#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sty s LEU 7 N 0.00 3.78 0.01 -5.58 1.43 -1.26 -5.05 118.68 112.00 1sty s LEU 7 Ca 0.00 1.71 -0.07 0.00 -1.03 0.00 0.00 54.13 54.74 1sty s LEU 7 Cb 0.00 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.69 1sty s LEU 7 CO 0.00 -0.59 0.14 -1.38 0.23 0.00 0.00 176.35 174.74 1sty s HIS 8 N -2.31 0.06 -0.03 0.29 -3.43 -1.26 -5.12 115.29 103.49 1sty s HIS 8 Ca 0.62 -0.18 -0.16 0.00 -0.80 0.00 0.00 55.06 54.53 1sty s HIS 8 Cb -0.11 -0.06 -0.05 0.00 -1.43 0.00 0.00 32.58 30.93 1sty s HIS 8 CO 0.22 -0.31 0.45 0.15 -2.00 0.00 0.00 174.74 173.25 1sty s LYS 9 N -1.60 4.09 0.03 -0.38 1.02 -1.26 -4.34 119.74 117.29 1sty s LYS 9 Ca -0.13 0.46 0.08 0.00 0.02 0.00 0.00 55.97 56.40 1sty s LYS 9 Cb -0.06 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 1sty s LYS 9 CO 0.01 0.52 -0.24 -1.21 -0.92 0.00 0.00 175.35 173.51 1sty s GLU 10 N -0.57 1.70 0.59 1.68 2.02 0.29 -4.94 118.70 119.47 1sty s GLU 10 Ca 0.25 -0.98 -0.18 0.00 0.02 0.00 0.00 54.97 54.07 1sty s GLU 10 Cb -0.17 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 1sty s GLU 10 CO 0.13 0.47 1.17 -1.25 0.02 0.00 0.00 175.26 175.80 1sty s PRO 11 N -1.03 3.04 0.20 0.39 0.04 -1.26 -0.70 135.00 135.68 1sty s PRO 11 Ca 0.10 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 1sty s PRO 11 Cb -0.09 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1sty s PRO 11 CO 0.01 -1.12 0.42 0.00 0.04 0.00 0.00 177.00 176.35 1sty s ALA 12 N -1.73 -0.34 -0.06 8.56 0.00 -0.89 -4.66 121.76 122.65 1sty s ALA 12 Ca 0.75 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.05 1sty s ALA 12 Cb -0.27 0.94 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 1sty s ALA 12 CO 0.32 -0.76 -0.21 0.99 0.00 0.00 0.00 175.76 176.10 1sty s THR 13 N -3.96 1.75 0.15 0.00 2.01 -0.66 -4.10 115.64 110.83 1sty s THR 13 Ca 0.17 -0.88 -0.31 0.00 0.31 0.00 0.00 61.69 60.98 1sty s THR 13 Cb 0.01 -1.50 -0.09 0.00 0.01 0.00 0.00 72.50 70.93 1sty s THR 13 CO 0.03 0.49 1.45 -0.22 -0.69 0.00 0.00 174.62 175.67 1sty s LEU 14 N 0.06 4.37 -0.13 4.42 2.96 -1.26 -0.68 118.68 128.42 1sty s LEU 14 Ca -0.07 2.46 -0.12 0.00 -0.22 0.00 0.00 54.13 56.17 1sty s LEU 14 Cb -0.14 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1sty s LEU 14 CO 0.04 -0.70 -0.24 -0.38 -1.32 0.00 0.00 176.35 173.75 1sty n ILE 15 N 3.71 1.14 -3.58 6.68 5.41 -0.13 -4.83 119.36 127.76 1sty n ILE 15 Ca 0.11 0.24 -0.14 0.00 1.00 0.00 0.00 62.75 63.96 1sty n ILE 15 Cb 0.41 -2.16 -0.06 0.00 -0.71 0.00 0.00 39.64 37.11 1sty n ILE 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1sty s LYS 16 N -2.36 0.81 0.05 0.38 -2.85 -0.92 -5.00 119.74 109.85 1sty s LYS 16 Ca -0.20 0.51 -0.26 0.00 -1.00 0.00 0.00 55.97 55.03 1sty s LYS 16 Cb 0.03 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 1sty s LYS 16 CO 0.30 -0.19 0.79 0.00 0.10 0.00 0.00 175.35 176.35 1sty s ALA 17 N -0.47 3.35 -0.27 0.59 0.00 -1.26 -0.49 121.76 123.22 1sty s ALA 17 Ca -0.04 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.11 1sty s ALA 17 Cb -0.02 -3.03 -0.11 0.00 0.00 0.00 0.00 23.12 19.95 1sty s ALA 17 CO 0.03 0.05 -0.34 -0.89 0.00 0.00 0.00 175.76 174.61 1sty n ILE 18 N 2.82 1.45 -2.28 0.00 5.41 -0.67 -4.93 119.36 121.16 1sty n ILE 18 Ca -0.02 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.36 1sty n ILE 18 Cb 0.50 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 1sty n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1sty n ASP 19 N -4.18 0.00 -0.02 4.38 5.75 -1.00 -5.01 116.55 116.47 1sty n ASP 19 Ca -0.52 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.22 1sty n ASP 19 Cb 0.87 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 41.15 1sty n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1sty h GLY 20 N 0.00 0.62 -0.02 6.12 0.00 -1.82 -3.32 103.07 104.66 1sty h GLY 20 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1sty h GLY 20 CO 0.00 0.44 0.00 2.09 0.00 0.00 0.00 176.54 179.07 1sty n ASP 21 N -4.15 1.68 -3.93 0.19 5.68 -1.26 -4.74 116.55 110.02 1sty n ASP 21 Ca 0.00 -1.67 -0.24 0.00 -0.50 0.00 0.00 54.79 52.38 1sty n ASP 21 Cb 0.38 -0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.19 1sty n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1sty s THR 22 N -0.67 0.86 0.02 2.12 2.01 -1.25 -1.17 115.64 117.56 1sty s THR 22 Ca 0.00 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1sty s THR 22 Cb 0.00 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 1sty s THR 22 CO 0.00 0.31 -0.05 0.54 -0.69 0.00 0.00 174.62 174.73 1sty s VAL 23 N 1.17 0.37 -0.17 3.82 0.11 -0.25 -1.66 120.40 123.78 1sty s VAL 23 Ca -0.06 -0.64 -0.11 0.00 -2.93 0.00 0.00 61.98 58.25 1sty s VAL 23 Cb -0.14 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 1sty s VAL 23 CO -0.02 -0.19 0.17 -0.54 -3.33 0.00 0.00 175.10 171.20 1sty s LYS 24 N -0.88 4.09 0.10 1.54 1.02 0.36 -0.22 119.74 125.74 1sty s LYS 24 Ca -0.06 -0.12 0.05 0.00 0.02 0.00 0.00 55.97 55.86 1sty s LYS 24 Cb -0.06 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 1sty s LYS 24 CO -0.00 0.37 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.16 1sty s LEU 25 N 0.15 2.37 -0.29 3.17 1.43 0.08 -0.96 118.68 124.63 1sty s LEU 25 Ca 0.11 -0.76 -0.19 0.00 -1.03 0.00 0.00 54.13 52.26 1sty s LEU 25 Cb -0.12 -0.43 -0.02 0.00 0.03 0.00 0.00 46.19 45.66 1sty s LEU 25 CO 0.01 -0.18 0.55 -0.32 0.23 0.00 0.00 176.35 176.64 1sty s MET 26 N -2.50 3.93 -0.13 1.70 -2.45 0.14 -0.86 119.30 119.15 1sty s MET 26 Ca 0.05 0.23 -0.00 0.00 -1.25 0.00 0.00 55.69 54.71 1sty s MET 26 Cb -0.05 -3.71 0.03 0.00 1.25 0.00 0.00 34.83 32.35 1sty s MET 26 CO 0.02 -0.48 -0.08 -0.47 1.05 0.00 0.00 175.02 175.06 1sty s TYR 27 N 2.43 1.61 -1.49 4.11 5.04 -0.05 -1.65 117.35 127.34 1sty s TYR 27 Ca 0.22 -0.85 -0.07 0.00 -2.44 0.00 0.00 57.07 53.92 1sty s TYR 27 Cb -0.15 -1.29 0.06 0.00 0.35 0.00 0.00 41.96 40.92 1sty s TYR 27 CO 0.11 -0.55 0.66 1.63 -1.34 0.00 0.00 175.55 176.05 1sty n LYS 28 N 4.91 -3.92 -0.31 4.97 5.02 -1.26 -1.15 118.16 126.41 1sty n LYS 28 Ca -0.13 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1sty n LYS 28 Cb 0.50 -4.94 0.00 0.00 -0.02 0.00 0.00 35.03 30.56 1sty n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sty n GLY 29 N -1.73 2.31 3.50 0.72 0.00 -1.26 -5.01 105.19 103.72 1sty n GLY 29 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1sty n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sty s GLN 30 N -0.02 3.75 0.15 1.61 2.00 -0.30 -5.08 119.66 121.76 1sty s GLN 30 Ca 0.00 -0.44 -0.31 0.00 -2.00 0.00 0.00 55.36 52.61 1sty s GLN 30 Cb 0.00 -3.27 -0.10 0.00 0.80 0.00 0.00 33.01 30.44 1sty s GLN 30 CO 0.00 -0.03 1.68 -1.25 -0.50 0.00 0.00 175.29 175.19 1sty s PRO 31 N 1.19 4.17 0.00 1.67 0.04 -1.26 -0.87 135.00 139.94 1sty s PRO 31 Ca 0.04 2.47 -0.09 0.00 0.04 0.00 0.00 61.00 63.46 1sty s PRO 31 Cb -0.14 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.09 1sty s PRO 31 CO 0.03 -0.72 0.18 -1.64 0.04 0.00 0.00 177.00 174.89 1sty s MET 32 N 1.78 0.54 -0.03 4.56 -1.94 -0.03 -4.95 119.30 119.22 1sty s MET 32 Ca 0.74 -0.36 -0.19 0.00 -1.71 0.00 0.00 55.69 54.17 1sty s MET 32 Cb -0.45 0.23 -0.05 0.00 2.01 0.00 0.00 34.83 36.57 1sty s MET 32 CO 0.33 -0.13 0.54 0.99 -0.01 0.00 0.00 175.02 176.73 1sty s THR 33 N -1.41 4.99 -0.01 2.05 2.01 -1.26 -0.74 115.64 121.27 1sty s THR 33 Ca -0.14 1.11 0.05 0.00 0.31 0.00 0.00 61.69 63.02 1sty s THR 33 Cb -0.07 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 1sty s THR 33 CO 0.02 0.42 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.84 1sty s PHE 34 N -0.14 2.61 -0.11 4.92 0.40 0.69 -0.51 117.98 125.84 1sty s PHE 34 Ca 0.29 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.43 1sty s PHE 34 Cb -0.17 -1.55 0.00 0.00 0.51 0.00 0.00 43.02 41.81 1sty s PHE 34 CO 0.15 0.19 -0.24 0.50 0.70 0.00 0.00 175.22 176.52 1sty s ARG 35 N -0.99 3.05 0.08 0.44 6.06 0.31 -1.08 118.95 126.81 1sty s ARG 35 Ca 0.13 -0.87 -0.31 0.00 -2.50 0.00 0.00 55.73 52.17 1sty s ARG 35 Cb -0.10 -2.32 -0.08 0.00 0.06 0.00 0.00 34.95 32.50 1sty s ARG 35 CO 0.02 0.15 1.61 -0.51 -2.50 0.00 0.00 175.30 174.08 1sty s LEU 36 N 0.41 4.36 0.50 -0.88 1.43 -0.32 -2.93 118.68 121.25 1sty s LEU 36 Ca -0.17 2.48 -0.23 0.00 -1.03 0.00 0.00 54.13 55.18 1sty s LEU 36 Cb -0.18 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 1sty s LEU 36 CO 0.07 -0.86 1.36 -0.76 0.23 0.00 0.00 176.35 176.39 1sty s LEU 37 N 2.32 3.96 -0.23 1.79 1.43 0.01 -3.93 118.68 124.03 1sty s LEU 37 Ca 0.72 2.76 0.00 0.00 -1.03 0.00 0.00 54.13 56.58 1sty s LEU 37 Cb -0.40 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 41.67 1sty s LEU 37 CO 0.32 -1.35 0.00 0.18 0.23 0.00 0.00 176.35 175.73 1sty n LEU 38 N -0.66 0.49 -4.24 1.79 4.77 -1.26 -4.92 117.00 112.96 1sty n LEU 38 Ca 0.08 0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 1sty n LEU 38 Cb 0.44 -2.05 -0.10 0.00 -2.33 0.00 0.00 43.42 39.38 1sty n LEU 38 CO 0.54 -0.76 -0.34 0.68 -1.33 0.00 0.00 177.39 176.18 1sty s VAL 39 N -1.43 0.73 -0.09 4.08 -7.23 -1.23 -1.35 120.40 113.88 1sty s VAL 39 Ca 0.00 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1sty s VAL 39 Cb 0.00 -2.09 0.04 0.00 0.56 0.00 0.00 36.38 34.89 1sty s VAL 39 CO 0.00 -0.51 0.08 -0.62 -0.31 0.00 0.00 175.10 173.74 1sty s ASP 40 N -3.17 1.61 0.40 4.85 2.15 0.41 -4.61 116.67 118.31 1sty s ASP 40 Ca 0.23 -0.19 -0.07 0.00 0.43 0.00 0.00 52.55 52.94 1sty s ASP 40 Cb 0.06 -0.17 -0.05 0.00 -0.30 0.00 0.00 42.92 42.46 1sty s ASP 40 CO 0.04 -0.29 0.73 0.42 -0.17 0.00 0.00 175.17 175.89 1sty s THR 41 N 2.16 4.88 0.71 1.71 -4.23 -1.26 -1.96 115.64 117.65 1sty s THR 41 Ca 0.04 0.35 -0.16 0.00 -1.18 0.00 0.00 61.69 60.74 1sty s THR 41 Cb -0.14 -3.78 0.03 0.00 1.34 0.00 0.00 72.50 69.95 1sty s THR 41 CO -0.06 -0.58 1.26 -2.84 -0.54 0.00 0.00 174.62 171.86 1sty s PRO 42 N -4.07 2.19 0.27 3.99 0.02 -1.26 -4.89 135.00 131.24 1sty s PRO 42 Ca 0.48 1.93 -0.30 0.00 0.02 0.00 0.00 61.00 63.14 1sty s PRO 42 Cb -0.10 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 1sty s PRO 42 CO 0.35 -1.84 1.09 -2.00 -0.33 0.00 0.00 177.00 174.28 1sty s GLU 43 N -3.69 4.65 0.00 5.54 2.56 -1.26 -4.49 118.70 122.01 1sty s GLU 43 Ca 0.79 1.78 0.00 0.00 0.00 0.00 0.00 54.97 57.54 1sty s GLU 43 Cb -0.34 -3.20 0.00 0.00 2.00 0.00 0.00 34.13 32.59 1sty s GLU 43 CO 0.44 0.22 0.01 0.25 -0.56 0.00 0.00 175.26 175.62 1sty n THR 44 N 1.32 0.00 -0.04 -1.70 -2.24 -1.26 -0.62 114.28 109.74 1sty n THR 44 Ca -0.01 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.38 1sty n THR 44 Cb 0.45 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 1sty n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sty n LYS 45 N -0.66 0.18 -2.58 -0.78 4.76 -1.26 -4.71 118.16 113.11 1sty n LYS 45 Ca 0.00 0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 1sty n LYS 45 Cb 0.00 -1.12 -0.03 0.00 -1.84 0.00 0.00 35.03 32.04 1sty n LYS 45 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1sty s HIS 46 N -2.15 3.40 0.16 2.13 2.46 -1.26 -4.95 115.29 115.08 1sty s HIS 46 Ca -0.10 1.44 -0.16 0.00 0.47 0.00 0.00 55.06 56.70 1sty s HIS 46 Cb 0.03 -3.29 0.08 0.00 -0.13 0.00 0.00 32.58 29.27 1sty s HIS 46 CO 0.17 -0.70 1.71 -1.35 -2.47 0.00 0.00 174.74 172.10 1sty h PRO 47 N 7.18 0.12 -5.92 2.88 0.11 -1.96 -1.73 132.00 132.68 1sty h PRO 47 Ca -0.34 -0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.18 1sty h PRO 47 Cb 1.17 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.14 1sty h PRO 47 CO 0.85 0.08 0.87 0.21 -0.21 0.00 0.00 178.00 179.80 1sty s LYS 48 N -6.18 3.20 0.00 1.05 2.36 -1.26 -2.26 119.74 116.65 1sty s LYS 48 Ca -0.13 -0.59 0.00 0.00 -2.55 0.00 0.00 55.97 52.70 1sty s LYS 48 Cb 0.13 -4.30 0.00 0.00 -1.05 0.00 0.00 37.83 32.61 1sty s LYS 48 CO 0.71 -2.00 0.00 1.63 1.55 0.00 0.00 175.35 177.23 1sty n LYS 49 N 8.56 0.00 0.00 4.03 5.02 -1.20 -5.12 118.16 129.45 1sty n LYS 49 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1sty n LYS 49 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 1sty n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sty n GLY 50 N 0.00 -1.64 3.58 0.72 0.00 -0.65 -4.47 105.19 102.73 1sty n GLY 50 Ca 0.00 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1sty n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sty s VAL 51 N 0.00 4.29 0.52 1.61 1.01 -1.26 -4.29 120.40 122.28 1sty s VAL 51 Ca 0.00 0.98 -0.14 0.00 0.00 0.00 0.00 61.98 62.82 1sty s VAL 51 Cb 0.00 -4.55 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 1sty s VAL 51 CO 0.00 -0.99 0.96 -1.61 0.00 0.00 0.00 175.10 173.46 1sty s GLU 52 N 4.23 3.83 0.33 2.72 2.02 0.21 -4.98 118.70 127.06 1sty s GLU 52 Ca 0.43 0.81 -0.29 0.00 0.02 0.00 0.00 54.97 55.94 1sty s GLU 52 Cb -0.08 -2.17 -0.11 0.00 0.10 0.00 0.00 34.13 31.87 1sty s GLU 52 CO 0.29 -0.30 1.46 0.21 0.02 0.00 0.00 175.26 176.93 1sty s LYS 53 N -4.31 4.19 0.00 1.61 2.20 -1.26 -1.46 119.74 120.71 1sty s LYS 53 Ca 0.57 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.63 1sty s LYS 53 Cb -0.10 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1sty s LYS 53 CO 0.37 -0.46 0.00 0.66 -0.36 0.00 0.00 175.35 175.56 1sty n TYR 54 N 1.16 0.00 0.20 4.03 4.01 -1.26 -4.76 117.16 120.53 1sty n TYR 54 Ca 0.03 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.62 1sty n TYR 54 Cb 0.40 -0.47 -0.08 0.00 -0.31 0.00 0.00 39.34 38.87 1sty n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1sty h GLY 55 N 0.00 -0.47 0.62 2.72 0.00 -1.48 -0.34 103.07 104.12 1sty h GLY 55 Ca 0.00 0.18 0.09 0.00 0.00 0.00 0.00 47.33 47.60 1sty h GLY 55 CO 0.00 -0.17 0.61 -2.55 0.00 0.00 0.00 176.54 174.42 1sty h PRO 56 N -0.45 1.01 -0.29 4.80 0.11 -1.87 -1.16 132.00 134.14 1sty h PRO 56 Ca -0.04 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.95 1sty h PRO 56 Cb 0.35 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1sty h PRO 56 CO 0.07 0.67 -0.05 0.93 -0.21 0.00 0.00 178.00 179.41 1sty h GLU 57 N 1.04 0.54 -0.29 1.05 3.07 -1.92 -0.12 114.58 117.96 1sty h GLU 57 Ca 0.44 -0.20 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 1sty h GLU 57 Cb 0.30 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1sty h GLU 57 CO -0.21 0.73 0.10 0.00 -1.40 0.00 0.00 179.01 178.22 1sty h ALA 58 N 0.80 0.37 -0.31 3.43 0.00 -0.82 0.10 119.26 122.83 1sty h ALA 58 Ca 0.08 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1sty h ALA 58 Cb 0.51 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1sty h ALA 58 CO 0.02 -0.01 0.06 0.77 0.00 0.00 0.00 179.25 180.10 1sty h SER 59 N 0.30 0.01 -0.78 0.00 0.02 -1.11 -0.49 113.55 111.51 1sty h SER 59 Ca 0.09 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1sty h SER 59 Cb 0.21 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 1sty h SER 59 CO -0.01 0.04 0.51 0.00 -1.14 0.00 0.00 176.83 176.24 1sty h ALA 60 N 1.23 1.01 0.37 3.77 0.00 -0.65 -1.37 119.26 123.62 1sty h ALA 60 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1sty h ALA 60 Cb 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1sty h ALA 60 CO -0.19 0.37 -0.20 0.35 0.00 0.00 0.00 179.25 179.58 1sty h PHE 61 N 1.03 -0.53 -0.59 0.00 3.04 -0.57 -0.72 116.94 118.60 1sty h PHE 61 Ca 0.30 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.24 1sty h PHE 61 Cb -0.07 0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 1sty h PHE 61 CO -0.02 -0.32 0.37 1.15 -2.02 0.00 0.00 178.31 177.47 1sty h THR 62 N -0.53 1.17 -0.30 4.41 2.02 -0.92 -1.73 112.91 117.02 1sty h THR 62 Ca -0.04 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 66.82 1sty h THR 62 Cb 0.43 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1sty h THR 62 CO 0.06 0.17 0.13 0.50 0.37 0.00 0.00 175.52 176.75 1sty h LYS 63 N 0.80 0.28 -0.27 6.66 3.64 -1.11 -1.10 116.57 125.47 1sty h LYS 63 Ca 0.21 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1sty h LYS 63 Cb -0.05 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1sty h LYS 63 CO -0.04 0.18 0.15 0.87 -2.27 0.00 0.00 179.45 178.34 1sty h LYS 64 N 0.29 0.30 -0.10 1.90 6.56 -0.93 -0.52 116.57 124.07 1sty h LYS 64 Ca 0.13 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.71 1sty h LYS 64 Cb 0.07 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1sty h LYS 64 CO -0.11 0.20 0.05 1.98 -2.06 0.00 0.00 179.45 179.51 1sty h MET 65 N 0.31 0.11 0.03 3.15 4.05 -0.86 -1.18 114.93 120.53 1sty h MET 65 Ca 0.11 -0.01 -0.21 0.00 -0.28 0.00 0.00 59.70 59.31 1sty h MET 65 Cb 0.00 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 1sty h MET 65 CO -0.05 0.07 -0.97 -0.39 0.23 0.00 0.00 176.91 175.79 1sty h VAL 66 N 0.11 1.58 -0.02 -5.77 -1.51 -1.13 -3.09 116.25 106.42 1sty h VAL 66 Ca 0.04 -3.00 -0.16 0.00 -1.23 0.00 0.00 66.70 62.36 1sty h VAL 66 Cb 0.01 2.69 -0.02 0.00 -2.13 0.00 0.00 31.29 31.84 1sty h VAL 66 CO -0.03 0.86 -0.70 -0.33 -1.23 0.00 0.00 177.57 176.15 1sty h GLU 67 N 0.05 0.13 -0.27 5.19 5.08 -0.99 -3.03 114.58 120.74 1sty h GLU 67 Ca -0.04 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1sty h GLU 67 Cb 1.67 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1sty h GLU 67 CO 0.14 0.78 0.00 0.09 -1.00 0.00 0.00 179.01 179.02 1sty n ASN 68 N -3.76 2.16 -4.79 1.42 4.13 -0.46 -4.93 115.26 109.02 1sty n ASN 68 Ca -0.02 -1.83 -0.36 0.00 1.68 0.00 0.00 54.58 54.05 1sty n ASN 68 Cb 0.68 -0.18 -0.06 0.00 -1.54 0.00 0.00 39.78 38.69 1sty n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sty s ALA 69 N -1.65 3.14 0.07 5.41 0.00 -1.15 -4.96 121.76 122.62 1sty s ALA 69 Ca 0.33 0.55 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 1sty s ALA 69 Cb 0.18 -3.20 -0.23 0.00 0.00 0.00 0.00 23.12 19.87 1sty s ALA 69 CO 0.26 0.05 1.19 0.87 0.00 0.00 0.00 175.76 178.12 1sty h LYS 70 N 2.71 0.68 -4.17 0.00 1.57 -1.91 -3.46 116.57 111.98 1sty h LYS 70 Ca -0.48 -0.72 -0.47 0.00 -1.87 0.00 0.00 60.65 57.11 1sty h LYS 70 Cb 1.20 0.20 -0.35 0.00 0.08 0.00 0.00 32.23 33.36 1sty h LYS 70 CO 0.63 1.30 -0.79 0.15 -0.57 0.00 0.00 179.45 180.17 1sty s LYS 71 N -3.34 1.21 -0.12 3.15 1.02 -1.26 -5.03 119.74 115.37 1sty s LYS 71 Ca -0.10 -0.20 -0.04 0.00 0.02 0.00 0.00 55.97 55.65 1sty s LYS 71 Cb 0.07 -1.20 -0.03 0.00 -0.52 0.00 0.00 37.83 36.14 1sty s LYS 71 CO 0.91 -0.13 0.02 0.42 -0.92 0.00 0.00 175.35 175.65 1sty s ILE 72 N 1.19 4.47 0.03 2.17 -1.09 -1.26 -1.32 121.20 125.39 1sty s ILE 72 Ca -0.06 -0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.23 1sty s ILE 72 Cb -0.14 -2.93 -0.02 0.00 -1.58 0.00 0.00 42.46 37.79 1sty s ILE 72 CO -0.02 0.56 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.51 1sty s GLU 73 N -0.42 0.92 0.05 2.79 2.02 -0.31 -2.09 118.70 121.66 1sty s GLU 73 Ca 0.08 -0.69 0.06 0.00 0.02 0.00 0.00 54.97 54.45 1sty s GLU 73 Cb -0.12 -0.91 -0.03 0.00 0.10 0.00 0.00 34.13 33.16 1sty s GLU 73 CO 0.02 0.23 -0.15 0.14 0.02 0.00 0.00 175.26 175.52 1sty s VAL 74 N -0.75 3.05 -0.22 2.63 -7.23 0.12 -0.32 120.40 117.68 1sty s VAL 74 Ca 0.02 -1.13 -0.01 0.00 -1.81 0.00 0.00 61.98 59.05 1sty s VAL 74 Cb -0.07 -2.32 0.06 0.00 0.56 0.00 0.00 36.38 34.61 1sty s VAL 74 CO 0.01 0.31 0.01 -0.70 -0.31 0.00 0.00 175.10 174.41 1sty s GLU 75 N -1.58 1.03 0.72 4.82 2.12 0.18 -0.55 118.70 125.43 1sty s GLU 75 Ca 0.16 -0.72 -0.12 0.00 0.36 0.00 0.00 54.97 54.65 1sty s GLU 75 Cb -0.11 -2.29 0.03 0.00 0.26 0.00 0.00 34.13 32.02 1sty s GLU 75 CO 0.07 -0.66 1.09 -0.06 -0.54 0.00 0.00 175.26 175.16 1sty s PHE 76 N 1.65 2.65 0.00 5.30 0.08 -1.26 -0.85 117.98 125.55 1sty s PHE 76 Ca -0.02 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.58 1sty s PHE 76 Cb -0.18 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 1sty s PHE 76 CO -0.09 -1.69 0.00 -3.47 -0.10 0.00 0.00 175.22 169.87 1sty n ASP 77 N -3.00 0.00 0.05 1.36 -0.08 -1.26 -4.69 116.55 108.93 1sty n ASP 77 Ca 0.09 -0.02 0.12 0.00 -1.51 0.00 0.00 54.79 53.47 1sty n ASP 77 Cb 0.53 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.21 1sty n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1sty n LYS 78 N -0.02 0.23 0.00 -0.67 5.02 -1.26 -4.90 118.16 116.56 1sty n LYS 78 Ca 0.00 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1sty n LYS 78 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 1sty n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sty n GLY 79 N 1.37 2.63 3.67 0.72 0.00 -1.26 -4.96 105.19 107.36 1sty n GLY 79 Ca 0.04 -0.92 -0.45 0.00 0.00 0.00 0.00 46.02 44.69 1sty n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sty n GLN 80 N 0.00 2.00 0.00 1.61 6.02 -1.26 -4.92 117.38 120.82 1sty n GLN 80 Ca 0.00 0.71 0.11 0.00 -0.01 0.00 0.00 57.00 57.81 1sty n GLN 80 Cb 0.00 -2.36 -0.01 0.00 1.02 0.00 0.00 30.24 28.89 1sty n GLN 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1sty n ARG 81 N 2.00 0.18 -4.16 -1.09 1.74 -1.26 -4.78 116.66 109.28 1sty n ARG 81 Ca 0.12 -0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 56.92 1sty n ARG 81 Cb 0.31 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 1sty n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1sty s THR 82 N -2.92 0.87 0.12 0.55 -4.23 -1.26 -0.49 115.64 108.29 1sty s THR 82 Ca 0.11 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1sty s THR 82 Cb 0.17 -1.31 0.02 0.00 1.34 0.00 0.00 72.50 72.72 1sty s THR 82 CO 0.79 -0.57 0.17 -0.90 -0.54 0.00 0.00 174.62 173.57 1sty n ASP 83 N 0.60 0.23 0.28 3.99 5.68 0.18 -4.85 116.55 122.67 1sty n ASP 83 Ca -0.16 -1.20 0.16 0.00 -0.50 0.00 0.00 54.79 53.09 1sty n ASP 83 Cb 0.58 -0.11 0.80 0.00 -1.14 0.00 0.00 41.12 41.24 1sty n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1sty h LYS 84 N 0.00 0.00 -0.14 0.11 2.10 -2.02 -0.70 116.57 115.91 1sty h LYS 84 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1sty h LYS 84 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1sty h LYS 84 CO 0.06 0.07 0.00 0.66 -2.00 0.00 0.00 179.45 178.25 1sty n TYR 85 N -3.38 0.18 -0.87 0.07 4.01 -1.26 -4.92 117.16 111.00 1sty n TYR 85 Ca -0.01 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1sty n TYR 85 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1sty n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sty n GLY 86 N 1.02 0.61 3.73 2.72 0.00 -0.27 -5.03 105.19 107.97 1sty n GLY 86 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1sty n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sty s ARG 87 N -0.13 4.51 0.31 1.61 0.52 -1.26 -4.73 118.95 119.78 1sty s ARG 87 Ca 0.00 1.11 -0.29 0.00 -0.52 0.00 0.00 55.73 56.02 1sty s ARG 87 Cb 0.00 -3.40 -0.11 0.00 0.52 0.00 0.00 34.95 31.96 1sty s ARG 87 CO 0.00 0.16 1.46 0.20 0.02 0.00 0.00 175.30 177.14 1sty s GLY 88 N 0.36 2.57 -0.34 -3.53 0.00 0.34 -0.65 107.32 106.07 1sty s GLY 88 Ca 0.41 1.44 -0.09 0.00 0.00 0.00 0.00 44.72 46.48 1sty s GLY 88 CO 0.23 2.27 0.16 1.08 0.00 0.00 0.00 173.10 176.84 1sty s LEU 89 N -1.13 4.41 0.20 0.66 1.43 0.36 -0.53 118.68 124.07 1sty s LEU 89 Ca 0.56 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 1sty s LEU 89 Cb -0.44 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1sty s LEU 89 CO 0.51 -0.31 0.39 0.00 0.23 0.00 0.00 176.35 177.18 1sty s ALA 90 N 1.54 -0.27 -0.09 4.21 0.00 -1.15 -4.39 121.76 121.62 1sty s ALA 90 Ca 0.02 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 1sty s ALA 90 Cb -0.18 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1sty s ALA 90 CO 0.05 -0.74 0.56 0.71 0.00 0.00 0.00 175.76 176.34 1sty s TYR 91 N -3.96 3.56 -0.09 0.00 2.02 -0.03 -0.81 117.35 118.04 1sty s TYR 91 Ca 0.17 1.04 0.02 0.00 -0.37 0.00 0.00 57.07 57.93 1sty s TYR 91 Cb 0.01 -2.63 -0.02 0.00 -0.40 0.00 0.00 41.96 38.92 1sty s TYR 91 CO 0.02 0.18 -0.14 0.42 -1.57 0.00 0.00 175.55 174.46 1sty s ILE 92 N 0.55 3.05 -0.10 2.71 1.01 -1.26 -0.65 121.20 126.51 1sty s ILE 92 Ca 0.30 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1sty s ILE 92 Cb -0.16 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 1sty s ILE 92 CO 0.13 0.56 -0.18 -0.31 0.00 0.00 0.00 174.94 175.15 1sty s TYR 93 N -0.24 2.67 -0.29 3.97 1.51 0.56 -0.44 117.35 125.09 1sty s TYR 93 Ca 0.01 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.39 1sty s TYR 93 Cb -0.13 -1.74 0.06 0.00 -0.11 0.00 0.00 41.96 40.04 1sty s TYR 93 CO 0.03 -0.21 -0.03 0.00 -1.11 0.00 0.00 175.55 174.23 1sty s ALA 94 N 0.11 2.74 -1.42 3.71 0.00 0.49 -1.16 121.76 126.23 1sty s ALA 94 Ca -0.09 -1.86 -0.00 0.00 0.00 0.00 0.00 51.96 50.01 1sty s ALA 94 Cb -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1sty s ALA 94 CO 0.05 -1.30 0.38 -0.25 0.00 0.00 0.00 175.76 174.65 1sty n ASP 95 N 4.52 -0.20 0.00 0.00 8.00 -0.43 -1.03 116.55 127.41 1sty n ASP 95 Ca -0.12 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1sty n ASP 95 Cb 0.43 -2.93 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 1sty n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sty n GLY 96 N -2.03 1.30 3.67 0.44 0.00 -1.26 -5.00 105.19 102.30 1sty n GLY 96 Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1sty n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sty s LYS 97 N -0.12 4.12 -0.05 1.61 1.02 -0.19 -5.01 119.74 121.11 1sty s LYS 97 Ca 0.00 -0.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.64 1sty s LYS 97 Cb 0.00 -3.54 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1sty s LYS 97 CO 0.00 0.02 1.43 1.41 -0.92 0.00 0.00 175.35 177.28 1sty s MET 98 N 1.16 4.25 0.16 1.68 1.75 -1.26 -0.38 119.30 126.66 1sty s MET 98 Ca 0.13 1.95 -0.12 0.00 -1.25 0.00 0.00 55.69 56.39 1sty s MET 98 Cb -0.14 -3.71 0.05 0.00 2.84 0.00 0.00 34.83 33.87 1sty s MET 98 CO 0.06 -0.66 1.67 0.28 -0.65 0.00 0.00 175.02 175.71 1sty h VAL 99 N 5.19 1.24 -0.67 10.11 2.07 -1.12 -0.86 116.25 132.21 1sty h VAL 99 Ca -0.36 -0.88 0.10 0.00 0.82 0.00 0.00 66.70 66.38 1sty h VAL 99 Cb 1.16 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 1sty h VAL 99 CO 0.93 0.32 0.30 0.78 0.02 0.00 0.00 177.57 179.92 1sty h ASN 100 N 0.76 0.37 -0.12 0.57 4.21 -1.91 -1.09 115.58 118.37 1sty h ASN 100 Ca 0.17 0.07 -0.08 0.00 1.21 0.00 0.00 56.30 57.67 1sty h ASN 100 Cb 0.34 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1sty h ASN 100 CO 0.00 0.21 -0.22 -0.08 -1.29 0.00 0.00 177.43 176.05 1sty h GLU 101 N 0.52 0.36 -0.61 0.81 4.22 -1.86 -2.87 114.58 115.16 1sty h GLU 101 Ca 0.34 -0.23 0.06 0.00 0.08 0.00 0.00 59.36 59.61 1sty h GLU 101 Cb 0.38 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 1sty h GLU 101 CO -0.29 0.82 0.31 0.00 -2.18 0.00 0.00 179.01 177.67 1sty h ALA 102 N 0.54 0.80 -0.39 2.92 0.00 -0.59 0.13 119.26 122.68 1sty h ALA 102 Ca 0.01 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1sty h ALA 102 Cb 0.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1sty h ALA 102 CO 0.05 -0.04 0.23 -0.07 0.00 0.00 0.00 179.25 179.42 1sty h LEU 103 N 0.58 0.38 -0.51 0.00 3.38 -1.24 -1.13 115.31 116.77 1sty h LEU 103 Ca 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 1sty h LEU 103 Cb 0.21 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1sty h LEU 103 CO -0.20 0.27 0.07 0.58 0.09 0.00 0.00 178.44 179.25 1sty h VAL 104 N 0.47 1.25 -0.39 1.22 2.07 -1.16 0.32 116.25 120.03 1sty h VAL 104 Ca 0.15 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1sty h VAL 104 Cb -0.00 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1sty h VAL 104 CO -0.07 0.34 0.09 -0.09 0.02 0.00 0.00 177.57 177.87 1sty h ARG 105 N 0.72 0.58 -0.00 1.57 9.65 -0.52 -1.62 114.38 124.76 1sty h ARG 105 Ca 0.15 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1sty h ARG 105 Cb 0.42 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1sty h ARG 105 CO 0.01 0.54 -0.00 1.04 2.80 0.00 0.00 179.97 184.36 1sty n GLN 106 N -4.33 0.77 -2.19 0.20 1.13 -0.45 -4.31 117.38 108.21 1sty n GLN 106 Ca 0.02 -0.01 -0.12 0.00 -1.94 0.00 0.00 57.00 54.96 1sty n GLN 106 Cb 0.19 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.04 1sty n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sty n GLY 107 N 1.12 -0.07 0.69 1.08 0.00 -0.61 -4.50 105.19 102.89 1sty n GLY 107 Ca 0.20 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.90 1sty n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sty n LEU 108 N -1.65 2.44 -3.69 0.99 4.77 0.07 -1.03 117.00 118.89 1sty n LEU 108 Ca -0.14 -1.02 -0.14 0.00 -0.03 0.00 0.00 56.01 54.69 1sty n LEU 108 Cb 0.60 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1sty n LEU 108 CO 0.16 0.43 0.13 0.00 -1.33 0.00 0.00 177.39 176.79 1sty s ALA 109 N -1.41 -1.01 0.10 -1.18 0.00 -1.13 -4.28 121.76 112.85 1sty s ALA 109 Ca 0.20 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.65 1sty s ALA 109 Cb 0.14 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1sty s ALA 109 CO 0.21 -0.36 0.11 0.15 0.00 0.00 0.00 175.76 175.88 1sty s LYS 110 N -1.80 2.95 0.04 0.00 1.02 -0.83 -4.35 119.74 116.78 1sty s LYS 110 Ca -0.10 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 54.87 1sty s LYS 110 Cb -0.03 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.50 1sty s LYS 110 CO 0.02 0.55 1.18 0.08 -0.92 0.00 0.00 175.35 176.26 1sty s VAL 111 N -1.51 4.13 0.24 3.17 1.01 -1.26 -0.44 120.40 125.74 1sty s VAL 111 Ca 0.30 1.52 -0.19 0.00 0.00 0.00 0.00 61.98 63.61 1sty s VAL 111 Cb -0.12 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1sty s VAL 111 CO 0.23 0.11 0.63 0.00 0.00 0.00 0.00 175.10 176.06 1sty s ALA 112 N 1.18 -1.05 -1.35 5.51 0.00 -0.45 -4.86 121.76 120.74 1sty s ALA 112 Ca 0.58 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 1sty s ALA 112 Cb -0.28 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1sty s ALA 112 CO 0.28 -0.93 0.59 0.66 0.00 0.00 0.00 175.76 176.36 1sty n TYR 113 N -0.41 -1.81 -2.73 0.00 4.01 -1.26 -3.53 117.16 111.43 1sty n TYR 113 Ca -0.06 0.80 -0.43 0.00 -0.16 0.00 0.00 57.90 58.05 1sty n TYR 113 Cb 0.61 -4.11 -0.03 0.00 -0.31 0.00 0.00 39.34 35.49 1sty n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1sty s VAL 114 N -3.78 4.25 -0.23 -0.72 1.01 -1.26 -4.52 120.40 115.15 1sty s VAL 114 Ca 0.01 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 1sty s VAL 114 Cb -0.01 -4.60 0.02 0.00 0.00 0.00 0.00 36.38 31.79 1sty s VAL 114 CO 0.84 -1.17 -0.10 -0.31 0.00 0.00 0.00 175.10 174.36 1sty s TYR 115 N 4.33 3.00 0.55 5.22 2.02 -1.26 -5.08 117.35 126.13 1sty s TYR 115 Ca 0.36 -1.59 -0.20 0.00 -0.37 0.00 0.00 57.07 55.27 1sty s TYR 115 Cb -0.10 -2.01 -0.05 0.00 -0.40 0.00 0.00 41.96 39.39 1sty s TYR 115 CO 0.23 -0.75 1.19 0.15 -1.57 0.00 0.00 175.55 174.80 1sty s LYS 116 N 1.31 3.26 -0.02 -0.62 1.02 -1.26 -1.20 119.74 122.24 1sty s LYS 116 Ca 0.01 1.80 0.06 0.00 0.02 0.00 0.00 55.97 57.86 1sty s LYS 116 Cb -0.16 -2.08 0.20 0.00 -0.52 0.00 0.00 37.83 35.27 1sty s LYS 116 CO -0.07 -0.96 1.09 -0.35 -0.92 0.00 0.00 175.35 174.14 1sty n PRO 117 N -1.22 1.64 -1.90 -1.68 -0.04 -1.26 -4.97 135.00 125.56 1sty n PRO 117 Ca 0.11 -0.80 -0.40 0.00 -0.04 0.00 0.00 63.50 62.37 1sty n PRO 117 Cb 0.49 -1.29 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 1sty n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sty n ASN 118 N 0.14 7.56 -1.29 3.54 3.02 -0.34 -4.32 115.26 123.56 1sty n ASN 118 Ca 0.07 -3.01 0.04 0.00 -0.03 0.00 0.00 54.58 51.65 1sty n ASN 118 Cb 0.26 -1.43 0.05 0.00 -0.61 0.00 0.00 39.78 38.04 1sty n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1sty n ASN 119 N 2.59 1.05 -0.23 6.41 6.94 -1.26 -4.46 115.26 126.30 1sty n ASN 119 Ca 0.62 -2.28 -0.01 0.00 -0.02 0.00 0.00 54.58 52.89 1sty n ASN 119 Cb 0.27 -0.33 0.20 0.00 -2.36 0.00 0.00 39.78 37.56 1sty n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1sty h THR 120 N 6.08 1.22 -0.63 5.53 2.02 -1.97 -1.50 112.91 123.65 1sty h THR 120 Ca -0.18 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1sty h THR 120 Cb 1.73 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1sty h THR 120 CO 0.08 0.23 0.00 1.41 0.37 0.00 0.00 175.52 177.61 1sty n HIS 121 N -4.37 1.37 -0.24 3.16 8.25 -1.26 -4.51 115.22 117.63 1sty n HIS 121 Ca 0.08 -0.56 -0.06 0.00 -0.26 0.00 0.00 57.72 56.92 1sty n HIS 121 Cb 0.09 -0.21 0.05 0.00 1.12 0.00 0.00 29.99 31.03 1sty n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1sty h GLU 122 N 3.92 0.89 -0.30 -0.41 4.81 -1.64 -1.31 114.58 120.55 1sty h GLU 122 Ca 0.00 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1sty h GLU 122 Cb 1.35 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1sty h GLU 122 CO 0.20 0.61 -0.01 0.37 -0.73 0.00 0.00 179.01 179.45 1sty h GLN 123 N 0.90 0.53 -0.46 1.92 4.15 -1.79 0.10 115.11 120.45 1sty h GLN 123 Ca 0.24 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1sty h GLN 123 Cb -0.06 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 1sty h GLN 123 CO -0.05 0.68 0.20 1.25 -1.93 0.00 0.00 178.83 178.98 1sty h HIS 124 N 0.32 0.69 -0.66 3.99 2.76 -1.84 0.96 115.15 121.37 1sty h HIS 124 Ca 0.08 -0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 1sty h HIS 124 Cb 0.44 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 1sty h HIS 124 CO 0.04 0.58 0.10 -0.07 -1.30 0.00 0.00 177.93 177.27 1sty h LEU 125 N 0.60 1.06 0.21 0.26 3.38 -1.02 -1.67 115.31 118.13 1sty h LEU 125 Ca 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1sty h LEU 125 Cb 0.17 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1sty h LEU 125 CO -0.02 1.05 -0.10 0.03 0.09 0.00 0.00 178.44 179.50 1sty h ARG 126 N 1.02 -0.27 -0.01 1.13 3.08 -0.77 0.99 114.38 119.55 1sty h ARG 126 Ca 0.20 0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.15 1sty h ARG 126 Cb 0.45 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1sty h ARG 126 CO 0.01 -0.01 -0.53 0.78 -1.07 0.00 0.00 179.97 179.15 1sty h GLY 126 N -1.01 0.04 0.00 0.04 0.00 -0.91 -1.95 103.07 99.27 1sty h GLY 126 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1sty h GLY 126 CO 0.05 0.04 -0.37 1.17 0.00 0.00 0.00 176.54 177.43 1sty n LYS 127 N -3.91 0.20 0.04 4.80 4.81 -0.69 -4.49 118.16 118.93 1sty n LYS 127 Ca -0.01 0.08 -0.13 0.00 -0.87 0.00 0.00 58.31 57.38 1sty n LYS 127 Cb 0.55 -0.77 -0.09 0.00 0.02 0.00 0.00 35.03 34.74 1sty n LYS 127 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1sty h SER 128 N -0.37 -0.11 -0.30 3.14 0.02 -1.34 -1.28 113.55 113.30 1sty h SER 128 Ca 0.00 -0.37 -0.16 0.00 -0.84 0.00 0.00 61.79 60.42 1sty h SER 128 Cb 0.37 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1sty h SER 128 CO 0.00 0.33 -0.45 -0.08 -1.14 0.00 0.00 176.83 175.49 1sty h GLU 129 N -0.59 0.84 -0.71 3.45 4.81 -0.86 -2.19 114.58 119.33 1sty h GLU 129 Ca -0.01 -0.50 0.10 0.00 -0.13 0.00 0.00 59.36 58.82 1sty h GLU 129 Cb 0.47 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 1sty h GLU 129 CO 0.02 1.13 0.34 0.00 -0.73 0.00 0.00 179.01 179.78 1sty h ALA 130 N 0.70 0.99 -0.51 2.92 0.00 -1.36 0.02 119.26 122.02 1sty h ALA 130 Ca 0.03 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1sty h ALA 130 Cb 1.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1sty h ALA 130 CO 0.10 -0.08 0.09 0.37 0.00 0.00 0.00 179.25 179.74 1sty h GLN 131 N 0.57 0.83 -0.87 0.00 5.75 -1.07 -0.80 115.11 119.53 1sty h GLN 131 Ca 0.36 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1sty h GLN 131 Cb 0.41 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 1sty h GLN 131 CO -0.29 0.82 0.47 0.00 -2.65 0.00 0.00 178.83 177.18 1sty h ALA 132 N 0.98 1.19 0.30 3.38 0.00 -0.97 -2.00 119.26 122.14 1sty h ALA 132 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sty h ALA 132 Cb 0.39 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1sty h ALA 132 CO 0.01 0.65 -0.16 0.87 0.00 0.00 0.00 179.25 180.61 1sty h LYS 133 N 1.22 -0.42 -0.92 0.00 1.57 -0.73 -0.82 116.57 116.47 1sty h LYS 133 Ca 0.30 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.22 1sty h LYS 133 Cb 0.04 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.36 1sty h LYS 133 CO -0.05 -0.28 0.56 0.87 -0.57 0.00 0.00 179.45 179.98 1sty h LYS 134 N -0.43 0.87 -0.00 3.15 1.57 -0.98 0.61 116.57 121.36 1sty h LYS 134 Ca -0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1sty h LYS 134 Cb 0.35 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1sty h LYS 134 CO 0.05 0.57 -0.03 0.39 -0.57 0.00 0.00 179.45 179.86 1sty n GLU 135 N -4.68 0.68 -3.62 3.15 1.02 -0.77 -4.93 120.64 111.49 1sty n GLU 135 Ca 0.17 -0.09 -0.22 0.00 -0.02 0.00 0.00 57.16 56.99 1sty n GLU 135 Cb 0.33 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.31 1sty n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sty n LYS 136 N -1.08 -6.46 -2.95 3.49 4.76 0.21 -4.93 118.16 111.19 1sty n LYS 136 Ca 0.17 0.75 -0.41 0.00 -2.87 0.00 0.00 58.31 55.95 1sty n LYS 136 Cb 0.22 -5.66 -0.04 0.00 -1.84 0.00 0.00 35.03 27.71 1sty n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1sty s LEU 137 N -6.87 4.25 0.00 -0.35 1.43 -0.40 -3.32 118.68 113.42 1sty s LEU 137 Ca 0.29 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 1sty s LEU 137 Cb -0.13 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1sty s LEU 137 CO 0.77 -0.25 0.00 0.59 0.23 0.00 0.00 176.35 177.68 1sty n ASN 138 N 4.46 0.00 0.17 2.29 3.02 -1.26 -0.65 115.26 123.28 1sty n ASN 138 Ca 0.02 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.72 1sty n ASN 138 Cb 0.50 0.00 0.73 0.00 -0.61 0.00 0.00 39.78 40.40 1sty n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1sty h ILE 139 N 0.00 0.74 -0.29 2.41 2.04 -1.39 0.01 117.51 121.02 1sty h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1sty h ILE 139 Cb 0.00 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1sty h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1sty n TRP 140 N -4.23 0.39 1.83 1.37 5.03 0.17 -5.15 117.44 116.85 1sty n TRP 140 Ca 0.02 -0.19 0.15 0.00 3.03 0.00 0.00 57.50 60.51 1sty n TRP 140 Cb 0.32 0.00 0.80 0.00 -1.03 0.00 0.00 31.31 31.40 1sty n TRP 140 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53