#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuy n SER 2 N 0.00 -6.10 -3.60 1.61 2.88 -1.26 -5.05 113.62 102.10 2yuy n SER 2 Ca 0.00 1.18 -0.04 0.00 -1.33 0.00 0.00 58.87 58.68 2yuy n SER 2 Cb 0.00 -4.28 -0.02 0.00 -0.75 0.00 0.00 64.21 59.16 2yuy n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yuy s SER 3 N -1.18 -0.13 0.04 -3.46 1.04 -1.26 -5.19 113.70 103.57 2yuy s SER 3 Ca -0.06 -0.02 -0.26 0.00 0.48 0.00 0.00 55.95 56.09 2yuy s SER 3 Cb 0.00 0.15 0.09 0.00 0.10 0.00 0.00 66.02 66.36 2yuy s SER 3 CO 0.57 -0.24 1.21 -0.83 0.98 0.00 0.00 173.24 174.93 2yuy s GLY 4 N -2.26 -0.05 0.05 7.32 0.00 -1.26 -5.19 107.32 105.93 2yuy s GLY 4 Ca 0.10 -0.09 -0.28 0.00 0.00 0.00 0.00 44.72 44.45 2yuy s GLY 4 CO -0.05 4.75 1.12 -0.56 0.00 0.00 0.00 173.10 178.36 2yuy s SER 5 N -3.70 -0.13 0.16 1.64 0.01 -1.26 -5.18 113.70 105.23 2yuy s SER 5 Ca 0.27 -0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.34 2yuy s SER 5 Cb -0.01 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 2yuy s SER 5 CO 0.01 -0.58 -0.09 -0.55 0.41 0.00 0.00 173.24 172.44 2yuy s SER 6 N -2.88 1.79 0.00 2.44 0.15 -1.26 -5.09 113.70 108.85 2yuy s SER 6 Ca 0.12 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.74 2yuy s SER 6 Cb 0.01 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 2yuy s SER 6 CO -0.02 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2yuy n GLY 7 N -0.22 2.12 0.00 9.45 0.00 -1.26 -5.04 105.19 110.23 2yuy n GLY 7 Ca -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2yuy n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 8 N 0.00 3.03 0.00 -0.02 0.00 -1.26 -5.10 105.19 101.85 2yuy n GLY 8 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2yuy n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yuy n PRO 9 N 0.00 0.21 -4.35 1.61 -0.04 -1.26 -5.02 135.00 126.15 2yuy n PRO 9 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 2yuy n PRO 9 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 2yuy n PRO 9 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2yuy s LYS 10 N -1.59 0.79 -0.01 0.54 2.47 -0.68 -4.95 119.74 116.31 2yuy s LYS 10 Ca 0.00 -0.49 0.05 0.00 -1.56 0.00 0.00 55.97 53.97 2yuy s LYS 10 Cb 0.00 -0.75 -0.01 0.00 -1.46 0.00 0.00 37.83 35.61 2yuy s LYS 10 CO 0.00 0.20 -0.16 0.99 0.16 0.00 0.00 175.35 176.54 2yuy s THR 11 N -0.50 1.23 -0.08 3.43 2.01 -1.26 -1.75 115.64 118.72 2yuy s THR 11 Ca 0.02 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 2yuy s THR 11 Cb -0.05 -1.03 0.05 0.00 0.01 0.00 0.00 72.50 71.47 2yuy s THR 11 CO 0.00 0.35 0.16 0.68 -0.69 0.00 0.00 174.62 175.12 2yuy s VAL 12 N -0.35 -0.21 0.26 3.82 -7.23 -0.87 -4.98 120.40 110.85 2yuy s VAL 12 Ca 0.06 0.30 0.01 0.00 -1.81 0.00 0.00 61.98 60.54 2yuy s VAL 12 Cb -0.06 -0.29 -0.04 0.00 0.56 0.00 0.00 36.38 36.55 2yuy s VAL 12 CO -0.00 0.13 0.43 -0.89 -0.31 0.00 0.00 175.10 174.45 2yuy s THR 13 N 1.99 5.19 0.13 5.32 2.01 -1.26 0.29 115.64 129.31 2yuy s THR 13 Ca -0.00 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 2yuy s THR 13 Cb -0.12 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 2yuy s THR 13 CO -0.06 -0.35 0.17 -0.76 -0.69 0.00 0.00 174.62 172.93 2yuy s LEU 14 N -3.86 1.42 -0.09 4.42 1.02 0.18 -4.46 118.68 117.31 2yuy s LEU 14 Ca 0.38 -0.96 0.03 0.00 0.02 0.00 0.00 54.13 53.60 2yuy s LEU 14 Cb -0.10 0.79 0.01 0.00 0.02 0.00 0.00 46.19 46.91 2yuy s LEU 14 CO 0.31 -0.79 -0.19 -0.54 0.02 0.00 0.00 176.35 175.17 2yuy s LYS 15 N -3.97 2.45 -0.41 1.70 1.02 -1.26 0.06 119.74 119.33 2yuy s LYS 15 Ca 0.17 -0.67 -0.41 0.00 0.02 0.00 0.00 55.97 55.08 2yuy s LYS 15 Cb 0.05 -1.91 -0.16 0.00 -0.52 0.00 0.00 37.83 35.29 2yuy s LYS 15 CO -0.02 0.10 2.06 -2.13 -0.92 0.00 0.00 175.35 174.45 2yuy n ARG 16 N 3.67 0.55 -2.03 1.68 0.63 0.97 -4.81 116.66 117.32 2yuy n ARG 16 Ca -0.21 0.17 -0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2yuy n ARG 16 Cb 0.52 -1.93 -0.00 0.00 0.45 0.00 0.00 32.46 31.50 2yuy n ARG 16 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2yuy n THR 17 N 6.29 0.00 -0.14 5.15 -2.24 -1.26 -5.00 114.28 117.08 2yuy n THR 17 Ca 0.44 -0.03 -0.07 0.00 -2.27 0.00 0.00 64.05 62.12 2yuy n THR 17 Cb 0.08 0.01 0.07 0.00 -2.10 0.00 0.00 70.33 68.39 2yuy n THR 17 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2yuy n SER 18 N -1.75 -2.05 -4.49 3.42 7.64 -1.26 -4.56 113.62 110.58 2yuy n SER 18 Ca -0.00 -0.20 -0.43 0.00 1.01 0.00 0.00 58.87 59.25 2yuy n SER 18 Cb 0.01 -0.29 -0.09 0.00 -1.01 0.00 0.00 64.21 62.83 2yuy n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yuy n GLN 19 N -1.80 0.61 0.00 1.43 6.02 -1.26 -4.36 117.38 118.02 2yuy n GLN 19 Ca 0.03 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2yuy n GLN 19 Cb 0.14 -2.37 0.00 0.00 1.02 0.00 0.00 30.24 29.03 2yuy n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yuy n GLY 20 N 6.41 1.89 2.01 1.08 0.00 -1.26 -4.83 105.19 110.48 2yuy n GLY 20 Ca 0.50 -1.49 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 2yuy n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2yuy n PHE 21 N 2.40 1.69 -0.90 1.61 3.01 -1.26 -4.66 117.46 119.35 2yuy n PHE 21 Ca 0.00 -2.06 0.00 0.00 1.01 0.00 0.00 57.45 56.40 2yuy n PHE 21 Cb 0.00 -1.06 0.00 0.00 -0.01 0.00 0.00 39.48 38.41 2yuy n PHE 21 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2yuy n GLY 22 N 0.31 0.53 3.74 1.37 0.00 -1.26 -0.61 105.19 109.27 2yuy n GLY 22 Ca 0.35 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 2yuy n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yuy s PHE 23 N -2.00 -0.10 0.11 1.61 -0.71 -1.26 0.13 117.98 115.75 2yuy s PHE 23 Ca 0.00 -0.17 -0.06 0.00 -1.04 0.00 0.00 56.93 55.65 2yuy s PHE 23 Cb 0.00 0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 42.42 2yuy s PHE 23 CO 0.00 -0.74 0.16 -0.08 -1.34 0.00 0.00 175.22 173.22 2yuy s THR 24 N -3.09 0.13 0.56 -4.49 -1.32 -0.94 -4.79 115.64 101.70 2yuy s THR 24 Ca 0.13 -1.45 0.05 0.00 -1.21 0.00 0.00 61.69 59.21 2yuy s THR 24 Cb -0.00 -1.61 0.05 0.00 -1.51 0.00 0.00 72.50 69.42 2yuy s THR 24 CO 0.01 -0.59 0.42 -0.76 -2.21 0.00 0.00 174.62 171.49 2yuy s LEU 25 N -2.93 2.65 0.33 9.08 2.01 -1.26 0.11 118.68 128.67 2yuy s LEU 25 Ca 0.11 -1.28 -0.07 0.00 0.01 0.00 0.00 54.13 52.91 2yuy s LEU 25 Cb 0.05 -1.14 0.01 0.00 0.01 0.00 0.00 46.19 45.13 2yuy s LEU 25 CO -0.06 -1.16 0.51 -0.60 1.01 0.00 0.00 176.35 176.06 2yuy s ARG 26 N -4.31 1.87 0.12 1.70 6.06 -1.22 -4.53 118.95 118.64 2yuy s ARG 26 Ca 0.33 -1.60 0.00 0.00 -2.50 0.00 0.00 55.73 51.96 2yuy s ARG 26 Cb -0.02 0.47 0.00 0.00 0.06 0.00 0.00 34.95 35.46 2yuy s ARG 26 CO 0.21 -0.79 0.00 1.58 -2.50 0.00 0.00 175.30 173.80 2yuy n HIS 27 N -0.52 -3.00 -1.78 5.12 -0.00 -1.26 -4.61 115.22 109.18 2yuy n HIS 27 Ca -0.01 1.81 0.06 0.00 -0.00 0.00 0.00 57.72 59.57 2yuy n HIS 27 Cb 0.61 -3.03 0.15 0.00 -0.00 0.00 0.00 29.99 27.72 2yuy n HIS 27 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2yuy n PHE 28 N 1.14 0.00 -2.19 1.57 -0.00 -1.26 -4.98 117.46 111.75 2yuy n PHE 28 Ca 0.00 -1.15 -0.31 0.00 -0.00 0.00 0.00 57.45 55.99 2yuy n PHE 28 Cb 0.00 -0.21 -0.05 0.00 -0.00 0.00 0.00 39.48 39.23 2yuy n PHE 28 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 2yuy s ILE 29 N -2.31 3.61 0.48 -2.13 1.01 -1.26 -4.93 121.20 115.67 2yuy s ILE 29 Ca 0.35 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.38 2yuy s ILE 29 Cb 0.35 -4.41 0.02 0.00 0.01 0.00 0.00 42.46 38.44 2yuy s ILE 29 CO -0.08 -1.22 0.67 0.68 0.00 0.00 0.00 174.94 174.99 2yuy s VAL 30 N 8.88 2.94 -0.43 2.92 -7.23 -1.26 -4.57 120.40 121.64 2yuy s VAL 30 Ca 0.64 -0.81 0.08 0.00 -1.81 0.00 0.00 61.98 60.08 2yuy s VAL 30 Cb -0.03 -3.04 0.33 0.00 0.56 0.00 0.00 36.38 34.19 2yuy s VAL 30 CO 0.01 -0.02 1.00 -1.22 -0.31 0.00 0.00 175.10 174.55 2yuy n TYR 31 N -2.09 -1.96 -1.55 2.82 4.02 -1.26 -5.11 117.16 112.02 2yuy n TYR 31 Ca 0.07 -2.64 -0.30 0.00 -0.01 0.00 0.00 57.90 55.03 2yuy n TYR 31 Cb 0.59 1.02 0.10 0.00 -0.02 0.00 0.00 39.34 41.03 2yuy n TYR 31 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2yuy s PRO 32 N -0.54 1.96 0.00 -0.72 0.04 -1.26 -5.07 135.00 129.40 2yuy s PRO 32 Ca 0.27 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2yuy s PRO 32 Cb 0.31 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.94 2yuy s PRO 32 CO -0.06 -1.70 0.00 -0.35 0.04 0.00 0.00 177.00 174.93 2yuy n PRO 33 N -3.48 -0.03 0.03 0.56 -0.04 -1.26 -5.02 135.00 125.77 2yuy n PRO 33 Ca 0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 2yuy n PRO 33 Cb 0.57 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.01 2yuy n PRO 33 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2yuy h GLU 34 N 0.00 -0.18 0.00 0.54 3.07 -2.06 -3.46 114.58 112.50 2yuy h GLU 34 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2yuy h GLU 34 Cb 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 2yuy h GLU 34 CO 0.00 -0.12 -0.15 0.45 -1.40 0.00 0.00 179.01 177.79 2yuy n SER 35 N -4.67 0.49 -1.19 1.42 2.88 -1.26 -5.15 113.62 106.15 2yuy n SER 35 Ca -0.02 0.21 0.15 0.00 -1.33 0.00 0.00 58.87 57.87 2yuy n SER 35 Cb 0.07 -0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 63.44 2yuy n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yuy n ALA 36 N -3.34 -3.38 -2.43 -1.46 0.00 -1.26 -4.71 120.51 103.94 2yuy n ALA 36 Ca 0.00 0.47 -0.39 0.00 0.00 0.00 0.00 53.44 53.52 2yuy n ALA 36 Cb 0.08 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 2yuy n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2yuy s ILE 37 N -2.73 4.83 0.18 0.00 1.01 -1.26 -4.97 121.20 118.26 2yuy s ILE 37 Ca 0.00 1.37 -0.14 0.00 0.00 0.00 0.00 60.65 61.87 2yuy s ILE 37 Cb 0.00 -3.99 0.11 0.00 0.01 0.00 0.00 42.46 38.59 2yuy s ILE 37 CO 0.00 0.41 1.69 -0.61 0.00 0.00 0.00 174.94 176.43 2yuy h GLN 38 N 5.54 0.11 -1.20 2.79 5.75 -2.06 -3.46 115.11 122.59 2yuy h GLN 38 Ca -0.45 -0.01 0.28 0.00 -0.15 0.00 0.00 58.65 58.32 2yuy h GLN 38 Cb 1.20 -0.03 -0.22 0.00 1.07 0.00 0.00 27.48 29.51 2yuy h GLN 38 CO 0.69 0.08 0.91 0.12 -2.65 0.00 0.00 178.83 177.98 2yuy s PHE 39 N -6.17 -0.06 -0.32 3.99 5.36 -1.26 -5.14 117.98 114.38 2yuy s PHE 39 Ca -0.13 0.06 -0.05 0.00 -0.96 0.00 0.00 56.93 55.85 2yuy s PHE 39 Cb 0.15 0.50 0.19 0.00 -0.34 0.00 0.00 43.02 43.52 2yuy s PHE 39 CO 0.72 -0.09 0.90 -1.54 -1.46 0.00 0.00 175.22 173.74 2yuy s SER 40 N -1.84 -0.80 -0.15 6.13 1.04 -1.26 -5.16 113.70 111.65 2yuy s SER 40 Ca 0.10 -0.09 -0.30 0.00 0.48 0.00 0.00 55.95 56.14 2yuy s SER 40 Cb -0.01 1.31 0.13 0.00 0.10 0.00 0.00 66.02 67.55 2yuy s SER 40 CO -0.04 -0.12 1.02 -0.47 0.98 0.00 0.00 173.24 174.60 2yuy s TYR 41 N 2.53 -0.34 0.50 5.02 5.04 -1.26 -5.08 117.35 123.76 2yuy s TYR 41 Ca 0.19 0.53 -0.07 0.00 -2.44 0.00 0.00 57.07 55.29 2yuy s TYR 41 Cb -0.03 0.46 0.11 0.00 0.35 0.00 0.00 41.96 42.86 2yuy s TYR 41 CO -0.19 -0.34 0.68 1.63 -1.34 0.00 0.00 175.55 176.00 2yuy n LYS 42 N 0.59 -0.50 0.00 4.97 4.01 -1.26 -5.07 118.16 120.91 2yuy n LYS 42 Ca -0.09 -1.20 -0.03 0.00 -0.51 0.00 0.00 58.31 56.48 2yuy n LYS 42 Cb 0.58 -0.66 -0.01 0.00 -0.51 0.00 0.00 35.03 34.44 2yuy n LYS 42 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2yuy n ASP 43 N -3.35 1.22 0.00 4.39 -0.08 -1.26 -5.02 116.55 112.45 2yuy n ASP 43 Ca 0.09 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 2yuy n ASP 43 Cb 0.32 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.34 2yuy n ASP 43 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2yuy n GLU 44 N -3.66 0.00 -1.64 -0.67 4.07 -1.26 -5.01 120.64 112.48 2yuy n GLU 44 Ca -0.04 0.00 -0.48 0.00 -0.06 0.00 0.00 57.16 56.58 2yuy n GLU 44 Cb 0.15 -0.12 -0.05 0.00 -0.06 0.00 0.00 31.44 31.36 2yuy n GLU 44 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2yuy n GLU 45 N -1.90 1.74 -1.44 5.31 0.28 -1.26 -4.59 120.64 118.78 2yuy n GLU 45 Ca 0.00 0.63 0.18 0.00 -0.16 0.00 0.00 57.16 57.81 2yuy n GLU 45 Cb 0.00 -2.32 -0.07 0.00 1.43 0.00 0.00 31.44 30.48 2yuy n GLU 45 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2yuy n ASN 46 N 2.87 -8.55 0.00 -1.84 4.13 -1.26 -4.77 115.26 105.84 2yuy n ASN 46 Ca 0.17 1.02 0.00 0.00 1.68 0.00 0.00 54.58 57.45 2yuy n ASN 46 Cb 0.26 -4.66 0.00 0.00 -1.54 0.00 0.00 39.78 33.83 2yuy n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yuy n GLY 47 N -4.27 1.12 0.00 7.41 0.00 -1.26 -4.68 105.19 103.51 2yuy n GLY 47 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2yuy n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yuy n ASN 48 N 0.00 0.00 -4.30 1.61 5.15 -1.26 -5.13 115.26 111.33 2yuy n ASN 48 Ca 0.00 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.81 2yuy n ASN 48 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 2yuy n ASN 48 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2yuy s ARG 49 N 0.00 1.46 -0.12 1.20 3.00 -1.26 -5.17 118.95 118.07 2yuy s ARG 49 Ca 0.00 -1.80 -0.34 0.00 0.00 0.00 0.00 55.73 53.60 2yuy s ARG 49 Cb 0.00 -0.31 0.15 0.00 0.00 0.00 0.00 34.95 34.79 2yuy s ARG 49 CO 0.00 -0.30 1.42 0.20 0.00 0.00 0.00 175.30 176.61 2yuy s GLY 50 N -3.34 -0.45 0.00 -3.53 0.00 -1.26 -5.11 107.32 93.63 2yuy s GLY 50 Ca 0.37 1.09 0.00 0.00 0.00 0.00 0.00 44.72 46.18 2yuy s GLY 50 CO 0.14 0.24 0.00 0.61 0.00 0.00 0.00 173.10 174.10 2yuy n GLY 51 N -0.42 -2.13 5.23 0.20 0.00 -1.26 -5.07 105.19 101.75 2yuy n GLY 51 Ca -0.07 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2yuy n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yuy n LYS 52 N -1.56 0.00 -1.41 1.61 4.01 -1.26 -4.90 118.16 114.64 2yuy n LYS 52 Ca 0.00 0.00 0.19 0.00 -0.51 0.00 0.00 58.31 57.99 2yuy n LYS 52 Cb 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.46 2yuy n LYS 52 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2yuy n GLN 53 N 0.00 -2.95 -1.22 1.97 6.02 -1.26 -5.00 117.38 114.93 2yuy n GLN 53 Ca 0.00 2.07 0.16 0.00 -0.01 0.00 0.00 57.00 59.22 2yuy n GLN 53 Cb 0.00 -3.56 -0.06 0.00 1.02 0.00 0.00 30.24 27.64 2yuy n GLN 53 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2yuy n ARG 54 N -4.22 -2.65 -3.84 -1.09 1.74 -1.26 -4.82 116.66 100.52 2yuy n ARG 54 Ca -0.01 1.98 -0.30 0.00 -0.77 0.00 0.00 57.85 58.74 2yuy n ARG 54 Cb 0.65 -3.16 -0.15 0.00 -1.02 0.00 0.00 32.46 28.78 2yuy n ARG 54 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2yuy s ASN 55 N -6.89 4.17 -0.30 0.55 -0.87 -1.26 -5.07 114.94 105.27 2yuy s ASN 55 Ca 0.00 -1.69 -0.26 0.00 -1.57 0.00 0.00 52.86 49.34 2yuy s ASN 55 Cb 0.00 -1.11 0.19 0.00 -0.02 0.00 0.00 41.25 40.31 2yuy s ASN 55 CO 0.00 -0.38 1.45 0.00 -2.57 0.00 0.00 177.10 175.61 2yuy s ARG 56 N 1.39 0.04 -0.21 -0.60 3.03 -1.26 -5.02 118.95 116.31 2yuy s ARG 56 Ca 0.08 0.04 0.14 0.00 2.03 0.00 0.00 55.73 58.02 2yuy s ARG 56 Cb -0.18 0.02 0.51 0.00 -1.03 0.00 0.00 34.95 34.27 2yuy s ARG 56 CO -0.17 -0.01 1.42 1.28 -1.13 0.00 0.00 175.30 176.70 2yuy n LEU 57 N 1.39 3.88 -0.92 -1.89 4.32 -1.26 -5.08 117.00 117.44 2yuy n LEU 57 Ca -0.09 -3.26 0.11 0.00 -0.02 0.00 0.00 56.01 52.76 2yuy n LEU 57 Cb 0.57 -0.57 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 2yuy n LEU 57 CO 0.02 0.86 -0.36 -0.62 -1.22 0.00 0.00 177.39 176.07 2yuy n GLU 58 N -0.78 -2.08 -0.03 3.23 -0.58 -1.26 -4.71 120.64 114.44 2yuy n GLU 58 Ca 0.25 1.64 -0.15 0.00 -0.42 0.00 0.00 57.16 58.48 2yuy n GLU 58 Cb 0.93 -2.45 -0.11 0.00 -0.57 0.00 0.00 31.44 29.24 2yuy n GLU 58 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2yuy h PRO 59 N -0.90 0.17 0.00 3.49 0.13 -1.98 -3.47 132.00 129.45 2yuy h PRO 59 Ca -0.10 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2yuy h PRO 59 Cb 0.88 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2yuy h PRO 59 CO 0.04 0.87 0.00 -1.33 -0.23 0.00 0.00 178.00 177.36 2yuy n MET 60 N -4.54 0.00 -2.34 0.86 2.81 -1.26 -5.01 117.12 107.64 2yuy n MET 60 Ca -0.09 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.65 2yuy n MET 60 Cb 0.47 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.97 2yuy n MET 60 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2yuy n ASP 61 N -3.06 -4.53 -4.93 7.83 2.03 -1.26 -4.94 116.55 107.69 2yuy n ASP 61 Ca 0.00 0.15 -0.25 0.00 0.52 0.00 0.00 54.79 55.21 2yuy n ASP 61 Cb 0.00 -3.84 0.00 0.00 -0.72 0.00 0.00 41.12 36.56 2yuy n ASP 61 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2yuy s THR 62 N -2.72 4.57 -0.58 5.18 2.01 -1.26 -4.77 115.64 118.08 2yuy s THR 62 Ca 0.00 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.79 2yuy s THR 62 Cb 0.00 -3.71 0.19 0.00 0.01 0.00 0.00 72.50 69.00 2yuy s THR 62 CO 0.00 -0.56 0.50 -0.38 -0.69 0.00 0.00 174.62 173.50 2yuy n ILE 63 N -2.08 0.74 -2.90 1.82 -0.00 -1.26 -4.92 119.36 110.77 2yuy n ILE 63 Ca -0.01 -4.45 -0.41 0.00 -0.00 0.00 0.00 62.75 57.88 2yuy n ILE 63 Cb 0.56 -2.00 -0.04 0.00 -0.00 0.00 0.00 39.64 38.16 2yuy n ILE 63 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 2yuy s PHE 64 N -1.21 3.46 -0.01 1.39 0.08 -1.26 0.66 117.98 121.08 2yuy s PHE 64 Ca 0.31 1.29 -0.35 0.00 0.12 0.00 0.00 56.93 58.30 2yuy s PHE 64 Cb 0.04 -3.00 -0.13 0.00 -0.57 0.00 0.00 43.02 39.37 2yuy s PHE 64 CO -0.14 -0.18 1.75 0.28 -0.10 0.00 0.00 175.22 176.83 2yuy n VAL 65 N 4.55 0.35 -0.01 -0.44 0.31 -0.66 -3.46 118.33 118.97 2yuy n VAL 65 Ca 0.04 -0.06 -0.08 0.00 -0.01 0.00 0.00 64.34 64.22 2yuy n VAL 65 Cb 0.49 -1.68 -0.07 0.00 -0.91 0.00 0.00 33.84 31.68 2yuy n VAL 65 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2yuy h LYS 66 N 7.83 -0.09 0.00 5.55 1.63 0.58 -3.27 116.57 128.79 2yuy h LYS 66 Ca -0.47 0.01 -0.26 0.00 -0.85 0.00 0.00 60.65 59.07 2yuy h LYS 66 Cb 1.27 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.86 2yuy h LYS 66 CO 0.92 0.36 -0.11 0.00 -3.45 0.00 0.00 179.45 177.17 2yuy n GLN 67 N -4.79 0.74 -3.49 1.90 10.64 -1.20 -4.89 117.38 116.29 2yuy n GLN 67 Ca -0.06 -2.76 -0.17 0.00 -1.83 0.00 0.00 57.00 52.18 2yuy n GLN 67 Cb 0.24 2.71 -0.12 0.00 -0.86 0.00 0.00 30.24 32.20 2yuy n GLN 67 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2yuy s VAL 68 N -2.76 -0.35 1.05 -0.39 1.01 -1.26 -2.21 120.40 115.48 2yuy s VAL 68 Ca 0.28 -0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 2yuy s VAL 68 Cb -0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2yuy s VAL 68 CO 0.20 -0.18 -0.69 1.17 0.00 0.00 0.00 175.10 175.60 2yuy n LYS 69 N 5.32 -0.90 -3.79 2.72 4.81 0.35 -4.89 118.16 121.79 2yuy n LYS 69 Ca -0.05 -0.26 -0.34 0.00 -0.87 0.00 0.00 58.31 56.79 2yuy n LYS 69 Cb 0.50 -1.35 -0.11 0.00 0.02 0.00 0.00 35.03 34.09 2yuy n LYS 69 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2yuy s GLU 70 N -2.76 2.48 0.00 1.64 -6.30 -1.26 -4.50 118.70 108.00 2yuy s GLU 70 Ca 0.44 -2.72 0.00 0.00 -2.50 0.00 0.00 54.97 50.20 2yuy s GLU 70 Cb -0.01 -3.62 0.00 0.00 0.00 0.00 0.00 34.13 30.50 2yuy s GLU 70 CO 0.63 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 175.14 2yuy n GLY 71 N 3.11 2.00 0.00 -1.50 0.00 -1.26 -5.14 105.19 102.40 2yuy n GLY 71 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2yuy n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 72 N -0.25 3.47 0.09 -0.02 0.00 -1.26 -5.01 105.19 102.21 2yuy n GLY 72 Ca 0.00 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 43.74 2yuy n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuy h PRO 73 N 0.00 0.16 -0.56 1.61 0.13 -1.88 -2.67 132.00 128.79 2yuy h PRO 73 Ca 0.00 -0.16 0.04 0.00 -0.87 0.00 0.00 66.00 65.01 2yuy h PRO 73 Cb 0.00 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.13 2yuy h PRO 73 CO 0.00 0.87 0.32 0.00 -0.23 0.00 0.00 178.00 178.96 2yuy h ALA 74 N 0.29 0.73 -0.61 -0.56 0.00 -1.08 0.89 119.26 118.93 2yuy h ALA 74 Ca -0.02 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2yuy h ALA 74 Cb 0.93 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2yuy h ALA 74 CO 0.04 0.00 0.34 0.35 0.00 0.00 0.00 179.25 179.98 2yuy h PHE 75 N 0.61 0.63 -0.02 0.00 3.57 -1.69 0.89 116.94 120.93 2yuy h PHE 75 Ca 0.24 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2yuy h PHE 75 Cb 0.10 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2yuy h PHE 75 CO -0.08 0.31 -0.04 0.93 -2.23 0.00 0.00 178.31 177.21 2yuy h GLU 76 N 0.64 0.05 -1.33 1.11 4.39 -0.98 -2.98 114.58 115.49 2yuy h GLU 76 Ca 0.27 -0.04 0.39 0.00 0.34 0.00 0.00 59.36 60.32 2yuy h GLU 76 Cb 0.14 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 2yuy h GLU 76 CO -0.16 0.62 1.14 0.00 -1.16 0.00 0.00 179.01 179.45 2yuy h ALA 77 N 0.43 3.23 0.00 3.43 0.00 0.10 -3.42 119.26 123.03 2yuy h ALA 77 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2yuy h ALA 77 Cb 0.62 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2yuy h ALA 77 CO 0.01 -1.82 0.00 0.41 0.00 0.00 0.00 179.25 177.85 2yuy n GLY 78 N -1.78 1.26 2.08 0.00 0.00 -0.94 -4.80 105.19 101.01 2yuy n GLY 78 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.13 2yuy n GLY 78 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2yuy n LEU 79 N 0.00 0.00 0.00 0.99 7.94 0.27 -5.02 117.00 121.18 2yuy n LEU 79 Ca 0.00 -0.63 0.00 0.00 -1.11 0.00 0.00 56.01 54.27 2yuy n LEU 79 Cb 0.00 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 43.33 2yuy n LEU 79 CO 0.00 -2.07 0.00 0.00 -1.11 0.00 0.00 177.39 174.21 2yuy s THR 81 N -2.09 4.81 0.00 0.00 -4.23 -1.26 -4.32 115.64 108.55 2yuy s THR 81 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 2yuy s THR 81 Cb 0.00 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2yuy s THR 81 CO 0.00 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 2yuy n GLY 82 N 3.06 2.00 3.65 3.99 0.00 -1.23 -5.03 105.19 111.62 2yuy n GLY 82 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2yuy n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yuy s ASP 83 N -0.45 6.60 0.16 1.61 1.11 -1.26 -4.64 116.67 119.80 2yuy s ASP 83 Ca 0.00 1.87 -0.07 0.00 0.18 0.00 0.00 52.55 54.53 2yuy s ASP 83 Cb 0.00 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 41.39 2yuy s ASP 83 CO 0.00 -1.04 0.44 0.00 1.18 0.00 0.00 175.17 175.75 2yuy s ARG 84 N 4.21 3.70 0.20 8.23 1.70 -1.26 -1.66 118.95 134.07 2yuy s ARG 84 Ca 0.69 0.07 -0.17 0.00 -0.47 0.00 0.00 55.73 55.85 2yuy s ARG 84 Cb -0.27 -2.80 -0.08 0.00 -0.57 0.00 0.00 34.95 31.23 2yuy s ARG 84 CO 0.27 0.43 0.65 0.42 -1.08 0.00 0.00 175.30 175.99 2yuy s ILE 85 N -1.68 4.70 0.00 4.99 -1.09 0.21 -4.21 121.20 124.12 2yuy s ILE 85 Ca 0.42 1.07 0.00 0.00 -2.23 0.00 0.00 60.65 59.91 2yuy s ILE 85 Cb -0.12 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 2yuy s ILE 85 CO 0.23 0.20 0.00 2.30 -1.23 0.00 0.00 174.94 176.44 2yuy n ILE 86 N 0.69 0.00 -4.35 2.92 -5.35 0.11 -4.21 119.36 109.18 2yuy n ILE 86 Ca -0.03 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.27 2yuy n ILE 86 Cb 0.51 -0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 37.65 2yuy n ILE 86 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2yuy s LYS 87 N -1.91 1.35 -0.07 6.28 1.02 -1.21 -3.48 119.74 121.73 2yuy s LYS 87 Ca 0.00 -1.65 -0.03 0.00 0.02 0.00 0.00 55.97 54.31 2yuy s LYS 87 Cb 0.00 -0.90 0.04 0.00 -0.52 0.00 0.00 37.83 36.45 2yuy s LYS 87 CO 0.00 0.04 0.14 0.08 -0.92 0.00 0.00 175.35 174.69 2yuy s VAL 88 N -3.17 -0.14 -0.83 3.17 1.01 -1.26 -2.43 120.40 116.75 2yuy s VAL 88 Ca 0.25 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2yuy s VAL 88 Cb 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2yuy s VAL 88 CO 0.08 0.11 0.00 0.59 0.00 0.00 0.00 175.10 175.88 2yuy n ASN 89 N 4.71 -2.64 -1.98 3.32 3.02 -0.98 0.18 115.26 120.91 2yuy n ASN 89 Ca -0.17 0.25 -0.16 0.00 -0.03 0.00 0.00 54.58 54.48 2yuy n ASN 89 Cb 0.51 -2.45 0.01 0.00 -0.61 0.00 0.00 39.78 37.23 2yuy n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yuy n GLY 90 N -0.43 -0.23 0.08 7.41 0.00 -1.26 -4.89 105.19 105.87 2yuy n GLY 90 Ca -0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 2yuy n GLY 90 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yuy n GLU 91 N -2.77 0.67 -0.58 1.61 0.00 0.49 -5.10 120.64 114.96 2yuy n GLU 91 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.01 2yuy n GLU 91 Cb 0.61 -1.56 0.00 0.00 0.00 0.00 0.00 31.44 30.49 2yuy n GLU 91 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2yuy n SER 92 N -2.68 -3.82 -2.05 4.31 7.64 -1.25 -4.66 113.62 111.12 2yuy n SER 92 Ca -0.24 0.45 -0.20 0.00 1.01 0.00 0.00 58.87 59.89 2yuy n SER 92 Cb 1.00 -1.08 0.02 0.00 -1.01 0.00 0.00 64.21 63.15 2yuy n SER 92 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2yuy n VAL 93 N -0.87 2.96 -2.22 0.44 0.24 -1.23 -4.82 118.33 112.83 2yuy n VAL 93 Ca 0.00 -2.02 -0.40 0.00 -2.04 0.00 0.00 64.34 59.88 2yuy n VAL 93 Cb 0.00 -1.37 -0.03 0.00 -1.47 0.00 0.00 33.84 30.97 2yuy n VAL 93 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2yuy s ILE 94 N -2.51 3.51 0.00 1.34 -1.09 -1.26 -2.99 121.20 118.20 2yuy s ILE 94 Ca 0.39 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 2yuy s ILE 94 Cb 0.29 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 2yuy s ILE 94 CO -0.05 -1.16 0.00 0.61 -1.23 0.00 0.00 174.94 173.11 2yuy n GLY 95 N 5.54 2.78 3.14 6.18 0.00 -1.26 -5.01 105.19 116.56 2yuy n GLY 95 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2yuy n GLY 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yuy n LYS 96 N -0.05 -0.16 -3.07 1.61 5.02 -1.16 -4.94 118.16 115.41 2yuy n LYS 96 Ca 0.00 -0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.04 2yuy n LYS 96 Cb 0.00 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 2yuy n LYS 96 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2yuy n THR 97 N -3.00 1.27 0.00 -0.18 5.66 -1.26 -5.00 114.28 111.77 2yuy n THR 97 Ca 0.01 -5.02 0.00 0.00 -3.05 0.00 0.00 64.05 55.99 2yuy n THR 97 Cb 0.57 -0.76 0.00 0.00 -1.55 0.00 0.00 70.33 68.59 2yuy n THR 97 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2yuy n TYR 98 N 0.04 0.00 -0.56 1.09 9.36 -1.26 -3.56 117.16 122.28 2yuy n TYR 98 Ca 0.28 0.00 0.43 0.00 3.32 0.00 0.00 57.90 61.93 2yuy n TYR 98 Cb 0.54 0.00 0.68 0.00 -0.63 0.00 0.00 39.34 39.93 2yuy n TYR 98 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2yuy n SER 99 N 0.72 0.06 0.28 2.98 7.64 -1.26 0.70 113.62 124.73 2yuy n SER 99 Ca 0.00 0.98 -0.11 0.00 1.01 0.00 0.00 58.87 60.74 2yuy n SER 99 Cb 0.00 -0.49 -0.05 0.00 -1.01 0.00 0.00 64.21 62.66 2yuy n SER 99 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2yuy h GLN 100 N 0.00 -0.71 -0.91 1.43 4.20 -1.95 -2.80 115.11 114.37 2yuy h GLN 100 Ca 0.81 0.05 0.16 0.00 0.06 0.00 0.00 58.65 59.73 2yuy h GLN 100 Cb 3.05 0.16 -0.08 0.00 0.30 0.00 0.00 27.48 30.92 2yuy h GLN 100 CO -0.13 -0.47 0.59 -0.39 -0.67 0.00 0.00 178.83 177.75 2yuy h VAL 101 N -0.91 0.78 -0.56 -0.54 -1.51 -0.06 0.07 116.25 113.52 2yuy h VAL 101 Ca -0.08 -0.22 0.11 0.00 -1.23 0.00 0.00 66.70 65.28 2yuy h VAL 101 Cb 0.56 0.08 -0.11 0.00 -2.13 0.00 0.00 31.29 29.70 2yuy h VAL 101 CO 0.12 0.12 -0.15 0.40 -1.23 0.00 0.00 177.57 176.83 2yuy h ILE 102 N 0.65 0.42 -0.44 7.19 1.08 -0.80 0.21 117.51 125.82 2yuy h ILE 102 Ca 0.47 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 65.01 2yuy h ILE 102 Cb 0.84 0.42 -0.06 0.00 -3.07 0.00 0.00 36.82 34.95 2yuy h ILE 102 CO -0.23 0.00 0.12 0.00 -0.69 0.00 0.00 178.15 177.35 2yuy h ALA 103 N 1.51 0.50 -0.90 1.87 0.00 -0.71 0.14 119.26 121.68 2yuy h ALA 103 Ca 0.27 0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.41 2yuy h ALA 103 Cb 0.42 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 2yuy h ALA 103 CO -0.58 -0.28 0.48 -0.07 0.00 0.00 0.00 179.25 178.80 2yuy h LEU 104 N 0.27 0.58 -0.16 0.00 3.38 -0.47 0.90 115.31 119.80 2yuy h LEU 104 Ca 0.21 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 2yuy h LEU 104 Cb 0.24 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2yuy h LEU 104 CO -0.25 0.22 -0.01 0.40 0.09 0.00 0.00 178.44 178.89 2yuy h ILE 105 N 0.64 1.26 -0.99 1.22 2.04 0.73 0.63 117.51 123.04 2yuy h ILE 105 Ca 0.50 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.51 2yuy h ILE 105 Cb 0.76 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 2yuy h ILE 105 CO -0.38 0.26 0.65 1.56 0.00 0.00 0.00 178.15 180.24 2yuy h GLN 106 N 0.03 1.27 -0.70 2.37 4.20 0.14 -0.46 115.11 121.96 2yuy h GLN 106 Ca 0.05 -0.08 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 2yuy h GLN 106 Cb 0.39 -0.29 -0.09 0.00 0.30 0.00 0.00 27.48 27.80 2yuy h GLN 106 CO 0.01 0.84 0.19 0.09 -0.67 0.00 0.00 178.83 179.29 2yuy n ASN 107 N -4.41 5.19 0.22 1.46 3.02 0.29 -4.49 115.26 116.53 2yuy n ASN 107 Ca 0.12 -3.13 0.16 0.00 -0.03 0.00 0.00 54.58 51.70 2yuy n ASN 107 Cb 0.04 -0.73 0.70 0.00 -0.61 0.00 0.00 39.78 39.17 2yuy n ASN 107 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2yuy h SER 108 N 3.14 0.00 0.00 6.41 4.64 0.20 -3.47 113.55 124.48 2yuy h SER 108 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2yuy h SER 108 Cb 2.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.34 2yuy h SER 108 CO 0.68 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.97 2yuy n ASP 109 N -3.16 0.00 -0.25 4.97 2.03 -1.26 -4.08 116.55 114.80 2yuy n ASP 109 Ca 0.03 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.23 2yuy n ASP 109 Cb 0.59 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.90 2yuy n ASP 109 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2yuy h THR 110 N 0.00 0.00 -1.58 5.18 2.02 -1.98 -3.39 112.91 113.16 2yuy h THR 110 Ca 0.00 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.58 2yuy h THR 110 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.31 2yuy h THR 110 CO 0.00 0.00 -0.54 0.42 0.37 0.00 0.00 175.52 175.77 2yuy s THR 111 N -5.24 2.14 -0.16 3.16 -4.23 -1.26 -0.02 115.64 110.04 2yuy s THR 111 Ca -0.11 -1.83 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 2yuy s THR 111 Cb 0.08 -2.97 0.05 0.00 1.34 0.00 0.00 72.50 71.00 2yuy s THR 111 CO 0.54 0.00 0.02 -0.22 -0.54 0.00 0.00 174.62 174.42 2yuy s LEU 112 N -3.83 1.00 -0.09 4.79 1.98 0.11 -4.65 118.68 118.00 2yuy s LEU 112 Ca 0.38 -0.60 -0.15 0.00 -2.89 0.00 0.00 54.13 50.87 2yuy s LEU 112 Cb 0.06 -0.55 -0.05 0.00 0.66 0.00 0.00 46.19 46.31 2yuy s LEU 112 CO 0.20 -0.27 0.38 -0.70 -1.89 0.00 0.00 176.35 174.07 2yuy s GLU 113 N 1.89 4.12 0.28 1.98 2.12 -1.26 0.47 118.70 128.29 2yuy s GLU 113 Ca 0.01 0.30 0.12 0.00 0.36 0.00 0.00 54.97 55.76 2yuy s GLU 113 Cb -0.16 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 2yuy s GLU 113 CO -0.07 0.41 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.35 2yuy s LEU 114 N -0.12 2.61 -0.07 2.70 1.43 0.14 -2.31 118.68 123.07 2yuy s LEU 114 Ca 0.22 -1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 52.30 2yuy s LEU 114 Cb -0.15 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 44.98 2yuy s LEU 114 CO 0.09 0.04 -0.02 -0.44 0.23 0.00 0.00 176.35 176.25 2yuy s SER 115 N -3.51 1.43 0.00 2.29 0.01 -1.02 -2.06 113.70 110.84 2yuy s SER 115 Ca 0.30 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2yuy s SER 115 Cb -0.05 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.71 2yuy s SER 115 CO 0.15 -0.15 0.00 1.33 0.41 0.00 0.00 173.24 174.99 2yuy n VAL 116 N 4.79 0.00 -2.70 3.43 0.24 -0.72 -0.71 118.33 122.67 2yuy n VAL 116 Ca -0.13 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.11 2yuy n VAL 116 Cb 0.50 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.96 2yuy n VAL 116 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 2yuy n MET 117 N 0.00 0.78 -1.54 7.34 0.00 -1.26 -1.68 117.12 120.76 2yuy n MET 117 Ca 0.00 -1.48 -0.29 0.00 0.00 0.00 0.00 57.70 55.93 2yuy n MET 117 Cb 0.00 -0.40 0.13 0.00 0.00 0.00 0.00 33.22 32.95 2yuy n MET 117 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2yuy s PRO 118 N 0.17 1.25 0.25 3.17 0.04 -1.26 -4.95 135.00 133.66 2yuy s PRO 118 Ca 0.19 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2yuy s PRO 118 Cb 0.29 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.98 2yuy s PRO 118 CO -0.08 -2.13 0.00 1.17 0.04 0.00 0.00 177.00 175.99 2yuy n LYS 119 N -3.73 0.00 -1.70 4.56 3.00 -1.26 -4.95 118.16 114.09 2yuy n LYS 119 Ca 0.07 0.00 -0.53 0.00 -0.00 0.00 0.00 58.31 57.84 2yuy n LYS 119 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.56 2yuy n LYS 119 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2yuy n ASP 120 N -3.28 2.88 -5.00 3.14 2.03 -1.26 -4.94 116.55 110.12 2yuy n ASP 120 Ca 0.00 1.03 -0.18 0.00 0.52 0.00 0.00 54.79 56.15 2yuy n ASP 120 Cb 0.00 -1.25 0.02 0.00 -0.72 0.00 0.00 41.12 39.17 2yuy n ASP 120 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2yuy s SER 121 N 3.74 5.40 -0.03 1.67 0.15 -1.26 -5.14 113.70 118.24 2yuy s SER 121 Ca 0.96 -0.61 -0.29 0.00 0.70 0.00 0.00 55.95 56.71 2yuy s SER 121 Cb -0.89 -0.33 0.07 0.00 -1.71 0.00 0.00 66.02 63.15 2yuy s SER 121 CO 0.59 -0.93 0.64 -0.83 1.20 0.00 0.00 173.24 173.91 2yuy s GLY 122 N -4.42 -0.55 0.34 9.45 0.00 -1.26 -5.16 107.32 105.72 2yuy s GLY 122 Ca 0.56 1.16 -0.27 0.00 0.00 0.00 0.00 44.72 46.16 2yuy s GLY 122 CO 0.34 0.81 1.07 2.56 0.00 0.00 0.00 173.10 177.88 2yuy s PRO 123 N -1.47 4.42 -0.57 2.90 0.04 -1.26 -5.00 135.00 134.06 2yuy s PRO 123 Ca -0.10 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.40 2yuy s PRO 123 Cb -0.00 -2.88 0.09 0.00 0.04 0.00 0.00 34.50 31.74 2yuy s PRO 123 CO 0.07 0.05 0.69 -1.12 0.04 0.00 0.00 177.00 176.73 2yuy s SER 124 N -1.22 6.19 0.89 6.66 0.01 -1.26 -5.04 113.70 119.93 2yuy s SER 124 Ca 0.51 -1.27 -0.12 0.00 1.31 0.00 0.00 55.95 56.38 2yuy s SER 124 Cb -0.27 -2.30 0.12 0.00 0.21 0.00 0.00 66.02 63.78 2yuy s SER 124 CO 0.34 -1.06 1.11 -0.94 0.41 0.00 0.00 173.24 173.11 2yuy s SER 125 N 3.35 3.65 0.00 2.44 1.04 -1.26 -5.39 113.70 117.53 2yuy s SER 125 Ca 0.13 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.74 2yuy s SER 125 Cb -0.22 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2yuy s SER 125 CO 0.08 -2.49 0.00 0.61 0.98 0.00 0.00 173.24 172.42