#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 2.19 -4.60 1.61 3.41 -1.26 -4.92 113.62 110.06 2yug n SER 2 Ca 0.00 -0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 2yug n SER 2 Cb 0.00 0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 2yug n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yug s SER 3 N -4.68 6.44 0.32 4.04 0.01 -1.26 -4.97 113.70 113.61 2yug s SER 3 Ca -0.09 0.56 -0.07 0.00 1.31 0.00 0.00 55.95 57.66 2yug s SER 3 Cb 0.04 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.73 2yug s SER 3 CO 0.46 -1.40 0.51 -0.83 0.41 0.00 0.00 173.24 172.39 2yug s GLY 4 N 3.31 1.10 0.03 3.44 0.00 -1.26 -5.11 107.32 108.83 2yug s GLY 4 Ca 0.53 -1.26 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 2yug s GLY 4 CO 0.31 -0.83 -0.01 1.44 0.00 0.00 0.00 173.10 174.01 2yug n SER 5 N -1.12 0.46 -3.36 1.64 7.64 -1.26 -5.05 113.62 112.57 2yug n SER 5 Ca -0.01 0.06 -0.17 0.00 1.01 0.00 0.00 58.87 59.76 2yug n SER 5 Cb 0.62 -0.18 0.08 0.00 -1.01 0.00 0.00 64.21 63.72 2yug n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yug n SER 6 N -2.92 -2.73 -2.01 6.43 7.64 -1.26 -4.94 113.62 113.83 2yug n SER 6 Ca -0.01 -0.58 -0.24 0.00 1.01 0.00 0.00 58.87 59.05 2yug n SER 6 Cb 0.02 -4.93 0.03 0.00 -1.01 0.00 0.00 64.21 58.33 2yug n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yug n GLY 7 N -1.26 6.29 3.79 0.23 0.00 -1.26 -5.03 105.19 107.96 2yug n GLY 7 Ca -0.23 -2.57 -0.36 0.00 0.00 0.00 0.00 46.02 42.86 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 -3.62 4.12 0.47 0.99 0.20 -1.26 -5.10 118.68 114.48 2yug s LEU 8 Ca 0.52 0.33 -0.07 0.00 0.69 0.00 0.00 54.13 55.60 2yug s LEU 8 Cb 0.42 -2.00 -0.05 0.00 -0.43 0.00 0.00 46.19 44.14 2yug s LEU 8 CO 0.03 0.36 0.80 -0.62 -0.29 0.00 0.00 176.35 176.63 2yug s ASP 9 N -0.73 6.35 -0.11 3.68 2.15 -1.26 -5.00 116.67 121.74 2yug s ASP 9 Ca 0.13 1.03 -0.07 0.00 0.43 0.00 0.00 52.55 54.07 2yug s ASP 9 Cb -0.12 -2.29 0.04 0.00 -0.30 0.00 0.00 42.92 40.25 2yug s ASP 9 CO 0.03 -0.54 0.28 -0.51 -0.17 0.00 0.00 175.17 174.26 2yug s ILE 10 N -2.65 -0.02 -0.37 4.11 1.10 -1.26 -2.80 121.20 119.30 2yug s ILE 10 Ca 0.49 0.09 0.01 0.00 -0.51 0.00 0.00 60.65 60.73 2yug s ILE 10 Cb -0.10 -0.42 0.11 0.00 0.15 0.00 0.00 42.46 42.20 2yug s ILE 10 CO 0.41 0.04 0.15 -0.69 -2.11 0.00 0.00 174.94 172.74 2yug s VAL 11 N 0.91 1.32 0.00 4.00 1.01 0.82 -4.97 120.40 123.49 2yug s VAL 11 Ca -0.06 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 59.89 2yug s VAL 11 Cb -0.07 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2yug s VAL 11 CO -0.06 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 174.89 2yug n GLY 12 N 4.21 0.54 1.29 4.51 0.00 -1.26 -1.33 105.19 113.15 2yug n GLY 12 Ca 0.03 0.67 0.03 0.00 0.00 0.00 0.00 46.02 46.76 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 0.92 -4.19 -0.61 -5.35 -1.26 -5.05 119.36 103.82 2yug n ILE 13 Ca 0.00 -1.99 -0.18 0.00 -0.27 0.00 0.00 62.75 60.31 2yug n ILE 13 Cb 0.00 0.52 -0.15 0.00 -1.74 0.00 0.00 39.64 38.27 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 -1.45 0.63 -0.10 4.28 0.52 -0.44 -4.49 118.94 117.89 2yug s TRP 14 Ca 0.36 -0.14 0.04 0.00 0.02 0.00 0.00 56.10 56.37 2yug s TRP 14 Cb 0.38 -0.50 0.00 0.00 -1.15 0.00 0.00 33.47 32.20 2yug s TRP 14 CO -0.12 -0.09 -0.23 1.67 0.02 0.00 0.00 176.95 178.19 2yug s TRP 15 N 0.38 2.52 0.35 -1.98 1.48 -0.97 -0.13 118.94 120.59 2yug s TRP 15 Ca -0.05 -1.05 -0.28 0.00 -1.06 0.00 0.00 56.10 53.66 2yug s TRP 15 Cb -0.08 -1.69 -0.10 0.00 -1.16 0.00 0.00 33.47 30.43 2yug s TRP 15 CO -0.00 -0.43 1.31 0.99 -4.06 0.00 0.00 176.95 174.77 2yug s THR 16 N 0.39 2.67 0.43 0.66 2.01 -1.12 -1.03 115.64 119.64 2yug s THR 16 Ca -0.18 0.66 -0.21 0.00 0.31 0.00 0.00 61.69 62.26 2yug s THR 16 Cb -0.18 -3.41 -0.11 0.00 0.01 0.00 0.00 72.50 68.81 2yug s THR 16 CO 0.08 0.15 0.96 0.68 -0.69 0.00 0.00 174.62 175.80 2yug s VAL 17 N -1.16 4.31 -0.13 3.82 -7.23 -0.60 -4.71 120.40 114.69 2yug s VAL 17 Ca 0.51 1.47 0.08 0.00 -1.81 0.00 0.00 61.98 62.22 2yug s VAL 17 Cb -0.40 -3.61 -0.13 0.00 0.56 0.00 0.00 36.38 32.80 2yug s VAL 17 CO 0.53 -0.28 -0.01 -0.24 -0.31 0.00 0.00 175.10 174.79 2yug n SER 18 N -0.59 2.31 -3.90 4.85 2.88 -1.26 -4.93 113.62 112.98 2yug n SER 18 Ca 0.07 -0.02 -0.25 0.00 -1.33 0.00 0.00 58.87 57.33 2yug n SER 18 Cb 0.54 0.50 -0.08 0.00 -0.75 0.00 0.00 64.21 64.42 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 -4.73 2.69 0.12 -3.46 4.22 -1.26 -4.99 114.94 107.53 2yug s ASN 19 Ca -0.10 -1.74 -0.09 0.00 -2.14 0.00 0.00 52.86 48.79 2yug s ASN 19 Cb 0.04 0.60 -0.12 0.00 1.28 0.00 0.00 41.25 43.05 2yug s ASN 19 CO 0.44 -1.01 1.30 0.15 -2.04 0.00 0.00 177.10 175.95 2yug h PHE 20 N 1.79 0.85 -0.07 1.54 3.04 -1.97 -3.16 116.94 118.96 2yug h PHE 20 Ca -0.32 -0.42 0.02 0.00 3.98 0.00 0.00 57.97 61.23 2yug h PHE 20 Cb 1.27 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.66 2yug h PHE 20 CO 1.72 1.23 0.06 0.78 -2.02 0.00 0.00 178.31 180.08 2yug h GLY 21 N 0.84 0.00 2.00 2.40 0.00 -2.04 -0.85 103.07 105.42 2yug h GLY 21 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 2yug h GLY 21 CO 0.17 0.00 -0.68 0.83 0.00 0.00 0.00 176.54 176.86 2yug h GLU 22 N 0.00 0.00 -6.09 4.80 4.39 -1.97 -3.42 114.58 112.29 2yug h GLU 22 Ca 0.03 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.21 2yug h GLU 22 Cb 0.15 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 2yug h GLU 22 CO -0.00 0.68 1.31 0.42 -1.16 0.00 0.00 179.01 180.26 2yug s ILE 23 N -3.29 3.43 -0.28 3.13 1.01 -0.33 -4.91 121.20 119.97 2yug s ILE 23 Ca 0.00 0.32 -0.21 0.00 0.00 0.00 0.00 60.65 60.76 2yug s ILE 23 Cb 0.11 -3.94 0.10 0.00 0.01 0.00 0.00 42.46 38.74 2yug s ILE 23 CO 0.77 -0.84 0.85 -0.44 0.00 0.00 0.00 174.94 175.28 2yug s SER 24 N 7.23 -0.66 0.00 3.58 0.01 -1.26 -4.81 113.70 117.79 2yug s SER 24 Ca 0.68 1.18 0.00 0.00 1.31 0.00 0.00 55.95 59.12 2yug s SER 24 Cb -0.14 1.23 0.00 0.00 0.21 0.00 0.00 66.02 67.32 2yug s SER 24 CO 0.24 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2yug n GLY 25 N 3.12 -0.95 3.72 3.44 0.00 -1.24 -4.85 105.19 108.43 2yug n GLY 25 Ca -0.16 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 3.03 -0.00 2.61 2.01 -1.26 -0.17 115.64 121.85 2yug s THR 26 Ca 0.00 0.75 -0.08 0.00 0.31 0.00 0.00 61.69 62.67 2yug s THR 26 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.03 2yug s THR 26 CO 0.00 0.07 0.16 0.27 -0.69 0.00 0.00 174.62 174.42 2yug s ILE 27 N 0.96 0.08 0.08 1.82 -4.36 0.01 -2.93 121.20 116.87 2yug s ILE 27 Ca 0.65 -0.63 0.08 0.00 -0.26 0.00 0.00 60.65 60.48 2yug s ILE 27 Cb -0.39 -0.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.84 2yug s ILE 27 CO 0.32 -0.35 -0.16 0.00 0.24 0.00 0.00 174.94 174.99 2yug s ALA 28 N -1.31 2.71 0.12 2.27 0.00 0.20 -2.24 121.76 123.51 2yug s ALA 28 Ca -0.14 -1.26 0.10 0.00 0.00 0.00 0.00 51.96 50.67 2yug s ALA 28 Cb -0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 2yug s ALA 28 CO 0.02 0.59 -0.23 0.42 0.00 0.00 0.00 175.76 176.56 2yug s ILE 29 N -1.06 2.49 -0.29 0.00 1.01 -1.26 0.48 121.20 122.56 2yug s ILE 29 Ca 0.17 -1.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.16 2yug s ILE 29 Cb -0.11 -2.11 0.10 0.00 0.01 0.00 0.00 42.46 40.35 2yug s ILE 29 CO 0.09 0.11 0.10 -0.70 0.00 0.00 0.00 174.94 174.53 2yug s GLU 30 N -2.05 0.54 -0.07 2.79 2.12 -1.11 -4.22 118.70 116.70 2yug s GLU 30 Ca 0.15 -0.84 -0.25 0.00 0.36 0.00 0.00 54.97 54.40 2yug s GLU 30 Cb -0.10 -1.74 -0.26 0.00 0.26 0.00 0.00 34.13 32.29 2yug s GLU 30 CO 0.07 -0.96 0.95 0.52 -0.54 0.00 0.00 175.26 175.30 2yug h MET 31 N 8.20 0.16 -6.73 4.30 2.86 -1.86 -2.95 114.93 118.92 2yug h MET 31 Ca -0.16 -0.21 -0.48 0.00 -2.06 0.00 0.00 59.70 56.79 2yug h MET 31 Cb 1.02 0.07 0.04 0.00 0.06 0.00 0.00 31.60 32.79 2yug h MET 31 CO 0.45 1.00 -0.07 0.34 1.06 0.00 0.00 176.91 179.70 2yug s ASP 32 N -6.43 4.98 -1.09 1.22 2.15 -1.24 -4.81 116.67 111.44 2yug s ASP 32 Ca -0.16 -0.75 -0.21 0.00 0.43 0.00 0.00 52.55 51.86 2yug s ASP 32 Cb 0.00 0.21 0.07 0.00 -0.30 0.00 0.00 42.92 42.91 2yug s ASP 32 CO 0.75 -1.42 1.49 -0.75 -0.17 0.00 0.00 175.17 175.07 2yug s LYS 33 N -4.75 3.72 0.00 4.34 2.36 -1.26 -3.74 119.74 120.42 2yug s LYS 33 Ca 0.62 -1.50 0.00 0.00 -2.55 0.00 0.00 55.97 52.54 2yug s LYS 33 Cb -0.06 -5.34 0.00 0.00 -1.05 0.00 0.00 37.83 31.38 2yug s LYS 33 CO 0.40 -2.15 0.00 0.41 1.55 0.00 0.00 175.35 175.56 2yug n GLY 34 N 6.20 2.44 3.85 5.54 0.00 -1.26 -4.98 105.19 116.98 2yug n GLY 34 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.44 3.31 0.34 4.61 0.00 -1.25 -3.32 121.76 123.01 2yug s ALA 35 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.00 2yug s ALA 35 Cb 0.00 -2.78 -0.07 0.00 0.00 0.00 0.00 23.12 20.28 2yug s ALA 35 CO 0.00 0.21 0.04 0.71 0.00 0.00 0.00 175.76 176.72 2yug s TYR 36 N -2.13 2.10 -0.33 0.00 1.51 -1.26 -3.73 117.35 113.51 2yug s TYR 36 Ca 0.54 -0.88 -0.29 0.00 -1.01 0.00 0.00 57.07 55.43 2yug s TYR 36 Cb -0.10 -1.40 -0.00 0.00 -0.11 0.00 0.00 41.96 40.35 2yug s TYR 36 CO 0.22 0.13 1.41 0.42 -1.11 0.00 0.00 175.55 176.61 2yug s ILE 37 N -3.14 3.96 -0.09 2.71 1.01 -1.26 -0.35 121.20 124.04 2yug s ILE 37 Ca 0.36 1.05 -0.06 0.00 0.00 0.00 0.00 60.65 62.00 2yug s ILE 37 Cb 0.09 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2yug s ILE 37 CO 0.16 -0.55 0.16 -2.28 0.00 0.00 0.00 174.94 172.43 2yug s HIS 38 N 4.97 3.59 -0.14 3.97 2.46 0.43 -4.42 115.29 126.15 2yug s HIS 38 Ca 0.61 0.48 -0.05 0.00 0.47 0.00 0.00 55.06 56.58 2yug s HIS 38 Cb -0.17 -1.91 -0.03 0.00 -0.13 0.00 0.00 32.58 30.33 2yug s HIS 38 CO 0.28 0.71 0.02 0.00 -2.47 0.00 0.00 174.74 173.28 2yug s ALA 39 N -1.12 3.30 0.15 1.58 0.00 -1.26 -0.37 121.76 124.04 2yug s ALA 39 Ca 0.19 -0.78 -0.18 0.00 0.00 0.00 0.00 51.96 51.20 2yug s ALA 39 Cb -0.12 -1.68 -0.07 0.00 0.00 0.00 0.00 23.12 21.24 2yug s ALA 39 CO 0.08 0.36 0.61 -0.51 0.00 0.00 0.00 175.76 176.31 2yug s LEU 40 N -0.16 4.40 0.51 0.00 1.43 0.11 -4.92 118.68 120.04 2yug s LEU 40 Ca 0.06 1.25 0.17 0.00 -1.03 0.00 0.00 54.13 54.57 2yug s LEU 40 Cb -0.12 -3.27 1.25 0.00 0.03 0.00 0.00 46.19 44.08 2yug s LEU 40 CO 0.02 0.13 2.11 0.44 0.23 0.00 0.00 176.35 179.28 2yug h ASP 41 N 3.80 0.05 -0.55 2.29 5.19 -1.99 -1.46 116.42 123.75 2yug h ASP 41 Ca -0.49 -0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.85 2yug h ASP 41 Cb 1.20 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 2yug h ASP 41 CO 0.65 0.04 0.06 -1.13 -3.12 0.00 0.00 179.24 175.74 2yug h ASN 42 N 0.06 0.92 0.00 6.45 -1.24 -2.03 -3.47 115.58 116.28 2yug h ASN 42 Ca 0.07 -0.22 0.00 0.00 0.71 0.00 0.00 56.30 56.86 2yug h ASN 42 Cb 0.20 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.00 2yug h ASN 42 CO -0.01 0.94 0.00 0.61 -1.29 0.00 0.00 177.43 177.69 2yug n GLY 43 N -0.62 1.16 3.81 1.57 0.00 -0.55 -5.14 105.19 105.42 2yug n GLY 43 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 1.98 0.00 0.99 1.43 -1.26 -3.89 118.68 117.94 2yug s LEU 44 Ca 0.00 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 2yug s LEU 44 Cb 0.00 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2yug s LEU 44 CO 0.00 -3.34 -0.10 -0.36 0.23 0.00 0.00 176.35 172.78 2yug s PHE 45 N -3.61 0.85 0.09 0.29 0.40 -1.26 0.04 117.98 114.78 2yug s PHE 45 Ca 0.74 -0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.86 2yug s PHE 45 Cb -0.05 -0.54 -0.04 0.00 0.51 0.00 0.00 43.02 42.91 2yug s PHE 45 CO 0.54 -0.01 0.01 -0.08 0.70 0.00 0.00 175.22 176.39 2yug s THR 46 N -0.37 0.16 -0.00 0.64 -1.32 0.50 -4.07 115.64 111.18 2yug s THR 46 Ca 0.02 -1.85 -0.30 0.00 -1.21 0.00 0.00 61.69 58.35 2yug s THR 46 Cb -0.04 -1.77 -0.06 0.00 -1.51 0.00 0.00 72.50 69.11 2yug s THR 46 CO -0.00 -0.74 1.61 -0.22 -2.21 0.00 0.00 174.62 173.06 2yug s LEU 47 N -2.98 4.34 1.20 9.08 2.96 -1.26 -0.43 118.68 131.58 2yug s LEU 47 Ca 0.15 2.30 -0.20 0.00 -0.22 0.00 0.00 54.13 56.16 2yug s LEU 47 Cb 0.08 -3.55 0.29 0.00 0.50 0.00 0.00 46.19 43.51 2yug s LEU 47 CO -0.04 -0.88 1.14 -0.83 -1.32 0.00 0.00 176.35 174.42 2yug s GLY 48 N 2.79 1.62 -0.25 7.98 0.00 0.52 -4.79 107.32 115.19 2yug s GLY 48 Ca 0.72 -1.07 -0.21 0.00 0.00 0.00 0.00 44.72 44.16 2yug s GLY 48 CO 0.30 -0.16 0.66 0.00 0.00 0.00 0.00 173.10 173.90 2yug s ALA 49 N -3.14 3.62 0.51 3.20 0.00 -1.26 -4.46 121.76 120.22 2yug s ALA 49 Ca 0.72 -0.38 -0.21 0.00 0.00 0.00 0.00 51.96 52.09 2yug s ALA 49 Cb -0.07 -3.08 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 2yug s ALA 49 CO 0.55 -0.83 0.86 -2.30 0.00 0.00 0.00 175.76 174.05 2yug n PRO 50 N 5.76 0.98 -2.69 0.00 -0.02 -1.26 -4.79 135.00 132.99 2yug n PRO 50 Ca 0.01 0.36 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 2yug n PRO 50 Cb 0.49 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 2yug n PRO 50 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2yug s HIS 51 N -1.45 3.89 0.28 6.00 3.76 -1.21 -4.96 115.29 121.61 2yug s HIS 51 Ca 0.68 1.87 0.03 0.00 -0.15 0.00 0.00 55.06 57.49 2yug s HIS 51 Cb -0.49 -3.05 0.42 0.00 1.11 0.00 0.00 32.58 30.57 2yug s HIS 51 CO 0.53 0.22 1.73 0.07 -0.85 0.00 0.00 174.74 176.45 2yug h ARG 52 N 4.07 0.48 -6.34 1.40 0.11 -1.96 -3.44 114.38 108.72 2yug h ARG 52 Ca -0.45 -0.18 -0.51 0.00 0.10 0.00 0.00 59.98 58.94 2yug h ARG 52 Cb 1.20 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 2yug h ARG 52 CO 0.68 0.69 -0.28 -1.21 0.10 0.00 0.00 179.97 179.95 2yug s GLU 53 N -4.53 3.52 -0.14 0.08 0.41 -1.26 -5.04 118.70 111.74 2yug s GLU 53 Ca -0.07 -0.33 -0.25 0.00 -0.41 0.00 0.00 54.97 53.91 2yug s GLU 53 Cb 0.14 -2.77 -0.23 0.00 -1.78 0.00 0.00 34.13 29.49 2yug s GLU 53 CO 0.79 0.31 0.66 0.28 -0.49 0.00 0.00 175.26 176.80 2yug h VAL 54 N 1.27 1.55 -2.37 2.63 2.07 -2.04 -3.39 116.25 115.97 2yug h VAL 54 Ca -0.49 -2.18 -0.75 0.00 0.82 0.00 0.00 66.70 64.10 2yug h VAL 54 Cb 1.20 2.95 -0.19 0.00 -1.52 0.00 0.00 31.29 33.73 2yug h VAL 54 CO 0.65 0.53 1.23 -0.90 0.02 0.00 0.00 177.57 179.10 2yug n ASP 55 N -4.62 5.27 -3.91 0.57 5.75 -1.26 -4.80 116.55 113.55 2yug n ASP 55 Ca -0.10 -2.99 -0.21 0.00 -0.01 0.00 0.00 54.79 51.49 2yug n ASP 55 Cb 0.43 -1.54 -0.09 0.00 -1.03 0.00 0.00 41.12 38.89 2yug n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2yug s GLU 56 N 1.12 1.71 0.12 0.11 2.12 -1.26 -4.62 118.70 118.00 2yug s GLU 56 Ca 0.41 -1.99 0.07 0.00 0.36 0.00 0.00 54.97 53.82 2yug s GLU 56 Cb -0.04 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.16 2yug s GLU 56 CO -0.01 -0.49 -0.10 0.20 -0.54 0.00 0.00 175.26 174.32 2yug s GLY 57 N -3.43 1.78 0.78 -1.50 0.00 -1.26 -4.59 107.32 99.10 2yug s GLY 57 Ca 0.34 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.66 2yug s GLY 57 CO 0.19 -1.28 1.09 2.56 0.00 0.00 0.00 173.10 175.65 2yug s PRO 58 N -2.36 2.16 0.76 2.90 0.04 -1.26 -5.03 135.00 132.20 2yug s PRO 58 Ca 0.22 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 2yug s PRO 58 Cb -0.11 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.59 2yug s PRO 58 CO 0.14 -1.69 1.08 -1.12 0.04 0.00 0.00 177.00 175.45 2yug s SER 59 N -3.42 4.82 0.19 6.66 0.01 -1.26 -4.80 113.70 115.90 2yug s SER 59 Ca 0.61 1.46 -0.13 0.00 1.31 0.00 0.00 55.95 59.21 2yug s SER 59 Cb -0.17 -2.25 0.21 0.00 0.21 0.00 0.00 66.02 64.02 2yug s SER 59 CO 0.56 -1.78 1.69 -0.65 0.41 0.00 0.00 173.24 173.47 2yug h PRO 60 N -0.96 0.16 0.00 12.44 0.11 -1.96 -0.26 132.00 141.54 2yug h PRO 60 Ca -0.46 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 2yug h PRO 60 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2yug h PRO 60 CO 0.58 0.11 -0.27 -1.00 -0.21 0.00 0.00 178.00 177.20 2yug h PRO 61 N 0.16 0.00 0.01 1.05 0.13 -1.93 -3.05 132.00 128.38 2yug h PRO 61 Ca 0.27 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.20 2yug h PRO 61 Cb 0.39 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 2yug h PRO 61 CO -0.40 0.27 -0.89 0.93 -0.23 0.00 0.00 178.00 177.69 2yug h GLU 62 N 0.00 0.08 -6.73 0.86 5.08 -1.46 -3.33 114.58 109.08 2yug h GLU 62 Ca -0.00 -0.10 -0.53 0.00 -1.00 0.00 0.00 59.36 57.73 2yug h GLU 62 Cb 0.83 0.03 0.06 0.00 0.50 0.00 0.00 28.75 30.17 2yug h GLU 62 CO 0.04 0.91 0.78 -0.65 -1.00 0.00 0.00 179.01 179.08 2yug s GLN 63 N -3.08 4.25 0.40 2.33 -0.21 -0.22 -4.76 119.66 118.36 2yug s GLN 63 Ca -0.01 2.32 0.07 0.00 0.02 0.00 0.00 55.36 57.76 2yug s GLN 63 Cb 0.10 -3.11 -0.08 0.00 1.00 0.00 0.00 33.01 30.93 2yug s GLN 63 CO 0.81 -0.45 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.46 2yug s PHE 64 N 0.12 2.50 -0.05 0.91 0.08 -0.95 -2.44 117.98 118.15 2yug s PHE 64 Ca 0.61 -0.64 0.03 0.00 0.12 0.00 0.00 56.93 57.05 2yug s PHE 64 Cb -0.42 -1.71 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 2yug s PHE 64 CO 0.42 0.47 -0.13 0.99 -0.10 0.00 0.00 175.22 176.87 2yug s THR 65 N -2.69 1.19 0.19 0.64 2.01 0.22 -0.81 115.64 116.40 2yug s THR 65 Ca 0.35 -0.54 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 2yug s THR 65 Cb 0.09 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 2yug s THR 65 CO 0.18 0.36 0.38 0.00 -0.69 0.00 0.00 174.62 174.85 2yug s ALA 66 N 0.41 3.84 -0.24 7.40 0.00 0.76 -0.47 121.76 133.46 2yug s ALA 66 Ca -0.10 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 2yug s ALA 66 Cb -0.14 -1.98 0.13 0.00 0.00 0.00 0.00 23.12 21.13 2yug s ALA 66 CO 0.03 0.45 0.41 0.08 0.00 0.00 0.00 175.76 176.73 2yug s VAL 67 N -1.85 -0.65 0.28 0.00 1.01 -1.17 -3.59 120.40 114.43 2yug s VAL 67 Ca 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 2yug s VAL 67 Cb -0.11 -0.79 -0.10 0.00 0.00 0.00 0.00 36.38 35.38 2yug s VAL 67 CO 0.29 -0.06 1.35 -0.54 0.00 0.00 0.00 175.10 176.14 2yug s LYS 68 N 2.59 4.33 0.02 2.72 1.02 -1.26 -2.07 119.74 127.09 2yug s LYS 68 Ca 0.09 2.22 0.00 0.00 0.02 0.00 0.00 55.97 58.31 2yug s LYS 68 Cb -0.14 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 2yug s LYS 68 CO -0.15 -0.28 0.00 1.28 -0.92 0.00 0.00 175.35 175.28 2yug n LEU 69 N 1.62 0.19 0.00 3.17 4.77 -0.73 -4.97 117.00 121.05 2yug n LEU 69 Ca 0.03 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2yug n LEU 69 Cb 0.41 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2yug n LEU 69 CO 0.59 -0.55 0.00 -0.24 -1.33 0.00 0.00 177.39 175.86 2yug n SER 70 N -2.70 0.00 -3.03 -1.43 2.88 -1.25 -4.98 113.62 103.12 2yug n SER 70 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2yug n SER 70 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 2yug n SER 70 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2yug n ASP 71 N 0.00 -5.66 -3.47 -3.46 8.00 -1.26 -1.77 116.55 108.94 2yug n ASP 71 Ca 0.00 -0.28 -0.20 0.00 0.71 0.00 0.00 54.79 55.02 2yug n ASP 71 Cb 0.00 -4.60 0.08 0.00 -0.02 0.00 0.00 41.12 36.58 2yug n ASP 71 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2yug n SER 72 N -2.44 -4.42 -4.14 -2.24 7.64 -1.26 -4.99 113.62 101.76 2yug n SER 72 Ca -0.11 -0.56 -0.33 0.00 1.01 0.00 0.00 58.87 58.88 2yug n SER 72 Cb 0.61 -4.98 -0.15 0.00 -1.01 0.00 0.00 64.21 58.68 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 -5.87 2.83 -0.03 1.43 1.81 -0.73 -4.38 118.95 114.02 2yug s ARG 73 Ca 0.32 -0.95 0.02 0.00 -1.72 0.00 0.00 55.73 53.39 2yug s ARG 73 Cb -0.14 -2.76 -0.03 0.00 -0.45 0.00 0.00 34.95 31.57 2yug s ARG 73 CO 0.71 -0.32 -0.05 0.96 -0.68 0.00 0.00 175.30 175.92 2yug s ILE 74 N 1.27 3.78 -0.24 1.52 -4.36 -0.34 -1.77 121.20 121.06 2yug s ILE 74 Ca 0.01 -0.60 -0.09 0.00 -0.26 0.00 0.00 60.65 59.71 2yug s ILE 74 Cb -0.15 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 40.91 2yug s ILE 74 CO -0.09 0.49 0.12 0.00 0.24 0.00 0.00 174.94 175.70 2yug s ALA 75 N -0.93 3.43 0.15 2.27 0.00 -0.88 -2.20 121.76 123.60 2yug s ALA 75 Ca 0.15 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 2yug s ALA 75 Cb -0.11 -2.22 -0.07 0.00 0.00 0.00 0.00 23.12 20.72 2yug s ALA 75 CO 0.05 -0.29 0.98 -0.51 0.00 0.00 0.00 175.76 175.99 2yug s LEU 76 N 1.24 4.53 -0.16 0.00 1.43 -1.26 -3.02 118.68 121.44 2yug s LEU 76 Ca 0.06 1.87 0.01 0.00 -1.03 0.00 0.00 54.13 55.04 2yug s LEU 76 Cb -0.14 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.50 2yug s LEU 76 CO 0.05 -0.04 -0.18 -0.75 0.23 0.00 0.00 176.35 175.66 2yug s LYS 77 N -0.30 2.77 0.67 1.70 2.20 0.38 -1.02 119.74 126.14 2yug s LYS 77 Ca 0.46 -0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 55.18 2yug s LYS 77 Cb -0.25 -2.39 0.01 0.00 -1.51 0.00 0.00 37.83 33.69 2yug s LYS 77 CO 0.31 -0.18 1.12 -1.54 -0.36 0.00 0.00 175.35 174.70 2yug s SER 78 N 1.26 4.98 0.53 1.43 1.04 0.27 -0.61 113.70 122.60 2yug s SER 78 Ca 0.03 2.03 0.19 0.00 0.48 0.00 0.00 55.95 58.68 2yug s SER 78 Cb -0.13 -2.55 1.39 0.00 0.10 0.00 0.00 66.02 64.82 2yug s SER 78 CO -0.10 -1.72 2.15 1.23 0.98 0.00 0.00 173.24 175.78 2yug h GLY 79 N -0.06 0.00 1.36 7.32 0.00 -1.59 -1.68 103.07 108.42 2yug h GLY 79 Ca -0.47 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 2yug h GLY 79 CO 0.53 0.00 -0.08 -0.97 0.00 0.00 0.00 176.54 176.03 2yug h TYR 80 N 0.00 0.84 0.00 5.60 0.05 -1.86 -3.47 116.97 118.13 2yug h TYR 80 Ca 0.02 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2yug h TYR 80 Cb 0.10 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.62 2yug h TYR 80 CO 0.00 0.82 0.00 0.41 -1.05 0.00 0.00 178.16 178.34 2yug n GLY 81 N -0.51 0.78 3.22 3.88 0.00 -0.63 -5.16 105.19 106.77 2yug n GLY 81 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 1.06 -0.22 1.61 1.02 -1.24 -4.92 119.74 117.04 2yug s LYS 82 Ca 0.00 -1.51 -0.09 0.00 0.02 0.00 0.00 55.97 54.40 2yug s LYS 82 Cb 0.00 -0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.10 2yug s LYS 82 CO 0.00 -0.15 0.11 0.71 -0.92 0.00 0.00 175.35 175.10 2yug s TYR 83 N -3.73 3.23 0.12 3.18 2.02 -1.11 0.97 117.35 122.03 2yug s TYR 83 Ca 0.23 0.02 -0.31 0.00 -0.37 0.00 0.00 57.07 56.64 2yug s TYR 83 Cb 0.06 -2.20 -0.09 0.00 -0.40 0.00 0.00 41.96 39.33 2yug s TYR 83 CO 0.03 -0.02 1.61 -0.51 -1.57 0.00 0.00 175.55 175.09 2yug s LEU 84 N 1.00 4.37 0.03 -1.29 1.43 -0.19 -4.15 118.68 119.88 2yug s LEU 84 Ca 0.05 2.56 -0.07 0.00 -1.03 0.00 0.00 54.13 55.65 2yug s LEU 84 Cb -0.14 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.50 2yug s LEU 84 CO 0.03 -0.86 0.12 -0.83 0.23 0.00 0.00 176.35 175.05 2yug s GLY 85 N 1.76 0.11 0.19 -3.19 0.00 0.12 -4.39 107.32 101.91 2yug s GLY 85 Ca 0.72 -0.37 -0.18 0.00 0.00 0.00 0.00 44.72 44.89 2yug s GLY 85 CO 0.32 -0.51 0.66 -0.26 0.00 0.00 0.00 173.10 173.30 2yug s ILE 86 N -2.18 4.68 0.85 0.90 -4.36 -1.07 -0.86 121.20 119.16 2yug s ILE 86 Ca -0.08 1.11 -0.11 0.00 -0.26 0.00 0.00 60.65 61.31 2yug s ILE 86 Cb -0.03 -3.81 0.15 0.00 1.25 0.00 0.00 42.46 40.01 2yug s ILE 86 CO -0.02 0.23 1.18 0.20 0.24 0.00 0.00 174.94 176.77 2yug s ASN 87 N -1.66 3.81 0.19 4.36 0.01 0.71 -4.87 114.94 117.48 2yug s ASN 87 Ca 0.41 0.20 0.06 0.00 -0.71 0.00 0.00 52.86 52.81 2yug s ASN 87 Cb -0.16 -0.46 0.07 0.00 0.41 0.00 0.00 41.25 41.11 2yug s ASN 87 CO 0.20 -2.27 1.43 -1.28 -1.51 0.00 0.00 177.10 173.68 2yug h SER 88 N -1.16 0.13 -0.04 -1.22 0.87 -1.98 -3.29 113.55 106.86 2yug h SER 88 Ca -0.43 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 59.93 2yug h SER 88 Cb 1.26 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2yug h SER 88 CO 0.45 0.89 -0.36 -0.78 -0.53 0.00 0.00 176.83 176.49 2yug h ASP 89 N 0.06 0.38 0.00 6.23 3.58 -2.05 -3.48 116.42 121.15 2yug h ASP 89 Ca -0.02 -0.70 0.00 0.00 0.42 0.00 0.00 57.03 56.72 2yug h ASP 89 Cb 1.42 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2yug h ASP 89 CO 0.12 1.03 0.00 0.61 -2.88 0.00 0.00 179.24 178.12 2yug n GLY 90 N 0.87 -0.16 3.09 -0.78 0.00 -1.24 -5.11 105.19 101.86 2yug n GLY 90 Ca -0.09 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 1.58 -0.70 0.99 2.96 -1.26 -4.17 118.68 118.08 2yug s LEU 91 Ca 0.00 -0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 53.54 2yug s LEU 91 Cb 0.00 0.63 0.11 0.00 0.50 0.00 0.00 46.19 47.43 2yug s LEU 91 CO 0.00 -0.34 0.86 -0.69 -1.32 0.00 0.00 176.35 174.86 2yug s VAL 92 N -1.26 4.77 0.53 1.68 1.01 0.19 -0.21 120.40 127.12 2yug s VAL 92 Ca -0.14 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 60.76 2yug s VAL 92 Cb -0.07 -4.59 0.03 0.00 0.00 0.00 0.00 36.38 31.74 2yug s VAL 92 CO 0.01 -1.27 0.37 0.68 0.00 0.00 0.00 175.10 174.89 2yug s VAL 93 N 2.73 1.68 -0.36 2.92 -7.23 -0.04 -4.46 120.40 115.64 2yug s VAL 93 Ca 0.19 -1.52 0.06 0.00 -1.81 0.00 0.00 61.98 58.90 2yug s VAL 93 Cb -0.17 -2.20 0.18 0.00 0.56 0.00 0.00 36.38 34.74 2yug s VAL 93 CO 0.02 0.00 0.53 -0.83 -0.31 0.00 0.00 175.10 174.51 2yug s GLY 94 N -4.24 -0.88 -0.29 2.32 0.00 -1.25 0.12 107.32 103.10 2yug s GLY 94 Ca 0.33 0.11 0.13 0.00 0.00 0.00 0.00 44.72 45.29 2yug s GLY 94 CO 0.20 3.36 1.43 -0.96 0.00 0.00 0.00 173.10 177.14 2yug n ARG 95 N 4.72 1.26 -3.96 2.90 1.85 -1.26 -4.83 116.66 117.34 2yug n ARG 95 Ca 0.08 -1.52 -0.25 0.00 -1.00 0.00 0.00 57.85 55.16 2yug n ARG 95 Cb 0.53 0.15 -0.17 0.00 -1.05 0.00 0.00 32.46 31.91 2yug n ARG 95 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2yug s SER 96 N -1.50 1.82 0.28 2.89 0.15 -1.26 -5.01 113.70 111.06 2yug s SER 96 Ca 0.11 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.58 2yug s SER 96 Cb 0.39 -0.68 0.40 0.00 -1.71 0.00 0.00 66.02 64.42 2yug s SER 96 CO -0.11 -0.12 1.68 0.44 1.20 0.00 0.00 173.24 176.34 2yug h ASP 97 N 7.98 0.36 -3.71 5.45 5.19 -1.91 -2.93 116.42 126.86 2yug h ASP 97 Ca -0.28 -0.15 -0.43 0.00 -0.62 0.00 0.00 57.03 55.56 2yug h ASP 97 Cb 1.14 -0.10 0.18 0.00 0.18 0.00 0.00 39.33 40.73 2yug h ASP 97 CO 0.38 0.72 0.26 0.00 -3.12 0.00 0.00 179.24 177.48 2yug s ALA 98 N -4.23 1.32 -0.43 3.45 0.00 -1.26 -4.81 121.76 115.79 2yug s ALA 98 Ca -0.06 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.82 2yug s ALA 98 Cb 0.13 -2.82 0.15 0.00 0.00 0.00 0.00 23.12 20.59 2yug s ALA 98 CO 0.79 -3.13 0.30 0.42 0.00 0.00 0.00 175.76 174.13 2yug s ILE 99 N -3.42 0.82 0.60 0.00 1.01 -1.26 -4.76 121.20 114.19 2yug s ILE 99 Ca 0.73 -2.54 -0.01 0.00 0.00 0.00 0.00 60.65 58.83 2yug s ILE 99 Cb -0.06 -1.57 0.12 0.00 0.01 0.00 0.00 42.46 40.96 2yug s ILE 99 CO 0.55 -1.06 0.82 0.61 0.00 0.00 0.00 174.94 175.86 2yug n GLY 100 N 3.26 0.55 0.29 6.18 0.00 -1.26 -4.86 105.19 109.35 2yug n GLY 100 Ca 0.19 -2.00 0.06 0.00 0.00 0.00 0.00 46.02 44.26 2yug n GLY 100 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2yug h PRO 101 N 0.00 0.54 -0.09 1.61 0.11 -2.00 0.75 132.00 132.92 2yug h PRO 101 Ca -0.27 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 2yug h PRO 101 Cb 0.98 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 2yug h PRO 101 CO 0.28 0.36 0.05 0.00 -0.21 0.00 0.00 178.00 178.48 2yug h ARG 102 N 0.56 0.12 0.00 1.05 -0.00 -1.93 -1.02 114.38 113.15 2yug h ARG 102 Ca 0.43 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.98 59.83 2yug h ARG 102 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.53 2yug h ARG 102 CO -0.36 0.08 -0.52 0.93 0.00 0.00 0.00 179.97 180.10 2yug h GLU 103 N 0.12 0.00 -7.18 0.04 3.07 -1.10 -2.84 114.58 106.69 2yug h GLU 103 Ca 0.03 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.37 2yug h GLU 103 Cb -0.00 0.00 0.13 0.00 -0.84 0.00 0.00 28.75 28.04 2yug h GLU 103 CO -0.01 0.30 0.39 -0.65 -1.40 0.00 0.00 179.01 177.65 2yug s GLN 104 N -3.06 2.43 -0.04 2.33 -0.21 -0.39 -4.40 119.66 116.33 2yug s GLN 104 Ca 0.04 1.65 -0.03 0.00 0.02 0.00 0.00 55.36 57.04 2yug s GLN 104 Cb 0.07 -1.88 0.01 0.00 1.00 0.00 0.00 33.01 32.22 2yug s GLN 104 CO 0.74 -1.59 0.09 -1.58 -2.12 0.00 0.00 175.29 170.83 2yug s TRP 105 N -2.06 -0.09 -0.32 0.91 0.52 -0.93 -3.99 118.94 112.97 2yug s TRP 105 Ca 0.72 0.25 0.03 0.00 0.02 0.00 0.00 56.10 57.13 2yug s TRP 105 Cb -0.26 -0.01 0.09 0.00 -1.15 0.00 0.00 33.47 32.14 2yug s TRP 105 CO 0.43 -0.07 0.04 -2.00 0.02 0.00 0.00 176.95 175.37 2yug s GLU 106 N 0.31 1.44 1.13 4.98 2.12 -0.84 -1.20 118.70 126.65 2yug s GLU 106 Ca -0.02 -1.66 -0.18 0.00 0.36 0.00 0.00 54.97 53.47 2yug s GLU 106 Cb -0.03 -2.96 0.14 0.00 0.26 0.00 0.00 34.13 31.53 2yug s GLU 106 CO -0.01 -0.89 0.12 -2.30 -0.54 0.00 0.00 175.26 171.63 2yug n PRO 107 N 4.38 -1.91 -3.30 4.30 -0.02 -1.26 -2.40 135.00 134.79 2yug n PRO 107 Ca 0.01 -0.55 -0.09 0.00 -2.02 0.00 0.00 63.50 60.85 2yug n PRO 107 Cb 0.42 -1.70 -0.05 0.00 -0.02 0.00 0.00 33.50 32.14 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 -2.22 -0.63 -0.27 -1.45 1.01 0.83 -4.74 120.40 112.93 2yug s VAL 108 Ca 0.55 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 2yug s VAL 108 Cb -0.12 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 2yug s VAL 108 CO 0.62 -0.31 0.19 -0.36 0.00 0.00 0.00 175.10 175.24 2yug s PHE 109 N 2.17 3.23 -0.08 5.22 0.08 -1.26 -1.66 117.98 125.68 2yug s PHE 109 Ca 0.12 0.14 -0.03 0.00 0.12 0.00 0.00 56.93 57.28 2yug s PHE 109 Cb -0.12 -2.37 0.04 0.00 -0.57 0.00 0.00 43.02 40.01 2yug s PHE 109 CO -0.20 -0.13 0.14 -1.14 -0.10 0.00 0.00 175.22 173.80 2yug s GLN 110 N 1.66 0.03 -1.58 0.44 0.74 -1.18 -4.85 119.66 114.91 2yug s GLN 110 Ca 0.07 0.51 -0.02 0.00 0.05 0.00 0.00 55.36 55.97 2yug s GLN 110 Cb -0.16 -0.29 0.01 0.00 1.10 0.00 0.00 33.01 33.67 2yug s GLN 110 CO 0.10 -0.29 0.18 -0.25 -0.55 0.00 0.00 175.29 174.49 2yug n ASP 111 N 5.14 -5.53 0.00 6.67 8.00 -1.26 -1.15 116.55 128.42 2yug n ASP 111 Ca -0.08 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2yug n ASP 111 Cb 0.50 -4.57 0.00 0.00 -0.02 0.00 0.00 41.12 37.03 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 -1.12 2.94 3.19 0.44 0.00 -1.26 -5.04 105.19 104.33 2yug n GLY 112 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.11 -4.84 -3.63 1.61 4.01 -0.30 -5.04 118.16 109.87 2yug n LYS 113 Ca 0.00 -1.44 -0.02 0.00 -0.51 0.00 0.00 58.31 56.33 2yug n LYS 113 Cb 0.00 -1.90 -0.06 0.00 -0.51 0.00 0.00 35.03 32.56 2yug n LYS 113 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2yug s MET 114 N -5.04 0.40 0.03 1.97 0.23 -1.25 -3.10 119.30 112.54 2yug s MET 114 Ca 0.66 0.71 -0.06 0.00 -1.03 0.00 0.00 55.69 55.98 2yug s MET 114 Cb -0.12 0.12 -0.01 0.00 -1.53 0.00 0.00 34.83 33.29 2yug s MET 114 CO 0.56 -0.09 0.10 0.00 -2.03 0.00 0.00 175.02 173.56 2yug s ALA 115 N 1.47 -0.13 -0.36 3.16 0.00 -0.67 -2.41 121.76 122.81 2yug s ALA 115 Ca -0.09 -0.44 -0.13 0.00 0.00 0.00 0.00 51.96 51.31 2yug s ALA 115 Cb -0.04 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2yug s ALA 115 CO -0.16 -0.28 0.24 -1.17 0.00 0.00 0.00 175.76 174.39 2yug s LEU 116 N -1.90 4.69 -0.23 0.00 2.96 -1.26 -0.12 118.68 122.82 2yug s LEU 116 Ca -0.08 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 52.98 2yug s LEU 116 Cb -0.03 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2yug s LEU 116 CO -0.03 -0.33 0.40 -0.22 -1.32 0.00 0.00 176.35 174.86 2yug s LEU 117 N 1.67 4.11 0.94 -0.68 2.96 -1.01 -2.42 118.68 124.25 2yug s LEU 117 Ca 0.05 0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 54.28 2yug s LEU 117 Cb -0.18 -2.50 0.15 0.00 0.50 0.00 0.00 46.19 44.16 2yug s LEU 117 CO 0.09 -0.12 1.11 0.00 -1.32 0.00 0.00 176.35 176.11 2yug s ALA 118 N 1.61 1.46 -1.03 5.97 0.00 -0.07 -1.98 121.76 127.72 2yug s ALA 118 Ca 0.18 -0.40 0.17 0.00 0.00 0.00 0.00 51.96 51.92 2yug s ALA 118 Cb -0.15 -3.08 0.75 0.00 0.00 0.00 0.00 23.12 20.64 2yug s ALA 118 CO 0.08 -2.47 1.55 0.45 0.00 0.00 0.00 175.76 175.38 2yug n SER 119 N -3.91 0.00 -1.76 0.00 2.88 -1.26 -2.64 113.62 106.94 2yug n SER 119 Ca 0.06 0.47 -0.04 0.00 -1.33 0.00 0.00 58.87 58.03 2yug n SER 119 Cb 0.58 -0.48 0.25 0.00 -0.75 0.00 0.00 64.21 63.81 2yug n SER 119 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2yug n ASN 120 N -1.48 4.31 -3.40 -3.46 0.23 -1.26 -4.89 115.26 105.31 2yug n ASN 120 Ca 0.04 -2.95 -0.24 0.00 -0.53 0.00 0.00 54.58 50.90 2yug n ASN 120 Cb 0.20 -0.70 0.05 0.00 -2.08 0.00 0.00 39.78 37.25 2yug n ASN 120 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2yug n SER 121 N -0.02 -5.81 -3.72 0.53 2.88 -1.08 -4.98 113.62 101.42 2yug n SER 121 Ca 0.32 -0.46 -0.12 0.00 -1.33 0.00 0.00 58.87 57.27 2yug n SER 121 Cb 1.18 -4.64 -0.13 0.00 -0.75 0.00 0.00 64.21 59.86 2yug n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yug s PHE 123 N 1.31 -0.33 -0.09 0.00 0.08 -1.21 -0.89 117.98 116.85 2yug s PHE 123 Ca -0.09 0.45 -0.03 0.00 0.12 0.00 0.00 56.93 57.38 2yug s PHE 123 Cb -0.10 -3.21 -0.03 0.00 -0.57 0.00 0.00 43.02 39.10 2yug s PHE 123 CO -0.09 -4.56 0.03 0.96 -0.10 0.00 0.00 175.22 171.47 2yug s ILE 124 N -2.67 4.60 -0.18 0.64 -4.36 -1.02 -2.59 121.20 115.62 2yug s ILE 124 Ca 0.71 -0.14 -0.13 0.00 -0.26 0.00 0.00 60.65 60.82 2yug s ILE 124 Cb -0.10 -2.95 0.05 0.00 1.25 0.00 0.00 42.46 40.72 2yug s ILE 124 CO 0.56 0.61 0.47 -0.60 0.24 0.00 0.00 174.94 176.22 2yug s ARG 125 N -0.91 0.50 0.33 0.37 3.52 -0.70 -4.80 118.95 117.26 2yug s ARG 125 Ca 0.14 0.77 -0.05 0.00 -0.13 0.00 0.00 55.73 56.46 2yug s ARG 125 Cb -0.11 0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 33.36 2yug s ARG 125 CO 0.03 -0.11 0.60 0.00 -0.81 0.00 0.00 175.30 175.00 2yug s ASN 127 N -3.38 5.32 0.17 0.00 0.01 -1.21 -4.93 114.94 110.92 2yug s ASN 127 Ca 0.44 -0.54 0.05 0.00 -0.71 0.00 0.00 52.86 52.10 2yug s ASN 127 Cb -0.10 -0.83 -0.02 0.00 0.41 0.00 0.00 41.25 40.71 2yug s ASN 127 CO 0.32 -0.50 1.38 -0.33 -1.51 0.00 0.00 177.10 176.46 2yug h GLU 128 N 1.08 0.12 -0.04 -0.60 4.39 -1.99 -3.30 114.58 114.23 2yug h GLU 128 Ca -0.43 -0.14 -0.12 0.00 0.34 0.00 0.00 59.36 59.01 2yug h GLU 128 Cb 1.26 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.96 2yug h GLU 128 CO 0.56 0.92 -0.46 0.00 -1.16 0.00 0.00 179.01 178.88 2yug h ALA 129 N 1.03 0.11 0.00 3.43 0.00 -2.02 -3.48 119.26 118.33 2yug h ALA 129 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2yug h ALA 129 Cb 1.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2yug h ALA 129 CO 0.13 0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2yug n GLY 130 N 0.89 0.23 2.61 0.00 0.00 -1.24 -4.94 105.19 102.73 2yug n GLY 130 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.27 3.69 -0.51 1.61 1.01 -1.26 -4.48 116.67 116.46 2yug s ASP 131 Ca 0.00 -1.51 -0.28 0.00 0.71 0.00 0.00 52.55 51.47 2yug s ASP 131 Cb 0.00 -0.56 0.01 0.00 1.01 0.00 0.00 42.92 43.39 2yug s ASP 131 CO 0.00 -0.42 1.38 -0.63 0.21 0.00 0.00 175.17 175.71 2yug s ILE 132 N 1.81 3.87 0.46 0.77 1.01 -1.26 -3.30 121.20 124.56 2yug s ILE 132 Ca 0.10 0.80 0.05 0.00 0.00 0.00 0.00 60.65 61.60 2yug s ILE 132 Cb -0.17 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2yug s ILE 132 CO -0.29 -1.04 0.11 -1.83 0.00 0.00 0.00 174.94 171.88 2yug s GLU 133 N 5.23 2.14 -0.56 2.79 -1.05 -0.65 0.57 118.70 127.17 2yug s GLU 133 Ca 0.54 -2.10 -0.19 0.00 -0.15 0.00 0.00 54.97 53.07 2yug s GLU 133 Cb -0.11 -1.77 0.08 0.00 -0.44 0.00 0.00 34.13 31.90 2yug s GLU 133 CO 0.28 -0.23 0.69 0.00 0.95 0.00 0.00 175.26 176.95 2yug s ALA 134 N -2.73 3.39 0.95 -0.84 0.00 -1.26 -1.73 121.76 119.54 2yug s ALA 134 Ca 0.28 -2.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.12 2yug s ALA 134 Cb 0.04 -3.48 0.17 0.00 0.00 0.00 0.00 23.12 19.85 2yug s ALA 134 CO 0.15 -2.24 1.10 0.21 0.00 0.00 0.00 175.76 174.99 2yug s LYS 135 N 2.74 0.74 1.14 0.00 2.47 -1.07 -4.81 119.74 120.96 2yug s LYS 135 Ca 0.14 1.16 -0.18 0.00 -1.56 0.00 0.00 55.97 55.53 2yug s LYS 135 Cb -0.22 -1.72 0.17 0.00 -1.46 0.00 0.00 37.83 34.60 2yug s LYS 135 CO 0.09 -2.69 0.25 -1.71 0.16 0.00 0.00 175.35 171.45 2yug n ASN 136 N -4.24 -2.65 0.08 1.43 5.15 -1.26 -3.30 115.26 110.47 2yug n ASN 136 Ca 0.08 -0.27 0.07 0.00 -0.60 0.00 0.00 54.58 53.86 2yug n ASN 136 Cb 0.53 -0.94 0.52 0.00 -0.53 0.00 0.00 39.78 39.36 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 -2.45 0.32 -5.55 1.20 1.57 -1.94 -3.38 116.57 106.34 2yug h LYS 137 Ca -0.47 -0.02 -0.34 0.00 -1.87 0.00 0.00 60.65 57.95 2yug h LYS 137 Cb 1.23 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.47 2yug h LYS 137 CO 0.33 0.21 1.20 0.95 -0.57 0.00 0.00 179.45 181.58 2yug s THR 138 N -5.32 3.01 -0.78 -0.16 -4.23 -1.26 -4.85 115.64 102.06 2yug s THR 138 Ca -0.07 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.18 2yug s THR 138 Cb 0.18 -3.04 0.03 0.00 1.34 0.00 0.00 72.50 71.01 2yug s THR 138 CO 0.71 -0.04 1.33 0.00 -0.54 0.00 0.00 174.62 176.09 2yug s ALA 139 N 12.86 2.72 1.07 3.99 0.00 -1.26 -4.99 121.76 136.14 2yug s ALA 139 Ca 0.96 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 51.27 2yug s ALA 139 Cb -0.16 -4.30 0.24 0.00 0.00 0.00 0.00 23.12 18.90 2yug s ALA 139 CO 0.21 -3.37 1.22 0.20 0.00 0.00 0.00 175.76 174.02 2yug s GLY 140 N 4.10 1.69 0.42 0.00 0.00 -1.26 -4.85 107.32 107.41 2yug s GLY 140 Ca 0.38 -1.07 0.11 0.00 0.00 0.00 0.00 44.72 44.14 2yug s GLY 140 CO 0.12 -0.26 1.97 -2.09 0.00 0.00 0.00 173.10 172.84 2yug h GLU 141 N -2.05 0.18 0.04 2.90 4.81 -1.97 -2.49 114.58 116.01 2yug h GLU 141 Ca -0.45 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 58.49 2yug h GLU 141 Cb 1.26 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 2yug h GLU 141 CO 0.37 0.29 -1.33 1.05 -0.73 0.00 0.00 179.01 178.66 2yug h GLU 142 N 0.18 0.09 0.00 1.92 9.09 -1.94 -3.29 114.58 120.62 2yug h GLU 142 Ca 0.04 -0.16 -0.03 0.00 0.05 0.00 0.00 59.36 59.27 2yug h GLU 142 Cb 0.29 0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 27.44 2yug h GLU 142 CO 0.02 0.93 -0.13 0.93 0.05 0.00 0.00 179.01 180.81 2yug h GLU 143 N 0.02 0.00 -7.16 1.06 5.08 -1.79 -3.44 114.58 108.35 2yug h GLU 143 Ca -0.15 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.68 2yug h GLU 143 Cb 1.91 0.00 0.20 0.00 0.50 0.00 0.00 28.75 31.36 2yug h GLU 143 CO 0.13 0.13 0.09 -1.33 -1.00 0.00 0.00 179.01 177.04 2yug n MET 144 N -4.31 -0.31 -4.33 2.33 2.81 -1.04 -4.74 117.12 107.54 2yug n MET 144 Ca -0.03 -0.02 -0.18 0.00 -1.81 0.00 0.00 57.70 55.66 2yug n MET 144 Cb 0.20 -2.29 -0.09 0.00 -0.71 0.00 0.00 33.22 30.33 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 -2.49 0.31 -0.31 2.02 -4.36 -1.01 -4.77 121.20 110.59 2yug s ILE 145 Ca 0.66 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 59.04 2yug s ILE 145 Cb -0.24 -2.52 0.10 0.00 1.25 0.00 0.00 42.46 41.05 2yug s ILE 145 CO 0.58 0.00 0.10 -0.54 0.24 0.00 0.00 174.94 175.33 2yug s LYS 146 N -3.83 0.64 -0.06 0.37 1.02 -1.11 -4.54 119.74 112.22 2yug s LYS 146 Ca 0.36 -1.00 -0.27 0.00 0.02 0.00 0.00 55.97 55.08 2yug s LYS 146 Cb 0.05 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 2yug s LYS 146 CO 0.17 -1.00 0.87 0.42 -0.92 0.00 0.00 175.35 174.90 2yug s ILE 147 N 1.67 4.91 0.19 2.17 1.01 -1.26 -2.74 121.20 127.16 2yug s ILE 147 Ca 0.10 1.80 0.10 0.00 0.00 0.00 0.00 60.65 62.64 2yug s ILE 147 Cb -0.17 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2yug s ILE 147 CO -0.27 0.14 -0.19 -0.13 0.00 0.00 0.00 174.94 174.49 2yug s ARG 148 N 1.27 1.39 -0.04 2.79 0.52 0.18 -1.56 118.95 123.50 2yug s ARG 148 Ca 0.45 -1.50 0.02 0.00 -0.52 0.00 0.00 55.73 54.18 2yug s ARG 148 Cb -0.19 -1.49 0.01 0.00 0.52 0.00 0.00 34.95 33.80 2yug s ARG 148 CO 0.21 0.30 -0.10 0.45 0.02 0.00 0.00 175.30 176.18 2yug s SER 149 N -2.83 1.36 -0.45 0.23 0.15 -0.20 0.59 113.70 112.55 2yug s SER 149 Ca 0.19 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.67 2yug s SER 149 Cb -0.06 -0.46 0.60 0.00 -1.71 0.00 0.00 66.02 64.40 2yug s SER 149 CO 0.08 0.05 1.84 0.00 1.20 0.00 0.00 173.24 176.41 2yug s ALA 151 N -3.38 3.45 -0.06 0.00 0.00 -1.26 -5.00 121.76 115.51 2yug s ALA 151 Ca 0.56 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 2yug s ALA 151 Cb 0.47 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2yug s ALA 151 CO 0.07 -1.23 1.20 -1.83 0.00 0.00 0.00 175.76 173.97 2yug s GLU 152 N -5.11 4.35 0.06 0.00 -1.05 -1.26 -5.01 118.70 110.69 2yug s GLU 152 Ca 0.61 1.67 -0.28 0.00 -0.15 0.00 0.00 54.97 56.83 2yug s GLU 152 Cb -0.09 -3.56 -0.05 0.00 -0.44 0.00 0.00 34.13 29.99 2yug s GLU 152 CO 0.43 -0.45 0.87 1.03 0.95 0.00 0.00 175.26 178.09 2yug s ARG 153 N 2.24 4.59 -1.08 -4.83 0.52 -1.26 -5.00 118.95 114.13 2yug s ARG 153 Ca 0.56 1.26 -0.11 0.00 -0.52 0.00 0.00 55.73 56.92 2yug s ARG 153 Cb -0.24 -3.38 0.25 0.00 0.52 0.00 0.00 34.95 32.09 2yug s ARG 153 CO 0.22 0.21 1.12 -1.21 0.02 0.00 0.00 175.30 175.65 2yug s GLU 154 N 0.12 4.08 0.00 3.54 2.02 -1.26 -5.32 118.70 121.88 2yug s GLU 154 Ca 0.44 -2.95 0.00 0.00 0.02 0.00 0.00 54.97 52.48 2yug s GLU 154 Cb -0.22 -4.64 0.00 0.00 0.10 0.00 0.00 34.13 29.38 2yug s GLU 154 CO 0.26 -1.36 0.00 2.41 0.02 0.00 0.00 175.26 176.60