#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 -8.00 -4.91 1.61 2.88 -1.26 -4.90 113.62 99.04 2yug n SER 2 Ca 0.00 1.38 -0.31 0.00 -1.33 0.00 0.00 58.87 58.61 2yug n SER 2 Cb 0.00 -4.91 -0.04 0.00 -0.75 0.00 0.00 64.21 58.51 2yug n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yug s SER 3 N -7.26 6.44 0.00 -3.46 0.01 -1.26 -4.93 113.70 103.24 2yug s SER 3 Ca 0.00 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2yug s SER 3 Cb 0.00 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2yug s SER 3 CO 0.00 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2yug n GLY 4 N 0.08 0.05 0.09 3.44 0.00 -1.26 -5.07 105.19 102.53 2yug n GLY 4 Ca -0.03 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 2yug n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yug n SER 5 N 0.00 0.83 -3.56 1.61 2.88 -1.26 -5.00 113.62 109.12 2yug n SER 5 Ca 0.00 -0.02 -0.20 0.00 -1.33 0.00 0.00 58.87 57.32 2yug n SER 5 Cb 0.00 0.71 0.13 0.00 -0.75 0.00 0.00 64.21 64.29 2yug n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yug n SER 6 N -2.76 0.40 0.00 -3.46 7.64 -1.26 -5.06 113.62 109.12 2yug n SER 6 Ca -0.32 -1.52 0.00 0.00 1.01 0.00 0.00 58.87 58.04 2yug n SER 6 Cb 1.06 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 -1.10 2.04 3.08 0.23 0.00 -1.26 -5.18 105.19 103.00 2yug n GLY 7 Ca 0.12 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2yug n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yug s LEU 8 N 0.00 2.38 -0.42 0.99 2.96 -1.26 -5.13 118.68 118.20 2yug s LEU 8 Ca 0.00 -0.77 -0.14 0.00 -0.22 0.00 0.00 54.13 53.00 2yug s LEU 8 Cb 0.00 -0.00 0.04 0.00 0.50 0.00 0.00 46.19 46.73 2yug s LEU 8 CO 0.00 -0.39 0.30 -1.81 -1.32 0.00 0.00 176.35 173.13 2yug s ASP 9 N -2.28 5.99 -0.24 3.68 1.11 -1.26 -5.05 116.67 118.63 2yug s ASP 9 Ca -0.01 -1.08 0.02 0.00 0.18 0.00 0.00 52.55 51.66 2yug s ASP 9 Cb -0.02 -2.12 0.04 0.00 1.07 0.00 0.00 42.92 41.90 2yug s ASP 9 CO -0.04 -0.49 -0.13 -0.51 1.18 0.00 0.00 175.17 175.19 2yug s ILE 10 N 1.62 2.24 -0.84 0.77 2.07 -1.26 -2.67 121.20 123.13 2yug s ILE 10 Ca 0.04 -1.37 -0.14 0.00 -1.41 0.00 0.00 60.65 57.77 2yug s ILE 10 Cb -0.21 -2.20 0.22 0.00 0.13 0.00 0.00 42.46 40.40 2yug s ILE 10 CO 0.08 0.15 0.79 -0.69 -1.91 0.00 0.00 174.94 173.36 2yug s VAL 11 N 1.18 5.59 0.00 4.00 1.01 0.48 -4.87 120.40 127.80 2yug s VAL 11 Ca -0.04 -2.46 0.00 0.00 0.00 0.00 0.00 61.98 59.48 2yug s VAL 11 Cb -0.18 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.72 2yug s VAL 11 CO -0.07 -1.05 0.00 0.61 0.00 0.00 0.00 175.10 174.59 2yug n GLY 12 N 4.00 1.23 1.82 4.51 0.00 -1.26 -2.33 105.19 113.16 2yug n GLY 12 Ca 0.15 0.36 0.03 0.00 0.00 0.00 0.00 46.02 46.55 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 0.40 -3.65 -0.61 -5.35 -1.26 -5.05 119.36 103.83 2yug n ILE 13 Ca 0.00 -1.57 -0.19 0.00 -0.27 0.00 0.00 62.75 60.72 2yug n ILE 13 Cb 0.00 1.03 -0.17 0.00 -1.74 0.00 0.00 39.64 38.76 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 -1.07 -0.05 -0.09 4.28 0.52 -0.98 -4.20 118.94 117.33 2yug s TRP 14 Ca 0.32 0.36 0.02 0.00 0.02 0.00 0.00 56.10 56.83 2yug s TRP 14 Cb 0.37 -0.40 -0.02 0.00 -1.15 0.00 0.00 33.47 32.28 2yug s TRP 14 CO -0.13 -0.28 -0.15 1.67 0.02 0.00 0.00 176.95 178.08 2yug s TRP 15 N 2.23 2.73 0.04 -1.98 1.48 0.47 -0.38 118.94 123.53 2yug s TRP 15 Ca 0.04 -0.48 -0.30 0.00 -1.06 0.00 0.00 56.10 54.29 2yug s TRP 15 Cb -0.13 -1.74 -0.07 0.00 -1.16 0.00 0.00 33.47 30.38 2yug s TRP 15 CO -0.05 -0.07 1.53 0.99 -4.06 0.00 0.00 176.95 175.29 2yug s THR 16 N -0.10 3.34 1.08 0.66 2.01 -1.09 -1.06 115.64 120.48 2yug s THR 16 Ca -0.02 0.77 -0.15 0.00 0.31 0.00 0.00 61.69 62.59 2yug s THR 16 Cb -0.14 -3.49 0.23 0.00 0.01 0.00 0.00 72.50 69.11 2yug s THR 16 CO 0.04 -0.00 1.12 0.68 -0.69 0.00 0.00 174.62 175.76 2yug s VAL 17 N 2.50 1.83 0.00 3.82 -7.23 -1.19 -4.86 120.40 115.28 2yug s VAL 17 Ca 0.69 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.86 2yug s VAL 17 Cb -0.36 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.04 2yug s VAL 17 CO 0.30 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.85 2yug n SER 18 N -4.38 0.34 -4.87 4.85 2.88 -1.26 -5.01 113.62 106.17 2yug n SER 18 Ca 0.09 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.35 2yug n SER 18 Cb 0.59 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.02 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 -4.87 4.52 0.17 -3.46 4.22 -1.26 -4.98 114.94 109.29 2yug s ASN 19 Ca 0.00 -1.32 -0.00 0.00 -2.14 0.00 0.00 52.86 49.40 2yug s ASN 19 Cb 0.00 0.39 0.04 0.00 1.28 0.00 0.00 41.25 42.96 2yug s ASN 19 CO 0.00 -1.03 1.41 0.15 -2.04 0.00 0.00 177.10 175.60 2yug h PHE 20 N 0.91 0.46 -0.13 1.54 3.57 -1.99 -3.15 116.94 118.15 2yug h PHE 20 Ca -0.39 -0.22 0.04 0.00 3.53 0.00 0.00 57.97 60.93 2yug h PHE 20 Cb 1.30 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 2yug h PHE 20 CO 1.08 0.99 0.11 0.78 -2.23 0.00 0.00 178.31 179.04 2yug h GLY 21 N 1.45 0.00 2.00 2.40 0.00 -2.04 -0.58 103.07 106.30 2yug h GLY 21 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.15 2yug h GLY 21 CO 0.13 0.00 -0.67 0.83 0.00 0.00 0.00 176.54 176.83 2yug h GLU 22 N 0.00 0.00 -6.13 4.80 5.08 -1.96 -3.42 114.58 112.95 2yug h GLU 22 Ca 0.06 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.88 2yug h GLU 22 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2yug h GLU 22 CO -0.00 0.67 1.32 0.42 -1.00 0.00 0.00 179.01 180.42 2yug s ILE 23 N -3.44 3.42 -0.30 3.13 1.01 -0.23 -4.87 121.20 119.92 2yug s ILE 23 Ca -0.01 0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.92 2yug s ILE 23 Cb 0.12 -3.75 0.18 0.00 0.01 0.00 0.00 42.46 39.03 2yug s ILE 23 CO 0.77 -0.60 0.95 -0.44 0.00 0.00 0.00 174.94 175.62 2yug s SER 24 N 7.12 -0.67 0.00 3.58 0.01 -1.26 -4.88 113.70 117.60 2yug s SER 24 Ca 0.75 0.21 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2yug s SER 24 Cb -0.18 1.48 0.00 0.00 0.21 0.00 0.00 66.02 67.53 2yug s SER 24 CO 0.28 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2yug n GLY 25 N 5.30 0.13 3.73 3.44 0.00 -0.97 -4.82 105.19 112.00 2yug n GLY 25 Ca 0.02 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 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 2.95 0.25 2.61 2.01 -1.26 0.59 115.64 122.79 2yug s THR 26 Ca 0.00 0.73 0.02 0.00 0.31 0.00 0.00 61.69 62.75 2yug s THR 26 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2yug s THR 26 CO 0.00 0.08 0.18 0.27 -0.69 0.00 0.00 174.62 174.46 2yug s ILE 27 N 0.65 0.07 -0.05 1.82 -4.36 0.21 -2.89 121.20 116.64 2yug s ILE 27 Ca 0.63 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 59.02 2yug s ILE 27 Cb -0.40 -2.51 0.03 0.00 1.25 0.00 0.00 42.46 40.83 2yug s ILE 27 CO 0.35 0.00 -0.01 0.00 0.24 0.00 0.00 174.94 175.53 2yug s ALA 28 N -3.86 0.51 -0.23 2.27 0.00 0.64 -0.88 121.76 120.21 2yug s ALA 28 Ca 0.39 0.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 2yug s ALA 28 Cb 0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2yug s ALA 28 CO 0.17 -0.20 0.06 0.42 0.00 0.00 0.00 175.76 176.22 2yug s ILE 29 N 1.36 4.45 -0.34 0.00 1.01 -1.26 0.26 121.20 126.68 2yug s ILE 29 Ca -0.05 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 2yug s ILE 29 Cb -0.13 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.31 2yug s ILE 29 CO -0.02 0.38 0.13 -0.70 0.00 0.00 0.00 174.94 174.73 2yug s GLU 30 N 1.20 2.85 -0.16 2.79 2.12 -1.07 -3.96 118.70 122.47 2yug s GLU 30 Ca 0.04 -1.04 -0.22 0.00 0.36 0.00 0.00 54.97 54.12 2yug s GLU 30 Cb -0.14 -3.53 -0.23 0.00 0.26 0.00 0.00 34.13 30.48 2yug s GLU 30 CO 0.03 -0.60 0.46 0.52 -0.54 0.00 0.00 175.26 175.13 2yug h MET 31 N 8.30 0.06 -6.22 4.30 2.86 -1.91 -3.10 114.93 119.22 2yug h MET 31 Ca -0.27 -0.11 -0.47 0.00 -2.06 0.00 0.00 59.70 56.79 2yug h MET 31 Cb 1.10 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 2yug h MET 31 CO 0.62 1.05 -0.44 0.34 1.06 0.00 0.00 176.91 179.55 2yug s ASP 32 N -6.72 5.90 -1.21 1.22 -1.08 -1.25 -4.90 116.67 108.62 2yug s ASP 32 Ca -0.24 -0.15 -0.22 0.00 -0.52 0.00 0.00 52.55 51.43 2yug s ASP 32 Cb 0.03 -1.49 -0.07 0.00 -1.46 0.00 0.00 42.92 39.94 2yug s ASP 32 CO 0.67 -0.18 1.91 0.29 0.52 0.00 0.00 175.17 178.38 2yug n LYS 33 N -1.39 1.82 0.00 4.34 5.02 -1.26 -2.95 118.16 123.74 2yug n LYS 33 Ca -0.06 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 2yug n LYS 33 Cb 0.58 -3.70 0.00 0.00 -0.02 0.00 0.00 35.03 31.89 2yug n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yug n GLY 34 N 5.73 0.80 3.91 0.72 0.00 -1.26 -5.03 105.19 110.06 2yug n GLY 34 Ca 0.45 -0.14 -0.27 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 -0.82 3.31 0.05 4.61 0.00 -1.15 -2.98 121.76 124.77 2yug s ALA 35 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.36 2yug s ALA 35 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 2yug s ALA 35 CO 0.00 -0.70 -0.07 0.71 0.00 0.00 0.00 175.76 175.71 2yug s TYR 36 N -2.95 0.62 -0.14 0.00 2.02 -1.25 -3.89 117.35 111.77 2yug s TYR 36 Ca 0.52 -0.60 -0.29 0.00 -0.37 0.00 0.00 57.07 56.34 2yug s TYR 36 Cb -0.10 -0.38 -0.05 0.00 -0.40 0.00 0.00 41.96 41.03 2yug s TYR 36 CO 0.46 -0.13 1.76 0.42 -1.57 0.00 0.00 175.55 176.48 2yug s ILE 37 N -1.85 3.48 0.29 2.71 1.01 -1.25 -0.13 121.20 125.45 2yug s ILE 37 Ca -0.07 0.55 0.06 0.00 0.00 0.00 0.00 60.65 61.19 2yug s ILE 37 Cb -0.07 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 2yug s ILE 37 CO -0.01 -0.15 0.42 -2.28 0.00 0.00 0.00 174.94 172.91 2yug s HIS 38 N 5.17 3.27 -0.00 3.97 2.46 0.40 -4.56 115.29 126.01 2yug s HIS 38 Ca 0.78 -0.12 0.05 0.00 0.47 0.00 0.00 55.06 56.24 2yug s HIS 38 Cb -0.31 -1.79 -0.02 0.00 -0.13 0.00 0.00 32.58 30.34 2yug s HIS 38 CO 0.32 0.21 -0.17 0.00 -2.47 0.00 0.00 174.74 172.62 2yug s ALA 39 N -2.08 1.44 0.19 1.58 0.00 -1.26 -2.41 121.76 119.21 2yug s ALA 39 Ca 0.40 -0.78 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 2yug s ALA 39 Cb -0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2yug s ALA 39 CO 0.30 0.34 0.37 -0.51 0.00 0.00 0.00 175.76 176.26 2yug s LEU 40 N -0.56 4.25 0.37 0.00 1.43 0.27 -4.93 118.68 119.51 2yug s LEU 40 Ca 0.06 0.36 0.10 0.00 -1.03 0.00 0.00 54.13 53.63 2yug s LEU 40 Cb -0.07 -3.12 0.73 0.00 0.03 0.00 0.00 46.19 43.75 2yug s LEU 40 CO -0.00 -0.02 1.86 0.44 0.23 0.00 0.00 176.35 178.86 2yug h ASP 41 N 2.09 0.16 -0.10 2.29 3.32 -2.01 -2.62 116.42 119.56 2yug h ASP 41 Ca -0.48 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.42 2yug h ASP 41 Cb 1.19 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2yug h ASP 41 CO 0.69 0.41 -0.28 -1.13 -1.72 0.00 0.00 179.24 177.20 2yug h ASN 42 N 0.15 0.57 0.00 6.45 -1.24 -1.98 -3.47 115.58 116.07 2yug h ASN 42 Ca 0.03 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 56.82 2yug h ASN 42 Cb 0.51 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.41 2yug h ASN 42 CO 0.04 0.84 0.00 0.61 -1.29 0.00 0.00 177.43 177.62 2yug n GLY 43 N -0.25 1.32 3.57 1.57 0.00 -0.99 -5.05 105.19 105.35 2yug n GLY 43 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 0.82 -0.02 0.99 1.43 -1.26 -1.98 118.68 118.66 2yug s LEU 44 Ca 0.00 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 2yug s LEU 44 Cb 0.00 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.31 2yug s LEU 44 CO 0.00 -3.93 -0.00 -0.36 0.23 0.00 0.00 176.35 172.29 2yug s PHE 45 N -2.80 0.18 0.47 0.29 0.40 -1.26 -0.56 117.98 114.70 2yug s PHE 45 Ca 0.68 0.02 0.02 0.00 -0.60 0.00 0.00 56.93 57.05 2yug s PHE 45 Cb -0.17 -0.24 -0.01 0.00 0.51 0.00 0.00 43.02 43.11 2yug s PHE 45 CO 0.59 -0.07 0.09 -0.08 0.70 0.00 0.00 175.22 176.45 2yug s THR 46 N 0.59 0.70 -0.45 0.64 -1.32 -1.01 -3.02 115.64 111.76 2yug s THR 46 Ca -0.05 -2.00 -0.19 0.00 -1.21 0.00 0.00 61.69 58.23 2yug s THR 46 Cb -0.08 -2.16 0.03 0.00 -1.51 0.00 0.00 72.50 68.78 2yug s THR 46 CO -0.01 0.00 0.57 -0.22 -2.21 0.00 0.00 174.62 172.75 2yug s LEU 47 N -3.75 4.77 1.03 9.08 2.96 -1.26 -0.45 118.68 131.07 2yug s LEU 47 Ca 0.13 -0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 53.29 2yug s LEU 47 Cb 0.01 -2.53 0.21 0.00 0.50 0.00 0.00 46.19 44.38 2yug s LEU 47 CO 0.09 -0.75 1.06 0.61 -1.32 0.00 0.00 176.35 176.04 2yug n GLY 48 N 5.10 -1.15 3.79 7.98 0.00 0.82 -4.87 105.19 116.86 2yug n GLY 48 Ca -0.05 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 2yug n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yug s ALA 49 N -2.53 2.94 0.45 4.61 0.00 -1.26 -3.91 121.76 122.07 2yug s ALA 49 Ca 0.67 0.64 -0.23 0.00 0.00 0.00 0.00 51.96 53.04 2yug s ALA 49 Cb -0.24 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 2yug s ALA 49 CO 0.61 -0.28 1.14 -1.25 0.00 0.00 0.00 175.76 175.99 2yug s PRO 50 N -2.99 3.81 0.32 0.00 0.04 -1.26 -4.51 135.00 130.42 2yug s PRO 50 Ca 0.64 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 63.12 2yug s PRO 50 Cb -0.18 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 31.85 2yug s PRO 50 CO 0.22 -0.49 1.07 -1.01 0.04 0.00 0.00 177.00 176.83 2yug s HIS 51 N -1.58 3.51 0.19 0.56 3.76 -1.16 -4.96 115.29 115.62 2yug s HIS 51 Ca 0.63 1.70 -0.05 0.00 -0.15 0.00 0.00 55.06 57.19 2yug s HIS 51 Cb -0.27 -3.20 0.11 0.00 1.11 0.00 0.00 32.58 30.33 2yug s HIS 51 CO 0.33 -0.48 1.53 -0.09 -0.85 0.00 0.00 174.74 175.18 2yug h ARG 52 N 3.38 0.67 -6.68 1.40 2.43 -1.95 -3.44 114.38 110.20 2yug h ARG 52 Ca -0.47 -0.37 -0.50 0.00 -0.81 0.00 0.00 59.98 57.83 2yug h ARG 52 Cb 1.21 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 2yug h ARG 52 CO 0.65 0.98 0.14 -2.00 -1.51 0.00 0.00 179.97 178.23 2yug s GLU 53 N -4.22 4.19 0.03 0.20 2.12 -1.26 -5.00 118.70 114.76 2yug s GLU 53 Ca -0.08 0.85 -0.24 0.00 0.36 0.00 0.00 54.97 55.85 2yug s GLU 53 Cb 0.12 -2.67 -0.18 0.00 0.26 0.00 0.00 34.13 31.66 2yug s GLU 53 CO 0.85 0.27 1.50 0.28 -0.54 0.00 0.00 175.26 177.62 2yug h VAL 54 N 2.40 1.20 -3.25 3.70 2.07 -2.04 -3.34 116.25 116.98 2yug h VAL 54 Ca -0.48 -0.59 -0.71 0.00 0.82 0.00 0.00 66.70 65.74 2yug h VAL 54 Cb 1.19 1.60 -0.35 0.00 -1.52 0.00 0.00 31.29 32.20 2yug h VAL 54 CO 0.65 0.15 -0.04 0.47 0.02 0.00 0.00 177.57 178.82 2yug n ASP 55 N -4.97 4.36 -4.12 0.57 8.00 -1.26 -5.03 116.55 114.11 2yug n ASP 55 Ca -0.08 -3.16 -0.27 0.00 0.71 0.00 0.00 54.79 52.00 2yug n ASP 55 Cb 0.14 -1.06 -0.16 0.00 -0.02 0.00 0.00 41.12 40.02 2yug n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2yug s GLU 56 N -1.51 1.99 0.59 -1.24 2.56 -1.26 -4.58 118.70 115.26 2yug s GLU 56 Ca 0.29 -0.60 -0.19 0.00 0.00 0.00 0.00 54.97 54.47 2yug s GLU 56 Cb -0.05 -1.64 -0.04 0.00 2.00 0.00 0.00 34.13 34.40 2yug s GLU 56 CO -0.11 0.16 1.20 0.20 -0.56 0.00 0.00 175.26 176.15 2yug s GLY 57 N 0.29 2.70 0.84 -1.50 0.00 -1.26 -5.00 107.32 103.38 2yug s GLY 57 Ca -0.10 0.97 -0.11 0.00 0.00 0.00 0.00 44.72 45.48 2yug s GLY 57 CO 0.04 1.36 1.09 2.56 0.00 0.00 0.00 173.10 178.15 2yug s PRO 58 N -3.36 1.74 0.73 2.90 0.04 -1.26 -5.03 135.00 130.75 2yug s PRO 58 Ca 0.76 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 2yug s PRO 58 Cb -0.29 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.43 2yug s PRO 58 CO 0.33 -1.97 1.07 -1.12 0.04 0.00 0.00 177.00 175.35 2yug s SER 59 N -3.35 5.11 0.20 6.66 0.01 -1.26 -4.78 113.70 116.28 2yug s SER 59 Ca 0.62 1.46 -0.12 0.00 1.31 0.00 0.00 55.95 59.22 2yug s SER 59 Cb -0.18 -2.29 0.23 0.00 0.21 0.00 0.00 66.02 63.99 2yug s SER 59 CO 0.57 -1.60 1.68 -0.65 0.41 0.00 0.00 173.24 173.65 2yug h PRO 60 N -0.83 0.14 0.00 12.44 0.11 -1.96 0.80 132.00 142.71 2yug h PRO 60 Ca -0.45 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 2yug h PRO 60 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2yug h PRO 60 CO 0.58 0.09 -0.28 -1.00 -0.21 0.00 0.00 178.00 177.19 2yug h PRO 61 N 0.14 0.00 0.02 1.05 0.13 -1.93 -2.96 132.00 128.46 2yug h PRO 61 Ca 0.28 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.20 2yug h PRO 61 Cb 0.42 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 2yug h PRO 61 CO -0.44 0.28 -0.99 0.93 -0.23 0.00 0.00 178.00 177.56 2yug h GLU 62 N 0.00 0.08 -6.71 0.86 5.08 -1.42 -3.33 114.58 109.14 2yug h GLU 62 Ca -0.00 -0.12 -0.52 0.00 -1.00 0.00 0.00 59.36 57.71 2yug h GLU 62 Cb 0.74 0.04 0.04 0.00 0.50 0.00 0.00 28.75 30.08 2yug h GLU 62 CO 0.04 1.00 0.70 -0.65 -1.00 0.00 0.00 179.01 179.09 2yug s GLN 63 N -2.87 4.33 0.24 2.33 -0.21 0.14 -4.75 119.66 118.87 2yug s GLN 63 Ca -0.01 2.17 0.10 0.00 0.02 0.00 0.00 55.36 57.64 2yug s GLN 63 Cb 0.10 -3.15 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 2yug s GLN 63 CO 0.83 -0.33 -0.07 -0.06 -2.12 0.00 0.00 175.29 173.54 2yug s PHE 64 N 0.04 2.61 -0.11 0.91 0.08 -0.06 -3.24 117.98 118.21 2yug s PHE 64 Ca 0.58 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 57.38 2yug s PHE 64 Cb -0.39 -1.19 -0.03 0.00 -0.57 0.00 0.00 43.02 40.84 2yug s PHE 64 CO 0.41 0.60 -0.07 0.99 -0.10 0.00 0.00 175.22 177.04 2yug s THR 65 N -2.13 3.61 -0.14 0.64 2.01 -0.53 0.65 115.64 119.74 2yug s THR 65 Ca 0.29 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 61.75 2yug s THR 65 Cb -0.07 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 2yug s THR 65 CO 0.17 0.55 0.04 0.00 -0.69 0.00 0.00 174.62 174.69 2yug s ALA 66 N -0.22 3.35 -0.04 7.40 0.00 0.20 -1.42 121.76 131.03 2yug s ALA 66 Ca 0.03 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2yug s ALA 66 Cb -0.13 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.27 2yug s ALA 66 CO 0.03 0.34 -0.06 0.08 0.00 0.00 0.00 175.76 176.15 2yug s VAL 67 N -0.12 0.58 0.37 0.00 1.01 -0.46 -2.30 120.40 119.49 2yug s VAL 67 Ca 0.06 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 2yug s VAL 67 Cb -0.12 -0.57 -0.09 0.00 0.00 0.00 0.00 36.38 35.59 2yug s VAL 67 CO 0.02 0.22 1.03 -0.54 0.00 0.00 0.00 175.10 175.83 2yug s LYS 68 N 0.64 4.32 0.00 2.72 1.02 -1.26 0.37 119.74 127.55 2yug s LYS 68 Ca -0.09 1.51 0.00 0.00 0.02 0.00 0.00 55.97 57.41 2yug s LYS 68 Cb -0.12 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 2yug s LYS 68 CO 0.00 -0.00 0.00 1.28 -0.92 0.00 0.00 175.35 175.71 2yug n LEU 69 N 0.23 0.00 0.00 3.17 4.77 -1.09 -4.85 117.00 119.23 2yug n LEU 69 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 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 -0.39 0.00 -1.54 -1.33 0.00 0.00 177.39 174.59 2yug n SER 70 N -2.18 0.00 -3.32 -1.43 3.41 -1.23 -4.98 113.62 103.90 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 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 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 -5.02 -2.23 4.04 9.92 -1.26 -0.50 116.55 121.50 2yug n ASP 71 Ca 0.00 -0.42 -0.20 0.00 -0.53 0.00 0.00 54.79 53.65 2yug n ASP 71 Cb 0.00 -4.07 -0.01 0.00 -0.64 0.00 0.00 41.12 36.40 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 -2.51 -5.65 -4.27 -2.24 7.64 -1.26 -4.96 113.62 100.37 2yug n SER 72 Ca -0.04 -0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.43 2yug n SER 72 Cb 0.57 -4.68 -0.09 0.00 -1.01 0.00 0.00 64.21 58.99 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 -4.94 2.63 -0.03 1.43 1.81 0.34 -4.32 118.95 115.88 2yug s ARG 73 Ca 0.00 -1.49 -0.12 0.00 -1.72 0.00 0.00 55.73 52.40 2yug s ARG 73 Cb 0.00 -3.84 -0.05 0.00 -0.45 0.00 0.00 34.95 30.60 2yug s ARG 73 CO 0.00 -1.00 0.33 0.96 -0.68 0.00 0.00 175.30 174.92 2yug s ILE 74 N 1.44 5.16 -0.08 1.52 -4.36 -0.88 -2.66 121.20 121.34 2yug s ILE 74 Ca 0.03 0.64 -0.15 0.00 -0.26 0.00 0.00 60.65 60.92 2yug s ILE 74 Cb -0.24 -3.62 -0.05 0.00 1.25 0.00 0.00 42.46 39.80 2yug s ILE 74 CO 0.02 0.58 0.39 0.00 0.24 0.00 0.00 174.94 176.16 2yug s ALA 75 N -1.08 3.61 0.06 2.27 0.00 0.16 -3.08 121.76 123.70 2yug s ALA 75 Ca 0.22 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 2yug s ALA 75 Cb -0.15 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 2yug s ALA 75 CO 0.11 0.25 0.32 -0.51 0.00 0.00 0.00 175.76 175.93 2yug s LEU 76 N -0.17 4.34 -0.07 0.00 1.43 -1.26 -1.35 118.68 121.60 2yug s LEU 76 Ca 0.22 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 2yug s LEU 76 Cb -0.15 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 43.18 2yug s LEU 76 CO 0.10 0.18 -0.06 -0.75 0.23 0.00 0.00 176.35 176.05 2yug s LYS 77 N -2.04 1.16 0.81 1.70 2.20 -0.51 -2.39 119.74 120.68 2yug s LYS 77 Ca 0.32 -0.17 -0.12 0.00 -0.36 0.00 0.00 55.97 55.64 2yug s LYS 77 Cb -0.13 -1.19 0.09 0.00 -1.51 0.00 0.00 37.83 35.09 2yug s LYS 77 CO 0.19 -0.15 1.15 -1.54 -0.36 0.00 0.00 175.35 174.64 2yug s SER 78 N 1.27 3.80 0.57 1.43 1.04 0.14 -1.46 113.70 120.49 2yug s SER 78 Ca -0.05 2.13 0.26 0.00 0.48 0.00 0.00 55.95 58.78 2yug s SER 78 Cb -0.14 -2.56 1.56 0.00 0.10 0.00 0.00 66.02 64.98 2yug s SER 78 CO -0.02 -2.52 2.11 1.23 0.98 0.00 0.00 173.24 175.02 2yug h GLY 79 N -1.14 0.00 1.85 7.32 0.00 -1.66 -0.29 103.07 109.15 2yug h GLY 79 Ca -0.45 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.74 2yug h GLY 79 CO 0.47 0.00 -0.64 -0.97 0.00 0.00 0.00 176.54 175.40 2yug h TYR 80 N 0.00 0.20 0.00 5.60 -1.99 -1.87 -3.46 116.97 115.45 2yug h TYR 80 Ca 0.09 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2yug h TYR 80 Cb 0.42 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.11 2yug h TYR 80 CO 0.00 0.75 0.00 0.41 -0.00 0.00 0.00 178.16 179.32 2yug n GLY 81 N 0.33 1.51 3.70 3.88 0.00 -0.12 -5.13 105.19 109.37 2yug n GLY 81 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 0.57 -0.14 1.61 1.02 -1.26 -4.68 119.74 116.87 2yug s LYS 82 Ca 0.00 0.46 -0.04 0.00 0.02 0.00 0.00 55.97 56.41 2yug s LYS 82 Cb 0.00 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.52 2yug s LYS 82 CO 0.00 -2.63 -0.00 0.71 -0.92 0.00 0.00 175.35 172.51 2yug s TYR 83 N -3.03 3.12 0.13 3.18 2.02 -1.26 0.28 117.35 121.79 2yug s TYR 83 Ca 0.65 -0.03 -0.31 0.00 -0.37 0.00 0.00 57.07 57.01 2yug s TYR 83 Cb -0.18 -1.92 -0.08 0.00 -0.40 0.00 0.00 41.96 39.38 2yug s TYR 83 CO 0.57 0.20 1.36 -0.51 -1.57 0.00 0.00 175.55 175.59 2yug s LEU 84 N -0.10 4.38 -0.20 -1.29 1.43 -1.00 -3.12 118.68 118.77 2yug s LEU 84 Ca 0.04 2.32 -0.10 0.00 -1.03 0.00 0.00 54.13 55.36 2yug s LEU 84 Cb -0.13 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.57 2yug s LEU 84 CO 0.02 -0.62 0.49 -0.83 0.23 0.00 0.00 176.35 175.64 2yug s GLY 85 N 0.94 -0.42 0.97 -3.19 0.00 0.16 -4.00 107.32 101.78 2yug s GLY 85 Ca 0.63 1.77 -0.12 0.00 0.00 0.00 0.00 44.72 46.99 2yug s GLY 85 CO 0.32 2.01 1.09 -0.26 0.00 0.00 0.00 173.10 176.25 2yug s ILE 86 N 1.68 2.38 0.51 0.90 -4.36 -1.26 -2.41 121.20 118.65 2yug s ILE 86 Ca -0.08 0.12 0.05 0.00 -0.26 0.00 0.00 60.65 60.48 2yug s ILE 86 Cb -0.08 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.16 2yug s ILE 86 CO -0.15 -0.16 0.30 0.20 0.24 0.00 0.00 174.94 175.37 2yug s ASN 87 N -3.18 4.55 0.39 4.36 0.01 -0.34 -4.80 114.94 115.93 2yug s ASN 87 Ca 0.65 -1.25 0.11 0.00 -0.71 0.00 0.00 52.86 51.66 2yug s ASN 87 Cb -0.20 0.22 0.79 0.00 0.41 0.00 0.00 41.25 42.47 2yug s ASN 87 CO 0.59 -0.94 1.90 0.77 -1.51 0.00 0.00 177.10 177.91 2yug h SER 88 N 0.97 0.15 0.30 -1.22 4.64 -1.97 -2.54 113.55 113.88 2yug h SER 88 Ca -0.39 -0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 60.73 2yug h SER 88 Cb 1.29 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 2yug h SER 88 CO 0.62 0.36 -0.66 0.44 -0.87 0.00 0.00 176.83 176.72 2yug h ASP 89 N 0.14 0.39 0.00 4.97 5.19 -2.04 -3.47 116.42 121.60 2yug h ASP 89 Ca 0.03 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2yug h ASP 89 Cb 0.44 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.84 2yug h ASP 89 CO 0.03 0.94 0.00 0.61 -3.12 0.00 0.00 179.24 177.70 2yug n GLY 90 N 0.41 1.33 3.60 2.75 0.00 -0.96 -5.01 105.19 107.32 2yug n GLY 90 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2yug n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2yug n LEU 91 N 0.00 3.01 -4.27 0.99 7.94 -1.26 -2.14 117.00 121.27 2yug n LEU 91 Ca 0.00 0.56 -0.44 0.00 -1.11 0.00 0.00 56.01 55.01 2yug n LEU 91 Cb 0.00 -1.40 -0.05 0.00 0.53 0.00 0.00 43.42 42.49 2yug n LEU 91 CO 0.00 -2.27 0.19 -0.69 -1.11 0.00 0.00 177.39 173.51 2yug s VAL 92 N -2.10 4.98 0.40 1.96 1.01 0.13 -1.20 120.40 125.57 2yug s VAL 92 Ca 0.70 -2.02 0.08 0.00 0.00 0.00 0.00 61.98 60.73 2yug s VAL 92 Cb -0.29 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 2yug s VAL 92 CO 0.54 -0.90 0.41 0.68 0.00 0.00 0.00 175.10 175.83 2yug s VAL 93 N 0.92 3.00 -0.33 2.92 -7.23 -1.01 -4.23 120.40 114.44 2yug s VAL 93 Ca 0.10 -1.25 -0.01 0.00 -1.81 0.00 0.00 61.98 59.01 2yug s VAL 93 Cb -0.22 -3.06 0.12 0.00 0.56 0.00 0.00 36.38 33.77 2yug s VAL 93 CO -0.02 -0.04 0.16 -0.83 -0.31 0.00 0.00 175.10 174.05 2yug s GLY 94 N -4.16 0.86 -0.30 2.32 0.00 -0.84 0.37 107.32 105.58 2yug s GLY 94 Ca 0.48 -1.62 -0.07 0.00 0.00 0.00 0.00 44.72 43.52 2yug s GLY 94 CO 0.29 1.91 0.84 1.09 0.00 0.00 0.00 173.10 177.24 2yug s ARG 95 N 1.49 0.36 0.00 2.90 1.70 -1.18 -4.73 118.95 119.48 2yug s ARG 95 Ca 0.13 0.57 0.00 0.00 -0.47 0.00 0.00 55.73 55.96 2yug s ARG 95 Cb -0.19 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.49 2yug s ARG 95 CO -0.19 -0.45 0.00 0.45 -1.08 0.00 0.00 175.30 174.03 2yug n SER 96 N 5.41 0.00 -1.97 -2.89 2.88 -1.26 -4.97 113.62 110.82 2yug n SER 96 Ca -0.02 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.35 2yug n SER 96 Cb 0.53 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2yug n SER 96 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2yug n ASP 97 N -0.70 -4.99 -0.88 -3.46 9.92 -1.26 -4.95 116.55 110.23 2yug n ASP 97 Ca 0.00 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 2yug n ASP 97 Cb 0.00 -4.06 0.00 0.00 -0.64 0.00 0.00 41.12 36.42 2yug n ASP 97 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yug n ALA 98 N -1.97 0.00 -3.88 2.24 0.00 -1.26 -4.97 120.51 110.67 2yug n ALA 98 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 2yug n ALA 98 Cb 0.65 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.96 2yug n ALA 98 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2yug s ILE 99 N -2.56 2.24 0.00 0.00 1.01 -1.26 -4.77 121.20 115.87 2yug s ILE 99 Ca 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 60.65 57.54 2yug s ILE 99 Cb 0.00 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.91 2yug s ILE 99 CO 0.00 -0.83 0.00 0.61 0.00 0.00 0.00 174.94 174.72 2yug n GLY 100 N 3.22 2.13 0.14 6.18 0.00 -1.26 -4.98 105.19 110.62 2yug n GLY 100 Ca 0.06 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 2yug n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yug h PRO 101 N 0.00 0.39 -0.20 1.61 0.13 -1.98 -3.16 132.00 128.79 2yug h PRO 101 Ca 0.00 -0.23 -0.07 0.00 -0.87 0.00 0.00 66.00 64.84 2yug h PRO 101 Cb 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2yug h PRO 101 CO 0.00 0.81 -0.17 0.00 -0.23 0.00 0.00 178.00 178.40 2yug h ARG 102 N 0.01 0.35 0.00 0.86 -0.00 -1.94 -2.06 114.38 111.60 2yug h ARG 102 Ca 0.02 -0.10 0.00 0.00 -0.50 0.00 0.00 59.98 59.40 2yug h ARG 102 Cb 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.69 2yug h ARG 102 CO 0.05 0.52 0.00 0.93 0.00 0.00 0.00 179.97 181.46 2yug h GLU 103 N 0.32 0.00 -6.37 0.04 3.07 -1.68 -3.35 114.58 106.60 2yug h GLU 103 Ca 0.06 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.37 2yug h GLU 103 Cb 0.49 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2yug h GLU 103 CO 0.03 0.00 0.80 -0.65 -1.40 0.00 0.00 179.01 177.79 2yug s GLN 104 N -3.83 4.30 0.00 2.33 -0.21 -0.78 -4.27 119.66 117.20 2yug s GLN 104 Ca -0.01 1.92 0.07 0.00 0.02 0.00 0.00 55.36 57.35 2yug s GLN 104 Cb 0.10 -3.55 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 2yug s GLN 104 CO 0.48 -0.54 -0.20 -1.58 -2.12 0.00 0.00 175.29 171.32 2yug s TRP 105 N 2.27 1.82 -0.38 0.91 0.52 -1.18 -3.33 118.94 119.58 2yug s TRP 105 Ca 0.62 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 56.43 2yug s TRP 105 Cb -0.30 -1.15 0.11 0.00 -1.15 0.00 0.00 33.47 30.97 2yug s TRP 105 CO 0.26 0.00 0.10 -2.00 0.02 0.00 0.00 176.95 175.33 2yug s GLU 106 N -0.67 1.60 0.64 4.98 2.12 -1.04 -2.08 118.70 124.24 2yug s GLU 106 Ca 0.08 -2.04 -0.16 0.00 0.36 0.00 0.00 54.97 53.21 2yug s GLU 106 Cb -0.08 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 2yug s GLU 106 CO -0.00 -0.98 1.12 -1.25 -0.54 0.00 0.00 175.26 173.61 2yug s PRO 107 N 0.64 2.88 0.05 4.30 0.04 -1.26 -2.80 135.00 138.85 2yug s PRO 107 Ca 0.12 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 2yug s PRO 107 Cb -0.21 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2yug s PRO 107 CO -0.06 -1.20 -0.00 0.08 0.04 0.00 0.00 177.00 175.85 2yug s VAL 108 N -2.19 0.20 0.00 -0.36 1.01 -0.46 -4.96 120.40 113.65 2yug s VAL 108 Ca 0.69 -1.68 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2yug s VAL 108 Cb -0.22 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 2yug s VAL 108 CO 0.39 -0.93 -0.09 -0.36 0.00 0.00 0.00 175.10 174.11 2yug s PHE 109 N -3.77 0.78 -0.28 5.22 0.40 -1.26 -1.59 117.98 117.48 2yug s PHE 109 Ca 0.05 -0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.18 2yug s PHE 109 Cb 0.07 -0.50 0.12 0.00 0.51 0.00 0.00 43.02 43.22 2yug s PHE 109 CO -0.10 -0.01 0.26 -1.14 0.70 0.00 0.00 175.22 174.93 2yug s GLN 110 N -0.39 0.28 -1.29 0.44 0.74 -0.89 -4.91 119.66 113.64 2yug s GLN 110 Ca 0.02 -0.14 -0.03 0.00 0.05 0.00 0.00 55.36 55.26 2yug s GLN 110 Cb -0.04 -0.82 0.01 0.00 1.10 0.00 0.00 33.01 33.26 2yug s GLN 110 CO -0.00 -0.96 0.92 -0.25 -0.55 0.00 0.00 175.29 174.45 2yug n ASP 111 N 5.30 -2.61 0.00 6.67 8.00 -1.26 -2.24 116.55 130.41 2yug n ASP 111 Ca -0.03 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.77 2yug n ASP 111 Cb 0.46 -4.62 0.00 0.00 -0.02 0.00 0.00 41.12 36.94 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 -1.46 2.47 3.24 0.44 0.00 -1.26 -5.01 105.19 103.61 2yug n GLY 112 Ca -0.22 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.43 0.00 1.61 -0.14 -0.95 -4.94 119.74 111.89 2yug s LYS 113 Ca 0.00 0.07 -0.29 0.00 -1.36 0.00 0.00 55.97 54.39 2yug s LYS 113 Cb 0.00 -1.32 0.08 0.00 -1.68 0.00 0.00 37.83 34.90 2yug s LYS 113 CO 0.00 -5.18 0.70 0.00 -0.76 0.00 0.00 175.35 170.10 2yug s MET 114 N -5.13 1.07 0.12 1.68 0.23 -1.22 -2.09 119.30 113.96 2yug s MET 114 Ca 0.68 0.02 -0.06 0.00 -1.03 0.00 0.00 55.69 55.31 2yug s MET 114 Cb -0.12 0.50 -0.02 0.00 -1.53 0.00 0.00 34.83 33.66 2yug s MET 114 CO 0.57 -0.38 0.16 0.00 -2.03 0.00 0.00 175.02 173.34 2yug s ALA 115 N -1.98 0.25 -0.17 3.16 0.00 -0.62 -1.63 121.76 120.77 2yug s ALA 115 Ca -0.06 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 2yug s ALA 115 Cb -0.00 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2yug s ALA 115 CO 0.02 -0.54 -0.14 -1.17 0.00 0.00 0.00 175.76 173.94 2yug s LEU 116 N -2.96 2.52 -0.22 0.00 2.96 -1.26 -1.36 118.68 118.36 2yug s LEU 116 Ca 0.15 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 2yug s LEU 116 Cb 0.05 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 2yug s LEU 116 CO -0.03 0.05 0.06 -0.22 -1.32 0.00 0.00 176.35 174.89 2yug s LEU 117 N 1.02 3.51 0.98 -0.68 2.96 -1.12 -2.38 118.68 122.97 2yug s LEU 117 Ca -0.01 -0.13 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 2yug s LEU 117 Cb -0.15 -1.92 0.18 0.00 0.50 0.00 0.00 46.19 44.80 2yug s LEU 117 CO -0.03 0.03 1.08 0.00 -1.32 0.00 0.00 176.35 176.12 2yug s ALA 118 N 1.21 0.92 -0.14 5.97 0.00 -0.40 -2.51 121.76 126.81 2yug s ALA 118 Ca 0.04 0.04 0.27 0.00 0.00 0.00 0.00 51.96 52.32 2yug s ALA 118 Cb -0.14 -3.26 1.30 0.00 0.00 0.00 0.00 23.12 21.02 2yug s ALA 118 CO 0.03 -2.89 1.81 1.03 0.00 0.00 0.00 175.76 175.74 2yug h SER 119 N -1.94 0.00 -0.45 0.00 0.87 -1.78 -1.72 113.55 108.53 2yug h SER 119 Ca -0.52 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 59.99 2yug h SER 119 Cb 1.30 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.23 2yug h SER 119 CO 0.51 0.00 0.06 -0.46 -0.53 0.00 0.00 176.83 176.41 2yug n ASN 120 N -2.46 4.25 -3.57 6.23 0.23 -1.26 -4.91 115.26 113.77 2yug n ASN 120 Ca -0.00 -2.72 -0.20 0.00 -0.53 0.00 0.00 54.58 51.12 2yug n ASN 120 Cb 0.14 -0.65 0.05 0.00 -2.08 0.00 0.00 39.78 37.24 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 0.30 -2.60 -3.69 0.53 2.88 -0.65 -5.00 113.62 105.38 2yug n SER 121 Ca 0.23 -0.78 -0.12 0.00 -1.33 0.00 0.00 58.87 56.86 2yug n SER 121 Cb 0.98 -4.40 -0.12 0.00 -0.75 0.00 0.00 64.21 59.92 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 1.82 2.97 0.82 0.00 0.08 -1.08 -1.27 117.98 121.32 2yug s PHE 123 Ca -0.05 0.55 -0.11 0.00 0.12 0.00 0.00 56.93 57.45 2yug s PHE 123 Cb -0.11 -3.96 0.09 0.00 -0.57 0.00 0.00 43.02 38.47 2yug s PHE 123 CO -0.09 -3.58 1.10 0.96 -0.10 0.00 0.00 175.22 173.50 2yug s ILE 124 N 1.32 3.01 0.05 0.64 -4.36 -1.00 0.10 121.20 120.96 2yug s ILE 124 Ca 0.71 0.33 -0.28 0.00 -0.26 0.00 0.00 60.65 61.15 2yug s ILE 124 Cb -0.44 -2.73 0.10 0.00 1.25 0.00 0.00 42.46 40.64 2yug s ILE 124 CO 0.31 -0.43 1.18 -0.60 0.24 0.00 0.00 174.94 175.65 2yug s ARG 125 N -4.86 0.71 0.21 0.37 3.52 -0.52 -4.60 118.95 113.77 2yug s ARG 125 Ca 0.62 -0.42 0.10 0.00 -0.13 0.00 0.00 55.73 55.91 2yug s ARG 125 Cb -0.18 0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.38 2yug s ARG 125 CO 0.57 -0.33 -0.19 0.00 -0.81 0.00 0.00 175.30 174.53 2yug s ASN 127 N -2.99 5.36 -0.00 0.00 0.01 0.13 -4.91 114.94 112.54 2yug s ASN 127 Ca 0.22 -0.64 -0.23 0.00 -0.71 0.00 0.00 52.86 51.50 2yug s ASN 127 Cb -0.05 -0.27 -0.18 0.00 0.41 0.00 0.00 41.25 41.15 2yug s ASN 127 CO 0.10 -0.97 1.24 -0.33 -1.51 0.00 0.00 177.10 175.63 2yug h GLU 128 N 0.52 0.19 -0.14 -0.60 5.08 -2.02 -3.15 114.58 114.47 2yug h GLU 128 Ca -0.36 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2yug h GLU 128 Cb 1.28 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2yug h GLU 128 CO 0.45 0.70 0.09 0.00 -1.00 0.00 0.00 179.01 179.25 2yug h ALA 129 N 0.50 1.93 0.00 3.43 0.00 -2.03 -3.46 119.26 119.62 2yug h ALA 129 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2yug h ALA 129 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2yug h ALA 129 CO 0.03 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2yug n GLY 130 N -1.52 0.89 2.90 0.00 0.00 -1.19 -4.96 105.19 101.31 2yug n GLY 130 Ca -0.01 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.05 1.37 -0.47 1.61 1.11 -1.26 -4.27 116.67 114.69 2yug s ASP 131 Ca 0.00 -0.18 -0.22 0.00 0.18 0.00 0.00 52.55 52.33 2yug s ASP 131 Cb 0.00 -0.57 0.03 0.00 1.07 0.00 0.00 42.92 43.45 2yug s ASP 131 CO 0.00 -0.06 0.74 -0.63 1.18 0.00 0.00 175.17 176.40 2yug s ILE 132 N 1.12 4.69 0.39 0.77 -1.09 -1.17 0.19 121.20 126.11 2yug s ILE 132 Ca -0.07 0.15 0.08 0.00 -2.23 0.00 0.00 60.65 58.57 2yug s ILE 132 Cb -0.14 -4.32 -0.07 0.00 -1.58 0.00 0.00 42.46 36.34 2yug s ILE 132 CO -0.01 -0.77 -0.01 -1.83 -1.23 0.00 0.00 174.94 171.09 2yug s GLU 133 N 3.15 1.95 -0.62 2.79 4.04 -0.52 0.21 118.70 129.69 2yug s GLU 133 Ca 0.25 -2.02 -0.21 0.00 0.04 0.00 0.00 54.97 53.03 2yug s GLU 133 Cb -0.14 -1.70 0.09 0.00 0.02 0.00 0.00 34.13 32.40 2yug s GLU 133 CO 0.19 0.01 0.83 0.00 -1.84 0.00 0.00 175.26 174.45 2yug s ALA 134 N -2.66 3.27 1.10 -0.84 0.00 -0.91 -1.44 121.76 120.27 2yug s ALA 134 Ca 0.35 -2.02 -0.12 0.00 0.00 0.00 0.00 51.96 50.16 2yug s ALA 134 Cb 0.07 -3.69 0.25 0.00 0.00 0.00 0.00 23.12 19.75 2yug s ALA 134 CO 0.18 -2.55 1.06 0.21 0.00 0.00 0.00 175.76 174.65 2yug s LYS 135 N 3.37 -0.42 1.48 0.00 2.20 0.29 -4.82 119.74 121.83 2yug s LYS 135 Ca 0.17 1.01 -0.25 0.00 -0.36 0.00 0.00 55.97 56.54 2yug s LYS 135 Cb -0.20 -1.60 0.38 0.00 -1.51 0.00 0.00 37.83 34.90 2yug s LYS 135 CO 0.08 -3.44 0.86 -1.71 -0.36 0.00 0.00 175.35 170.79 2yug n ASN 136 N -4.74 -4.21 0.17 1.43 5.15 -1.26 -2.62 115.26 109.18 2yug n ASN 136 Ca 0.05 -0.87 0.01 0.00 -0.60 0.00 0.00 54.58 53.17 2yug n ASN 136 Cb 0.54 -1.00 0.28 0.00 -0.53 0.00 0.00 39.78 39.07 2yug n ASN 136 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2yug h LYS 137 N 0.00 0.00 -6.50 1.20 1.57 -1.93 -3.00 116.57 107.91 2yug h LYS 137 Ca -0.39 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.82 2yug h LYS 137 Cb 1.32 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.68 2yug h LYS 137 CO 0.24 0.47 0.94 0.25 -0.57 0.00 0.00 179.45 180.78 2yug n THR 138 N -3.89 0.15 -3.64 -0.16 -2.24 -1.26 -4.74 114.28 98.50 2yug n THR 138 Ca -0.01 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.35 2yug n THR 138 Cb 0.50 -1.78 -0.09 0.00 -2.10 0.00 0.00 70.33 66.87 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 1.73 3.39 0.90 6.98 0.00 -1.26 -4.91 121.76 128.59 2yug s ALA 139 Ca 0.81 -2.71 -0.11 0.00 0.00 0.00 0.00 51.96 49.95 2yug s ALA 139 Cb -0.61 -2.71 0.20 0.00 0.00 0.00 0.00 23.12 20.00 2yug s ALA 139 CO 0.39 -1.93 1.23 0.20 0.00 0.00 0.00 175.76 175.65 2yug s GLY 140 N 2.05 1.80 0.10 0.00 0.00 -1.26 -4.93 107.32 105.08 2yug s GLY 140 Ca 0.09 -1.55 -0.22 0.00 0.00 0.00 0.00 44.72 43.04 2yug s GLY 140 CO -0.03 -0.79 1.74 0.83 0.00 0.00 0.00 173.10 174.86 2yug h GLU 141 N -1.34 0.05 -0.03 2.90 5.08 -1.98 -2.31 114.58 116.95 2yug h GLU 141 Ca -0.40 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.89 2yug h GLU 141 Cb 1.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2yug h GLU 141 CO 0.33 0.03 -0.29 1.05 -1.00 0.00 0.00 179.01 179.13 2yug h GLU 142 N 0.05 0.05 -0.20 2.33 4.11 -2.00 -2.52 114.58 116.41 2yug h GLU 142 Ca 0.03 -0.02 0.03 0.00 0.07 0.00 0.00 59.36 59.47 2yug h GLU 142 Cb 0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2yug h GLU 142 CO -0.03 0.35 0.14 0.93 0.07 0.00 0.00 179.01 180.47 2yug h GLU 143 N 0.05 0.13 -7.08 1.06 3.07 -1.78 -3.43 114.58 106.61 2yug h GLU 143 Ca 0.01 -0.01 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 2yug h GLU 143 Cb 0.55 -0.03 0.15 0.00 -0.84 0.00 0.00 28.75 28.58 2yug h GLU 143 CO 0.04 0.09 0.58 -1.64 -1.40 0.00 0.00 179.01 176.67 2yug s MET 144 N -5.16 2.87 0.33 2.33 -1.94 -0.95 -4.93 119.30 111.85 2yug s MET 144 Ca -0.06 2.19 0.03 0.00 -1.71 0.00 0.00 55.69 56.14 2yug s MET 144 Cb 0.18 -2.08 -0.04 0.00 2.01 0.00 0.00 34.83 34.90 2yug s MET 144 CO 0.70 -1.39 0.14 0.96 -0.01 0.00 0.00 175.02 175.42 2yug s ILE 145 N -1.33 0.49 -0.27 2.53 -4.36 -0.65 -4.98 121.20 112.64 2yug s ILE 145 Ca 0.77 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 2yug s ILE 145 Cb -0.40 -2.50 0.08 0.00 1.25 0.00 0.00 42.46 40.89 2yug s ILE 145 CO 0.45 0.00 0.01 -0.54 0.24 0.00 0.00 174.94 175.10 2yug s LYS 146 N -3.79 1.34 -0.26 0.37 1.02 -1.17 -3.40 119.74 113.84 2yug s LYS 146 Ca 0.33 -1.17 -0.21 0.00 0.02 0.00 0.00 55.97 54.95 2yug s LYS 146 Cb 0.05 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 2yug s LYS 146 CO 0.17 -0.76 0.65 0.42 -0.92 0.00 0.00 175.35 174.90 2yug s ILE 147 N 1.37 4.96 0.27 2.17 1.01 -1.26 -2.59 121.20 127.13 2yug s ILE 147 Ca 0.01 1.13 0.07 0.00 0.00 0.00 0.00 60.65 61.86 2yug s ILE 147 Cb -0.18 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 2yug s ILE 147 CO -0.11 -0.01 0.25 -0.13 0.00 0.00 0.00 174.94 174.94 2yug s ARG 148 N 2.56 2.96 -0.04 2.79 0.52 0.14 -3.15 118.95 124.74 2yug s ARG 148 Ca 0.27 -1.06 -0.06 0.00 -0.52 0.00 0.00 55.73 54.36 2yug s ARG 148 Cb -0.15 -2.60 0.01 0.00 0.52 0.00 0.00 34.95 32.72 2yug s ARG 148 CO 0.09 0.32 0.15 0.45 0.02 0.00 0.00 175.30 176.33 2yug s SER 149 N -3.91 -0.10 -0.36 0.23 0.15 -0.23 -0.26 113.70 109.22 2yug s SER 149 Ca 0.35 0.15 0.06 0.00 0.70 0.00 0.00 55.95 57.21 2yug s SER 149 Cb -0.08 0.29 0.52 0.00 -1.71 0.00 0.00 66.02 65.04 2yug s SER 149 CO 0.26 -0.16 1.56 0.00 1.20 0.00 0.00 173.24 176.10 2yug s ALA 151 N -3.38 3.12 -0.48 0.00 0.00 -1.26 -4.94 121.76 114.81 2yug s ALA 151 Ca 0.50 0.91 -0.28 0.00 0.00 0.00 0.00 51.96 53.09 2yug s ALA 151 Cb 0.43 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 2yug s ALA 151 CO 0.02 -0.48 1.69 -1.21 0.00 0.00 0.00 175.76 175.78 2yug s GLU 152 N -2.38 3.11 0.63 0.00 2.02 -1.26 -4.99 118.70 115.84 2yug s GLU 152 Ca 0.58 0.89 -0.11 0.00 0.02 0.00 0.00 54.97 56.35 2yug s GLU 152 Cb -0.29 -4.23 0.15 0.00 0.10 0.00 0.00 34.13 29.87 2yug s GLU 152 CO 0.36 -2.14 0.64 0.54 0.02 0.00 0.00 175.26 174.68 2yug n ARG 153 N 8.69 -1.71 -1.14 1.61 1.74 -1.26 -4.94 116.66 119.64 2yug n ARG 153 Ca 0.19 -1.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.04 2yug n ARG 153 Cb 0.49 -0.85 0.16 0.00 -1.02 0.00 0.00 32.46 31.24 2yug n ARG 153 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2yug n GLU 154 N -3.08 2.18 -0.40 5.56 4.71 -1.26 -5.31 120.64 123.05 2yug n GLU 154 Ca 0.09 -2.79 0.00 0.00 -0.01 0.00 0.00 57.16 54.44 2yug n GLU 154 Cb 0.32 -2.09 0.00 0.00 -1.01 0.00 0.00 31.44 28.65 2yug n GLU 154 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47