#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yug s SER 2 N 0.00 6.78 0.09 1.61 0.01 -1.26 -5.08 113.70 115.86 2yug s SER 2 Ca 0.00 0.93 0.09 0.00 1.31 0.00 0.00 55.95 58.29 2yug s SER 2 Cb 0.00 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 2yug s SER 2 CO 0.00 0.02 -0.25 -0.94 0.41 0.00 0.00 173.24 172.49 2yug s SER 3 N 0.41 2.99 -0.39 2.44 1.04 -1.26 -5.08 113.70 113.86 2yug s SER 3 Ca 0.28 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2yug s SER 3 Cb -0.16 -0.21 0.25 0.00 0.10 0.00 0.00 66.02 66.00 2yug s SER 3 CO 0.13 0.17 1.10 0.61 0.98 0.00 0.00 173.24 176.22 2yug n GLY 4 N 1.27 -1.15 0.06 7.32 0.00 -1.26 -5.01 105.19 106.42 2yug n GLY 4 Ca -0.18 0.74 -0.06 0.00 0.00 0.00 0.00 46.02 46.52 2yug n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yug n SER 5 N 1.72 2.35 -1.39 1.61 2.88 -1.26 -5.12 113.62 114.41 2yug n SER 5 Ca 0.05 -0.01 0.17 0.00 -1.33 0.00 0.00 58.87 57.76 2yug n SER 5 Cb 0.67 0.68 -0.09 0.00 -0.75 0.00 0.00 64.21 64.73 2yug n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yug n SER 6 N -2.45 -7.66 0.00 -3.46 2.88 -1.26 -5.05 113.62 96.62 2yug n SER 6 Ca -0.18 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 2yug n SER 6 Cb 0.85 -4.75 0.00 0.00 -0.75 0.00 0.00 64.21 59.56 2yug n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yug n GLY 7 N -4.26 0.36 2.94 0.46 0.00 -1.26 -5.15 105.19 98.27 2yug n GLY 7 Ca -0.08 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 2yug n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yug s LEU 8 N 0.00 -0.04 -0.22 0.99 2.96 -1.26 -5.07 118.68 116.04 2yug s LEU 8 Ca 0.00 0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 54.27 2yug s LEU 8 Cb 0.00 0.50 -0.05 0.00 0.50 0.00 0.00 46.19 47.15 2yug s LEU 8 CO 0.00 -0.23 0.13 -1.81 -1.32 0.00 0.00 176.35 173.12 2yug s ASP 9 N 2.13 5.96 -0.10 3.68 1.01 -1.26 -5.01 116.67 123.08 2yug s ASP 9 Ca -0.00 0.10 0.01 0.00 0.71 0.00 0.00 52.55 53.37 2yug s ASP 9 Cb -0.12 -2.06 0.02 0.00 1.01 0.00 0.00 42.92 41.77 2yug s ASP 9 CO -0.07 0.10 -0.10 -0.51 0.21 0.00 0.00 175.17 174.79 2yug s ILE 10 N 0.86 1.15 -0.29 0.77 2.07 -1.26 -2.35 121.20 122.15 2yug s ILE 10 Ca 0.07 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 58.92 2yug s ILE 10 Cb -0.13 -1.11 0.08 0.00 0.13 0.00 0.00 42.46 41.44 2yug s ILE 10 CO 0.03 0.38 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.73 2yug s VAL 11 N 1.26 1.96 0.00 4.00 1.01 0.15 -4.94 120.40 123.84 2yug s VAL 11 Ca -0.03 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.12 2yug s VAL 11 Cb -0.14 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2yug s VAL 11 CO -0.04 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.32 2yug n GLY 12 N 4.44 0.83 1.36 4.51 0.00 -1.26 -1.74 105.19 113.33 2yug n GLY 12 Ca -0.05 0.42 0.01 0.00 0.00 0.00 0.00 46.02 46.40 2yug n GLY 12 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2yug n ILE 13 N 0.00 0.00 -3.99 -0.61 -5.35 -1.26 -5.07 119.36 103.07 2yug n ILE 13 Ca 0.00 -0.71 -0.24 0.00 -0.27 0.00 0.00 62.75 61.53 2yug n ILE 13 Cb 0.00 0.85 -0.17 0.00 -1.74 0.00 0.00 39.64 38.58 2yug n ILE 13 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 2yug s TRP 14 N -0.00 1.06 -0.01 4.28 0.52 -0.71 -4.29 118.94 119.79 2yug s TRP 14 Ca 0.24 -0.42 0.07 0.00 0.02 0.00 0.00 56.10 56.01 2yug s TRP 14 Cb 0.28 -0.95 -0.02 0.00 -1.15 0.00 0.00 33.47 31.63 2yug s TRP 14 CO -0.12 -0.36 -0.21 1.67 0.02 0.00 0.00 176.95 177.95 2yug s TRP 15 N 1.51 1.85 0.32 -1.98 1.48 0.17 -0.67 118.94 121.61 2yug s TRP 15 Ca -0.01 -0.35 -0.28 0.00 -1.06 0.00 0.00 56.10 54.40 2yug s TRP 15 Cb -0.13 -1.17 -0.09 0.00 -1.16 0.00 0.00 33.47 30.91 2yug s TRP 15 CO -0.04 -0.01 1.09 0.99 -4.06 0.00 0.00 176.95 174.92 2yug s THR 16 N -0.53 3.53 0.84 0.66 2.01 -0.99 0.47 115.64 121.63 2yug s THR 16 Ca 0.08 1.42 -0.11 0.00 0.31 0.00 0.00 61.69 63.39 2yug s THR 16 Cb -0.08 -3.86 0.13 0.00 0.01 0.00 0.00 72.50 68.70 2yug s THR 16 CO -0.00 0.25 1.19 0.68 -0.69 0.00 0.00 174.62 176.04 2yug s VAL 17 N -1.31 2.07 0.00 3.82 -7.23 -1.20 -4.79 120.40 111.74 2yug s VAL 17 Ca 0.49 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 2yug s VAL 17 Cb -0.29 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.69 2yug s VAL 17 CO 0.37 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.96 2yug n SER 18 N -3.37 1.33 -4.41 4.85 7.64 -1.26 -5.05 113.62 113.35 2yug n SER 18 Ca 0.11 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.79 2yug n SER 18 Cb 0.60 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.70 2yug n SER 18 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2yug s ASN 19 N -4.32 2.34 0.35 6.43 4.22 -1.26 -5.01 114.94 117.69 2yug s ASN 19 Ca 0.00 -1.27 0.03 0.00 -2.14 0.00 0.00 52.86 49.48 2yug s ASN 19 Cb 0.00 -0.09 0.63 0.00 1.28 0.00 0.00 41.25 43.07 2yug s ASN 19 CO 0.00 -0.49 1.96 0.15 -2.04 0.00 0.00 177.10 176.67 2yug h PHE 20 N 2.27 0.69 -0.20 1.54 3.57 -1.97 -1.92 116.94 120.92 2yug h PHE 20 Ca -0.40 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.14 2yug h PHE 20 Cb 1.23 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2yug h PHE 20 CO 0.61 0.51 0.21 0.78 -2.23 0.00 0.00 178.31 178.19 2yug h GLY 21 N 0.81 0.00 1.09 2.40 0.00 -2.03 -0.60 103.07 104.74 2yug h GLY 21 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.27 2yug h GLY 21 CO -0.02 0.00 -1.52 0.83 0.00 0.00 0.00 176.54 175.83 2yug h GLU 22 N 0.00 0.00 -6.06 4.80 4.39 -1.77 -3.45 114.58 112.49 2yug h GLU 22 Ca 0.09 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.24 2yug h GLU 22 Cb 0.50 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2yug h GLU 22 CO -0.00 0.46 1.39 0.42 -1.16 0.00 0.00 179.01 180.12 2yug s ILE 23 N -2.73 3.28 -0.25 3.13 1.01 -0.24 -4.90 121.20 120.51 2yug s ILE 23 Ca -0.03 0.26 -0.27 0.00 0.00 0.00 0.00 60.65 60.60 2yug s ILE 23 Cb 0.08 -3.46 0.15 0.00 0.01 0.00 0.00 42.46 39.24 2yug s ILE 23 CO 0.82 -0.35 1.17 -0.55 0.00 0.00 0.00 174.94 176.03 2yug s SER 24 N 7.85 -0.27 0.00 3.58 0.15 -1.26 -4.85 113.70 118.90 2yug s SER 24 Ca 0.85 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2yug s SER 24 Cb -0.22 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2yug s SER 24 CO 0.30 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.20 2yug n GLY 25 N 1.34 -0.05 3.59 9.45 0.00 -1.24 -4.81 105.19 113.47 2yug n GLY 25 Ca -0.09 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 2yug n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yug s THR 26 N 0.00 4.69 -0.01 2.61 2.01 -1.26 -0.49 115.64 123.18 2yug s THR 26 Ca 0.00 0.99 0.04 0.00 0.31 0.00 0.00 61.69 63.03 2yug s THR 26 Cb 0.00 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.25 2yug s THR 26 CO 0.00 -0.46 -0.14 0.27 -0.69 0.00 0.00 174.62 173.60 2yug s ILE 27 N 3.21 1.13 0.14 1.82 -4.36 -0.54 -2.86 121.20 119.74 2yug s ILE 27 Ca 0.33 -0.60 0.02 0.00 -0.26 0.00 0.00 60.65 60.15 2yug s ILE 27 Cb -0.13 -0.94 -0.04 0.00 1.25 0.00 0.00 42.46 42.60 2yug s ILE 27 CO 0.17 0.32 0.27 0.00 0.24 0.00 0.00 174.94 175.94 2yug s ALA 28 N -0.29 3.95 -0.06 2.27 0.00 0.25 -3.34 121.76 124.54 2yug s ALA 28 Ca 0.05 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2yug s ALA 28 Cb -0.06 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.31 2yug s ALA 28 CO -0.00 0.56 -0.13 0.42 0.00 0.00 0.00 175.76 176.60 2yug s ILE 29 N -1.73 1.18 -0.24 0.00 1.09 -1.26 0.46 121.20 120.70 2yug s ILE 29 Ca 0.34 -0.51 -0.01 0.00 -1.10 0.00 0.00 60.65 59.37 2yug s ILE 29 Cb -0.11 -1.07 0.02 0.00 -1.06 0.00 0.00 42.46 40.25 2yug s ILE 29 CO 0.28 0.36 -0.08 -0.70 -0.10 0.00 0.00 174.94 174.70 2yug s GLU 30 N 0.60 2.86 -0.11 2.79 2.12 -1.08 -3.82 118.70 122.07 2yug s GLU 30 Ca -0.14 -0.95 -0.04 0.00 0.36 0.00 0.00 54.97 54.20 2yug s GLU 30 Cb -0.15 -2.92 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 2yug s GLU 30 CO 0.04 -0.37 -0.07 0.52 -0.54 0.00 0.00 175.26 174.84 2yug h MET 31 N 7.99 0.00 -7.30 4.30 2.86 -1.89 -2.75 114.93 118.15 2yug h MET 31 Ca -0.34 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 56.84 2yug h MET 31 Cb 1.11 0.00 0.10 0.00 0.06 0.00 0.00 31.60 32.87 2yug h MET 31 CO 0.58 0.00 0.19 -0.51 1.06 0.00 0.00 176.91 178.23 2yug s ASP 32 N -5.42 4.20 -1.23 1.22 1.01 -1.11 -4.85 116.67 110.48 2yug s ASP 32 Ca -0.06 -0.05 -0.20 0.00 0.71 0.00 0.00 52.55 52.95 2yug s ASP 32 Cb 0.01 -0.34 0.01 0.00 1.01 0.00 0.00 42.92 43.61 2yug s ASP 32 CO 0.09 -1.97 1.80 -0.54 0.21 0.00 0.00 175.17 174.75 2yug s LYS 33 N -5.31 3.39 0.00 8.23 3.01 -1.26 -3.53 119.74 124.27 2yug s LYS 33 Ca 0.66 -1.60 0.00 0.00 -1.01 0.00 0.00 55.97 54.02 2yug s LYS 33 Cb -0.06 -5.41 0.00 0.00 -1.01 0.00 0.00 37.83 31.35 2yug s LYS 33 CO 0.46 -2.91 0.00 0.41 0.51 0.00 0.00 175.35 173.82 2yug n GLY 34 N 5.68 1.62 3.74 -3.33 0.00 -1.26 -5.05 105.19 106.60 2yug n GLY 34 Ca 0.46 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2yug n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yug s ALA 35 N -1.33 3.38 0.52 4.61 0.00 -1.23 -4.03 121.76 123.68 2yug s ALA 35 Ca 0.00 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.25 2yug s ALA 35 Cb 0.00 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.18 2yug s ALA 35 CO 0.00 0.06 0.32 0.71 0.00 0.00 0.00 175.76 176.85 2yug s TYR 36 N -0.00 1.84 -0.20 0.00 1.51 -1.25 -2.76 117.35 116.48 2yug s TYR 36 Ca 0.38 -0.81 -0.29 0.00 -1.01 0.00 0.00 57.07 55.34 2yug s TYR 36 Cb -0.20 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 2yug s TYR 36 CO 0.22 -0.27 1.03 0.42 -1.11 0.00 0.00 175.55 175.84 2yug s ILE 37 N -2.75 4.70 -0.14 2.71 1.01 -1.25 -0.27 121.20 125.22 2yug s ILE 37 Ca 0.32 2.03 -0.05 0.00 0.00 0.00 0.00 60.65 62.95 2yug s ILE 37 Cb -0.01 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2yug s ILE 37 CO 0.19 -0.13 0.03 -2.28 0.00 0.00 0.00 174.94 172.74 2yug s HIS 38 N 2.90 3.19 0.06 3.97 2.46 0.12 -4.19 115.29 123.81 2yug s HIS 38 Ca 0.45 0.05 -0.24 0.00 0.47 0.00 0.00 55.06 55.79 2yug s HIS 38 Cb -0.16 -1.96 -0.06 0.00 -0.13 0.00 0.00 32.58 30.28 2yug s HIS 38 CO 0.09 0.24 0.75 0.00 -2.47 0.00 0.00 174.74 173.35 2yug s ALA 39 N -0.09 3.39 0.59 1.58 0.00 -1.26 -1.79 121.76 124.18 2yug s ALA 39 Ca 0.05 0.26 0.10 0.00 0.00 0.00 0.00 51.96 52.37 2yug s ALA 39 Cb -0.12 -2.96 0.09 0.00 0.00 0.00 0.00 23.12 20.13 2yug s ALA 39 CO 0.02 0.11 0.80 -0.51 0.00 0.00 0.00 175.76 176.18 2yug s LEU 40 N -0.22 3.05 -0.00 0.00 1.43 -0.52 -4.92 118.68 117.50 2yug s LEU 40 Ca 0.37 -0.89 0.15 0.00 -1.03 0.00 0.00 54.13 52.73 2yug s LEU 40 Cb -0.21 -1.54 -0.17 0.00 0.03 0.00 0.00 46.19 44.31 2yug s LEU 40 CO 0.23 -1.39 0.65 -0.90 0.23 0.00 0.00 176.35 175.17 2yug n ASP 41 N -2.27 0.73 -2.05 2.29 5.68 -1.26 -4.42 116.55 115.26 2yug n ASP 41 Ca 0.16 -0.85 -0.20 0.00 -0.50 0.00 0.00 54.79 53.40 2yug n ASP 41 Cb 0.62 1.01 0.15 0.00 -1.14 0.00 0.00 41.12 41.76 2yug n ASP 41 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2yug n ASN 42 N -1.37 3.65 -2.12 -1.12 0.23 -1.26 -4.86 115.26 108.40 2yug n ASN 42 Ca 0.03 -3.37 -0.16 0.00 -0.53 0.00 0.00 54.58 50.55 2yug n ASN 42 Cb 0.24 -0.79 0.02 0.00 -2.08 0.00 0.00 39.78 37.17 2yug n ASN 42 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2yug n GLY 43 N -0.90 -0.20 3.43 4.83 0.00 -1.26 -5.01 105.19 106.08 2yug n GLY 43 Ca 0.51 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 2yug n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yug s LEU 44 N -4.81 1.90 -0.21 0.99 1.43 -1.26 -4.01 118.68 112.71 2yug s LEU 44 Ca 0.17 -1.76 -0.04 0.00 -1.03 0.00 0.00 54.13 51.47 2yug s LEU 44 Cb -0.08 0.20 0.10 0.00 0.03 0.00 0.00 46.19 46.45 2yug s LEU 44 CO 0.21 -1.03 0.27 -0.36 0.23 0.00 0.00 176.35 175.67 2yug s PHE 45 N -3.26 -0.44 0.49 0.29 0.40 -1.26 -1.44 117.98 112.75 2yug s PHE 45 Ca 0.29 0.46 0.08 0.00 -0.60 0.00 0.00 56.93 57.17 2yug s PHE 45 Cb 0.02 -0.22 0.03 0.00 0.51 0.00 0.00 43.02 43.35 2yug s PHE 45 CO 0.21 -0.61 0.54 -0.08 0.70 0.00 0.00 175.22 175.97 2yug s THR 46 N 2.40 2.37 -0.44 0.64 -1.32 -0.74 -3.72 115.64 114.82 2yug s THR 46 Ca 0.08 -1.21 -0.29 0.00 -1.21 0.00 0.00 61.69 59.06 2yug s THR 46 Cb -0.15 -2.58 0.03 0.00 -1.51 0.00 0.00 72.50 68.29 2yug s THR 46 CO -0.13 0.00 1.11 -0.22 -2.21 0.00 0.00 174.62 173.17 2yug s LEU 47 N -4.36 3.73 0.67 9.08 2.96 -1.26 -0.70 118.68 128.80 2yug s LEU 47 Ca 0.50 0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 54.81 2yug s LEU 47 Cb -0.05 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.12 2yug s LEU 47 CO 0.31 -1.15 1.27 -0.83 -1.32 0.00 0.00 176.35 174.63 2yug s GLY 48 N 2.26 2.75 0.34 7.98 0.00 0.63 -4.82 107.32 116.47 2yug s GLY 48 Ca 0.46 1.14 -0.29 0.00 0.00 0.00 0.00 44.72 46.04 2yug s GLY 48 CO 0.28 1.57 1.55 0.00 0.00 0.00 0.00 173.10 176.50 2yug n ALA 49 N -2.09 2.52 -2.25 3.20 0.00 -1.26 -3.96 120.51 116.68 2yug n ALA 49 Ca 0.15 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.53 2yug n ALA 49 Cb 0.49 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 2yug n ALA 49 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2yug s PRO 50 N -1.33 4.33 1.20 0.00 0.04 -1.26 -4.69 135.00 133.29 2yug s PRO 50 Ca 0.58 1.97 -0.13 0.00 0.04 0.00 0.00 61.00 63.46 2yug s PRO 50 Cb -0.48 -3.38 0.30 0.00 0.04 0.00 0.00 34.50 30.99 2yug s PRO 50 CO 0.56 -0.44 1.01 -1.01 0.04 0.00 0.00 177.00 177.17 2yug s HIS 51 N 1.53 1.26 -0.22 0.56 3.76 -1.26 -4.98 115.29 115.94 2yug s HIS 51 Ca 0.63 1.15 0.00 0.00 -0.15 0.00 0.00 55.06 56.69 2yug s HIS 51 Cb -0.33 -3.07 -0.14 0.00 1.11 0.00 0.00 32.58 30.15 2yug s HIS 51 CO 0.29 -4.05 -0.21 2.89 -0.85 0.00 0.00 174.74 172.81 2yug n ARG 52 N -5.05 0.55 -2.70 1.40 1.85 -1.26 -4.95 116.66 106.50 2yug n ARG 52 Ca 0.02 0.14 -0.42 0.00 -1.00 0.00 0.00 57.85 56.59 2yug n ARG 52 Cb 0.54 -1.43 -0.03 0.00 -1.05 0.00 0.00 32.46 30.49 2yug n ARG 52 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2yug s GLU 53 N -2.44 4.58 0.22 2.89 0.41 -1.26 -4.95 118.70 118.15 2yug s GLU 53 Ca -0.30 1.44 -0.09 0.00 -0.41 0.00 0.00 54.97 55.61 2yug s GLU 53 Cb 0.08 -3.44 0.19 0.00 -1.78 0.00 0.00 34.13 29.19 2yug s GLU 53 CO 0.50 -0.01 1.90 0.28 -0.49 0.00 0.00 175.26 177.43 2yug h VAL 54 N 4.65 1.21 -3.07 2.63 2.07 -2.04 -3.23 116.25 118.47 2yug h VAL 54 Ca -0.41 -0.39 -0.81 0.00 0.82 0.00 0.00 66.70 65.91 2yug h VAL 54 Cb 1.22 -0.03 -0.28 0.00 -1.52 0.00 0.00 31.29 30.68 2yug h VAL 54 CO 0.75 0.21 0.72 0.47 0.02 0.00 0.00 177.57 179.73 2yug n ASP 55 N -4.50 6.14 -4.29 0.57 9.92 -1.26 -4.99 116.55 118.14 2yug n ASP 55 Ca 0.09 -3.30 -0.19 0.00 -0.53 0.00 0.00 54.79 50.86 2yug n ASP 55 Cb 0.02 -1.31 -0.11 0.00 -0.64 0.00 0.00 41.12 39.08 2yug n ASP 55 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2yug s GLU 56 N -2.27 1.17 0.25 -1.24 2.56 -1.22 -4.97 118.70 112.98 2yug s GLU 56 Ca 0.31 -1.37 0.01 0.00 0.00 0.00 0.00 54.97 53.92 2yug s GLU 56 Cb 0.01 -1.09 -0.04 0.00 2.00 0.00 0.00 34.13 35.01 2yug s GLU 56 CO 0.05 0.21 0.43 0.20 -0.56 0.00 0.00 175.26 175.59 2yug s GLY 57 N -2.71 1.52 0.61 -1.50 0.00 -1.26 -5.05 107.32 98.93 2yug s GLY 57 Ca 0.14 -0.95 -0.17 0.00 0.00 0.00 0.00 44.72 43.74 2yug s GLY 57 CO 0.05 -0.91 1.13 2.56 0.00 0.00 0.00 173.10 175.93 2yug s PRO 58 N -3.77 3.01 1.02 2.90 0.04 -1.26 -5.03 135.00 131.92 2yug s PRO 58 Ca 0.38 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 2yug s PRO 58 Cb -0.10 -1.96 0.20 0.00 0.04 0.00 0.00 34.50 32.67 2yug s PRO 58 CO 0.31 -1.11 1.08 -1.12 0.04 0.00 0.00 177.00 176.20 2yug s SER 59 N -2.11 2.39 0.17 6.66 0.01 -1.26 -4.75 113.70 114.80 2yug s SER 59 Ca 0.71 1.30 -0.15 0.00 1.31 0.00 0.00 55.95 59.12 2yug s SER 59 Cb -0.23 -1.98 0.12 0.00 0.21 0.00 0.00 66.02 64.13 2yug s SER 59 CO 0.35 -3.29 1.73 -0.65 0.41 0.00 0.00 173.24 171.78 2yug h PRO 60 N -2.00 0.21 0.00 12.44 0.11 -1.95 -1.65 132.00 139.16 2yug h PRO 60 Ca -0.55 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.43 2yug h PRO 60 Cb 1.32 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 2yug h PRO 60 CO 0.56 0.14 -0.54 -1.00 -0.21 0.00 0.00 178.00 176.94 2yug h PRO 61 N 0.22 0.00 -0.07 1.05 0.13 -1.92 -3.18 132.00 128.23 2yug h PRO 61 Ca 0.20 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.23 2yug h PRO 61 Cb 0.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 2yug h PRO 61 CO -0.26 0.54 -0.43 0.93 -0.23 0.00 0.00 178.00 178.55 2yug h GLU 62 N 0.00 0.16 -6.30 0.86 5.08 -1.59 -3.29 114.58 109.49 2yug h GLU 62 Ca -0.01 -0.08 -0.55 0.00 -1.00 0.00 0.00 59.36 57.73 2yug h GLU 62 Cb 1.21 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2yug h GLU 62 CO 0.07 0.56 0.84 -0.65 -1.00 0.00 0.00 179.01 178.84 2yug s GLN 63 N -4.08 4.28 0.09 2.33 -0.21 -0.67 -4.67 119.66 116.72 2yug s GLN 63 Ca -0.04 1.85 0.06 0.00 0.02 0.00 0.00 55.36 57.26 2yug s GLN 63 Cb 0.13 -3.65 -0.04 0.00 1.00 0.00 0.00 33.01 30.45 2yug s GLN 63 CO 0.76 -0.60 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.18 2yug s PHE 64 N 2.76 2.78 -0.25 0.91 0.08 -1.21 -3.32 117.98 119.73 2yug s PHE 64 Ca 0.61 -0.13 -0.07 0.00 0.12 0.00 0.00 56.93 57.46 2yug s PHE 64 Cb -0.28 -1.47 -0.03 0.00 -0.57 0.00 0.00 43.02 40.68 2yug s PHE 64 CO 0.23 0.42 0.06 0.99 -0.10 0.00 0.00 175.22 176.82 2yug s THR 65 N -1.19 4.28 0.20 0.64 2.01 -0.74 -1.46 115.64 119.38 2yug s THR 65 Ca 0.21 -0.18 -0.16 0.00 0.31 0.00 0.00 61.69 61.87 2yug s THR 65 Cb -0.11 -3.00 -0.08 0.00 0.01 0.00 0.00 72.50 69.32 2yug s THR 65 CO 0.13 0.35 0.64 0.00 -0.69 0.00 0.00 174.62 175.04 2yug s ALA 66 N 1.58 3.49 -0.20 7.40 0.00 0.36 -0.96 121.76 133.43 2yug s ALA 66 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 2yug s ALA 66 Cb -0.15 -2.66 0.08 0.00 0.00 0.00 0.00 23.12 20.39 2yug s ALA 66 CO 0.03 0.40 0.12 0.08 0.00 0.00 0.00 175.76 176.39 2yug s VAL 67 N -1.56 -0.13 0.55 0.00 1.01 -0.96 -3.63 120.40 115.67 2yug s VAL 67 Ca 0.42 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 2yug s VAL 67 Cb -0.15 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 2yug s VAL 67 CO 0.20 -0.36 1.37 0.29 0.00 0.00 0.00 175.10 176.60 2yug n LYS 68 N 5.28 1.70 0.02 2.72 5.02 -1.26 0.41 118.16 132.05 2yug n LYS 68 Ca -0.06 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2yug n LYS 68 Cb 0.48 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 2yug n LYS 68 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2yug n LEU 69 N -1.03 0.10 -3.64 -0.35 4.77 0.70 -4.85 117.00 112.69 2yug n LEU 69 Ca 0.10 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 56.13 2yug n LEU 69 Cb 0.45 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2yug n LEU 69 CO 0.53 -0.56 1.16 -0.44 -1.33 0.00 0.00 177.39 176.75 2yug s SER 70 N -4.71 -0.03 -1.49 -1.43 0.01 -1.25 -4.97 113.70 99.83 2yug s SER 70 Ca 0.00 0.02 -0.06 0.00 1.31 0.00 0.00 55.95 57.22 2yug s SER 70 Cb 0.00 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.27 2yug s SER 70 CO 0.00 -0.04 0.84 -0.67 0.41 0.00 0.00 173.24 173.77 2yug n ASP 71 N 0.25 -6.23 -3.36 2.44 -0.08 -1.26 -2.50 116.55 105.81 2yug n ASP 71 Ca 0.02 -0.39 -0.16 0.00 -1.51 0.00 0.00 54.79 52.75 2yug n ASP 71 Cb 0.58 -4.98 0.08 0.00 2.34 0.00 0.00 41.12 39.14 2yug n ASP 71 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2yug n SER 72 N -2.72 -2.90 -4.09 1.67 7.64 -1.26 -5.02 113.62 106.94 2yug n SER 72 Ca -0.06 -0.63 -0.23 0.00 1.01 0.00 0.00 58.87 58.95 2yug n SER 72 Cb 0.60 -5.08 -0.16 0.00 -1.01 0.00 0.00 64.21 58.56 2yug n SER 72 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2yug s ARG 73 N -5.16 1.36 0.13 1.43 1.81 -1.04 -4.14 118.95 113.34 2yug s ARG 73 Ca 0.09 -0.50 0.09 0.00 -1.72 0.00 0.00 55.73 53.69 2yug s ARG 73 Cb -0.01 -1.24 -0.04 0.00 -0.45 0.00 0.00 34.95 33.21 2yug s ARG 73 CO 0.72 0.23 -0.22 0.96 -0.68 0.00 0.00 175.30 176.31 2yug s ILE 74 N -0.05 1.94 -0.40 1.52 -4.36 -0.99 -0.22 121.20 118.64 2yug s ILE 74 Ca -0.00 -1.72 -0.06 0.00 -0.26 0.00 0.00 60.65 58.61 2yug s ILE 74 Cb -0.09 -1.78 0.09 0.00 1.25 0.00 0.00 42.46 41.93 2yug s ILE 74 CO 0.01 -0.08 0.20 0.00 0.24 0.00 0.00 174.94 175.31 2yug s ALA 75 N -1.36 3.17 0.59 2.27 0.00 0.17 -2.19 121.76 124.41 2yug s ALA 75 Ca 0.12 -2.25 -0.17 0.00 0.00 0.00 0.00 51.96 49.66 2yug s ALA 75 Cb -0.09 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 2yug s ALA 75 CO 0.06 -1.66 1.11 -0.51 0.00 0.00 0.00 175.76 174.77 2yug s LEU 76 N 1.29 3.59 -0.05 0.00 1.43 -1.25 -2.27 118.68 121.41 2yug s LEU 76 Ca 0.04 2.08 -0.02 0.00 -1.03 0.00 0.00 54.13 55.20 2yug s LEU 76 Cb -0.23 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.46 2yug s LEU 76 CO -0.01 -1.38 0.04 -0.75 0.23 0.00 0.00 176.35 174.48 2yug s LYS 77 N -3.67 0.17 0.70 1.70 2.20 -0.13 -2.45 119.74 118.25 2yug s LYS 77 Ca 0.70 0.28 -0.16 0.00 -0.36 0.00 0.00 55.97 56.42 2yug s LYS 77 Cb -0.22 -0.67 0.02 0.00 -1.51 0.00 0.00 37.83 35.45 2yug s LYS 77 CO 0.33 -0.32 1.25 -1.54 -0.36 0.00 0.00 175.35 174.72 2yug s SER 78 N 2.07 4.32 0.53 1.43 1.04 0.17 -1.79 113.70 121.48 2yug s SER 78 Ca 0.05 2.49 0.19 0.00 0.48 0.00 0.00 55.95 59.15 2yug s SER 78 Cb -0.12 -2.60 1.37 0.00 0.10 0.00 0.00 66.02 64.77 2yug s SER 78 CO -0.04 -2.19 2.16 1.23 0.98 0.00 0.00 173.24 175.39 2yug h GLY 79 N 0.05 0.00 1.88 7.32 0.00 -1.62 -1.46 103.07 109.24 2yug h GLY 79 Ca -0.49 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 2yug h GLY 79 CO 0.51 0.00 -0.09 -0.97 0.00 0.00 0.00 176.54 175.99 2yug h TYR 80 N 0.00 0.16 0.00 5.60 0.05 -1.86 -3.46 116.97 117.45 2yug h TYR 80 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2yug h TYR 80 Cb 0.03 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2yug h TYR 80 CO 0.00 0.25 0.00 0.41 -1.05 0.00 0.00 178.16 177.77 2yug n GLY 81 N -1.08 1.35 3.27 3.88 0.00 -0.55 -5.15 105.19 106.91 2yug n GLY 81 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2yug n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yug s LYS 82 N -0.04 1.14 -0.21 1.61 1.02 -1.23 -4.94 119.74 117.08 2yug s LYS 82 Ca 0.00 -1.52 -0.15 0.00 0.02 0.00 0.00 55.97 54.32 2yug s LYS 82 Cb 0.00 -0.60 -0.04 0.00 -0.52 0.00 0.00 37.83 36.66 2yug s LYS 82 CO 0.00 0.02 0.36 0.71 -0.92 0.00 0.00 175.35 175.52 2yug s TYR 83 N -3.37 3.36 -0.10 3.18 2.02 -1.26 0.45 117.35 121.63 2yug s TYR 83 Ca 0.20 0.54 -0.29 0.00 -0.37 0.00 0.00 57.07 57.15 2yug s TYR 83 Cb 0.04 -2.49 -0.07 0.00 -0.40 0.00 0.00 41.96 39.04 2yug s TYR 83 CO 0.03 -0.01 2.10 1.28 -1.57 0.00 0.00 175.55 177.38 2yug n LEU 84 N 4.50 3.66 -4.36 -1.29 4.77 -1.03 -4.22 117.00 119.04 2yug n LEU 84 Ca -0.09 0.55 -0.21 0.00 -0.03 0.00 0.00 56.01 56.22 2yug n LEU 84 Cb 0.51 -1.53 -0.11 0.00 -2.33 0.00 0.00 43.42 39.96 2yug n LEU 84 CO 0.39 -0.26 -0.47 -0.83 -1.33 0.00 0.00 177.39 174.89 2yug s GLY 85 N 6.41 1.48 -0.10 -0.72 0.00 -1.03 -4.40 107.32 108.96 2yug s GLY 85 Ca 0.95 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 44.08 2yug s GLY 85 CO 0.39 -1.66 -0.06 -0.26 0.00 0.00 0.00 173.10 171.52 2yug s ILE 86 N -2.34 3.78 0.80 0.90 -4.36 -1.25 0.52 121.20 119.24 2yug s ILE 86 Ca 0.19 -0.43 -0.11 0.00 -0.26 0.00 0.00 60.65 60.04 2yug s ILE 86 Cb -0.04 -2.58 0.07 0.00 1.25 0.00 0.00 42.46 41.15 2yug s ILE 86 CO 0.08 0.57 1.09 0.20 0.24 0.00 0.00 174.94 177.12 2yug s ASN 87 N -0.42 4.46 0.31 4.36 -0.87 -0.33 -4.88 114.94 117.58 2yug s ASN 87 Ca 0.06 1.35 0.09 0.00 -1.57 0.00 0.00 52.86 52.79 2yug s ASN 87 Cb -0.12 -2.09 0.52 0.00 -0.02 0.00 0.00 41.25 39.54 2yug s ASN 87 CO 0.02 -1.99 1.72 0.28 -2.57 0.00 0.00 177.10 174.56 2yug h SER 88 N -1.10 0.13 0.41 -1.22 0.02 -2.00 -2.83 113.55 106.96 2yug h SER 88 Ca -0.47 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.30 2yug h SER 88 Cb 1.27 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2yug h SER 88 CO 0.59 0.55 -0.53 -0.78 -1.14 0.00 0.00 176.83 175.52 2yug h ASP 89 N 0.10 0.15 0.00 3.07 3.58 -2.06 -3.47 116.42 117.79 2yug h ASP 89 Ca 0.01 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2yug h ASP 89 Cb 0.82 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2yug h ASP 89 CO 0.06 0.65 0.00 0.61 -2.88 0.00 0.00 179.24 177.68 2yug n GLY 90 N 0.05 1.14 2.93 -0.78 0.00 -1.07 -5.01 105.19 102.46 2yug n GLY 90 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2yug n GLY 90 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yug s LEU 91 N 0.00 1.29 -0.07 0.99 2.96 -1.26 -1.37 118.68 121.22 2yug s LEU 91 Ca 0.00 -0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.28 2yug s LEU 91 Cb 0.00 -0.91 -0.06 0.00 0.50 0.00 0.00 46.19 45.72 2yug s LEU 91 CO 0.00 -0.10 1.90 -0.69 -1.32 0.00 0.00 176.35 176.14 2yug s VAL 92 N 1.64 3.23 -0.05 1.68 1.01 -1.02 -1.19 120.40 125.70 2yug s VAL 92 Ca 0.05 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 2yug s VAL 92 Cb -0.13 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.08 2yug s VAL 92 CO -0.08 -0.06 0.11 0.68 0.00 0.00 0.00 175.10 175.75 2yug s VAL 93 N 5.26 -0.04 -0.46 2.92 -7.23 0.18 -4.23 120.40 116.80 2yug s VAL 93 Ca 0.85 0.16 -0.14 0.00 -1.81 0.00 0.00 61.98 61.05 2yug s VAL 93 Cb -0.36 -0.19 0.08 0.00 0.56 0.00 0.00 36.38 36.46 2yug s VAL 93 CO 0.36 0.07 0.36 -0.83 -0.31 0.00 0.00 175.10 174.75 2yug s GLY 94 N 0.98 2.03 -0.36 2.32 0.00 -1.26 -2.47 107.32 108.56 2yug s GLY 94 Ca -0.08 -2.14 0.03 0.00 0.00 0.00 0.00 44.72 42.54 2yug s GLY 94 CO -0.04 1.03 1.27 -0.96 0.00 0.00 0.00 173.10 174.40 2yug n ARG 95 N 5.12 0.35 0.00 2.90 1.85 -1.26 -4.63 116.66 120.98 2yug n ARG 95 Ca -0.12 -1.00 0.00 0.00 -1.00 0.00 0.00 57.85 55.73 2yug n ARG 95 Cb 0.43 -0.43 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2yug n ARG 95 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2yug n SER 96 N 0.81 3.38 -1.80 2.89 2.88 -1.26 -5.04 113.62 115.49 2yug n SER 96 Ca -0.01 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.38 2yug n SER 96 Cb 0.73 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 2yug n SER 96 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2yug n ASP 97 N -2.31 -4.49 -3.64 -3.46 8.00 -1.26 -4.97 116.55 104.42 2yug n ASP 97 Ca 0.00 -0.07 -0.05 0.00 0.71 0.00 0.00 54.79 55.38 2yug n ASP 97 Cb 0.42 -3.55 -0.06 0.00 -0.02 0.00 0.00 41.12 37.90 2yug n ASP 97 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yug s ALA 98 N -2.80 -2.13 -0.68 2.24 0.00 -1.26 -5.04 121.76 112.09 2yug s ALA 98 Ca 0.07 1.75 -0.26 0.00 0.00 0.00 0.00 51.96 53.51 2yug s ALA 98 Cb -0.03 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2yug s ALA 98 CO 0.08 -0.17 1.99 0.42 0.00 0.00 0.00 175.76 178.08 2yug s ILE 99 N -0.20 3.31 0.42 0.00 1.01 -1.26 -4.90 121.20 119.58 2yug s ILE 99 Ca 0.06 0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.81 2yug s ILE 99 Cb -0.04 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 2yug s ILE 99 CO -0.11 -0.75 0.46 -0.83 0.00 0.00 0.00 174.94 173.71 2yug s GLY 100 N 8.78 2.05 0.13 6.18 0.00 -1.26 -5.00 107.32 118.19 2yug s GLY 100 Ca 0.73 -1.79 -0.22 0.00 0.00 0.00 0.00 44.72 43.44 2yug s GLY 100 CO 0.15 -1.61 1.67 -2.55 0.00 0.00 0.00 173.10 170.77 2yug h PRO 101 N 0.86 -0.18 -0.34 2.90 0.11 -1.97 -1.87 132.00 131.52 2yug h PRO 101 Ca -0.41 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 2yug h PRO 101 Cb 1.27 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 2yug h PRO 101 CO 0.52 -0.12 0.15 0.00 -0.21 0.00 0.00 178.00 178.34 2yug h ARG 102 N -0.18 0.47 0.00 1.05 3.08 -1.95 -1.46 114.38 115.38 2yug h ARG 102 Ca 0.09 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2yug h ARG 102 Cb 0.31 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 2yug h ARG 102 CO -0.22 0.39 -0.10 0.93 -1.07 0.00 0.00 179.97 179.89 2yug h GLU 103 N 0.48 0.00 -7.00 0.04 3.07 -1.56 -3.34 114.58 106.27 2yug h GLU 103 Ca 0.12 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.44 2yug h GLU 103 Cb 0.08 0.00 0.12 0.00 -0.84 0.00 0.00 28.75 28.11 2yug h GLU 103 CO -0.01 0.10 0.68 -0.65 -1.40 0.00 0.00 179.01 177.73 2yug s GLN 104 N -4.60 3.60 0.20 2.33 -0.21 -0.55 -4.62 119.66 115.80 2yug s GLN 104 Ca -0.04 2.37 0.08 0.00 0.02 0.00 0.00 55.36 57.79 2yug s GLN 104 Cb 0.15 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.53 2yug s GLN 104 CO 0.64 -0.87 -0.15 -1.58 -2.12 0.00 0.00 175.29 171.21 2yug s TRP 105 N -1.23 1.76 -0.32 0.91 0.52 -0.93 -3.68 118.94 115.98 2yug s TRP 105 Ca 0.63 -0.54 -0.02 0.00 0.02 0.00 0.00 56.10 56.19 2yug s TRP 105 Cb -0.43 -0.82 0.11 0.00 -1.15 0.00 0.00 33.47 31.18 2yug s TRP 105 CO 0.54 0.38 0.14 -2.00 0.02 0.00 0.00 176.95 176.03 2yug s GLU 106 N -3.52 0.55 0.40 4.98 -6.30 0.20 -2.36 118.70 112.65 2yug s GLU 106 Ca 0.22 -1.01 -0.25 0.00 -2.50 0.00 0.00 54.97 51.43 2yug s GLU 106 Cb -0.02 -1.61 -0.08 0.00 0.00 0.00 0.00 34.13 32.41 2yug s GLU 106 CO 0.07 -1.05 1.19 -1.25 0.02 0.00 0.00 175.26 174.24 2yug s PRO 107 N 1.58 4.04 0.04 4.30 0.04 -1.26 -0.76 135.00 142.99 2yug s PRO 107 Ca 0.12 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.06 2yug s PRO 107 Cb -0.18 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 2yug s PRO 107 CO -0.23 -0.34 -0.09 0.08 0.04 0.00 0.00 177.00 176.46 2yug s VAL 108 N -1.39 0.68 -0.09 -0.36 1.01 0.22 -4.88 120.40 115.59 2yug s VAL 108 Ca 0.57 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2yug s VAL 108 Cb -0.32 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.37 2yug s VAL 108 CO 0.40 -0.27 -0.17 -0.36 0.00 0.00 0.00 175.10 174.70 2yug s PHE 109 N -1.18 1.94 -0.05 5.22 0.40 -1.26 0.19 117.98 123.24 2yug s PHE 109 Ca -0.06 -0.80 -0.02 0.00 -0.60 0.00 0.00 56.93 55.45 2yug s PHE 109 Cb -0.09 -1.36 0.03 0.00 0.51 0.00 0.00 43.02 42.11 2yug s PHE 109 CO 0.01 -0.37 0.08 -1.14 0.70 0.00 0.00 175.22 174.50 2yug s GLN 110 N 0.63 -0.04 -1.72 0.44 0.74 -1.06 -4.83 119.66 113.82 2yug s GLN 110 Ca -0.14 0.38 -0.01 0.00 0.05 0.00 0.00 55.36 55.64 2yug s GLN 110 Cb -0.16 -0.38 0.00 0.00 1.10 0.00 0.00 33.01 33.57 2yug s GLN 110 CO 0.04 -0.28 0.07 -0.25 -0.55 0.00 0.00 175.29 174.33 2yug n ASP 111 N 4.99 -5.84 0.00 6.67 8.00 -1.26 -1.73 116.55 127.37 2yug n ASP 111 Ca -0.10 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2yug n ASP 111 Cb 0.50 -4.85 0.00 0.00 -0.02 0.00 0.00 41.12 36.75 2yug n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yug n GLY 112 N -1.07 2.75 3.26 0.44 0.00 -1.26 -5.03 105.19 104.28 2yug n GLY 112 Ca -0.23 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 2yug n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yug n LYS 113 N 0.00 -4.72 -3.73 1.61 5.02 -0.71 -5.02 118.16 110.61 2yug n LYS 113 Ca 0.00 -1.52 -0.14 0.00 -2.02 0.00 0.00 58.31 54.64 2yug n LYS 113 Cb 0.00 -1.89 -0.09 0.00 -0.02 0.00 0.00 35.03 33.03 2yug n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yug s MET 114 N -5.16 0.61 0.06 1.97 0.23 -1.26 -2.56 119.30 113.19 2yug s MET 114 Ca 0.68 0.16 -0.07 0.00 -1.03 0.00 0.00 55.69 55.43 2yug s MET 114 Cb -0.11 0.28 -0.01 0.00 -1.53 0.00 0.00 34.83 33.46 2yug s MET 114 CO 0.57 -0.14 0.15 0.00 -2.03 0.00 0.00 175.02 173.56 2yug s ALA 115 N -0.66 -0.14 -0.42 3.16 0.00 0.13 -2.20 121.76 121.62 2yug s ALA 115 Ca -0.08 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 2yug s ALA 115 Cb -0.04 0.37 0.11 0.00 0.00 0.00 0.00 23.12 23.56 2yug s ALA 115 CO 0.03 -0.42 0.24 -1.17 0.00 0.00 0.00 175.76 174.44 2yug s LEU 116 N -2.56 5.35 0.04 0.00 2.96 -1.26 0.72 118.68 123.93 2yug s LEU 116 Ca 0.01 -1.96 -0.30 0.00 -0.22 0.00 0.00 54.13 51.66 2yug s LEU 116 Cb 0.03 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2yug s LEU 116 CO -0.08 -0.58 1.01 -0.22 -1.32 0.00 0.00 176.35 175.15 2yug s LEU 117 N 1.22 4.41 0.88 -0.68 2.96 0.06 -3.60 118.68 123.93 2yug s LEU 117 Ca 0.07 1.75 -0.12 0.00 -0.22 0.00 0.00 54.13 55.61 2yug s LEU 117 Cb -0.24 -3.58 0.12 0.00 0.50 0.00 0.00 46.19 43.00 2yug s LEU 117 CO -0.03 -0.24 1.14 0.00 -1.32 0.00 0.00 176.35 175.91 2yug s ALA 118 N 0.71 1.98 -1.05 5.97 0.00 -0.21 -0.63 121.76 128.53 2yug s ALA 118 Ca 0.51 -0.53 0.17 0.00 0.00 0.00 0.00 51.96 52.11 2yug s ALA 118 Cb -0.23 -3.02 0.75 0.00 0.00 0.00 0.00 23.12 20.62 2yug s ALA 118 CO 0.29 -2.13 1.54 0.45 0.00 0.00 0.00 175.76 175.91 2yug n SER 119 N -3.66 0.00 -1.78 0.00 2.88 -1.24 -2.63 113.62 107.19 2yug n SER 119 Ca 0.07 0.44 -0.06 0.00 -1.33 0.00 0.00 58.87 57.99 2yug n SER 119 Cb 0.59 -0.47 0.24 0.00 -0.75 0.00 0.00 64.21 63.82 2yug n SER 119 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2yug n ASN 120 N -1.47 4.21 -2.79 -3.46 5.15 -1.26 -4.88 115.26 110.75 2yug n ASN 120 Ca 0.05 -2.99 -0.19 0.00 -0.60 0.00 0.00 54.58 50.85 2yug n ASN 120 Cb 0.19 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 2yug n ASN 120 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2yug n SER 121 N -0.12 -4.70 -4.01 1.20 3.41 -1.08 -4.96 113.62 103.37 2yug n SER 121 Ca 0.34 -0.09 -0.18 0.00 -0.26 0.00 0.00 58.87 58.68 2yug n SER 121 Cb 1.21 -3.90 -0.15 0.00 -0.26 0.00 0.00 64.21 61.11 2yug n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yug s PHE 123 N -0.16 3.18 0.41 0.00 0.08 -1.13 -1.05 117.98 119.32 2yug s PHE 123 Ca 0.03 1.57 -0.05 0.00 0.12 0.00 0.00 56.93 58.60 2yug s PHE 123 Cb -0.04 -2.94 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 2yug s PHE 123 CO -0.00 -0.52 0.70 0.96 -0.10 0.00 0.00 175.22 176.26 2yug s ILE 124 N -2.19 4.94 -0.24 0.64 -4.36 -1.24 -0.75 121.20 118.01 2yug s ILE 124 Ca 0.64 0.13 -0.36 0.00 -0.26 0.00 0.00 60.65 60.80 2yug s ILE 124 Cb -0.13 -3.82 0.15 0.00 1.25 0.00 0.00 42.46 39.91 2yug s ILE 124 CO 0.20 -0.66 1.29 0.00 0.24 0.00 0.00 174.94 176.01 2yug s ARG 125 N -4.32 0.18 0.57 0.37 1.70 -1.06 -4.91 118.95 111.48 2yug s ARG 125 Ca 0.46 -0.05 0.08 0.00 -0.47 0.00 0.00 55.73 55.75 2yug s ARG 125 Cb -0.10 0.08 0.08 0.00 -0.57 0.00 0.00 34.95 34.44 2yug s ARG 125 CO 0.39 -0.08 0.69 0.00 -1.08 0.00 0.00 175.30 175.22 2yug s ASN 127 N -4.57 1.80 0.47 0.00 0.01 0.10 -4.87 114.94 107.89 2yug s ASN 127 Ca 0.54 -0.71 0.12 0.00 -0.71 0.00 0.00 52.86 52.10 2yug s ASN 127 Cb -0.05 -0.05 1.09 0.00 0.41 0.00 0.00 41.25 42.65 2yug s ASN 127 CO 0.34 -0.11 2.10 -0.33 -1.51 0.00 0.00 177.10 177.59 2yug h GLU 128 N 3.93 0.21 -0.03 -0.60 4.39 -2.01 -1.36 114.58 119.11 2yug h GLU 128 Ca -0.40 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.15 2yug h GLU 128 Cb 1.19 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 2yug h GLU 128 CO 0.45 0.16 -0.59 0.00 -1.16 0.00 0.00 179.01 177.86 2yug h ALA 129 N 1.88 0.95 0.00 3.43 0.00 -2.04 -3.47 119.26 120.01 2yug h ALA 129 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2yug h ALA 129 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2yug h ALA 129 CO -0.01 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.38 2yug n GLY 130 N 0.21 0.92 3.06 0.00 0.00 -0.51 -5.05 105.19 103.81 2yug n GLY 130 Ca -0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2yug n GLY 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yug s ASP 131 N -0.14 -0.20 -0.22 1.61 1.01 -1.25 -4.60 116.67 112.88 2yug s ASP 131 Ca 0.00 0.40 -0.05 0.00 0.71 0.00 0.00 52.55 53.61 2yug s ASP 131 Cb 0.00 0.38 -0.02 0.00 1.01 0.00 0.00 42.92 44.28 2yug s ASP 131 CO 0.00 -0.09 0.01 -0.63 0.21 0.00 0.00 175.17 174.67 2yug s ILE 132 N 0.39 3.90 0.22 0.77 1.01 -1.24 0.03 121.20 126.28 2yug s ILE 132 Ca -0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 2yug s ILE 132 Cb -0.04 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 2yug s ILE 132 CO -0.02 0.40 0.21 -1.83 0.00 0.00 0.00 174.94 173.71 2yug s GLU 133 N 1.29 1.32 1.07 2.79 -1.05 -0.54 -2.45 118.70 121.15 2yug s GLU 133 Ca 0.04 -1.60 -0.17 0.00 -0.15 0.00 0.00 54.97 53.09 2yug s GLU 133 Cb -0.15 0.31 0.23 0.00 -0.44 0.00 0.00 34.13 34.09 2yug s GLU 133 CO 0.01 -0.47 1.20 0.00 0.95 0.00 0.00 175.26 176.95 2yug s ALA 134 N -4.05 1.39 0.22 -0.84 0.00 -0.47 -2.56 121.76 115.44 2yug s ALA 134 Ca 0.36 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 51.18 2yug s ALA 134 Cb 0.05 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.32 2yug s ALA 134 CO 0.13 -2.98 0.48 0.21 0.00 0.00 0.00 175.76 173.60 2yug s LYS 135 N -5.58 1.46 1.08 0.00 2.47 0.08 -4.86 119.74 114.38 2yug s LYS 135 Ca 0.71 -1.12 -0.13 0.00 -1.56 0.00 0.00 55.97 53.87 2yug s LYS 135 Cb -0.08 0.48 0.18 0.00 -1.46 0.00 0.00 37.83 36.95 2yug s LYS 135 CO 0.55 -0.61 0.73 0.09 0.16 0.00 0.00 175.35 176.27 2yug n ASN 136 N -0.35 -1.48 0.18 1.43 4.13 -1.26 -2.84 115.26 115.07 2yug n ASN 136 Ca -0.05 0.05 0.10 0.00 1.68 0.00 0.00 54.58 56.36 2yug n ASN 136 Cb 0.62 -1.23 0.62 0.00 -1.54 0.00 0.00 39.78 38.25 2yug n ASN 136 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2yug h LYS 137 N -2.22 0.07 -5.77 3.52 1.57 -1.99 -3.39 116.57 108.37 2yug h LYS 137 Ca -0.53 -0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.76 2yug h LYS 137 Cb 1.32 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 2yug h LYS 137 CO 0.43 0.05 1.54 0.95 -0.57 0.00 0.00 179.45 181.85 2yug s THR 138 N -5.12 3.11 -0.28 -0.16 -4.23 -1.26 -4.93 115.64 102.77 2yug s THR 138 Ca -0.05 0.07 -0.23 0.00 -1.18 0.00 0.00 61.69 60.29 2yug s THR 138 Cb 0.18 -3.26 -0.00 0.00 1.34 0.00 0.00 72.50 70.75 2yug s THR 138 CO 0.69 -0.24 0.78 0.00 -0.54 0.00 0.00 174.62 175.31 2yug s ALA 139 N 10.88 3.58 0.83 3.99 0.00 -1.26 -5.05 121.76 134.73 2yug s ALA 139 Ca 0.90 -0.33 -0.06 0.00 0.00 0.00 0.00 51.96 52.47 2yug s ALA 139 Cb -0.18 -3.26 0.17 0.00 0.00 0.00 0.00 23.12 19.85 2yug s ALA 139 CO 0.26 -1.06 1.14 0.20 0.00 0.00 0.00 175.76 176.30 2yug s GLY 140 N 1.51 1.77 0.33 0.00 0.00 -1.26 -4.96 107.32 104.71 2yug s GLY 140 Ca 0.32 -1.68 0.10 0.00 0.00 0.00 0.00 44.72 43.46 2yug s GLY 140 CO 0.10 -0.99 1.76 -2.09 0.00 0.00 0.00 173.10 171.89 2yug h GLU 141 N -1.00 0.12 0.15 2.90 4.81 -1.96 -2.95 114.58 116.65 2yug h GLU 141 Ca -0.38 -0.05 -0.29 0.00 -0.13 0.00 0.00 59.36 58.51 2yug h GLU 141 Cb 1.24 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.63 2yug h GLU 141 CO 0.35 0.49 -1.32 1.05 -0.73 0.00 0.00 179.01 178.86 2yug h GLU 142 N 0.10 0.33 -0.04 1.92 4.11 -1.96 -3.26 114.58 115.77 2yug h GLU 142 Ca 0.01 -0.56 0.00 0.00 0.07 0.00 0.00 59.36 58.88 2yug h GLU 142 Cb 0.74 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2yug h GLU 142 CO 0.06 1.26 0.03 0.93 0.07 0.00 0.00 179.01 181.35 2yug h GLU 143 N 0.09 0.06 -6.75 1.06 3.07 -1.89 -3.43 114.58 106.79 2yug h GLU 143 Ca -0.17 -0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.15 2yug h GLU 143 Cb 2.02 -0.01 0.08 0.00 -0.84 0.00 0.00 28.75 30.00 2yug h GLU 143 CO 0.22 0.04 0.87 -1.33 -1.40 0.00 0.00 179.01 177.40 2yug n MET 144 N -4.53 2.63 -3.83 2.33 2.81 -1.13 -4.87 117.12 110.53 2yug n MET 144 Ca -0.02 0.94 -0.26 0.00 -1.81 0.00 0.00 57.70 56.55 2yug n MET 144 Cb 0.09 -2.71 -0.01 0.00 -0.71 0.00 0.00 33.22 29.88 2yug n MET 144 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2yug s ILE 145 N 0.13 1.74 -0.34 2.02 -4.36 -0.93 -4.87 121.20 114.59 2yug s ILE 145 Ca 0.66 -1.46 0.01 0.00 -0.26 0.00 0.00 60.65 59.59 2yug s ILE 145 Cb -0.52 -2.20 0.11 0.00 1.25 0.00 0.00 42.46 41.10 2yug s ILE 145 CO 0.47 0.00 0.11 -0.54 0.24 0.00 0.00 174.94 175.22 2yug s LYS 146 N -4.29 0.95 -0.60 0.37 1.02 -1.04 -4.13 119.74 112.03 2yug s LYS 146 Ca 0.36 -1.37 -0.28 0.00 0.02 0.00 0.00 55.97 54.70 2yug s LYS 146 Cb -0.02 -2.27 0.03 0.00 -0.52 0.00 0.00 37.83 35.04 2yug s LYS 146 CO 0.22 -1.01 1.18 0.42 -0.92 0.00 0.00 175.35 175.25 2yug s ILE 147 N 1.28 4.01 -0.10 2.17 1.01 -1.26 -2.63 121.20 125.69 2yug s ILE 147 Ca 0.11 0.80 -0.10 0.00 0.00 0.00 0.00 60.65 61.46 2yug s ILE 147 Cb -0.19 -4.74 -0.05 0.00 0.01 0.00 0.00 42.46 37.50 2yug s ILE 147 CO -0.18 -1.39 0.22 -0.13 0.00 0.00 0.00 174.94 173.46 2yug s ARG 148 N 4.97 3.65 0.09 2.79 0.52 0.17 -3.28 118.95 127.87 2yug s ARG 148 Ca 0.41 0.02 0.07 0.00 -0.52 0.00 0.00 55.73 55.70 2yug s ARG 148 Cb -0.08 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 2yug s ARG 148 CO 0.24 0.70 -0.09 0.45 0.02 0.00 0.00 175.30 176.62 2yug s SER 149 N -0.87 4.46 -0.20 0.23 0.15 0.18 0.85 113.70 118.49 2yug s SER 149 Ca 0.17 -0.35 0.17 0.00 0.70 0.00 0.00 55.95 56.64 2yug s SER 149 Cb -0.13 -0.88 0.46 0.00 -1.71 0.00 0.00 66.02 63.76 2yug s SER 149 CO 0.06 0.19 1.16 0.00 1.20 0.00 0.00 173.24 175.85 2yug s ALA 151 N -2.80 1.76 -0.60 0.00 0.00 -1.26 -4.95 121.76 113.90 2yug s ALA 151 Ca 0.37 -0.55 -0.28 0.00 0.00 0.00 0.00 51.96 51.50 2yug s ALA 151 Cb 0.37 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 20.48 2yug s ALA 151 CO -0.05 -2.32 1.39 -2.00 0.00 0.00 0.00 175.76 172.78 2yug s GLU 152 N -5.30 3.26 0.64 0.00 2.12 -1.26 -5.00 118.70 113.15 2yug s GLU 152 Ca 0.64 0.30 -0.06 0.00 0.36 0.00 0.00 54.97 56.21 2yug s GLU 152 Cb -0.14 -4.14 0.03 0.00 0.26 0.00 0.00 34.13 30.14 2yug s GLU 152 CO 0.53 -2.00 0.94 1.03 -0.54 0.00 0.00 175.26 175.23 2yug s ARG 153 N 5.59 2.62 -0.24 4.30 1.81 -1.26 -5.07 118.95 126.70 2yug s ARG 153 Ca 0.49 -0.12 -0.09 0.00 -1.72 0.00 0.00 55.73 54.28 2yug s ARG 153 Cb -0.10 -2.23 -0.04 0.00 -0.45 0.00 0.00 34.95 32.13 2yug s ARG 153 CO 0.23 -0.92 0.11 -1.21 -0.68 0.00 0.00 175.30 172.83 2yug s GLU 154 N -5.09 3.90 0.00 3.54 2.02 -1.26 -5.30 118.70 116.51 2yug s GLU 154 Ca 0.57 -0.36 0.07 0.00 0.02 0.00 0.00 54.97 55.27 2yug s GLU 154 Cb -0.11 -3.42 0.44 0.00 0.10 0.00 0.00 34.13 31.14 2yug s GLU 154 CO 0.45 -0.01 0.89 2.41 0.02 0.00 0.00 175.26 179.03