#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m9p h LYS 10 N 0.00 0.33 -6.22 0.00 3.64 -2.03 -3.42 116.57 108.88 3m9p h LYS 10 Ca 0.00 -0.15 -0.58 0.00 -1.27 0.00 0.00 60.65 58.65 3m9p h LYS 10 Cb 0.00 -0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 31.64 3m9p h LYS 10 CO 0.00 0.66 -0.79 -0.06 -2.27 0.00 0.00 179.45 176.98 3m9p s PHE 11 N -4.25 2.05 0.11 1.91 0.08 -1.26 -5.11 117.98 111.52 3m9p s PHE 11 Ca -0.05 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 56.65 3m9p s PHE 11 Cb 0.13 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 3m9p s PHE 11 CO 0.78 0.44 -0.17 -3.38 -0.10 0.00 0.00 175.22 172.79 3m9p s HIS 12 N -1.98 1.56 0.22 0.36 -3.43 -1.26 -5.03 115.29 105.74 3m9p s HIS 12 Ca 0.19 -0.48 -0.31 0.00 -0.80 0.00 0.00 55.06 53.67 3m9p s HIS 12 Cb -0.06 -0.83 -0.14 0.00 -1.43 0.00 0.00 32.58 30.11 3m9p s HIS 12 CO 0.09 0.18 1.22 0.43 -2.00 0.00 0.00 174.74 174.66 3m9p n SER 13 N 0.81 1.87 0.00 7.38 7.64 -1.26 -1.15 113.62 128.91 3m9p n SER 13 Ca -0.17 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.86 3m9p n SER 13 Cb 0.55 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 3m9p n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m9p n GLY 14 N 1.86 3.20 3.74 0.23 0.00 0.07 -5.00 105.19 109.28 3m9p n GLY 14 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3m9p n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m9p s GLU 15 N -0.41 4.23 -0.05 1.61 2.12 -0.30 -4.66 118.70 121.24 3m9p s GLU 15 Ca 0.00 2.36 -0.28 0.00 0.36 0.00 0.00 54.97 57.41 3m9p s GLU 15 Cb 0.00 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 3m9p s GLU 15 CO 0.00 -0.50 0.89 0.21 -0.54 0.00 0.00 175.26 175.32 3m9p s LYS 16 N 0.01 4.49 0.29 4.30 2.20 -1.26 -0.22 119.74 129.54 3m9p s LYS 16 Ca 0.63 1.23 -0.00 0.00 -0.36 0.00 0.00 55.97 57.46 3m9p s LYS 16 Cb -0.43 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 3m9p s LYS 16 CO 0.41 -0.08 0.33 0.14 -0.36 0.00 0.00 175.35 175.79 3m9p s VAL 17 N 1.18 0.00 -0.09 4.02 -7.23 0.11 -4.34 120.40 114.04 3m9p s VAL 17 Ca 0.46 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 3m9p s VAL 17 Cb -0.19 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 3m9p s VAL 17 CO 0.23 0.00 -0.02 -0.76 -0.31 0.00 0.00 175.10 174.23 3m9p s LEU 18 N -3.23 3.43 -0.01 1.32 1.43 -0.42 0.69 118.68 121.88 3m9p s LEU 18 Ca 0.35 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 3m9p s LEU 18 Cb 0.02 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.47 3m9p s LEU 18 CO 0.19 0.34 -0.02 0.00 0.23 0.00 0.00 176.35 177.10 3m9p s PHE 20 N 0.42 2.53 -0.34 0.00 0.08 -0.18 -0.84 117.98 119.65 3m9p s PHE 20 Ca -0.04 1.39 -0.44 0.00 0.12 0.00 0.00 56.93 57.97 3m9p s PHE 20 Cb -0.07 -3.71 -0.19 0.00 -0.57 0.00 0.00 43.02 38.48 3m9p s PHE 20 CO -0.01 -2.48 1.55 -1.91 -0.10 0.00 0.00 175.22 172.27 3m9p n GLU 21 N -0.57 0.36 0.14 0.44 4.07 -0.53 -4.82 120.64 119.73 3m9p n GLU 21 Ca 0.08 0.13 0.13 0.00 -0.06 0.00 0.00 57.16 57.43 3m9p n GLU 21 Cb 0.45 -1.69 0.31 0.00 -0.06 0.00 0.00 31.44 30.45 3m9p n GLU 21 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 3m9p h PRO 22 N 5.28 0.00 -5.28 5.31 0.14 -1.92 -3.43 132.00 132.10 3m9p h PRO 22 Ca -0.46 0.00 -0.66 0.00 0.14 0.00 0.00 66.00 65.03 3m9p h PRO 22 Cb 1.36 0.00 -0.16 0.00 0.14 0.00 0.00 31.00 32.34 3m9p h PRO 22 CO 0.92 0.00 0.28 0.34 0.14 0.00 0.00 178.00 179.68 3m9p s ASP 23 N -5.02 6.25 0.51 1.44 -1.08 -1.26 -4.96 116.67 112.55 3m9p s ASP 23 Ca 0.09 -0.80 0.33 0.00 -0.52 0.00 0.00 52.55 51.64 3m9p s ASP 23 Cb 0.10 -2.35 1.46 0.00 -1.46 0.00 0.00 42.92 40.67 3m9p s ASP 23 CO 0.63 -1.10 1.80 1.55 0.52 0.00 0.00 175.17 178.57 3m9p h PRO 24 N 9.19 0.08 -0.00 4.34 0.13 -1.98 0.17 132.00 143.93 3m9p h PRO 24 Ca -0.27 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3m9p h PRO 24 Cb 1.08 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3m9p h PRO 24 CO 1.05 0.05 -0.06 0.25 -0.23 0.00 0.00 178.00 179.06 3m9p n THR 25 N -4.28 0.00 -4.04 1.56 -2.24 -1.26 -4.85 114.28 99.17 3m9p n THR 25 Ca 0.25 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.74 3m9p n THR 25 Cb 1.16 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 69.24 3m9p n THR 25 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3m9p s LYS 26 N -2.30 2.89 0.12 -0.78 -0.14 0.05 -5.06 119.74 114.52 3m9p s LYS 26 Ca 0.35 -1.10 -0.36 0.00 -1.36 0.00 0.00 55.97 53.50 3m9p s LYS 26 Cb 0.21 -2.55 -0.16 0.00 -1.68 0.00 0.00 37.83 33.65 3m9p s LYS 26 CO 0.43 0.33 1.39 0.00 -0.76 0.00 0.00 175.35 176.74 3m9p n ALA 27 N -1.23 -0.29 -1.99 5.17 0.00 -1.26 -4.84 120.51 116.07 3m9p n ALA 27 Ca -0.06 0.49 -0.39 0.00 0.00 0.00 0.00 53.44 53.48 3m9p n ALA 27 Cb 0.58 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 3m9p n ALA 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3m9p s ARG 28 N 0.51 2.70 0.26 0.00 3.52 -1.26 -4.80 118.95 119.89 3m9p s ARG 28 Ca 0.82 0.84 0.02 0.00 -0.13 0.00 0.00 55.73 57.27 3m9p s ARG 28 Cb -0.87 -4.37 -0.05 0.00 -1.56 0.00 0.00 34.95 28.10 3m9p s ARG 28 CO 0.45 -2.63 0.08 0.14 -0.81 0.00 0.00 175.30 172.53 3m9p s VAL 29 N 8.99 0.69 -0.20 7.11 -7.23 -1.26 -4.81 120.40 123.69 3m9p s VAL 29 Ca 0.72 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.86 3m9p s VAL 29 Cb -0.15 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 3m9p s VAL 29 CO 0.24 -0.04 -0.04 -0.76 -0.31 0.00 0.00 175.10 174.19 3m9p s LEU 30 N -3.34 3.04 -0.03 1.32 1.43 -1.26 -1.45 118.68 118.39 3m9p s LEU 30 Ca 0.37 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 3m9p s LEU 30 Cb 0.08 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3m9p s LEU 30 CO 0.13 0.05 0.11 -0.31 0.23 0.00 0.00 176.35 176.56 3m9p s TYR 31 N 1.09 3.38 0.23 0.29 2.02 -0.02 -4.87 117.35 119.48 3m9p s TYR 31 Ca 0.01 0.29 -0.30 0.00 -0.37 0.00 0.00 57.07 56.70 3m9p s TYR 31 Cb -0.15 -1.79 -0.10 0.00 -0.40 0.00 0.00 41.96 39.52 3m9p s TYR 31 CO 0.00 0.59 1.49 -0.51 -1.57 0.00 0.00 175.55 175.55 3m9p s ASP 32 N -1.63 6.61 0.34 2.29 1.11 -1.26 -0.62 116.67 123.51 3m9p s ASP 32 Ca 0.22 2.68 -0.10 0.00 0.18 0.00 0.00 52.55 55.52 3m9p s ASP 32 Cb -0.12 -2.62 0.02 0.00 1.07 0.00 0.00 42.92 41.28 3m9p s ASP 32 CO 0.13 -0.75 0.61 0.00 1.18 0.00 0.00 175.17 176.34 3m9p s ALA 33 N 0.31 -0.11 -0.02 5.23 0.00 0.22 -1.72 121.76 125.67 3m9p s ALA 33 Ca 0.63 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 3m9p s ALA 33 Cb -0.43 0.94 0.01 0.00 0.00 0.00 0.00 23.12 23.64 3m9p s ALA 33 CO 0.40 -0.89 0.04 0.21 0.00 0.00 0.00 175.76 175.52 3m9p s LYS 34 N -2.99 0.03 -0.22 0.00 2.20 0.17 0.04 119.74 118.97 3m9p s LYS 34 Ca 0.22 0.08 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 3m9p s LYS 34 Cb -0.03 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 3m9p s LYS 34 CO 0.14 -0.04 1.14 0.42 -0.36 0.00 0.00 175.35 176.65 3m9p s ILE 35 N 0.23 4.49 -0.20 5.43 -1.09 0.69 -1.07 121.20 129.68 3m9p s ILE 35 Ca -0.02 1.79 -0.11 0.00 -2.23 0.00 0.00 60.65 60.09 3m9p s ILE 35 Cb -0.03 -4.20 -0.20 0.00 -1.58 0.00 0.00 42.46 36.45 3m9p s ILE 35 CO -0.01 -0.21 0.10 0.52 -1.23 0.00 0.00 174.94 174.11 3m9p n VAL 36 N 5.43 1.62 -3.74 2.92 0.31 -0.27 -0.75 118.33 123.85 3m9p n VAL 36 Ca 0.13 -0.41 -0.13 0.00 -0.01 0.00 0.00 64.34 63.92 3m9p n VAL 36 Cb 0.46 -1.80 -0.10 0.00 -0.91 0.00 0.00 33.84 31.49 3m9p n VAL 36 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3m9p s ASP 37 N -6.97 -0.40 0.20 4.52 3.68 -1.20 -4.74 116.67 111.76 3m9p s ASP 37 Ca -0.29 0.74 0.08 0.00 2.13 0.00 0.00 52.55 55.20 3m9p s ASP 37 Cb 0.08 0.76 -0.04 0.00 -1.45 0.00 0.00 42.92 42.27 3m9p s ASP 37 CO 0.64 -0.17 0.01 -0.69 0.13 0.00 0.00 175.17 175.09 3m9p s VAL 38 N 0.06 3.70 -0.23 1.11 1.01 -1.26 0.46 120.40 125.25 3m9p s VAL 38 Ca -0.01 -1.53 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 3m9p s VAL 38 Cb -0.03 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.54 3m9p s VAL 38 CO 0.01 -0.18 0.54 -0.51 0.00 0.00 0.00 175.10 174.96 3m9p s ILE 39 N -1.87 -0.29 -0.15 2.22 2.07 0.54 -4.99 121.20 118.73 3m9p s ILE 39 Ca 0.28 0.06 -0.29 0.00 -1.41 0.00 0.00 60.65 59.29 3m9p s ILE 39 Cb -0.09 -0.81 -0.02 0.00 0.13 0.00 0.00 42.46 41.68 3m9p s ILE 39 CO 0.19 0.03 1.23 0.54 -1.91 0.00 0.00 174.94 175.02 3m9p s VAL 40 N 1.95 4.32 0.00 4.00 0.11 -1.26 0.32 120.40 129.83 3m9p s VAL 40 Ca -0.08 1.60 0.00 0.00 -2.93 0.00 0.00 61.98 60.57 3m9p s VAL 40 Cb -0.09 -4.03 0.00 0.00 -1.53 0.00 0.00 36.38 30.73 3m9p s VAL 40 CO -0.16 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.11 3m9p n GLY 41 N 3.53 5.05 2.84 6.54 0.00 0.87 -4.92 105.19 119.11 3m9p n GLY 41 Ca 0.13 -2.15 -0.15 0.00 0.00 0.00 0.00 46.02 43.85 3m9p n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m9p s LYS 42 N -1.28 0.02 0.99 1.61 1.02 -1.26 -1.79 119.74 119.05 3m9p s LYS 42 Ca 0.00 0.31 -0.14 0.00 0.02 0.00 0.00 55.97 56.16 3m9p s LYS 42 Cb 0.00 -0.24 0.19 0.00 -0.52 0.00 0.00 37.83 37.26 3m9p s LYS 42 CO 0.00 -0.19 1.16 0.16 -0.92 0.00 0.00 175.35 175.56 3m9p s ASP 43 N 1.28 2.77 0.58 2.83 1.47 0.19 -4.81 116.67 120.98 3m9p s ASP 43 Ca -0.07 0.79 0.33 0.00 1.18 0.00 0.00 52.55 54.78 3m9p s ASP 43 Cb -0.12 -1.21 1.80 0.00 -0.34 0.00 0.00 42.92 43.04 3m9p s ASP 43 CO -0.05 -2.99 2.19 -0.33 0.68 0.00 0.00 175.17 174.68 3m9p h GLU 44 N -1.81 0.00 -0.26 2.11 3.07 -2.01 0.70 114.58 116.38 3m9p h GLU 44 Ca -0.49 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.28 3m9p h GLU 44 Cb 1.31 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.16 3m9p h GLU 44 CO 0.51 0.05 -0.07 1.63 -1.40 0.00 0.00 179.01 179.73 3m9p n LYS 45 N -3.52 2.09 -0.82 2.33 5.02 -1.26 -4.96 118.16 117.04 3m9p n LYS 45 Ca -0.02 -3.02 0.00 0.00 -2.02 0.00 0.00 58.31 53.25 3m9p n LYS 45 Cb 0.16 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 3m9p n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m9p n GLY 46 N -0.97 1.21 3.77 0.72 0.00 0.24 -4.97 105.19 105.18 3m9p n GLY 46 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 3m9p n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m9p s ARG 47 N -0.06 3.96 -0.08 1.61 0.52 -1.26 -4.64 118.95 119.00 3m9p s ARG 47 Ca 0.00 2.17 -0.30 0.00 -0.52 0.00 0.00 55.73 57.09 3m9p s ARG 47 Cb 0.00 -2.76 -0.05 0.00 0.52 0.00 0.00 34.95 32.66 3m9p s ARG 47 CO 0.00 -0.50 1.57 0.15 0.02 0.00 0.00 175.30 176.54 3m9p s LYS 48 N -2.24 4.19 -0.01 3.54 3.01 -1.26 -0.64 119.74 126.34 3m9p s LYS 48 Ca 0.57 2.07 0.04 0.00 -1.01 0.00 0.00 55.97 57.64 3m9p s LYS 48 Cb -0.38 -3.94 -0.01 0.00 -1.01 0.00 0.00 37.83 32.49 3m9p s LYS 48 CO 0.49 -0.82 -0.14 0.96 0.51 0.00 0.00 175.35 176.36 3m9p s ILE 49 N 3.92 1.07 0.30 2.17 -4.36 -0.74 -4.93 121.20 118.62 3m9p s ILE 49 Ca 0.69 -0.60 -0.27 0.00 -0.26 0.00 0.00 60.65 60.21 3m9p s ILE 49 Cb -0.31 -0.89 -0.10 0.00 1.25 0.00 0.00 42.46 42.41 3m9p s ILE 49 CO 0.26 0.28 0.96 -2.16 0.24 0.00 0.00 174.94 174.52 3m9p s PRO 50 N -0.36 4.66 0.07 0.37 0.04 -1.26 -0.09 135.00 138.42 3m9p s PRO 50 Ca 0.05 1.42 0.09 0.00 0.04 0.00 0.00 61.00 62.60 3m9p s PRO 50 Cb -0.05 -2.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 3m9p s PRO 50 CO -0.00 0.33 -0.24 -1.21 0.04 0.00 0.00 177.00 175.91 3m9p s GLU 51 N -1.76 1.75 -0.10 4.56 2.02 0.15 -4.19 118.70 121.13 3m9p s GLU 51 Ca 0.47 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 54.32 3m9p s GLU 51 Cb -0.22 -2.01 0.02 0.00 0.10 0.00 0.00 34.13 32.02 3m9p s GLU 51 CO 0.28 0.50 -0.08 0.71 0.02 0.00 0.00 175.26 176.68 3m9p s TYR 52 N -0.91 1.41 -0.17 1.61 2.02 -0.82 -0.34 117.35 120.14 3m9p s TYR 52 Ca 0.13 -0.64 -0.23 0.00 -0.37 0.00 0.00 57.07 55.97 3m9p s TYR 52 Cb -0.10 -1.14 -0.02 0.00 -0.40 0.00 0.00 41.96 40.29 3m9p s TYR 52 CO 0.04 -0.43 0.71 -1.17 -1.57 0.00 0.00 175.55 173.13 3m9p s LEU 53 N 1.40 4.18 -0.07 -1.29 2.96 0.17 -1.06 118.68 124.98 3m9p s LEU 53 Ca -0.01 1.00 0.05 0.00 -0.22 0.00 0.00 54.13 54.95 3m9p s LEU 53 Cb -0.13 -3.04 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 3m9p s LEU 53 CO -0.05 -0.30 -0.23 0.27 -1.32 0.00 0.00 176.35 174.73 3m9p s ILE 54 N 1.86 2.24 -0.20 6.68 -5.25 0.36 -1.11 121.20 125.78 3m9p s ILE 54 Ca 0.33 -0.99 -0.09 0.00 -0.99 0.00 0.00 60.65 58.91 3m9p s ILE 54 Cb -0.16 -1.84 -0.04 0.00 2.95 0.00 0.00 42.46 43.37 3m9p s ILE 54 CO 0.12 0.57 0.10 -2.28 -1.79 0.00 0.00 174.94 171.65 3m9p s HIS 55 N -0.12 3.31 -0.46 1.37 5.65 -0.23 -1.66 115.29 123.16 3m9p s HIS 55 Ca -0.04 0.17 -0.20 0.00 0.25 0.00 0.00 55.06 55.24 3m9p s HIS 55 Cb -0.14 -2.14 0.03 0.00 -1.18 0.00 0.00 32.58 29.16 3m9p s HIS 55 CO 0.04 0.18 0.60 -0.06 -0.65 0.00 0.00 174.74 174.85 3m9p s PHE 56 N 0.49 3.08 0.04 3.88 0.08 -1.26 0.43 117.98 124.71 3m9p s PHE 56 Ca 0.05 -0.28 -0.34 0.00 0.12 0.00 0.00 56.93 56.49 3m9p s PHE 56 Cb -0.12 -3.32 -0.13 0.00 -0.57 0.00 0.00 43.02 38.88 3m9p s PHE 56 CO 0.00 -0.90 1.70 0.09 -0.10 0.00 0.00 175.22 176.02 3m9p n ASN 57 N 6.12 3.18 0.00 1.36 4.13 -0.70 -1.25 115.26 128.10 3m9p n ASN 57 Ca -0.04 1.04 0.00 0.00 1.68 0.00 0.00 54.58 57.25 3m9p n ASN 57 Cb 0.47 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.32 3m9p n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3m9p n GLY 58 N 3.83 0.31 3.66 7.41 0.00 -1.26 -4.88 105.19 114.26 3m9p n GLY 58 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3m9p n GLY 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m9p s TRP 59 N -2.01 2.92 0.64 1.61 0.52 -0.38 -5.13 118.94 117.11 3m9p s TRP 59 Ca 0.00 -0.07 -0.07 0.00 0.02 0.00 0.00 56.10 55.99 3m9p s TRP 59 Cb 0.00 -1.50 0.03 0.00 -1.15 0.00 0.00 33.47 30.85 3m9p s TRP 59 CO 0.00 0.47 0.96 0.54 0.02 0.00 0.00 176.95 178.94 3m9p s ASN 60 N -2.35 5.30 0.35 2.95 2.20 -1.26 -4.68 114.94 117.45 3m9p s ASN 60 Ca 0.25 0.67 0.19 0.00 -0.94 0.00 0.00 52.86 53.03 3m9p s ASN 60 Cb -0.11 -1.52 1.05 0.00 -2.00 0.00 0.00 41.25 38.67 3m9p s ASN 60 CO 0.17 -1.28 1.55 0.08 -2.94 0.00 0.00 177.10 174.68 3m9p h ARG 61 N -0.38 0.00 0.00 3.55 0.11 -2.00 0.22 114.38 115.88 3m9p h ARG 61 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3m9p h ARG 61 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 3m9p h ARG 61 CO 0.61 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 179.55 3m9p n SER 62 N -2.23 0.00 -0.88 0.08 3.41 -1.26 -1.71 113.62 111.03 3m9p n SER 62 Ca -0.01 -0.30 0.12 0.00 -0.26 0.00 0.00 58.87 58.42 3m9p n SER 62 Cb 0.17 -0.21 0.08 0.00 -0.26 0.00 0.00 64.21 63.99 3m9p n SER 62 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3m9p n TRP 63 N -1.21 0.00 -1.75 7.33 7.02 0.76 -4.97 117.44 124.62 3m9p n TRP 63 Ca 0.15 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.21 3m9p n TRP 63 Cb 0.18 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.05 3m9p n TRP 63 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3m9p s ASP 64 N -2.05 6.35 0.03 -0.99 1.11 -0.70 -4.80 116.67 115.63 3m9p s ASP 64 Ca 0.26 2.96 0.04 0.00 0.18 0.00 0.00 52.55 55.99 3m9p s ASP 64 Cb 0.19 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.54 3m9p s ASP 64 CO 0.34 -0.95 -0.12 -0.13 1.18 0.00 0.00 175.17 175.49 3m9p s ARG 65 N -0.21 0.79 0.05 8.23 1.81 -0.66 -4.95 118.95 124.01 3m9p s ARG 65 Ca 0.66 -0.66 -0.26 0.00 -1.72 0.00 0.00 55.73 53.75 3m9p s ARG 65 Cb -0.49 -0.75 -0.05 0.00 -0.45 0.00 0.00 34.95 33.21 3m9p s ARG 65 CO 0.45 0.18 0.82 -1.58 -0.68 0.00 0.00 175.30 174.50 3m9p s TRP 66 N -0.81 3.74 0.03 -0.53 0.52 -1.26 -0.49 118.94 120.14 3m9p s TRP 66 Ca -0.00 1.54 0.01 0.00 0.02 0.00 0.00 56.10 57.67 3m9p s TRP 66 Cb -0.07 -2.89 -0.02 0.00 -1.15 0.00 0.00 33.47 29.34 3m9p s TRP 66 CO 0.01 0.23 -0.05 0.00 0.02 0.00 0.00 176.95 177.15 3m9p s ALA 67 N 0.09 0.35 0.50 0.98 0.00 -0.22 -4.98 121.76 118.48 3m9p s ALA 67 Ca 0.41 -0.67 -0.18 0.00 0.00 0.00 0.00 51.96 51.52 3m9p s ALA 67 Cb -0.21 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.92 3m9p s ALA 67 CO 0.24 -0.08 1.00 0.00 0.00 0.00 0.00 175.76 176.92 3m9p s ALA 68 N -1.39 2.96 0.39 0.00 0.00 -1.26 -1.95 121.76 120.49 3m9p s ALA 68 Ca -0.13 0.37 0.20 0.00 0.00 0.00 0.00 51.96 52.40 3m9p s ALA 68 Cb -0.10 -3.18 1.19 0.00 0.00 0.00 0.00 23.12 21.04 3m9p s ALA 68 CO -0.00 -0.27 1.69 1.49 0.00 0.00 0.00 175.76 178.66 3m9p h GLU 69 N 1.20 0.27 -1.03 0.00 4.81 -1.94 0.12 114.58 118.01 3m9p h GLU 69 Ca -0.48 -0.02 0.30 0.00 -0.13 0.00 0.00 59.36 59.03 3m9p h GLU 69 Cb 1.20 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 3m9p h GLU 69 CO 0.60 0.18 0.78 -0.44 -0.73 0.00 0.00 179.01 179.40 3m9p h ASP 70 N 0.28 0.00 -0.08 1.04 5.19 -1.95 -2.44 116.42 118.46 3m9p h ASP 70 Ca 0.71 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.12 3m9p h ASP 70 Cb 1.88 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.39 3m9p h ASP 70 CO -0.44 0.00 0.00 1.41 -3.12 0.00 0.00 179.24 177.09 3m9p n HIS 71 N -4.11 0.08 -4.54 4.55 8.25 0.42 -4.83 115.22 115.04 3m9p n HIS 71 Ca 0.22 -0.04 -0.30 0.00 -0.26 0.00 0.00 57.72 57.34 3m9p n HIS 71 Cb 1.13 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 32.07 3m9p n HIS 71 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3m9p s VAL 72 N -1.92 1.70 -0.03 1.59 1.01 -0.92 -1.01 120.40 120.81 3m9p s VAL 72 Ca 0.30 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3m9p s VAL 72 Cb 0.20 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3m9p s VAL 72 CO 0.30 0.48 -0.14 -0.76 0.00 0.00 0.00 175.10 174.98 3m9p s LEU 73 N 0.92 2.74 0.28 3.92 1.43 0.13 -4.98 118.68 123.12 3m9p s LEU 73 Ca -0.07 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 3m9p s LEU 73 Cb -0.15 -1.57 -0.12 0.00 0.03 0.00 0.00 46.19 44.38 3m9p s LEU 73 CO -0.02 0.33 1.60 -1.14 0.23 0.00 0.00 176.35 177.35 3m9p n ARG 74 N 2.12 2.68 -2.14 1.70 3.00 -1.26 -1.30 116.66 121.46 3m9p n ARG 74 Ca -0.17 0.96 -0.30 0.00 -0.00 0.00 0.00 57.85 58.34 3m9p n ARG 74 Cb 0.52 -2.74 -0.05 0.00 0.00 0.00 0.00 32.46 30.19 3m9p n ARG 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3m9p s ASP 75 N 0.56 5.30 0.20 6.15 -1.08 -1.26 -4.69 116.67 121.86 3m9p s ASP 75 Ca 0.65 -1.61 0.09 0.00 -0.52 0.00 0.00 52.55 51.16 3m9p s ASP 75 Cb -0.50 -2.58 -0.05 0.00 -1.46 0.00 0.00 42.92 38.33 3m9p s ASP 75 CO 0.47 -2.76 -0.17 0.28 0.52 0.00 0.00 175.17 173.51 3m9p s THR 76 N 9.91 1.89 0.27 1.71 -1.32 -1.26 -5.02 115.64 121.81 3m9p s THR 76 Ca 0.66 -2.15 -0.01 0.00 -1.21 0.00 0.00 61.69 58.98 3m9p s THR 76 Cb -0.01 -2.02 0.26 0.00 -1.51 0.00 0.00 72.50 69.21 3m9p s THR 76 CO 0.10 -0.47 1.83 0.44 -2.21 0.00 0.00 174.62 174.30 3m9p h ASP 77 N 2.74 0.83 0.66 8.08 3.45 -1.99 -1.40 116.42 128.78 3m9p h ASP 77 Ca -0.40 0.05 -0.15 0.00 0.43 0.00 0.00 57.03 56.96 3m9p h ASP 77 Cb 1.22 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.86 3m9p h ASP 77 CO 0.58 0.45 -0.70 -0.33 -1.57 0.00 0.00 179.24 177.67 3m9p h GLU 78 N 0.92 0.04 0.00 3.56 4.39 -1.95 -1.02 114.58 120.51 3m9p h GLU 78 Ca 0.46 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 60.05 3m9p h GLU 78 Cb 0.43 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3m9p h GLU 78 CO -0.26 0.72 -0.45 -0.91 -1.16 0.00 0.00 179.01 176.96 3m9p h ASN 79 N 0.03 0.00 0.04 1.42 2.35 -1.76 -2.43 115.58 115.22 3m9p h ASN 79 Ca -0.01 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 3m9p h ASN 79 Cb 1.24 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.63 3m9p h ASN 79 CO 0.09 0.32 -0.61 0.03 -1.65 0.00 0.00 177.43 175.62 3m9p h ARG 80 N 0.00 0.34 -0.98 0.81 2.47 -1.05 -0.05 114.38 115.91 3m9p h ARG 80 Ca -0.02 -0.42 0.14 0.00 -1.26 0.00 0.00 59.98 58.42 3m9p h ARG 80 Cb 1.26 0.13 -0.09 0.00 -1.65 0.00 0.00 29.97 29.63 3m9p h ARG 80 CO 0.04 1.12 0.62 0.00 0.56 0.00 0.00 179.97 182.31 3m9p h ARG 81 N -0.26 0.87 -0.04 0.04 3.08 -1.19 -1.25 114.38 115.63 3m9p h ARG 81 Ca -0.09 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.73 3m9p h ARG 81 Cb 1.37 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3m9p h ARG 81 CO 0.12 0.58 -0.77 1.25 -1.07 0.00 0.00 179.97 180.08 3m9p h LEU 82 N 0.90 0.35 -0.45 3.04 5.85 -1.15 -2.25 115.31 121.60 3m9p h LEU 82 Ca 0.50 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 59.01 3m9p h LEU 82 Cb 0.61 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3m9p h LEU 82 CO -0.27 0.99 0.22 -0.61 -0.34 0.00 0.00 178.44 178.43 3m9p h GLN 83 N 0.19 0.43 -0.29 1.25 4.15 -0.20 -0.59 115.11 120.05 3m9p h GLN 83 Ca -0.03 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.23 3m9p h GLN 83 Cb 1.35 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 3m9p h GLN 83 CO 0.12 0.29 -0.34 0.00 -1.93 0.00 0.00 178.83 176.97 3m9p h ARG 84 N 0.45 0.63 -0.24 1.69 3.08 -1.08 -0.83 114.38 118.08 3m9p h ARG 84 Ca 0.19 -0.29 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 3m9p h ARG 84 Cb 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3m9p h ARG 84 CO -0.14 0.88 -0.46 -0.22 -1.07 0.00 0.00 179.97 178.96 3m9p h LYS 85 N 0.53 0.62 0.00 0.04 3.64 -0.94 -1.41 116.57 119.05 3m9p h LYS 85 Ca 0.06 -0.35 -0.18 0.00 -1.27 0.00 0.00 60.65 58.91 3m9p h LYS 85 Cb 0.84 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 3m9p h LYS 85 CO 0.07 0.95 -0.84 -0.07 -2.27 0.00 0.00 179.45 177.29 3m9p h LEU 86 N 0.50 0.00 -0.73 5.20 3.38 -0.92 -2.93 115.31 119.81 3m9p h LEU 86 Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3m9p h LEU 86 Cb 1.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3m9p h LEU 86 CO 0.09 0.84 -0.09 0.00 0.09 0.00 0.00 178.44 179.38 3m9p h ALA 87 N 1.16 0.93 -0.20 1.53 0.00 -0.73 -1.18 119.26 120.77 3m9p h ALA 87 Ca -0.01 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 3m9p h ALA 87 Cb 1.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3m9p h ALA 87 CO 0.11 0.63 -0.54 0.00 0.00 0.00 0.00 179.25 179.45 3m9p h ARG 88 N 0.79 0.58 0.04 0.00 3.08 -1.24 -2.41 114.38 115.21 3m9p h ARG 88 Ca 0.13 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 3m9p h ARG 88 Cb 0.60 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3m9p h ARG 88 CO 0.04 0.97 -0.02 0.87 -1.07 0.00 0.00 179.97 180.76 3m9p h LYS 89 N 0.45 -0.05 -0.13 0.04 1.57 -1.30 -2.27 116.57 114.88 3m9p h LYS 89 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3m9p h LYS 89 Cb 1.08 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3m9p h LYS 89 CO 0.10 0.18 0.00 0.00 -0.57 0.00 0.00 179.45 179.16 3m9p h ALA 90 N 0.67 1.78 0.09 3.86 0.00 -1.10 -3.17 119.26 121.39 3m9p h ALA 90 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3m9p h ALA 90 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3m9p h ALA 90 CO 0.01 0.18 -0.04 -0.39 0.00 0.00 0.00 179.25 179.00 3m9p h VAL 91 N 0.18 0.00 0.00 0.00 -1.51 -1.29 -3.52 116.25 110.11 3m9p h VAL 91 Ca 0.04 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 3m9p h VAL 91 Cb 0.12 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.28 3m9p h VAL 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34