#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 5.36 0.64 1.61 1.04 -1.26 -5.04 113.70 116.05 2yug s SER 2 Ca 0.00 2.36 -0.01 0.00 0.48 0.00 0.00 55.95 58.78 2yug s SER 2 Cb 0.00 -2.60 0.10 0.00 0.10 0.00 0.00 66.02 63.62 2yug s SER 2 CO 0.00 -1.47 0.69 -1.20 0.98 0.00 0.00 173.24 172.23 2yug n SER 3 N -1.44 0.88 0.00 7.02 7.64 -1.26 -4.99 113.62 121.47 2yug n SER 3 Ca 0.13 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.25 2yug n SER 3 Cb 0.50 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2yug n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yug n GLY 4 N -0.22 -1.34 2.65 0.23 0.00 -1.26 -4.97 105.19 100.27 2yug n GLY 4 Ca 0.11 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.51 2yug n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yug n SER 5 N 0.00 1.72 -3.22 1.61 3.41 -1.26 -5.10 113.62 110.78 2yug n SER 5 Ca 0.00 -2.78 -0.19 0.00 -0.26 0.00 0.00 58.87 55.65 2yug n SER 5 Cb 0.00 -0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 63.37 2yug n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yug n SER 6 N -0.11 1.07 -2.67 4.04 7.64 -1.26 -5.11 113.62 117.22 2yug n SER 6 Ca 0.12 -2.61 -0.04 0.00 1.01 0.00 0.00 58.87 57.34 2yug n SER 6 Cb 0.81 0.79 0.08 0.00 -1.01 0.00 0.00 64.21 64.88 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 -0.02 -0.92 3.11 0.23 0.00 -1.26 -5.15 105.19 101.18 2yug n GLY 7 Ca -0.04 0.49 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.67 1.22 -0.36 0.99 0.20 -1.26 -5.08 118.68 112.72 2yug s LEU 8 Ca 0.16 0.31 -0.24 0.00 0.69 0.00 0.00 54.13 55.05 2yug s LEU 8 Cb 0.24 0.76 0.01 0.00 -0.43 0.00 0.00 46.19 46.77 2yug s LEU 8 CO -0.13 -0.14 0.85 -0.62 -0.29 0.00 0.00 176.35 176.01 2yug s ASP 9 N -0.21 6.63 -0.18 3.68 -1.08 -1.26 -4.97 116.67 119.27 2yug s ASP 9 Ca -0.03 0.51 0.01 0.00 -0.52 0.00 0.00 52.55 52.51 2yug s ASP 9 Cb -0.03 -2.43 0.04 0.00 -1.46 0.00 0.00 42.92 39.04 2yug s ASP 9 CO 0.01 -0.77 -0.12 -0.51 0.52 0.00 0.00 175.17 174.30 2yug s ILE 10 N 3.23 1.66 -0.32 4.11 2.07 -1.26 -0.52 121.20 130.16 2yug s ILE 10 Ca 0.34 -0.90 -0.01 0.00 -1.41 0.00 0.00 60.65 58.67 2yug s ILE 10 Cb -0.13 -1.66 0.07 0.00 0.13 0.00 0.00 42.46 40.87 2yug s ILE 10 CO 0.17 0.28 0.04 -0.69 -1.91 0.00 0.00 174.94 172.82 2yug s VAL 11 N 1.41 2.92 0.00 4.00 1.01 0.54 -4.88 120.40 125.41 2yug s VAL 11 Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.35 2yug s VAL 11 Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2yug s VAL 11 CO -0.09 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.35 2yug n GLY 12 N 4.57 0.57 1.41 4.51 0.00 -1.26 -1.37 105.19 113.62 2yug n GLY 12 Ca -0.09 0.63 0.04 0.00 0.00 0.00 0.00 46.02 46.59 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 0.60 -3.81 -0.61 -5.35 -1.26 -5.04 119.36 103.89 2yug n ILE 13 Ca 0.00 -1.66 -0.23 0.00 -0.27 0.00 0.00 62.75 60.59 2yug n ILE 13 Cb 0.00 0.72 -0.17 0.00 -1.74 0.00 0.00 39.64 38.44 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 -1.00 0.80 -0.20 4.28 0.52 -0.47 -4.41 118.94 118.46 2yug s TRP 14 Ca 0.35 -0.26 -0.03 0.00 0.02 0.00 0.00 56.10 56.18 2yug s TRP 14 Cb 0.38 -0.86 -0.01 0.00 -1.15 0.00 0.00 33.47 31.83 2yug s TRP 14 CO -0.14 -0.35 -0.07 1.67 0.02 0.00 0.00 176.95 178.08 2yug s TRP 15 N 1.89 2.93 0.35 -1.98 1.48 0.14 -0.34 118.94 123.40 2yug s TRP 15 Ca 0.04 -0.88 -0.29 0.00 -1.06 0.00 0.00 56.10 53.91 2yug s TRP 15 Cb -0.12 -2.04 -0.11 0.00 -1.16 0.00 0.00 33.47 30.04 2yug s TRP 15 CO -0.05 -0.47 1.54 0.99 -4.06 0.00 0.00 176.95 174.90 2yug s THR 16 N 1.18 2.01 0.27 0.66 2.01 0.32 -1.26 115.64 120.83 2yug s THR 16 Ca 0.02 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 2yug s THR 16 Cb -0.14 -3.01 -0.09 0.00 0.01 0.00 0.00 72.50 69.27 2yug s THR 16 CO -0.02 0.00 1.03 0.68 -0.69 0.00 0.00 174.62 175.62 2yug s VAL 17 N -0.67 3.76 -0.19 3.82 -7.23 -1.07 -4.68 120.40 114.14 2yug s VAL 17 Ca 0.57 1.74 0.03 0.00 -1.81 0.00 0.00 61.98 62.51 2yug s VAL 17 Cb -0.47 -4.09 -0.21 0.00 0.56 0.00 0.00 36.38 32.16 2yug s VAL 17 CO 0.58 0.38 0.08 -1.20 -0.31 0.00 0.00 175.10 174.63 2yug n SER 18 N 1.20 1.63 -4.12 4.85 7.64 -1.26 -4.96 113.62 118.61 2yug n SER 18 Ca -0.01 0.04 -0.15 0.00 1.01 0.00 0.00 58.87 59.76 2yug n SER 18 Cb 0.46 -0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 63.26 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 -6.49 0.74 0.19 6.43 4.22 -1.26 -5.04 114.94 113.73 2yug s ASN 19 Ca -0.25 -1.45 -0.12 0.00 -2.14 0.00 0.00 52.86 48.90 2yug s ASN 19 Cb 0.08 0.35 0.12 0.00 1.28 0.00 0.00 41.25 43.07 2yug s ASN 19 CO 0.71 -0.84 1.84 0.15 -2.04 0.00 0.00 177.10 176.91 2yug h PHE 20 N 2.46 0.72 -0.33 1.54 3.57 -1.95 -1.63 116.94 121.32 2yug h PHE 20 Ca -0.35 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.26 2yug h PHE 20 Cb 1.25 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2yug h PHE 20 CO 0.60 0.43 0.31 0.78 -2.23 0.00 0.00 178.31 178.20 2yug h GLY 21 N 0.77 0.00 2.00 2.40 0.00 -2.02 0.89 103.07 107.10 2yug h GLY 21 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.35 2yug h GLY 21 CO -0.07 0.00 -0.99 0.83 0.00 0.00 0.00 176.54 176.31 2yug h GLU 22 N 0.00 0.00 -5.94 4.80 4.39 -1.71 -3.42 114.58 112.69 2yug h GLU 22 Ca 0.16 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.40 2yug h GLU 22 Cb 0.77 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 2yug h GLU 22 CO -0.00 0.99 1.19 0.42 -1.16 0.00 0.00 179.01 180.45 2yug s ILE 23 N -2.72 3.41 0.13 3.13 1.01 0.30 -4.91 121.20 121.56 2yug s ILE 23 Ca 0.01 0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.57 2yug s ILE 23 Cb 0.10 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.55 2yug s ILE 23 CO 0.82 -1.01 0.38 -0.44 0.00 0.00 0.00 174.94 174.69 2yug s SER 24 N 7.72 -0.17 0.90 3.58 0.01 -1.26 -4.88 113.70 119.60 2yug s SER 24 Ca 0.65 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.49 2yug s SER 24 Cb -0.11 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2yug s SER 24 CO 0.14 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2yug n GLY 25 N -0.22 1.00 3.72 3.44 0.00 -1.26 -4.64 105.19 107.23 2yug n GLY 25 Ca -0.14 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 3.53 -0.04 2.61 2.01 -1.26 -0.54 115.64 121.96 2yug s THR 26 Ca 0.00 1.13 -0.13 0.00 0.31 0.00 0.00 61.69 63.00 2yug s THR 26 Cb 0.00 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.81 2yug s THR 26 CO 0.00 0.10 0.29 0.27 -0.69 0.00 0.00 174.62 174.59 2yug s ILE 27 N 0.88 0.04 0.11 1.82 -4.36 0.74 -2.50 121.20 117.93 2yug s ILE 27 Ca 0.61 -0.37 0.04 0.00 -0.26 0.00 0.00 60.65 60.67 2yug s ILE 27 Cb -0.34 -0.54 -0.04 0.00 1.25 0.00 0.00 42.46 42.79 2yug s ILE 27 CO 0.31 -0.20 0.06 0.00 0.24 0.00 0.00 174.94 175.35 2yug s ALA 28 N -0.92 3.46 -0.15 2.27 0.00 0.61 -2.33 121.76 124.71 2yug s ALA 28 Ca -0.10 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2yug s ALA 28 Cb -0.05 -1.32 0.03 0.00 0.00 0.00 0.00 23.12 21.78 2yug s ALA 28 CO 0.03 0.66 -0.12 0.42 0.00 0.00 0.00 175.76 176.75 2yug s ILE 29 N -1.47 1.44 -0.18 0.00 1.01 -1.26 -0.09 121.20 120.64 2yug s ILE 29 Ca 0.29 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 2yug s ILE 29 Cb -0.11 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2yug s ILE 29 CO 0.21 0.40 0.01 -0.70 0.00 0.00 0.00 174.94 174.86 2yug s GLU 30 N 1.53 3.73 -0.18 2.79 2.12 -1.06 -3.36 118.70 124.26 2yug s GLU 30 Ca 0.04 -0.47 -0.15 0.00 0.36 0.00 0.00 54.97 54.75 2yug s GLU 30 Cb -0.13 -3.07 -0.10 0.00 0.26 0.00 0.00 34.13 31.09 2yug s GLU 30 CO -0.10 0.14 -0.07 -1.33 -0.54 0.00 0.00 175.26 173.36 2yug n MET 31 N 3.87 0.51 -2.87 4.30 2.81 -1.25 -2.82 117.12 121.67 2yug n MET 31 Ca -0.17 0.49 -0.20 0.00 -1.81 0.00 0.00 57.70 56.01 2yug n MET 31 Cb 0.52 -1.67 0.04 0.00 -0.71 0.00 0.00 33.22 31.41 2yug n MET 31 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2yug s ASP 32 N -6.33 5.24 -1.26 7.83 1.11 -1.24 -4.82 116.67 117.19 2yug s ASP 32 Ca -0.24 -0.43 -0.16 0.00 0.18 0.00 0.00 52.55 51.91 2yug s ASP 32 Cb 0.05 -0.37 0.11 0.00 1.07 0.00 0.00 42.92 43.78 2yug s ASP 32 CO 0.40 -1.15 1.62 0.29 1.18 0.00 0.00 175.17 177.51 2yug n LYS 33 N -2.20 3.27 0.00 8.23 4.01 -1.26 -3.65 118.16 126.55 2yug n LYS 33 Ca 0.11 -3.52 0.00 0.00 -0.51 0.00 0.00 58.31 54.39 2yug n LYS 33 Cb 0.60 -3.31 0.00 0.00 -0.51 0.00 0.00 35.03 31.81 2yug n LYS 33 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2yug n GLY 34 N 4.85 1.10 3.93 0.72 0.00 -1.26 -5.10 105.19 109.43 2yug n GLY 34 Ca 0.44 0.00 -0.29 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 -0.49 3.98 0.32 4.61 0.00 -1.24 -3.24 121.76 125.70 2yug s ALA 35 Ca 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.11 2yug s ALA 35 Cb 0.00 -1.83 -0.06 0.00 0.00 0.00 0.00 23.12 21.23 2yug s ALA 35 CO 0.00 0.69 0.00 0.71 0.00 0.00 0.00 175.76 177.16 2yug s TYR 36 N -1.63 2.06 -0.35 0.00 1.51 -1.26 -3.72 117.35 113.97 2yug s TYR 36 Ca 0.35 -0.80 -0.29 0.00 -1.01 0.00 0.00 57.07 55.33 2yug s TYR 36 Cb -0.12 -1.30 0.01 0.00 -0.11 0.00 0.00 41.96 40.43 2yug s TYR 36 CO 0.28 0.20 1.31 0.42 -1.11 0.00 0.00 175.55 176.65 2yug s ILE 37 N -3.07 4.09 0.30 2.71 1.01 -1.21 0.85 121.20 125.87 2yug s ILE 37 Ca 0.33 1.19 0.01 0.00 0.00 0.00 0.00 60.65 62.18 2yug s ILE 37 Cb 0.07 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 2yug s ILE 37 CO 0.14 -0.60 0.49 -2.28 0.00 0.00 0.00 174.94 172.69 2yug s HIS 38 N 4.65 3.49 -0.20 3.97 2.46 -0.59 -4.49 115.29 124.57 2yug s HIS 38 Ca 0.57 0.31 -0.01 0.00 0.47 0.00 0.00 55.06 56.39 2yug s HIS 38 Cb -0.15 -1.85 0.01 0.00 -0.13 0.00 0.00 32.58 30.47 2yug s HIS 38 CO 0.26 0.23 -0.13 0.00 -2.47 0.00 0.00 174.74 172.63 2yug s ALA 39 N -2.15 2.52 0.85 1.58 0.00 -1.26 -2.90 121.76 120.39 2yug s ALA 39 Ca 0.39 -1.25 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 2yug s ALA 39 Cb -0.10 -1.41 0.10 0.00 0.00 0.00 0.00 23.12 21.71 2yug s ALA 39 CO 0.33 -0.46 1.15 -0.51 0.00 0.00 0.00 175.76 176.28 2yug s LEU 40 N 1.34 2.32 -0.04 0.00 1.43 0.91 -5.00 118.68 119.64 2yug s LEU 40 Ca 0.04 0.90 0.09 0.00 -1.03 0.00 0.00 54.13 54.13 2yug s LEU 40 Cb -0.14 -3.35 -0.24 0.00 0.03 0.00 0.00 46.19 42.50 2yug s LEU 40 CO -0.09 -2.15 0.66 -2.24 0.23 0.00 0.00 176.35 172.76 2yug h ASP 41 N -1.22 0.08 -0.02 2.29 3.04 -2.00 -3.35 116.42 115.23 2yug h ASP 41 Ca -0.48 -0.17 -0.06 0.00 -3.24 0.00 0.00 57.03 53.08 2yug h ASP 41 Cb 1.32 -0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 39.57 2yug h ASP 41 CO 0.64 1.15 -0.14 -1.13 -2.04 0.00 0.00 179.24 177.72 2yug h ASN 42 N 0.01 0.31 0.00 4.15 -1.24 -2.02 -3.46 115.58 113.34 2yug h ASN 42 Ca -0.29 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.65 2yug h ASN 42 Cb 2.00 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.97 2yug h ASN 42 CO 0.09 0.48 0.00 0.61 -1.29 0.00 0.00 177.43 177.32 2yug n GLY 43 N -0.75 0.67 3.27 1.57 0.00 -1.26 -5.11 105.19 103.58 2yug n GLY 43 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 1.47 -0.07 0.99 1.43 -1.26 -4.43 118.68 116.81 2yug s LEU 44 Ca 0.00 -1.60 -0.02 0.00 -1.03 0.00 0.00 54.13 51.49 2yug s LEU 44 Cb 0.00 0.57 0.03 0.00 0.03 0.00 0.00 46.19 46.82 2yug s LEU 44 CO 0.00 -1.00 0.02 -0.36 0.23 0.00 0.00 176.35 175.24 2yug s PHE 45 N -3.69 0.55 0.30 0.29 0.40 -1.26 -0.06 117.98 114.51 2yug s PHE 45 Ca 0.39 -0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.68 2yug s PHE 45 Cb 0.04 -0.74 -0.06 0.00 0.51 0.00 0.00 43.02 42.76 2yug s PHE 45 CO 0.21 -0.31 -0.03 -0.08 0.70 0.00 0.00 175.22 175.71 2yug s THR 46 N 2.01 1.62 -0.10 0.64 -1.32 -1.14 -2.50 115.64 114.85 2yug s THR 46 Ca 0.05 -2.10 -0.32 0.00 -1.21 0.00 0.00 61.69 58.11 2yug s THR 46 Cb -0.12 -2.57 -0.10 0.00 -1.51 0.00 0.00 72.50 68.20 2yug s THR 46 CO -0.05 -0.22 2.00 -0.11 -2.21 0.00 0.00 174.62 174.04 2yug n LEU 47 N -0.64 3.51 -4.78 9.08 7.94 -1.26 -1.55 117.00 129.30 2yug n LEU 47 Ca -0.05 0.76 -0.33 0.00 -1.11 0.00 0.00 56.01 55.29 2yug n LEU 47 Cb 0.64 -1.44 0.04 0.00 0.53 0.00 0.00 43.42 43.20 2yug n LEU 47 CO 0.41 -0.15 0.73 -0.83 -1.11 0.00 0.00 177.39 176.45 2yug s GLY 48 N 5.25 2.12 -0.22 -3.96 0.00 0.25 -4.81 107.32 105.95 2yug s GLY 48 Ca 0.95 0.49 -0.28 0.00 0.00 0.00 0.00 44.72 45.88 2yug s GLY 48 CO 0.46 0.84 2.04 0.00 0.00 0.00 0.00 173.10 176.44 2yug s ALA 49 N -2.40 2.89 0.45 3.20 0.00 -1.26 -4.03 121.76 120.61 2yug s ALA 49 Ca 0.66 0.69 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 2yug s ALA 49 Cb -0.19 -4.02 -0.10 0.00 0.00 0.00 0.00 23.12 18.81 2yug s ALA 49 CO 0.42 -2.56 0.91 -2.30 0.00 0.00 0.00 175.76 172.23 2yug n PRO 50 N 8.46 1.14 -1.52 0.00 -0.02 -1.26 -4.84 135.00 136.96 2yug n PRO 50 Ca 0.26 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 2yug n PRO 50 Cb 0.45 -1.96 0.07 0.00 -0.02 0.00 0.00 33.50 32.04 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 -1.35 2.62 0.02 6.00 3.76 -1.20 -4.98 115.29 120.16 2yug s HIS 51 Ca 0.65 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 57.13 2yug s HIS 51 Cb -0.54 -3.10 -0.25 0.00 1.11 0.00 0.00 32.58 29.80 2yug s HIS 51 CO 0.56 -1.71 0.91 -0.09 -0.85 0.00 0.00 174.74 173.55 2yug h ARG 52 N -0.53 0.14 -6.35 1.40 2.43 -1.95 -3.47 114.38 106.06 2yug h ARG 52 Ca -0.45 -0.25 -0.44 0.00 -0.81 0.00 0.00 59.98 58.03 2yug h ARG 52 Cb 1.24 0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.88 2yug h ARG 52 CO 0.53 0.97 -0.32 -1.21 -1.51 0.00 0.00 179.97 178.43 2yug s GLU 53 N -2.63 2.93 -0.04 0.20 0.41 -1.26 -5.07 118.70 113.24 2yug s GLU 53 Ca -0.06 -1.16 -0.03 0.00 -0.41 0.00 0.00 54.97 53.31 2yug s GLU 53 Cb 0.08 -2.74 -0.02 0.00 -1.78 0.00 0.00 34.13 29.67 2yug s GLU 53 CO 0.84 -0.08 0.20 0.28 -0.49 0.00 0.00 175.26 176.00 2yug h VAL 54 N 0.83 0.00 -1.02 2.63 2.07 -2.03 -3.40 116.25 115.33 2yug h VAL 54 Ca -0.43 -0.45 -0.66 0.00 0.82 0.00 0.00 66.70 65.98 2yug h VAL 54 Cb 1.27 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 2yug h VAL 54 CO 0.50 0.00 1.93 -1.81 0.02 0.00 0.00 177.57 178.22 2yug s ASP 55 N -4.15 6.74 0.10 0.57 1.11 -1.26 -4.93 116.67 114.85 2yug s ASP 55 Ca -0.02 -2.16 0.04 0.00 0.18 0.00 0.00 52.55 50.59 2yug s ASP 55 Cb 0.00 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 2yug s ASP 55 CO 0.05 -1.25 -0.10 -0.70 1.18 0.00 0.00 175.17 174.34 2yug s GLU 56 N 4.32 0.86 0.05 8.23 2.56 -1.26 -4.97 118.70 128.49 2yug s GLU 56 Ca 0.51 -1.17 0.00 0.00 0.00 0.00 0.00 54.97 54.31 2yug s GLU 56 Cb 0.02 -0.56 -0.04 0.00 2.00 0.00 0.00 34.13 35.55 2yug s GLU 56 CO 0.02 0.09 0.17 0.20 -0.56 0.00 0.00 175.26 175.18 2yug s GLY 57 N -2.46 2.15 0.69 -1.50 0.00 -1.26 -5.02 107.32 99.92 2yug s GLY 57 Ca 0.06 -0.86 -0.13 0.00 0.00 0.00 0.00 44.72 43.79 2yug s GLY 57 CO 0.00 -0.82 1.08 2.56 0.00 0.00 0.00 173.10 175.93 2yug s PRO 58 N -2.35 2.73 0.77 2.90 0.04 -1.26 -5.04 135.00 132.80 2yug s PRO 58 Ca 0.32 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 2yug s PRO 58 Cb -0.13 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.51 2yug s PRO 58 CO 0.25 -1.28 1.08 0.45 0.04 0.00 0.00 177.00 177.54 2yug s SER 59 N -3.14 4.66 0.18 6.66 0.15 -1.26 -4.80 113.70 116.14 2yug s SER 59 Ca 0.63 1.49 -0.16 0.00 0.70 0.00 0.00 55.95 58.60 2yug s SER 59 Cb -0.17 -2.26 0.14 0.00 -1.71 0.00 0.00 66.02 62.02 2yug s SER 59 CO 0.48 -1.89 1.64 -0.65 1.20 0.00 0.00 173.24 174.03 2yug h PRO 60 N -1.03 -0.03 0.00 5.44 0.11 -1.96 -0.00 132.00 134.53 2yug h PRO 60 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 2yug h PRO 60 Cb 1.25 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2yug h PRO 60 CO 0.57 -0.02 -0.14 -1.00 -0.21 0.00 0.00 178.00 177.20 2yug h PRO 61 N -0.03 0.00 0.00 1.05 0.13 -1.93 -2.50 132.00 128.72 2yug h PRO 61 Ca 0.23 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.18 2yug h PRO 61 Cb 0.38 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 2yug h PRO 61 CO -0.51 0.14 -0.85 0.93 -0.23 0.00 0.00 178.00 177.48 2yug h GLU 62 N 0.00 0.07 -6.89 0.86 5.08 -1.27 -3.38 114.58 109.05 2yug h GLU 62 Ca -0.00 -0.08 -0.51 0.00 -1.00 0.00 0.00 59.36 57.77 2yug h GLU 62 Cb 0.41 0.02 0.05 0.00 0.50 0.00 0.00 28.75 29.74 2yug h GLU 62 CO 0.02 0.87 0.55 -0.65 -1.00 0.00 0.00 179.01 178.80 2yug s GLN 63 N -3.14 4.28 0.28 2.33 -0.21 -0.55 -4.73 119.66 117.92 2yug s GLN 63 Ca -0.01 1.97 0.07 0.00 0.02 0.00 0.00 55.36 57.41 2yug s GLN 63 Cb 0.11 -2.92 -0.06 0.00 1.00 0.00 0.00 33.01 31.14 2yug s GLN 63 CO 0.81 -0.16 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.67 2yug s PHE 64 N -1.26 2.02 -0.16 0.91 0.40 -0.98 -3.28 117.98 115.63 2yug s PHE 64 Ca 0.52 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 2yug s PHE 64 Cb -0.34 -1.12 0.03 0.00 0.51 0.00 0.00 43.02 42.09 2yug s PHE 64 CO 0.44 0.36 -0.12 0.99 0.70 0.00 0.00 175.22 177.59 2yug s THR 65 N -2.92 1.51 0.50 0.64 2.01 0.34 -0.19 115.64 117.53 2yug s THR 65 Ca 0.29 -0.68 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 2yug s THR 65 Cb 0.03 -1.48 -0.08 0.00 0.01 0.00 0.00 72.50 70.98 2yug s THR 65 CO 0.12 0.36 0.96 0.00 -0.69 0.00 0.00 174.62 175.38 2yug s ALA 66 N 1.50 3.10 -0.30 7.40 0.00 0.30 -0.05 121.76 133.72 2yug s ALA 66 Ca 0.03 0.15 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 2yug s ALA 66 Cb -0.14 -3.07 0.11 0.00 0.00 0.00 0.00 23.12 20.02 2yug s ALA 66 CO -0.10 -0.20 0.18 0.08 0.00 0.00 0.00 175.76 175.73 2yug s VAL 67 N -2.58 -0.14 0.44 0.00 1.01 0.28 -4.07 120.40 115.34 2yug s VAL 67 Ca 0.58 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 2yug s VAL 67 Cb -0.10 -0.98 -0.08 0.00 0.00 0.00 0.00 36.38 35.21 2yug s VAL 67 CO 0.31 -0.69 1.37 -0.54 0.00 0.00 0.00 175.10 175.55 2yug s LYS 68 N 2.07 3.76 0.00 2.72 1.02 -1.26 0.20 119.74 128.26 2yug s LYS 68 Ca 0.10 2.30 0.00 0.00 0.02 0.00 0.00 55.97 58.39 2yug s LYS 68 Cb -0.16 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2yug s LYS 68 CO -0.32 -0.71 0.00 1.28 -0.92 0.00 0.00 175.35 174.67 2yug n LEU 69 N -0.13 0.00 0.00 3.17 4.77 -0.53 -4.90 117.00 119.39 2yug n LEU 69 Ca 0.05 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2yug n LEU 69 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2yug n LEU 69 CO 0.57 -0.50 0.00 -1.54 -1.33 0.00 0.00 177.39 174.59 2yug n SER 70 N -2.52 0.00 -3.11 -1.43 3.41 -1.22 -4.98 113.62 103.77 2yug n SER 70 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 2yug n SER 70 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2yug n SER 70 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2yug n ASP 71 N 0.00 -5.81 -3.38 4.04 8.00 -1.26 -1.53 116.55 116.61 2yug n ASP 71 Ca 0.00 -0.32 -0.24 0.00 0.71 0.00 0.00 54.79 54.95 2yug n ASP 71 Cb 0.00 -4.70 0.06 0.00 -0.02 0.00 0.00 41.12 36.46 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 -2.52 -6.26 -4.27 -2.24 7.64 -1.26 -4.99 113.62 99.71 2yug n SER 72 Ca -0.09 -0.45 -0.32 0.00 1.01 0.00 0.00 58.87 59.02 2yug n SER 72 Cb 0.61 -4.98 -0.16 0.00 -1.01 0.00 0.00 64.21 58.67 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 -6.09 2.96 0.17 1.43 1.81 -0.58 -4.31 118.95 114.34 2yug s ARG 73 Ca 0.48 -0.84 0.08 0.00 -1.72 0.00 0.00 55.73 53.72 2yug s ARG 73 Cb -0.21 -2.33 -0.04 0.00 -0.45 0.00 0.00 34.95 31.91 2yug s ARG 73 CO 0.60 0.26 -0.16 0.96 -0.68 0.00 0.00 175.30 176.27 2yug s ILE 74 N 0.17 1.68 -0.14 1.52 -4.36 -1.15 -1.45 121.20 117.46 2yug s ILE 74 Ca -0.12 -1.98 -0.02 0.00 -0.26 0.00 0.00 60.65 58.26 2yug s ILE 74 Cb -0.16 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.67 2yug s ILE 74 CO 0.07 -0.44 -0.07 0.00 0.24 0.00 0.00 174.94 174.73 2yug s ALA 75 N -2.42 2.85 0.02 2.27 0.00 0.13 -1.16 121.76 123.45 2yug s ALA 75 Ca 0.17 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 2yug s ALA 75 Cb -0.04 -1.42 -0.06 0.00 0.00 0.00 0.00 23.12 21.61 2yug s ALA 75 CO 0.06 0.24 0.38 -0.51 0.00 0.00 0.00 175.76 175.93 2yug s LEU 76 N 0.33 4.43 -0.07 0.00 1.43 -1.25 0.10 118.68 123.64 2yug s LEU 76 Ca -0.07 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 2yug s LEU 76 Cb -0.15 -2.67 0.01 0.00 0.03 0.00 0.00 46.19 43.41 2yug s LEU 76 CO 0.04 0.28 -0.11 -0.75 0.23 0.00 0.00 176.35 176.04 2yug s LYS 77 N -1.36 1.64 0.55 1.70 2.20 0.93 -0.73 119.74 124.68 2yug s LYS 77 Ca 0.26 -0.38 -0.16 0.00 -0.36 0.00 0.00 55.97 55.33 2yug s LYS 77 Cb -0.15 -1.40 -0.06 0.00 -1.51 0.00 0.00 37.83 34.70 2yug s LYS 77 CO 0.14 -0.01 1.01 -1.54 -0.36 0.00 0.00 175.35 174.59 2yug s SER 78 N 0.79 6.36 0.55 1.43 1.04 0.28 -0.50 113.70 123.64 2yug s SER 78 Ca -0.12 1.61 0.22 0.00 0.48 0.00 0.00 55.95 58.14 2yug s SER 78 Cb -0.15 -2.51 1.46 0.00 0.10 0.00 0.00 66.02 64.91 2yug s SER 78 CO 0.02 -0.77 2.13 1.23 0.98 0.00 0.00 173.24 176.83 2yug h GLY 79 N 0.62 0.00 1.47 7.32 0.00 -1.72 -1.39 103.07 109.36 2yug h GLY 79 Ca -0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2yug h GLY 79 CO 0.60 0.00 0.23 -0.97 0.00 0.00 0.00 176.54 176.41 2yug h TYR 80 N 0.00 0.69 0.00 5.60 0.05 -1.88 -3.46 116.97 117.96 2yug h TYR 80 Ca 0.06 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2yug h TYR 80 Cb 0.26 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.78 2yug h TYR 80 CO 0.00 0.51 0.00 0.41 -1.05 0.00 0.00 178.16 178.03 2yug n GLY 81 N -1.20 1.17 3.18 3.88 0.00 -0.52 -5.16 105.19 106.54 2yug n GLY 81 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 0.96 -0.16 1.61 1.02 -1.24 -4.79 119.74 117.15 2yug s LYS 82 Ca 0.00 -1.45 -0.07 0.00 0.02 0.00 0.00 55.97 54.47 2yug s LYS 82 Cb 0.00 0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 2yug s LYS 82 CO 0.00 -0.19 0.07 0.71 -0.92 0.00 0.00 175.35 175.02 2yug s TYR 83 N -3.87 3.30 -0.18 3.18 1.51 0.11 0.99 117.35 122.40 2yug s TYR 83 Ca 0.22 0.17 -0.28 0.00 -1.01 0.00 0.00 57.07 56.17 2yug s TYR 83 Cb 0.07 -2.03 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 2yug s TYR 83 CO 0.01 0.29 2.16 -0.51 -1.11 0.00 0.00 175.55 176.39 2yug s LEU 84 N 0.01 3.60 -0.04 -1.29 1.43 0.10 -4.34 118.68 118.16 2yug s LEU 84 Ca 0.06 1.99 0.04 0.00 -1.03 0.00 0.00 54.13 55.19 2yug s LEU 84 Cb -0.12 -3.51 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 2yug s LEU 84 CO 0.01 -1.81 -0.15 -0.83 0.23 0.00 0.00 176.35 173.80 2yug s GLY 85 N 7.58 0.79 -0.01 -3.19 0.00 0.27 -4.38 107.32 108.38 2yug s GLY 85 Ca 0.98 -0.58 -0.22 0.00 0.00 0.00 0.00 44.72 44.89 2yug s GLY 85 CO 0.36 -0.29 0.67 -0.26 0.00 0.00 0.00 173.10 173.57 2yug s ILE 86 N 0.05 4.91 1.02 0.90 -4.36 -1.23 -1.77 121.20 120.73 2yug s ILE 86 Ca -0.03 1.39 -0.13 0.00 -0.26 0.00 0.00 60.65 61.63 2yug s ILE 86 Cb -0.10 -4.01 0.20 0.00 1.25 0.00 0.00 42.46 39.80 2yug s ILE 86 CO 0.01 0.35 1.09 0.20 0.24 0.00 0.00 174.94 176.84 2yug s ASN 87 N 0.15 2.39 0.48 4.36 0.01 -0.15 -4.85 114.94 117.33 2yug s ASN 87 Ca 0.35 1.19 0.13 0.00 -0.71 0.00 0.00 52.86 53.81 2yug s ASN 87 Cb -0.19 -1.87 1.11 0.00 0.41 0.00 0.00 41.25 40.71 2yug s ASN 87 CO 0.19 -3.28 2.11 -1.28 -1.51 0.00 0.00 177.10 173.33 2yug h SER 88 N -1.99 0.16 0.46 -1.22 0.87 -1.97 -1.36 113.55 108.50 2yug h SER 88 Ca -0.56 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 59.86 2yug h SER 88 Cb 1.33 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 2yug h SER 88 CO 0.57 0.13 -0.59 0.44 -0.53 0.00 0.00 176.83 176.85 2yug h ASP 89 N 0.19 0.15 0.00 6.23 5.19 -2.04 -3.47 116.42 122.67 2yug h ASP 89 Ca 0.05 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2yug h ASP 89 Cb 0.01 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.47 2yug h ASP 89 CO -0.01 0.71 0.00 0.61 -3.12 0.00 0.00 179.24 177.43 2yug n GLY 90 N 0.21 1.75 3.61 2.75 0.00 -0.51 -5.07 105.19 107.94 2yug n GLY 90 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 3.52 -0.31 0.99 2.96 -1.26 -2.36 118.68 122.21 2yug s LEU 91 Ca 0.00 0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 53.67 2yug s LEU 91 Cb 0.00 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.86 2yug s LEU 91 CO 0.00 0.27 1.26 -0.69 -1.32 0.00 0.00 176.35 175.88 2yug s VAL 92 N -0.25 4.19 0.34 1.68 1.01 -0.98 -0.97 120.40 125.41 2yug s VAL 92 Ca 0.06 1.34 0.07 0.00 0.00 0.00 0.00 61.98 63.44 2yug s VAL 92 Cb -0.12 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 2yug s VAL 92 CO 0.02 -0.51 0.31 0.68 0.00 0.00 0.00 175.10 175.60 2yug s VAL 93 N 4.30 0.00 -0.46 2.92 -7.23 -0.73 -4.27 120.40 114.94 2yug s VAL 93 Ca 0.54 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 2yug s VAL 93 Cb -0.15 -2.52 0.18 0.00 0.56 0.00 0.00 36.38 34.44 2yug s VAL 93 CO 0.23 0.00 0.57 -0.83 -0.31 0.00 0.00 175.10 174.76 2yug s GLY 94 N -3.37 -0.48 -0.17 2.32 0.00 -1.26 0.97 107.32 105.33 2yug s GLY 94 Ca 0.40 -0.92 0.18 0.00 0.00 0.00 0.00 44.72 44.37 2yug s GLY 94 CO 0.28 3.15 1.17 -0.96 0.00 0.00 0.00 173.10 176.74 2yug n ARG 95 N 3.28 1.54 -3.87 2.90 1.85 -1.26 -4.79 116.66 116.31 2yug n ARG 95 Ca 0.19 -3.13 -0.11 0.00 -1.00 0.00 0.00 57.85 53.80 2yug n ARG 95 Cb 0.53 -1.25 -0.11 0.00 -1.05 0.00 0.00 32.46 30.58 2yug n ARG 95 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2yug s SER 96 N -3.08 -0.00 -0.34 2.89 0.01 -1.26 -5.03 113.70 106.88 2yug s SER 96 Ca 0.36 -0.11 0.07 0.00 1.31 0.00 0.00 55.95 57.58 2yug s SER 96 Cb 0.37 0.22 0.52 0.00 0.21 0.00 0.00 66.02 67.34 2yug s SER 96 CO -0.07 -0.29 1.54 -0.90 0.41 0.00 0.00 173.24 173.92 2yug n ASP 97 N 1.81 3.19 -3.94 2.44 5.75 -1.26 0.08 116.55 124.61 2yug n ASP 97 Ca -0.20 -3.77 -0.21 0.00 -0.01 0.00 0.00 54.79 50.59 2yug n ASP 97 Cb 0.56 -0.66 -0.16 0.00 -1.03 0.00 0.00 41.12 39.83 2yug n ASP 97 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2yug s ALA 98 N -3.34 0.82 -1.28 2.12 0.00 -1.26 -4.94 121.76 113.88 2yug s ALA 98 Ca 0.48 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 52.08 2yug s ALA 98 Cb 0.42 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.16 2yug s ALA 98 CO 0.01 0.05 1.85 -0.89 0.00 0.00 0.00 175.76 176.78 2yug n ILE 99 N 3.80 3.43 -2.35 0.00 5.41 -1.26 -4.83 119.36 123.55 2yug n ILE 99 Ca -0.23 -3.48 -0.25 0.00 1.00 0.00 0.00 62.75 59.78 2yug n ILE 99 Cb 0.52 -2.35 0.12 0.00 -0.71 0.00 0.00 39.64 37.22 2yug n ILE 99 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2yug s GLY 100 N 4.54 1.76 0.25 7.39 0.00 -1.26 -4.83 107.32 115.18 2yug s GLY 100 Ca 0.56 -1.42 -0.02 0.00 0.00 0.00 0.00 44.72 43.84 2yug s GLY 100 CO 0.07 -0.85 1.76 -2.55 0.00 0.00 0.00 173.10 171.53 2yug h PRO 101 N -0.79 0.56 -0.09 2.90 0.11 -1.96 0.20 132.00 132.94 2yug h PRO 101 Ca -0.40 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 2yug h PRO 101 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2yug h PRO 101 CO 0.44 0.37 -0.48 0.00 -0.21 0.00 0.00 178.00 178.12 2yug h ARG 102 N 0.58 0.21 0.00 1.05 3.08 -1.92 -2.89 114.38 114.49 2yug h ARG 102 Ca 0.44 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 60.26 2yug h ARG 102 Cb 0.61 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2yug h ARG 102 CO -0.36 0.65 -0.54 0.93 -1.07 0.00 0.00 179.97 179.58 2yug h GLU 103 N 0.17 0.00 -7.14 0.04 3.07 -1.24 -3.25 114.58 106.22 2yug h GLU 103 Ca 0.01 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.34 2yug h GLU 103 Cb 0.91 0.00 0.19 0.00 -0.84 0.00 0.00 28.75 29.02 2yug h GLU 103 CO 0.07 0.54 0.13 1.04 -1.40 0.00 0.00 179.01 179.40 2yug n GLN 104 N -3.75 -0.12 -4.34 2.33 6.02 -0.19 -4.48 117.38 112.85 2yug n GLN 104 Ca -0.01 0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.80 2yug n GLN 104 Cb 0.58 -2.31 -0.08 0.00 1.02 0.00 0.00 30.24 29.45 2yug n GLN 104 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2yug n TRP 105 N -3.66 -0.56 -3.11 1.08 7.02 -0.31 -3.68 117.44 114.22 2yug n TRP 105 Ca 0.12 -2.83 0.00 0.00 -1.02 0.00 0.00 57.50 53.77 2yug n TRP 105 Cb 0.51 0.22 -0.01 0.00 -2.42 0.00 0.00 31.31 29.62 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 -3.45 0.84 1.03 -0.99 2.12 -0.92 -2.92 118.70 114.41 2yug s GLU 106 Ca 0.36 -0.40 -0.15 0.00 0.36 0.00 0.00 54.97 55.14 2yug s GLU 106 Cb 0.02 0.07 0.08 0.00 0.26 0.00 0.00 34.13 34.56 2yug s GLU 106 CO 0.25 -1.18 0.31 -2.30 -0.54 0.00 0.00 175.26 171.80 2yug n PRO 107 N 4.12 -0.90 -3.98 4.30 -0.02 -1.26 -2.63 135.00 134.63 2yug n PRO 107 Ca 0.12 -0.23 -0.08 0.00 -2.02 0.00 0.00 63.50 61.29 2yug n PRO 107 Cb 0.57 -1.83 -0.09 0.00 -0.02 0.00 0.00 33.50 32.13 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 -2.34 0.18 -0.19 -1.45 1.01 0.27 -4.81 120.40 113.07 2yug s VAL 108 Ca 0.57 -1.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 2yug s VAL 108 Cb -0.18 -1.35 0.08 0.00 0.00 0.00 0.00 36.38 34.93 2yug s VAL 108 CO 0.67 -0.81 0.41 -0.36 0.00 0.00 0.00 175.10 175.00 2yug s PHE 109 N -3.69 -0.73 -0.07 5.22 0.40 -1.26 -1.58 117.98 116.28 2yug s PHE 109 Ca 0.04 1.43 -0.03 0.00 -0.60 0.00 0.00 56.93 57.78 2yug s PHE 109 Cb 0.05 0.27 0.04 0.00 0.51 0.00 0.00 43.02 43.90 2yug s PHE 109 CO -0.10 -0.44 0.13 -1.14 0.70 0.00 0.00 175.22 174.38 2yug s GLN 110 N 2.31 0.05 -1.73 0.44 2.00 -1.00 -4.84 119.66 116.89 2yug s GLN 110 Ca -0.03 0.42 0.00 0.00 -2.00 0.00 0.00 55.36 53.75 2yug s GLN 110 Cb -0.11 -0.24 0.00 0.00 0.80 0.00 0.00 33.01 33.46 2yug s GLN 110 CO -0.12 -0.23 0.00 -0.25 -0.50 0.00 0.00 175.29 174.19 2yug n ASP 111 N 4.68 -5.67 0.00 6.67 8.00 -1.26 -1.43 116.55 127.54 2yug n ASP 111 Ca -0.17 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2yug n ASP 111 Cb 0.51 -4.74 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 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 -0.95 2.82 3.43 0.44 0.00 -1.26 -5.03 105.19 104.64 2yug n GLY 112 Ca -0.23 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 2yug n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yug s LYS 113 N 0.00 -2.32 0.05 1.61 1.02 -0.51 -5.04 119.74 114.55 2yug s LYS 113 Ca 0.00 -0.04 -0.13 0.00 0.02 0.00 0.00 55.97 55.82 2yug s LYS 113 Cb 0.00 -1.46 0.02 0.00 -0.52 0.00 0.00 37.83 35.86 2yug s LYS 113 CO 0.00 -4.44 0.28 0.00 -0.92 0.00 0.00 175.35 170.28 2yug s MET 114 N -5.30 0.81 -0.23 1.68 0.23 -1.24 -2.38 119.30 112.88 2yug s MET 114 Ca 0.70 -0.58 -0.26 0.00 -1.03 0.00 0.00 55.69 54.52 2yug s MET 114 Cb -0.10 0.35 0.08 0.00 -1.53 0.00 0.00 34.83 33.62 2yug s MET 114 CO 0.57 -0.26 0.75 0.00 -2.03 0.00 0.00 175.02 174.04 2yug s ALA 115 N -2.75 -1.80 -0.17 3.16 0.00 -0.61 -0.58 121.76 119.01 2yug s ALA 115 Ca -0.04 1.87 -0.14 0.00 0.00 0.00 0.00 51.96 53.65 2yug s ALA 115 Cb -0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 2yug s ALA 115 CO -0.05 -0.34 0.28 -1.17 0.00 0.00 0.00 175.76 174.49 2yug s LEU 116 N 0.02 4.23 -0.20 0.00 2.96 -1.26 0.94 118.68 125.37 2yug s LEU 116 Ca -0.02 0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.31 2yug s LEU 116 Cb -0.04 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 2yug s LEU 116 CO 0.02 0.09 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.91 2yug s LEU 117 N 0.55 3.17 1.12 -0.68 2.96 -1.08 -2.65 118.68 122.08 2yug s LEU 117 Ca 0.16 -0.23 -0.14 0.00 -0.22 0.00 0.00 54.13 53.69 2yug s LEU 117 Cb -0.13 -1.80 0.25 0.00 0.50 0.00 0.00 46.19 45.02 2yug s LEU 117 CO 0.04 0.06 1.06 0.00 -1.32 0.00 0.00 176.35 176.18 2yug s ALA 118 N 1.01 0.20 -1.22 5.97 0.00 0.29 -2.16 121.76 125.85 2yug s ALA 118 Ca 0.01 -0.41 0.20 0.00 0.00 0.00 0.00 51.96 51.76 2yug s ALA 118 Cb -0.14 -3.11 0.92 0.00 0.00 0.00 0.00 23.12 20.78 2yug s ALA 118 CO 0.01 -3.47 1.62 0.45 0.00 0.00 0.00 175.76 174.38 2yug n SER 119 N -4.65 0.00 -1.81 0.00 2.88 -1.24 -2.81 113.62 105.98 2yug n SER 119 Ca 0.05 0.24 -0.07 0.00 -1.33 0.00 0.00 58.87 57.76 2yug n SER 119 Cb 0.57 -0.39 0.23 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.39 4.20 -2.95 -3.46 0.23 -1.26 -4.88 115.26 105.75 2yug n ASN 120 Ca 0.07 -3.03 -0.21 0.00 -0.53 0.00 0.00 54.58 50.89 2yug n ASN 120 Cb 0.19 -0.71 0.01 0.00 -2.08 0.00 0.00 39.78 37.19 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 -0.18 -5.05 -3.89 0.53 7.64 -1.12 -4.96 113.62 106.58 2yug n SER 121 Ca 0.36 -0.21 -0.16 0.00 1.01 0.00 0.00 58.87 59.87 2yug n SER 121 Cb 1.24 -4.14 -0.15 0.00 -1.01 0.00 0.00 64.21 60.14 2yug n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yug s PHE 123 N 0.40 2.02 0.22 0.00 0.08 -1.23 -0.55 117.98 118.91 2yug s PHE 123 Ca -0.04 1.03 0.04 0.00 0.12 0.00 0.00 56.93 58.08 2yug s PHE 123 Cb -0.07 -3.24 -0.03 0.00 -0.57 0.00 0.00 43.02 39.11 2yug s PHE 123 CO -0.01 -3.00 0.33 0.96 -0.10 0.00 0.00 175.22 173.40 2yug s ILE 124 N -2.90 5.22 -0.30 0.64 -4.36 -1.08 -0.18 121.20 118.24 2yug s ILE 124 Ca 0.66 -0.93 -0.23 0.00 -0.26 0.00 0.00 60.65 59.88 2yug s ILE 124 Cb -0.19 -3.79 0.18 0.00 1.25 0.00 0.00 42.46 39.90 2yug s ILE 124 CO 0.58 -0.26 1.33 -0.60 0.24 0.00 0.00 174.94 176.23 2yug s ARG 125 N -3.76 0.14 0.82 0.37 3.52 -1.13 -4.63 118.95 114.29 2yug s ARG 125 Ca 0.34 0.18 -0.12 0.00 -0.13 0.00 0.00 55.73 56.01 2yug s ARG 125 Cb -0.09 0.06 0.09 0.00 -1.56 0.00 0.00 34.95 33.44 2yug s ARG 125 CO 0.29 -0.02 1.15 0.00 -0.81 0.00 0.00 175.30 175.91 2yug s ASN 127 N -4.35 4.32 0.04 0.00 0.01 -1.24 -4.80 114.94 108.92 2yug s ASN 127 Ca 0.62 -1.23 0.06 0.00 -0.71 0.00 0.00 52.86 51.60 2yug s ASN 127 Cb -0.12 -0.21 -0.23 0.00 0.41 0.00 0.00 41.25 41.10 2yug s ASN 127 CO 0.51 -0.65 0.98 -0.33 -1.51 0.00 0.00 177.10 176.10 2yug h GLU 128 N 1.38 0.07 -0.01 -0.60 5.08 -1.99 -3.36 114.58 115.15 2yug h GLU 128 Ca -0.42 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 57.76 2yug h GLU 128 Cb 1.27 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2yug h GLU 128 CO 0.71 0.88 -0.21 0.00 -1.00 0.00 0.00 179.01 179.39 2yug h ALA 129 N 0.86 0.04 0.00 3.43 0.00 -2.05 -3.48 119.26 118.06 2yug h ALA 129 Ca -0.16 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2yug h ALA 129 Cb 1.91 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2yug h ALA 129 CO 0.12 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2yug n GLY 130 N 0.95 0.03 2.79 0.00 0.00 -1.26 -5.05 105.19 102.65 2yug n GLY 130 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.03 1.36 -0.11 1.61 1.11 -1.26 -4.53 116.67 114.82 2yug s ASP 131 Ca 0.00 -0.63 -0.29 0.00 0.18 0.00 0.00 52.55 51.81 2yug s ASP 131 Cb 0.00 0.64 -0.03 0.00 1.07 0.00 0.00 42.92 44.60 2yug s ASP 131 CO 0.00 -0.38 1.44 -0.63 1.18 0.00 0.00 175.17 176.78 2yug s ILE 132 N 2.40 3.95 0.11 0.77 1.01 -1.04 -3.71 121.20 124.69 2yug s ILE 132 Ca 0.09 1.16 0.05 0.00 0.00 0.00 0.00 60.65 61.95 2yug s ILE 132 Cb -0.14 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2yug s ILE 132 CO -0.31 -0.10 -0.12 -1.83 0.00 0.00 0.00 174.94 172.58 2yug s GLU 133 N 3.68 0.94 -0.32 2.79 -1.05 -0.69 -2.32 118.70 121.73 2yug s GLU 133 Ca 0.63 -1.19 -0.29 0.00 -0.15 0.00 0.00 54.97 53.97 2yug s GLU 133 Cb -0.27 -0.74 -0.02 0.00 -0.44 0.00 0.00 34.13 32.66 2yug s GLU 133 CO 0.22 0.13 1.73 0.00 0.95 0.00 0.00 175.26 178.29 2yug s ALA 134 N -2.24 2.97 1.29 -0.84 0.00 -1.00 -2.82 121.76 119.11 2yug s ALA 134 Ca 0.07 0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.10 2yug s ALA 134 Cb -0.04 -3.98 0.32 0.00 0.00 0.00 0.00 23.12 19.42 2yug s ALA 134 CO 0.02 -2.47 1.01 0.21 0.00 0.00 0.00 175.76 174.53 2yug s LYS 135 N 5.39 -1.88 1.39 0.00 2.36 0.75 -4.83 119.74 122.93 2yug s LYS 135 Ca 0.77 0.18 -0.21 0.00 -2.55 0.00 0.00 55.97 54.16 2yug s LYS 135 Cb -0.22 -1.50 0.36 0.00 -1.05 0.00 0.00 37.83 35.42 2yug s LYS 135 CO 0.33 -4.20 0.89 0.09 1.55 0.00 0.00 175.35 174.01 2yug n ASN 136 N -5.15 -3.51 0.15 1.43 4.13 -1.26 -3.57 115.26 107.48 2yug n ASN 136 Ca 0.11 -0.67 0.01 0.00 1.68 0.00 0.00 54.58 55.71 2yug n ASN 136 Cb 0.59 -1.07 0.34 0.00 -1.54 0.00 0.00 39.78 38.09 2yug n ASN 136 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2yug h LYS 137 N -3.38 0.10 -6.28 3.52 3.64 -1.95 -3.32 116.57 108.91 2yug h LYS 137 Ca -0.47 -0.04 -0.55 0.00 -1.27 0.00 0.00 60.65 58.32 2yug h LYS 137 Cb 1.33 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.16 2yug h LYS 137 CO 0.32 0.42 1.28 0.25 -2.27 0.00 0.00 179.45 179.45 2yug n THR 138 N -4.12 0.67 -3.59 1.00 -2.24 -1.26 -4.80 114.28 99.95 2yug n THR 138 Ca -0.02 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 2yug n THR 138 Cb 0.39 -2.32 -0.10 0.00 -2.10 0.00 0.00 70.33 66.20 2yug n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yug s ALA 139 N 5.19 3.30 0.61 6.98 0.00 -1.26 -4.98 121.76 131.61 2yug s ALA 139 Ca 0.92 -1.93 0.05 0.00 0.00 0.00 0.00 51.96 51.00 2yug s ALA 139 Cb -0.44 -2.65 0.09 0.00 0.00 0.00 0.00 23.12 20.12 2yug s ALA 139 CO 0.42 -1.53 0.85 0.20 0.00 0.00 0.00 175.76 175.70 2yug s GLY 140 N 1.87 1.76 0.21 0.00 0.00 -1.26 -4.97 107.32 104.93 2yug s GLY 140 Ca 0.02 -1.92 -0.10 0.00 0.00 0.00 0.00 44.72 42.73 2yug s GLY 140 CO 0.05 -1.45 1.88 0.83 0.00 0.00 0.00 173.10 174.41 2yug h GLU 141 N -0.05 1.02 -0.54 2.90 5.08 -1.98 -2.06 114.58 118.95 2yug h GLU 141 Ca -0.34 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2yug h GLU 141 Cb 1.28 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 2yug h GLU 141 CO 0.41 0.68 0.31 1.05 -1.00 0.00 0.00 179.01 180.46 2yug h GLU 142 N 1.05 0.74 0.00 2.33 4.11 -2.01 -1.25 114.58 119.54 2yug h GLU 142 Ca 0.28 -0.07 -0.03 0.00 0.07 0.00 0.00 59.36 59.62 2yug h GLU 142 Cb -0.11 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 2yug h GLU 142 CO -0.06 0.54 -0.13 0.93 0.07 0.00 0.00 179.01 180.36 2yug h GLU 143 N 0.75 0.00 -6.17 1.06 3.07 -1.75 -3.43 114.58 108.11 2yug h GLU 143 Ca 0.19 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.44 2yug h GLU 143 Cb 0.01 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2yug h GLU 143 CO -0.03 0.13 1.26 -1.33 -1.40 0.00 0.00 179.01 177.64 2yug n MET 144 N -3.83 2.03 -3.56 2.33 2.81 -0.47 -4.90 117.12 111.53 2yug n MET 144 Ca -0.02 0.68 -0.24 0.00 -1.81 0.00 0.00 57.70 56.31 2yug n MET 144 Cb 0.23 -2.79 0.03 0.00 -0.71 0.00 0.00 33.22 29.98 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 5.66 1.71 -0.24 2.02 -4.36 0.26 -4.94 121.20 121.31 2yug s ILE 145 Ca 0.97 -1.29 -0.02 0.00 -0.26 0.00 0.00 60.65 60.05 2yug s ILE 145 Cb -0.61 -2.00 0.07 0.00 1.25 0.00 0.00 42.46 41.17 2yug s ILE 145 CO 0.46 0.00 0.04 -0.54 0.24 0.00 0.00 174.94 175.15 2yug s LYS 146 N -4.48 0.84 -0.32 0.37 1.02 -1.13 -3.68 119.74 112.36 2yug s LYS 146 Ca 0.44 -0.74 -0.19 0.00 0.02 0.00 0.00 55.97 55.50 2yug s LYS 146 Cb -0.04 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.12 2yug s LYS 146 CO 0.28 -0.75 0.56 0.42 -0.92 0.00 0.00 175.35 174.94 2yug s ILE 147 N 1.70 4.98 0.34 2.17 1.09 -1.26 -2.57 121.20 127.65 2yug s ILE 147 Ca 0.02 0.60 0.01 0.00 -1.10 0.00 0.00 60.65 60.17 2yug s ILE 147 Cb -0.17 -3.97 -0.03 0.00 -1.06 0.00 0.00 42.46 37.23 2yug s ILE 147 CO -0.14 -0.16 0.53 -0.13 -0.10 0.00 0.00 174.94 174.94 2yug s ARG 148 N 2.48 3.48 -0.04 2.79 0.52 0.87 -2.61 118.95 126.45 2yug s ARG 148 Ca 0.22 -0.36 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 2yug s ARG 148 Cb -0.15 -2.68 0.02 0.00 0.52 0.00 0.00 34.95 32.66 2yug s ARG 148 CO 0.13 0.17 -0.02 0.45 0.02 0.00 0.00 175.30 176.05 2yug s SER 149 N -4.01 0.68 -0.38 0.23 0.15 -0.39 -0.29 113.70 109.70 2yug s SER 149 Ca 0.39 -0.07 0.06 0.00 0.70 0.00 0.00 55.95 57.04 2yug s SER 149 Cb -0.10 -0.31 0.54 0.00 -1.71 0.00 0.00 66.02 64.44 2yug s SER 149 CO 0.35 -0.09 1.63 0.00 1.20 0.00 0.00 173.24 176.33 2yug s ALA 151 N -3.37 3.19 0.04 0.00 0.00 -1.26 -4.91 121.76 115.45 2yug s ALA 151 Ca 0.51 -0.21 -0.31 0.00 0.00 0.00 0.00 51.96 51.95 2yug s ALA 151 Cb 0.44 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.57 2yug s ALA 151 CO 0.03 -0.58 1.33 -2.00 0.00 0.00 0.00 175.76 174.54 2yug s GLU 152 N -5.03 4.34 0.87 0.00 2.12 -1.26 -5.01 118.70 114.74 2yug s GLU 152 Ca 0.53 1.92 -0.13 0.00 0.36 0.00 0.00 54.97 57.65 2yug s GLU 152 Cb -0.11 -3.43 0.12 0.00 0.26 0.00 0.00 34.13 30.98 2yug s GLU 152 CO 0.51 -0.45 1.20 1.03 -0.54 0.00 0.00 175.26 177.01 2yug s ARG 153 N 1.70 1.41 -1.72 4.30 0.52 -1.26 -4.08 118.95 119.82 2yug s ARG 153 Ca 0.62 0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.85 2yug s ARG 153 Cb -0.32 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.26 2yug s ARG 153 CO 0.28 -1.96 0.16 0.39 0.02 0.00 0.00 175.30 174.19 2yug n GLU 154 N -3.55 -2.50 0.00 3.54 1.02 -1.26 -5.32 120.64 112.57 2yug n GLU 154 Ca 0.09 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 2yug n GLU 154 Cb 0.60 -5.69 0.00 0.00 -0.02 0.00 0.00 31.44 26.33 2yug n GLU 154 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56