#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yug n SER 2 N 0.00 0.00 -2.81 1.61 3.41 -1.26 -5.11 113.62 109.46 2yug n SER 2 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 2yug n SER 2 Cb 0.00 0.29 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 2yug n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yug n SER 3 N -2.20 -7.84 0.00 4.04 2.88 -1.26 -4.69 113.62 104.55 2yug n SER 3 Ca 0.00 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2yug n SER 3 Cb 0.00 -5.31 0.00 0.00 -0.75 0.00 0.00 64.21 58.15 2yug n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yug n GLY 4 N -0.26 2.54 3.23 0.46 0.00 -1.26 -4.75 105.19 105.15 2yug n GLY 4 Ca 0.11 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 2yug n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yug s SER 5 N -4.00 2.23 0.02 1.61 1.04 -1.26 -5.15 113.70 108.19 2yug s SER 5 Ca 0.00 -0.60 0.04 0.00 0.48 0.00 0.00 55.95 55.88 2yug s SER 5 Cb 0.00 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 2yug s SER 5 CO 0.00 0.06 -0.13 -0.55 0.98 0.00 0.00 173.24 173.60 2yug s SER 6 N -1.57 1.48 -0.44 7.02 0.15 -1.26 -5.12 113.70 113.97 2yug s SER 6 Ca 0.04 -0.34 -0.08 0.00 0.70 0.00 0.00 55.95 56.27 2yug s SER 6 Cb -0.09 -0.12 0.10 0.00 -1.71 0.00 0.00 66.02 64.19 2yug s SER 6 CO 0.03 0.07 0.28 -0.83 1.20 0.00 0.00 173.24 173.99 2yug s GLY 7 N -0.75 1.99 -0.03 9.45 0.00 -1.26 -5.07 107.32 111.66 2yug s GLY 7 Ca 0.02 -2.32 -0.02 0.00 0.00 0.00 0.00 44.72 42.41 2yug s GLY 7 CO 0.00 1.02 0.09 -2.27 0.00 0.00 0.00 173.10 171.95 2yug s LEU 8 N 1.37 3.97 -0.40 0.66 2.96 -1.26 -5.06 118.68 120.93 2yug s LEU 8 Ca 0.04 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2yug s LEU 8 Cb -0.24 -2.24 0.12 0.00 0.50 0.00 0.00 46.19 44.33 2yug s LEU 8 CO 0.00 0.30 0.18 -0.62 -1.32 0.00 0.00 176.35 174.90 2yug s ASP 9 N -1.58 3.84 -0.21 3.68 2.15 -1.26 -5.03 116.67 118.25 2yug s ASP 9 Ca 0.21 -2.31 -0.10 0.00 0.43 0.00 0.00 52.55 50.78 2yug s ASP 9 Cb -0.12 -1.03 -0.05 0.00 -0.30 0.00 0.00 42.92 41.42 2yug s ASP 9 CO 0.12 -0.32 0.14 -0.51 -0.17 0.00 0.00 175.17 174.44 2yug s ILE 10 N 0.76 5.39 -0.37 4.11 2.07 -1.26 -3.24 121.20 128.66 2yug s ILE 10 Ca 0.15 0.20 0.03 0.00 -1.41 0.00 0.00 60.65 59.62 2yug s ILE 10 Cb -0.22 -3.48 0.11 0.00 0.13 0.00 0.00 42.46 38.99 2yug s ILE 10 CO -0.07 0.41 0.10 -0.69 -1.91 0.00 0.00 174.94 172.77 2yug s VAL 11 N 0.59 2.11 0.00 4.00 1.01 0.27 -4.95 120.40 123.43 2yug s VAL 11 Ca 0.08 -2.39 0.00 0.00 0.00 0.00 0.00 61.98 59.67 2yug s VAL 11 Cb -0.12 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2yug s VAL 11 CO 0.00 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.06 2yug n GLY 12 N 4.11 1.90 1.33 4.51 0.00 -1.26 -2.92 105.19 112.86 2yug n GLY 12 Ca 0.04 0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 0.94 -3.72 -0.61 -5.35 -1.26 -5.03 119.36 104.32 2yug n ILE 13 Ca 0.00 -2.03 -0.20 0.00 -0.27 0.00 0.00 62.75 60.25 2yug n ILE 13 Cb 0.00 0.52 -0.18 0.00 -1.74 0.00 0.00 39.64 38.24 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 -1.51 0.25 -0.04 4.28 0.52 -1.15 -4.07 118.94 117.22 2yug s TRP 14 Ca 0.36 0.11 0.06 0.00 0.02 0.00 0.00 56.10 56.65 2yug s TRP 14 Cb 0.38 -0.55 -0.02 0.00 -1.15 0.00 0.00 33.47 32.13 2yug s TRP 14 CO -0.12 -0.22 -0.21 1.67 0.02 0.00 0.00 176.95 178.09 2yug s TRP 15 N 1.97 2.50 0.06 -1.98 1.48 0.54 -0.57 118.94 122.93 2yug s TRP 15 Ca 0.03 -0.38 -0.31 0.00 -1.06 0.00 0.00 56.10 54.39 2yug s TRP 15 Cb -0.12 -1.57 -0.06 0.00 -1.16 0.00 0.00 33.47 30.55 2yug s TRP 15 CO -0.04 0.01 1.36 0.99 -4.06 0.00 0.00 176.95 175.22 2yug s THR 16 N -0.57 3.60 0.95 0.66 2.01 -1.20 0.36 115.64 121.46 2yug s THR 16 Ca 0.08 1.10 -0.11 0.00 0.31 0.00 0.00 61.69 63.06 2yug s THR 16 Cb -0.11 -3.70 0.16 0.00 0.01 0.00 0.00 72.50 68.86 2yug s THR 16 CO 0.00 0.05 1.09 0.68 -0.69 0.00 0.00 174.62 175.75 2yug s VAL 17 N 1.63 2.43 -0.20 3.82 -7.23 -0.91 -4.76 120.40 115.18 2yug s VAL 17 Ca 0.63 0.14 0.03 0.00 -1.81 0.00 0.00 61.98 60.97 2yug s VAL 17 Cb -0.33 -2.41 -0.14 0.00 0.56 0.00 0.00 36.38 34.06 2yug s VAL 17 CO 0.28 -0.18 -0.15 -0.24 -0.31 0.00 0.00 175.10 174.51 2yug n SER 18 N -4.17 2.22 -3.13 4.85 2.88 -1.26 -4.99 113.62 110.01 2yug n SER 18 Ca 0.08 -0.09 -0.14 0.00 -1.33 0.00 0.00 58.87 57.38 2yug n SER 18 Cb 0.54 -0.15 -0.03 0.00 -0.75 0.00 0.00 64.21 63.82 2yug n SER 18 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2yug s ASN 19 N -5.84 0.89 0.21 -3.46 4.22 -1.26 -5.00 114.94 104.70 2yug s ASN 19 Ca -0.25 -1.48 -0.09 0.00 -2.14 0.00 0.00 52.86 48.90 2yug s ASN 19 Cb 0.07 0.70 0.21 0.00 1.28 0.00 0.00 41.25 43.51 2yug s ASN 19 CO 0.50 -1.37 1.84 0.15 -2.04 0.00 0.00 177.10 176.18 2yug h PHE 20 N 2.07 0.82 -0.20 1.54 3.57 -1.96 -1.24 116.94 121.54 2yug h PHE 20 Ca -0.29 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.29 2yug h PHE 20 Cb 1.24 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2yug h PHE 20 CO 1.58 0.45 0.27 0.78 -2.23 0.00 0.00 178.31 179.15 2yug h GLY 21 N 0.85 0.00 1.86 2.40 0.00 -2.03 0.87 103.07 107.01 2yug h GLY 21 Ca 0.30 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.41 2yug h GLY 21 CO -0.13 0.00 -1.09 0.83 0.00 0.00 0.00 176.54 176.15 2yug h GLU 22 N 0.00 0.00 -6.03 4.80 4.39 -1.63 -3.43 114.58 112.68 2yug h GLU 22 Ca 0.10 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.28 2yug h GLU 22 Cb 0.63 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 2yug h GLU 22 CO -0.00 0.92 1.35 0.42 -1.16 0.00 0.00 179.01 180.53 2yug s ILE 23 N -2.70 3.37 -0.30 3.13 1.01 0.30 -4.90 121.20 121.11 2yug s ILE 23 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.85 2yug s ILE 23 Cb 0.10 -3.82 0.15 0.00 0.01 0.00 0.00 42.46 38.89 2yug s ILE 23 CO 0.82 -0.74 0.66 -0.44 0.00 0.00 0.00 174.94 175.24 2yug s SER 24 N 7.82 -1.18 0.00 3.58 0.01 -1.26 -4.95 113.70 117.73 2yug s SER 24 Ca 0.72 1.30 0.00 0.00 1.31 0.00 0.00 55.95 59.27 2yug s SER 24 Cb -0.15 2.21 0.00 0.00 0.21 0.00 0.00 66.02 68.29 2yug s SER 24 CO 0.24 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2yug n GLY 25 N 5.42 -0.77 3.69 3.44 0.00 -1.25 -4.91 105.19 110.81 2yug n GLY 25 Ca -0.08 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 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 3.52 0.05 2.61 2.01 -1.26 -0.22 115.64 122.34 2yug s THR 26 Ca 0.00 0.94 -0.02 0.00 0.31 0.00 0.00 61.69 62.92 2yug s THR 26 Cb 0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 2yug s THR 26 CO 0.00 0.00 -0.01 0.27 -0.69 0.00 0.00 174.62 174.20 2yug s ILE 27 N 2.34 0.20 0.10 1.82 -4.36 0.16 -3.09 121.20 118.38 2yug s ILE 27 Ca 0.66 -1.67 0.07 0.00 -0.26 0.00 0.00 60.65 59.45 2yug s ILE 27 Cb -0.34 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.94 2yug s ILE 27 CO 0.28 -0.92 -0.17 0.00 0.24 0.00 0.00 174.94 174.37 2yug s ALA 28 N -3.70 1.52 -0.02 2.27 0.00 0.17 -1.27 121.76 120.72 2yug s ALA 28 Ca 0.05 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.87 2yug s ALA 28 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2yug s ALA 28 CO -0.09 0.23 -0.11 0.42 0.00 0.00 0.00 175.76 176.21 2yug s ILE 29 N -1.44 3.33 -0.25 0.00 1.01 -1.26 -0.18 121.20 122.41 2yug s ILE 29 Ca 0.04 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 2yug s ILE 29 Cb -0.09 -2.37 0.08 0.00 0.01 0.00 0.00 42.46 40.09 2yug s ILE 29 CO 0.03 0.50 0.06 -0.70 0.00 0.00 0.00 174.94 174.84 2yug s GLU 30 N -1.05 0.70 -0.06 2.79 2.12 -0.92 -4.25 118.70 118.03 2yug s GLU 30 Ca 0.14 -0.74 -0.08 0.00 0.36 0.00 0.00 54.97 54.65 2yug s GLU 30 Cb -0.11 -2.01 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 2yug s GLU 30 CO 0.03 -0.82 0.34 0.52 -0.54 0.00 0.00 175.26 174.80 2yug h MET 31 N 8.17 -0.27 -6.81 4.30 2.86 -1.86 -2.01 114.93 119.31 2yug h MET 31 Ca -0.16 0.02 -0.47 0.00 -2.06 0.00 0.00 59.70 57.03 2yug h MET 31 Cb 1.06 0.06 0.03 0.00 0.06 0.00 0.00 31.60 32.82 2yug h MET 31 CO 0.41 -0.18 -0.02 -0.51 1.06 0.00 0.00 176.91 177.67 2yug s ASP 32 N -5.03 5.89 -1.16 1.22 1.11 -1.25 -4.76 116.67 112.69 2yug s ASP 32 Ca -0.04 0.49 -0.22 0.00 0.18 0.00 0.00 52.55 52.96 2yug s ASP 32 Cb 0.00 -1.73 -0.02 0.00 1.07 0.00 0.00 42.92 42.24 2yug s ASP 32 CO 0.12 -0.72 1.84 -0.54 1.18 0.00 0.00 175.17 177.05 2yug s LYS 33 N -4.65 3.03 0.00 8.23 1.02 -1.26 -3.01 119.74 123.10 2yug s LYS 33 Ca 0.48 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 55.20 2yug s LYS 33 Cb -0.10 -5.31 0.00 0.00 -0.52 0.00 0.00 37.83 31.90 2yug s LYS 33 CO 0.40 -3.25 0.00 0.41 -0.92 0.00 0.00 175.35 171.99 2yug n GLY 34 N 5.94 0.61 3.89 -3.33 0.00 -1.26 -5.04 105.19 105.99 2yug n GLY 34 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.91 3.50 0.10 4.61 0.00 -1.16 -4.03 121.76 123.86 2yug s ALA 35 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.61 2yug s ALA 35 Cb 0.00 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 2yug s ALA 35 CO 0.00 0.18 -0.05 0.71 0.00 0.00 0.00 175.76 176.60 2yug s TYR 36 N -2.16 0.84 -0.45 0.00 1.51 -1.21 -3.82 117.35 112.06 2yug s TYR 36 Ca 0.48 -0.96 -0.28 0.00 -1.01 0.00 0.00 57.07 55.29 2yug s TYR 36 Cb -0.11 -0.50 0.00 0.00 -0.11 0.00 0.00 41.96 41.24 2yug s TYR 36 CO 0.29 -0.21 1.53 0.42 -1.11 0.00 0.00 175.55 176.47 2yug s ILE 37 N -3.70 3.74 0.38 2.71 1.01 -1.26 0.24 121.20 124.32 2yug s ILE 37 Ca 0.12 0.70 -0.09 0.00 0.00 0.00 0.00 60.65 61.38 2yug s ILE 37 Cb 0.06 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 38.33 2yug s ILE 37 CO -0.05 -0.82 0.72 -2.28 0.00 0.00 0.00 174.94 172.52 2yug s HIS 38 N 6.21 3.47 0.19 3.97 2.46 0.25 -4.63 115.29 127.21 2yug s HIS 38 Ca 0.63 0.96 0.07 0.00 0.47 0.00 0.00 55.06 57.19 2yug s HIS 38 Cb -0.14 -2.37 -0.04 0.00 -0.13 0.00 0.00 32.58 29.90 2yug s HIS 38 CO 0.30 -0.05 0.02 0.00 -2.47 0.00 0.00 174.74 172.54 2yug s ALA 39 N -2.31 3.25 -0.05 1.58 0.00 -1.26 -1.65 121.76 121.31 2yug s ALA 39 Ca 0.50 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2yug s ALA 39 Cb -0.10 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.01 2yug s ALA 39 CO 0.31 0.45 -0.10 -0.51 0.00 0.00 0.00 175.76 175.91 2yug s LEU 40 N -3.09 1.64 0.51 0.00 1.43 0.81 -4.86 118.68 115.12 2yug s LEU 40 Ca 0.28 -0.24 0.15 0.00 -1.03 0.00 0.00 54.13 53.30 2yug s LEU 40 Cb -0.09 -0.69 1.24 0.00 0.03 0.00 0.00 46.19 46.69 2yug s LEU 40 CO 0.19 0.03 2.14 -2.24 0.23 0.00 0.00 176.35 176.71 2yug h ASP 41 N 6.81 0.03 -0.18 2.29 3.04 -1.99 -1.24 116.42 125.18 2yug h ASP 41 Ca -0.33 -0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.51 2yug h ASP 41 Cb 1.17 -0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 39.45 2yug h ASP 41 CO 0.48 0.02 0.15 -1.13 -2.04 0.00 0.00 179.24 176.72 2yug h ASN 42 N 0.03 0.00 0.00 4.15 -1.24 -1.99 -3.45 115.58 113.08 2yug h ASN 42 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2yug h ASN 42 Cb -0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2yug h ASN 42 CO -0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 2yug n GLY 43 N -1.51 1.71 3.21 1.57 0.00 -0.48 -5.15 105.19 104.55 2yug n GLY 43 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 1.42 -0.10 0.99 1.43 -1.19 -4.62 118.68 116.61 2yug s LEU 44 Ca 0.00 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 2yug s LEU 44 Cb 0.00 0.52 0.02 0.00 0.03 0.00 0.00 46.19 46.76 2yug s LEU 44 CO 0.00 -0.80 -0.09 -0.36 0.23 0.00 0.00 176.35 175.33 2yug s PHE 45 N -4.06 1.44 0.43 0.29 0.40 -1.26 -0.13 117.98 115.09 2yug s PHE 45 Ca 0.27 -0.66 0.06 0.00 -0.60 0.00 0.00 56.93 56.00 2yug s PHE 45 Cb 0.06 -1.17 -0.05 0.00 0.51 0.00 0.00 43.02 42.38 2yug s PHE 45 CO 0.05 -0.44 0.12 -0.08 0.70 0.00 0.00 175.22 175.57 2yug s THR 46 N 1.40 2.02 -0.42 0.64 -1.32 -0.66 -3.84 115.64 113.45 2yug s THR 46 Ca -0.01 -1.81 -0.22 0.00 -1.21 0.00 0.00 61.69 58.44 2yug s THR 46 Cb -0.13 -2.83 0.02 0.00 -1.51 0.00 0.00 72.50 68.05 2yug s THR 46 CO -0.05 0.00 0.74 -0.22 -2.21 0.00 0.00 174.62 172.88 2yug s LEU 47 N -3.87 4.28 0.30 9.08 2.96 -1.18 0.85 118.68 131.10 2yug s LEU 47 Ca 0.34 -0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 53.91 2yug s LEU 47 Cb 0.05 -2.91 -0.10 0.00 0.50 0.00 0.00 46.19 43.73 2yug s LEU 47 CO 0.19 -0.82 1.41 -0.83 -1.32 0.00 0.00 176.35 174.97 2yug s GLY 48 N 2.02 2.66 0.66 7.98 0.00 0.14 -4.85 107.32 115.93 2yug s GLY 48 Ca 0.28 1.36 -0.18 0.00 0.00 0.00 0.00 44.72 46.18 2yug s GLY 48 CO 0.20 2.16 1.28 0.00 0.00 0.00 0.00 173.10 176.75 2yug s ALA 49 N -0.60 2.34 0.27 3.20 0.00 -1.26 -3.35 121.76 122.35 2yug s ALA 49 Ca 0.55 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.39 2yug s ALA 49 Cb -0.42 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.06 2yug s ALA 49 CO 0.50 -1.64 1.32 -1.25 0.00 0.00 0.00 175.76 174.69 2yug s PRO 50 N -3.45 4.37 1.02 0.00 0.04 -1.26 -4.74 135.00 130.98 2yug s PRO 50 Ca 0.82 2.15 -0.11 0.00 0.04 0.00 0.00 61.00 63.89 2yug s PRO 50 Cb -0.36 -3.13 0.21 0.00 0.04 0.00 0.00 34.50 31.25 2yug s PRO 50 CO 0.40 -0.22 1.10 -1.01 0.04 0.00 0.00 177.00 177.31 2yug s HIS 51 N -0.52 1.48 0.10 0.56 3.76 -1.26 -4.95 115.29 114.46 2yug s HIS 51 Ca 0.53 1.56 -0.03 0.00 -0.15 0.00 0.00 55.06 56.97 2yug s HIS 51 Cb -0.38 -3.24 -0.20 0.00 1.11 0.00 0.00 32.58 29.86 2yug s HIS 51 CO 0.45 -3.29 1.22 0.07 -0.85 0.00 0.00 174.74 172.35 2yug h ARG 52 N -2.21 0.27 -6.75 1.40 0.11 -1.98 -3.46 114.38 101.76 2yug h ARG 52 Ca -0.51 -0.39 -0.47 0.00 0.10 0.00 0.00 59.98 58.71 2yug h ARG 52 Cb 1.30 0.13 0.03 0.00 1.11 0.00 0.00 29.97 32.54 2yug h ARG 52 CO 0.45 1.14 -0.04 -1.21 0.10 0.00 0.00 179.97 180.41 2yug s GLU 53 N -2.87 3.32 -0.05 0.08 0.41 -1.26 -5.06 118.70 113.28 2yug s GLU 53 Ca -0.04 -0.20 -0.00 0.00 -0.41 0.00 0.00 54.97 54.32 2yug s GLU 53 Cb 0.08 -2.51 -0.00 0.00 -1.78 0.00 0.00 34.13 29.92 2yug s GLU 53 CO 0.87 -0.16 -0.01 0.28 -0.49 0.00 0.00 175.26 175.75 2yug h VAL 54 N 0.41 0.00 -1.07 2.63 2.07 -2.03 -3.41 116.25 114.84 2yug h VAL 54 Ca -0.47 -0.45 -0.60 0.00 0.82 0.00 0.00 66.70 65.99 2yug h VAL 54 Cb 1.23 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.90 2yug h VAL 54 CO 0.60 0.00 1.57 -0.62 0.02 0.00 0.00 177.57 179.14 2yug s ASP 55 N -4.17 6.51 0.07 0.57 2.15 -1.26 -4.93 116.67 115.62 2yug s ASP 55 Ca -0.01 -1.55 -0.01 0.00 0.43 0.00 0.00 52.55 51.41 2yug s ASP 55 Cb 0.00 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 2yug s ASP 55 CO 0.01 -1.49 -0.02 -1.61 -0.17 0.00 0.00 175.17 171.89 2yug s GLU 56 N 4.93 0.71 0.39 4.34 0.41 -1.26 -4.84 118.70 123.38 2yug s GLU 56 Ca 0.47 -1.28 0.08 0.00 -0.41 0.00 0.00 54.97 53.83 2yug s GLU 56 Cb 0.00 0.15 -0.03 0.00 -1.78 0.00 0.00 34.13 32.48 2yug s GLU 56 CO -0.08 -0.13 0.31 0.20 -0.49 0.00 0.00 175.26 175.08 2yug s GLY 57 N -2.97 2.07 1.04 -1.39 0.00 -1.26 -4.83 107.32 99.98 2yug s GLY 57 Ca 0.11 -1.86 -0.13 0.00 0.00 0.00 0.00 44.72 42.84 2yug s GLY 57 CO -0.07 -1.71 1.09 2.56 0.00 0.00 0.00 173.10 174.97 2yug s PRO 58 N -4.05 0.06 0.48 2.90 0.04 -1.26 -5.06 135.00 128.11 2yug s PRO 58 Ca 0.45 0.47 0.03 0.00 0.04 0.00 0.00 61.00 61.99 2yug s PRO 58 Cb -0.03 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.83 2yug s PRO 58 CO 0.26 -2.97 0.68 -1.12 0.04 0.00 0.00 177.00 173.89 2yug s SER 59 N -3.39 5.54 0.18 6.66 0.01 -1.26 -4.89 113.70 116.56 2yug s SER 59 Ca 0.66 -0.05 -0.14 0.00 1.31 0.00 0.00 55.95 57.72 2yug s SER 59 Cb -0.19 -1.00 0.17 0.00 0.21 0.00 0.00 66.02 65.21 2yug s SER 59 CO 0.58 -0.90 1.69 -0.65 0.41 0.00 0.00 173.24 174.37 2yug h PRO 60 N 0.34 0.11 0.00 12.44 0.11 -1.97 0.86 132.00 143.90 2yug h PRO 60 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2yug h PRO 60 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2yug h PRO 60 CO 0.52 0.07 0.00 -1.00 -0.21 0.00 0.00 178.00 177.38 2yug h PRO 61 N 0.12 0.00 0.00 1.05 0.13 -1.95 -2.94 132.00 128.40 2yug h PRO 61 Ca 0.23 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.12 2yug h PRO 61 Cb 0.35 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.44 2yug h PRO 61 CO -0.39 0.00 -1.39 0.93 -0.23 0.00 0.00 178.00 176.92 2yug h GLU 62 N 0.00 0.00 -6.98 0.86 5.08 -1.42 -3.38 114.58 108.74 2yug h GLU 62 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2yug h GLU 62 Cb 0.53 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.92 2yug h GLU 62 CO 0.00 0.66 0.54 1.04 -1.00 0.00 0.00 179.01 180.26 2yug n GLN 63 N -3.15 1.69 -4.22 2.33 6.02 0.15 -4.72 117.38 115.48 2yug n GLN 63 Ca -0.10 0.62 -0.13 0.00 -0.01 0.00 0.00 57.00 57.39 2yug n GLN 63 Cb 0.99 -2.51 -0.10 0.00 1.02 0.00 0.00 30.24 29.64 2yug n GLN 63 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2yug s PHE 64 N -1.29 1.12 -0.09 1.08 0.08 -0.40 -2.42 117.98 116.07 2yug s PHE 64 Ca 0.69 -0.81 0.04 0.00 0.12 0.00 0.00 56.93 56.97 2yug s PHE 64 Cb -0.44 -0.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.42 2yug s PHE 64 CO 0.51 -0.00 -0.23 0.99 -0.10 0.00 0.00 175.22 176.39 2yug s THR 65 N -3.42 1.96 0.08 0.64 2.01 -0.81 0.40 115.64 116.50 2yug s THR 65 Ca 0.15 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 61.04 2yug s THR 65 Cb 0.03 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.79 2yug s THR 65 CO -0.01 0.54 0.49 0.00 -0.69 0.00 0.00 174.62 174.95 2yug s ALA 66 N 0.33 3.63 -0.13 7.40 0.00 0.69 -1.85 121.76 131.83 2yug s ALA 66 Ca -0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 2yug s ALA 66 Cb -0.17 -2.47 0.05 0.00 0.00 0.00 0.00 23.12 20.52 2yug s ALA 66 CO 0.08 0.47 0.05 0.08 0.00 0.00 0.00 175.76 176.44 2yug s VAL 67 N -1.28 0.14 0.23 0.00 1.01 -0.96 -3.93 120.40 115.62 2yug s VAL 67 Ca 0.32 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 2yug s VAL 67 Cb -0.16 -0.59 -0.10 0.00 0.00 0.00 0.00 36.38 35.54 2yug s VAL 67 CO 0.18 -0.06 1.38 -0.54 0.00 0.00 0.00 175.10 176.05 2yug s LYS 68 N 2.05 4.33 0.00 2.72 1.02 -1.26 -1.23 119.74 127.36 2yug s LYS 68 Ca 0.02 2.19 0.00 0.00 0.02 0.00 0.00 55.97 58.21 2yug s LYS 68 Cb -0.15 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 2yug s LYS 68 CO -0.07 -0.33 0.00 1.28 -0.92 0.00 0.00 175.35 175.31 2yug n LEU 69 N 2.37 0.00 0.00 3.17 4.77 -0.33 -4.94 117.00 122.05 2yug n LEU 69 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2yug n LEU 69 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2yug n LEU 69 CO 0.59 -0.39 0.00 -1.54 -1.33 0.00 0.00 177.39 174.72 2yug n SER 70 N -2.17 0.00 -3.76 -1.43 3.41 -1.19 -4.97 113.62 103.51 2yug n SER 70 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2yug n SER 70 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2yug n SER 70 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2yug n ASP 71 N 0.00 -4.37 -2.39 4.04 -0.08 -1.26 -0.92 116.55 111.57 2yug n ASP 71 Ca 0.00 -0.71 -0.21 0.00 -1.51 0.00 0.00 54.79 52.36 2yug n ASP 71 Cb 0.00 -4.30 -0.01 0.00 2.34 0.00 0.00 41.12 39.15 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 -2.94 -5.95 -4.48 1.67 7.64 -1.26 -4.96 113.62 103.33 2yug n SER 72 Ca -0.05 -0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.45 2yug n SER 72 Cb 0.57 -4.95 -0.12 0.00 -1.01 0.00 0.00 64.21 58.70 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 -5.03 3.72 0.03 1.43 1.81 -0.10 -4.17 118.95 116.63 2yug s ARG 73 Ca 0.00 -0.45 0.09 0.00 -1.72 0.00 0.00 55.73 53.65 2yug s ARG 73 Cb 0.00 -3.36 -0.03 0.00 -0.45 0.00 0.00 34.95 31.12 2yug s ARG 73 CO 0.00 -0.15 -0.26 0.96 -0.68 0.00 0.00 175.30 175.17 2yug s ILE 74 N 1.52 2.10 -0.23 1.52 -4.36 -1.20 -1.18 121.20 119.37 2yug s ILE 74 Ca 0.06 -1.31 -0.06 0.00 -0.26 0.00 0.00 60.65 59.08 2yug s ILE 74 Cb -0.15 -1.78 -0.02 0.00 1.25 0.00 0.00 42.46 41.75 2yug s ILE 74 CO 0.04 0.42 0.03 0.00 0.24 0.00 0.00 174.94 175.67 2yug s ALA 75 N -0.75 3.05 0.98 2.27 0.00 -0.37 -2.07 121.76 124.86 2yug s ALA 75 Ca 0.11 -1.11 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 2yug s ALA 75 Cb -0.10 -1.92 0.18 0.00 0.00 0.00 0.00 23.12 21.28 2yug s ALA 75 CO 0.01 -0.40 1.17 -0.51 0.00 0.00 0.00 175.76 176.03 2yug s LEU 76 N 1.45 1.91 -0.24 0.00 1.43 -1.26 -2.26 118.68 119.71 2yug s LEU 76 Ca 0.05 0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 53.85 2yug s LEU 76 Cb -0.15 -2.92 0.12 0.00 0.03 0.00 0.00 46.19 43.27 2yug s LEU 76 CO 0.01 -2.88 0.48 -0.75 0.23 0.00 0.00 176.35 173.44 2yug s LYS 77 N -5.43 0.41 0.53 1.70 2.20 -0.77 -3.96 119.74 114.42 2yug s LYS 77 Ca 0.67 1.05 -0.22 0.00 -0.36 0.00 0.00 55.97 57.12 2yug s LYS 77 Cb -0.12 0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 36.51 2yug s LYS 77 CO 0.54 -0.33 1.31 -1.54 -0.36 0.00 0.00 175.35 174.96 2yug s SER 78 N 2.69 5.46 0.55 1.43 1.04 0.49 -1.93 113.70 123.44 2yug s SER 78 Ca 0.02 2.64 0.23 0.00 0.48 0.00 0.00 55.95 59.32 2yug s SER 78 Cb -0.13 -2.63 1.49 0.00 0.10 0.00 0.00 66.02 64.85 2yug s SER 78 CO -0.15 -1.43 2.13 1.23 0.98 0.00 0.00 173.24 176.00 2yug h GLY 79 N 1.56 0.00 1.15 7.32 0.00 -1.64 -1.53 103.07 109.92 2yug h GLY 79 Ca -0.51 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 2yug h GLY 79 CO 0.58 0.00 0.20 -0.97 0.00 0.00 0.00 176.54 176.34 2yug h TYR 80 N 0.00 1.10 0.00 5.60 0.05 -1.85 -3.47 116.97 118.40 2yug h TYR 80 Ca 0.06 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2yug h TYR 80 Cb 0.29 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.71 2yug h TYR 80 CO 0.00 0.88 0.00 0.41 -1.05 0.00 0.00 178.16 178.40 2yug n GLY 81 N -0.78 0.63 3.26 3.88 0.00 -0.58 -5.17 105.19 106.44 2yug n GLY 81 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.60 -0.13 1.61 1.02 -1.23 -4.84 119.74 117.76 2yug s LYS 82 Ca 0.00 -1.91 -0.02 0.00 0.02 0.00 0.00 55.97 54.07 2yug s LYS 82 Cb 0.00 0.29 -0.02 0.00 -0.52 0.00 0.00 37.83 37.57 2yug s LYS 82 CO 0.00 -0.57 -0.08 0.71 -0.92 0.00 0.00 175.35 174.50 2yug s TYR 83 N -3.65 2.93 -0.38 3.18 2.02 -1.06 -0.38 117.35 120.02 2yug s TYR 83 Ca 0.40 -0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 56.46 2yug s TYR 83 Cb 0.04 -1.87 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 2yug s TYR 83 CO 0.23 -0.02 1.35 -0.51 -1.57 0.00 0.00 175.55 175.03 2yug s LEU 84 N 0.13 3.69 -0.03 -1.29 1.43 -1.25 -3.49 118.68 117.86 2yug s LEU 84 Ca -0.03 0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 53.98 2yug s LEU 84 Cb -0.14 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.57 2yug s LEU 84 CO 0.04 -1.30 0.05 -0.83 0.23 0.00 0.00 176.35 174.54 2yug s GLY 85 N 3.42 0.11 0.93 -3.19 0.00 -0.71 -4.23 107.32 103.66 2yug s GLY 85 Ca 0.58 0.33 -0.11 0.00 0.00 0.00 0.00 44.72 45.52 2yug s GLY 85 CO 0.29 0.95 1.11 -0.26 0.00 0.00 0.00 173.10 175.19 2yug s ILE 86 N 1.42 2.37 0.46 0.90 -5.25 -1.19 -3.35 121.20 116.57 2yug s ILE 86 Ca -0.05 0.12 0.08 0.00 -0.99 0.00 0.00 60.65 59.81 2yug s ILE 86 Cb -0.13 -2.30 0.03 0.00 2.95 0.00 0.00 42.46 43.01 2yug s ILE 86 CO -0.03 -0.16 0.59 0.20 -1.79 0.00 0.00 174.94 173.75 2yug s ASN 87 N -2.89 5.40 0.39 4.36 0.01 -1.02 -4.80 114.94 116.40 2yug s ASN 87 Ca 0.66 -0.60 0.07 0.00 -0.71 0.00 0.00 52.86 52.28 2yug s ASN 87 Cb -0.21 -0.37 0.78 0.00 0.41 0.00 0.00 41.25 41.86 2yug s ASN 87 CO 0.59 -0.90 1.96 0.77 -1.51 0.00 0.00 177.10 178.01 2yug h SER 88 N 0.58 0.38 -0.07 -1.22 4.64 -1.96 -2.85 113.55 113.05 2yug h SER 88 Ca -0.38 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 60.80 2yug h SER 88 Cb 1.28 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2yug h SER 88 CO 0.46 0.40 -0.35 0.44 -0.87 0.00 0.00 176.83 176.91 2yug h ASP 89 N 0.41 0.43 0.00 4.97 5.19 -2.04 -3.48 116.42 121.90 2yug h ASP 89 Ca 0.10 -0.65 0.00 0.00 -0.62 0.00 0.00 57.03 55.85 2yug h ASP 89 Cb 0.19 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2yug h ASP 89 CO -0.00 1.01 0.00 0.61 -3.12 0.00 0.00 179.24 177.74 2yug n GLY 90 N 0.71 0.57 3.09 2.75 0.00 -1.07 -5.02 105.19 106.22 2yug n GLY 90 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 1.93 -0.52 0.99 2.96 -1.26 -2.05 118.68 120.72 2yug s LEU 91 Ca 0.00 -0.56 -0.27 0.00 -0.22 0.00 0.00 54.13 53.08 2yug s LEU 91 Cb 0.00 -1.33 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 2yug s LEU 91 CO 0.00 -0.00 2.06 -0.69 -1.32 0.00 0.00 176.35 176.39 2yug s VAL 92 N 1.24 3.24 0.49 1.68 1.01 -0.36 -2.42 120.40 125.28 2yug s VAL 92 Ca 0.02 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2yug s VAL 92 Cb -0.14 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2yug s VAL 92 CO -0.09 -0.51 0.14 0.68 0.00 0.00 0.00 175.10 175.32 2yug s VAL 93 N 9.88 1.57 -0.31 2.92 -7.23 -1.21 -4.01 120.40 122.01 2yug s VAL 93 Ca 0.80 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 2yug s VAL 93 Cb -0.16 -2.38 0.14 0.00 0.56 0.00 0.00 36.38 34.54 2yug s VAL 93 CO 0.24 0.00 0.32 -0.83 -0.31 0.00 0.00 175.10 174.53 2yug s GLY 94 N -3.98 -0.13 -0.41 2.32 0.00 -1.26 -1.74 107.32 102.12 2yug s GLY 94 Ca 0.22 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.49 2yug s GLY 94 CO 0.13 2.70 0.81 1.09 0.00 0.00 0.00 173.10 177.83 2yug s ARG 95 N 2.11 0.66 -0.30 2.90 1.04 -1.23 -4.83 118.95 119.30 2yug s ARG 95 Ca 0.11 -0.42 -0.17 0.00 -1.04 0.00 0.00 55.73 54.22 2yug s ARG 95 Cb -0.14 0.03 0.18 0.00 -2.04 0.00 0.00 34.95 32.97 2yug s ARG 95 CO -0.25 -0.89 1.18 -1.12 -0.04 0.00 0.00 175.30 174.18 2yug s SER 96 N 1.50 -0.20 0.42 -2.89 0.01 -1.26 -4.94 113.70 106.34 2yug s SER 96 Ca 0.20 0.15 0.11 0.00 1.31 0.00 0.00 55.95 57.72 2yug s SER 96 Cb 0.01 1.18 0.91 0.00 0.21 0.00 0.00 66.02 68.33 2yug s SER 96 CO -0.09 -0.04 1.99 -0.78 0.41 0.00 0.00 173.24 174.73 2yug h ASP 97 N 7.87 0.18 -2.60 2.44 3.58 -1.94 -2.79 116.42 123.17 2yug h ASP 97 Ca -0.11 -0.03 -0.46 0.00 0.42 0.00 0.00 57.03 56.85 2yug h ASP 97 Cb 1.17 -0.05 0.09 0.00 1.72 0.00 0.00 39.33 42.26 2yug h ASP 97 CO -0.15 0.28 0.14 0.00 -2.88 0.00 0.00 179.24 176.63 2yug s ALA 98 N -4.87 3.48 -0.80 -0.78 0.00 -1.26 -4.87 121.76 112.66 2yug s ALA 98 Ca -0.05 -1.54 -0.06 0.00 0.00 0.00 0.00 51.96 50.31 2yug s ALA 98 Cb 0.16 -2.17 0.20 0.00 0.00 0.00 0.00 23.12 21.31 2yug s ALA 98 CO 0.72 -1.49 0.68 0.42 0.00 0.00 0.00 175.76 176.08 2yug s ILE 99 N -3.21 4.62 0.79 0.00 1.01 -1.26 -4.75 121.20 118.40 2yug s ILE 99 Ca 0.66 -3.10 -0.12 0.00 0.00 0.00 0.00 60.65 58.09 2yug s ILE 99 Cb -0.06 -3.90 0.07 0.00 0.01 0.00 0.00 42.46 38.58 2yug s ILE 99 CO 0.45 -1.00 1.12 -0.83 0.00 0.00 0.00 174.94 174.68 2yug s GLY 100 N 0.94 1.61 0.26 6.18 0.00 -1.26 -4.88 107.32 110.17 2yug s GLY 100 Ca 0.21 -0.41 -0.01 0.00 0.00 0.00 0.00 44.72 44.51 2yug s GLY 100 CO -0.07 0.04 1.77 -2.55 0.00 0.00 0.00 173.10 172.29 2yug h PRO 101 N -1.03 0.64 -0.09 2.90 0.11 -1.97 0.42 132.00 132.98 2yug h PRO 101 Ca -0.47 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2yug h PRO 101 Cb 1.29 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2yug h PRO 101 CO 0.63 0.42 -0.17 0.00 -0.21 0.00 0.00 178.00 178.67 2yug h ARG 102 N 0.66 0.14 0.00 1.05 3.08 -1.93 -2.14 114.38 115.24 2yug h ARG 102 Ca 0.46 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.38 2yug h ARG 102 Cb 0.61 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2yug h ARG 102 CO -0.34 0.32 -0.44 0.93 -1.07 0.00 0.00 179.97 179.37 2yug h GLU 103 N 0.14 0.00 -7.04 0.04 3.07 -1.10 -3.14 114.58 106.56 2yug h GLU 103 Ca 0.03 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.35 2yug h GLU 103 Cb 0.38 0.00 0.12 0.00 -0.84 0.00 0.00 28.75 28.41 2yug h GLU 103 CO 0.02 0.44 0.58 -0.65 -1.40 0.00 0.00 179.01 178.00 2yug s GLN 104 N -3.85 3.30 0.43 2.33 -0.21 -0.81 -4.42 119.66 116.44 2yug s GLN 104 Ca -0.02 2.13 0.04 0.00 0.02 0.00 0.00 55.36 57.53 2yug s GLN 104 Cb 0.13 -2.30 -0.02 0.00 1.00 0.00 0.00 33.01 31.82 2yug s GLN 104 CO 0.72 -1.03 0.15 0.91 -2.12 0.00 0.00 175.29 173.92 2yug n TRP 105 N -0.88 0.19 -3.27 0.91 7.02 -0.88 -3.42 117.44 117.11 2yug n TRP 105 Ca 0.09 -2.73 -0.06 0.00 -1.02 0.00 0.00 57.50 53.79 2yug n TRP 105 Cb 0.46 -0.02 -0.03 0.00 -2.42 0.00 0.00 31.31 29.29 2yug n TRP 105 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2yug s GLU 106 N -3.63 0.74 0.79 -0.99 2.12 -1.13 -3.21 118.70 113.39 2yug s GLU 106 Ca 0.21 -0.45 -0.15 0.00 0.36 0.00 0.00 54.97 54.94 2yug s GLU 106 Cb 0.01 -0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.18 2yug s GLU 106 CO 0.15 -1.18 0.56 -2.30 -0.54 0.00 0.00 175.26 171.94 2yug n PRO 107 N 4.40 0.15 -4.02 4.30 -0.02 -1.26 -3.51 135.00 135.04 2yug n PRO 107 Ca 0.11 0.10 -0.08 0.00 -2.02 0.00 0.00 63.50 61.60 2yug n PRO 107 Cb 0.52 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 32.01 2yug n PRO 107 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2yug s VAL 108 N -2.05 0.18 -0.12 -1.45 1.01 -1.21 -4.93 120.40 111.83 2yug s VAL 108 Ca 0.64 -1.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2yug s VAL 108 Cb -0.31 -1.14 0.06 0.00 0.00 0.00 0.00 36.38 35.00 2yug s VAL 108 CO 0.60 -0.80 0.18 -0.36 0.00 0.00 0.00 175.10 174.72 2yug s PHE 109 N -3.18 -0.20 -0.26 5.22 0.40 -1.26 -3.14 117.98 115.56 2yug s PHE 109 Ca 0.00 0.48 -0.00 0.00 -0.60 0.00 0.00 56.93 56.81 2yug s PHE 109 Cb 0.02 -0.30 0.08 0.00 0.51 0.00 0.00 43.02 43.34 2yug s PHE 109 CO -0.07 -0.38 0.03 -1.14 0.70 0.00 0.00 175.22 174.36 2yug s GLN 110 N 2.30 1.08 -1.38 0.44 2.00 -0.95 -4.79 119.66 118.36 2yug s GLN 110 Ca 0.04 -1.00 -0.09 0.00 -2.00 0.00 0.00 55.36 52.31 2yug s GLN 110 Cb -0.13 -2.34 0.01 0.00 0.80 0.00 0.00 33.01 31.35 2yug s GLN 110 CO -0.08 -0.78 1.14 -0.25 -0.50 0.00 0.00 175.29 174.82 2yug n ASP 111 N 4.77 -6.32 0.00 6.67 8.00 -1.26 -2.14 116.55 126.27 2yug n ASP 111 Ca -0.06 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.91 2yug n ASP 111 Cb 0.44 -4.98 0.00 0.00 -0.02 0.00 0.00 41.12 36.55 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 -1.97 2.72 3.28 0.44 0.00 -1.26 -5.03 105.19 103.36 2yug n GLY 112 Ca 0.00 -0.71 -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 -4.69 -3.62 1.61 5.02 -0.91 -5.00 118.16 110.57 2yug n LYS 113 Ca 0.00 -1.53 -0.15 0.00 -2.02 0.00 0.00 58.31 54.62 2yug n LYS 113 Cb 0.00 -1.89 -0.07 0.00 -0.02 0.00 0.00 35.03 33.05 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 -5.18 0.84 -0.04 1.97 0.23 -1.26 -2.23 119.30 113.63 2yug s MET 114 Ca 0.69 0.80 -0.02 0.00 -1.03 0.00 0.00 55.69 56.13 2yug s MET 114 Cb -0.11 0.41 0.03 0.00 -1.53 0.00 0.00 34.83 33.63 2yug s MET 114 CO 0.57 -0.14 0.07 0.00 -2.03 0.00 0.00 175.02 173.49 2yug s ALA 115 N 0.05 0.16 -0.21 3.16 0.00 -1.19 -1.41 121.76 122.32 2yug s ALA 115 Ca -0.02 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 2yug s ALA 115 Cb -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 2yug s ALA 115 CO 0.03 -0.44 1.22 -1.17 0.00 0.00 0.00 175.76 175.39 2yug s LEU 116 N 2.02 4.10 -0.19 0.00 2.96 -1.26 -3.31 118.68 123.01 2yug s LEU 116 Ca 0.03 1.52 -0.09 0.00 -0.22 0.00 0.00 54.13 55.37 2yug s LEU 116 Cb -0.12 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2yug s LEU 116 CO -0.03 -0.80 0.11 -0.22 -1.32 0.00 0.00 176.35 174.09 2yug s LEU 117 N 3.60 4.13 0.90 -0.68 2.96 -1.23 -2.97 118.68 125.39 2yug s LEU 117 Ca 0.52 0.22 -0.12 0.00 -0.22 0.00 0.00 54.13 54.54 2yug s LEU 117 Cb -0.19 -2.06 0.13 0.00 0.50 0.00 0.00 46.19 44.57 2yug s LEU 117 CO 0.14 0.21 1.11 0.00 -1.32 0.00 0.00 176.35 176.49 2yug s ALA 118 N 0.19 1.68 -0.23 5.97 0.00 -0.42 -2.82 121.76 126.13 2yug s ALA 118 Ca 0.08 -0.36 0.25 0.00 0.00 0.00 0.00 51.96 51.93 2yug s ALA 118 Cb -0.11 -3.09 1.19 0.00 0.00 0.00 0.00 23.12 21.11 2yug s ALA 118 CO -0.01 -2.28 1.75 1.03 0.00 0.00 0.00 175.76 176.25 2yug h SER 119 N -1.49 0.00 -0.57 0.00 0.87 -1.75 -1.82 113.55 108.80 2yug h SER 119 Ca -0.50 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 59.90 2yug h SER 119 Cb 1.31 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.18 2yug h SER 119 CO 0.59 0.00 0.20 -0.46 -0.53 0.00 0.00 176.83 176.63 2yug n ASN 120 N -2.35 4.23 -3.78 6.23 0.23 -1.26 -4.89 115.26 113.66 2yug n ASN 120 Ca -0.00 -2.91 -0.26 0.00 -0.53 0.00 0.00 54.58 50.87 2yug n ASN 120 Cb 0.13 -0.69 0.04 0.00 -2.08 0.00 0.00 39.78 37.18 2yug n ASN 120 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2yug n SER 121 N 0.00 -3.91 -3.68 0.53 7.64 -0.68 -4.98 113.62 108.54 2yug n SER 121 Ca 0.31 -0.74 -0.15 0.00 1.01 0.00 0.00 58.87 59.30 2yug n SER 121 Cb 1.14 -4.19 -0.14 0.00 -1.01 0.00 0.00 64.21 60.02 2yug n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yug n PHE 123 N 5.12 -2.18 -4.27 0.00 3.72 -1.09 -1.30 117.46 117.47 2yug n PHE 123 Ca -0.09 -0.38 -0.32 0.00 -0.05 0.00 0.00 57.45 56.61 2yug n PHE 123 Cb 0.50 -1.56 -0.09 0.00 -0.94 0.00 0.00 39.48 37.39 2yug n PHE 123 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2yug s ILE 124 N -2.29 4.15 -0.28 4.37 -4.36 -1.16 0.10 121.20 121.74 2yug s ILE 124 Ca 0.68 -0.64 -0.17 0.00 -0.26 0.00 0.00 60.65 60.25 2yug s ILE 124 Cb -0.21 -2.86 0.08 0.00 1.25 0.00 0.00 42.46 40.72 2yug s ILE 124 CO 0.63 0.35 0.71 -0.60 0.24 0.00 0.00 174.94 176.26 2yug s ARG 125 N -1.64 0.71 0.51 0.37 3.52 -0.69 -4.75 118.95 116.99 2yug s ARG 125 Ca 0.20 1.17 -0.05 0.00 -0.13 0.00 0.00 55.73 56.92 2yug s ARG 125 Cb -0.12 0.18 -0.02 0.00 -1.56 0.00 0.00 34.95 33.43 2yug s ARG 125 CO 0.11 -0.14 0.81 0.00 -0.81 0.00 0.00 175.30 175.28 2yug s ASN 127 N -4.17 4.96 0.52 0.00 0.01 0.27 -4.93 114.94 111.61 2yug s ASN 127 Ca 0.49 -0.27 0.18 0.00 -0.71 0.00 0.00 52.86 52.56 2yug s ASN 127 Cb -0.10 -1.14 1.30 0.00 0.41 0.00 0.00 41.25 41.72 2yug s ASN 127 CO 0.45 0.12 2.11 -0.33 -1.51 0.00 0.00 177.10 177.94 2yug h GLU 128 N 3.00 0.00 -0.27 -0.60 5.08 -1.99 -1.24 114.58 118.56 2yug h GLU 128 Ca -0.47 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.75 2yug h GLU 128 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2yug h GLU 128 CO 0.59 0.00 -0.39 0.00 -1.00 0.00 0.00 179.01 178.21 2yug h ALA 129 N 1.93 0.79 0.00 3.43 0.00 -2.01 -3.47 119.26 119.93 2yug h ALA 129 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2yug h ALA 129 Cb 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2yug h ALA 129 CO -0.00 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2yug n GLY 130 N 0.01 1.16 3.78 0.00 0.00 -0.47 -5.03 105.19 104.64 2yug n GLY 130 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.18 5.95 -0.24 1.61 1.11 -1.26 -3.11 116.67 120.56 2yug s ASP 131 Ca 0.00 2.10 -0.00 0.00 0.18 0.00 0.00 52.55 54.83 2yug s ASP 131 Cb 0.00 -2.58 0.07 0.00 1.07 0.00 0.00 42.92 41.48 2yug s ASP 131 CO 0.00 -1.06 -0.01 -0.63 1.18 0.00 0.00 175.17 174.66 2yug s ILE 132 N -1.82 1.20 0.42 0.77 1.01 -1.25 0.97 121.20 122.50 2yug s ILE 132 Ca 0.70 -1.10 0.06 0.00 0.00 0.00 0.00 60.65 60.31 2yug s ILE 132 Cb -0.22 -1.60 -0.07 0.00 0.01 0.00 0.00 42.46 40.58 2yug s ILE 132 CO 0.25 -0.22 0.01 -1.83 0.00 0.00 0.00 174.94 173.15 2yug s GLU 133 N 1.53 1.98 -0.05 2.79 -1.05 -0.96 -1.22 118.70 121.71 2yug s GLU 133 Ca -0.02 -2.14 -0.22 0.00 -0.15 0.00 0.00 54.97 52.44 2yug s GLU 133 Cb -0.18 -1.59 -0.04 0.00 -0.44 0.00 0.00 34.13 31.88 2yug s GLU 133 CO -0.09 -0.10 0.63 0.00 0.95 0.00 0.00 175.26 176.65 2yug s ALA 134 N -2.76 3.41 0.77 -0.84 0.00 -0.87 -1.71 121.76 119.77 2yug s ALA 134 Ca 0.31 0.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.22 2yug s ALA 134 Cb 0.09 -2.83 0.08 0.00 0.00 0.00 0.00 23.12 20.46 2yug s ALA 134 CO 0.16 0.01 1.12 0.15 0.00 0.00 0.00 175.76 177.19 2yug s LYS 135 N 0.42 1.97 1.40 0.00 -0.14 0.29 -4.87 119.74 118.81 2yug s LYS 135 Ca 0.33 -0.10 -0.23 0.00 -1.36 0.00 0.00 55.97 54.61 2yug s LYS 135 Cb -0.17 -2.04 0.36 0.00 -1.68 0.00 0.00 37.83 34.29 2yug s LYS 135 CO 0.17 -1.50 0.97 -1.71 -0.76 0.00 0.00 175.35 172.52 2yug n ASN 136 N -3.17 -3.39 0.17 2.83 5.15 -1.26 -2.67 115.26 112.91 2yug n ASN 136 Ca 0.09 -1.01 0.06 0.00 -0.60 0.00 0.00 54.58 53.12 2yug n ASN 136 Cb 0.61 -1.01 0.55 0.00 -0.53 0.00 0.00 39.78 39.40 2yug n ASN 136 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2yug h LYS 137 N 0.00 0.19 -6.56 1.20 1.57 -1.97 -3.30 116.57 107.70 2yug h LYS 137 Ca -0.41 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 57.83 2yug h LYS 137 Cb 1.32 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 33.61 2yug h LYS 137 CO 0.25 0.14 0.70 0.95 -0.57 0.00 0.00 179.45 180.93 2yug s THR 138 N -5.18 3.34 -0.38 -0.16 -4.23 -1.26 -4.85 115.64 102.93 2yug s THR 138 Ca -0.06 0.98 -0.07 0.00 -1.18 0.00 0.00 61.69 61.35 2yug s THR 138 Cb 0.17 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 70.44 2yug s THR 138 CO 0.69 0.08 0.18 0.00 -0.54 0.00 0.00 174.62 175.03 2yug s ALA 139 N 0.98 3.16 1.04 3.99 0.00 -1.26 -4.93 121.76 124.74 2yug s ALA 139 Ca 0.63 -1.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.47 2yug s ALA 139 Cb -0.36 -2.44 0.21 0.00 0.00 0.00 0.00 23.12 20.53 2yug s ALA 139 CO 0.31 -1.50 1.16 0.20 0.00 0.00 0.00 175.76 175.94 2yug s GLY 140 N 1.72 1.62 0.35 0.00 0.00 -1.26 -4.90 107.32 104.85 2yug s GLY 140 Ca 0.01 -0.82 0.08 0.00 0.00 0.00 0.00 44.72 43.98 2yug s GLY 140 CO 0.02 -0.09 1.84 0.83 0.00 0.00 0.00 173.10 175.70 2yug h GLU 141 N -1.98 0.29 0.01 2.90 4.39 -1.98 -2.89 114.58 115.33 2yug h GLU 141 Ca -0.47 -0.09 -0.28 0.00 0.34 0.00 0.00 59.36 58.86 2yug h GLU 141 Cb 1.30 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.87 2yug h GLU 141 CO 0.46 0.49 -1.56 1.05 -1.16 0.00 0.00 179.01 178.28 2yug h GLU 142 N 0.27 0.03 -0.09 2.33 4.11 -1.98 -3.32 114.58 115.94 2yug h GLU 142 Ca 0.05 -0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.45 2yug h GLU 142 Cb 0.50 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2yug h GLU 142 CO 0.03 0.67 0.08 0.93 0.07 0.00 0.00 179.01 180.80 2yug h GLU 143 N 0.01 0.00 -7.04 1.06 5.08 -1.86 -3.43 114.58 108.38 2yug h GLU 143 Ca -0.23 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.63 2yug h GLU 143 Cb 1.96 0.00 0.21 0.00 0.50 0.00 0.00 28.75 31.43 2yug h GLU 143 CO 0.10 0.00 -0.19 -1.33 -1.00 0.00 0.00 179.01 176.59 2yug n MET 144 N -4.03 -0.99 -4.45 2.33 2.81 -1.15 -4.82 117.12 106.82 2yug n MET 144 Ca -0.01 -0.24 -0.24 0.00 -1.81 0.00 0.00 57.70 55.40 2yug n MET 144 Cb 0.19 -2.12 -0.08 0.00 -0.71 0.00 0.00 33.22 30.50 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 -2.48 0.35 -0.29 2.02 -4.36 -0.50 -4.77 121.20 111.16 2yug s ILE 145 Ca 0.63 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 59.00 2yug s ILE 145 Cb -0.22 -2.35 0.10 0.00 1.25 0.00 0.00 42.46 41.24 2yug s ILE 145 CO 0.63 0.00 0.11 -0.54 0.24 0.00 0.00 174.94 175.38 2yug s LYS 146 N -3.58 0.39 -0.39 0.37 1.02 -0.76 -4.27 119.74 112.52 2yug s LYS 146 Ca 0.28 -0.71 -0.26 0.00 0.02 0.00 0.00 55.97 55.30 2yug s LYS 146 Cb 0.02 -1.52 0.02 0.00 -0.52 0.00 0.00 37.83 35.83 2yug s LYS 146 CO 0.19 -0.98 0.93 0.42 -0.92 0.00 0.00 175.35 174.99 2yug s ILE 147 N 1.92 4.56 -0.03 2.17 1.01 -1.26 -2.17 121.20 127.40 2yug s ILE 147 Ca 0.09 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2yug s ILE 147 Cb -0.16 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 2yug s ILE 147 CO -0.31 -0.59 0.01 -0.13 0.00 0.00 0.00 174.94 173.91 2yug s ARG 148 N 3.54 2.87 0.07 2.79 0.52 0.75 -2.14 118.95 127.34 2yug s ARG 148 Ca 0.38 -0.53 0.08 0.00 -0.52 0.00 0.00 55.73 55.15 2yug s ARG 148 Cb -0.12 -2.72 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 2yug s ARG 148 CO 0.20 0.66 -0.21 0.45 0.02 0.00 0.00 175.30 176.41 2yug s SER 149 N -1.31 3.59 -0.41 0.23 0.15 0.16 0.45 113.70 116.55 2yug s SER 149 Ca 0.17 -0.53 0.05 0.00 0.70 0.00 0.00 55.95 56.34 2yug s SER 149 Cb -0.11 -0.47 0.53 0.00 -1.71 0.00 0.00 66.02 64.26 2yug s SER 149 CO 0.07 0.23 1.66 0.00 1.20 0.00 0.00 173.24 176.41 2yug s ALA 151 N -3.43 3.32 -0.26 0.00 0.00 -1.26 -4.95 121.76 115.18 2yug s ALA 151 Ca 0.53 0.88 -0.28 0.00 0.00 0.00 0.00 51.96 53.09 2yug s ALA 151 Cb 0.45 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 2yug s ALA 151 CO 0.03 -0.23 1.89 -1.21 0.00 0.00 0.00 175.76 176.24 2yug s GLU 152 N -1.77 3.40 1.03 0.00 2.02 -1.26 -4.98 118.70 117.15 2yug s GLU 152 Ca 0.49 1.69 -0.17 0.00 0.02 0.00 0.00 54.97 57.00 2yug s GLU 152 Cb -0.30 -4.22 0.26 0.00 0.10 0.00 0.00 34.13 29.97 2yug s GLU 152 CO 0.39 -1.79 0.91 0.54 0.02 0.00 0.00 175.26 175.33 2yug n ARG 153 N 8.35 -2.83 -3.39 1.61 1.74 -1.26 -5.04 116.66 115.84 2yug n ARG 153 Ca 0.24 -1.46 -0.27 0.00 -0.77 0.00 0.00 57.85 55.59 2yug n ARG 153 Cb 0.46 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 30.43 2yug n ARG 153 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2yug n GLU 154 N -4.31 0.27 0.00 5.56 1.02 -1.26 -5.31 120.64 116.61 2yug n GLU 154 Ca 0.13 -3.21 0.14 0.00 -0.02 0.00 0.00 57.16 54.20 2yug n GLU 154 Cb 0.49 -1.66 0.58 0.00 -0.02 0.00 0.00 31.44 30.84 2yug n GLU 154 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94