00 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 1uwa n SER 16 Cb 0.00 -0.62 0.36 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.78 0.08 -3.39 7.33 4.02 -1.26 -4.86 117.16 117.29 1uwa n TYR 17 Ca 0.02 -0.04 -0.19 0.00 -0.01 0.00 0.00 57.90 57.68 1uwa n TYR 17 Cb 0.15 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.46 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 -1.88 3.83 0.57 7.72 1.43 -0.80 -5.08 118.68 124.48 1uwa s LEU 18 Ca 0.34 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.95 1uwa s LEU 18 Cb 0.20 -2.65 -0.06 0.00 0.03 0.00 0.00 46.19 43.72 1uwa s LEU 18 CO 0.31 -0.51 1.00 -2.65 0.23 0.00 0.00 176.35 174.73 1uwa n PRO 19 N -1.66 1.04 -1.64 1.29 -0.02 -1.26 -4.88 135.00 127.88 1uwa n PRO 19 Ca 0.02 0.40 -0.44 0.00 -2.02 0.00 0.00 63.50 61.45 1uwa n PRO 19 Cb 0.59 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.81 1.70 -2.00 0.52 -0.02 -1.26 -4.86 135.00 128.26 1uwa n PRO 20 Ca 0.13 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 1uwa n PRO 20 Cb 0.46 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 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 -0.13 4.37 0.90 2.45 1.43 -1.26 -5.01 118.68 121.42 1uwa s LEU 21 Ca 0.59 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 56.07 1uwa s LEU 21 Cb -0.65 -3.59 0.13 0.00 0.03 0.00 0.00 46.19 42.11 1uwa s LEU 21 CO 0.60 -0.79 1.10 0.42 0.23 0.00 0.00 176.35 177.91 1uwa s THR 22 N 1.45 2.56 0.33 5.49 -4.23 -1.26 -4.82 115.64 115.15 1uwa s THR 22 Ca 0.69 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 61.39 1uwa s THR 22 Cb -0.41 -2.76 0.27 0.00 1.34 0.00 0.00 72.50 70.94 1uwa s THR 22 CO 0.31 -0.24 1.98 0.44 -0.54 0.00 0.00 174.62 176.57 1uwa h ASP 23 N -1.50 0.83 -0.28 3.99 3.32 -1.99 -0.23 116.42 120.56 1uwa h ASP 23 Ca -0.50 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 1uwa h ASP 23 Cb 1.29 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 1uwa h ASP 23 CO 0.57 0.59 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.51 1uwa h GLU 24 N 0.97 0.67 -0.17 3.56 4.81 -1.99 -1.12 114.58 121.31 1uwa h GLU 24 Ca 0.29 -0.20 -0.21 0.00 -0.13 0.00 0.00 59.36 59.12 1uwa h GLU 24 Cb -0.04 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1uwa h GLU 24 CO -0.07 0.74 -0.71 1.96 -0.73 0.00 0.00 179.01 180.20 1uwa h GLN 25 N 0.62 0.72 0.03 1.92 4.20 -1.71 -1.59 115.11 119.30 1uwa h GLN 25 Ca 0.11 -0.55 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 1uwa h GLN 25 Cb 0.51 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1uwa h GLN 25 CO 0.03 1.17 -0.01 0.82 -0.67 0.00 0.00 178.83 180.17 1uwa h ILE 26 N 0.51 1.07 -0.96 2.54 2.04 -1.00 -2.23 117.51 119.48 1uwa h ILE 26 Ca -0.03 -0.31 0.16 0.00 1.00 0.00 0.00 64.86 65.67 1uwa h ILE 26 Cb 1.32 1.28 -0.10 0.00 -0.74 0.00 0.00 36.82 38.58 1uwa h ILE 26 CO 0.14 0.08 0.57 0.00 0.00 0.00 0.00 178.15 178.94 1uwa h ALA 27 N 0.80 1.51 -0.66 1.87 0.00 -1.18 -0.10 119.26 121.50 1uwa h ALA 27 Ca -0.00 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1uwa h ALA 27 Cb 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1uwa h ALA 27 CO 0.01 0.02 0.11 0.00 0.00 0.00 0.00 179.25 179.38 1uwa h ALA 28 N 1.59 0.94 -0.57 0.00 0.00 -1.07 0.06 119.26 120.21 1uwa h ALA 28 Ca 0.52 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1uwa h ALA 28 Cb 0.71 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1uwa h ALA 28 CO -0.34 0.66 -0.02 1.96 0.00 0.00 0.00 179.25 181.50 1uwa h GLN 29 N 1.02 1.01 -0.52 0.00 1.08 -0.58 -2.00 115.11 115.12 1uwa h GLN 29 Ca 0.20 -0.32 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 1uwa h GLN 29 Cb 0.44 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1uwa h GLN 29 CO 0.01 1.00 0.25 0.28 -0.95 0.00 0.00 178.83 179.42 1uwa h VAL 30 N 0.92 1.20 -1.00 -0.54 2.07 -0.83 -2.04 116.25 116.02 1uwa h VAL 30 Ca 0.16 -0.55 0.10 0.00 0.82 0.00 0.00 66.70 67.23 1uwa h VAL 30 Cb 0.57 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 1uwa h VAL 30 CO 0.03 0.22 0.64 0.44 0.02 0.00 0.00 177.57 178.92 1uwa h ASP 31 N 0.69 0.97 -0.66 0.57 3.32 -0.77 -1.93 116.42 118.62 1uwa h ASP 31 Ca 0.18 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1uwa h ASP 31 Cb 0.12 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1uwa h ASP 31 CO -0.02 0.56 0.32 0.22 -1.72 0.00 0.00 179.24 178.60 1uwa h TYR 32 N 1.07 0.94 -0.10 4.55 3.20 -0.93 0.15 116.97 125.85 1uwa h TYR 32 Ca 0.47 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.33 1uwa h TYR 32 Cb 0.36 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1uwa h TYR 32 CO -0.00 0.70 -0.07 0.82 -1.64 0.00 0.00 178.16 177.97 1uwa h ILE 33 N 0.91 0.80 -0.31 1.81 2.04 -0.74 -2.48 117.51 119.53 1uwa h ILE 33 Ca 0.23 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.03 1uwa h ILE 33 Cb 0.11 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1uwa h ILE 33 CO -0.03 0.00 -0.04 0.58 0.00 0.00 0.00 178.15 178.66 1uwa h VAL 34 N -0.07 1.27 -0.05 1.67 2.07 -1.14 -2.20 116.25 117.80 1uwa h VAL 34 Ca 0.06 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.55 1uwa h VAL 34 Cb 0.16 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1uwa h VAL 34 CO -0.14 0.34 0.04 0.00 0.02 0.00 0.00 177.57 177.83 1uwa h ALA 35 N 0.81 1.92 -0.01 1.67 0.00 -0.65 -1.25 119.26 121.75 1uwa h ALA 35 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1uwa h ALA 35 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1uwa h ALA 35 CO 0.02 -0.07 -0.27 0.09 0.00 0.00 0.00 179.25 179.02 1uwa n ASN 36 N -4.32 1.69 -0.90 0.00 3.02 -0.94 -4.97 115.26 108.84 1uwa n ASN 36 Ca -0.02 -1.34 -0.09 0.00 -0.03 0.00 0.00 54.58 53.11 1uwa n ASN 36 Cb 0.14 0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 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 1.35 0.40 3.90 7.41 0.00 -0.47 -5.03 105.19 112.75 1uwa n GLY 37 Ca 0.12 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.40 3.33 -0.39 1.61 0.51 -0.88 -4.98 118.94 115.74 1uwa s TRP 38 Ca 0.00 0.81 -0.15 0.00 -2.12 0.00 0.00 56.10 54.64 1uwa s TRP 38 Cb 0.00 -2.79 0.01 0.00 -0.81 0.00 0.00 33.47 29.88 1uwa s TRP 38 CO 0.00 -0.86 0.35 0.42 -0.51 0.00 0.00 176.95 176.34 1uwa s ILE 39 N -3.08 5.19 0.44 2.03 1.01 0.49 -4.74 121.20 122.54 1uwa s ILE 39 Ca 0.55 -0.35 -0.23 0.00 0.00 0.00 0.00 60.65 60.61 1uwa s ILE 39 Cb -0.11 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 1uwa s ILE 39 CO 0.48 -0.26 1.10 -2.84 0.00 0.00 0.00 174.94 173.42 1uwa s PRO 40 N 1.90 3.93 -0.09 2.79 0.02 -1.26 -0.40 135.00 141.88 1uwa s PRO 40 Ca 0.09 1.61 -0.21 0.00 0.02 0.00 0.00 61.00 62.51 1uwa s PRO 40 Cb -0.18 -2.42 0.05 0.00 0.02 0.00 0.00 34.50 31.97 1uwa s PRO 40 CO 0.12 -0.37 0.51 0.00 -0.33 0.00 0.00 177.00 176.92 1uwa s LEU 42 N -0.70 3.48 0.07 0.00 1.43 -1.26 -0.87 118.68 120.82 1uwa s LEU 42 Ca -0.08 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1uwa s LEU 42 Cb -0.03 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1uwa s LEU 42 CO 0.05 0.24 -0.08 -1.61 0.23 0.00 0.00 176.35 175.18 1uwa s GLU 43 N -1.81 0.67 0.10 1.70 2.02 -0.65 -1.02 118.70 119.70 1uwa s GLU 43 Ca 0.22 -0.98 -0.10 0.00 0.02 0.00 0.00 54.97 54.12 1uwa s GLU 43 Cb -0.12 -0.33 0.01 0.00 0.10 0.00 0.00 34.13 33.79 1uwa s GLU 43 CO 0.13 0.04 0.23 -0.59 0.02 0.00 0.00 175.26 175.09 1uwa s PHE 44 N -2.14 0.08 -0.21 1.61 -0.12 -0.20 -0.88 117.98 116.12 1uwa s PHE 44 Ca -0.02 -0.49 -0.24 0.00 -0.05 0.00 0.00 56.93 56.13 1uwa s PHE 44 Cb -0.05 0.00 0.07 0.00 -0.63 0.00 0.00 43.02 42.41 1uwa s PHE 44 CO -0.01 -0.58 0.67 0.00 -0.05 0.00 0.00 175.22 175.25 1uwa s ALA 45 N -3.85 -1.67 0.77 1.99 0.00 -0.32 -0.73 121.76 117.95 1uwa s ALA 45 Ca 0.05 1.77 -0.12 0.00 0.00 0.00 0.00 51.96 53.65 1uwa s ALA 45 Cb 0.04 -0.90 0.06 0.00 0.00 0.00 0.00 23.12 22.32 1uwa s ALA 45 CO -0.11 -0.33 1.13 -1.83 0.00 0.00 0.00 175.76 174.62 1uwa s GLU 46 N 0.07 2.07 0.29 0.00 -1.05 -1.26 -0.51 118.70 118.30 1uwa s GLU 46 Ca -0.02 1.43 0.04 0.00 -0.15 0.00 0.00 54.97 56.28 1uwa s GLU 46 Cb -0.04 -1.86 0.70 0.00 -0.44 0.00 0.00 34.13 32.49 1uwa s GLU 46 CO 0.02 -1.82 1.76 0.00 0.95 0.00 0.00 175.26 176.17 1uwa h ALA 47 N -0.86 1.57 0.00 -0.84 0.00 -1.96 -0.29 119.26 116.88 1uwa h ALA 47 Ca -0.45 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1uwa h ALA 47 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1uwa h ALA 47 CO 0.49 -0.10 0.00 -0.44 0.00 0.00 0.00 179.25 179.21 1uwa h ASP 48 N 0.69 0.00 -0.25 0.00 3.32 -1.99 -2.99 116.42 115.20 1uwa h ASP 48 Ca 0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.61 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 -0.40 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.41 1uwa n LYS 49 N -2.52 2.78 0.07 3.56 4.76 -0.13 -4.74 118.16 121.94 1uwa n LYS 49 Ca 0.01 -2.37 -0.23 0.00 -2.87 0.00 0.00 58.31 52.85 1uwa n LYS 49 Cb 0.21 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.75 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 1.57 0.15 -3.14 7.82 0.00 -1.40 -3.45 119.26 120.81 1uwa h ALA 50 Ca 0.00 -1.14 -0.65 0.00 0.00 0.00 0.00 54.91 53.12 1uwa h ALA 50 Cb 1.03 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 19.18 1uwa h ALA 50 CO 0.09 1.01 -0.59 0.71 0.00 0.00 0.00 179.25 180.48 1uwa s TYR 51 N -2.57 3.25 0.22 0.00 1.51 -1.26 -4.96 117.35 113.53 1uwa s TYR 51 Ca -0.16 0.16 -0.31 0.00 -1.01 0.00 0.00 57.07 55.75 1uwa s TYR 51 Cb 0.05 -1.70 -0.15 0.00 -0.11 0.00 0.00 41.96 40.06 1uwa s TYR 51 CO 0.85 0.54 1.15 0.28 -1.11 0.00 0.00 175.55 177.26 1uwa n VAL 52 N 0.93 1.26 -4.11 0.71 0.31 -1.26 -4.72 118.33 111.45 1uwa n VAL 52 Ca -0.11 -0.31 -0.16 0.00 -0.01 0.00 0.00 64.34 63.74 1uwa n VAL 52 Cb 0.52 -0.99 -0.04 0.00 -0.91 0.00 0.00 33.84 32.42 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 1.78 -1.26 -0.04 4.52 3.41 -0.91 -4.98 113.62 116.14 1uwa n SER 53 Ca 0.13 -2.98 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 1uwa n SER 53 Cb 0.28 2.42 0.01 0.00 -0.26 0.00 0.00 64.21 66.66 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 -1.63 1.49 -0.17 4.04 3.02 -1.26 -1.09 115.26 119.66 1uwa n ASN 54 Ca 0.02 -1.44 0.18 0.00 -0.03 0.00 0.00 54.58 53.31 1uwa n ASN 54 Cb 0.60 -0.01 0.54 0.00 -0.61 0.00 0.00 39.78 40.30 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 0.15 0.34 0.00 3.52 9.09 -1.99 -0.42 114.58 125.28 1uwa h GLU 55 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.39 1uwa h GLU 55 Cb 0.24 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1uwa h GLU 55 CO 0.00 0.22 0.00 0.77 0.05 0.00 0.00 179.01 180.05 1uwa h SER 56 N 0.35 0.00 0.61 3.06 0.02 -2.00 -3.14 113.55 112.45 1uwa h SER 56 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1uwa h SER 56 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1uwa h SER 56 CO -0.12 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.57 1uwa h ALA 57 N 2.09 1.00 -0.19 3.77 0.00 -1.46 -1.69 119.26 122.78 1uwa h ALA 57 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1uwa h ALA 57 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1uwa h ALA 57 CO 0.00 0.00 0.21 0.97 0.00 0.00 0.00 179.25 180.43 1uwa h ILE 58 N 0.00 0.47 -0.01 0.00 2.10 -1.73 -1.47 117.51 116.87 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 0.31 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 36.87 1uwa h ILE 58 CO 0.00 0.00 -0.16 0.54 -1.08 0.00 0.00 178.15 177.45 1uwa n ARG 59 N -3.80 0.96 -3.44 2.19 1.74 -0.64 -4.97 116.66 108.70 1uwa n ARG 59 Ca 0.02 -0.49 -0.29 0.00 -0.77 0.00 0.00 57.85 56.32 1uwa n ARG 59 Cb 0.33 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.38 3.47 0.00 -1.55 2.99 -0.56 -5.11 117.98 114.85 1uwa s PHE 60 Ca 0.29 0.58 0.00 0.00 0.00 0.00 0.00 56.93 57.80 1uwa s PHE 60 Cb 0.20 -2.05 0.00 0.00 0.00 0.00 0.00 43.02 41.17 1uwa s PHE 60 CO 0.47 0.24 0.00 0.41 -0.00 0.00 0.00 175.22 176.34 1uwa n GLY 61 N -0.76 0.18 2.46 4.36 0.00 -1.26 -4.91 105.19 105.26 1uwa n GLY 61 Ca -0.02 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 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 7.71 -0.98 1.61 7.64 -1.26 -4.49 113.62 123.85 1uwa n SER 62 Ca 0.00 -3.11 0.04 0.00 1.01 0.00 0.00 58.87 56.82 1uwa n SER 62 Cb 0.00 -1.35 0.07 0.00 -1.01 0.00 0.00 64.21 61.92 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 1.68 0.67 0.98 0.44 0.24 -1.26 -4.83 118.33 116.25 1uwa n VAL 63 Ca 0.60 -1.44 0.14 0.00 -2.04 0.00 0.00 64.34 61.60 1uwa n VAL 63 Cb 0.32 0.51 0.61 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.14 0.02 -4.65 -1.34 3.41 -1.26 -4.76 113.62 104.91 1uwa n SER 64 Ca 0.09 0.50 -0.53 0.00 -0.26 0.00 0.00 58.87 58.67 1uwa n SER 64 Cb 0.91 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 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 6.78 -1.73 -4.59 0.00 4.77 -1.26 -4.99 117.00 115.98 1uwa n LEU 66 Ca 0.28 0.23 -0.37 0.00 -0.03 0.00 0.00 56.01 56.12 1uwa n LEU 66 Cb 0.20 -2.88 -0.11 0.00 -2.33 0.00 0.00 43.42 38.31 1uwa n LEU 66 CO 0.78 -0.61 -0.21 -0.47 -1.33 0.00 0.00 177.39 175.55 1uwa s TYR 67 N -2.90 3.23 0.00 -1.77 5.04 -0.11 -5.10 117.35 115.74 1uwa s TYR 67 Ca 0.00 0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.67 1uwa s TYR 67 Cb 0.00 -2.26 -0.00 0.00 0.35 0.00 0.00 41.96 40.04 1uwa s TYR 67 CO 0.00 -0.07 -0.02 0.71 -1.34 0.00 0.00 175.55 174.83 1uwa s TYR 68 N 1.27 0.14 0.62 4.97 2.02 -1.26 -4.95 117.35 120.16 1uwa s TYR 68 Ca 0.06 -0.05 -0.13 0.00 -0.37 0.00 0.00 57.07 56.59 1uwa s TYR 68 Cb -0.14 -0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.30 1uwa s TYR 68 CO 0.06 -0.01 1.04 -0.51 -1.57 0.00 0.00 175.55 174.55 1uwa s ASP 69 N -0.11 5.94 -0.72 2.29 1.01 -0.25 -4.22 116.67 120.61 1uwa s ASP 69 Ca -0.00 1.57 0.00 0.00 0.71 0.00 0.00 52.55 54.83 1uwa s ASP 69 Cb -0.01 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1uwa s ASP 69 CO -0.00 -1.07 0.00 0.59 0.21 0.00 0.00 175.17 174.90 1uwa n ASN 70 N -2.57 -3.98 -0.03 0.27 3.02 -1.26 -2.15 115.26 108.55 1uwa n ASN 70 Ca 0.07 0.17 -0.15 0.00 -0.03 0.00 0.00 54.58 54.64 1uwa n ASN 70 Cb 0.54 -2.08 -0.12 0.00 -0.61 0.00 0.00 39.78 37.51 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 0.09 0.12 -6.65 3.52 3.08 -1.90 -3.41 114.38 109.24 1uwa h ARG 71 Ca -0.14 -0.13 -0.53 0.00 0.07 0.00 0.00 59.98 59.25 1uwa h ARG 71 Cb 0.50 0.04 0.04 0.00 0.08 0.00 0.00 29.97 30.63 1uwa h ARG 71 CO 0.20 0.90 0.73 0.71 -1.07 0.00 0.00 179.97 181.45 1uwa s TYR 72 N -3.01 3.16 0.23 3.04 2.02 -1.26 -5.05 117.35 116.47 1uwa s TYR 72 Ca -0.16 1.01 0.02 0.00 -0.37 0.00 0.00 57.07 57.57 1uwa s TYR 72 Cb 0.00 -3.73 0.02 0.00 -0.40 0.00 0.00 41.96 37.85 1uwa s TYR 72 CO 0.73 -2.46 0.18 0.91 -1.57 0.00 0.00 175.55 173.34 1uwa n TRP 73 N 3.08 -1.28 -3.61 2.71 7.02 -1.26 -5.06 117.44 119.04 1uwa n TRP 73 Ca 0.09 -0.96 -0.36 0.00 -1.02 0.00 0.00 57.50 55.25 1uwa n TRP 73 Cb 0.41 -0.19 -0.07 0.00 -2.42 0.00 0.00 31.31 29.04 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 -1.07 5.34 0.14 -0.99 2.01 0.09 -4.88 115.64 116.29 1uwa s THR 74 Ca 0.14 0.42 -0.31 0.00 0.31 0.00 0.00 61.69 62.25 1uwa s THR 74 Cb -0.01 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.84 1uwa s THR 74 CO 0.09 0.41 1.43 -0.32 -0.69 0.00 0.00 174.62 175.53 1uwa s MET 75 N 0.43 4.30 -0.45 4.92 1.75 -1.26 -1.03 119.30 127.96 1uwa s MET 75 Ca 0.13 2.15 -0.26 0.00 -1.25 0.00 0.00 55.69 56.46 1uwa s MET 75 Cb -0.12 -3.22 0.03 0.00 2.84 0.00 0.00 34.83 34.36 1uwa s MET 75 CO 0.02 -0.46 0.94 -0.46 -0.65 0.00 0.00 175.02 174.41 1uwa s TRP 76 N 1.00 2.94 0.00 4.11 -0.11 -0.19 -4.90 118.94 121.79 1uwa s TRP 76 Ca 0.65 0.46 0.00 0.00 1.22 0.00 0.00 56.10 58.43 1uwa s TRP 76 Cb -0.39 -3.96 0.00 0.00 -1.50 0.00 0.00 33.47 27.63 1uwa s TRP 76 CO 0.31 -1.07 0.00 1.63 -4.62 0.00 0.00 176.95 173.20 1uwa n LYS 77 N 7.16 0.00 -4.38 5.86 5.02 -1.26 -4.50 118.16 126.05 1uwa n LYS 77 Ca 0.07 0.00 -0.20 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 0.45 -0.35 1.43 -1.26 -5.09 118.68 116.41 1uwa s LEU 78 Ca 0.00 -1.05 -0.25 0.00 -1.03 0.00 0.00 54.13 51.80 1uwa s LEU 78 Cb 0.00 -0.74 -0.09 0.00 0.03 0.00 0.00 46.19 45.39 1uwa s LEU 78 CO 0.00 -0.17 1.30 -2.65 0.23 0.00 0.00 176.35 175.07 1uwa n PRO 79 N -0.46 1.92 -2.39 1.29 -0.02 -1.26 -4.83 135.00 129.25 1uwa n PRO 79 Ca -0.07 0.69 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 1uwa n PRO 79 Cb 0.61 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.18 3.42 -1.78 -0.52 2.81 0.43 -4.97 117.12 116.33 1uwa n MET 80 Ca 0.07 -3.44 -0.42 0.00 -1.81 0.00 0.00 57.70 52.11 1uwa n MET 80 Cb 0.41 -3.05 -0.02 0.00 -0.71 0.00 0.00 33.22 29.85 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 1.35 2.80 0.00 2.03 0.08 -1.26 -2.25 117.98 120.73 1uwa s PHE 81 Ca 0.42 0.71 0.00 0.00 0.12 0.00 0.00 56.93 58.18 1uwa s PHE 81 Cb 0.07 -4.07 0.00 0.00 -0.57 0.00 0.00 43.02 38.45 1uwa s PHE 81 CO -0.01 -3.69 0.00 0.41 -0.10 0.00 0.00 175.22 171.84 1uwa n GLY 82 N 2.54 0.71 3.69 4.36 0.00 -1.26 -4.99 105.19 110.23 1uwa n GLY 82 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 5.20 1.04 -3.92 0.00 1.74 -1.26 -4.94 116.66 114.52 1uwa n ARG 84 Ca 0.13 -1.79 -0.30 0.00 -0.77 0.00 0.00 57.85 55.12 1uwa n ARG 84 Cb 0.43 -1.05 -0.16 0.00 -1.02 0.00 0.00 32.46 30.66 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 -1.82 3.82 0.45 0.55 2.15 -1.26 -5.01 116.67 115.55 1uwa s ASP 85 Ca 0.15 -1.20 0.11 0.00 0.43 0.00 0.00 52.55 52.04 1uwa s ASP 85 Cb 0.13 -1.14 1.01 0.00 -0.30 0.00 0.00 42.92 42.62 1uwa s ASP 85 CO 0.01 -0.25 2.08 -0.65 -0.17 0.00 0.00 175.17 176.19 1uwa h PRO 86 N 7.97 0.31 -0.47 4.34 0.11 -1.94 -1.77 132.00 140.54 1uwa h PRO 86 Ca -0.17 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 1uwa h PRO 86 Cb 1.07 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1uwa h PRO 86 CO 0.41 0.23 0.19 0.52 -0.21 0.00 0.00 178.00 179.14 1uwa h MET 87 N 0.32 0.67 -0.76 1.05 2.86 -1.99 -1.32 114.93 115.76 1uwa h MET 87 Ca 0.08 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1uwa h MET 87 Cb 0.00 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1uwa h MET 87 CO -0.01 0.55 0.34 0.37 1.06 0.00 0.00 176.91 179.21 1uwa h GLN 88 N 0.66 1.11 -0.09 1.72 4.15 -1.75 -0.10 115.11 120.81 1uwa h GLN 88 Ca 0.16 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1uwa h GLN 88 Cb 0.13 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.63 1uwa h GLN 88 CO -0.02 0.88 -0.04 0.28 -1.93 0.00 0.00 178.83 178.01 1uwa h VAL 89 N 1.10 1.31 -0.92 2.39 2.07 -1.34 -2.32 116.25 118.53 1uwa h VAL 89 Ca 0.26 -1.02 0.09 0.00 0.82 0.00 0.00 66.70 66.85 1uwa h VAL 89 Cb 0.16 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 1uwa h VAL 89 CO -0.03 0.29 0.57 -0.07 0.02 0.00 0.00 177.57 178.35 1uwa h LEU 90 N -0.18 0.86 -1.11 2.57 3.38 -1.14 -1.51 115.31 118.19 1uwa h LEU 90 Ca 0.02 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1uwa h LEU 90 Cb 0.47 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1uwa h LEU 90 CO 0.01 0.51 0.18 0.03 0.09 0.00 0.00 178.44 179.26 1uwa h ARG 91 N 0.97 0.81 -0.18 1.13 3.08 -0.91 -2.07 114.38 117.22 1uwa h ARG 91 Ca 0.43 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 60.18 1uwa h ARG 91 Cb 0.31 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1uwa h ARG 91 CO -0.22 0.70 -0.54 0.93 -1.07 0.00 0.00 179.97 179.77 1uwa h GLU 92 N 0.79 0.53 -0.21 0.04 4.39 -0.78 -1.02 114.58 118.32 1uwa h GLU 92 Ca 0.18 -0.33 0.04 0.00 0.34 0.00 0.00 59.36 59.59 1uwa h GLU 92 Cb 0.22 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1uwa h GLU 92 CO -0.01 0.93 -0.03 0.82 -1.16 0.00 0.00 179.01 179.56 1uwa h ILE 93 N 0.41 0.82 -0.26 3.13 2.04 -1.07 0.16 117.51 122.73 1uwa h ILE 93 Ca 0.01 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1uwa h ILE 93 Cb 1.08 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1uwa h ILE 93 CO 0.10 0.00 0.07 0.58 0.00 0.00 0.00 178.15 178.90 1uwa h VAL 94 N 0.03 0.90 -0.72 1.67 2.07 -1.18 -1.19 116.25 117.82 1uwa h VAL 94 Ca 0.10 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1uwa h VAL 94 Cb 0.14 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1uwa h VAL 94 CO -0.19 0.03 0.30 0.00 0.02 0.00 0.00 177.57 177.73 1uwa h ALA 95 N 1.18 0.93 -0.08 1.67 0.00 -0.93 -1.40 119.26 120.64 1uwa h ALA 95 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1uwa h ALA 95 Cb 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1uwa h ALA 95 CO -0.14 0.54 -0.02 0.00 0.00 0.00 0.00 179.25 179.63 1uwa h THR 97 N -0.18 1.19 -0.42 0.00 1.35 -1.19 -1.34 112.91 112.32 1uwa h THR 97 Ca 0.02 -0.88 -0.09 0.00 -0.55 0.00 0.00 66.41 64.91 1uwa h THR 97 Cb 0.43 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1uwa h THR 97 CO 0.01 0.26 -0.09 0.50 -0.25 0.00 0.00 175.52 175.95 1uwa h LYS 98 N 0.13 0.80 -0.07 4.72 3.64 -1.18 -2.41 116.57 122.20 1uwa h LYS 98 Ca 0.02 -0.30 -0.15 0.00 -1.27 0.00 0.00 60.65 58.96 1uwa h LYS 98 Cb 0.44 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1uwa h LYS 98 CO 0.03 0.92 -0.61 0.00 -2.27 0.00 0.00 179.45 177.51 1uwa h ALA 99 N 0.86 0.83 -2.31 5.00 0.00 -1.11 -3.36 119.26 119.17 1uwa h ALA 99 Ca 0.11 -0.55 -0.59 0.00 0.00 0.00 0.00 54.91 53.88 1uwa h ALA 99 Cb 0.61 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 17.91 1uwa h ALA 99 CO 0.04 0.73 -0.74 1.19 0.00 0.00 0.00 179.25 180.47 1uwa n PHE 100 N -3.87 2.27 0.32 0.00 3.01 -0.53 -4.95 117.46 113.71 1uwa n PHE 100 Ca -0.02 -3.98 0.16 0.00 1.01 0.00 0.00 57.45 54.62 1uwa n PHE 100 Cb 0.62 -0.46 0.66 0.00 -0.01 0.00 0.00 39.48 40.30 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 4.44 0.00 -0.42 -1.08 0.13 -1.59 -2.90 132.00 130.58 1uwa h PRO 101 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1uwa h PRO 101 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1uwa h PRO 101 CO 0.69 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 1uwa n ASP 102 N -2.76 3.19 -4.97 1.44 8.00 -1.26 -4.70 116.55 115.50 1uwa n ASP 102 Ca 0.01 -1.94 -0.22 0.00 0.71 0.00 0.00 54.79 53.35 1uwa n ASP 102 Cb 0.25 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.07 3.93 0.15 2.24 0.00 -1.10 -4.46 121.76 121.45 1uwa s ALA 103 Ca 0.32 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 1uwa s ALA 103 Cb 0.17 -1.75 -0.07 0.00 0.00 0.00 0.00 23.12 21.48 1uwa s ALA 103 CO 0.23 0.26 1.00 0.71 0.00 0.00 0.00 175.76 177.96 1uwa s TYR 104 N -1.97 3.77 -0.05 0.00 1.51 0.33 -3.86 117.35 117.07 1uwa s TYR 104 Ca 0.34 1.75 0.02 0.00 -1.01 0.00 0.00 57.07 58.18 1uwa s TYR 104 Cb -0.09 -3.12 0.01 0.00 -0.11 0.00 0.00 41.96 38.65 1uwa s TYR 104 CO 0.29 -0.02 -0.11 0.08 -1.11 0.00 0.00 175.55 174.67 1uwa s VAL 105 N -0.27 1.04 0.02 0.71 1.01 -0.75 -1.18 120.40 120.99 1uwa s VAL 105 Ca 0.47 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1uwa s VAL 105 Cb -0.26 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1uwa s VAL 105 CO 0.32 0.33 -0.19 0.00 0.00 0.00 0.00 175.10 175.56 1uwa s ARG 106 N 0.54 1.35 -0.14 2.72 1.70 -0.06 -0.38 118.95 124.67 1uwa s ARG 106 Ca -0.11 -0.81 -0.14 0.00 -0.47 0.00 0.00 55.73 54.20 1uwa s ARG 106 Cb -0.14 -1.40 -0.05 0.00 -0.57 0.00 0.00 34.95 32.80 1uwa s ARG 106 CO 0.03 0.36 0.30 -1.17 -1.08 0.00 0.00 175.30 173.74 1uwa s LEU 107 N -0.91 4.28 0.29 -1.89 2.96 -0.54 -1.64 118.68 121.22 1uwa s LEU 107 Ca 0.06 0.56 0.05 0.00 -0.22 0.00 0.00 54.13 54.58 1uwa s LEU 107 Cb -0.08 -2.38 -0.06 0.00 0.50 0.00 0.00 46.19 44.17 1uwa s LEU 107 CO 0.01 0.14 -0.01 0.68 -1.32 0.00 0.00 176.35 175.85 1uwa s VAL 108 N 0.22 1.37 -0.01 1.68 -7.23 -0.05 -1.76 120.40 114.63 1uwa s VAL 108 Ca 0.17 -2.06 -0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1uwa s VAL 108 Cb -0.13 -2.54 -0.00 0.00 0.56 0.00 0.00 36.38 34.26 1uwa s VAL 108 CO 0.05 -0.21 0.04 0.00 -0.31 0.00 0.00 175.10 174.67 1uwa s ALA 109 N -3.19 -0.09 -0.02 1.32 0.00 -1.02 -1.18 121.76 117.58 1uwa s ALA 109 Ca 0.31 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.19 1uwa s ALA 109 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1uwa s ALA 109 CO 0.12 -0.09 -0.04 -0.06 0.00 0.00 0.00 175.76 175.69 1uwa s PHE 110 N -0.62 2.98 -0.25 0.00 0.08 0.47 -0.65 117.98 119.99 1uwa s PHE 110 Ca -0.07 0.03 -0.08 0.00 0.12 0.00 0.00 56.93 56.93 1uwa s PHE 110 Cb -0.04 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 1uwa s PHE 110 CO -0.00 0.40 0.10 0.34 -0.10 0.00 0.00 175.22 175.96 1uwa s ASP 111 N -1.32 5.36 0.00 1.36 -1.08 -0.60 -0.38 116.67 120.02 1uwa s ASP 111 Ca 0.17 -0.15 0.27 0.00 -0.52 0.00 0.00 52.55 52.32 1uwa s ASP 111 Cb -0.11 -1.97 0.89 0.00 -1.46 0.00 0.00 42.92 40.27 1uwa s ASP 111 CO 0.07 -0.03 1.68 -0.46 0.52 0.00 0.00 175.17 176.95 1uwa n ASN 112 N 4.87 0.27 0.03 -0.34 6.94 -1.26 -1.41 115.26 124.37 1uwa n ASN 112 Ca -0.16 0.07 -0.19 0.00 -0.02 0.00 0.00 54.58 54.28 1uwa n ASN 112 Cb 0.52 -0.12 -0.14 0.00 -2.36 0.00 0.00 39.78 37.67 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 0.04 0.26 0.00 -3.83 1.08 -1.96 -3.29 115.11 107.42 1uwa h GLN 113 Ca 0.00 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1uwa h GLN 113 Cb 0.49 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1uwa h GLN 113 CO 0.00 1.21 -0.27 0.87 -0.95 0.00 0.00 178.83 179.70 1uwa h LYS 114 N -0.45 0.00 -6.28 1.46 1.57 -2.01 -3.48 116.57 107.37 1uwa h LYS 114 Ca -0.13 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.26 1uwa h LYS 114 Cb 1.56 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.92 1uwa h LYS 114 CO 0.13 0.00 -0.82 0.94 -0.57 0.00 0.00 179.45 179.13 1uwa n GLN 115 N -2.26 -1.22 -3.64 3.15 7.27 -0.50 -5.03 117.38 115.14 1uwa n GLN 115 Ca 0.04 0.68 -0.16 0.00 0.07 0.00 0.00 57.00 57.64 1uwa n GLN 115 Cb 0.44 -3.78 -0.07 0.00 2.41 0.00 0.00 30.24 29.23 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 -3.27 0.03 0.20 1.69 0.11 -0.96 -5.02 120.40 113.18 1uwa s VAL 116 Ca 0.28 -0.23 -0.31 0.00 -2.93 0.00 0.00 61.98 58.79 1uwa s VAL 116 Cb -0.11 -0.81 -0.10 0.00 -1.53 0.00 0.00 36.38 33.84 1uwa s VAL 116 CO 0.86 -0.13 1.49 -1.58 -3.33 0.00 0.00 175.10 172.41 1uwa s GLN 117 N -1.21 4.25 -0.00 1.54 0.74 -1.26 -1.55 119.66 122.16 1uwa s GLN 117 Ca -0.12 2.30 0.06 0.00 0.05 0.00 0.00 55.36 57.65 1uwa s GLN 117 Cb -0.03 -3.14 -0.07 0.00 1.10 0.00 0.00 33.01 30.87 1uwa s GLN 117 CO 0.07 -0.50 0.21 1.51 -0.55 0.00 0.00 175.29 176.03 1uwa n ILE 118 N 3.13 0.00 -3.61 -2.34 0.13 0.18 -4.91 119.36 111.94 1uwa n ILE 118 Ca 0.10 -0.30 -0.11 0.00 -1.10 0.00 0.00 62.75 61.35 1uwa n ILE 118 Cb 0.40 0.81 -0.04 0.00 -0.84 0.00 0.00 39.64 39.97 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 -1.80 1.19 0.00 9.51 -2.45 -1.20 -4.98 119.30 119.56 1uwa s MET 119 Ca 0.01 -0.70 0.00 0.00 -1.25 0.00 0.00 55.69 53.75 1uwa s MET 119 Cb 0.04 0.51 0.00 0.00 1.25 0.00 0.00 34.83 36.63 1uwa s MET 119 CO 0.24 -0.49 0.00 0.41 1.05 0.00 0.00 175.02 176.23 1uwa n GLY 120 N -0.28 1.39 3.48 2.11 0.00 -1.26 -2.43 105.19 108.19 1uwa n GLY 120 Ca -0.15 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.48 -0.60 0.22 1.61 -0.71 -0.72 -4.42 117.98 112.88 1uwa s PHE 121 Ca 0.00 0.77 -0.30 0.00 -1.04 0.00 0.00 56.93 56.36 1uwa s PHE 121 Cb 0.00 0.48 -0.09 0.00 -1.21 0.00 0.00 43.02 42.20 1uwa s PHE 121 CO 0.00 -0.71 1.30 -1.17 -1.34 0.00 0.00 175.22 173.30 1uwa s LEU 122 N -1.89 4.42 -0.00 -1.99 2.96 -1.26 -1.47 118.68 119.45 1uwa s LEU 122 Ca -0.06 2.44 0.05 0.00 -0.22 0.00 0.00 54.13 56.34 1uwa s LEU 122 Cb -0.00 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 43.01 1uwa s LEU 122 CO -0.00 -0.52 0.18 1.33 -1.32 0.00 0.00 176.35 176.02 1uwa n VAL 123 N 2.35 0.00 -3.72 1.68 0.24 0.49 -4.88 118.33 114.49 1uwa n VAL 123 Ca 0.05 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1uwa n VAL 123 Cb 0.43 0.77 -0.09 0.00 -1.47 0.00 0.00 33.84 33.47 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 -1.80 0.55 0.07 7.34 0.74 -0.89 -4.96 119.66 120.71 1uwa s GLN 124 Ca 0.01 0.53 0.07 0.00 0.05 0.00 0.00 55.36 56.02 1uwa s GLN 124 Cb 0.04 0.27 -0.03 0.00 1.10 0.00 0.00 33.01 34.38 1uwa s GLN 124 CO 0.21 -0.08 -0.20 -0.98 -0.55 0.00 0.00 175.29 173.69 1uwa s ARG 125 N 0.04 1.19 0.44 1.67 1.70 -1.26 -1.81 118.95 120.93 1uwa s ARG 125 Ca -0.02 -1.03 -0.25 0.00 -0.47 0.00 0.00 55.73 53.97 1uwa s ARG 125 Cb -0.03 -1.37 -0.09 0.00 -0.57 0.00 0.00 34.95 32.89 1uwa s ARG 125 CO 0.01 0.33 1.32 -0.35 -1.08 0.00 0.00 175.30 175.54 1uwa n PRO 126 N 1.47 1.99 0.29 3.89 -0.04 -1.25 -4.88 135.00 136.46 1uwa n PRO 126 Ca -0.19 0.71 0.16 0.00 -0.04 0.00 0.00 63.50 64.15 1uwa n PRO 126 Cb 0.54 -2.47 0.85 0.00 -0.04 0.00 0.00 33.50 32.38 1uwa n PRO 126 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1uwa h LYS 127 N 2.06 0.00 -0.03 0.54 -0.00 -1.90 -2.13 116.57 115.12 1uwa h LYS 127 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.16 1uwa h LYS 127 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.52 1uwa h LYS 127 CO 0.60 0.06 0.00 -1.13 -0.00 0.00 0.00 179.45 178.98 1uwa n SER 128 N -3.37 0.82 -4.70 7.07 3.41 -1.26 -4.89 113.62 110.70 1uwa n SER 128 Ca -0.02 -1.34 -0.42 0.00 -0.26 0.00 0.00 58.87 56.84 1uwa n SER 128 Cb 0.21 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.97 3.60 -0.12 7.33 0.00 -0.80 -4.90 121.76 124.90 1uwa s ALA 129 Ca 0.40 1.02 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1uwa s ALA 129 Cb 0.20 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.76 1uwa s ALA 129 CO 0.33 -0.83 0.93 0.54 0.00 0.00 0.00 175.76 176.72 1uwa n ARG 130 N 4.89 2.22 -0.76 0.00 5.12 -1.26 -4.79 116.66 122.08 1uwa n ARG 130 Ca 0.13 -1.36 0.08 0.00 -1.93 0.00 0.00 57.85 54.76 1uwa n ARG 130 Cb 0.43 -1.03 0.37 0.00 -1.16 0.00 0.00 32.46 31.07 1uwa n ARG 130 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1uwa n ASP 131 N -0.29 5.20 -4.05 0.55 3.85 -1.26 -4.87 116.55 115.67 1uwa n ASP 131 Ca 0.01 -2.70 -0.10 0.00 -0.71 0.00 0.00 54.79 51.28 1uwa n ASP 131 Cb 0.22 -0.64 -0.11 0.00 -1.35 0.00 0.00 41.12 39.25 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 -2.34 0.53 0.02 2.11 1.48 -0.96 -1.20 118.94 118.58 1uwa s TRP 132 Ca 0.51 -0.65 0.02 0.00 -1.06 0.00 0.00 56.10 54.92 1uwa s TRP 132 Cb 0.37 -0.34 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 1uwa s TRP 132 CO 0.19 -0.17 0.01 -0.65 -4.06 0.00 0.00 176.95 172.26 1uwa s GLN 133 N -2.20 2.76 0.66 3.25 -1.52 -1.09 -4.82 119.66 116.69 1uwa s GLN 133 Ca -0.07 -0.65 -0.17 0.00 -1.95 0.00 0.00 55.36 52.53 1uwa s GLN 133 Cb -0.05 -2.65 -0.00 0.00 -0.22 0.00 0.00 33.01 30.08 1uwa s GLN 133 CO -0.02 0.61 1.22 -1.25 -0.25 0.00 0.00 175.29 175.60 1uwa s PRO 134 N -1.72 2.56 0.29 2.91 0.04 -1.26 -4.87 135.00 132.94 1uwa s PRO 134 Ca 0.21 1.83 0.02 0.00 0.04 0.00 0.00 61.00 63.10 1uwa s PRO 134 Cb -0.12 -1.88 0.70 0.00 0.04 0.00 0.00 34.50 33.25 1uwa s PRO 134 CO 0.12 -1.53 1.65 0.00 0.04 0.00 0.00 177.00 177.28 1uwa h ALA 135 N 0.33 1.28 0.00 8.56 0.00 -1.97 -0.72 119.26 126.74 1uwa h ALA 135 Ca -0.49 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1uwa h ALA 135 Cb 1.30 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1uwa h ALA 135 CO 0.53 -0.45 0.00 0.27 0.00 0.00 0.00 179.25 179.59 1uwa n ASN 136 N -5.21 0.00 -0.32 0.00 6.94 -1.26 -3.00 115.26 112.41 1uwa n ASN 136 Ca 0.21 -0.52 0.04 0.00 -0.02 0.00 0.00 54.58 54.29 1uwa n ASN 136 Cb 0.67 -0.14 0.10 0.00 -2.36 0.00 0.00 39.78 38.04 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 -1.14 2.76 0.16 -3.83 5.02 -0.29 -4.64 118.16 116.20 1uwa n LYS 137 Ca 0.18 -1.95 0.03 0.00 -2.02 0.00 0.00 58.31 54.55 1uwa n LYS 137 Cb 0.17 -1.23 0.20 0.00 -0.02 0.00 0.00 35.03 34.14 1uwa n LYS 137 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uwa h ARG 138 N 0.90 0.00 -5.61 1.97 3.08 -1.43 -3.45 114.38 109.84 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 0.73 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.58 1uwa h ARG 138 CO 0.02 0.50 -0.78 -1.54 -1.07 0.00 0.00 179.97 177.10 1uwa s SER 139 N -6.52 2.08 0.00 7.04 1.04 -1.26 -1.06 113.70 115.01 1uwa s SER 139 Ca 0.01 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1uwa s SER 139 Cb 0.10 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1uwa s SER 139 CO 0.72 -0.07 0.19 1.33 0.98 0.00 0.00 173.24 176.39