#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuy s SER 2 N 0.00 2.65 -0.33 1.61 0.15 -1.26 -4.85 113.70 111.67 2yuy s SER 2 Ca 0.00 -0.48 -0.04 0.00 0.70 0.00 0.00 55.95 56.13 2yuy s SER 2 Cb 0.00 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2yuy s SER 2 CO 0.00 -0.02 0.14 -1.20 1.20 0.00 0.00 173.24 173.36 2yuy n SER 3 N 4.49 -7.86 -0.65 5.45 7.64 -1.26 -4.85 113.62 116.58 2yuy n SER 3 Ca -0.18 1.20 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2yuy n SER 3 Cb 0.51 -5.25 0.00 0.00 -1.01 0.00 0.00 64.21 58.46 2yuy n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuy n GLY 4 N 0.45 -0.77 2.17 0.23 0.00 -1.26 -5.07 105.19 100.94 2yuy n GLY 4 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2yuy n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yuy n SER 5 N -0.09 -3.03 -4.61 1.61 3.41 -1.26 -4.91 113.62 104.75 2yuy n SER 5 Ca 0.00 0.70 -0.28 0.00 -0.26 0.00 0.00 58.87 59.03 2yuy n SER 5 Cb 0.00 2.91 -0.09 0.00 -0.26 0.00 0.00 64.21 66.77 2yuy n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yuy s SER 6 N -2.44 4.51 0.00 4.04 0.01 -1.26 -4.98 113.70 113.58 2yuy s SER 6 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2yuy s SER 6 Cb 0.00 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.34 2yuy s SER 6 CO 0.00 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.40 2yuy n GLY 7 N 0.31 4.84 3.09 3.44 0.00 -1.26 -5.04 105.19 110.57 2yuy n GLY 7 Ca -0.12 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 5.00 0.69 3.80 -0.02 0.00 -1.26 -4.92 105.19 108.48 2yuy n GLY 8 Ca 0.00 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 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 3.64 -0.22 1.61 0.04 -1.26 -5.02 135.00 133.78 2yuy s PRO 9 Ca 0.00 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.15 2yuy s PRO 9 Cb 0.00 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2yuy s PRO 9 CO 0.00 -0.56 0.39 0.21 0.04 0.00 0.00 177.00 177.08 2yuy s LYS 10 N -3.61 4.12 0.07 4.56 2.20 -1.23 -5.03 119.74 120.82 2yuy s LYS 10 Ca 0.65 0.15 0.05 0.00 -0.36 0.00 0.00 55.97 56.46 2yuy s LYS 10 Cb -0.16 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2yuy s LYS 10 CO 0.27 -0.12 -0.07 0.99 -0.36 0.00 0.00 175.35 176.07 2yuy s THR 11 N 1.56 3.61 -0.02 3.43 2.01 -1.26 -1.39 115.64 123.58 2yuy s THR 11 Ca 0.18 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.14 2yuy s THR 11 Cb -0.15 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.71 2yuy s THR 11 CO 0.08 0.20 -0.05 0.68 -0.69 0.00 0.00 174.62 174.84 2yuy s VAL 12 N -1.17 0.49 -0.12 3.82 -7.23 0.34 -4.96 120.40 111.57 2yuy s VAL 12 Ca 0.21 -0.18 -0.03 0.00 -1.81 0.00 0.00 61.98 60.17 2yuy s VAL 12 Cb -0.11 -0.47 -0.03 0.00 0.56 0.00 0.00 36.38 36.33 2yuy s VAL 12 CO 0.13 0.18 -0.00 -0.89 -0.31 0.00 0.00 175.10 174.20 2yuy s THR 13 N 0.38 4.25 -0.05 5.32 2.01 -1.26 0.14 115.64 126.43 2yuy s THR 13 Ca -0.05 -0.25 0.06 0.00 0.31 0.00 0.00 61.69 61.76 2yuy s THR 13 Cb -0.08 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 2yuy s THR 13 CO -0.00 0.55 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.48 2yuy s LEU 14 N -0.36 2.05 -0.25 4.42 1.02 0.45 -4.53 118.68 121.48 2yuy s LEU 14 Ca 0.07 -0.49 -0.07 0.00 0.02 0.00 0.00 54.13 53.66 2yuy s LEU 14 Cb -0.12 -1.32 -0.03 0.00 0.02 0.00 0.00 46.19 44.74 2yuy s LEU 14 CO 0.02 0.24 0.07 -0.54 0.02 0.00 0.00 176.35 176.16 2yuy s LYS 15 N -0.17 3.67 -0.36 1.70 1.02 -1.26 0.18 119.74 124.52 2yuy s LYS 15 Ca -0.03 -0.47 -0.38 0.00 0.02 0.00 0.00 55.97 55.11 2yuy s LYS 15 Cb -0.13 -3.32 -0.14 0.00 -0.52 0.00 0.00 37.83 33.72 2yuy s LYS 15 CO 0.03 -0.17 2.07 -2.13 -0.92 0.00 0.00 175.35 174.23 2yuy n ARG 16 N 4.86 0.88 0.00 1.68 0.63 -0.09 -4.76 116.66 119.86 2yuy n ARG 16 Ca -0.16 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2yuy n ARG 16 Cb 0.51 -2.18 0.00 0.00 0.45 0.00 0.00 32.46 31.25 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 6.39 0.00 0.05 5.15 -2.24 -1.26 -4.99 114.28 117.38 2yuy n THR 17 Ca 0.40 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 2yuy n THR 17 Cb 0.15 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 2yuy n THR 17 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2yuy n SER 18 N 0.00 -0.13 0.29 3.42 2.88 -1.26 -4.95 113.62 113.87 2yuy n SER 18 Ca 0.00 0.16 -0.16 0.00 -1.33 0.00 0.00 58.87 57.55 2yuy n SER 18 Cb 0.00 0.21 -0.08 0.00 -0.75 0.00 0.00 64.21 63.59 2yuy n SER 18 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2yuy h GLN 19 N 0.00 -0.70 0.00 -1.46 7.50 -2.01 -3.46 115.11 114.98 2yuy h GLN 19 Ca 0.00 0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.20 2yuy h GLN 19 Cb 0.00 0.16 0.00 0.00 0.05 0.00 0.00 27.48 27.69 2yuy h GLN 19 CO 0.00 -0.40 0.00 0.41 -1.50 0.00 0.00 178.83 177.34 2yuy n GLY 20 N -0.91 -1.54 7.00 3.46 0.00 -1.26 -5.14 105.19 106.79 2yuy n GLY 20 Ca -0.12 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 -1.56 -3.16 1.61 3.72 -1.26 -4.52 117.46 112.29 2yuy n PHE 21 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 2yuy n PHE 21 Cb 0.00 0.25 -0.04 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.00 3.96 3.64 1.37 0.00 -1.26 -4.82 105.19 108.08 2yuy n GLY 22 Ca 0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.39 -0.02 0.07 1.61 -0.71 -1.26 -1.35 117.98 113.93 2yuy s PHE 23 Ca 0.41 0.01 -0.01 0.00 -1.04 0.00 0.00 56.93 56.30 2yuy s PHE 23 Cb 0.28 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.55 2yuy s PHE 23 CO -0.09 -0.03 -0.01 -0.08 -1.34 0.00 0.00 175.22 173.66 2yuy s THR 24 N -2.07 0.20 0.53 -4.49 -1.32 -1.16 -4.96 115.64 102.37 2yuy s THR 24 Ca 0.12 -1.83 0.06 0.00 -1.21 0.00 0.00 61.69 58.82 2yuy s THR 24 Cb -0.01 -1.63 0.03 0.00 -1.51 0.00 0.00 72.50 69.38 2yuy s THR 24 CO -0.02 -0.89 0.38 -0.76 -2.21 0.00 0.00 174.62 171.12 2yuy s LEU 25 N -2.95 2.75 0.06 9.08 2.01 -1.26 -1.02 118.68 127.36 2yuy s LEU 25 Ca 0.10 -1.22 -0.27 0.00 0.01 0.00 0.00 54.13 52.76 2yuy s LEU 25 Cb 0.08 -1.24 0.09 0.00 0.01 0.00 0.00 46.19 45.13 2yuy s LEU 25 CO -0.08 -1.05 1.18 -0.13 1.01 0.00 0.00 176.35 177.28 2yuy s ARG 26 N -4.25 0.75 -0.05 1.70 0.52 -0.40 -4.55 118.95 112.67 2yuy s ARG 26 Ca 0.35 -0.46 -0.04 0.00 -0.52 0.00 0.00 55.73 55.06 2yuy s ARG 26 Cb -0.02 0.23 0.02 0.00 0.52 0.00 0.00 34.95 35.69 2yuy s ARG 26 CO 0.21 -0.35 0.08 1.58 0.02 0.00 0.00 175.30 176.84 2yuy n HIS 27 N -0.67 -2.89 -3.65 -0.53 -0.00 -1.26 -3.51 115.22 102.70 2yuy n HIS 27 Ca -0.03 1.70 -0.05 0.00 0.46 0.00 0.00 57.72 59.80 2yuy n HIS 27 Cb 0.60 -3.07 -0.06 0.00 -0.12 0.00 0.00 29.99 27.33 2yuy n HIS 27 CO 0.00 0.00 0.00 -0.59 0.46 0.00 0.00 176.34 176.21 2yuy s PHE 28 N -0.39 -1.12 -0.31 1.57 -0.71 -1.26 -4.57 117.98 111.19 2yuy s PHE 28 Ca -0.09 2.11 -0.03 0.00 -1.04 0.00 0.00 56.93 57.89 2yuy s PHE 28 Cb 0.01 0.65 0.05 0.00 -1.21 0.00 0.00 43.02 42.52 2yuy s PHE 28 CO 0.25 -0.56 0.03 0.42 -1.34 0.00 0.00 175.22 174.01 2yuy s ILE 29 N 2.09 3.16 0.47 -4.49 1.01 -1.26 -5.09 121.20 117.09 2yuy s ILE 29 Ca -0.08 -1.35 0.04 0.00 0.00 0.00 0.00 60.65 59.26 2yuy s ILE 29 Cb -0.08 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 2yuy s ILE 29 CO -0.19 -0.14 0.09 -0.69 0.00 0.00 0.00 174.94 174.01 2yuy s VAL 30 N 1.28 1.64 -0.43 2.92 1.01 -1.26 -4.69 120.40 120.87 2yuy s VAL 30 Ca -0.04 -1.88 0.08 0.00 0.00 0.00 0.00 61.98 60.14 2yuy s VAL 30 Cb -0.20 -2.52 0.31 0.00 0.00 0.00 0.00 36.38 33.97 2yuy s VAL 30 CO -0.00 0.00 0.92 -1.22 0.00 0.00 0.00 175.10 174.80 2yuy n TYR 31 N -1.25 -1.78 -1.52 5.22 4.02 -1.26 -5.07 117.16 115.52 2yuy n TYR 31 Ca -0.10 -2.73 -0.29 0.00 -0.01 0.00 0.00 57.90 54.77 2yuy n TYR 31 Cb 0.66 0.83 0.17 0.00 -0.02 0.00 0.00 39.34 40.98 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 -0.64 0.54 0.37 -0.72 0.04 -1.26 -5.02 135.00 128.31 2yuy s PRO 32 Ca 0.30 0.07 -0.25 0.00 0.04 0.00 0.00 61.00 61.15 2yuy s PRO 32 Cb 0.29 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.95 2yuy s PRO 32 CO -0.09 -2.56 1.06 -1.25 0.04 0.00 0.00 177.00 174.20 2yuy s PRO 33 N -5.44 4.26 0.51 0.56 0.04 -1.26 -5.03 135.00 128.64 2yuy s PRO 33 Ca 0.67 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 2yuy s PRO 33 Cb -0.11 -2.68 -0.07 0.00 0.04 0.00 0.00 34.50 31.67 2yuy s PRO 33 CO 0.54 -0.07 0.96 -1.83 0.04 0.00 0.00 177.00 176.64 2yuy s GLU 34 N -2.27 3.90 -0.90 4.56 1.03 -1.26 -3.64 118.70 120.12 2yuy s GLU 34 Ca 0.55 0.88 -0.09 0.00 0.03 0.00 0.00 54.97 56.34 2yuy s GLU 34 Cb -0.24 -2.16 0.09 0.00 -0.80 0.00 0.00 34.13 31.01 2yuy s GLU 34 CO 0.30 -0.27 0.28 0.45 -1.33 0.00 0.00 175.26 174.70 2yuy n SER 35 N -1.64 -1.97 -4.60 0.83 2.88 -1.26 -4.83 113.62 103.02 2yuy n SER 35 Ca 0.06 -0.23 -0.42 0.00 -1.33 0.00 0.00 58.87 56.94 2yuy n SER 35 Cb 0.54 -1.74 -0.04 0.00 -0.75 0.00 0.00 64.21 62.22 2yuy n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yuy s ALA 36 N -2.61 3.44 -1.08 -1.46 0.00 -1.24 -4.96 121.76 113.85 2yuy s ALA 36 Ca 0.34 -0.45 -0.22 0.00 0.00 0.00 0.00 51.96 51.62 2yuy s ALA 36 Cb -0.19 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2yuy s ALA 36 CO 0.42 -1.50 1.74 0.42 0.00 0.00 0.00 175.76 176.84 2yuy s ILE 37 N 3.32 3.77 -0.11 0.00 1.09 -1.26 -4.94 121.20 123.06 2yuy s ILE 37 Ca 0.36 -0.95 -0.13 0.00 -1.10 0.00 0.00 60.65 58.83 2yuy s ILE 37 Cb -0.13 -4.72 -0.05 0.00 -1.06 0.00 0.00 42.46 36.51 2yuy s ILE 37 CO 0.17 -1.51 0.31 -1.10 -0.10 0.00 0.00 174.94 172.70 2yuy s GLN 38 N 5.64 4.04 -0.89 2.79 -1.52 -1.26 -5.02 119.66 123.43 2yuy s GLN 38 Ca 0.59 0.16 -0.24 0.00 -1.95 0.00 0.00 55.36 53.91 2yuy s GLN 38 Cb -0.01 -3.33 0.05 0.00 -0.22 0.00 0.00 33.01 29.49 2yuy s GLN 38 CO 0.01 0.45 1.35 -0.06 -0.25 0.00 0.00 175.29 176.78 2yuy s PHE 39 N -0.18 2.46 -0.26 0.91 0.40 -1.26 -4.90 117.98 115.15 2yuy s PHE 39 Ca 0.19 -0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 55.96 2yuy s PHE 39 Cb -0.14 -4.64 0.14 0.00 0.51 0.00 0.00 43.02 38.90 2yuy s PHE 39 CO 0.07 -1.96 0.40 0.45 0.70 0.00 0.00 175.22 174.87 2yuy s SER 40 N 4.38 0.16 -0.57 1.36 0.15 -1.26 -5.03 113.70 112.89 2yuy s SER 40 Ca 0.40 0.13 -0.03 0.00 0.70 0.00 0.00 55.95 57.15 2yuy s SER 40 Cb -0.04 1.19 0.17 0.00 -1.71 0.00 0.00 66.02 65.63 2yuy s SER 40 CO 0.01 -0.31 2.48 0.00 1.20 0.00 0.00 173.24 176.62 2yuy n TYR 41 N 5.37 2.05 -3.64 3.44 4.19 -1.26 -4.76 117.16 122.55 2yuy n TYR 41 Ca -0.02 -2.10 -0.21 0.00 3.31 0.00 0.00 57.90 58.88 2yuy n TYR 41 Cb 0.50 -1.30 0.04 0.00 0.49 0.00 0.00 39.34 39.07 2yuy n TYR 41 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 2yuy n LYS 42 N 0.36 -4.39 -3.15 2.98 0.00 -1.26 -4.97 118.16 107.74 2yuy n LYS 42 Ca 0.50 0.64 0.05 0.00 0.00 0.00 0.00 58.31 59.50 2yuy n LYS 42 Cb 0.47 -5.17 -0.01 0.00 0.00 0.00 0.00 35.03 30.31 2yuy n LYS 42 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2yuy s ASP 43 N -4.18 -0.44 0.39 3.14 -4.77 -1.26 -5.16 116.67 104.39 2yuy s ASP 43 Ca 0.09 0.22 -0.13 0.00 -3.30 0.00 0.00 52.55 49.43 2yuy s ASP 43 Cb -0.02 1.35 -0.08 0.00 -1.09 0.00 0.00 42.92 43.08 2yuy s ASP 43 CO 0.80 -0.08 0.79 -1.61 0.70 0.00 0.00 175.17 175.77 2yuy s GLU 44 N 2.96 3.89 0.28 2.11 2.02 -1.26 -4.97 118.70 123.72 2yuy s GLU 44 Ca 0.05 0.61 0.00 0.00 0.02 0.00 0.00 54.97 55.65 2yuy s GLU 44 Cb -0.08 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.78 2yuy s GLU 44 CO -0.13 0.00 0.00 0.39 0.02 0.00 0.00 175.26 175.54 2yuy n GLU 45 N -0.99 0.00 -3.65 1.61 1.02 -1.26 -5.16 120.64 112.21 2yuy n GLU 45 Ca 0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.16 2yuy n GLU 45 Cb 0.54 -0.01 -0.02 0.00 -0.02 0.00 0.00 31.44 31.92 2yuy n GLU 45 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2yuy s ASN 46 N -5.02 -0.00 0.02 1.62 2.20 -1.26 -5.16 114.94 107.33 2yuy s ASN 46 Ca 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 52.86 51.93 2yuy s ASN 46 Cb 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 41.25 39.24 2yuy s ASN 46 CO 0.00 -0.00 -0.03 -0.83 -2.94 0.00 0.00 177.10 173.30 2yuy s GLY 47 N -1.78 0.21 0.22 0.45 0.00 -1.26 -5.15 107.32 100.01 2yuy s GLY 47 Ca 0.11 -0.41 -0.08 0.00 0.00 0.00 0.00 44.72 44.35 2yuy s GLY 47 CO -0.04 -0.44 0.51 0.21 0.00 0.00 0.00 173.10 173.34 2yuy s ASN 48 N -0.92 6.56 0.06 1.64 2.47 -1.26 -5.09 114.94 118.40 2yuy s ASN 48 Ca -0.09 0.80 0.08 0.00 0.42 0.00 0.00 52.86 54.07 2yuy s ASN 48 Cb -0.06 -2.18 -0.03 0.00 -1.45 0.00 0.00 41.25 37.52 2yuy s ASN 48 CO -0.00 -0.07 -0.18 -0.60 -3.72 0.00 0.00 177.10 172.52 2yuy s ARG 49 N -2.92 1.99 0.00 0.43 3.52 -1.26 -5.13 118.95 115.58 2yuy s ARG 49 Ca 0.45 -1.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 2yuy s ARG 49 Cb -0.11 -2.16 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 2yuy s ARG 49 CO 0.24 0.52 0.00 0.41 -0.81 0.00 0.00 175.30 175.66 2yuy n GLY 50 N 1.38 2.74 0.04 8.12 0.00 -1.26 -5.09 105.19 111.12 2yuy n GLY 50 Ca -0.16 -1.79 -0.03 0.00 0.00 0.00 0.00 46.02 44.04 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 5.00 -0.69 3.63 -0.02 0.00 -1.26 -4.91 105.19 106.94 2yuy n GLY 51 Ca 0.00 -0.10 -0.50 0.00 0.00 0.00 0.00 46.02 45.42 2yuy n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yuy n LYS 52 N -3.39 1.51 -4.40 1.61 3.00 -1.26 -4.96 118.16 110.27 2yuy n LYS 52 Ca -0.04 0.55 -0.25 0.00 -0.00 0.00 0.00 58.31 58.57 2yuy n LYS 52 Cb 0.15 -2.24 -0.10 0.00 0.00 0.00 0.00 35.03 32.84 2yuy n LYS 52 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2yuy s GLN 53 N 1.02 1.83 0.72 1.64 -0.21 -1.26 -5.10 119.66 118.30 2yuy s GLN 53 Ca 0.84 -1.57 -0.17 0.00 0.02 0.00 0.00 55.36 54.48 2yuy s GLN 53 Cb -0.87 -1.92 -0.15 0.00 1.00 0.00 0.00 33.01 31.08 2yuy s GLN 53 CO 0.46 0.37 -0.43 2.89 -2.12 0.00 0.00 175.29 176.45 2yuy n ARG 54 N -0.39 0.00 -2.97 2.91 1.85 -1.26 -4.98 116.66 111.82 2yuy n ARG 54 Ca -0.08 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.79 2yuy n ARG 54 Cb 0.58 -0.97 -0.00 0.00 -1.05 0.00 0.00 32.46 31.02 2yuy n ARG 54 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2yuy s ASN 55 N -0.97 -0.81 -0.02 2.89 2.47 -1.26 -5.16 114.94 112.08 2yuy s ASN 55 Ca 0.47 -0.35 -0.30 0.00 0.42 0.00 0.00 52.86 53.11 2yuy s ASN 55 Cb -0.34 1.09 0.12 0.00 -1.45 0.00 0.00 41.25 40.67 2yuy s ASN 55 CO 0.72 -0.10 1.29 -0.13 -3.72 0.00 0.00 177.10 175.17 2yuy s ARG 56 N 2.04 0.38 -1.00 0.43 1.81 -1.26 -5.08 118.95 116.27 2yuy s ARG 56 Ca 0.16 -0.22 -0.20 0.00 -1.72 0.00 0.00 55.73 53.75 2yuy s ARG 56 Cb -0.00 0.13 0.10 0.00 -0.45 0.00 0.00 34.95 34.73 2yuy s ARG 56 CO -0.13 -0.18 1.30 -0.51 -0.68 0.00 0.00 175.30 175.10 2yuy s LEU 57 N -3.06 4.42 0.21 2.53 1.43 -1.26 -4.99 118.68 117.95 2yuy s LEU 57 Ca 0.16 -1.91 0.02 0.00 -1.03 0.00 0.00 54.13 51.37 2yuy s LEU 57 Cb 0.05 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 2yuy s LEU 57 CO -0.04 -1.21 0.36 -1.61 0.23 0.00 0.00 176.35 174.08 2yuy s GLU 58 N 3.54 3.47 0.00 1.70 2.02 -1.26 -5.12 118.70 123.05 2yuy s GLU 58 Ca 0.39 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.84 2yuy s GLU 58 Cb -0.02 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.33 2yuy s GLU 58 CO -0.08 0.42 0.00 -0.35 0.02 0.00 0.00 175.26 175.27 2yuy n PRO 59 N -0.95 0.88 -3.56 0.39 -0.04 -1.26 -5.11 135.00 125.35 2yuy n PRO 59 Ca -0.07 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.21 2yuy n PRO 59 Cb 0.55 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.10 1.16 -3.15 0.54 2.81 -1.26 -5.01 117.12 112.11 2yuy n MET 60 Ca 0.00 -2.18 0.05 0.00 -1.81 0.00 0.00 57.70 53.76 2yuy n MET 60 Cb 0.00 0.70 -0.01 0.00 -0.71 0.00 0.00 33.22 33.20 2yuy n MET 60 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2yuy s ASP 61 N -2.63 -0.75 0.00 7.83 1.11 -1.26 -4.42 116.67 116.54 2yuy s ASP 61 Ca 0.03 0.31 0.25 0.00 0.18 0.00 0.00 52.55 53.31 2yuy s ASP 61 Cb 0.00 1.57 0.47 0.00 1.07 0.00 0.00 42.92 46.03 2yuy s ASP 61 CO 0.02 -0.14 1.39 0.41 1.18 0.00 0.00 175.17 178.02 2yuy n THR 62 N 5.36 0.00 -1.58 -1.27 -1.04 -1.26 -4.91 114.28 109.59 2yuy n THR 62 Ca -0.00 -0.09 0.04 0.00 -2.04 0.00 0.00 64.05 61.96 2yuy n THR 62 Cb 0.54 0.53 -0.02 0.00 -1.82 0.00 0.00 70.33 69.56 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 -0.91 -2.48 -3.58 12.58 -0.00 -1.26 -2.19 119.36 121.53 2yuy n ILE 63 Ca 0.09 1.36 -0.14 0.00 -0.00 0.00 0.00 62.75 64.06 2yuy n ILE 63 Cb 0.36 -2.23 -0.06 0.00 -0.00 0.00 0.00 39.64 37.71 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 -5.19 -0.62 0.32 1.39 0.08 -1.23 -2.75 117.98 109.98 2yuy s PHE 64 Ca 0.00 1.28 -0.28 0.00 0.12 0.00 0.00 56.93 58.05 2yuy s PHE 64 Cb 0.00 0.37 -0.09 0.00 -0.57 0.00 0.00 43.02 42.73 2yuy s PHE 64 CO 0.00 -0.45 1.10 0.08 -0.10 0.00 0.00 175.22 175.85 2yuy s VAL 65 N -0.53 3.49 -0.11 -0.44 1.01 -0.84 -1.28 120.40 121.69 2yuy s VAL 65 Ca -0.04 1.39 0.09 0.00 0.00 0.00 0.00 61.98 63.42 2yuy s VAL 65 Cb -0.02 -3.84 -0.14 0.00 0.00 0.00 0.00 36.38 32.38 2yuy s VAL 65 CO 0.04 0.25 0.03 1.17 0.00 0.00 0.00 175.10 176.59 2yuy n LYS 66 N 0.79 2.02 -3.92 2.72 0.00 -0.18 -2.49 118.16 117.10 2yuy n LYS 66 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.20 2yuy n LYS 66 Cb 0.46 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 34.20 2yuy n LYS 66 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2yuy s GLN 67 N -2.28 2.18 -0.29 1.64 -2.07 -1.25 -4.90 119.66 112.69 2yuy s GLN 67 Ca -0.07 -1.63 -0.14 0.00 -1.82 0.00 0.00 55.36 51.70 2yuy s GLN 67 Cb 0.03 0.56 0.10 0.00 -1.09 0.00 0.00 33.01 32.61 2yuy s GLN 67 CO 0.46 -0.98 0.70 0.08 -1.32 0.00 0.00 175.29 174.22 2yuy s VAL 68 N -2.41 -0.28 -0.26 3.63 1.01 -1.26 -2.98 120.40 117.86 2yuy s VAL 68 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 2yuy s VAL 68 Cb -0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2yuy s VAL 68 CO 0.16 0.00 1.64 -0.75 0.00 0.00 0.00 175.10 176.15 2yuy s LYS 69 N 1.98 3.68 -0.59 2.72 2.47 -0.46 -4.90 119.74 124.65 2yuy s LYS 69 Ca -0.09 1.56 -0.26 0.00 -1.56 0.00 0.00 55.97 55.62 2yuy s LYS 69 Cb -0.07 -4.07 -0.05 0.00 -1.46 0.00 0.00 37.83 32.18 2yuy s LYS 69 CO -0.19 -1.43 2.12 -2.00 0.16 0.00 0.00 175.35 174.01 2yuy s GLU 70 N 4.90 2.34 0.00 4.03 2.12 -1.26 -1.36 118.70 129.46 2yuy s GLU 70 Ca 0.72 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.92 2yuy s GLU 70 Cb -0.24 -4.54 0.00 0.00 0.26 0.00 0.00 34.13 29.62 2yuy s GLU 70 CO 0.30 -3.11 0.00 0.41 -0.54 0.00 0.00 175.26 172.33 2yuy n GLY 71 N 5.97 1.85 0.00 -1.50 0.00 -1.26 -5.13 105.19 105.11 2yuy n GLY 71 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.47 5.28 0.08 -0.02 0.00 -0.46 -5.00 105.19 104.59 2yuy n GLY 72 Ca 0.00 -2.04 -0.02 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.15 -0.94 1.61 0.13 -1.85 -2.73 132.00 128.06 2yuy h PRO 73 Ca 0.00 0.01 0.28 0.00 -0.87 0.00 0.00 66.00 65.42 2yuy h PRO 73 Cb 0.00 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 31.00 2yuy h PRO 73 CO 0.00 -0.10 0.19 0.00 -0.23 0.00 0.00 178.00 177.85 2yuy h ALA 74 N -1.56 1.35 0.24 -0.56 0.00 -1.86 1.09 119.26 117.96 2yuy h ALA 74 Ca -0.02 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2yuy h ALA 74 Cb 0.12 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2yuy h ALA 74 CO 0.03 -0.58 -0.30 0.35 0.00 0.00 0.00 179.25 178.75 2yuy h PHE 75 N 0.09 -0.80 -0.27 0.00 3.57 -1.73 0.70 116.94 118.50 2yuy h PHE 75 Ca 0.61 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 62.10 2yuy h PHE 75 Cb 1.32 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 40.37 2yuy h PHE 75 CO -0.33 -0.42 0.10 0.93 -2.23 0.00 0.00 178.31 176.36 2yuy h GLU 76 N -0.59 0.42 -0.51 1.11 4.39 -0.02 -1.72 114.58 117.65 2yuy h GLU 76 Ca -0.00 -0.08 0.15 0.00 0.34 0.00 0.00 59.36 59.77 2yuy h GLU 76 Cb 0.57 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 2yuy h GLU 76 CO -0.09 0.46 0.70 0.00 -1.16 0.00 0.00 179.01 178.91 2yuy h ALA 77 N 0.94 2.25 0.00 3.43 0.00 0.12 -3.43 119.26 122.57 2yuy h ALA 77 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2yuy h ALA 77 Cb 0.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2yuy h ALA 77 CO -0.01 -0.96 0.00 0.41 0.00 0.00 0.00 179.25 178.70 2yuy n GLY 78 N -1.52 1.16 3.80 0.00 0.00 -0.65 -4.76 105.19 103.23 2yuy n GLY 78 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2yuy n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yuy s LEU 79 N 0.00 2.08 0.00 0.99 2.96 0.24 -4.99 118.68 119.95 2yuy s LEU 79 Ca 0.00 0.92 0.00 0.00 -0.22 0.00 0.00 54.13 54.83 2yuy s LEU 79 Cb 0.00 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 43.44 2yuy s LEU 79 CO 0.00 -2.48 0.00 0.00 -1.32 0.00 0.00 176.35 172.55 2yuy s THR 81 N -2.57 4.74 0.00 0.00 2.01 -1.26 -4.37 115.64 114.20 2yuy s THR 81 Ca 0.00 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.19 2yuy s THR 81 Cb 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.16 2yuy s THR 81 CO 0.00 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 2yuy n GLY 82 N 0.04 3.06 3.75 4.40 0.00 -1.04 -4.96 105.19 110.45 2yuy n GLY 82 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.73 6.50 0.13 1.61 1.11 -1.26 -4.72 116.67 119.31 2yuy s ASP 83 Ca 0.00 2.84 -0.06 0.00 0.18 0.00 0.00 52.55 55.52 2yuy s ASP 83 Cb 0.00 -2.64 -0.06 0.00 1.07 0.00 0.00 42.92 41.30 2yuy s ASP 83 CO 0.00 -0.80 0.38 0.00 1.18 0.00 0.00 175.17 175.93 2yuy s ARG 84 N -0.82 3.64 -0.18 8.23 1.70 -1.26 -1.99 118.95 128.26 2yuy s ARG 84 Ca 0.59 -0.05 -0.16 0.00 -0.47 0.00 0.00 55.73 55.65 2yuy s ARG 84 Cb -0.45 -2.87 -0.04 0.00 -0.57 0.00 0.00 34.95 31.02 2yuy s ARG 84 CO 0.49 0.48 0.38 0.42 -1.08 0.00 0.00 175.30 175.99 2yuy s ILE 85 N -1.62 5.23 -0.11 4.99 -1.09 -0.93 -3.87 121.20 123.79 2yuy s ILE 85 Ca 0.40 0.69 0.02 0.00 -2.23 0.00 0.00 60.65 59.53 2yuy s ILE 85 Cb -0.12 -3.71 -0.08 0.00 -1.58 0.00 0.00 42.46 36.96 2yuy s ILE 85 CO 0.23 0.30 -0.09 2.30 -1.23 0.00 0.00 174.94 176.45 2yuy n ILE 86 N 4.07 0.67 -3.97 2.92 -5.35 0.27 -4.60 119.36 113.37 2yuy n ILE 86 Ca -0.09 -0.28 -0.09 0.00 -0.27 0.00 0.00 62.75 62.02 2yuy n ILE 86 Cb 0.51 -0.90 -0.08 0.00 -1.74 0.00 0.00 39.64 37.44 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 -2.23 1.05 0.00 6.28 3.01 -1.09 -3.90 119.74 122.85 2yuy s LYS 87 Ca -0.14 -1.16 0.00 0.00 -1.01 0.00 0.00 55.97 53.65 2yuy s LYS 87 Cb 0.04 0.35 0.00 0.00 -1.01 0.00 0.00 37.83 37.21 2yuy s LYS 87 CO 0.29 -0.36 0.00 0.28 0.51 0.00 0.00 175.35 176.07 2yuy n VAL 88 N -0.16 0.00 -2.30 3.17 0.31 -1.22 0.85 118.33 118.98 2yuy n VAL 88 Ca -0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.87 2yuy n VAL 88 Cb 0.63 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.58 2yuy n VAL 88 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2yuy n ASN 89 N 0.00 6.74 -0.16 4.52 0.23 -0.96 -3.09 115.26 122.53 2yuy n ASN 89 Ca 0.00 -3.77 0.00 0.00 -0.53 0.00 0.00 54.58 50.28 2yuy n ASN 89 Cb 0.00 -0.95 0.00 0.00 -2.08 0.00 0.00 39.78 36.75 2yuy n ASN 89 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2yuy n GLY 90 N -0.37 0.95 2.70 4.83 0.00 -1.26 -4.99 105.19 107.04 2yuy n GLY 90 Ca 0.47 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.14 0.56 -0.02 1.61 0.41 -1.26 -5.10 118.70 111.76 2yuy s GLU 91 Ca 0.00 -0.52 -0.31 0.00 -0.41 0.00 0.00 54.97 53.74 2yuy s GLU 91 Cb 0.00 -1.96 -0.09 0.00 -1.78 0.00 0.00 34.13 30.30 2yuy s GLU 91 CO 0.00 -0.75 1.98 0.43 -0.49 0.00 0.00 175.26 176.43 2yuy n SER 92 N 5.06 3.92 -2.41 -0.19 7.64 -1.26 -3.43 113.62 122.94 2yuy n SER 92 Ca -0.07 0.85 -0.22 0.00 1.01 0.00 0.00 58.87 60.45 2yuy n SER 92 Cb 0.46 -1.49 -0.11 0.00 -1.01 0.00 0.00 64.21 62.06 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 5.67 3.43 -3.66 0.44 0.24 -1.25 -4.86 118.33 118.34 2yuy n VAL 93 Ca 0.22 -2.24 -0.37 0.00 -2.04 0.00 0.00 64.34 59.90 2yuy n VAL 93 Cb 0.38 -1.98 -0.12 0.00 -1.47 0.00 0.00 33.84 30.65 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 0.15 4.88 -0.14 1.34 -1.09 -1.26 -4.45 121.20 120.63 2yuy s ILE 94 Ca 0.64 0.01 -0.00 0.00 -2.23 0.00 0.00 60.65 59.07 2yuy s ILE 94 Cb 0.31 -3.32 -0.00 0.00 -1.58 0.00 0.00 42.46 37.87 2yuy s ILE 94 CO -0.07 0.28 0.12 0.61 -1.23 0.00 0.00 174.94 174.64 2yuy n GLY 95 N 5.00 0.50 3.37 6.18 0.00 -1.26 -5.08 105.19 113.90 2yuy n GLY 95 Ca -0.15 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 2yuy n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuy s LYS 96 N -3.69 1.45 -0.35 1.61 1.02 -1.26 -5.08 119.74 113.43 2yuy s LYS 96 Ca 0.03 -1.75 0.14 0.00 0.02 0.00 0.00 55.97 54.41 2yuy s LYS 96 Cb -0.00 -0.79 0.45 0.00 -0.52 0.00 0.00 37.83 36.97 2yuy s LYS 96 CO 0.09 -0.08 1.00 -2.37 -0.92 0.00 0.00 175.35 173.07 2yuy n THR 97 N -0.51 1.41 0.00 2.17 5.66 -1.26 -4.52 114.28 117.23 2yuy n THR 97 Ca -0.05 -3.61 0.00 0.00 -3.05 0.00 0.00 64.05 57.34 2yuy n THR 97 Cb 0.64 0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 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 -0.19 0.00 -0.34 1.09 9.36 -1.26 -4.23 117.16 121.59 2yuy n TYR 98 Ca 0.18 0.00 0.35 0.00 3.32 0.00 0.00 57.90 61.75 2yuy n TYR 98 Cb 0.77 0.00 0.73 0.00 -0.63 0.00 0.00 39.34 40.21 2yuy n TYR 98 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2yuy h SER 99 N 0.00 0.05 0.11 2.98 0.87 -1.98 1.41 113.55 116.99 2yuy h SER 99 Ca 0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2yuy h SER 99 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2yuy h SER 99 CO 0.00 0.00 -0.05 1.56 -0.53 0.00 0.00 176.83 177.81 2yuy h GLN 100 N 0.04 -0.15 -0.98 2.24 1.08 -1.95 -3.16 115.11 112.23 2yuy h GLN 100 Ca 0.59 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.95 2yuy h GLN 100 Cb 2.26 0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 29.63 2yuy h GLN 100 CO -0.04 -0.10 0.60 -0.39 -0.95 0.00 0.00 178.83 177.94 2yuy h VAL 101 N -0.58 0.81 -0.68 -0.54 -1.51 -1.64 0.09 116.25 112.21 2yuy h VAL 101 Ca -0.02 -0.29 0.14 0.00 -1.23 0.00 0.00 66.70 65.30 2yuy h VAL 101 Cb 0.12 -0.12 -0.13 0.00 -2.13 0.00 0.00 31.29 29.03 2yuy h VAL 101 CO 0.03 0.16 -0.13 0.40 -1.23 0.00 0.00 177.57 176.79 2yuy h ILE 102 N 0.86 0.34 -0.72 7.19 1.08 0.18 0.59 117.51 127.03 2yuy h ILE 102 Ca 0.52 -0.01 0.08 0.00 -0.39 0.00 0.00 64.86 65.07 2yuy h ILE 102 Cb 0.66 0.32 -0.07 0.00 -3.07 0.00 0.00 36.82 34.67 2yuy h ILE 102 CO -0.32 0.00 0.39 0.00 -0.69 0.00 0.00 178.15 177.53 2yuy h ALA 103 N 1.67 0.99 -0.88 1.87 0.00 -0.94 0.18 119.26 122.15 2yuy h ALA 103 Ca 0.33 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.44 2yuy h ALA 103 Cb 0.52 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 2yuy h ALA 103 CO -0.67 0.02 0.57 -0.07 0.00 0.00 0.00 179.25 179.10 2yuy h LEU 104 N 0.68 0.57 -0.40 0.00 3.38 0.36 1.68 115.31 121.58 2yuy h LEU 104 Ca 0.34 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.17 2yuy h LEU 104 Cb 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2yuy h LEU 104 CO -0.23 0.27 -0.77 0.40 0.09 0.00 0.00 178.44 178.20 2yuy h ILE 105 N 0.60 1.42 0.00 1.22 2.04 0.38 -2.88 117.51 120.30 2yuy h ILE 105 Ca 0.45 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 64.01 2yuy h ILE 105 Cb 0.84 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2yuy h ILE 105 CO -0.20 0.68 -0.07 1.56 0.00 0.00 0.00 178.15 180.12 2yuy h GLN 106 N 0.19 0.00 0.00 2.37 4.20 0.16 -2.99 115.11 119.04 2yuy h GLN 106 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2yuy h GLN 106 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2yuy h GLN 106 CO 0.12 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.37 2yuy n ASN 107 N -2.58 0.77 -0.02 1.46 3.02 0.53 -3.79 115.26 114.65 2yuy n ASN 107 Ca 0.05 0.58 -0.13 0.00 -0.03 0.00 0.00 54.58 55.05 2yuy n ASN 107 Cb 0.47 -0.78 -0.07 0.00 -0.61 0.00 0.00 39.78 38.79 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 0.00 -1.48 0.00 6.41 4.64 -1.45 -3.44 113.55 118.24 2yuy h SER 108 Ca 0.00 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2yuy h SER 108 Cb 0.70 0.60 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2yuy h SER 108 CO 0.00 -0.44 0.00 -0.67 -0.87 0.00 0.00 176.83 174.85 2yuy n ASP 109 N -5.43 0.00 -0.05 4.97 2.03 -1.25 -3.41 116.55 113.41 2yuy n ASP 109 Ca -0.04 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.23 2yuy n ASP 109 Cb 0.37 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.75 2yuy n ASP 109 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2yuy n THR 110 N 0.00 0.96 -4.34 5.18 -1.04 -1.26 -4.74 114.28 109.03 2yuy n THR 110 Ca 0.00 0.29 -0.23 0.00 -2.04 0.00 0.00 64.05 62.07 2yuy n THR 110 Cb 0.00 -2.08 -0.13 0.00 -1.82 0.00 0.00 70.33 66.30 2yuy n THR 110 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2yuy s THR 111 N -2.01 1.58 -0.18 12.58 -4.23 -1.22 -0.92 115.64 121.25 2yuy s THR 111 Ca -0.14 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 2yuy s THR 111 Cb 0.02 -1.43 0.03 0.00 1.34 0.00 0.00 72.50 72.46 2yuy s THR 111 CO 0.20 -0.02 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.90 2yuy s LEU 112 N -1.69 2.13 -0.04 4.79 1.98 0.48 -4.41 118.68 121.92 2yuy s LEU 112 Ca 0.05 -0.73 -0.05 0.00 -2.89 0.00 0.00 54.13 50.51 2yuy s LEU 112 Cb -0.10 -1.30 -0.04 0.00 0.66 0.00 0.00 46.19 45.41 2yuy s LEU 112 CO 0.03 -0.08 0.19 -0.70 -1.89 0.00 0.00 176.35 173.90 2yuy s GLU 113 N 1.38 3.48 0.16 1.98 2.12 -1.26 0.17 118.70 126.73 2yuy s GLU 113 Ca 0.02 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.16 2yuy s GLU 113 Cb -0.15 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2yuy s GLU 113 CO -0.10 0.70 0.04 -0.51 -0.54 0.00 0.00 175.26 174.86 2yuy s LEU 114 N -1.59 1.85 -0.06 2.70 1.43 0.36 -2.27 118.68 121.10 2yuy s LEU 114 Ca 0.23 -1.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.09 2yuy s LEU 114 Cb -0.13 0.16 0.04 0.00 0.03 0.00 0.00 46.19 46.30 2yuy s LEU 114 CO 0.13 -0.68 0.11 -0.44 0.23 0.00 0.00 176.35 175.71 2yuy s SER 115 N -3.11 0.33 0.00 2.29 0.01 0.25 0.13 113.70 113.59 2yuy s SER 115 Ca 0.26 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2yuy s SER 115 Cb 0.07 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2yuy s SER 115 CO 0.04 -0.18 0.00 1.33 0.41 0.00 0.00 173.24 174.83 2yuy n VAL 116 N 4.65 0.00 -3.36 3.43 0.24 -0.49 0.98 118.33 123.78 2yuy n VAL 116 Ca -0.18 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 61.94 2yuy n VAL 116 Cb 0.51 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.80 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 -1.17 0.65 0.50 7.34 -1.94 -1.25 -3.53 119.30 119.90 2yuy s MET 117 Ca 0.00 -0.93 -0.20 0.00 -1.71 0.00 0.00 55.69 52.85 2yuy s MET 117 Cb 0.00 -0.77 -0.08 0.00 2.01 0.00 0.00 34.83 35.99 2yuy s MET 117 CO 0.00 -1.20 1.04 -1.25 -0.01 0.00 0.00 175.02 173.59 2yuy s PRO 118 N 1.36 3.75 0.19 2.03 0.04 -1.26 -4.84 135.00 136.28 2yuy s PRO 118 Ca 0.17 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.62 2yuy s PRO 118 Cb -0.16 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2yuy s PRO 118 CO -0.02 -0.47 0.09 0.15 0.04 0.00 0.00 177.00 176.79 2yuy s LYS 119 N -3.33 2.69 -0.15 4.56 -0.14 -1.26 -5.04 119.74 117.07 2yuy s LYS 119 Ca 0.67 -1.03 -0.03 0.00 -1.36 0.00 0.00 55.97 54.21 2yuy s LYS 119 Cb -0.16 -2.49 -0.08 0.00 -1.68 0.00 0.00 37.83 33.42 2yuy s LYS 119 CO 0.22 0.45 -0.16 -0.25 -0.76 0.00 0.00 175.35 174.84 2yuy n ASP 120 N -0.49 1.98 0.00 2.83 9.92 -1.26 -4.74 116.55 124.80 2yuy n ASP 120 Ca -0.08 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 2yuy n ASP 120 Cb 0.56 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 2yuy n ASP 120 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2yuy n SER 121 N -3.30 0.00 -1.29 -2.24 7.64 -1.26 -4.40 113.62 108.77 2yuy n SER 121 Ca -0.28 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.60 2yuy n SER 121 Cb 0.74 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 2yuy n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuy n GLY 122 N 0.00 3.82 2.48 0.23 0.00 -1.26 -4.98 105.19 105.48 2yuy n GLY 122 Ca 0.00 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 2yuy n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yuy n PRO 123 N -0.30 2.76 -3.38 1.61 -0.04 -1.26 -4.58 135.00 129.80 2yuy n PRO 123 Ca 0.00 -1.76 -0.20 0.00 -0.04 0.00 0.00 63.50 61.51 2yuy n PRO 123 Cb 0.00 -2.59 -0.09 0.00 -0.04 0.00 0.00 33.50 30.79 2yuy n PRO 123 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2yuy s SER 124 N 2.87 1.55 0.78 3.54 0.01 -1.26 -5.14 113.70 116.04 2yuy s SER 124 Ca 0.52 -1.71 -0.11 0.00 1.31 0.00 0.00 55.95 55.97 2yuy s SER 124 Cb 0.14 0.36 0.06 0.00 0.21 0.00 0.00 66.02 66.78 2yuy s SER 124 CO -0.04 -0.27 1.10 -0.94 0.41 0.00 0.00 173.24 173.50 2yuy s SER 125 N 1.36 4.37 0.00 2.44 1.04 -1.26 -4.75 113.70 116.89 2yuy s SER 125 Ca 0.17 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.50 2yuy s SER 125 Cb -0.17 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2yuy s SER 125 CO -0.03 -2.13 0.00 0.61 0.98 0.00 0.00 173.24 172.68