#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 -6.77 -4.19 1.61 7.64 -1.26 -4.99 113.62 105.66 2yuy n SER 2 Ca 0.00 0.55 -0.23 0.00 1.01 0.00 0.00 58.87 60.19 2yuy n SER 2 Cb 0.00 -2.34 -0.14 0.00 -1.01 0.00 0.00 64.21 60.72 2yuy n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yuy s SER 3 N -1.19 2.05 0.00 6.43 0.15 -1.26 -5.12 113.70 114.76 2yuy s SER 3 Ca 0.04 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2yuy s SER 3 Cb -0.00 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2yuy s SER 3 CO 0.23 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2yuy n GLY 4 N 2.09 3.40 3.20 9.45 0.00 -1.26 -5.07 105.19 117.00 2yuy n GLY 4 Ca -0.17 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 2yuy n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yuy n SER 5 N 0.00 -6.53 0.04 1.61 7.64 -1.26 -4.93 113.62 110.20 2yuy n SER 5 Ca 0.00 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.27 2yuy n SER 5 Cb 0.00 -2.12 0.00 0.00 -1.01 0.00 0.00 64.21 61.08 2yuy n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yuy n SER 6 N 0.83 -0.42 0.00 6.43 2.88 -1.26 -5.11 113.62 116.97 2yuy n SER 6 Ca -0.02 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2yuy n SER 6 Cb 0.49 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 2yuy n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuy n GLY 7 N 0.01 0.43 0.00 0.46 0.00 -1.26 -5.00 105.19 99.82 2yuy n GLY 7 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.98 3.81 -0.02 0.00 -1.26 -5.17 105.19 100.57 2yuy n GLY 8 Ca 0.00 0.94 -0.32 0.00 0.00 0.00 0.00 46.02 46.64 2yuy n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuy s PRO 9 N 0.00 3.22 -0.04 1.61 0.04 -1.26 -5.04 135.00 133.52 2yuy s PRO 9 Ca 0.00 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.00 2yuy s PRO 9 Cb 0.00 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2yuy s PRO 9 CO 0.00 -0.88 0.33 0.21 0.04 0.00 0.00 177.00 176.69 2yuy s LYS 10 N -4.47 3.80 0.03 4.56 2.47 -1.11 -5.03 119.74 119.98 2yuy s LYS 10 Ca 0.61 0.24 0.07 0.00 -1.56 0.00 0.00 55.97 55.33 2yuy s LYS 10 Cb -0.15 -3.23 -0.02 0.00 -1.46 0.00 0.00 37.83 32.98 2yuy s LYS 10 CO 0.44 0.69 -0.20 0.99 0.16 0.00 0.00 175.35 177.42 2yuy s THR 11 N -0.96 1.61 -0.10 3.43 2.01 -1.26 -2.48 115.64 117.89 2yuy s THR 11 Ca 0.21 -1.10 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 2yuy s THR 11 Cb -0.15 -1.39 0.05 0.00 0.01 0.00 0.00 72.50 71.02 2yuy s THR 11 CO 0.10 0.26 0.20 0.68 -0.69 0.00 0.00 174.62 175.17 2yuy s VAL 12 N -0.72 -0.22 0.28 3.82 -7.23 -0.88 -4.98 120.40 110.47 2yuy s VAL 12 Ca 0.07 0.26 -0.00 0.00 -1.81 0.00 0.00 61.98 60.50 2yuy s VAL 12 Cb -0.08 -0.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 2yuy s VAL 12 CO 0.01 0.11 0.48 -0.89 -0.31 0.00 0.00 175.10 174.50 2yuy s THR 13 N 1.91 5.14 0.04 5.32 2.01 -1.26 0.88 115.64 129.69 2yuy s THR 13 Ca -0.02 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 2yuy s THR 13 Cb -0.12 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2yuy s THR 13 CO -0.07 -0.37 0.01 -0.76 -0.69 0.00 0.00 174.62 172.73 2yuy s LEU 14 N -3.84 2.25 -0.14 4.42 1.02 0.33 -4.29 118.68 118.42 2yuy s LEU 14 Ca 0.39 -0.79 -0.01 0.00 0.02 0.00 0.00 54.13 53.75 2yuy s LEU 14 Cb -0.10 0.30 0.04 0.00 0.02 0.00 0.00 46.19 46.45 2yuy s LEU 14 CO 0.32 -0.53 -0.05 -0.54 0.02 0.00 0.00 176.35 175.58 2yuy s LYS 15 N -3.16 1.30 -0.39 1.70 1.02 -1.26 -1.32 119.74 117.63 2yuy s LYS 15 Ca -0.00 -0.34 -0.40 0.00 0.02 0.00 0.00 55.97 55.25 2yuy s LYS 15 Cb 0.02 -1.74 -0.15 0.00 -0.52 0.00 0.00 37.83 35.44 2yuy s LYS 15 CO -0.07 -0.38 2.00 -2.13 -0.92 0.00 0.00 175.35 173.85 2yuy n ARG 16 N 4.95 0.69 -3.66 1.68 0.63 0.08 -4.74 116.66 116.29 2yuy n ARG 16 Ca -0.11 0.22 -0.17 0.00 -0.92 0.00 0.00 57.85 56.86 2yuy n ARG 16 Cb 0.49 -2.00 -0.16 0.00 0.45 0.00 0.00 32.46 31.24 2yuy n ARG 16 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2yuy s THR 17 N 5.53 -0.24 0.27 5.15 -1.32 -1.26 -5.01 115.64 118.76 2yuy s THR 17 Ca 1.09 0.34 0.00 0.00 -1.21 0.00 0.00 61.69 61.91 2yuy s THR 17 Cb -1.16 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 2yuy s THR 17 CO 0.61 0.13 0.00 -1.20 -2.21 0.00 0.00 174.62 171.96 2yuy n SER 18 N 5.32 -6.53 -4.55 8.08 7.64 -1.26 -4.65 113.62 117.68 2yuy n SER 18 Ca -0.04 0.48 -0.60 0.00 1.01 0.00 0.00 58.87 59.71 2yuy n SER 18 Cb 0.50 -3.35 -0.09 0.00 -1.01 0.00 0.00 64.21 60.26 2yuy n SER 18 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2yuy n GLN 19 N -3.52 0.48 -0.56 1.43 7.27 -1.26 -4.52 117.38 116.71 2yuy n GLN 19 Ca 0.00 0.16 0.08 0.00 0.07 0.00 0.00 57.00 57.31 2yuy n GLN 19 Cb 0.50 -1.82 -0.02 0.00 2.41 0.00 0.00 30.24 31.32 2yuy n GLN 19 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2yuy n GLY 20 N 5.46 -0.81 1.63 1.69 0.00 -1.26 -4.83 105.19 107.08 2yuy n GLY 20 Ca 0.38 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.03 -3.76 0.00 1.61 3.72 -1.26 -4.34 117.46 111.40 2yuy n PHE 21 Ca 0.00 -0.48 0.00 0.00 -0.05 0.00 0.00 57.45 56.92 2yuy n PHE 21 Cb 0.25 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 2yuy n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2yuy n GLY 22 N 0.45 1.48 3.15 1.37 0.00 -1.26 -4.93 105.19 105.45 2yuy n GLY 22 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2yuy n GLY 22 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2yuy n PHE 23 N -0.25 -1.46 -3.57 1.61 -1.74 -1.26 -4.21 117.46 106.58 2yuy n PHE 23 Ca 0.00 0.38 -0.13 0.00 -0.56 0.00 0.00 57.45 57.14 2yuy n PHE 23 Cb 0.00 -1.48 -0.05 0.00 1.52 0.00 0.00 39.48 39.47 2yuy n PHE 23 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 2yuy s THR 24 N -2.13 0.03 0.41 1.97 -1.32 -0.94 -4.92 115.64 108.74 2yuy s THR 24 Ca 0.47 -0.27 0.08 0.00 -1.21 0.00 0.00 61.69 60.76 2yuy s THR 24 Cb -0.02 -1.01 -0.03 0.00 -1.51 0.00 0.00 72.50 69.93 2yuy s THR 24 CO 0.67 -0.15 0.30 -0.76 -2.21 0.00 0.00 174.62 172.47 2yuy s LEU 25 N -2.19 3.32 0.34 9.08 2.01 -1.26 -0.95 118.68 129.02 2yuy s LEU 25 Ca -0.03 -0.83 -0.13 0.00 0.01 0.00 0.00 54.13 53.15 2yuy s LEU 25 Cb -0.00 -1.87 0.03 0.00 0.01 0.00 0.00 46.19 44.36 2yuy s LEU 25 CO -0.05 -0.58 0.66 -0.60 1.01 0.00 0.00 176.35 176.80 2yuy s ARG 26 N -4.04 1.99 0.08 1.70 3.52 -1.26 -4.85 118.95 116.08 2yuy s ARG 26 Ca 0.45 -1.41 0.00 0.00 -0.13 0.00 0.00 55.73 54.64 2yuy s ARG 26 Cb -0.01 0.56 0.00 0.00 -1.56 0.00 0.00 34.95 33.94 2yuy s ARG 26 CO 0.26 -0.89 0.00 0.72 -0.81 0.00 0.00 175.30 174.58 2yuy n HIS 27 N -0.51 -3.54 -3.57 5.12 8.25 -1.26 -4.74 115.22 114.97 2yuy n HIS 27 Ca -0.05 2.12 -0.12 0.00 -0.26 0.00 0.00 57.72 59.42 2yuy n HIS 27 Cb 0.60 -3.29 -0.04 0.00 1.12 0.00 0.00 29.99 28.38 2yuy n HIS 27 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2yuy s PHE 28 N -0.41 -0.34 0.05 4.41 -0.71 -1.26 -4.89 117.98 114.84 2yuy s PHE 28 Ca 0.00 0.14 0.00 0.00 -1.04 0.00 0.00 56.93 56.03 2yuy s PHE 28 Cb 0.00 0.35 0.00 0.00 -1.21 0.00 0.00 43.02 42.16 2yuy s PHE 28 CO 0.00 -0.72 0.00 -0.89 -1.34 0.00 0.00 175.22 172.27 2yuy n ILE 29 N -0.08 0.36 -1.18 -4.49 5.41 -1.26 -5.10 119.36 113.02 2yuy n ILE 29 Ca -0.17 0.12 0.14 0.00 1.00 0.00 0.00 62.75 63.84 2yuy n ILE 29 Cb 0.63 -1.33 -0.05 0.00 -0.71 0.00 0.00 39.64 38.18 2yuy n ILE 29 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2yuy n VAL 30 N -3.12 0.00 -3.16 1.39 0.31 -1.26 -4.76 118.33 107.73 2yuy n VAL 30 Ca 0.00 0.32 -0.20 0.00 -0.01 0.00 0.00 64.34 64.44 2yuy n VAL 30 Cb 0.26 -0.67 -0.04 0.00 -0.91 0.00 0.00 33.84 32.47 2yuy n VAL 30 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2yuy n TYR 31 N -3.63 0.74 -1.55 3.52 4.02 -1.26 -4.95 117.16 114.05 2yuy n TYR 31 Ca -0.02 -3.82 -0.30 0.00 -0.01 0.00 0.00 57.90 53.75 2yuy n TYR 31 Cb 0.63 -0.42 0.10 0.00 -0.02 0.00 0.00 39.34 39.63 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 -2.38 1.97 0.82 -0.72 0.04 -1.26 -5.06 135.00 128.41 2yuy s PRO 32 Ca 0.40 0.60 -0.14 0.00 0.04 0.00 0.00 61.00 61.90 2yuy s PRO 32 Cb 0.31 -1.91 0.20 0.00 0.04 0.00 0.00 34.50 33.13 2yuy s PRO 32 CO -0.09 -1.69 0.90 -0.35 0.04 0.00 0.00 177.00 175.82 2yuy n PRO 33 N -3.47 -1.78 -0.05 0.56 -0.04 -1.26 -5.03 135.00 123.93 2yuy n PRO 33 Ca 0.07 -1.42 -0.00 0.00 -0.04 0.00 0.00 63.50 62.11 2yuy n PRO 33 Cb 0.57 -1.12 -0.00 0.00 -0.04 0.00 0.00 33.50 32.91 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 0.00 0.00 0.54 4.39 -2.07 -3.46 114.58 113.98 2yuy h GLU 34 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2yuy h GLU 34 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2yuy h GLU 34 CO 0.21 0.00 -0.03 0.45 -1.16 0.00 0.00 179.01 178.49 2yuy n SER 35 N -4.70 1.10 -2.84 1.42 2.88 -1.26 -5.11 113.62 105.11 2yuy n SER 35 Ca -0.00 0.14 -0.01 0.00 -1.33 0.00 0.00 58.87 57.67 2yuy n SER 35 Cb 0.01 -0.34 -0.01 0.00 -0.75 0.00 0.00 64.21 63.12 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 -3.49 -2.94 -1.43 -1.46 0.00 -1.26 -4.66 120.51 105.27 2yuy n ALA 36 Ca -0.00 0.73 -0.41 0.00 0.00 0.00 0.00 53.44 53.76 2yuy n ALA 36 Cb 0.01 -1.61 -0.05 0.00 0.00 0.00 0.00 19.45 17.80 2yuy n ALA 36 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2yuy n ILE 37 N 1.24 2.19 -2.69 0.00 -0.00 -1.26 -4.41 119.36 114.42 2yuy n ILE 37 Ca -0.09 -1.98 0.00 0.00 -0.00 0.00 0.00 62.75 60.68 2yuy n ILE 37 Cb 0.25 -2.35 0.02 0.00 -0.00 0.00 0.00 39.64 37.56 2yuy n ILE 37 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 2yuy s GLN 38 N 4.88 0.10 -0.04 0.38 0.74 -1.26 -5.07 119.66 119.38 2yuy s GLN 38 Ca 0.57 -0.06 -0.09 0.00 0.05 0.00 0.00 55.36 55.83 2yuy s GLN 38 Cb 0.12 0.01 -0.05 0.00 1.10 0.00 0.00 33.01 34.18 2yuy s GLN 38 CO 0.09 -0.13 0.43 0.35 -0.55 0.00 0.00 175.29 175.47 2yuy h PHE 39 N 4.83 -0.30 -5.53 1.67 3.04 -1.94 -3.49 116.94 115.22 2yuy h PHE 39 Ca -0.04 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.91 2yuy h PHE 39 Cb 1.22 0.10 -0.08 0.00 2.56 0.00 0.00 35.95 39.75 2yuy h PHE 39 CO -0.13 -0.18 -0.89 0.45 -2.02 0.00 0.00 178.31 175.53 2yuy n SER 40 N -4.38 -3.64 -3.50 0.41 2.88 -1.26 -5.05 113.62 99.08 2yuy n SER 40 Ca -0.04 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2yuy n SER 40 Cb 0.13 -3.60 -0.05 0.00 -0.75 0.00 0.00 64.21 59.94 2yuy n SER 40 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2yuy s TYR 41 N -0.38 -0.53 -0.29 0.66 1.13 -1.26 -5.17 117.35 111.51 2yuy s TYR 41 Ca -0.16 0.99 -0.29 0.00 -1.41 0.00 0.00 57.07 56.20 2yuy s TYR 41 Cb 0.01 0.32 0.19 0.00 -1.10 0.00 0.00 41.96 41.38 2yuy s TYR 41 CO 0.44 -0.27 1.36 0.21 -2.51 0.00 0.00 175.55 174.79 2yuy s LYS 42 N 1.85 0.07 0.03 -3.49 2.47 -1.26 -5.12 119.74 114.29 2yuy s LYS 42 Ca -0.05 0.02 0.00 0.00 -1.56 0.00 0.00 55.97 54.38 2yuy s LYS 42 Cb -0.04 0.03 0.00 0.00 -1.46 0.00 0.00 37.83 36.36 2yuy s LYS 42 CO -0.16 -0.02 0.00 -0.25 0.16 0.00 0.00 175.35 175.08 2yuy n ASP 43 N 0.63 -9.67 -4.78 1.43 8.00 -1.26 -4.92 116.55 105.97 2yuy n ASP 43 Ca -0.01 1.87 -0.34 0.00 0.71 0.00 0.00 54.79 57.01 2yuy n ASP 43 Cb 0.59 -5.27 -0.00 0.00 -0.02 0.00 0.00 41.12 36.42 2yuy n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2yuy s GLU 44 N -0.61 3.39 -0.11 -1.24 8.01 -1.26 -4.19 118.70 122.68 2yuy s GLU 44 Ca 0.00 1.50 -0.10 0.00 0.01 0.00 0.00 54.97 56.38 2yuy s GLU 44 Cb 0.00 -2.02 0.02 0.00 -4.31 0.00 0.00 34.13 27.81 2yuy s GLU 44 CO 0.00 -0.79 0.17 -0.85 0.01 0.00 0.00 175.26 173.79 2yuy n GLU 45 N -1.40 -0.51 -3.58 1.61 0.28 -1.26 -4.93 120.64 110.84 2yuy n GLU 45 Ca 0.11 0.44 -0.09 0.00 -0.16 0.00 0.00 57.16 57.46 2yuy n GLU 45 Cb 0.52 -0.61 -0.05 0.00 1.43 0.00 0.00 31.44 32.73 2yuy n GLU 45 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2yuy s ASN 46 N -0.47 -0.32 0.00 -1.84 2.47 -1.26 -5.02 114.94 108.49 2yuy s ASN 46 Ca 0.10 0.33 0.00 0.00 0.42 0.00 0.00 52.86 53.71 2yuy s ASN 46 Cb -0.01 0.27 0.00 0.00 -1.45 0.00 0.00 41.25 40.06 2yuy s ASN 46 CO 0.22 -0.31 0.00 0.61 -3.72 0.00 0.00 177.10 173.90 2yuy n GLY 47 N 0.65 -1.70 3.16 1.21 0.00 -1.26 -4.97 105.19 102.28 2yuy n GLY 47 Ca -0.09 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 43.95 2yuy n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2yuy s ASN 48 N -4.00 -1.53 0.22 1.61 3.84 -1.26 -5.16 114.94 108.66 2yuy s ASN 48 Ca 0.00 -0.09 -0.11 0.00 0.21 0.00 0.00 52.86 52.87 2yuy s ASN 48 Cb 0.00 1.96 -0.01 0.00 -0.55 0.00 0.00 41.25 42.65 2yuy s ASN 48 CO 0.00 -0.25 0.41 -0.13 -2.79 0.00 0.00 177.10 174.34 2yuy s ARG 49 N 2.55 1.43 0.00 0.43 3.00 -1.26 -5.17 118.95 119.93 2yuy s ARG 49 Ca 0.13 -1.26 0.00 0.00 0.00 0.00 0.00 55.73 54.59 2yuy s ARG 49 Cb -0.08 0.43 0.00 0.00 0.00 0.00 0.00 34.95 35.31 2yuy s ARG 49 CO -0.20 -0.57 0.00 0.41 0.00 0.00 0.00 175.30 174.93 2yuy n GLY 50 N -0.34 -0.56 0.00 -3.53 0.00 -1.26 -5.19 105.19 94.31 2yuy n GLY 50 Ca -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2yuy n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 51 N 0.00 -0.57 3.30 -0.02 0.00 -1.26 -5.17 105.19 101.47 2yuy n GLY 51 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 2yuy n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yuy s LYS 52 N -1.02 0.96 0.09 1.61 0.00 -1.26 -5.18 119.74 114.94 2yuy s LYS 52 Ca 0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 55.97 55.11 2yuy s LYS 52 Cb 0.00 0.42 0.08 0.00 0.00 0.00 0.00 37.83 38.33 2yuy s LYS 52 CO 0.00 -0.35 0.99 -0.65 0.00 0.00 0.00 175.35 175.34 2yuy s GLN 53 N -3.19 1.00 -0.84 1.78 -0.21 -1.26 -5.10 119.66 111.84 2yuy s GLN 53 Ca -0.01 -0.52 -0.22 0.00 0.02 0.00 0.00 55.36 54.63 2yuy s GLN 53 Cb 0.01 0.36 0.08 0.00 1.00 0.00 0.00 33.01 34.47 2yuy s GLN 53 CO -0.07 -0.46 1.16 1.03 -2.12 0.00 0.00 175.29 174.83 2yuy s ARG 54 N -3.13 3.39 -0.21 2.91 0.52 -1.26 -4.93 118.95 116.24 2yuy s ARG 54 Ca 0.11 -1.16 -0.04 0.00 -0.52 0.00 0.00 55.73 54.12 2yuy s ARG 54 Cb -0.01 -4.70 0.07 0.00 0.52 0.00 0.00 34.95 30.84 2yuy s ARG 54 CO -0.01 -1.92 0.09 1.21 0.02 0.00 0.00 175.30 174.69 2yuy s ASN 55 N 3.94 2.85 -0.41 0.23 3.84 -1.26 -5.03 114.94 119.10 2yuy s ASN 55 Ca 0.32 -0.88 0.09 0.00 0.21 0.00 0.00 52.86 52.60 2yuy s ASN 55 Cb -0.08 -0.37 0.30 0.00 -0.55 0.00 0.00 41.25 40.55 2yuy s ASN 55 CO -0.00 -0.37 0.65 -1.14 -2.79 0.00 0.00 177.10 173.45 2yuy n ARG 56 N 5.20 1.10 0.00 0.43 0.63 -1.26 -4.99 116.66 117.77 2yuy n ARG 56 Ca -0.07 -3.48 0.00 0.00 -0.92 0.00 0.00 57.85 53.38 2yuy n ARG 56 Cb 0.46 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.81 2yuy n ARG 56 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2yuy n LEU 57 N 0.77 0.00 -4.36 6.15 7.94 -1.26 -5.18 117.00 121.05 2yuy n LEU 57 Ca 0.24 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.95 2yuy n LEU 57 Cb 0.57 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.42 2yuy n LEU 57 CO 0.22 0.00 -0.44 -1.61 -1.11 0.00 0.00 177.39 174.45 2yuy s GLU 58 N 0.00 1.38 0.00 1.96 2.02 -1.26 -5.07 118.70 117.73 2yuy s GLU 58 Ca 0.00 -1.62 0.00 0.00 0.02 0.00 0.00 54.97 53.37 2yuy s GLU 58 Cb 0.00 -1.18 0.00 0.00 0.10 0.00 0.00 34.13 33.05 2yuy s GLU 58 CO 0.00 0.19 0.10 -0.35 0.02 0.00 0.00 175.26 175.22 2yuy n PRO 59 N -0.42 0.00 -1.43 0.39 -0.04 -1.26 -5.05 135.00 127.19 2yuy n PRO 59 Ca -0.07 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.56 2yuy n PRO 59 Cb 0.61 -0.53 -0.08 0.00 -0.04 0.00 0.00 33.50 33.46 2yuy n PRO 59 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2yuy n MET 60 N -0.40 -3.11 -1.58 0.54 2.81 -1.26 -4.88 117.12 109.24 2yuy n MET 60 Ca 0.00 2.41 -0.01 0.00 -1.81 0.00 0.00 57.70 58.29 2yuy n MET 60 Cb 0.00 -3.71 0.00 0.00 -0.71 0.00 0.00 33.22 28.80 2yuy n MET 60 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2yuy n ASP 61 N -4.34 0.14 0.00 7.83 8.00 -1.26 -4.94 116.55 121.98 2yuy n ASP 61 Ca -0.06 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.42 2yuy n ASP 61 Cb 0.68 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 2yuy n ASP 61 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2yuy n THR 62 N 0.02 0.00 -2.63 -3.53 -1.04 -1.26 -4.29 114.28 101.54 2yuy n THR 62 Ca -0.08 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.88 2yuy n THR 62 Cb 0.93 -0.18 -0.04 0.00 -1.82 0.00 0.00 70.33 69.22 2yuy n THR 62 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2yuy n ILE 63 N -2.00-11.77 -4.19 12.58 -0.00 -1.26 -3.90 119.36 108.82 2yuy n ILE 63 Ca 0.00 2.55 -0.24 0.00 -0.00 0.00 0.00 62.75 65.06 2yuy n ILE 63 Cb 0.00 -6.11 -0.06 0.00 -0.00 0.00 0.00 39.64 33.46 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 -0.59 2.91 0.42 1.39 0.40 -1.26 -1.16 117.98 120.10 2yuy s PHE 64 Ca -0.25 -0.13 -0.22 0.00 -0.60 0.00 0.00 56.93 55.73 2yuy s PHE 64 Cb 0.02 -1.36 -0.11 0.00 0.51 0.00 0.00 43.02 42.08 2yuy s PHE 64 CO 0.67 0.55 0.96 0.08 0.70 0.00 0.00 175.22 178.17 2yuy s VAL 65 N -1.98 4.31 -0.00 -0.44 1.01 0.20 -4.07 120.40 119.44 2yuy s VAL 65 Ca 0.30 1.49 -0.03 0.00 0.00 0.00 0.00 61.98 63.74 2yuy s VAL 65 Cb -0.08 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2yuy s VAL 65 CO 0.21 -0.26 -0.07 1.17 0.00 0.00 0.00 175.10 176.15 2yuy n LYS 66 N -0.53 0.10 -4.20 2.72 4.81 -0.12 -3.82 118.16 117.11 2yuy n LYS 66 Ca 0.07 0.04 -0.12 0.00 -0.87 0.00 0.00 58.31 57.43 2yuy n LYS 66 Cb 0.53 -0.53 -0.10 0.00 0.02 0.00 0.00 35.03 34.96 2yuy n LYS 66 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2yuy s GLN 67 N -1.70 0.98 -0.09 1.64 -0.21 -1.24 -4.79 119.66 114.25 2yuy s GLN 67 Ca -0.06 -1.44 -0.01 0.00 0.02 0.00 0.00 55.36 53.88 2yuy s GLN 67 Cb 0.01 -0.17 0.03 0.00 1.00 0.00 0.00 33.01 33.87 2yuy s GLN 67 CO 0.08 -0.10 -0.04 0.08 -2.12 0.00 0.00 175.29 173.19 2yuy s VAL 68 N -3.70 0.73 -0.16 1.09 1.01 -1.26 -2.21 120.40 115.91 2yuy s VAL 68 Ca 0.19 -0.11 -0.33 0.00 0.00 0.00 0.00 61.98 61.72 2yuy s VAL 68 Cb 0.06 -0.80 -0.11 0.00 0.00 0.00 0.00 36.38 35.53 2yuy s VAL 68 CO 0.00 0.31 1.99 1.17 0.00 0.00 0.00 175.10 178.58 2yuy n LYS 69 N 4.93 1.96 -2.09 2.72 4.81 -1.26 -4.82 118.16 124.41 2yuy n LYS 69 Ca -0.11 0.67 -0.30 0.00 -0.87 0.00 0.00 58.31 57.70 2yuy n LYS 69 Cb 0.50 -2.70 -0.04 0.00 0.02 0.00 0.00 35.03 32.80 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 4.82 2.65 0.00 1.64 2.12 -1.26 -2.08 118.70 126.59 2yuy s GLU 70 Ca 0.97 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 56.13 2yuy s GLU 70 Cb -0.67 -4.93 0.00 0.00 0.26 0.00 0.00 34.13 28.79 2yuy s GLU 70 CO 0.49 -3.14 0.00 0.41 -0.54 0.00 0.00 175.26 172.47 2yuy n GLY 71 N 6.60 1.63 0.00 -1.50 0.00 -1.26 -5.13 105.19 105.52 2yuy n GLY 71 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.32 6.12 0.04 -0.02 0.00 -0.88 -5.04 105.19 105.08 2yuy n GLY 72 Ca 0.00 -1.92 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.07 -0.92 1.61 0.13 -1.85 -3.10 132.00 127.80 2yuy h PRO 73 Ca 0.00 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.31 2yuy h PRO 73 Cb 0.00 0.02 -0.17 0.00 0.13 0.00 0.00 31.00 30.97 2yuy h PRO 73 CO 0.00 -0.05 -0.26 0.00 -0.23 0.00 0.00 178.00 177.47 2yuy h ALA 74 N -1.81 0.52 -0.79 -0.56 0.00 -1.90 0.97 119.26 115.69 2yuy h ALA 74 Ca -0.01 0.34 0.19 0.00 0.00 0.00 0.00 54.91 55.43 2yuy h ALA 74 Cb 0.05 0.75 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 2yuy h ALA 74 CO 0.01 -0.43 0.14 0.35 0.00 0.00 0.00 179.25 179.32 2yuy h PHE 75 N -0.01 0.19 0.17 0.00 3.57 -1.75 -1.14 116.94 117.98 2yuy h PHE 75 Ca 0.42 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.96 2yuy h PHE 75 Cb 0.66 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2yuy h PHE 75 CO -0.74 -0.18 -0.08 0.93 -2.23 0.00 0.00 178.31 176.01 2yuy h GLU 76 N 0.19 -0.22 -1.92 1.11 4.39 0.90 -2.94 114.58 116.09 2yuy h GLU 76 Ca 0.46 0.02 0.56 0.00 0.34 0.00 0.00 59.36 60.73 2yuy h GLU 76 Cb 0.85 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.47 2yuy h GLU 76 CO -0.61 0.18 1.40 0.00 -1.16 0.00 0.00 179.01 178.82 2yuy h ALA 77 N -0.04 3.83 0.00 3.43 0.00 0.45 -3.42 119.26 123.50 2yuy h ALA 77 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2yuy h ALA 77 Cb 0.50 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2yuy h ALA 77 CO 0.04 -2.39 0.00 0.41 0.00 0.00 0.00 179.25 177.31 2yuy n GLY 78 N -1.91 0.95 2.41 0.00 0.00 -0.57 -4.75 105.19 101.31 2yuy n GLY 78 Ca 0.43 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.60 -5.01 117.00 120.32 2yuy n LEU 79 Ca 0.00 -0.51 0.00 0.00 -1.11 0.00 0.00 56.01 54.39 2yuy n LEU 79 Cb 0.00 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.27 2yuy n LEU 79 CO 0.00 -2.37 0.00 0.00 -1.11 0.00 0.00 177.39 173.91 2yuy s THR 81 N -2.38 4.78 0.00 0.00 -4.23 -1.26 -4.37 115.64 108.19 2yuy s THR 81 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 2yuy s THR 81 Cb 0.00 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.72 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 3.04 2.01 3.72 3.99 0.00 -1.25 -5.03 105.19 111.67 2yuy n GLY 82 Ca -0.17 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.08 4.15 0.03 1.61 1.01 -1.26 -4.47 116.67 117.65 2yuy s ASP 83 Ca 0.00 2.46 0.07 0.00 0.71 0.00 0.00 52.55 55.79 2yuy s ASP 83 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 2yuy s ASP 83 CO 0.00 -2.30 -0.20 0.00 0.21 0.00 0.00 175.17 172.88 2yuy s ARG 84 N -3.78 1.43 -0.25 8.23 1.70 -1.26 0.62 118.95 125.64 2yuy s ARG 84 Ca 0.77 -0.88 -0.27 0.00 -0.47 0.00 0.00 55.73 54.88 2yuy s ARG 84 Cb -0.32 -1.50 0.01 0.00 -0.57 0.00 0.00 34.95 32.56 2yuy s ARG 84 CO 0.45 0.39 0.96 0.42 -1.08 0.00 0.00 175.30 176.43 2yuy s ILE 85 N -0.73 4.72 -0.20 4.99 1.09 -0.30 -3.95 121.20 126.81 2yuy s ILE 85 Ca 0.07 1.78 0.08 0.00 -1.10 0.00 0.00 60.65 61.48 2yuy s ILE 85 Cb -0.09 -4.25 -0.21 0.00 -1.06 0.00 0.00 42.46 36.85 2yuy s ILE 85 CO 0.01 -0.19 0.02 2.30 -0.10 0.00 0.00 174.94 176.99 2yuy n ILE 86 N 5.38 1.50 -4.23 2.92 -5.35 0.36 -4.64 119.36 115.30 2yuy n ILE 86 Ca 0.09 -0.70 -0.13 0.00 -0.27 0.00 0.00 62.75 61.74 2yuy n ILE 86 Cb 0.47 -1.08 -0.10 0.00 -1.74 0.00 0.00 39.64 37.18 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 -2.52 1.03 -0.28 6.28 1.02 -1.20 -4.16 119.74 119.90 2yuy s LYS 87 Ca -0.22 -1.46 0.02 0.00 0.02 0.00 0.00 55.97 54.33 2yuy s LYS 87 Cb 0.08 -0.45 0.16 0.00 -0.52 0.00 0.00 37.83 37.10 2yuy s LYS 87 CO 0.72 -0.00 0.45 0.08 -0.92 0.00 0.00 175.35 175.68 2yuy s VAL 88 N -3.47 -0.71 -0.42 3.17 1.01 0.21 -2.42 120.40 117.77 2yuy s VAL 88 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 2yuy s VAL 88 Cb 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2yuy s VAL 88 CO 0.00 -0.19 0.41 0.59 0.00 0.00 0.00 175.10 175.91 2yuy n ASN 89 N 5.37 -5.48 -1.84 3.32 3.02 -1.01 -3.05 115.26 115.58 2yuy n ASN 89 Ca 0.01 0.01 -0.05 0.00 -0.03 0.00 0.00 54.58 54.52 2yuy n ASN 89 Cb 0.50 -3.59 -0.01 0.00 -0.61 0.00 0.00 39.78 36.08 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 -1.32 -0.06 3.20 7.41 0.00 -1.26 -4.87 105.19 108.29 2yuy n GLY 90 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2yuy n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yuy s GLU 91 N -3.77 3.00 -0.26 1.61 0.41 -1.17 -4.99 118.70 113.52 2yuy s GLU 91 Ca 0.00 -0.86 0.02 0.00 -0.41 0.00 0.00 54.97 53.72 2yuy s GLU 91 Cb 0.00 -2.32 0.37 0.00 -1.78 0.00 0.00 34.13 30.40 2yuy s GLU 91 CO 0.00 0.11 1.56 0.43 -0.49 0.00 0.00 175.26 176.86 2yuy n SER 92 N 3.72 3.67 -2.91 -0.19 7.64 -1.26 0.68 113.62 124.96 2yuy n SER 92 Ca -0.19 -2.93 -0.09 0.00 1.01 0.00 0.00 58.87 56.66 2yuy n SER 92 Cb 0.52 -0.72 -0.02 0.00 -1.01 0.00 0.00 64.21 62.99 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 -0.39 -0.04 -1.55 0.44 0.24 -1.26 -4.67 118.33 111.10 2yuy n VAL 93 Ca 0.34 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.29 2yuy n VAL 93 Cb 1.12 -0.20 -0.05 0.00 -1.47 0.00 0.00 33.84 33.25 2yuy n VAL 93 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2yuy n ILE 94 N -2.87 -0.07 0.00 1.34 2.08 -1.26 -2.34 119.36 116.24 2yuy n ILE 94 Ca 0.02 -0.71 0.00 0.00 0.56 0.00 0.00 62.75 62.62 2yuy n ILE 94 Cb 0.50 -2.51 0.00 0.00 -0.75 0.00 0.00 39.64 36.87 2yuy n ILE 94 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2yuy n GLY 95 N 6.11 1.75 3.65 7.39 0.00 -1.26 -4.96 105.19 117.87 2yuy n GLY 95 Ca 0.41 -0.25 -0.63 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 0.12 -1.62 1.61 5.02 -0.99 -4.90 118.16 117.41 2yuy n LYS 96 Ca 0.00 0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.04 2yuy n LYS 96 Cb 0.00 -1.56 0.14 0.00 -0.02 0.00 0.00 35.03 33.59 2yuy n LYS 96 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2yuy s THR 97 N 1.81 1.96 0.46 -0.18 -1.32 -1.26 -4.61 115.64 112.51 2yuy s THR 97 Ca 0.99 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.68 2yuy s THR 97 Cb -1.36 -2.81 0.40 0.00 -1.51 0.00 0.00 72.50 67.21 2yuy s THR 97 CO 0.70 0.00 1.90 0.22 -2.21 0.00 0.00 174.62 175.23 2yuy h TYR 98 N -1.54 0.34 0.01 9.09 5.03 -1.98 0.31 116.97 128.23 2yuy h TYR 98 Ca -0.48 0.01 -0.24 0.00 2.58 0.00 0.00 58.73 60.60 2yuy h TYR 98 Cb 1.31 -0.10 0.01 0.00 1.55 0.00 0.00 36.73 39.50 2yuy h TYR 98 CO -0.14 0.10 -0.99 1.03 -1.32 0.00 0.00 178.16 176.85 2yuy h SER 99 N 0.27 0.61 0.07 -2.11 0.87 -1.99 -2.52 113.55 108.75 2yuy h SER 99 Ca 0.40 -0.50 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2yuy h SER 99 Cb 1.17 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2yuy h SER 99 CO -0.10 1.31 -0.03 1.56 -0.53 0.00 0.00 176.83 179.03 2yuy h GLN 100 N 0.26 -0.09 -0.50 2.24 4.20 -0.89 -1.64 115.11 118.68 2yuy h GLN 100 Ca -0.10 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.67 2yuy h GLN 100 Cb 1.63 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.40 2yuy h GLN 100 CO 0.18 0.23 0.33 -0.39 -0.67 0.00 0.00 178.83 178.51 2yuy h VAL 101 N -0.41 0.99 0.01 -0.54 -1.51 -0.68 -0.94 116.25 113.17 2yuy h VAL 101 Ca -0.01 -0.16 -0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2yuy h VAL 101 Cb 0.36 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 2yuy h VAL 101 CO 0.02 0.09 -0.01 0.40 -1.23 0.00 0.00 177.57 176.84 2yuy h ILE 102 N 0.47 1.12 -0.88 7.19 1.08 -1.18 -2.45 117.51 122.86 2yuy h ILE 102 Ca 0.21 -0.39 0.09 0.00 -0.39 0.00 0.00 64.86 64.38 2yuy h ILE 102 Cb 0.25 1.38 -0.06 0.00 -3.07 0.00 0.00 36.82 35.33 2yuy h ILE 102 CO -0.06 0.10 0.57 0.00 -0.69 0.00 0.00 178.15 178.07 2yuy h ALA 103 N 0.81 1.61 -0.50 1.87 0.00 -0.29 0.31 119.26 123.06 2yuy h ALA 103 Ca -0.00 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.02 2yuy h ALA 103 Cb 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2yuy h ALA 103 CO 0.00 0.23 0.35 -0.07 0.00 0.00 0.00 179.25 179.76 2yuy h LEU 104 N 0.91 0.14 0.00 0.00 3.38 -0.75 1.48 115.31 120.47 2yuy h LEU 104 Ca 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 2yuy h LEU 104 Cb 0.34 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2yuy h LEU 104 CO -0.16 0.08 -0.09 0.40 0.09 0.00 0.00 178.44 178.76 2yuy h ILE 105 N 0.15 1.63 -0.83 1.22 2.04 -0.21 -2.20 117.51 119.31 2yuy h ILE 105 Ca 0.24 -2.25 0.02 0.00 1.00 0.00 0.00 64.86 63.87 2yuy h ILE 105 Cb 0.74 3.10 -0.04 0.00 -0.74 0.00 0.00 36.82 39.88 2yuy h ILE 105 CO -0.03 0.55 0.55 1.56 0.00 0.00 0.00 178.15 180.78 2yuy h GLN 106 N -1.00 1.05 -0.78 2.37 4.20 -0.20 0.38 115.11 121.14 2yuy h GLN 106 Ca -0.02 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.45 2yuy h GLN 106 Cb 0.96 -0.24 -0.10 0.00 0.30 0.00 0.00 27.48 28.40 2yuy h GLN 106 CO -0.01 0.70 0.22 0.09 -0.67 0.00 0.00 178.83 179.15 2yuy n ASN 107 N -4.43 4.59 -0.01 1.46 3.02 0.50 -4.17 115.26 116.22 2yuy n ASN 107 Ca 0.10 -3.04 0.14 0.00 -0.03 0.00 0.00 54.58 51.75 2yuy n ASN 107 Cb 0.06 -0.72 0.67 0.00 -0.61 0.00 0.00 39.78 39.19 2yuy n ASN 107 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2yuy n SER 108 N -0.02 0.08 0.00 6.41 2.88 0.12 -4.92 113.62 118.17 2yuy n SER 108 Ca 0.35 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2yuy n SER 108 Cb 1.26 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 2yuy n SER 108 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2yuy n ASP 109 N -1.34 0.00 0.37 -3.46 2.03 -1.26 -4.25 116.55 108.65 2yuy n ASP 109 Ca 0.11 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.24 2yuy n ASP 109 Cb 0.28 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.59 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 -3.24 5.18 2.02 -1.95 -3.44 112.91 111.48 2yuy h THR 110 Ca 0.00 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 66.70 2yuy h THR 110 Cb 0.00 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 66.43 2yuy h THR 110 CO 0.00 0.00 -0.02 0.42 0.37 0.00 0.00 175.52 176.29 2yuy s THR 111 N -5.72 4.99 -0.20 3.16 -4.23 -1.26 -0.74 115.64 111.63 2yuy s THR 111 Ca -0.18 -0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.16 2yuy s THR 111 Cb 0.03 -3.86 0.07 0.00 1.34 0.00 0.00 72.50 70.08 2yuy s THR 111 CO 0.56 -0.72 0.47 -0.22 -0.54 0.00 0.00 174.62 174.18 2yuy s LEU 112 N -4.53 -0.43 -0.06 4.79 1.98 -0.44 -4.73 118.68 115.28 2yuy s LEU 112 Ca 0.44 1.06 0.01 0.00 -2.89 0.00 0.00 54.13 52.76 2yuy s LEU 112 Cb -0.10 1.58 -0.03 0.00 0.66 0.00 0.00 46.19 48.30 2yuy s LEU 112 CO 0.41 -0.21 -0.07 -0.70 -1.89 0.00 0.00 176.35 173.89 2yuy s GLU 113 N 1.80 2.72 0.35 1.98 2.12 -1.26 0.12 118.70 126.53 2yuy s GLU 113 Ca -0.08 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.69 2yuy s GLU 113 Cb -0.09 -2.58 -0.00 0.00 0.26 0.00 0.00 34.13 31.72 2yuy s GLU 113 CO -0.14 0.66 0.02 1.28 -0.54 0.00 0.00 175.26 176.54 2yuy n LEU 114 N 2.10 0.00 -3.67 2.70 4.77 0.25 -2.42 117.00 120.74 2yuy n LEU 114 Ca -0.17 -2.29 -0.09 0.00 -0.03 0.00 0.00 56.01 53.43 2yuy n LEU 114 Cb 0.53 0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.90 2yuy n LEU 114 CO 0.28 -0.33 0.23 -0.44 -1.33 0.00 0.00 177.39 175.79 2yuy s SER 115 N -2.97 -0.74 0.10 -1.43 0.01 -1.02 -2.08 113.70 105.58 2yuy s SER 115 Ca 0.03 1.24 0.01 0.00 1.31 0.00 0.00 55.95 58.54 2yuy s SER 115 Cb 0.00 1.13 -0.00 0.00 0.21 0.00 0.00 66.02 67.36 2yuy s SER 115 CO 0.02 -0.22 0.04 1.33 0.41 0.00 0.00 173.24 174.83 2yuy n VAL 116 N 4.09 0.00 -3.45 3.43 0.24 -1.04 0.13 118.33 121.74 2yuy n VAL 116 Ca -0.20 -0.61 -0.29 0.00 -2.04 0.00 0.00 64.34 61.20 2yuy n VAL 116 Cb 0.57 0.22 -0.12 0.00 -1.47 0.00 0.00 33.84 33.05 2yuy n VAL 116 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2yuy s MET 117 N -2.40 0.62 0.65 7.34 -1.94 -1.26 -2.75 119.30 119.57 2yuy s MET 117 Ca 0.06 -1.49 -0.13 0.00 -1.71 0.00 0.00 55.69 52.42 2yuy s MET 117 Cb 0.00 -1.32 -0.01 0.00 2.01 0.00 0.00 34.83 35.51 2yuy s MET 117 CO 0.04 -1.25 1.06 -1.25 -0.01 0.00 0.00 175.02 173.61 2yuy s PRO 118 N 0.86 3.12 0.18 2.03 0.04 -1.26 -4.90 135.00 135.08 2yuy s PRO 118 Ca 0.21 1.04 0.09 0.00 0.04 0.00 0.00 61.00 62.38 2yuy s PRO 118 Cb -0.17 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2yuy s PRO 118 CO -0.03 -0.96 -0.18 0.15 0.04 0.00 0.00 177.00 176.02 2yuy s LYS 119 N -4.65 1.31 -0.71 4.56 1.02 -1.26 -5.07 119.74 114.93 2yuy s LYS 119 Ca 0.60 -1.45 -0.26 0.00 0.02 0.00 0.00 55.97 54.88 2yuy s LYS 119 Cb -0.15 -1.34 -0.01 0.00 -0.52 0.00 0.00 37.83 35.82 2yuy s LYS 119 CO 0.47 0.26 1.70 -0.51 -0.92 0.00 0.00 175.35 176.36 2yuy s ASP 120 N -2.79 5.55 0.22 2.83 1.01 -1.26 -4.59 116.67 117.64 2yuy s ASP 120 Ca 0.17 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.32 2yuy s ASP 120 Cb -0.05 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.34 2yuy s ASP 120 CO 0.07 -2.24 0.00 -0.24 0.21 0.00 0.00 175.17 172.97 2yuy n SER 121 N 11.85 -5.58 -3.03 0.27 2.88 -1.26 -5.08 113.62 113.67 2yuy n SER 121 Ca 0.20 0.68 0.04 0.00 -1.33 0.00 0.00 58.87 58.46 2yuy n SER 121 Cb 0.51 -2.07 0.00 0.00 -0.75 0.00 0.00 64.21 61.89 2yuy n SER 121 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yuy s GLY 122 N -1.86 -1.10 0.07 0.46 0.00 -1.26 -5.15 107.32 98.48 2yuy s GLY 122 Ca 0.00 1.93 -0.30 0.00 0.00 0.00 0.00 44.72 46.35 2yuy s GLY 122 CO 0.00 4.20 1.16 2.56 0.00 0.00 0.00 173.10 181.02 2yuy s PRO 123 N 2.66 4.47 0.36 2.90 0.04 -1.26 -5.04 135.00 139.13 2yuy s PRO 123 Ca 0.25 1.72 0.08 0.00 0.04 0.00 0.00 61.00 63.09 2yuy s PRO 123 Cb 0.00 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2yuy s PRO 123 CO -0.20 -0.19 0.19 -1.12 0.04 0.00 0.00 177.00 175.72 2yuy s SER 124 N 0.89 4.77 -0.57 6.66 0.01 -1.26 -5.08 113.70 119.12 2yuy s SER 124 Ca 0.57 -0.77 -0.19 0.00 1.31 0.00 0.00 55.95 56.86 2yuy s SER 124 Cb -0.29 -0.71 0.09 0.00 0.21 0.00 0.00 66.02 65.32 2yuy s SER 124 CO 0.30 -0.37 0.70 -0.55 0.41 0.00 0.00 173.24 173.73 2yuy s SER 125 N -3.90 6.20 0.00 2.44 0.15 -1.26 -5.27 113.70 112.06 2yuy s SER 125 Ca 0.40 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.82 2yuy s SER 125 Cb -0.02 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2yuy s SER 125 CO 0.24 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 174.22