#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ey2 s LEU 7 N 0.00 3.41 0.03 3.14 1.43 -1.26 -5.04 118.68 120.39 2ey2 s LEU 7 Ca 0.00 2.13 -0.17 0.00 -1.03 0.00 0.00 54.13 55.06 2ey2 s LEU 7 Cb 0.00 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.68 2ey2 s LEU 7 CO 0.00 -1.77 0.38 -1.38 0.23 0.00 0.00 176.35 173.80 2ey2 s HIS 8 N -2.16 -0.22 -0.01 0.29 -3.43 -1.26 -5.13 115.29 103.36 2ey2 s HIS 8 Ca 0.70 0.18 -0.17 0.00 -0.80 0.00 0.00 55.06 54.97 2ey2 s HIS 8 Cb -0.23 0.17 -0.06 0.00 -1.43 0.00 0.00 32.58 31.03 2ey2 s HIS 8 CO 0.41 -0.53 0.47 0.15 -2.00 0.00 0.00 174.74 173.24 2ey2 s LYS 9 N -2.32 4.10 0.15 -0.38 1.02 -1.26 -4.43 119.74 116.62 2ey2 s LYS 9 Ca -0.06 0.51 0.10 0.00 0.02 0.00 0.00 55.97 56.54 2ey2 s LYS 9 Cb -0.01 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 2ey2 s LYS 9 CO -0.01 0.55 -0.22 -1.21 -0.92 0.00 0.00 175.35 173.53 2ey2 s GLU 10 N -0.67 1.59 0.56 1.68 2.02 0.23 -4.92 118.70 119.21 2ey2 s GLU 10 Ca 0.26 -1.34 -0.18 0.00 0.02 0.00 0.00 54.97 53.73 2ey2 s GLU 10 Cb -0.17 -1.97 -0.05 0.00 0.10 0.00 0.00 34.13 32.04 2ey2 s GLU 10 CO 0.14 0.44 1.08 -1.25 0.02 0.00 0.00 175.26 175.69 2ey2 s PRO 11 N -2.30 3.37 0.21 0.39 0.04 -1.26 0.58 135.00 136.03 2ey2 s PRO 11 Ca 0.18 1.37 -0.13 0.00 0.04 0.00 0.00 61.00 62.45 2ey2 s PRO 11 Cb -0.10 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.42 2ey2 s PRO 11 CO 0.09 -0.79 0.44 0.00 0.04 0.00 0.00 177.00 176.78 2ey2 s ALA 12 N -2.15 -0.42 -0.05 8.56 0.00 -0.81 -4.66 121.76 122.23 2ey2 s ALA 12 Ca 0.67 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 52.02 2ey2 s ALA 12 Cb -0.19 0.93 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 2ey2 s ALA 12 CO 0.31 -0.78 -0.18 0.99 0.00 0.00 0.00 175.76 176.10 2ey2 s THR 13 N -3.95 1.50 0.33 0.00 2.01 -0.68 -4.25 115.64 110.60 2ey2 s THR 13 Ca 0.16 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 2ey2 s THR 13 Cb 0.00 -1.29 -0.11 0.00 0.01 0.00 0.00 72.50 71.12 2ey2 s THR 13 CO 0.02 0.43 1.44 -0.22 -0.69 0.00 0.00 174.62 175.61 2ey2 s LEU 14 N 0.09 4.36 -0.05 4.42 2.96 -1.26 0.39 118.68 129.60 2ey2 s LEU 14 Ca -0.06 2.87 -0.07 0.00 -0.22 0.00 0.00 54.13 56.65 2ey2 s LEU 14 Cb -0.12 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 42.89 2ey2 s LEU 14 CO 0.03 -0.75 -0.14 -0.38 -1.32 0.00 0.00 176.35 173.78 2ey2 n ILE 15 N 1.11 0.90 -3.55 6.68 5.41 -0.37 -4.73 119.36 124.81 2ey2 n ILE 15 Ca 0.03 0.27 -0.15 0.00 1.00 0.00 0.00 62.75 63.89 2ey2 n ILE 15 Cb 0.40 -1.79 -0.06 0.00 -0.71 0.00 0.00 39.64 37.48 2ey2 n ILE 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2ey2 s LYS 16 N -2.01 0.87 0.12 0.38 -2.85 -0.75 -5.01 119.74 110.50 2ey2 s LYS 16 Ca -0.12 0.31 -0.30 0.00 -1.00 0.00 0.00 55.97 54.86 2ey2 s LYS 16 Cb 0.02 0.41 -0.06 0.00 -2.06 0.00 0.00 37.83 36.14 2ey2 s LYS 16 CO 0.17 -0.25 1.03 0.00 0.10 0.00 0.00 175.35 176.40 2ey2 s ALA 17 N -0.95 3.30 -0.19 0.59 0.00 -1.26 -0.53 121.76 122.71 2ey2 s ALA 17 Ca -0.07 0.68 -0.06 0.00 0.00 0.00 0.00 51.96 52.51 2ey2 s ALA 17 Cb -0.01 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2ey2 s ALA 17 CO 0.06 -0.13 -0.22 -0.89 0.00 0.00 0.00 175.76 174.58 2ey2 n ILE 18 N 2.79 1.05 -3.99 0.00 5.41 -0.25 -4.92 119.36 119.45 2ey2 n ILE 18 Ca 0.03 -0.31 -0.11 0.00 1.00 0.00 0.00 62.75 63.36 2ey2 n ILE 18 Cb 0.48 -1.56 -0.03 0.00 -0.71 0.00 0.00 39.64 37.82 2ey2 n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2ey2 n ASP 19 N -3.60 -0.83 -0.37 4.38 8.00 -0.76 -4.97 116.55 118.41 2ey2 n ASP 19 Ca -0.36 -2.38 0.04 0.00 0.71 0.00 0.00 54.79 52.79 2ey2 n ASP 19 Cb 0.79 1.61 0.19 0.00 -0.02 0.00 0.00 41.12 43.70 2ey2 n ASP 19 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2ey2 h GLY 20 N 1.40 1.54 -0.07 0.44 0.00 -1.82 -3.22 103.07 101.33 2ey2 h GLY 20 Ca -0.18 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.68 2ey2 h GLY 20 CO 0.25 0.30 -0.04 2.09 0.00 0.00 0.00 176.54 179.15 2ey2 n ASP 21 N -4.52 2.14 -3.90 0.19 5.68 -1.26 -4.76 116.55 110.12 2ey2 n ASP 21 Ca 0.16 -2.93 -0.21 0.00 -0.50 0.00 0.00 54.79 51.31 2ey2 n ASP 21 Cb 0.22 -0.38 -0.16 0.00 -1.14 0.00 0.00 41.12 39.65 2ey2 n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2ey2 s THR 22 N -2.53 0.63 0.02 2.12 2.01 -1.22 -1.07 115.64 115.60 2ey2 s THR 22 Ca 0.27 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.13 2ey2 s THR 22 Cb 0.24 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 2ey2 s THR 22 CO 0.03 0.25 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.45 2ey2 s VAL 23 N 0.97 0.52 -0.20 3.82 1.01 -0.56 -1.09 120.40 124.88 2ey2 s VAL 23 Ca -0.10 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 2ey2 s VAL 23 Cb -0.14 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 2ey2 s VAL 23 CO -0.00 -0.09 0.35 -0.75 0.00 0.00 0.00 175.10 174.61 2ey2 s LYS 24 N -0.79 4.18 0.10 2.72 2.20 0.31 0.28 119.74 128.74 2ey2 s LYS 24 Ca -0.03 0.12 0.06 0.00 -0.36 0.00 0.00 55.97 55.77 2ey2 s LYS 24 Cb -0.06 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 2ey2 s LYS 24 CO 0.00 0.03 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.36 2ey2 s LEU 25 N 1.11 2.34 -0.25 5.43 1.02 -0.16 -1.23 118.68 126.94 2ey2 s LEU 25 Ca 0.17 -0.72 -0.20 0.00 0.02 0.00 0.00 54.13 53.41 2ey2 s LEU 25 Cb -0.14 -0.60 -0.02 0.00 0.02 0.00 0.00 46.19 45.44 2ey2 s LEU 25 CO 0.07 -0.08 0.61 -0.32 0.02 0.00 0.00 176.35 176.65 2ey2 s MET 26 N -2.18 4.12 -0.06 1.70 -2.45 0.16 -1.05 119.30 119.54 2ey2 s MET 26 Ca 0.04 0.53 -0.00 0.00 -1.25 0.00 0.00 55.69 55.01 2ey2 s MET 26 Cb -0.08 -3.64 0.03 0.00 1.25 0.00 0.00 34.83 32.39 2ey2 s MET 26 CO 0.03 -0.37 -0.02 -0.47 1.05 0.00 0.00 175.02 175.24 2ey2 s TYR 27 N 2.37 0.70 -1.60 4.11 5.04 -0.48 -1.68 117.35 125.81 2ey2 s TYR 27 Ca 0.26 -0.19 -0.16 0.00 -2.44 0.00 0.00 57.07 54.54 2ey2 s TYR 27 Cb -0.16 -0.75 0.12 0.00 0.35 0.00 0.00 41.96 41.53 2ey2 s TYR 27 CO 0.09 -0.28 0.85 1.63 -1.34 0.00 0.00 175.55 176.50 2ey2 n LYS 28 N 4.71 -4.19 -0.35 4.97 5.02 -1.26 -1.48 118.16 125.58 2ey2 n LYS 28 Ca -0.14 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2ey2 n LYS 28 Cb 0.50 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 2ey2 n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ey2 n GLY 29 N -1.50 1.25 3.21 0.72 0.00 -1.26 -5.05 105.19 102.56 2ey2 n GLY 29 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2ey2 n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ey2 s GLN 30 N -0.39 1.17 0.28 1.61 -2.07 -0.55 -5.09 119.66 114.62 2ey2 s GLN 30 Ca 0.00 -0.88 -0.29 0.00 -1.82 0.00 0.00 55.36 52.36 2ey2 s GLN 30 Cb 0.00 -1.25 -0.10 0.00 -1.09 0.00 0.00 33.01 30.57 2ey2 s GLN 30 CO 0.00 0.31 1.32 -2.14 -1.32 0.00 0.00 175.29 173.46 2ey2 s PRO 31 N -1.23 4.37 -0.05 9.60 0.02 -1.26 -1.39 135.00 145.06 2ey2 s PRO 31 Ca 0.05 2.17 -0.09 0.00 0.02 0.00 0.00 61.00 63.14 2ey2 s PRO 31 Cb -0.08 -3.12 0.02 0.00 0.02 0.00 0.00 34.50 31.34 2ey2 s PRO 31 CO 0.02 -0.22 0.22 -1.64 -0.33 0.00 0.00 177.00 175.05 2ey2 s MET 32 N -1.09 0.40 -0.10 5.54 -1.94 -0.22 -4.93 119.30 116.96 2ey2 s MET 32 Ca 0.52 0.05 -0.23 0.00 -1.71 0.00 0.00 55.69 54.33 2ey2 s MET 32 Cb -0.39 0.18 -0.03 0.00 2.01 0.00 0.00 34.83 36.60 2ey2 s MET 32 CO 0.47 -0.08 0.68 0.99 -0.01 0.00 0.00 175.02 177.06 2ey2 s THR 33 N -0.51 5.04 -0.09 2.05 2.01 -1.26 -0.99 115.64 121.89 2ey2 s THR 33 Ca -0.06 1.36 -0.00 0.00 0.31 0.00 0.00 61.69 63.30 2ey2 s THR 33 Cb -0.04 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2ey2 s THR 33 CO 0.01 0.21 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.73 2ey2 s PHE 34 N 1.10 2.94 -0.19 4.92 0.40 0.14 -1.14 117.98 126.16 2ey2 s PHE 34 Ca 0.35 -0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.51 2ey2 s PHE 34 Cb -0.17 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 2ey2 s PHE 34 CO 0.15 0.23 0.08 0.50 0.70 0.00 0.00 175.22 176.88 2ey2 s ARG 35 N -0.52 4.03 0.01 0.44 6.06 0.04 -1.49 118.95 127.52 2ey2 s ARG 35 Ca 0.08 -0.31 -0.30 0.00 -2.50 0.00 0.00 55.73 52.70 2ey2 s ARG 35 Cb -0.12 -3.27 -0.05 0.00 0.06 0.00 0.00 34.95 31.57 2ey2 s ARG 35 CO 0.02 0.29 1.34 -0.51 -2.50 0.00 0.00 175.30 173.93 2ey2 s LEU 36 N 0.35 4.32 0.33 -0.88 1.43 -0.23 -2.75 118.68 121.25 2ey2 s LEU 36 Ca 0.04 2.07 -0.29 0.00 -1.03 0.00 0.00 54.13 54.93 2ey2 s LEU 36 Cb -0.12 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.43 2ey2 s LEU 36 CO -0.01 -0.65 1.43 -0.76 0.23 0.00 0.00 176.35 176.59 2ey2 s LEU 37 N 2.04 4.37 0.00 1.79 1.43 -0.44 -3.64 118.68 124.23 2ey2 s LEU 37 Ca 0.62 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 56.57 2ey2 s LEU 37 Cb -0.30 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.26 2ey2 s LEU 37 CO 0.26 -0.73 0.00 0.18 0.23 0.00 0.00 176.35 176.29 2ey2 n LEU 38 N 1.08 0.06 -4.19 1.79 4.77 -1.26 -4.91 117.00 114.34 2ey2 n LEU 38 Ca 0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 2ey2 n LEU 38 Cb 0.40 -0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 41.07 2ey2 n LEU 38 CO 0.62 -0.04 -0.48 0.68 -1.33 0.00 0.00 177.39 176.83 2ey2 s VAL 39 N -3.09 1.32 -0.22 4.08 -7.23 -1.24 -0.26 120.40 113.76 2ey2 s VAL 39 Ca 0.00 -1.14 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 2ey2 s VAL 39 Cb 0.00 -1.19 0.03 0.00 0.56 0.00 0.00 36.38 35.78 2ey2 s VAL 39 CO 0.00 0.03 -0.15 -1.81 -0.31 0.00 0.00 175.10 172.86 2ey2 s ASP 40 N -1.29 3.76 0.24 4.85 1.01 -0.64 -4.74 116.67 119.86 2ey2 s ASP 40 Ca 0.03 -0.92 -0.08 0.00 0.71 0.00 0.00 52.55 52.30 2ey2 s ASP 40 Cb -0.09 -1.54 -0.06 0.00 1.01 0.00 0.00 42.92 42.24 2ey2 s ASP 40 CO 0.02 -0.08 0.54 0.00 0.21 0.00 0.00 175.17 175.86 2ey2 s PRO 42 N -3.02 3.26 0.21 0.00 0.02 -1.26 -4.95 135.00 129.26 2ey2 s PRO 42 Ca 0.46 2.04 -0.12 0.00 0.02 0.00 0.00 61.00 63.39 2ey2 s PRO 42 Cb -0.11 -2.23 -0.07 0.00 0.02 0.00 0.00 34.50 32.11 2ey2 s PRO 42 CO 0.24 -1.03 0.58 -2.00 -0.33 0.00 0.00 177.00 174.46 2ey2 s GLU 43 N -2.93 3.91 -0.14 5.54 2.56 -1.26 -4.34 118.70 122.03 2ey2 s GLU 43 Ca 0.71 0.43 0.17 0.00 0.00 0.00 0.00 54.97 56.28 2ey2 s GLU 43 Cb -0.35 -2.73 -0.24 0.00 2.00 0.00 0.00 34.13 32.81 2ey2 s GLU 43 CO 0.42 0.36 0.14 0.25 -0.56 0.00 0.00 175.26 175.87 2ey2 n THR 44 N 0.21 0.95 -3.60 -1.70 -2.24 -1.25 -0.58 114.28 106.07 2ey2 n THR 44 Ca -0.01 -0.68 -0.27 0.00 -2.27 0.00 0.00 64.05 60.81 2ey2 n THR 44 Cb 0.52 -0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 68.26 2ey2 n THR 44 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2ey2 n LYS 45 N -2.55 1.23 -2.97 -0.78 2.85 -1.25 -3.67 118.16 111.02 2ey2 n LYS 45 Ca -0.23 -3.93 -0.40 0.00 -1.05 0.00 0.00 58.31 52.70 2ey2 n LYS 45 Cb 0.95 -1.97 -0.05 0.00 -0.65 0.00 0.00 35.03 33.31 2ey2 n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2ey2 s HIS 46 N -1.02 3.73 0.32 5.58 2.46 -1.12 -4.95 115.29 120.30 2ey2 s HIS 46 Ca 0.30 1.49 0.15 0.00 0.47 0.00 0.00 55.06 57.47 2ey2 s HIS 46 Cb 0.03 -2.84 1.09 0.00 -0.13 0.00 0.00 32.58 30.73 2ey2 s HIS 46 CO -0.16 0.26 1.41 -2.30 -2.47 0.00 0.00 174.74 171.49 2ey2 n PRO 47 N 2.85 -0.06 0.00 2.88 -0.02 -1.26 -3.77 135.00 135.62 2ey2 n PRO 47 Ca -0.02 1.26 0.00 0.00 -2.02 0.00 0.00 63.50 62.72 2ey2 n PRO 47 Cb 0.50 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2ey2 n PRO 47 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2ey2 n LYS 48 N -5.09 0.00 0.00 -0.52 4.76 -1.26 -4.97 118.16 111.08 2ey2 n LYS 48 Ca 0.31 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 2ey2 n LYS 48 Cb 1.05 -0.05 0.00 0.00 -1.84 0.00 0.00 35.03 34.19 2ey2 n LYS 48 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2ey2 n LYS 49 N -1.51 0.00 0.00 1.97 4.81 -1.26 -5.05 118.16 117.13 2ey2 n LYS 49 Ca 0.00 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 2ey2 n LYS 49 Cb 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.66 2ey2 n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ey2 n GLY 50 N -0.88 0.85 3.46 3.14 0.00 -1.25 -4.88 105.19 105.63 2ey2 n GLY 50 Ca 0.00 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 2ey2 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ey2 s VAL 51 N 0.00 4.57 0.60 1.61 1.01 -1.24 -2.79 120.40 124.16 2ey2 s VAL 51 Ca 0.00 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.69 2ey2 s VAL 51 Cb 0.00 -4.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 2ey2 s VAL 51 CO 0.00 -1.51 1.02 -1.61 0.00 0.00 0.00 175.10 173.01 2ey2 s GLU 52 N 3.22 3.61 0.15 2.72 2.02 0.25 -4.96 118.70 125.70 2ey2 s GLU 52 Ca 0.30 0.84 -0.31 0.00 0.02 0.00 0.00 54.97 55.81 2ey2 s GLU 52 Cb -0.09 -2.08 -0.11 0.00 0.10 0.00 0.00 34.13 31.95 2ey2 s GLU 52 CO -0.03 -0.56 1.79 0.21 0.02 0.00 0.00 175.26 176.68 2ey2 s LYS 53 N -4.86 4.14 0.00 1.61 2.20 -1.26 -0.84 119.74 120.73 2ey2 s LYS 53 Ca 0.57 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.76 2ey2 s LYS 53 Cb -0.11 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 2ey2 s LYS 53 CO 0.48 -0.81 0.00 0.66 -0.36 0.00 0.00 175.35 175.32 2ey2 n TYR 54 N 5.13 0.00 0.31 4.03 4.01 -1.26 -4.81 117.16 124.57 2ey2 n TYR 54 Ca 0.17 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.73 2ey2 n TYR 54 Cb 0.37 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.31 2ey2 n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2ey2 h GLY 55 N 0.00 -1.11 1.77 2.72 0.00 -1.18 0.23 103.07 105.49 2ey2 h GLY 55 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 2ey2 h GLY 55 CO 0.00 -0.37 0.07 -2.55 0.00 0.00 0.00 176.54 173.69 2ey2 h PRO 56 N -0.97 0.31 -0.24 4.80 0.11 -1.86 -1.03 132.00 133.12 2ey2 h PRO 56 Ca -0.06 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.88 2ey2 h PRO 56 Cb 0.82 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 2ey2 h PRO 56 CO -0.00 0.27 -0.38 0.93 -0.21 0.00 0.00 178.00 178.62 2ey2 h GLU 57 N 0.31 0.68 -0.77 1.05 3.07 -1.87 -0.04 114.58 117.01 2ey2 h GLU 57 Ca 0.08 -0.41 0.03 0.00 -0.50 0.00 0.00 59.36 58.56 2ey2 h GLU 57 Cb 0.10 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.00 2ey2 h GLU 57 CO -0.01 1.03 0.49 0.00 -1.40 0.00 0.00 179.01 179.12 2ey2 h ALA 58 N 0.65 1.02 -0.17 3.43 0.00 -0.20 -1.15 119.26 122.84 2ey2 h ALA 58 Ca 0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2ey2 h ALA 58 Cb 0.97 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2ey2 h ALA 58 CO 0.09 0.28 -0.56 1.03 0.00 0.00 0.00 179.25 180.09 2ey2 h SER 59 N 0.94 0.58 0.23 0.00 0.87 -1.11 -1.72 113.55 113.35 2ey2 h SER 59 Ca 0.31 -0.31 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 2ey2 h SER 59 Cb 0.03 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2ey2 h SER 59 CO -0.12 1.02 -0.40 0.00 -0.53 0.00 0.00 176.83 176.80 2ey2 h ALA 60 N 0.99 1.14 0.18 6.23 0.00 -0.60 -2.20 119.26 125.00 2ey2 h ALA 60 Ca 0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2ey2 h ALA 60 Cb 1.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2ey2 h ALA 60 CO 0.10 0.57 -0.09 0.35 0.00 0.00 0.00 179.25 180.19 2ey2 h PHE 61 N 0.19 -0.23 -0.92 0.00 3.04 -0.84 -0.77 116.94 117.42 2ey2 h PHE 61 Ca 0.02 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.99 2ey2 h PHE 61 Cb 0.79 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 39.32 2ey2 h PHE 61 CO 0.01 0.08 0.60 1.15 -2.02 0.00 0.00 178.31 178.14 2ey2 h THR 62 N -0.53 1.19 -0.20 4.41 2.02 -1.34 -1.01 112.91 117.44 2ey2 h THR 62 Ca -0.02 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 2ey2 h THR 62 Cb 0.40 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 2ey2 h THR 62 CO 0.04 0.22 0.05 0.50 0.37 0.00 0.00 175.52 176.70 2ey2 h LYS 63 N 1.19 0.32 -0.49 6.66 3.64 -1.22 0.52 116.57 127.19 2ey2 h LYS 63 Ca 0.35 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.56 2ey2 h LYS 63 Cb -0.05 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2ey2 h LYS 63 CO -0.09 0.45 -0.07 0.87 -2.27 0.00 0.00 179.45 178.33 2ey2 h LYS 64 N 0.14 0.88 -0.54 1.90 1.79 -0.98 0.15 116.57 119.91 2ey2 h LYS 64 Ca 0.06 -0.28 -0.11 0.00 -2.18 0.00 0.00 60.65 58.14 2ey2 h LYS 64 Cb 0.27 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 2ey2 h LYS 64 CO 0.00 0.92 -0.09 1.98 -1.08 0.00 0.00 179.45 181.18 2ey2 h MET 65 N 0.80 0.99 0.00 3.15 4.05 -0.91 -0.84 114.93 122.17 2ey2 h MET 65 Ca 0.14 -0.35 -0.19 0.00 -0.28 0.00 0.00 59.70 59.02 2ey2 h MET 65 Cb 0.57 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.27 2ey2 h MET 65 CO 0.03 1.03 -1.19 -0.39 0.23 0.00 0.00 176.91 176.62 2ey2 h VAL 66 N 0.89 0.87 -0.04 -5.77 -1.51 -0.54 -3.23 116.25 106.91 2ey2 h VAL 66 Ca 0.14 -2.44 -0.11 0.00 -1.23 0.00 0.00 66.70 63.06 2ey2 h VAL 66 Cb 0.64 2.34 -0.01 0.00 -2.13 0.00 0.00 31.29 32.13 2ey2 h VAL 66 CO 0.04 0.49 -0.49 -0.33 -1.23 0.00 0.00 177.57 176.06 2ey2 h GLU 67 N 0.00 0.11 -0.03 5.19 5.08 -0.61 -3.07 114.58 121.26 2ey2 h GLU 67 Ca -0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2ey2 h GLU 67 Cb 1.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 2ey2 h GLU 67 CO 0.07 0.58 0.00 0.09 -1.00 0.00 0.00 179.01 178.75 2ey2 n ASN 68 N -3.96 1.43 -4.86 1.42 5.03 -0.33 -4.96 115.26 109.03 2ey2 n ASN 68 Ca -0.02 -1.49 -0.31 0.00 0.87 0.00 0.00 54.58 53.63 2ey2 n ASN 68 Cb 0.52 -0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 39.23 2ey2 n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ey2 s ALA 69 N -1.98 3.24 0.01 5.41 0.00 -1.16 -4.98 121.76 122.31 2ey2 s ALA 69 Ca 0.38 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 2ey2 s ALA 69 Cb 0.21 -2.86 -0.33 0.00 0.00 0.00 0.00 23.12 20.13 2ey2 s ALA 69 CO 0.33 -0.07 0.93 0.87 0.00 0.00 0.00 175.76 177.81 2ey2 h LYS 70 N 1.19 0.45 -4.21 0.00 1.57 -1.92 -3.47 116.57 110.18 2ey2 h LYS 70 Ca -0.47 -0.77 -0.44 0.00 -1.87 0.00 0.00 60.65 57.10 2ey2 h LYS 70 Cb 1.19 0.29 -0.33 0.00 0.08 0.00 0.00 32.23 33.45 2ey2 h LYS 70 CO 0.63 1.36 -0.79 0.15 -0.57 0.00 0.00 179.45 180.24 2ey2 s LYS 71 N -2.60 1.09 -0.10 3.15 1.02 -1.26 -5.02 119.74 116.02 2ey2 s LYS 71 Ca -0.10 -0.21 -0.00 0.00 0.02 0.00 0.00 55.97 55.68 2ey2 s LYS 71 Cb 0.05 -1.00 -0.03 0.00 -0.52 0.00 0.00 37.83 36.34 2ey2 s LYS 71 CO 0.91 -0.03 -0.08 0.42 -0.92 0.00 0.00 175.35 175.64 2ey2 s ILE 72 N 0.77 3.52 0.08 2.17 1.01 -1.26 -0.51 121.20 126.98 2ey2 s ILE 72 Ca -0.12 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.07 2ey2 s ILE 72 Cb -0.14 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 2ey2 s ILE 72 CO 0.01 0.56 -0.17 -1.61 0.00 0.00 0.00 174.94 173.73 2ey2 s GLU 73 N -0.26 0.98 -0.04 2.79 2.02 -0.36 -1.93 118.70 121.91 2ey2 s GLU 73 Ca 0.03 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 54.01 2ey2 s GLU 73 Cb -0.13 -1.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.96 2ey2 s GLU 73 CO 0.03 0.26 -0.09 0.14 0.02 0.00 0.00 175.26 175.61 2ey2 s VAL 74 N -1.18 3.51 -0.27 2.63 -7.23 0.20 -0.64 120.40 117.41 2ey2 s VAL 74 Ca 0.02 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2ey2 s VAL 74 Cb -0.10 -2.46 0.08 0.00 0.56 0.00 0.00 36.38 34.47 2ey2 s VAL 74 CO 0.03 0.52 0.03 -0.70 -0.31 0.00 0.00 175.10 174.67 2ey2 s GLU 75 N -1.03 1.11 0.59 4.82 2.12 -0.05 -0.60 118.70 125.66 2ey2 s GLU 75 Ca 0.14 -1.08 -0.17 0.00 0.36 0.00 0.00 54.97 54.22 2ey2 s GLU 75 Cb -0.11 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 2ey2 s GLU 75 CO 0.03 -0.81 1.10 -0.06 -0.54 0.00 0.00 175.26 174.99 2ey2 s PHE 76 N 1.47 2.75 0.00 5.30 0.08 -1.26 -0.66 117.98 125.66 2ey2 s PHE 76 Ca 0.03 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.63 2ey2 s PHE 76 Cb -0.18 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 2ey2 s PHE 76 CO -0.14 -1.45 0.00 -3.47 -0.10 0.00 0.00 175.22 170.06 2ey2 n ASP 77 N -1.81 0.00 -0.48 1.36 -0.08 -1.26 -4.72 116.55 109.56 2ey2 n ASP 77 Ca 0.10 -0.43 0.13 0.00 -1.51 0.00 0.00 54.79 53.08 2ey2 n ASP 77 Cb 0.52 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.25 2ey2 n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2ey2 n LYS 78 N -0.43 1.37 0.00 -0.67 2.85 -1.26 -4.90 118.16 115.12 2ey2 n LYS 78 Ca 0.00 -0.96 0.00 0.00 -1.05 0.00 0.00 58.31 56.30 2ey2 n LYS 78 Cb 0.00 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 2ey2 n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ey2 n GLY 79 N 1.32 2.25 3.77 2.58 0.00 -1.26 -4.97 105.19 108.89 2ey2 n GLY 79 Ca 0.13 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 2ey2 n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ey2 s GLN 80 N 4.70 3.73 0.00 1.61 -2.07 -1.26 -4.93 119.66 121.45 2ey2 s GLN 80 Ca 0.00 1.76 0.20 0.00 -1.82 0.00 0.00 55.36 55.50 2ey2 s GLN 80 Cb 0.00 -2.38 -0.15 0.00 -1.09 0.00 0.00 33.01 29.39 2ey2 s GLN 80 CO 0.00 -0.57 0.88 0.54 -1.32 0.00 0.00 175.29 174.82 2ey2 n ARG 81 N -0.54 0.84 -4.15 9.60 1.74 -1.26 -4.81 116.66 118.08 2ey2 n ARG 81 Ca 0.08 -0.29 -0.14 0.00 -0.77 0.00 0.00 57.85 56.72 2ey2 n ARG 81 Cb 0.48 -1.41 -0.11 0.00 -1.02 0.00 0.00 32.46 30.40 2ey2 n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2ey2 s THR 82 N -2.67 0.85 0.22 0.55 -4.23 -1.26 -0.18 115.64 108.93 2ey2 s THR 82 Ca 0.10 -1.47 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 2ey2 s THR 82 Cb 0.15 -1.15 0.04 0.00 1.34 0.00 0.00 72.50 72.88 2ey2 s THR 82 CO 0.71 -0.48 0.30 -0.90 -0.54 0.00 0.00 174.62 173.71 2ey2 n ASP 83 N 0.86 0.75 0.20 3.99 5.68 -0.39 -4.90 116.55 122.73 2ey2 n ASP 83 Ca -0.18 -1.55 0.14 0.00 -0.50 0.00 0.00 54.79 52.70 2ey2 n ASP 83 Cb 0.57 -0.16 0.65 0.00 -1.14 0.00 0.00 41.12 41.03 2ey2 n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2ey2 h LYS 84 N 0.00 0.00 -0.19 0.11 2.10 -2.02 -1.22 116.57 115.34 2ey2 h LYS 84 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2ey2 h LYS 84 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2ey2 h LYS 84 CO 0.14 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.25 2ey2 n TYR 85 N -2.52 0.23 -0.81 0.07 4.01 -1.26 -4.92 117.16 111.96 2ey2 n TYR 85 Ca 0.00 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2ey2 n TYR 85 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 2ey2 n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ey2 n GLY 86 N 1.33 0.57 3.77 2.72 0.00 -0.46 -5.04 105.19 108.07 2ey2 n GLY 86 Ca 0.17 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2ey2 n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ey2 s ARG 87 N -0.56 4.56 0.41 1.61 0.52 -1.26 -4.75 118.95 119.49 2ey2 s ARG 87 Ca 0.00 1.15 -0.26 0.00 -0.52 0.00 0.00 55.73 56.10 2ey2 s ARG 87 Cb 0.00 -3.29 -0.09 0.00 0.52 0.00 0.00 34.95 32.10 2ey2 s ARG 87 CO 0.00 0.50 1.37 0.20 0.02 0.00 0.00 175.30 177.39 2ey2 s GLY 88 N -0.89 2.93 -0.35 -3.53 0.00 -0.29 -1.27 107.32 103.91 2ey2 s GLY 88 Ca 0.37 1.35 -0.06 0.00 0.00 0.00 0.00 44.72 46.38 2ey2 s GLY 88 CO 0.26 1.96 0.12 1.08 0.00 0.00 0.00 173.10 176.52 2ey2 s LEU 89 N -2.46 4.51 0.15 0.66 1.43 0.75 -0.78 118.68 122.93 2ey2 s LEU 89 Ca 0.57 -1.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.19 2ey2 s LEU 89 Cb -0.41 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 43.98 2ey2 s LEU 89 CO 0.53 -0.38 0.39 0.00 0.23 0.00 0.00 176.35 177.13 2ey2 s ALA 90 N 1.35 -0.68 -0.04 4.21 0.00 -1.11 -4.31 121.76 121.18 2ey2 s ALA 90 Ca -0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 51.96 51.43 2ey2 s ALA 90 Cb -0.21 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.62 2ey2 s ALA 90 CO 0.01 -0.68 0.59 0.71 0.00 0.00 0.00 175.76 176.40 2ey2 s TYR 91 N -3.86 3.63 -0.11 0.00 2.02 0.17 -1.33 117.35 117.88 2ey2 s TYR 91 Ca 0.08 1.15 -0.00 0.00 -0.37 0.00 0.00 57.07 57.93 2ey2 s TYR 91 Cb 0.02 -2.64 -0.02 0.00 -0.40 0.00 0.00 41.96 38.92 2ey2 s TYR 91 CO -0.07 0.27 -0.10 0.42 -1.57 0.00 0.00 175.55 174.50 2ey2 s ILE 92 N 0.14 3.40 -0.10 2.71 -1.09 -1.26 -0.87 121.20 124.12 2ey2 s ILE 92 Ca 0.31 -0.56 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 2ey2 s ILE 92 Cb -0.18 -2.42 -0.01 0.00 -1.58 0.00 0.00 42.46 38.27 2ey2 s ILE 92 CO 0.16 0.55 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.94 2ey2 s TYR 93 N -0.11 2.70 -0.22 3.97 1.51 0.19 -0.28 117.35 125.10 2ey2 s TYR 93 Ca -0.00 -0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 55.39 2ey2 s TYR 93 Cb -0.13 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 39.98 2ey2 s TYR 93 CO 0.03 -0.19 -0.10 0.00 -1.11 0.00 0.00 175.55 174.18 2ey2 s ALA 94 N 0.12 2.61 -1.49 3.71 0.00 0.00 -1.22 121.76 125.49 2ey2 s ALA 94 Ca -0.08 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 2ey2 s ALA 94 Cb -0.15 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.44 2ey2 s ALA 94 CO 0.05 -0.63 0.13 -0.25 0.00 0.00 0.00 175.76 175.06 2ey2 n ASP 95 N 4.66 0.04 0.00 0.00 8.00 0.33 -1.08 116.55 128.51 2ey2 n ASP 95 Ca -0.18 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.04 2ey2 n ASP 95 Cb 0.48 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 2ey2 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ey2 n GLY 96 N -2.49 1.16 3.51 0.44 0.00 -1.26 -5.01 105.19 101.54 2ey2 n GLY 96 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2ey2 n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ey2 s LYS 97 N -0.09 3.72 -0.07 1.61 1.02 -0.24 -5.04 119.74 120.65 2ey2 s LYS 97 Ca 0.00 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 2ey2 s LYS 97 Cb 0.00 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 2ey2 s LYS 97 CO 0.00 0.15 1.42 1.41 -0.92 0.00 0.00 175.35 177.40 2ey2 s MET 98 N 0.65 4.24 0.24 1.68 -2.45 -1.26 -0.82 119.30 121.59 2ey2 s MET 98 Ca 0.00 1.92 -0.06 0.00 -1.25 0.00 0.00 55.69 56.29 2ey2 s MET 98 Cb -0.14 -3.75 0.25 0.00 1.25 0.00 0.00 34.83 32.44 2ey2 s MET 98 CO 0.02 -0.69 1.89 0.28 1.05 0.00 0.00 175.02 177.57 2ey2 h VAL 99 N 5.29 1.26 -0.70 10.11 2.07 -1.01 -2.15 116.25 131.13 2ey2 h VAL 99 Ca -0.34 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 66.66 2ey2 h VAL 99 Cb 1.15 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2ey2 h VAL 99 CO 0.94 0.27 0.41 0.78 0.02 0.00 0.00 177.57 179.99 2ey2 h ASN 100 N 1.29 0.62 -0.18 0.57 4.21 -1.91 -2.18 115.58 118.00 2ey2 h ASN 100 Ca 0.33 0.02 -0.12 0.00 1.21 0.00 0.00 56.30 57.74 2ey2 h ASN 100 Cb -0.04 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.05 2ey2 h ASN 100 CO -0.06 0.41 -0.36 -0.08 -1.29 0.00 0.00 177.43 176.05 2ey2 h GLU 101 N 0.76 0.56 -0.88 0.81 4.22 -1.88 -3.03 114.58 115.13 2ey2 h GLU 101 Ca 0.31 -0.36 0.12 0.00 0.08 0.00 0.00 59.36 59.50 2ey2 h GLU 101 Cb 0.15 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 2ey2 h GLU 101 CO -0.17 0.98 0.51 0.00 -2.18 0.00 0.00 179.01 178.15 2ey2 h ALA 102 N 0.58 1.31 -0.72 2.92 0.00 -1.25 0.33 119.26 122.43 2ey2 h ALA 102 Ca 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2ey2 h ALA 102 Cb 0.96 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2ey2 h ALA 102 CO 0.08 0.09 0.39 -0.07 0.00 0.00 0.00 179.25 179.73 2ey2 h LEU 103 N 0.81 0.91 -0.17 0.00 3.38 -1.37 -1.79 115.31 117.07 2ey2 h LEU 103 Ca 0.45 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 58.15 2ey2 h LEU 103 Cb 0.48 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2ey2 h LEU 103 CO -0.28 0.75 -0.53 0.58 0.09 0.00 0.00 178.44 179.05 2ey2 h VAL 104 N 0.99 1.32 -0.45 1.22 2.07 -1.15 -1.08 116.25 119.18 2ey2 h VAL 104 Ca 0.25 -1.77 0.07 0.00 0.82 0.00 0.00 66.70 66.07 2ey2 h VAL 104 Cb 0.05 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2ey2 h VAL 104 CO -0.04 0.55 0.30 -0.09 0.02 0.00 0.00 177.57 178.31 2ey2 h ARG 105 N 0.35 0.31 -0.20 1.57 9.65 -0.21 -2.02 114.38 123.82 2ey2 h ARG 105 Ca -0.02 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2ey2 h ARG 105 Cb 1.15 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2ey2 h ARG 105 CO 0.11 0.20 0.00 1.04 2.80 0.00 0.00 179.97 184.12 2ey2 n GLN 106 N -4.47 1.78 -2.46 0.20 1.13 -0.69 -4.33 117.38 108.55 2ey2 n GLN 106 Ca 0.06 -1.18 -0.16 0.00 -1.94 0.00 0.00 57.00 53.77 2ey2 n GLN 106 Cb 0.29 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.25 2ey2 n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ey2 n GLY 107 N 1.15 -0.28 0.64 1.08 0.00 -0.76 -4.44 105.19 102.58 2ey2 n GLY 107 Ca 0.16 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.07 2ey2 n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ey2 n LEU 108 N -2.55 2.55 -3.62 0.99 4.77 -0.42 -0.69 117.00 118.02 2ey2 n LEU 108 Ca -0.16 -1.43 -0.15 0.00 -0.03 0.00 0.00 56.01 54.24 2ey2 n LEU 108 Cb 0.63 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 2ey2 n LEU 108 CO 0.26 0.56 0.25 0.00 -1.33 0.00 0.00 177.39 177.13 2ey2 s ALA 109 N -1.07 -1.29 0.16 -1.18 0.00 -1.14 -4.43 121.76 112.81 2ey2 s ALA 109 Ca 0.21 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.91 2ey2 s ALA 109 Cb 0.13 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 2ey2 s ALA 109 CO 0.18 -0.40 0.29 0.15 0.00 0.00 0.00 175.76 175.98 2ey2 s LYS 110 N -1.78 3.41 0.01 0.00 1.02 -0.56 -4.47 119.74 117.37 2ey2 s LYS 110 Ca -0.09 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 2ey2 s LYS 110 Cb -0.02 -2.94 -0.05 0.00 -0.52 0.00 0.00 37.83 34.31 2ey2 s LYS 110 CO 0.03 0.51 1.26 0.08 -0.92 0.00 0.00 175.35 176.31 2ey2 s VAL 111 N -1.77 3.99 1.17 3.17 1.01 -1.26 -1.62 120.40 125.08 2ey2 s VAL 111 Ca 0.34 1.38 -0.16 0.00 0.00 0.00 0.00 61.98 63.54 2ey2 s VAL 111 Cb -0.11 -3.89 0.27 0.00 0.00 0.00 0.00 36.38 32.66 2ey2 s VAL 111 CO 0.28 0.05 1.05 0.00 0.00 0.00 0.00 175.10 176.48 2ey2 s ALA 112 N 1.76 0.12 0.16 5.51 0.00 0.64 -4.83 121.76 125.12 2ey2 s ALA 112 Ca 0.59 -0.53 -0.31 0.00 0.00 0.00 0.00 51.96 51.71 2ey2 s ALA 112 Cb -0.29 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 2ey2 s ALA 112 CO 0.26 -3.64 1.40 -0.47 0.00 0.00 0.00 175.76 173.31 2ey2 s TYR 113 N -2.72 3.20 -0.10 0.00 5.04 -1.26 -4.93 117.35 116.58 2ey2 s TYR 113 Ca 0.68 0.98 -0.09 0.00 -2.44 0.00 0.00 57.07 56.21 2ey2 s TYR 113 Cb -0.17 -3.71 -0.04 0.00 0.35 0.00 0.00 41.96 38.38 2ey2 s TYR 113 CO 0.59 -2.43 0.19 0.08 -1.34 0.00 0.00 175.55 172.65 2ey2 s VAL 114 N 0.74 5.41 -0.29 3.14 1.01 -1.26 -4.97 120.40 124.19 2ey2 s VAL 114 Ca 0.63 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.98 2ey2 s VAL 114 Cb -0.38 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.61 2ey2 s VAL 114 CO 0.34 0.60 -0.05 -0.31 0.00 0.00 0.00 175.10 175.69 2ey2 s TYR 115 N -0.99 3.30 0.60 5.22 2.02 -1.26 -5.08 117.35 121.15 2ey2 s TYR 115 Ca 0.17 -2.48 -0.19 0.00 -0.37 0.00 0.00 57.07 54.20 2ey2 s TYR 115 Cb -0.13 -2.22 -0.03 0.00 -0.40 0.00 0.00 41.96 39.19 2ey2 s TYR 115 CO 0.06 -0.89 1.25 0.15 -1.57 0.00 0.00 175.55 174.55 2ey2 s LYS 116 N 1.08 2.87 -0.15 -0.62 1.02 -1.26 -0.16 119.74 122.52 2ey2 s LYS 116 Ca -0.02 1.96 0.10 0.00 0.02 0.00 0.00 55.97 58.03 2ey2 s LYS 116 Cb -0.19 -1.95 0.56 0.00 -0.52 0.00 0.00 37.83 35.72 2ey2 s LYS 116 CO -0.07 -1.32 1.36 -0.35 -0.92 0.00 0.00 175.35 174.05 2ey2 n PRO 117 N -1.59 3.59 -2.59 -1.68 -0.04 -1.26 -5.00 135.00 126.42 2ey2 n PRO 117 Ca 0.14 -2.14 -0.43 0.00 -0.04 0.00 0.00 63.50 61.03 2ey2 n PRO 117 Cb 0.48 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2ey2 n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ey2 n ASN 118 N 0.47 5.22 -0.71 3.54 3.02 0.77 -4.24 115.26 123.32 2ey2 n ASN 118 Ca 0.19 -3.08 -0.00 0.00 -0.03 0.00 0.00 54.58 51.65 2ey2 n ASN 118 Cb 0.87 -1.49 -0.01 0.00 -0.61 0.00 0.00 39.78 38.54 2ey2 n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2ey2 n ASN 119 N 4.26 0.02 -0.18 6.41 2.04 -1.26 -4.40 115.26 122.15 2ey2 n ASN 119 Ca 0.38 -1.66 -0.03 0.00 -0.44 0.00 0.00 54.58 52.82 2ey2 n ASN 119 Cb 0.38 -0.08 0.06 0.00 -2.53 0.00 0.00 39.78 37.61 2ey2 n ASN 119 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 2ey2 h THR 120 N 6.07 0.94 -0.40 5.53 2.02 -1.98 -1.42 112.91 123.66 2ey2 h THR 120 Ca -0.11 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2ey2 h THR 120 Cb 1.34 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2ey2 h THR 120 CO -0.02 0.09 0.03 1.41 0.37 0.00 0.00 175.52 177.40 2ey2 n HIS 121 N -4.88 1.43 -0.30 3.16 8.25 -1.26 -4.54 115.22 117.09 2ey2 n HIS 121 Ca 0.05 -0.55 -0.02 0.00 -0.26 0.00 0.00 57.72 56.95 2ey2 n HIS 121 Cb 0.16 -0.40 0.10 0.00 1.12 0.00 0.00 29.99 30.97 2ey2 n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2ey2 h GLU 122 N 2.50 0.98 -0.22 -0.41 4.81 -1.64 -2.60 114.58 118.01 2ey2 h GLU 122 Ca 0.03 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 2ey2 h GLU 122 Cb 1.54 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 2ey2 h GLU 122 CO 0.36 0.65 -0.26 1.96 -0.73 0.00 0.00 179.01 180.99 2ey2 h GLN 123 N 1.01 0.56 -0.54 1.92 1.08 -1.81 -1.69 115.11 115.65 2ey2 h GLN 123 Ca 0.33 -0.31 0.06 0.00 -1.45 0.00 0.00 58.65 57.28 2ey2 h GLN 123 Cb 0.02 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.41 2ey2 h GLN 123 CO -0.12 0.91 0.24 1.25 -0.95 0.00 0.00 178.83 180.16 2ey2 h HIS 124 N 0.25 0.43 -0.55 2.96 2.76 -1.88 -1.55 115.15 117.57 2ey2 h HIS 124 Ca 0.03 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.14 2ey2 h HIS 124 Cb 0.82 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.65 2ey2 h HIS 124 CO 0.08 0.17 0.01 -0.07 -1.30 0.00 0.00 177.93 176.82 2ey2 h LEU 125 N 0.45 0.91 -1.02 0.26 3.38 -1.32 -0.95 115.31 117.02 2ey2 h LEU 125 Ca 0.25 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2ey2 h LEU 125 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2ey2 h LEU 125 CO -0.22 0.96 -0.10 0.03 0.09 0.00 0.00 178.44 179.20 2ey2 h ARG 126 N 0.87 0.59 -0.55 1.13 3.08 -0.85 0.31 114.38 118.96 2ey2 h ARG 126 Ca 0.16 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2ey2 h ARG 126 Cb 0.50 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2ey2 h ARG 126 CO 0.02 0.69 0.08 0.87 -1.07 0.00 0.00 179.97 180.56 2ey2 h LYS 127 N 0.54 0.91 -0.15 0.04 1.57 -1.08 0.21 116.57 118.61 2ey2 h LYS 127 Ca 0.10 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 2ey2 h LYS 127 Cb 0.50 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2ey2 h LYS 127 CO 0.03 0.88 -0.45 0.77 -0.57 0.00 0.00 179.45 180.11 2ey2 h SER 128 N 0.80 0.39 -0.41 0.86 0.02 -0.52 -2.82 113.55 111.86 2ey2 h SER 128 Ca 0.17 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 2ey2 h SER 128 Cb 0.42 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2ey2 h SER 128 CO 0.01 0.79 0.01 -0.08 -1.14 0.00 0.00 176.83 176.42 2ey2 h GLU 129 N 0.30 0.80 -0.43 3.45 4.81 -0.16 -1.01 114.58 122.35 2ey2 h GLU 129 Ca 0.02 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 58.98 2ey2 h GLU 129 Cb 0.91 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 2ey2 h GLU 129 CO 0.08 0.80 0.02 0.00 -0.73 0.00 0.00 179.01 179.18 2ey2 h ALA 130 N 1.26 1.24 -0.26 2.92 0.00 -0.72 -1.91 119.26 121.78 2ey2 h ALA 130 Ca 0.15 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2ey2 h ALA 130 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ey2 h ALA 130 CO 0.02 0.51 -0.16 0.37 0.00 0.00 0.00 179.25 179.99 2ey2 h GLN 131 N 0.65 0.56 -0.21 0.00 5.75 -1.25 0.12 115.11 120.73 2ey2 h GLN 131 Ca 0.13 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 2ey2 h GLN 131 Cb 0.37 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 2ey2 h GLN 131 CO 0.01 0.83 0.08 0.00 -2.65 0.00 0.00 178.83 177.11 2ey2 h ALA 132 N 0.72 1.75 -0.11 3.38 0.00 -0.97 0.23 119.26 124.25 2ey2 h ALA 132 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ey2 h ALA 132 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2ey2 h ALA 132 CO 0.04 0.21 -0.01 0.87 0.00 0.00 0.00 179.25 180.36 2ey2 h LYS 133 N 0.30 0.21 -0.82 0.00 1.57 -1.15 -0.87 116.57 115.81 2ey2 h LYS 133 Ca 0.08 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2ey2 h LYS 133 Cb 0.07 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2ey2 h LYS 133 CO -0.01 0.47 0.54 -0.22 -0.57 0.00 0.00 179.45 179.66 2ey2 h LYS 134 N -0.08 1.01 -0.07 3.15 1.63 -0.23 -0.95 116.57 121.03 2ey2 h LYS 134 Ca 0.03 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2ey2 h LYS 134 Cb 0.38 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2ey2 h LYS 134 CO 0.01 0.67 0.00 0.39 -3.45 0.00 0.00 179.45 177.07 2ey2 n GLU 135 N -4.44 1.62 -3.83 1.90 1.02 0.76 -4.95 120.64 112.72 2ey2 n GLU 135 Ca 0.10 -0.92 -0.24 0.00 -0.02 0.00 0.00 57.16 56.09 2ey2 n GLU 135 Cb 0.08 -1.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.07 2ey2 n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2ey2 n LYS 136 N 0.12 -4.25 -3.35 3.49 5.02 -0.36 -4.95 118.16 113.88 2ey2 n LYS 136 Ca 0.18 0.53 -0.38 0.00 -2.02 0.00 0.00 58.31 56.61 2ey2 n LYS 136 Cb 0.32 -4.93 -0.06 0.00 -0.02 0.00 0.00 35.03 30.34 2ey2 n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ey2 s LEU 137 N -6.84 4.45 0.00 -0.35 1.43 -0.41 -3.62 118.68 113.34 2ey2 s LEU 137 Ca 0.05 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 2ey2 s LEU 137 Cb -0.03 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.44 2ey2 s LEU 137 CO 0.85 0.22 0.00 0.59 0.23 0.00 0.00 176.35 178.23 2ey2 n ASN 138 N 2.26 0.00 0.19 2.29 3.02 -1.26 -0.20 115.26 121.56 2ey2 n ASN 138 Ca -0.11 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.61 2ey2 n ASN 138 Cb 0.51 0.00 0.79 0.00 -0.61 0.00 0.00 39.78 40.47 2ey2 n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2ey2 h ILE 139 N 0.00 0.59 -0.46 2.41 2.04 -1.21 -1.82 117.51 119.05 2ey2 h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2ey2 h ILE 139 Cb 0.00 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2ey2 h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 2ey2 n TRP 140 N -3.99 0.61 1.47 1.37 7.02 0.72 -5.13 117.44 119.51 2ey2 n TRP 140 Ca 0.02 -0.31 0.14 0.00 -1.02 0.00 0.00 57.50 56.33 2ey2 n TRP 140 Cb 0.32 0.00 0.50 0.00 -2.42 0.00 0.00 31.31 29.71 2ey2 n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54