#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 -0.64 0.54 1.61 0.15 -1.26 -3.25 113.70 110.85 2yug s SER 2 Ca 0.00 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2yug s SER 2 Cb 0.00 1.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.92 2yug s SER 2 CO 0.00 -0.13 0.00 -0.24 1.20 0.00 0.00 173.24 174.07 2yug n SER 3 N 4.67 -8.39 0.00 5.45 2.88 -0.92 -4.87 113.62 112.44 2yug n SER 3 Ca -0.12 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 2yug n SER 3 Cb 0.54 -4.80 0.00 0.00 -0.75 0.00 0.00 64.21 59.19 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 -4.33 2.87 1.74 0.46 0.00 -1.26 -4.36 105.19 100.31 2yug n GLY 4 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2yug n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yug n SER 5 N 1.63 0.00 -3.73 1.61 7.64 -1.26 -5.15 113.62 114.35 2yug n SER 5 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 2yug n SER 5 Cb 0.00 0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 63.60 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 -2.37 2.49 -3.30 6.43 7.64 -1.26 -5.14 113.62 118.11 2yug n SER 6 Ca 0.00 -2.29 -0.08 0.00 1.01 0.00 0.00 58.87 57.50 2yug n SER 6 Cb 0.00 0.10 -0.06 0.00 -1.01 0.00 0.00 64.21 63.24 2yug n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yug s GLY 7 N -2.99 -0.59 -1.06 0.23 0.00 -1.26 -2.15 107.32 99.49 2yug s GLY 7 Ca 0.10 0.31 -0.18 0.00 0.00 0.00 0.00 44.72 44.95 2yug s GLY 7 CO 0.06 3.05 1.33 -2.27 0.00 0.00 0.00 173.10 175.26 2yug s LEU 8 N 2.55 4.72 -0.07 0.66 2.96 -1.20 -4.99 118.68 123.31 2yug s LEU 8 Ca 0.10 -2.29 -0.30 0.00 -0.22 0.00 0.00 54.13 51.42 2yug s LEU 8 Cb -0.13 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 2yug s LEU 8 CO -0.29 -1.04 1.47 -0.62 -1.32 0.00 0.00 176.35 174.55 2yug s ASP 9 N 3.64 6.80 -0.06 3.68 2.15 -1.26 -4.92 116.67 126.69 2yug s ASP 9 Ca 0.40 2.04 0.00 0.00 0.43 0.00 0.00 52.55 55.42 2yug s ASP 9 Cb -0.03 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.07 2yug s ASP 9 CO -0.05 -0.82 -0.04 -0.51 -0.17 0.00 0.00 175.17 173.57 2yug s ILE 10 N 3.44 0.63 -0.49 4.11 2.07 -1.26 -0.76 121.20 128.93 2yug s ILE 10 Ca 0.65 -0.12 -0.01 0.00 -1.41 0.00 0.00 60.65 59.76 2yug s ILE 10 Cb -0.29 -0.67 0.13 0.00 0.13 0.00 0.00 42.46 41.75 2yug s ILE 10 CO 0.24 0.27 0.28 -0.69 -1.91 0.00 0.00 174.94 173.13 2yug s VAL 11 N 1.28 3.23 0.00 4.00 1.01 -0.34 -4.90 120.40 124.68 2yug s VAL 11 Ca -0.05 -2.57 0.00 0.00 0.00 0.00 0.00 61.98 59.36 2yug s VAL 11 Cb -0.14 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2yug s VAL 11 CO -0.02 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 174.93 2yug n GLY 12 N 3.97 0.79 1.38 4.51 0.00 -1.26 -2.29 105.19 112.29 2yug n GLY 12 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.05 -3.67 -0.61 -5.35 -1.26 -5.05 119.36 103.47 2yug n ILE 13 Ca 0.00 -0.64 -0.29 0.00 -0.27 0.00 0.00 62.75 61.55 2yug n ILE 13 Cb 0.00 0.80 -0.16 0.00 -1.74 0.00 0.00 39.64 38.54 2yug n ILE 13 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 2yug s TRP 14 N -0.15 1.00 -0.20 4.28 0.52 -0.97 -4.32 118.94 119.09 2yug s TRP 14 Ca 0.18 -1.15 -0.10 0.00 0.02 0.00 0.00 56.10 55.05 2yug s TRP 14 Cb 0.22 -1.22 -0.05 0.00 -1.15 0.00 0.00 33.47 31.27 2yug s TRP 14 CO -0.09 -0.77 0.12 1.67 0.02 0.00 0.00 176.95 177.91 2yug s TRP 15 N 1.86 3.39 0.18 -1.98 1.48 -0.44 -1.20 118.94 122.24 2yug s TRP 15 Ca 0.06 0.30 -0.30 0.00 -1.06 0.00 0.00 56.10 55.10 2yug s TRP 15 Cb -0.17 -2.15 -0.09 0.00 -1.16 0.00 0.00 33.47 29.90 2yug s TRP 15 CO -0.23 0.27 1.36 0.99 -4.06 0.00 0.00 176.95 175.28 2yug s THR 16 N 0.38 3.13 0.57 0.66 2.01 0.06 -1.90 115.64 120.54 2yug s THR 16 Ca 0.07 0.89 -0.18 0.00 0.31 0.00 0.00 61.69 62.79 2yug s THR 16 Cb -0.11 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2yug s THR 16 CO -0.02 0.11 1.08 0.68 -0.69 0.00 0.00 174.62 175.79 2yug s VAL 17 N 0.41 3.53 -0.10 3.82 -7.23 -1.03 -4.70 120.40 115.12 2yug s VAL 17 Ca 0.60 0.84 0.06 0.00 -1.81 0.00 0.00 61.98 61.66 2yug s VAL 17 Cb -0.38 -3.32 -0.10 0.00 0.56 0.00 0.00 36.38 33.14 2yug s VAL 17 CO 0.36 -0.32 -0.01 -1.20 -0.31 0.00 0.00 175.10 173.63 2yug n SER 18 N -1.64 2.89 -4.17 4.85 7.64 -1.26 -4.93 113.62 117.00 2yug n SER 18 Ca 0.10 -0.02 -0.27 0.00 1.01 0.00 0.00 58.87 59.69 2yug n SER 18 Cb 0.52 0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 64.12 2yug n SER 18 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2yug n ASN 19 N -2.48 2.76 0.09 6.43 6.94 -1.26 -5.03 115.26 122.71 2yug n ASN 19 Ca -0.16 -2.94 -0.14 0.00 -0.02 0.00 0.00 54.58 51.32 2yug n ASN 19 Cb 0.77 0.45 -0.14 0.00 -2.36 0.00 0.00 39.78 38.50 2yug n ASN 19 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2yug h PHE 20 N 1.31 0.37 0.00 -2.53 3.04 -1.97 -3.28 116.94 113.89 2yug h PHE 20 Ca -0.35 -0.27 -0.03 0.00 3.98 0.00 0.00 57.97 61.29 2yug h PHE 20 Cb 1.11 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.60 2yug h PHE 20 CO 0.00 1.22 -0.16 0.78 -2.02 0.00 0.00 178.31 178.14 2yug h GLY 21 N 1.94 0.00 1.65 2.40 0.00 -2.04 -2.36 103.07 104.67 2yug h GLY 21 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 2yug h GLY 21 CO 0.18 0.00 -0.57 0.83 0.00 0.00 0.00 176.54 176.98 2yug h GLU 22 N 0.00 0.36 -6.26 4.80 4.39 -1.98 -3.41 114.58 112.48 2yug h GLU 22 Ca -0.00 -0.24 -0.55 0.00 0.34 0.00 0.00 59.36 58.91 2yug h GLU 22 Cb 0.31 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 2yug h GLU 22 CO 0.02 0.83 1.23 0.42 -1.16 0.00 0.00 179.01 180.36 2yug s ILE 23 N -3.87 3.57 -0.29 3.13 1.01 -0.89 -4.92 121.20 118.94 2yug s ILE 23 Ca -0.05 0.51 -0.17 0.00 0.00 0.00 0.00 60.65 60.95 2yug s ILE 23 Cb 0.12 -3.95 0.14 0.00 0.01 0.00 0.00 42.46 38.77 2yug s ILE 23 CO 0.81 -0.73 0.95 -0.44 0.00 0.00 0.00 174.94 175.54 2yug s SER 24 N 5.99 -0.54 0.00 3.58 0.01 -1.26 -4.84 113.70 116.64 2yug s SER 24 Ca 0.69 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.82 2yug s SER 24 Cb -0.16 1.20 0.00 0.00 0.21 0.00 0.00 66.02 67.27 2yug s SER 24 CO 0.29 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.41 2yug n GLY 25 N 3.67 -1.16 3.74 3.44 0.00 -0.45 -4.88 105.19 109.54 2yug n GLY 25 Ca -0.18 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 2.02 0.28 2.61 2.01 -1.26 0.54 115.64 121.85 2yug s THR 26 Ca 0.00 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 2yug s THR 26 Cb 0.00 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 2yug s THR 26 CO 0.00 0.00 0.33 0.27 -0.69 0.00 0.00 174.62 174.54 2yug s ILE 27 N 0.53 0.00 -0.16 1.82 -4.36 0.86 -3.74 121.20 116.14 2yug s ILE 27 Ca 0.69 -1.76 -0.04 0.00 -0.26 0.00 0.00 60.65 59.27 2yug s ILE 27 Cb -0.49 -2.49 0.06 0.00 1.25 0.00 0.00 42.46 40.80 2yug s ILE 27 CO 0.41 0.00 0.12 0.00 0.24 0.00 0.00 174.94 175.71 2yug s ALA 28 N -3.64 0.21 0.43 2.27 0.00 -0.90 -0.73 121.76 119.39 2yug s ALA 28 Ca 0.34 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.16 2yug s ALA 28 Cb 0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2yug s ALA 28 CO 0.17 -1.09 0.72 0.42 0.00 0.00 0.00 175.76 175.98 2yug s ILE 29 N 2.19 4.93 -0.26 0.00 1.01 -1.26 -0.40 121.20 127.42 2yug s ILE 29 Ca 0.03 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 2yug s ILE 29 Cb -0.15 -3.82 0.10 0.00 0.01 0.00 0.00 42.46 38.60 2yug s ILE 29 CO -0.09 -0.69 0.19 -0.70 0.00 0.00 0.00 174.94 173.65 2yug s GLU 30 N -4.38 0.21 0.00 2.79 2.12 -1.12 -4.35 118.70 113.98 2yug s GLU 30 Ca 0.47 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.59 2yug s GLU 30 Cb -0.10 -1.11 0.00 0.00 0.26 0.00 0.00 34.13 33.18 2yug s GLU 30 CO 0.39 -0.90 0.40 -1.33 -0.54 0.00 0.00 175.26 173.28 2yug n MET 31 N 5.29 0.00 -1.73 4.30 2.81 -1.20 -3.05 117.12 123.54 2yug n MET 31 Ca -0.05 0.24 -0.30 0.00 -1.81 0.00 0.00 57.70 55.78 2yug n MET 31 Cb 0.46 -1.01 0.22 0.00 -0.71 0.00 0.00 33.22 32.18 2yug n MET 31 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2yug s ASP 32 N -1.97 2.22 -1.27 7.83 2.15 -1.25 -4.72 116.67 119.66 2yug s ASP 32 Ca 0.00 0.22 -0.19 0.00 0.43 0.00 0.00 52.55 53.01 2yug s ASP 32 Cb 0.00 -0.20 0.04 0.00 -0.30 0.00 0.00 42.92 42.45 2yug s ASP 32 CO 0.00 -3.29 1.77 -0.54 -0.17 0.00 0.00 175.17 172.95 2yug s LYS 33 N -5.86 3.66 0.00 4.34 -0.14 -1.26 -3.51 119.74 116.97 2yug s LYS 33 Ca 0.76 -1.80 0.00 0.00 -1.36 0.00 0.00 55.97 53.57 2yug s LYS 33 Cb -0.03 -5.47 0.00 0.00 -1.68 0.00 0.00 37.83 30.65 2yug s LYS 33 CO 0.54 -2.63 0.00 0.41 -0.76 0.00 0.00 175.35 172.92 2yug n GLY 34 N 5.53 1.16 3.78 -3.33 0.00 -1.26 -4.97 105.19 106.11 2yug n GLY 34 Ca 0.48 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 2yug n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yug s ALA 35 N -1.51 3.15 0.34 4.61 0.00 -1.23 -4.01 121.76 123.11 2yug s ALA 35 Ca 0.00 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.63 2yug s ALA 35 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 2yug s ALA 35 CO 0.00 -0.00 -0.03 0.71 0.00 0.00 0.00 175.76 176.44 2yug s TYR 36 N -1.67 2.23 -0.42 0.00 1.51 -1.25 -3.25 117.35 114.51 2yug s TYR 36 Ca 0.54 -0.69 -0.26 0.00 -1.01 0.00 0.00 57.07 55.65 2yug s TYR 36 Cb -0.20 -1.40 0.02 0.00 -0.11 0.00 0.00 41.96 40.27 2yug s TYR 36 CO 0.25 0.35 0.94 0.42 -1.11 0.00 0.00 175.55 176.40 2yug s ILE 37 N -2.88 4.51 0.19 2.71 1.01 -1.26 0.33 121.20 125.81 2yug s ILE 37 Ca 0.33 0.99 -0.06 0.00 0.00 0.00 0.00 60.65 61.91 2yug s ILE 37 Cb 0.06 -4.40 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 2yug s ILE 37 CO 0.15 -0.70 0.45 -2.28 0.00 0.00 0.00 174.94 172.57 2yug s HIS 38 N 3.66 3.46 0.03 3.97 2.46 0.39 -4.47 115.29 124.78 2yug s HIS 38 Ca 0.38 0.66 0.02 0.00 0.47 0.00 0.00 55.06 56.60 2yug s HIS 38 Cb -0.11 -2.09 -0.04 0.00 -0.13 0.00 0.00 32.58 30.21 2yug s HIS 38 CO 0.23 0.35 0.01 0.00 -2.47 0.00 0.00 174.74 172.86 2yug s ALA 39 N -1.77 3.33 0.13 1.58 0.00 -1.26 -1.99 121.76 121.79 2yug s ALA 39 Ca 0.43 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.49 2yug s ALA 39 Cb -0.12 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 2yug s ALA 39 CO 0.24 0.67 -0.12 -0.51 0.00 0.00 0.00 175.76 176.04 2yug s LEU 40 N -1.81 2.92 0.17 0.00 1.43 0.75 -4.92 118.68 117.22 2yug s LEU 40 Ca 0.22 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2yug s LEU 40 Cb -0.12 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.45 2yug s LEU 40 CO 0.13 0.16 1.42 -0.78 0.23 0.00 0.00 176.35 177.51 2yug h ASP 41 N 3.44 0.42 -0.07 2.29 3.58 -1.99 -3.11 116.42 120.99 2yug h ASP 41 Ca -0.49 -0.29 0.01 0.00 0.42 0.00 0.00 57.03 56.68 2yug h ASP 41 Cb 1.18 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 2yug h ASP 41 CO 0.51 1.04 0.05 -1.13 -2.88 0.00 0.00 179.24 176.82 2yug h ASN 42 N 0.23 0.04 0.00 2.28 -1.24 -1.99 -3.45 115.58 111.45 2yug h ASN 42 Ca -0.04 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.97 2yug h ASN 42 Cb 1.35 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.39 2yug h ASN 42 CO 0.13 0.03 0.00 0.61 -1.29 0.00 0.00 177.43 176.91 2yug n GLY 43 N -1.54 1.19 3.31 1.57 0.00 -1.17 -5.10 105.19 103.45 2yug n GLY 43 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 1.73 -0.01 0.99 1.43 -1.25 -4.29 118.68 117.28 2yug s LEU 44 Ca 0.00 -1.77 -0.01 0.00 -1.03 0.00 0.00 54.13 51.33 2yug s LEU 44 Cb 0.00 0.66 0.01 0.00 0.03 0.00 0.00 46.19 46.89 2yug s LEU 44 CO 0.00 -1.11 0.03 -0.36 0.23 0.00 0.00 176.35 175.14 2yug s PHE 45 N -3.34 -0.02 0.12 0.29 0.40 -1.26 -0.18 117.98 113.99 2yug s PHE 45 Ca 0.40 0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.83 2yug s PHE 45 Cb 0.02 -0.04 -0.04 0.00 0.51 0.00 0.00 43.02 43.46 2yug s PHE 45 CO 0.28 -0.03 -0.05 -0.08 0.70 0.00 0.00 175.22 176.05 2yug s THR 46 N 0.24 0.67 0.02 0.64 -1.32 -0.84 -4.01 115.64 111.03 2yug s THR 46 Ca -0.02 -1.94 -0.30 0.00 -1.21 0.00 0.00 61.69 58.21 2yug s THR 46 Cb -0.03 -1.79 -0.06 0.00 -1.51 0.00 0.00 72.50 69.11 2yug s THR 46 CO -0.01 -0.77 1.49 -0.22 -2.21 0.00 0.00 174.62 172.91 2yug s LEU 47 N -3.07 4.33 0.54 9.08 2.96 -1.26 -0.46 118.68 130.79 2yug s LEU 47 Ca 0.15 2.24 -0.16 0.00 -0.22 0.00 0.00 54.13 56.14 2yug s LEU 47 Cb 0.06 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.12 2yug s LEU 47 CO -0.03 -0.78 1.00 -0.83 -1.32 0.00 0.00 176.35 174.39 2yug s GLY 48 N 2.11 2.00 -0.21 7.98 0.00 0.15 -4.84 107.32 114.52 2yug s GLY 48 Ca 0.67 0.15 -0.29 0.00 0.00 0.00 0.00 44.72 45.26 2yug s GLY 48 CO 0.28 0.43 1.77 0.00 0.00 0.00 0.00 173.10 175.58 2yug s ALA 49 N -2.70 3.17 1.08 3.20 0.00 -1.26 -3.84 121.76 121.41 2yug s ALA 49 Ca 0.59 0.58 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 2yug s ALA 49 Cb -0.11 -3.91 0.18 0.00 0.00 0.00 0.00 23.12 19.29 2yug s ALA 49 CO 0.35 -2.13 0.32 -2.30 0.00 0.00 0.00 175.76 172.01 2yug n PRO 50 N 7.92 -2.45 -4.41 0.00 -0.02 -1.26 -4.87 135.00 129.90 2yug n PRO 50 Ca 0.21 -0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 60.65 2yug n PRO 50 Cb 0.45 -1.57 -0.10 0.00 -0.02 0.00 0.00 33.50 32.26 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 -2.11 2.92 -0.04 6.00 3.76 -1.26 -4.99 115.29 119.58 2yug s HIS 51 Ca 0.43 -0.02 -0.22 0.00 -0.15 0.00 0.00 55.06 55.10 2yug s HIS 51 Cb -0.08 -1.61 -0.16 0.00 1.11 0.00 0.00 32.58 31.84 2yug s HIS 51 CO 0.42 0.39 0.94 -0.09 -0.85 0.00 0.00 174.74 175.55 2yug h ARG 52 N 4.44 -0.23 -7.06 1.40 2.43 -1.98 -3.45 114.38 109.93 2yug h ARG 52 Ca -0.48 0.02 -0.54 0.00 -0.81 0.00 0.00 59.98 58.16 2yug h ARG 52 Cb 1.17 0.05 0.13 0.00 -0.42 0.00 0.00 29.97 30.90 2yug h ARG 52 CO 0.54 0.18 0.56 -1.21 -1.51 0.00 0.00 179.97 178.53 2yug s GLU 53 N -3.63 3.12 0.22 0.20 2.02 -1.26 -4.93 118.70 114.44 2yug s GLU 53 Ca -0.13 2.09 -0.00 0.00 0.02 0.00 0.00 54.97 56.95 2yug s GLU 53 Cb 0.01 -2.18 0.21 0.00 0.10 0.00 0.00 34.13 32.27 2yug s GLU 53 CO 0.49 -1.16 1.56 0.28 0.02 0.00 0.00 175.26 176.45 2yug h VAL 54 N 1.30 1.33 -3.57 2.63 2.07 -2.06 -3.38 116.25 114.57 2yug h VAL 54 Ca -0.51 -1.74 -0.73 0.00 0.82 0.00 0.00 66.70 64.54 2yug h VAL 54 Cb 1.30 1.75 -0.32 0.00 -1.52 0.00 0.00 31.29 32.50 2yug h VAL 54 CO 0.57 0.54 -0.26 -1.81 0.02 0.00 0.00 177.57 176.63 2yug s ASP 55 N -6.89 5.71 -0.06 0.57 1.01 -1.26 -5.03 116.67 110.72 2yug s ASP 55 Ca -0.06 -2.62 -0.03 0.00 0.71 0.00 0.00 52.55 50.54 2yug s ASP 55 Cb 0.12 -1.97 0.04 0.00 1.01 0.00 0.00 42.92 42.11 2yug s ASP 55 CO 0.82 -0.48 0.15 -0.70 0.21 0.00 0.00 175.17 175.16 2yug s GLU 56 N 0.28 0.10 0.34 8.23 2.12 -1.26 -5.00 118.70 123.51 2yug s GLU 56 Ca 0.15 0.35 -0.21 0.00 0.36 0.00 0.00 54.97 55.62 2yug s GLU 56 Cb -0.19 -0.15 -0.10 0.00 0.26 0.00 0.00 34.13 33.96 2yug s GLU 56 CO -0.04 -0.15 0.86 0.20 -0.54 0.00 0.00 175.26 175.59 2yug s GLY 57 N 1.03 2.52 0.71 -1.50 0.00 -1.26 -5.04 107.32 103.78 2yug s GLY 57 Ca -0.08 0.31 -0.13 0.00 0.00 0.00 0.00 44.72 44.83 2yug s GLY 57 CO -0.05 0.63 1.09 2.56 0.00 0.00 0.00 173.10 177.33 2yug s PRO 58 N -2.64 2.60 0.67 2.90 0.04 -1.26 -5.04 135.00 132.27 2yug s PRO 58 Ca 0.54 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 2yug s PRO 58 Cb -0.13 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.47 2yug s PRO 58 CO 0.18 -1.38 1.06 -1.12 0.04 0.00 0.00 177.00 175.78 2yug s SER 59 N -3.05 5.73 0.19 6.66 0.01 -1.26 -4.90 113.70 117.08 2yug s SER 59 Ca 0.63 1.21 -0.11 0.00 1.31 0.00 0.00 55.95 58.99 2yug s SER 59 Cb -0.18 -2.11 0.21 0.00 0.21 0.00 0.00 66.02 64.15 2yug s SER 59 CO 0.49 -1.16 1.76 -0.65 0.41 0.00 0.00 173.24 174.08 2yug h PRO 60 N -0.52 0.42 -0.59 12.44 0.11 -1.96 -1.54 132.00 140.37 2yug h PRO 60 Ca -0.45 -0.03 0.17 0.00 0.11 0.00 0.00 66.00 65.81 2yug h PRO 60 Cb 1.23 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2yug h PRO 60 CO 0.63 0.28 0.52 -1.35 -0.21 0.00 0.00 178.00 177.86 2yug h PRO 61 N 0.43 0.00 0.00 1.05 0.11 -1.94 0.21 132.00 131.86 2yug h PRO 61 Ca 0.27 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.26 2yug h PRO 61 Cb 0.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 2yug h PRO 61 CO -0.24 0.00 -1.35 0.39 -0.21 0.00 0.00 178.00 176.58 2yug n GLU 62 N -3.94 0.62 -1.85 1.05 1.02 -0.63 -4.13 120.64 112.77 2yug n GLU 62 Ca 0.11 0.16 -0.43 0.00 -0.02 0.00 0.00 57.16 56.99 2yug n GLU 62 Cb 0.75 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 2yug n GLU 62 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2yug s GLN 63 N -3.08 3.80 0.58 3.49 -0.21 0.73 -4.71 119.66 120.25 2yug s GLN 63 Ca -0.03 2.10 0.08 0.00 0.02 0.00 0.00 55.36 57.53 2yug s GLN 63 Cb 0.09 -4.15 0.08 0.00 1.00 0.00 0.00 33.01 30.03 2yug s GLN 63 CO 0.81 -1.32 0.64 1.19 -2.12 0.00 0.00 175.29 174.49 2yug n PHE 64 N 8.76 -1.50 -3.73 0.91 3.72 0.09 -2.90 117.46 122.80 2yug n PHE 64 Ca 0.21 -2.28 -0.21 0.00 -0.05 0.00 0.00 57.45 55.13 2yug n PHE 64 Cb 0.44 -0.52 -0.18 0.00 -0.94 0.00 0.00 39.48 38.28 2yug n PHE 64 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2yug s THR 65 N -2.75 0.12 0.17 4.37 2.01 -0.45 -0.10 115.64 119.01 2yug s THR 65 Ca 0.49 0.27 -0.02 0.00 0.31 0.00 0.00 61.69 62.74 2yug s THR 65 Cb -0.04 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 2yug s THR 65 CO 0.31 0.21 0.37 0.00 -0.69 0.00 0.00 174.62 174.82 2yug s ALA 66 N 2.00 3.84 -0.10 7.40 0.00 0.19 -0.43 121.76 134.66 2yug s ALA 66 Ca 0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 2yug s ALA 66 Cb -0.12 -2.01 0.04 0.00 0.00 0.00 0.00 23.12 21.03 2yug s ALA 66 CO -0.04 0.53 0.22 0.08 0.00 0.00 0.00 175.76 176.55 2yug s VAL 67 N -1.79 -0.04 0.46 0.00 1.01 -0.13 -1.34 120.40 118.57 2yug s VAL 67 Ca 0.39 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 2yug s VAL 67 Cb -0.11 -0.35 -0.07 0.00 0.00 0.00 0.00 36.38 35.84 2yug s VAL 67 CO 0.28 0.06 1.14 -0.54 0.00 0.00 0.00 175.10 176.04 2yug s LYS 68 N 1.23 3.76 0.00 2.72 1.02 -1.26 0.12 119.74 127.33 2yug s LYS 68 Ca -0.09 1.70 0.00 0.00 0.02 0.00 0.00 55.97 57.60 2yug s LYS 68 Cb -0.11 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 2yug s LYS 68 CO -0.08 -0.53 0.00 1.28 -0.92 0.00 0.00 175.35 175.10 2yug n LEU 69 N -0.56 0.00 0.00 3.17 4.77 -0.85 -4.87 117.00 118.66 2yug n LEU 69 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2yug n LEU 69 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2yug n LEU 69 CO 0.46 -0.38 0.00 -1.54 -1.33 0.00 0.00 177.39 174.60 2yug n SER 70 N -2.15 0.00 -3.36 -1.43 3.41 -1.22 -4.97 113.62 103.90 2yug n SER 70 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 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 0.47 -0.16 0.00 0.00 175.04 175.35 2yug n ASP 71 N 0.00 -5.84 -2.38 4.04 9.92 -1.26 -1.21 116.55 119.82 2yug n ASP 71 Ca 0.00 -0.44 -0.20 0.00 -0.53 0.00 0.00 54.79 53.62 2yug n ASP 71 Cb 0.00 -4.67 -0.00 0.00 -0.64 0.00 0.00 41.12 35.81 2yug n ASP 71 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2yug n SER 72 N -2.70 -5.71 -4.35 -2.24 7.64 -1.26 -4.97 113.62 100.02 2yug n SER 72 Ca -0.04 -0.07 -0.38 0.00 1.01 0.00 0.00 58.87 59.38 2yug n SER 72 Cb 0.58 -4.70 -0.12 0.00 -1.01 0.00 0.00 64.21 58.96 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 -5.13 2.97 0.21 1.43 1.81 -0.35 -4.22 118.95 115.68 2yug s ARG 73 Ca 0.06 -0.96 0.05 0.00 -1.72 0.00 0.00 55.73 53.17 2yug s ARG 73 Cb -0.03 -3.51 -0.03 0.00 -0.45 0.00 0.00 34.95 30.93 2yug s ARG 73 CO 0.08 -0.55 0.26 0.96 -0.68 0.00 0.00 175.30 175.37 2yug s ILE 74 N 1.51 4.93 -0.18 1.52 -4.36 -0.66 -2.01 121.20 121.94 2yug s ILE 74 Ca 0.02 -1.05 -0.02 0.00 -0.26 0.00 0.00 60.65 59.34 2yug s ILE 74 Cb -0.18 -3.62 -0.00 0.00 1.25 0.00 0.00 42.46 39.90 2yug s ILE 74 CO 0.04 -0.25 -0.11 0.00 0.24 0.00 0.00 174.94 174.86 2yug s ALA 75 N -1.94 2.63 0.36 2.27 0.00 0.12 -0.72 121.76 124.48 2yug s ALA 75 Ca 0.33 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 2yug s ALA 75 Cb -0.09 -1.43 -0.06 0.00 0.00 0.00 0.00 23.12 21.54 2yug s ALA 75 CO 0.27 -0.22 0.69 -0.51 0.00 0.00 0.00 175.76 175.99 2yug s LEU 76 N 1.12 3.92 -0.02 0.00 1.43 -1.26 -0.95 118.68 122.92 2yug s LEU 76 Ca 0.01 1.00 -0.00 0.00 -1.03 0.00 0.00 54.13 54.11 2yug s LEU 76 Cb -0.14 -3.86 0.03 0.00 0.03 0.00 0.00 46.19 42.25 2yug s LEU 76 CO -0.03 -0.32 0.03 -0.75 0.23 0.00 0.00 176.35 175.52 2yug s LYS 77 N -3.68 -0.04 0.60 1.70 2.20 0.43 -2.90 119.74 118.05 2yug s LYS 77 Ca 0.49 0.20 -0.18 0.00 -0.36 0.00 0.00 55.97 56.12 2yug s LYS 77 Cb -0.10 -0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 35.92 2yug s LYS 77 CO 0.30 -0.18 1.21 -1.54 -0.36 0.00 0.00 175.35 174.77 2yug s SER 78 N 1.16 5.12 0.57 1.43 1.04 0.29 -1.35 113.70 121.96 2yug s SER 78 Ca -0.08 2.38 0.27 0.00 0.48 0.00 0.00 55.95 59.00 2yug s SER 78 Cb -0.13 -2.60 1.60 0.00 0.10 0.00 0.00 66.02 64.99 2yug s SER 78 CO -0.03 -1.64 2.11 1.23 0.98 0.00 0.00 173.24 175.89 2yug h GLY 79 N 0.78 0.00 1.28 7.32 0.00 -1.70 -1.08 103.07 109.67 2yug h GLY 79 Ca -0.50 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 2yug h GLY 79 CO 0.55 0.00 -0.33 -0.97 0.00 0.00 0.00 176.54 175.79 2yug h TYR 80 N 0.00 0.94 0.00 5.60 0.05 -1.87 -3.47 116.97 118.21 2yug h TYR 80 Ca 0.09 -0.25 0.00 0.00 0.05 0.00 0.00 58.73 58.61 2yug h TYR 80 Cb 0.43 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.96 2yug h TYR 80 CO 0.00 1.02 0.00 0.41 -1.05 0.00 0.00 178.16 178.54 2yug n GLY 81 N -0.04 0.79 3.92 3.88 0.00 -0.41 -5.14 105.19 108.19 2yug n GLY 81 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 1.46 -0.02 1.61 1.02 -1.26 -4.77 119.74 117.78 2yug s LYS 82 Ca 0.00 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 55.81 2yug s LYS 82 Cb 0.00 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 2yug s LYS 82 CO 0.00 -1.87 -0.05 0.71 -0.92 0.00 0.00 175.35 173.23 2yug s TYR 83 N -3.64 2.96 -0.30 3.18 1.51 0.52 0.10 117.35 121.68 2yug s TYR 83 Ca 0.67 0.02 -0.29 0.00 -1.01 0.00 0.00 57.07 56.46 2yug s TYR 83 Cb -0.08 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 2yug s TYR 83 CO 0.50 0.39 1.25 -0.51 -1.11 0.00 0.00 175.55 176.07 2yug s LEU 84 N -1.27 3.89 -0.08 -1.29 1.43 -1.14 -3.64 118.68 116.58 2yug s LEU 84 Ca 0.16 1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 54.43 2yug s LEU 84 Cb -0.11 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.59 2yug s LEU 84 CO 0.06 -1.04 -0.04 -0.83 0.23 0.00 0.00 176.35 174.74 2yug s GLY 85 N 2.54 0.62 -0.07 -3.19 0.00 0.29 -4.20 107.32 103.32 2yug s GLY 85 Ca 0.54 -0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.67 2yug s GLY 85 CO 0.22 0.88 1.47 -0.26 0.00 0.00 0.00 173.10 175.41 2yug s ILE 86 N 1.68 3.80 1.33 0.90 -5.25 -1.23 -2.58 121.20 119.85 2yug s ILE 86 Ca 0.02 1.05 -0.19 0.00 -0.99 0.00 0.00 60.65 60.54 2yug s ILE 86 Cb -0.13 -3.67 0.34 0.00 2.95 0.00 0.00 42.46 41.95 2yug s ILE 86 CO -0.05 -0.07 0.96 0.21 -1.79 0.00 0.00 174.94 174.20 2yug s ASN 87 N 2.53 -0.38 0.10 4.36 3.84 0.81 -4.86 114.94 121.34 2yug s ASN 87 Ca 0.65 1.16 -0.13 0.00 0.21 0.00 0.00 52.86 54.76 2yug s ASN 87 Cb -0.30 -1.73 -0.16 0.00 -0.55 0.00 0.00 41.25 38.51 2yug s ASN 87 CO 0.24 -4.99 1.29 -1.28 -2.79 0.00 0.00 177.10 169.58 2yug h SER 88 N -3.16 0.94 -0.05 -4.21 0.87 -1.94 -3.13 113.55 102.86 2yug h SER 88 Ca -0.52 -0.63 0.01 0.00 -1.23 0.00 0.00 61.79 59.42 2yug h SER 88 Cb 1.34 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2yug h SER 88 CO 0.38 1.44 0.04 0.44 -0.53 0.00 0.00 176.83 178.59 2yug h ASP 89 N 0.52 0.00 0.00 6.23 3.32 -2.03 -3.45 116.42 121.01 2yug h ASP 89 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2yug h ASP 89 Cb 1.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.00 2yug h ASP 89 CO 0.17 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 2yug n GLY 90 N -1.53 1.92 3.30 2.75 0.00 -1.18 -5.05 105.19 105.40 2yug n GLY 90 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 2.43 -0.28 0.99 2.96 -1.26 -1.84 118.68 121.69 2yug s LEU 91 Ca 0.00 -0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 53.18 2yug s LEU 91 Cb 0.00 -1.52 -0.00 0.00 0.50 0.00 0.00 46.19 45.17 2yug s LEU 91 CO 0.00 0.16 1.30 -0.69 -1.32 0.00 0.00 176.35 175.79 2yug s VAL 92 N 0.38 4.17 0.38 1.68 1.01 -0.87 -0.13 120.40 127.01 2yug s VAL 92 Ca -0.14 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.24 2yug s VAL 92 Cb -0.17 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 2yug s VAL 92 CO 0.07 -0.42 0.22 1.33 0.00 0.00 0.00 175.10 176.31 2yug n VAL 93 N 6.07 0.00 -3.16 2.92 0.24 -1.06 -4.28 118.33 119.05 2yug n VAL 93 Ca 0.15 -2.48 0.03 0.00 -2.04 0.00 0.00 64.34 59.99 2yug n VAL 93 Cb 0.46 1.08 -0.00 0.00 -1.47 0.00 0.00 33.84 33.91 2yug n VAL 93 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2yug s GLY 94 N -3.49 -1.23 -0.35 7.63 0.00 -1.26 0.10 107.32 108.72 2yug s GLY 94 Ca 0.32 0.93 0.14 0.00 0.00 0.00 0.00 44.72 46.10 2yug s GLY 94 CO 0.22 3.65 1.16 -0.96 0.00 0.00 0.00 173.10 177.18 2yug n ARG 95 N 5.32 1.20 -3.82 2.90 1.85 -1.24 -4.74 116.66 118.13 2yug n ARG 95 Ca 0.05 -2.54 -0.12 0.00 -1.00 0.00 0.00 57.85 54.24 2yug n ARG 95 Cb 0.54 -0.65 -0.11 0.00 -1.05 0.00 0.00 32.46 31.18 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 -2.22 -0.13 -0.47 2.89 0.01 -1.26 -4.97 113.70 107.55 2yug s SER 96 Ca 0.24 0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.72 2yug s SER 96 Cb 0.43 0.33 0.63 0.00 0.21 0.00 0.00 66.02 67.62 2yug s SER 96 CO -0.03 -0.19 1.92 0.47 0.41 0.00 0.00 173.24 175.82 2yug n ASP 97 N 2.38 4.24 -3.97 2.44 8.00 -1.26 -0.36 116.55 128.03 2yug n ASP 97 Ca -0.16 -3.64 -0.09 0.00 0.71 0.00 0.00 54.79 51.61 2yug n ASP 97 Cb 0.57 -0.85 -0.08 0.00 -0.02 0.00 0.00 41.12 40.74 2yug n ASP 97 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yug s ALA 98 N -3.37 0.12 -0.68 2.24 0.00 -1.26 -5.01 121.76 113.80 2yug s ALA 98 Ca 0.58 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 2yug s ALA 98 Cb 0.48 0.53 0.13 0.00 0.00 0.00 0.00 23.12 24.26 2yug s ALA 98 CO 0.09 -0.49 0.77 0.42 0.00 0.00 0.00 175.76 176.55 2yug s ILE 99 N -3.91 4.95 0.42 0.00 1.01 -1.26 -4.76 121.20 117.65 2yug s ILE 99 Ca 0.09 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.41 2yug s ILE 99 Cb 0.06 -4.53 -0.01 0.00 0.01 0.00 0.00 42.46 37.99 2yug s ILE 99 CO -0.08 -1.16 0.64 -0.83 0.00 0.00 0.00 174.94 173.51 2yug s GLY 100 N 3.39 1.52 0.28 6.18 0.00 -1.26 -4.97 107.32 112.47 2yug s GLY 100 Ca 0.15 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.86 2yug s GLY 100 CO 0.01 -0.89 1.78 -2.55 0.00 0.00 0.00 173.10 171.46 2yug h PRO 101 N 0.49 0.74 0.00 2.90 0.11 -1.96 0.87 132.00 135.15 2yug h PRO 101 Ca -0.47 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 2yug h PRO 101 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2yug h PRO 101 CO 0.58 0.49 -0.36 0.00 -0.21 0.00 0.00 178.00 178.50 2yug h ARG 102 N 0.76 0.00 0.00 1.05 3.08 -1.94 -2.54 114.38 114.79 2yug h ARG 102 Ca 0.51 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.47 2yug h ARG 102 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2yug h ARG 102 CO -0.34 0.36 -0.41 0.93 -1.07 0.00 0.00 179.97 179.44 2yug h GLU 103 N 0.00 0.00 -6.77 0.04 3.07 -1.00 -3.27 114.58 106.65 2yug h GLU 103 Ca -0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.31 2yug h GLU 103 Cb 0.65 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.65 2yug h GLU 103 CO 0.05 0.41 0.81 1.04 -1.40 0.00 0.00 179.01 179.92 2yug n GLN 104 N -3.73 2.57 -5.23 2.33 6.02 -0.96 -4.34 117.38 114.04 2yug n GLN 104 Ca -0.01 0.91 -0.31 0.00 -0.01 0.00 0.00 57.00 57.59 2yug n GLN 104 Cb 0.48 -2.66 -0.16 0.00 1.02 0.00 0.00 30.24 28.92 2yug n GLN 104 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2yug s TRP 105 N -0.15 2.31 -0.60 1.08 0.52 0.10 -3.34 118.94 118.87 2yug s TRP 105 Ca 0.63 -0.60 -0.05 0.00 0.02 0.00 0.00 56.10 56.10 2yug s TRP 105 Cb -0.52 -1.51 0.16 0.00 -1.15 0.00 0.00 33.47 30.45 2yug s TRP 105 CO 0.50 -0.15 0.43 -2.00 0.02 0.00 0.00 176.95 175.76 2yug s GLU 106 N -0.29 2.60 0.89 4.98 2.12 -0.48 -1.66 118.70 126.86 2yug s GLU 106 Ca 0.01 -2.31 -0.12 0.00 0.36 0.00 0.00 54.97 52.92 2yug s GLU 106 Cb -0.12 -3.83 0.13 0.00 0.26 0.00 0.00 34.13 30.57 2yug s GLU 106 CO 0.02 -1.18 1.09 -1.25 -0.54 0.00 0.00 175.26 173.41 2yug s PRO 107 N 0.35 1.29 0.01 4.30 0.04 -1.26 -2.50 135.00 137.22 2yug s PRO 107 Ca 0.14 0.81 -0.15 0.00 0.04 0.00 0.00 61.00 61.84 2yug s PRO 107 Cb -0.20 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2yug s PRO 107 CO -0.04 -2.22 0.32 0.08 0.04 0.00 0.00 177.00 175.19 2yug s VAL 108 N -2.95 0.06 -0.12 -0.36 1.01 -1.24 -4.92 120.40 111.89 2yug s VAL 108 Ca 0.63 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2yug s VAL 108 Cb -0.18 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.49 2yug s VAL 108 CO 0.57 -0.29 -0.07 -0.36 0.00 0.00 0.00 175.10 174.95 2yug s PHE 109 N -1.75 1.45 -0.10 5.22 0.08 -1.26 -3.22 117.98 118.39 2yug s PHE 109 Ca -0.10 -0.75 -0.03 0.00 0.12 0.00 0.00 56.93 56.17 2yug s PHE 109 Cb -0.04 -1.21 0.04 0.00 -0.57 0.00 0.00 43.02 41.25 2yug s PHE 109 CO 0.02 -0.52 0.05 -1.14 -0.10 0.00 0.00 175.22 173.53 2yug s GLN 110 N 1.72 0.22 -1.75 0.44 0.74 -0.77 -4.82 119.66 115.44 2yug s GLN 110 Ca 0.04 0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.53 2yug s GLN 110 Cb -0.13 -1.21 0.00 0.00 1.10 0.00 0.00 33.01 32.77 2yug s GLN 110 CO -0.08 -0.46 0.00 -0.25 -0.55 0.00 0.00 175.29 173.95 2yug n ASP 111 N 5.22 -5.79 0.00 6.67 8.00 -1.26 -1.65 116.55 127.75 2yug n ASP 111 Ca -0.06 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2yug n ASP 111 Cb 0.49 -4.83 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 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 -0.99 2.79 3.56 0.44 0.00 -1.26 -5.03 105.19 104.70 2yug n GLY 112 Ca -0.24 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.24 -3.49 1.61 5.02 -0.66 -5.02 118.16 112.38 2yug n LYS 113 Ca 0.00 -1.77 -0.12 0.00 -2.02 0.00 0.00 58.31 54.40 2yug n LYS 113 Cb 0.00 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.30 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 -5.52 0.98 -0.19 1.97 0.23 -1.25 -1.84 119.30 113.68 2yug s MET 114 Ca 0.72 -0.19 -0.07 0.00 -1.03 0.00 0.00 55.69 55.12 2yug s MET 114 Cb -0.07 0.45 0.09 0.00 -1.53 0.00 0.00 34.83 33.77 2yug s MET 114 CO 0.56 -0.39 0.40 0.00 -2.03 0.00 0.00 175.02 173.55 2yug s ALA 115 N -2.69 -1.07 -0.02 3.16 0.00 -1.20 -0.68 121.76 119.25 2yug s ALA 115 Ca -0.00 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 2yug s ALA 115 Cb -0.01 -1.27 -0.06 0.00 0.00 0.00 0.00 23.12 21.79 2yug s ALA 115 CO -0.05 -0.72 1.52 -1.17 0.00 0.00 0.00 175.76 175.34 2yug s LEU 116 N 2.53 4.31 -0.22 0.00 2.96 -1.26 -3.71 118.68 123.28 2yug s LEU 116 Ca -0.02 2.17 -0.07 0.00 -0.22 0.00 0.00 54.13 56.00 2yug s LEU 116 Cb -0.12 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 2yug s LEU 116 CO -0.12 -0.82 0.06 -0.22 -1.32 0.00 0.00 176.35 173.92 2yug s LEU 117 N 3.13 3.50 1.03 -0.68 2.96 -1.04 -2.19 118.68 125.39 2yug s LEU 117 Ca 0.68 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 54.34 2yug s LEU 117 Cb -0.32 -1.92 0.21 0.00 0.50 0.00 0.00 46.19 44.66 2yug s LEU 117 CO 0.27 0.03 1.08 0.00 -1.32 0.00 0.00 176.35 176.42 2yug s ALA 118 N 1.21 0.57 -0.65 5.97 0.00 0.45 -1.38 121.76 127.93 2yug s ALA 118 Ca 0.04 0.14 0.20 0.00 0.00 0.00 0.00 51.96 52.34 2yug s ALA 118 Cb -0.14 -3.31 0.85 0.00 0.00 0.00 0.00 23.12 20.52 2yug s ALA 118 CO 0.03 -3.20 1.62 0.45 0.00 0.00 0.00 175.76 174.66 2yug n SER 119 N -4.50 0.44 -1.87 0.00 2.88 -1.21 -2.46 113.62 106.90 2yug n SER 119 Ca 0.07 0.61 -0.11 0.00 -1.33 0.00 0.00 58.87 58.11 2yug n SER 119 Cb 0.54 -0.70 0.21 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.99 4.07 -3.66 -3.46 0.23 -1.26 -4.89 115.26 104.30 2yug n ASN 120 Ca 0.02 -3.11 -0.22 0.00 -0.53 0.00 0.00 54.58 50.74 2yug n ASN 120 Cb 0.20 -0.73 0.05 0.00 -2.08 0.00 0.00 39.78 37.22 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 -0.36 -2.57 -3.68 0.53 7.64 -1.03 -4.99 113.62 109.16 2yug n SER 121 Ca 0.39 -0.73 -0.12 0.00 1.01 0.00 0.00 58.87 59.42 2yug n SER 121 Cb 1.31 -4.40 -0.13 0.00 -1.01 0.00 0.00 64.21 59.98 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 2.05 2.38 0.59 0.00 0.08 -1.19 -0.41 117.98 121.48 2yug s PHE 123 Ca -0.03 1.55 -0.12 0.00 0.12 0.00 0.00 56.93 58.45 2yug s PHE 123 Cb -0.11 -3.37 -0.05 0.00 -0.57 0.00 0.00 43.02 38.92 2yug s PHE 123 CO -0.09 -2.12 1.01 0.96 -0.10 0.00 0.00 175.22 174.88 2yug s ILE 124 N -1.94 4.66 -0.27 0.64 -4.36 -0.93 0.78 121.20 119.79 2yug s ILE 124 Ca 0.73 0.96 -0.27 0.00 -0.26 0.00 0.00 60.65 61.81 2yug s ILE 124 Cb -0.26 -3.83 0.16 0.00 1.25 0.00 0.00 42.46 39.78 2yug s ILE 124 CO 0.38 -1.01 1.22 -0.60 0.24 0.00 0.00 174.94 175.17 2yug s ARG 125 N -4.85 0.29 0.13 0.37 6.06 -1.04 -4.62 118.95 115.28 2yug s ARG 125 Ca 0.56 0.23 0.03 0.00 -2.50 0.00 0.00 55.73 54.06 2yug s ARG 125 Cb -0.11 0.14 -0.04 0.00 0.06 0.00 0.00 34.95 35.01 2yug s ARG 125 CO 0.47 -0.06 0.16 0.00 -2.50 0.00 0.00 175.30 173.38 2yug s ASN 127 N -2.88 6.12 0.26 0.00 0.01 -0.94 -4.95 114.94 112.56 2yug s ASN 127 Ca 0.32 0.26 0.08 0.00 -0.71 0.00 0.00 52.86 52.81 2yug s ASN 127 Cb -0.11 -1.76 0.33 0.00 0.41 0.00 0.00 41.25 40.13 2yug s ASN 127 CO 0.25 -0.40 1.60 -0.08 -1.51 0.00 0.00 177.10 176.96 2yug h GLU 128 N 0.73 0.11 0.00 -0.60 4.57 -2.00 -3.28 114.58 114.11 2yug h GLU 128 Ca -0.48 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 57.62 2yug h GLU 128 Cb 1.24 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2yug h GLU 128 CO 0.59 0.67 -0.00 0.00 -1.18 0.00 0.00 179.01 179.09 2yug h ALA 129 N 1.31 0.00 0.00 2.92 0.00 -2.04 -3.48 119.26 117.97 2yug h ALA 129 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2yug h ALA 129 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2yug h ALA 129 CO 0.08 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2yug n GLY 130 N 1.27 -0.58 3.00 0.00 0.00 -1.24 -5.04 105.19 102.61 2yug n GLY 130 Ca -0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 2yug n GLY 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yug s ASP 131 N 0.00 -0.35 -0.38 1.61 1.01 -1.26 -4.90 116.67 112.39 2yug s ASP 131 Ca 0.00 0.28 -0.24 0.00 0.71 0.00 0.00 52.55 53.31 2yug s ASP 131 Cb 0.00 1.49 0.01 0.00 1.01 0.00 0.00 42.92 45.43 2yug s ASP 131 CO 0.00 -0.30 0.81 -0.63 0.21 0.00 0.00 175.17 175.26 2yug s ILE 132 N 2.66 4.69 0.29 0.77 1.01 -1.26 -2.22 121.20 127.14 2yug s ILE 132 Ca 0.14 0.83 0.04 0.00 0.00 0.00 0.00 60.65 61.66 2yug s ILE 132 Cb -0.14 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.01 2yug s ILE 132 CO -0.21 -0.52 0.01 -1.83 0.00 0.00 0.00 174.94 172.39 2yug s GLU 133 N 3.21 1.54 -0.68 2.79 -1.05 -0.67 -2.05 118.70 121.80 2yug s GLU 133 Ca 0.32 -1.82 -0.27 0.00 -0.15 0.00 0.00 54.97 53.05 2yug s GLU 133 Cb -0.13 -0.88 0.02 0.00 -0.44 0.00 0.00 34.13 32.70 2yug s GLU 133 CO 0.19 -0.10 1.37 0.00 0.95 0.00 0.00 175.26 177.67 2yug s ALA 134 N -3.25 2.70 1.23 -0.84 0.00 -0.76 -2.51 121.76 118.34 2yug s ALA 134 Ca 0.32 -1.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.02 2yug s ALA 134 Cb 0.07 -4.22 0.30 0.00 0.00 0.00 0.00 23.12 19.27 2yug s ALA 134 CO 0.13 -3.25 1.01 0.21 0.00 0.00 0.00 175.76 173.85 2yug s LYS 135 N 5.81 -1.47 1.17 0.00 2.36 0.23 -4.81 119.74 123.04 2yug s LYS 135 Ca 0.43 0.49 -0.13 0.00 -2.55 0.00 0.00 55.97 54.22 2yug s LYS 135 Cb -0.09 -1.52 0.29 0.00 -1.05 0.00 0.00 37.83 35.46 2yug s LYS 135 CO 0.18 -4.00 1.02 0.09 1.55 0.00 0.00 175.35 174.20 2yug n ASN 136 N -5.06 -1.68 0.17 1.43 5.03 -1.26 -3.19 115.26 110.70 2yug n ASN 136 Ca 0.07 -0.15 0.05 0.00 0.87 0.00 0.00 54.58 55.42 2yug n ASN 136 Cb 0.57 -1.27 0.51 0.00 -1.02 0.00 0.00 39.78 38.57 2yug n ASN 136 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2yug h LYS 137 N -2.69 0.17 -6.26 3.52 1.57 -1.94 -3.31 116.57 107.63 2yug h LYS 137 Ca -0.61 -0.02 -0.56 0.00 -1.87 0.00 0.00 60.65 57.58 2yug h LYS 137 Cb 1.33 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 2yug h LYS 137 CO 0.49 0.20 1.16 0.95 -0.57 0.00 0.00 179.45 181.67 2yug s THR 138 N -4.99 3.57 -0.44 -0.16 -4.23 -1.26 -4.76 115.64 103.37 2yug s THR 138 Ca -0.06 0.65 -0.18 0.00 -1.18 0.00 0.00 61.69 60.93 2yug s THR 138 Cb 0.16 -3.55 0.03 0.00 1.34 0.00 0.00 72.50 70.49 2yug s THR 138 CO 0.70 -0.20 0.49 0.00 -0.54 0.00 0.00 174.62 175.08 2yug s ALA 139 N 5.16 3.42 1.09 3.99 0.00 -1.26 -5.00 121.76 129.16 2yug s ALA 139 Ca 0.75 -1.55 -0.17 0.00 0.00 0.00 0.00 51.96 50.99 2yug s ALA 139 Cb -0.29 -3.14 0.24 0.00 0.00 0.00 0.00 23.12 19.94 2yug s ALA 139 CO 0.31 -1.70 1.18 0.20 0.00 0.00 0.00 175.76 175.75 2yug s GLY 140 N 2.03 1.65 0.08 0.00 0.00 -1.26 -4.89 107.32 104.93 2yug s GLY 140 Ca 0.13 -0.98 -0.24 0.00 0.00 0.00 0.00 44.72 43.64 2yug s GLY 140 CO 0.14 -0.17 1.71 0.83 0.00 0.00 0.00 173.10 175.61 2yug h GLU 141 N -2.17 -0.04 0.00 2.90 4.39 -1.97 -2.50 114.58 115.19 2yug h GLU 141 Ca -0.45 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.18 2yug h GLU 141 Cb 1.28 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2yug h GLU 141 CO 0.38 -0.01 -0.35 1.05 -1.16 0.00 0.00 179.01 178.93 2yug h GLU 142 N -0.07 0.00 -0.22 2.33 4.11 -1.98 -2.66 114.58 116.09 2yug h GLU 142 Ca -0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.48 2yug h GLU 142 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2yug h GLU 142 CO 0.01 0.35 0.16 1.49 0.07 0.00 0.00 179.01 181.08 2yug h GLU 143 N 0.00 0.03 -6.21 1.06 4.22 -1.80 -3.41 114.58 108.46 2yug h GLU 143 Ca -0.00 -0.00 -0.55 0.00 0.08 0.00 0.00 59.36 58.88 2yug h GLU 143 Cb 0.64 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.89 2yug h GLU 143 CO 0.04 0.02 1.34 -1.33 -2.18 0.00 0.00 179.01 176.90 2yug n MET 144 N -4.48 2.53 -2.96 1.92 2.81 -1.00 -4.87 117.12 111.07 2yug n MET 144 Ca 0.02 0.85 -0.18 0.00 -1.81 0.00 0.00 57.70 56.58 2yug n MET 144 Cb 0.28 -3.11 0.03 0.00 -0.71 0.00 0.00 33.22 29.71 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 5.99 2.72 -0.23 2.02 -4.36 0.14 -4.91 121.20 122.57 2yug s ILE 145 Ca 0.94 -0.95 -0.01 0.00 -0.26 0.00 0.00 60.65 60.37 2yug s ILE 145 Cb -0.39 -2.78 0.07 0.00 1.25 0.00 0.00 42.46 40.61 2yug s ILE 145 CO 0.39 0.00 0.00 -0.54 0.24 0.00 0.00 174.94 175.04 2yug s LYS 146 N -4.50 1.11 -0.21 0.37 1.02 -1.17 -3.90 119.74 112.46 2yug s LYS 146 Ca 0.57 -0.80 -0.25 0.00 0.02 0.00 0.00 55.97 55.51 2yug s LYS 146 Cb -0.09 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.87 2yug s LYS 146 CO 0.35 -0.68 0.83 0.42 -0.92 0.00 0.00 175.35 175.36 2yug s ILE 147 N 1.59 4.85 0.51 2.17 1.01 -1.26 -2.80 121.20 127.28 2yug s ILE 147 Ca -0.01 1.61 0.08 0.00 0.00 0.00 0.00 60.65 62.33 2yug s ILE 147 Cb -0.18 -4.13 0.05 0.00 0.01 0.00 0.00 42.46 38.21 2yug s ILE 147 CO -0.09 -0.03 0.64 -0.13 0.00 0.00 0.00 174.94 175.33 2yug s ARG 148 N 2.52 2.45 -0.02 2.79 0.52 0.47 -2.45 118.95 125.23 2yug s ARG 148 Ca 0.37 -1.58 -0.19 0.00 -0.52 0.00 0.00 55.73 53.80 2yug s ARG 148 Cb -0.16 -2.57 0.04 0.00 0.52 0.00 0.00 34.95 32.77 2yug s ARG 148 CO 0.10 -0.61 0.42 0.45 0.02 0.00 0.00 175.30 175.67 2yug s SER 149 N -4.48 -0.32 -0.21 0.23 0.15 -0.80 -2.11 113.70 106.16 2yug s SER 149 Ca 0.55 0.25 0.14 0.00 0.70 0.00 0.00 55.95 57.59 2yug s SER 149 Cb -0.06 0.38 0.45 0.00 -1.71 0.00 0.00 66.02 65.08 2yug s SER 149 CO 0.34 -0.51 1.18 0.00 1.20 0.00 0.00 173.24 175.46 2yug n ALA 151 N -0.64 -1.23 -2.52 0.00 0.00 -1.26 -5.01 120.51 109.85 2yug n ALA 151 Ca 0.24 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 2yug n ALA 151 Cb 0.88 -0.05 -0.10 0.00 0.00 0.00 0.00 19.45 20.17 2yug n ALA 151 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2yug s GLU 152 N -4.33 2.97 0.14 0.00 2.02 -1.26 -5.07 118.70 113.18 2yug s GLU 152 Ca 0.36 -1.01 -0.23 0.00 0.02 0.00 0.00 54.97 54.11 2yug s GLU 152 Cb -0.02 -3.93 -0.08 0.00 0.10 0.00 0.00 34.13 30.20 2yug s GLU 152 CO 0.27 -0.73 0.72 1.03 0.02 0.00 0.00 175.26 176.57 2yug s ARG 153 N 1.66 4.46 -0.41 1.61 0.52 -1.26 -5.03 118.95 120.49 2yug s ARG 153 Ca 0.05 1.03 0.05 0.00 -0.52 0.00 0.00 55.73 56.34 2yug s ARG 153 Cb -0.19 -3.24 0.19 0.00 0.52 0.00 0.00 34.95 32.23 2yug s ARG 153 CO 0.10 0.58 0.39 0.39 0.02 0.00 0.00 175.30 176.78 2yug n GLU 154 N 1.59 0.38 0.00 3.54 1.02 -1.26 -5.31 120.64 120.59 2yug n GLU 154 Ca -0.07 -3.23 0.13 0.00 -0.02 0.00 0.00 57.16 53.97 2yug n GLU 154 Cb 0.49 -1.57 0.22 0.00 -0.02 0.00 0.00 31.44 30.56 2yug n GLU 154 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56