#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 6.94 -0.42 1.61 0.15 -1.26 -4.97 113.70 115.75 2yug s SER 2 Ca 0.00 1.12 0.04 0.00 0.70 0.00 0.00 55.95 57.82 2yug s SER 2 Cb 0.00 -2.37 0.49 0.00 -1.71 0.00 0.00 66.02 62.43 2yug s SER 2 CO 0.00 0.04 1.60 -1.20 1.20 0.00 0.00 173.24 174.87 2yug n SER 3 N 3.10 4.93 -4.76 5.45 7.64 -1.26 -5.04 113.62 123.68 2yug n SER 3 Ca -0.06 -3.77 -0.41 0.00 1.01 0.00 0.00 58.87 55.65 2yug n SER 3 Cb 0.51 -0.67 0.01 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.94 1.06 3.80 0.23 0.00 -1.26 -5.02 105.19 103.06 2yug n GLY 4 Ca 0.48 0.24 -0.23 0.00 0.00 0.00 0.00 46.02 46.51 2yug n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yug s SER 5 N -0.33 4.70 0.00 1.61 0.15 -1.26 -5.07 113.70 113.50 2yug s SER 5 Ca 0.58 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2yug s SER 5 Cb -0.46 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 2yug s SER 5 CO 0.60 -0.58 0.00 -1.20 1.20 0.00 0.00 173.24 173.26 2yug n SER 6 N -1.36 1.62 0.00 5.45 7.64 -1.26 -5.15 113.62 120.55 2yug n SER 6 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2yug n SER 6 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 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 2.81 4.92 3.12 0.23 0.00 -1.26 -5.14 105.19 109.86 2yug n GLY 7 Ca 0.00 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 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 1.95 -0.21 0.99 2.96 -1.26 -5.09 118.68 118.02 2yug s LEU 8 Ca 0.00 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 53.50 2yug s LEU 8 Cb 0.00 -0.87 -0.05 0.00 0.50 0.00 0.00 46.19 45.77 2yug s LEU 8 CO 0.00 0.16 0.16 -0.62 -1.32 0.00 0.00 176.35 174.73 2yug s ASP 9 N -0.12 6.20 -0.04 3.68 2.15 -1.26 -5.00 116.67 122.29 2yug s ASP 9 Ca 0.01 0.22 0.04 0.00 0.43 0.00 0.00 52.55 53.25 2yug s ASP 9 Cb -0.09 -2.11 -0.00 0.00 -0.30 0.00 0.00 42.92 40.42 2yug s ASP 9 CO 0.01 0.13 -0.17 -0.51 -0.17 0.00 0.00 175.17 174.46 2yug s ILE 10 N 0.64 1.37 -0.34 4.11 2.07 -1.26 -1.46 121.20 126.33 2yug s ILE 10 Ca 0.09 -0.70 -0.01 0.00 -1.41 0.00 0.00 60.65 58.63 2yug s ILE 10 Cb -0.12 -1.17 0.11 0.00 0.13 0.00 0.00 42.46 41.41 2yug s ILE 10 CO 0.01 0.39 0.14 -0.69 -1.91 0.00 0.00 174.94 172.89 2yug s VAL 11 N -0.04 0.76 0.00 4.00 1.01 0.74 -4.97 120.40 121.89 2yug s VAL 11 Ca -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2yug s VAL 11 Cb -0.10 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2yug s VAL 11 CO 0.01 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 174.96 2yug n GLY 12 N 4.54 0.94 1.19 4.51 0.00 -1.26 -1.90 105.19 113.22 2yug n GLY 12 Ca 0.01 0.49 0.04 0.00 0.00 0.00 0.00 46.02 46.56 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 1.07 -4.17 -0.61 -5.35 -1.26 -5.06 119.36 103.98 2yug n ILE 13 Ca 0.00 -2.13 -0.16 0.00 -0.27 0.00 0.00 62.75 60.19 2yug n ILE 13 Cb 0.00 0.42 -0.13 0.00 -1.74 0.00 0.00 39.64 38.19 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 -1.64 0.65 -0.01 4.28 0.52 -0.80 -4.30 118.94 117.64 2yug s TRP 14 Ca 0.36 -0.26 0.00 0.00 0.02 0.00 0.00 56.10 56.22 2yug s TRP 14 Cb 0.38 -0.40 0.01 0.00 -1.15 0.00 0.00 33.47 32.31 2yug s TRP 14 CO -0.12 -0.03 0.01 1.67 0.02 0.00 0.00 176.95 178.50 2yug s TRP 15 N -0.62 0.06 0.38 -1.98 1.48 0.20 -0.19 118.94 118.28 2yug s TRP 15 Ca -0.02 0.04 -0.26 0.00 -1.06 0.00 0.00 56.10 54.80 2yug s TRP 15 Cb -0.05 -0.14 -0.09 0.00 -1.16 0.00 0.00 33.47 32.03 2yug s TRP 15 CO 0.00 -0.04 1.18 0.99 -4.06 0.00 0.00 176.95 175.02 2yug s THR 16 N 0.47 3.12 0.78 0.66 2.01 -0.53 0.92 115.64 123.07 2yug s THR 16 Ca -0.04 0.98 -0.11 0.00 0.31 0.00 0.00 61.69 62.83 2yug s THR 16 Cb -0.06 -3.57 0.08 0.00 0.01 0.00 0.00 72.50 68.96 2yug s THR 16 CO -0.01 0.12 1.14 0.68 -0.69 0.00 0.00 174.62 175.86 2yug s VAL 17 N -1.36 2.07 0.00 3.82 -7.23 -0.90 -4.72 120.40 112.08 2yug s VAL 17 Ca 0.55 -0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.65 2yug s VAL 17 Cb -0.32 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.62 2yug s VAL 17 CO 0.41 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.66 2yug n SER 18 N -3.22 1.20 -4.28 4.85 3.41 -1.26 -4.97 113.62 109.35 2yug n SER 18 Ca 0.08 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.46 2yug n SER 18 Cb 0.61 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.46 2yug n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2yug s ASN 19 N -4.36 2.39 0.17 4.04 4.22 -1.26 -4.97 114.94 115.17 2yug s ASN 19 Ca 0.00 -1.51 -0.14 0.00 -2.14 0.00 0.00 52.86 49.07 2yug s ASN 19 Cb 0.00 0.22 0.07 0.00 1.28 0.00 0.00 41.25 42.82 2yug s ASN 19 CO 0.00 -0.77 1.83 0.15 -2.04 0.00 0.00 177.10 176.27 2yug h PHE 20 N 2.00 0.63 -0.22 1.54 3.57 -1.96 -1.83 116.94 120.67 2yug h PHE 20 Ca -0.38 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.20 2yug h PHE 20 Cb 1.26 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 2yug h PHE 20 CO 0.98 0.39 0.23 0.78 -2.23 0.00 0.00 178.31 178.45 2yug h GLY 21 N 0.68 0.00 1.60 2.40 0.00 -2.03 -0.37 103.07 105.35 2yug h GLY 21 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.33 2yug h GLY 21 CO -0.05 0.00 -0.78 0.83 0.00 0.00 0.00 176.54 176.54 2yug h GLU 22 N 0.00 0.38 -6.42 4.80 5.08 -1.74 -3.42 114.58 113.26 2yug h GLU 22 Ca 0.11 -0.33 -0.57 0.00 -1.00 0.00 0.00 59.36 57.57 2yug h GLU 22 Cb 0.56 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 2yug h GLU 22 CO -0.00 0.98 1.02 0.42 -1.00 0.00 0.00 179.01 180.43 2yug s ILE 23 N -3.52 4.03 -0.30 3.13 1.01 -0.15 -4.92 121.20 120.48 2yug s ILE 23 Ca -0.05 1.12 -0.06 0.00 0.00 0.00 0.00 60.65 61.66 2yug s ILE 23 Cb 0.10 -4.16 0.19 0.00 0.01 0.00 0.00 42.46 38.60 2yug s ILE 23 CO 0.84 -0.58 0.90 -0.55 0.00 0.00 0.00 174.94 175.55 2yug s SER 24 N 3.29 -0.81 0.00 3.58 0.15 -1.26 -4.98 113.70 113.66 2yug s SER 24 Ca 0.59 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.34 2yug s SER 24 Cb -0.16 1.52 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 2yug s SER 24 CO 0.27 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.17 2yug n GLY 25 N 5.22 0.27 3.70 9.45 0.00 -1.26 -4.95 105.19 117.60 2yug n GLY 25 Ca 0.08 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.49 4.58 0.01 2.61 2.01 -1.26 0.58 115.64 123.68 2yug s THR 26 Ca 0.00 1.86 -0.02 0.00 0.31 0.00 0.00 61.69 63.84 2yug s THR 26 Cb 0.00 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 2yug s THR 26 CO 0.00 0.05 0.03 0.27 -0.69 0.00 0.00 174.62 174.28 2yug s ILE 27 N 1.72 0.08 -0.08 1.82 -0.00 0.29 -3.28 121.20 121.75 2yug s ILE 27 Ca 0.52 -0.66 0.05 0.00 -0.00 0.00 0.00 60.65 60.57 2yug s ILE 27 Cb -0.22 -0.27 -0.01 0.00 -0.00 0.00 0.00 42.46 41.97 2yug s ILE 27 CO 0.23 -0.36 -0.23 0.00 -0.00 0.00 0.00 174.94 174.57 2yug s ALA 28 N -1.12 2.22 -0.18 2.27 0.00 0.14 -1.40 121.76 123.69 2yug s ALA 28 Ca -0.12 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 2yug s ALA 28 Cb -0.07 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 2yug s ALA 28 CO -0.00 0.37 -0.03 0.42 0.00 0.00 0.00 175.76 176.52 2yug s ILE 29 N 0.00 3.84 -0.38 0.00 1.09 -1.26 0.09 121.20 124.58 2yug s ILE 29 Ca -0.08 -0.36 -0.10 0.00 -1.10 0.00 0.00 60.65 59.00 2yug s ILE 29 Cb -0.15 -2.71 0.04 0.00 -1.06 0.00 0.00 42.46 38.59 2yug s ILE 29 CO 0.05 0.47 0.21 -0.70 -0.10 0.00 0.00 174.94 174.87 2yug s GLU 30 N 0.67 2.74 -0.02 2.79 2.12 -1.24 -3.69 118.70 122.08 2yug s GLU 30 Ca -0.02 -1.19 -0.00 0.00 0.36 0.00 0.00 54.97 54.12 2yug s GLU 30 Cb -0.14 -3.72 -0.00 0.00 0.26 0.00 0.00 34.13 30.53 2yug s GLU 30 CO 0.02 -0.76 -0.00 0.52 -0.54 0.00 0.00 175.26 174.50 2yug h MET 31 N 8.41 0.00 -7.50 4.30 2.86 -1.89 -3.27 114.93 117.83 2yug h MET 31 Ca -0.25 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 56.97 2yug h MET 31 Cb 1.10 0.00 0.19 0.00 0.06 0.00 0.00 31.60 32.94 2yug h MET 31 CO 0.68 0.00 0.20 0.34 1.06 0.00 0.00 176.91 179.20 2yug s ASP 32 N -3.62 1.42 -1.15 1.22 2.15 -1.22 -4.89 116.67 110.57 2yug s ASP 32 Ca -0.00 0.53 -0.21 0.00 0.43 0.00 0.00 52.55 53.29 2yug s ASP 32 Cb 0.00 -0.71 0.04 0.00 -0.30 0.00 0.00 42.92 41.95 2yug s ASP 32 CO 0.00 -3.81 1.67 -0.54 -0.17 0.00 0.00 175.17 172.33 2yug s LYS 33 N -5.54 3.55 0.00 4.34 -0.14 -1.26 -3.63 119.74 117.06 2yug s LYS 33 Ca 0.72 -1.44 0.00 0.00 -1.36 0.00 0.00 55.97 53.89 2yug s LYS 33 Cb -0.08 -5.40 0.00 0.00 -1.68 0.00 0.00 37.83 30.67 2yug s LYS 33 CO 0.55 -2.53 0.00 0.41 -0.76 0.00 0.00 175.35 173.02 2yug n GLY 34 N 6.12 2.17 3.86 -3.33 0.00 -1.26 -4.93 105.19 107.81 2yug n GLY 34 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 2yug n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yug s ALA 35 N -2.33 3.23 0.48 4.61 0.00 -1.24 -3.44 121.76 123.07 2yug s ALA 35 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2yug s ALA 35 Cb 0.00 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2yug s ALA 35 CO 0.00 -0.00 0.06 0.71 0.00 0.00 0.00 175.76 176.52 2yug s TYR 36 N -2.36 1.81 -0.17 0.00 1.51 -1.26 -3.30 117.35 113.58 2yug s TYR 36 Ca 0.55 -1.11 -0.28 0.00 -1.01 0.00 0.00 57.07 55.22 2yug s TYR 36 Cb -0.10 -1.42 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 2yug s TYR 36 CO 0.27 -0.00 0.95 0.42 -1.11 0.00 0.00 175.55 176.08 2yug s ILE 37 N -3.01 4.79 0.08 2.71 1.01 -1.24 -0.15 121.20 125.39 2yug s ILE 37 Ca 0.11 1.88 0.04 0.00 0.00 0.00 0.00 60.65 62.69 2yug s ILE 37 Cb 0.01 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2yug s ILE 37 CO 0.07 -0.04 0.02 -2.28 0.00 0.00 0.00 174.94 172.71 2yug s HIS 38 N 2.43 3.06 0.25 3.97 2.46 -0.27 -4.34 115.29 122.85 2yug s HIS 38 Ca 0.43 0.02 0.08 0.00 0.47 0.00 0.00 55.06 56.05 2yug s HIS 38 Cb -0.17 -1.57 -0.04 0.00 -0.13 0.00 0.00 32.58 30.67 2yug s HIS 38 CO 0.12 0.49 0.11 0.00 -2.47 0.00 0.00 174.74 172.99 2yug s ALA 39 N -1.31 3.41 0.32 1.58 0.00 -1.26 -2.28 121.76 122.22 2yug s ALA 39 Ca 0.26 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.78 2yug s ALA 39 Cb -0.12 -1.10 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 2yug s ALA 39 CO 0.19 0.29 0.04 -0.51 0.00 0.00 0.00 175.76 175.77 2yug s LEU 40 N -3.68 2.21 -0.08 0.00 1.43 -0.48 -4.87 118.68 113.23 2yug s LEU 40 Ca 0.32 -1.35 0.06 0.00 -1.03 0.00 0.00 54.13 52.13 2yug s LEU 40 Cb -0.08 -0.40 -0.24 0.00 0.03 0.00 0.00 46.19 45.50 2yug s LEU 40 CO 0.23 -0.58 0.53 0.47 0.23 0.00 0.00 176.35 177.23 2yug n ASP 41 N -0.66 1.27 0.26 2.29 9.92 -1.26 -4.04 116.55 124.33 2yug n ASP 41 Ca -0.03 0.33 0.09 0.00 -0.53 0.00 0.00 54.79 54.65 2yug n ASP 41 Cb 0.66 -0.29 0.67 0.00 -0.64 0.00 0.00 41.12 41.52 2yug n ASP 41 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 2yug h ASN 42 N 0.02 0.00 0.00 -2.24 -1.24 -2.01 -3.45 115.58 106.67 2yug h ASN 42 Ca -0.34 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.67 2yug h ASN 42 Cb 2.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.08 2yug h ASN 42 CO 0.08 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.83 2yug n GLY 43 N -1.51 1.48 3.28 1.57 0.00 -1.26 -5.15 105.19 103.60 2yug n GLY 43 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 1.49 -0.11 0.99 1.43 -1.26 -4.59 118.68 116.62 2yug s LEU 44 Ca 0.00 -1.48 -0.02 0.00 -1.03 0.00 0.00 54.13 51.60 2yug s LEU 44 Cb 0.00 0.26 0.04 0.00 0.03 0.00 0.00 46.19 46.52 2yug s LEU 44 CO 0.00 -0.86 0.01 -0.36 0.23 0.00 0.00 176.35 175.37 2yug s PHE 45 N -3.82 0.83 0.41 0.29 0.40 -1.26 -1.38 117.98 113.45 2yug s PHE 45 Ca 0.38 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 56.37 2yug s PHE 45 Cb 0.06 -0.90 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 2yug s PHE 45 CO 0.16 -0.42 0.21 -0.08 0.70 0.00 0.00 175.22 175.79 2yug s THR 46 N 1.92 2.38 -0.26 0.64 -1.32 -0.96 -3.01 115.64 115.04 2yug s THR 46 Ca 0.03 -1.64 -0.29 0.00 -1.21 0.00 0.00 61.69 58.58 2yug s THR 46 Cb -0.14 -3.00 -0.01 0.00 -1.51 0.00 0.00 72.50 67.85 2yug s THR 46 CO -0.06 -0.01 1.41 -0.22 -2.21 0.00 0.00 174.62 173.53 2yug s LEU 47 N -3.94 3.92 1.17 9.08 2.96 -1.26 -1.11 118.68 129.50 2yug s LEU 47 Ca 0.42 1.41 -0.13 0.00 -0.22 0.00 0.00 54.13 55.61 2yug s LEU 47 Cb 0.03 -3.54 0.28 0.00 0.50 0.00 0.00 46.19 43.46 2yug s LEU 47 CO 0.23 -1.10 0.96 0.61 -1.32 0.00 0.00 176.35 175.73 2yug n GLY 48 N 4.36 -2.01 3.68 7.98 0.00 0.79 -4.82 105.19 115.17 2yug n GLY 48 Ca 0.16 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.40 3.58 0.15 4.61 0.00 -1.26 -4.32 121.76 122.12 2yug s ALA 49 Ca 0.68 0.80 -0.31 0.00 0.00 0.00 0.00 51.96 53.13 2yug s ALA 49 Cb -0.25 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.19 2yug s ALA 49 CO 0.65 -0.95 1.34 -1.25 0.00 0.00 0.00 175.76 175.55 2yug s PRO 50 N 2.61 4.35 -0.23 0.00 0.04 -1.26 -4.65 135.00 135.86 2yug s PRO 50 Ca 0.62 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.44 2yug s PRO 50 Cb -0.29 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.02 2yug s PRO 50 CO 0.25 -0.35 0.97 -1.01 0.04 0.00 0.00 177.00 176.90 2yug s HIS 51 N 0.68 3.33 0.14 0.56 3.76 -1.22 -4.91 115.29 117.63 2yug s HIS 51 Ca 0.61 1.36 -0.17 0.00 -0.15 0.00 0.00 55.06 56.71 2yug s HIS 51 Cb -0.36 -3.20 -0.01 0.00 1.11 0.00 0.00 32.58 30.12 2yug s HIS 51 CO 0.34 -0.45 1.80 0.07 -0.85 0.00 0.00 174.74 175.64 2yug h ARG 52 N 7.53 0.47 -6.92 1.40 0.11 -1.93 -3.43 114.38 111.61 2yug h ARG 52 Ca -0.20 -0.03 -0.50 0.00 0.10 0.00 0.00 59.98 59.35 2yug h ARG 52 Cb 1.07 -0.10 0.04 0.00 1.11 0.00 0.00 29.97 32.08 2yug h ARG 52 CO 0.95 0.32 0.48 -1.21 0.10 0.00 0.00 179.97 180.60 2yug s GLU 53 N -6.13 4.22 0.21 0.08 2.02 -1.26 -4.95 118.70 112.88 2yug s GLU 53 Ca -0.13 1.75 0.05 0.00 0.02 0.00 0.00 54.97 56.66 2yug s GLU 53 Cb 0.10 -2.76 0.15 0.00 0.10 0.00 0.00 34.13 31.72 2yug s GLU 53 CO 0.72 -0.15 1.48 0.28 0.02 0.00 0.00 175.26 177.61 2yug h VAL 54 N 2.47 1.46 -3.21 2.63 2.07 -2.03 -3.38 116.25 116.26 2yug h VAL 54 Ca -0.48 -2.34 -0.76 0.00 0.82 0.00 0.00 66.70 63.94 2yug h VAL 54 Cb 1.22 2.26 -0.23 0.00 -1.52 0.00 0.00 31.29 33.02 2yug h VAL 54 CO 0.63 0.68 0.51 -0.62 0.02 0.00 0.00 177.57 178.80 2yug s ASP 55 N -6.89 6.89 -0.29 0.57 2.15 -1.26 -4.95 116.67 112.90 2yug s ASP 55 Ca -0.03 -2.76 -0.12 0.00 0.43 0.00 0.00 52.55 50.08 2yug s ASP 55 Cb 0.11 -2.28 0.11 0.00 -0.30 0.00 0.00 42.92 40.56 2yug s ASP 55 CO 0.80 -0.66 0.64 -1.61 -0.17 0.00 0.00 175.17 174.18 2yug s GLU 56 N 0.67 0.60 0.41 4.34 2.02 -1.26 -5.05 118.70 120.43 2yug s GLU 56 Ca 0.27 1.36 -0.23 0.00 0.02 0.00 0.00 54.97 56.39 2yug s GLU 56 Cb -0.08 0.62 -0.09 0.00 0.10 0.00 0.00 34.13 34.68 2yug s GLU 56 CO -0.08 -0.19 1.01 0.20 0.02 0.00 0.00 175.26 176.22 2yug s GLY 57 N 2.50 2.63 0.78 -1.39 0.00 -1.26 -5.01 107.32 105.56 2yug s GLY 57 Ca -0.07 0.58 -0.15 0.00 0.00 0.00 0.00 44.72 45.08 2yug s GLY 57 CO -0.19 0.96 0.65 -1.05 0.00 0.00 0.00 173.10 173.48 2yug n PRO 58 N -0.26 0.19 -1.43 2.90 -0.02 -1.26 -4.97 135.00 130.15 2yug n PRO 58 Ca 0.06 0.12 -0.31 0.00 -2.02 0.00 0.00 63.50 61.35 2yug n PRO 58 Cb 0.51 -1.97 0.08 0.00 -0.02 0.00 0.00 33.50 32.10 2yug n PRO 58 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2yug s SER 59 N -1.69 4.84 0.19 2.55 0.01 -1.26 -4.78 113.70 113.56 2yug s SER 59 Ca 0.66 1.64 -0.13 0.00 1.31 0.00 0.00 55.95 59.43 2yug s SER 59 Cb -0.31 -2.43 0.21 0.00 0.21 0.00 0.00 66.02 63.70 2yug s SER 59 CO 0.58 -1.79 1.67 -0.65 0.41 0.00 0.00 173.24 173.46 2yug h PRO 60 N -0.96 0.09 0.00 12.44 0.11 -1.95 0.10 132.00 141.83 2yug h PRO 60 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2yug h PRO 60 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2yug h PRO 60 CO 0.55 0.06 0.00 -1.00 -0.21 0.00 0.00 178.00 177.40 2yug h PRO 61 N 0.10 0.00 0.02 1.05 0.13 -1.93 -2.85 132.00 128.51 2yug h PRO 61 Ca 0.27 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.15 2yug h PRO 61 Cb 0.41 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.51 2yug h PRO 61 CO -0.46 0.00 -1.26 0.93 -0.23 0.00 0.00 178.00 176.98 2yug h GLU 62 N 0.00 0.04 -6.66 0.86 5.08 -1.24 -3.33 114.58 109.33 2yug h GLU 62 Ca 0.00 -0.07 -0.52 0.00 -1.00 0.00 0.00 59.36 57.77 2yug h GLU 62 Cb 0.48 0.03 0.06 0.00 0.50 0.00 0.00 28.75 29.81 2yug h GLU 62 CO 0.00 0.89 0.93 -0.65 -1.00 0.00 0.00 179.01 179.18 2yug s GLN 63 N -2.67 4.17 0.26 2.33 -0.21 -0.34 -4.75 119.66 118.45 2yug s GLN 63 Ca -0.02 2.49 0.10 0.00 0.02 0.00 0.00 55.36 57.96 2yug s GLN 63 Cb 0.09 -3.10 -0.04 0.00 1.00 0.00 0.00 33.01 30.95 2yug s GLN 63 CO 0.83 -0.66 -0.07 -0.06 -2.12 0.00 0.00 175.29 173.20 2yug s PHE 64 N 0.95 2.57 -0.14 0.91 0.08 -0.50 -2.21 117.98 119.66 2yug s PHE 64 Ca 0.71 -0.25 0.02 0.00 0.12 0.00 0.00 56.93 57.53 2yug s PHE 64 Cb -0.47 -1.15 0.01 0.00 -0.57 0.00 0.00 43.02 40.85 2yug s PHE 64 CO 0.34 0.63 -0.20 0.99 -0.10 0.00 0.00 175.22 176.88 2yug s THR 65 N -2.29 1.94 0.48 0.64 2.01 0.16 0.10 115.64 118.68 2yug s THR 65 Ca 0.30 -0.90 -0.14 0.00 0.31 0.00 0.00 61.69 61.26 2yug s THR 65 Cb -0.06 -1.72 -0.07 0.00 0.01 0.00 0.00 72.50 70.65 2yug s THR 65 CO 0.18 0.53 0.90 0.00 -0.69 0.00 0.00 174.62 175.54 2yug s ALA 66 N 0.88 3.18 -0.20 7.40 0.00 0.19 0.28 121.76 133.50 2yug s ALA 66 Ca -0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 2yug s ALA 66 Cb -0.15 -2.95 0.10 0.00 0.00 0.00 0.00 23.12 20.12 2yug s ALA 66 CO -0.02 -0.19 0.29 0.08 0.00 0.00 0.00 175.76 175.92 2yug s VAL 67 N -2.58 -0.46 0.55 0.00 1.01 -0.87 -4.22 120.40 113.83 2yug s VAL 67 Ca 0.55 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 2yug s VAL 67 Cb -0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 2yug s VAL 67 CO 0.33 -0.08 1.25 -0.54 0.00 0.00 0.00 175.10 176.06 2yug s LYS 68 N 2.44 3.18 0.00 2.72 1.02 -1.26 -1.22 119.74 126.62 2yug s LYS 68 Ca 0.07 1.95 0.00 0.00 0.02 0.00 0.00 55.97 58.01 2yug s LYS 68 Cb -0.14 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 2yug s LYS 68 CO -0.12 -1.07 0.00 1.28 -0.92 0.00 0.00 175.35 174.51 2yug n LEU 69 N -1.18 0.00 0.00 3.17 4.77 -1.10 -4.91 117.00 117.75 2yug n LEU 69 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2yug n LEU 69 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2yug n LEU 69 CO 0.48 -0.40 0.00 -1.20 -1.33 0.00 0.00 177.39 174.94 2yug n SER 70 N -2.19 0.00 -2.96 -1.43 7.64 -1.23 -4.98 113.62 108.48 2yug n SER 70 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 2yug n SER 70 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2yug n SER 70 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2yug n ASP 71 N 0.00 -5.83 -2.43 6.43 8.00 -1.26 -1.20 116.55 120.26 2yug n ASP 71 Ca 0.00 -0.25 -0.20 0.00 0.71 0.00 0.00 54.79 55.05 2yug n ASP 71 Cb 0.00 -4.74 0.00 0.00 -0.02 0.00 0.00 41.12 36.36 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 -2.42 -5.74 -4.28 -2.24 7.64 -1.26 -4.97 113.62 100.36 2yug n SER 72 Ca -0.12 -0.09 -0.38 0.00 1.01 0.00 0.00 58.87 59.28 2yug n SER 72 Cb 0.62 -4.71 -0.12 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 -5.17 2.62 0.42 1.43 1.81 -0.34 -4.34 118.95 115.38 2yug s ARG 73 Ca 0.08 -1.22 0.08 0.00 -1.72 0.00 0.00 55.73 52.95 2yug s ARG 73 Cb -0.04 -3.53 0.00 0.00 -0.45 0.00 0.00 34.95 30.94 2yug s ARG 73 CO 0.10 -0.71 0.51 0.96 -0.68 0.00 0.00 175.30 175.48 2yug s ILE 74 N 1.41 2.88 -0.12 1.52 -4.36 -1.23 -2.71 121.20 118.59 2yug s ILE 74 Ca -0.01 -1.11 0.02 0.00 -0.26 0.00 0.00 60.65 59.29 2yug s ILE 74 Cb -0.20 -2.99 0.01 0.00 1.25 0.00 0.00 42.46 40.54 2yug s ILE 74 CO 0.03 0.00 -0.17 0.00 0.24 0.00 0.00 174.94 175.04 2yug s ALA 75 N -2.39 1.88 -0.29 2.27 0.00 -0.35 -1.97 121.76 120.89 2yug s ALA 75 Ca 0.53 -0.86 -0.25 0.00 0.00 0.00 0.00 51.96 51.38 2yug s ALA 75 Cb -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2yug s ALA 75 CO 0.31 -0.09 0.88 -0.51 0.00 0.00 0.00 175.76 176.36 2yug s LEU 76 N 0.97 4.05 -0.27 0.00 1.43 -1.26 -2.06 118.68 121.54 2yug s LEU 76 Ca -0.06 0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 53.82 2yug s LEU 76 Cb -0.15 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 2yug s LEU 76 CO -0.02 -0.67 0.11 -0.75 0.23 0.00 0.00 176.35 175.25 2yug s LYS 77 N 3.12 3.63 1.12 1.70 2.20 0.14 0.64 119.74 132.30 2yug s LYS 77 Ca 0.37 -0.51 -0.12 0.00 -0.36 0.00 0.00 55.97 55.35 2yug s LYS 77 Cb -0.14 -3.44 0.26 0.00 -1.51 0.00 0.00 37.83 33.00 2yug s LYS 77 CO 0.12 -0.24 1.05 -1.54 -0.36 0.00 0.00 175.35 174.38 2yug s SER 78 N 1.64 1.27 0.28 1.43 1.04 0.24 0.35 113.70 119.95 2yug s SER 78 Ca 0.06 1.70 -0.04 0.00 0.48 0.00 0.00 55.95 58.15 2yug s SER 78 Cb -0.16 -2.39 0.37 0.00 0.10 0.00 0.00 66.02 63.94 2yug s SER 78 CO 0.06 -4.05 1.94 1.23 0.98 0.00 0.00 173.24 173.40 2yug h GLY 79 N -2.52 1.31 1.95 7.32 0.00 -1.55 -1.64 103.07 107.95 2yug h GLY 79 Ca -0.58 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.27 2yug h GLY 79 CO 0.48 0.45 0.02 -0.97 0.00 0.00 0.00 176.54 176.52 2yug h TYR 80 N 1.23 0.06 0.00 5.60 0.05 -1.86 -3.46 116.97 118.58 2yug h TYR 80 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.13 2yug h TYR 80 Cb -0.10 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.62 2yug h TYR 80 CO -0.00 0.05 0.00 0.41 -1.05 0.00 0.00 178.16 177.57 2yug n GLY 81 N -1.50 1.95 3.42 3.88 0.00 -0.62 -5.14 105.19 107.18 2yug n GLY 81 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.27 1.83 0.04 1.61 1.02 -1.25 -4.89 119.74 117.83 2yug s LYS 82 Ca 0.00 -1.11 -0.27 0.00 0.02 0.00 0.00 55.97 54.60 2yug s LYS 82 Cb 0.00 -2.06 -0.05 0.00 -0.52 0.00 0.00 37.83 35.20 2yug s LYS 82 CO 0.00 0.51 0.87 0.71 -0.92 0.00 0.00 175.35 176.51 2yug s TYR 83 N -0.94 3.72 -0.09 3.18 2.02 -1.26 0.83 117.35 124.81 2yug s TYR 83 Ca 0.14 1.60 -0.30 0.00 -0.37 0.00 0.00 57.07 58.14 2yug s TYR 83 Cb -0.10 -2.96 -0.04 0.00 -0.40 0.00 0.00 41.96 38.46 2yug s TYR 83 CO 0.05 0.17 1.46 -0.51 -1.57 0.00 0.00 175.55 175.15 2yug s LEU 84 N 0.31 4.26 -0.04 -1.29 1.43 0.21 -4.05 118.68 119.51 2yug s LEU 84 Ca 0.44 2.00 0.02 0.00 -1.03 0.00 0.00 54.13 55.56 2yug s LEU 84 Cb -0.21 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.48 2yug s LEU 84 CO 0.26 -0.83 -0.10 -0.83 0.23 0.00 0.00 176.35 175.08 2yug s GLY 85 N 2.59 0.61 0.05 -3.19 0.00 0.19 -4.44 107.32 103.13 2yug s GLY 85 Ca 0.64 -0.35 -0.30 0.00 0.00 0.00 0.00 44.72 44.71 2yug s GLY 85 CO 0.23 -0.03 1.10 -0.26 0.00 0.00 0.00 173.10 174.14 2yug s ILE 86 N 0.33 4.36 1.26 0.90 -4.36 -1.21 -1.78 121.20 120.69 2yug s ILE 86 Ca -0.06 1.73 -0.18 0.00 -0.26 0.00 0.00 60.65 61.87 2yug s ILE 86 Cb -0.11 -4.11 0.31 0.00 1.25 0.00 0.00 42.46 39.80 2yug s ILE 86 CO 0.01 0.15 1.02 0.21 0.24 0.00 0.00 174.94 176.57 2yug s ASN 87 N 0.90 0.34 0.23 4.36 3.84 0.65 -4.82 114.94 120.43 2yug s ASN 87 Ca 0.55 0.98 -0.08 0.00 0.21 0.00 0.00 52.86 54.52 2yug s ASN 87 Cb -0.26 -1.46 0.20 0.00 -0.55 0.00 0.00 41.25 39.18 2yug s ASN 87 CO 0.29 -4.52 1.89 -1.28 -2.79 0.00 0.00 177.10 170.70 2yug h SER 88 N -2.85 1.02 -0.08 -4.21 0.87 -1.96 -2.94 113.55 103.41 2yug h SER 88 Ca -0.50 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 59.92 2yug h SER 88 Cb 1.33 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2yug h SER 88 CO 0.39 0.75 -0.34 0.44 -0.53 0.00 0.00 176.83 177.55 2yug h ASP 89 N 1.19 0.43 0.00 6.23 5.19 -2.04 -3.47 116.42 123.95 2yug h ASP 89 Ca 0.32 -0.64 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2yug h ASP 89 Cb -0.11 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.28 2yug h ASP 89 CO -0.07 1.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.66 2yug n GLY 90 N 0.68 0.16 3.53 2.75 0.00 -1.11 -5.04 105.19 106.15 2yug n GLY 90 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 3.04 -1.16 0.99 2.96 -1.26 -1.69 118.68 121.56 2yug s LEU 91 Ca 0.00 -0.10 -0.21 0.00 -0.22 0.00 0.00 54.13 53.60 2yug s LEU 91 Cb 0.00 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 45.04 2yug s LEU 91 CO 0.00 0.31 1.75 -0.69 -1.32 0.00 0.00 176.35 176.41 2yug s VAL 92 N -0.52 3.84 0.38 1.68 1.01 -0.16 -0.25 120.40 126.36 2yug s VAL 92 Ca 0.08 -1.21 0.07 0.00 0.00 0.00 0.00 61.98 60.92 2yug s VAL 92 Cb -0.12 -4.85 -0.02 0.00 0.00 0.00 0.00 36.38 31.39 2yug s VAL 92 CO 0.02 -1.60 0.38 0.68 0.00 0.00 0.00 175.10 174.58 2yug s VAL 93 N 6.91 3.21 -0.40 2.92 -7.23 -0.74 -4.20 120.40 120.88 2yug s VAL 93 Ca 0.58 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.51 2yug s VAL 93 Cb 0.01 -3.12 0.15 0.00 0.56 0.00 0.00 36.38 33.97 2yug s VAL 93 CO 0.04 -0.09 0.26 -0.83 -0.31 0.00 0.00 175.10 174.18 2yug s GLY 94 N -4.11 1.18 -0.50 2.32 0.00 -1.26 0.52 107.32 105.46 2yug s GLY 94 Ca 0.46 -2.24 0.06 0.00 0.00 0.00 0.00 44.72 43.01 2yug s GLY 94 CO 0.28 1.97 0.67 -0.96 0.00 0.00 0.00 173.10 175.06 2yug n ARG 95 N 3.53 0.49 0.00 2.90 1.85 -1.26 -4.87 116.66 119.31 2yug n ARG 95 Ca 0.17 -2.23 0.00 0.00 -1.00 0.00 0.00 57.85 54.79 2yug n ARG 95 Cb 0.40 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.31 2yug n ARG 95 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2yug n SER 96 N 2.84 0.00 -2.57 2.89 7.64 -1.26 -5.03 113.62 118.13 2yug n SER 96 Ca 0.20 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.86 2yug n SER 96 Cb 0.55 0.30 0.01 0.00 -1.01 0.00 0.00 64.21 64.05 2yug n SER 96 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yug n ASP 97 N -2.27 -5.97 -3.67 6.43 2.03 -1.26 -4.97 116.55 106.87 2yug n ASP 97 Ca 0.00 -0.11 -0.14 0.00 0.52 0.00 0.00 54.79 55.06 2yug n ASP 97 Cb 0.00 -4.91 -0.08 0.00 -0.72 0.00 0.00 41.12 35.41 2yug n ASP 97 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yug s ALA 98 N -3.08 -1.31 -0.35 -1.67 0.00 -1.26 -4.95 121.76 109.14 2yug s ALA 98 Ca 0.10 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 2yug s ALA 98 Cb -0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 2yug s ALA 98 CO 0.12 -0.27 1.62 0.42 0.00 0.00 0.00 175.76 177.65 2yug s ILE 99 N -0.24 3.68 0.26 0.00 -1.09 -1.26 -4.89 121.20 117.66 2yug s ILE 99 Ca -0.04 0.70 0.03 0.00 -2.23 0.00 0.00 60.65 59.10 2yug s ILE 99 Cb -0.03 -3.88 -0.05 0.00 -1.58 0.00 0.00 42.46 36.91 2yug s ILE 99 CO 0.03 -0.54 0.05 -0.83 -1.23 0.00 0.00 174.94 172.42 2yug s GLY 100 N 4.99 1.73 0.17 6.18 0.00 -1.26 -5.02 107.32 114.10 2yug s GLY 100 Ca 0.71 -1.87 -0.15 0.00 0.00 0.00 0.00 44.72 43.42 2yug s GLY 100 CO 0.33 -1.67 1.70 -2.55 0.00 0.00 0.00 173.10 170.91 2yug h PRO 101 N 2.37 0.14 -0.40 2.90 0.11 -1.94 0.29 132.00 135.47 2yug h PRO 101 Ca -0.39 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 2yug h PRO 101 Cb 1.24 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2yug h PRO 101 CO 0.64 0.09 -0.03 0.00 -0.21 0.00 0.00 178.00 178.49 2yug h ARG 102 N 0.14 0.65 0.00 1.05 3.08 -1.96 -2.49 114.38 114.86 2yug h ARG 102 Ca 0.21 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2yug h ARG 102 Cb 0.29 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2yug h ARG 102 CO -0.33 0.70 -0.50 0.93 -1.07 0.00 0.00 179.97 179.70 2yug h GLU 103 N 0.61 0.00 -6.85 0.04 3.07 -1.51 -3.21 114.58 106.74 2yug h GLU 103 Ca 0.12 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.44 2yug h GLU 103 Cb 0.43 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.44 2yug h GLU 103 CO 0.02 0.50 0.76 1.04 -1.40 0.00 0.00 179.01 179.94 2yug n GLN 104 N -3.51 2.58 -4.73 2.33 6.02 0.94 -4.68 117.38 116.33 2yug n GLN 104 Ca 0.00 0.91 -0.32 0.00 -0.01 0.00 0.00 57.00 57.58 2yug n GLN 104 Cb 0.61 -2.63 -0.07 0.00 1.02 0.00 0.00 30.24 29.17 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 1.05 0.99 -3.11 1.08 7.02 -0.83 -3.43 117.44 120.21 2yug n TRP 105 Ca 0.05 -2.64 0.03 0.00 -1.02 0.00 0.00 57.50 53.92 2yug n TRP 105 Cb 0.37 -0.27 -0.00 0.00 -2.42 0.00 0.00 31.31 28.99 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 -3.85 0.51 0.44 -0.99 -6.30 -0.59 -3.52 118.70 104.41 2yug s GLU 106 Ca 0.05 0.11 -0.24 0.00 -2.50 0.00 0.00 54.97 52.39 2yug s GLU 106 Cb 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 34.13 34.19 2yug s GLU 106 CO 0.03 -0.82 1.19 -1.25 0.02 0.00 0.00 175.26 174.43 2yug s PRO 107 N 2.39 3.82 0.19 4.30 0.04 -1.26 -2.35 135.00 142.13 2yug s PRO 107 Ca 0.16 1.85 0.09 0.00 0.04 0.00 0.00 61.00 63.14 2yug s PRO 107 Cb -0.04 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 2yug s PRO 107 CO -0.17 -0.52 -0.18 0.08 0.04 0.00 0.00 177.00 176.24 2yug s VAL 108 N -1.47 1.94 -0.00 -0.36 1.01 -1.11 -4.91 120.40 115.50 2yug s VAL 108 Ca 0.62 -2.07 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 2yug s VAL 108 Cb -0.31 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.09 2yug s VAL 108 CO 0.38 -0.38 0.00 -0.36 0.00 0.00 0.00 175.10 174.74 2yug s PHE 109 N -2.31 0.00 -0.25 5.22 0.40 -1.26 -2.41 117.98 117.37 2yug s PHE 109 Ca 0.20 0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.52 2yug s PHE 109 Cb -0.05 -0.01 0.13 0.00 0.51 0.00 0.00 43.02 43.60 2yug s PHE 109 CO 0.08 -0.01 0.35 -1.14 0.70 0.00 0.00 175.22 175.21 2yug s GLN 110 N 0.06 0.34 -1.50 0.44 2.00 -0.79 -4.90 119.66 115.31 2yug s GLN 110 Ca -0.01 0.31 -0.06 0.00 -2.00 0.00 0.00 55.36 53.60 2yug s GLN 110 Cb -0.01 -0.57 0.01 0.00 0.80 0.00 0.00 33.01 33.24 2yug s GLN 110 CO -0.00 -0.78 0.79 -0.25 -0.50 0.00 0.00 175.29 174.55 2yug n ASP 111 N 5.35 -6.17 0.00 6.67 8.00 -1.26 -2.03 116.55 127.11 2yug n ASP 111 Ca -0.03 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.10 2yug n ASP 111 Cb 0.49 -4.95 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 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 -1.68 2.99 3.50 0.44 0.00 -1.26 -5.04 105.19 104.14 2yug n GLY 112 Ca -0.07 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.02 -3.64 1.61 5.02 -0.86 -4.99 118.16 113.29 2yug n LYS 113 Ca 0.00 -0.55 -0.13 0.00 -2.02 0.00 0.00 58.31 55.61 2yug n LYS 113 Cb 0.00 -2.19 -0.06 0.00 -0.02 0.00 0.00 35.03 32.76 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 -4.40 0.97 -0.30 1.97 0.23 -1.26 -1.88 119.30 114.63 2yug s MET 114 Ca 0.68 -0.36 -0.09 0.00 -1.03 0.00 0.00 55.69 54.89 2yug s MET 114 Cb -0.24 0.43 0.14 0.00 -1.53 0.00 0.00 34.83 33.63 2yug s MET 114 CO 0.64 -0.34 0.67 0.00 -2.03 0.00 0.00 175.02 173.96 2yug s ALA 115 N -2.59 -2.15 -0.08 3.16 0.00 -1.01 -3.20 121.76 115.89 2yug s ALA 115 Ca -0.05 2.23 -0.29 0.00 0.00 0.00 0.00 51.96 53.85 2yug s ALA 115 Cb -0.01 -1.87 -0.06 0.00 0.00 0.00 0.00 23.12 21.18 2yug s ALA 115 CO -0.03 -1.00 1.82 -1.17 0.00 0.00 0.00 175.76 175.38 2yug s LEU 116 N 2.86 4.16 -0.19 0.00 2.96 -1.26 -2.76 118.68 124.45 2yug s LEU 116 Ca -0.01 2.21 -0.09 0.00 -0.22 0.00 0.00 54.13 56.01 2yug s LEU 116 Cb -0.12 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 2yug s LEU 116 CO -0.19 -1.17 0.13 -0.22 -1.32 0.00 0.00 176.35 173.58 2yug s LEU 117 N 4.96 4.21 0.78 -0.68 2.96 -0.99 -2.76 118.68 127.16 2yug s LEU 117 Ca 0.81 0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 54.88 2yug s LEU 117 Cb -0.35 -2.08 0.09 0.00 0.50 0.00 0.00 46.19 44.35 2yug s LEU 117 CO 0.34 0.21 1.13 0.00 -1.32 0.00 0.00 176.35 176.71 2yug s ALA 118 N 0.15 2.83 -0.73 5.97 0.00 -0.16 -1.54 121.76 128.28 2yug s ALA 118 Ca 0.09 -0.85 0.16 0.00 0.00 0.00 0.00 51.96 51.36 2yug s ALA 118 Cb -0.11 -2.77 0.72 0.00 0.00 0.00 0.00 23.12 20.96 2yug s ALA 118 CO -0.01 -1.61 1.51 0.45 0.00 0.00 0.00 175.76 176.09 2yug n SER 119 N -3.20 0.29 -1.60 0.00 2.88 -1.22 -2.11 113.62 108.65 2yug n SER 119 Ca 0.09 0.59 -0.01 0.00 -1.33 0.00 0.00 58.87 58.21 2yug n SER 119 Cb 0.61 -0.64 0.25 0.00 -0.75 0.00 0.00 64.21 63.67 2yug n SER 119 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2yug n ASN 120 N -1.84 4.15 -2.72 -3.46 5.15 -1.26 -4.88 115.26 110.40 2yug n ASN 120 Ca 0.02 -2.79 -0.19 0.00 -0.60 0.00 0.00 54.58 51.01 2yug n ASN 120 Cb 0.15 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 2yug n ASN 120 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2yug n SER 121 N 0.14 -5.05 -3.84 1.20 2.88 -0.90 -4.96 113.62 103.10 2yug n SER 121 Ca 0.26 -0.08 -0.16 0.00 -1.33 0.00 0.00 58.87 57.56 2yug n SER 121 Cb 1.04 -4.18 -0.16 0.00 -0.75 0.00 0.00 64.21 60.16 2yug n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yug n PHE 123 N 3.84 -3.90 -4.38 0.00 3.72 -1.22 -0.99 117.46 114.53 2yug n PHE 123 Ca -0.23 -0.97 -0.32 0.00 -0.05 0.00 0.00 57.45 55.88 2yug n PHE 123 Cb 0.53 -1.19 -0.10 0.00 -0.94 0.00 0.00 39.48 37.78 2yug n PHE 123 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2yug s ILE 124 N -2.80 3.67 -0.15 4.37 -4.36 -1.11 -0.20 121.20 120.61 2yug s ILE 124 Ca 0.71 -0.86 -0.22 0.00 -0.26 0.00 0.00 60.65 60.02 2yug s ILE 124 Cb -0.08 -2.63 0.06 0.00 1.25 0.00 0.00 42.46 41.06 2yug s ILE 124 CO 0.56 0.32 0.58 -0.60 0.24 0.00 0.00 174.94 176.04 2yug s ARG 125 N -1.63 0.78 0.29 0.37 3.52 -0.50 -4.70 118.95 117.08 2yug s ARG 125 Ca 0.19 0.56 -0.03 0.00 -0.13 0.00 0.00 55.73 56.32 2yug s ARG 125 Cb -0.11 0.37 -0.04 0.00 -1.56 0.00 0.00 34.95 33.61 2yug s ARG 125 CO 0.10 -0.16 0.53 0.00 -0.81 0.00 0.00 175.30 174.96 2yug s ASN 127 N -3.44 4.96 -0.00 0.00 0.01 -1.07 -4.97 114.94 110.44 2yug s ASN 127 Ca 0.42 -0.94 0.08 0.00 -0.71 0.00 0.00 52.86 51.71 2yug s ASN 127 Cb -0.10 0.08 -0.23 0.00 0.41 0.00 0.00 41.25 41.40 2yug s ASN 127 CO 0.32 -1.07 0.82 -0.33 -1.51 0.00 0.00 177.10 175.34 2yug h GLU 128 N 0.60 0.06 -0.10 -0.60 4.39 -2.00 -3.35 114.58 113.58 2yug h GLU 128 Ca -0.36 -0.09 -0.17 0.00 0.34 0.00 0.00 59.36 59.08 2yug h GLU 128 Cb 1.29 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 2yug h GLU 128 CO 0.51 0.75 -0.64 0.00 -1.16 0.00 0.00 179.01 178.47 2yug h ALA 129 N 0.86 0.70 0.00 3.43 0.00 -2.04 -3.47 119.26 118.74 2yug h ALA 129 Ca -0.22 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2yug h ALA 129 Cb 1.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2yug h ALA 129 CO 0.10 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.50 2yug n GLY 130 N 0.39 0.79 2.68 0.00 0.00 -1.26 -5.03 105.19 102.76 2yug n GLY 130 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.60 2.65 -0.42 1.61 1.11 -1.26 -4.60 116.67 115.16 2yug s ASP 131 Ca 0.00 -0.72 -0.22 0.00 0.18 0.00 0.00 52.55 51.79 2yug s ASP 131 Cb 0.00 -0.44 0.02 0.00 1.07 0.00 0.00 42.92 43.57 2yug s ASP 131 CO 0.00 -0.32 0.73 -0.63 1.18 0.00 0.00 175.17 176.13 2yug s ILE 132 N 1.98 4.74 0.32 0.77 1.01 -1.16 -2.59 121.20 126.26 2yug s ILE 132 Ca 0.00 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.14 2yug s ILE 132 Cb -0.17 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2yug s ILE 132 CO -0.08 -0.58 0.13 -1.83 0.00 0.00 0.00 174.94 172.57 2yug s GLU 133 N 3.07 1.63 -0.26 2.79 -1.05 -0.96 -0.99 118.70 122.93 2yug s GLU 133 Ca 0.28 -1.93 -0.27 0.00 -0.15 0.00 0.00 54.97 52.89 2yug s GLU 133 Cb -0.13 -0.32 0.01 0.00 -0.44 0.00 0.00 34.13 33.25 2yug s GLU 133 CO 0.20 -0.39 0.97 0.00 0.95 0.00 0.00 175.26 176.98 2yug s ALA 134 N -3.52 3.63 0.90 -0.84 0.00 -0.68 -1.41 121.76 119.83 2yug s ALA 134 Ca 0.34 -0.00 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 2yug s ALA 134 Cb 0.06 -3.48 0.13 0.00 0.00 0.00 0.00 23.12 19.83 2yug s ALA 134 CO 0.16 -1.11 1.11 0.21 0.00 0.00 0.00 175.76 176.12 2yug s LYS 135 N 3.17 1.23 1.23 0.00 2.47 0.73 -4.89 119.74 123.68 2yug s LYS 135 Ca 0.41 0.55 -0.16 0.00 -1.56 0.00 0.00 55.97 55.21 2yug s LYS 135 Cb -0.14 -1.83 0.28 0.00 -1.46 0.00 0.00 37.83 34.68 2yug s LYS 135 CO 0.09 -2.19 0.80 0.09 0.16 0.00 0.00 175.35 174.30 2yug n ASN 136 N -3.81 -2.35 0.02 1.43 4.13 -1.26 -3.40 115.26 110.02 2yug n ASN 136 Ca 0.06 -0.30 0.05 0.00 1.68 0.00 0.00 54.58 56.07 2yug n ASN 136 Cb 0.57 -1.15 0.46 0.00 -1.54 0.00 0.00 39.78 38.12 2yug n ASN 136 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2yug h LYS 137 N -2.79 0.46 -6.30 3.52 1.57 -1.96 -3.37 116.57 107.71 2yug h LYS 137 Ca -0.58 -0.03 -0.54 0.00 -1.87 0.00 0.00 60.65 57.63 2yug h LYS 137 Cb 1.33 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2yug h LYS 137 CO 0.44 0.31 1.14 0.95 -0.57 0.00 0.00 179.45 181.71 2yug s THR 138 N -5.44 3.39 -0.32 -0.16 -4.23 -1.26 -4.83 115.64 102.79 2yug s THR 138 Ca -0.08 0.47 -0.19 0.00 -1.18 0.00 0.00 61.69 60.71 2yug s THR 138 Cb 0.18 -3.30 -0.01 0.00 1.34 0.00 0.00 72.50 70.70 2yug s THR 138 CO 0.73 -0.04 0.56 0.00 -0.54 0.00 0.00 174.62 175.32 2yug s ALA 139 N 4.18 3.51 0.61 3.99 0.00 -1.26 -5.01 121.76 127.77 2yug s ALA 139 Ca 0.79 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.98 2yug s ALA 139 Cb -0.37 -3.03 0.08 0.00 0.00 0.00 0.00 23.12 19.81 2yug s ALA 139 CO 0.34 -1.09 0.84 0.20 0.00 0.00 0.00 175.76 176.04 2yug s GLY 140 N 1.69 1.79 0.29 0.00 0.00 -1.26 -4.97 107.32 104.86 2yug s GLY 140 Ca 0.22 -1.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.19 2yug s GLY 140 CO 0.12 -1.31 1.85 -2.09 0.00 0.00 0.00 173.10 171.67 2yug h GLU 141 N -0.06 0.85 -0.04 2.90 4.81 -1.98 -2.48 114.58 118.58 2yug h GLU 141 Ca -0.36 -0.15 -0.16 0.00 -0.13 0.00 0.00 59.36 58.55 2yug h GLU 141 Cb 1.28 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2yug h GLU 141 CO 0.44 0.73 -0.71 0.93 -0.73 0.00 0.00 179.01 179.67 2yug h GLU 142 N 0.82 0.21 0.00 1.92 5.08 -1.97 -3.02 114.58 117.62 2yug h GLU 142 Ca 0.19 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2yug h GLU 142 Cb 0.23 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2yug h GLU 142 CO -0.01 0.83 -0.01 0.93 -1.00 0.00 0.00 179.01 179.75 2yug h GLU 143 N 0.14 0.00 -6.30 2.33 5.08 -1.80 -3.43 114.58 110.60 2yug h GLU 143 Ca -0.02 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.73 2yug h GLU 143 Cb 1.25 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.53 2yug h GLU 143 CO 0.11 0.01 1.09 -1.33 -1.00 0.00 0.00 179.01 177.89 2yug n MET 144 N -3.94 2.24 -3.98 2.33 2.81 -1.14 -4.91 117.12 110.52 2yug n MET 144 Ca -0.03 0.82 -0.22 0.00 -1.81 0.00 0.00 57.70 56.46 2yug n MET 144 Cb 0.10 -2.67 -0.05 0.00 -0.71 0.00 0.00 33.22 29.89 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 3.88 3.37 -0.51 2.02 -4.36 -1.19 -4.90 121.20 119.51 2yug s ILE 145 Ca 0.91 -1.54 0.03 0.00 -0.26 0.00 0.00 60.65 59.79 2yug s ILE 145 Cb -0.67 -3.09 0.14 0.00 1.25 0.00 0.00 42.46 40.09 2yug s ILE 145 CO 0.50 -0.20 0.29 -0.54 0.24 0.00 0.00 174.94 175.23 2yug s LYS 146 N -3.90 1.70 -0.80 0.37 1.02 -1.24 -4.54 119.74 112.34 2yug s LYS 146 Ca 0.38 -2.43 -0.25 0.00 0.02 0.00 0.00 55.97 53.69 2yug s LYS 146 Cb -0.04 -2.82 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 2yug s LYS 146 CO 0.24 -1.17 1.97 0.42 -0.92 0.00 0.00 175.35 175.89 2yug s ILE 147 N -0.16 3.38 0.29 2.17 1.01 -1.26 -3.61 121.20 123.01 2yug s ILE 147 Ca 0.19 -0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.50 2yug s ILE 147 Cb -0.21 -3.88 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 2yug s ILE 147 CO -0.03 -0.84 0.74 -0.13 0.00 0.00 0.00 174.94 174.68 2yug s ARG 148 N 7.20 4.10 0.11 2.79 0.52 0.11 -2.12 118.95 131.65 2yug s ARG 148 Ca 0.72 0.75 0.07 0.00 -0.52 0.00 0.00 55.73 56.76 2yug s ARG 148 Cb -0.09 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 2yug s ARG 148 CO 0.07 0.24 -0.18 0.45 0.02 0.00 0.00 175.30 175.89 2yug s SER 149 N -2.04 2.30 -0.30 0.23 0.15 0.26 0.26 113.70 114.56 2yug s SER 149 Ca 0.50 -0.71 0.08 0.00 0.70 0.00 0.00 55.95 56.51 2yug s SER 149 Cb -0.13 -0.11 0.46 0.00 -1.71 0.00 0.00 66.02 64.53 2yug s SER 149 CO 0.19 -0.01 1.30 0.00 1.20 0.00 0.00 173.24 175.91 2yug s ALA 151 N -3.48 3.91 -0.16 0.00 0.00 -1.26 -4.99 121.76 115.77 2yug s ALA 151 Ca 0.48 -1.52 -0.27 0.00 0.00 0.00 0.00 51.96 50.65 2yug s ALA 151 Cb 0.41 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 2yug s ALA 151 CO 0.00 -0.97 0.89 -1.21 0.00 0.00 0.00 175.76 174.48 2yug s GLU 152 N -4.86 4.32 0.41 0.00 8.01 -1.26 -4.99 118.70 120.33 2yug s GLU 152 Ca 0.60 1.13 0.00 0.00 0.01 0.00 0.00 54.97 56.72 2yug s GLU 152 Cb -0.08 -3.58 -0.02 0.00 -4.31 0.00 0.00 34.13 26.14 2yug s GLU 152 CO 0.40 -0.36 0.63 1.03 0.01 0.00 0.00 175.26 176.97 2yug s ARG 153 N 2.24 3.24 -0.27 1.61 0.52 -1.26 -5.09 118.95 119.94 2yug s ARG 153 Ca 0.41 -0.41 -0.05 0.00 -0.52 0.00 0.00 55.73 55.16 2yug s ARG 153 Cb -0.17 -2.59 0.01 0.00 0.52 0.00 0.00 34.95 32.72 2yug s ARG 153 CO 0.13 -0.11 0.03 -2.00 0.02 0.00 0.00 175.30 173.37 2yug s GLU 154 N -4.47 3.05 0.00 3.54 2.12 -1.26 -5.32 118.70 116.36 2yug s GLU 154 Ca 0.45 -0.87 0.31 0.00 0.36 0.00 0.00 54.97 55.22 2yug s GLU 154 Cb -0.10 -3.23 1.63 0.00 0.26 0.00 0.00 34.13 32.69 2yug s GLU 154 CO 0.37 -0.41 2.07 2.41 -0.54 0.00 0.00 175.26 179.17