#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj3 s SER 2 N 0.00 4.69 -1.83 1.61 0.01 -1.26 -4.79 113.70 112.13 2dj3 s SER 2 Ca 0.00 -2.69 -0.21 0.00 1.31 0.00 0.00 55.95 54.36 2dj3 s SER 2 Cb 0.00 -1.70 0.20 0.00 0.21 0.00 0.00 66.02 64.74 2dj3 s SER 2 CO 0.00 -0.32 0.58 -0.24 0.41 0.00 0.00 173.24 173.67 2dj3 n SER 3 N 3.59 -1.85 0.00 2.44 2.88 -1.26 -4.49 113.62 114.93 2dj3 n SER 3 Ca 0.05 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 2dj3 n SER 3 Cb 0.36 -1.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.01 2dj3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj3 n GLY 4 N -1.25 0.44 2.32 0.46 0.00 -1.26 -4.80 105.19 101.09 2dj3 n GLY 4 Ca 0.07 -2.28 -0.28 0.00 0.00 0.00 0.00 46.02 43.53 2dj3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dj3 n SER 5 N 0.07 5.47 -4.24 1.61 7.64 -1.26 -4.86 113.62 118.04 2dj3 n SER 5 Ca 0.00 -3.75 -0.35 0.00 1.01 0.00 0.00 58.87 55.78 2dj3 n SER 5 Cb 0.00 -0.54 -0.14 0.00 -1.01 0.00 0.00 64.21 62.52 2dj3 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dj3 s SER 6 N -3.10 4.45 -0.01 6.43 1.04 -1.26 -4.92 113.70 116.34 2dj3 s SER 6 Ca 0.52 -0.76 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 2dj3 s SER 6 Cb 0.42 -1.72 0.01 0.00 0.10 0.00 0.00 66.02 64.83 2dj3 s SER 6 CO -0.10 -0.12 0.04 0.61 0.98 0.00 0.00 173.24 174.65 2dj3 n GLY 7 N 4.73 -5.84 0.15 7.32 0.00 -1.26 -4.92 105.19 105.37 2dj3 n GLY 7 Ca -0.16 0.35 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2dj3 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj3 h PRO 8 N 4.30 0.42 -6.30 1.61 0.13 -1.91 -3.43 132.00 126.82 2dj3 h PRO 8 Ca -0.09 -0.22 -0.54 0.00 -0.87 0.00 0.00 66.00 64.28 2dj3 h PRO 8 Cb 0.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.33 2dj3 h PRO 8 CO 0.00 0.78 1.16 0.08 -0.23 0.00 0.00 178.00 179.79 2dj3 s VAL 9 N -4.33 3.33 0.32 1.56 1.01 -1.26 -4.76 120.40 116.27 2dj3 s VAL 9 Ca -0.14 0.40 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 2dj3 s VAL 9 Cb 0.06 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 2dj3 s VAL 9 CO 0.77 -0.04 1.13 -0.75 0.00 0.00 0.00 175.10 176.20 2dj3 s LYS 10 N 4.29 4.48 -0.14 2.72 2.20 -1.13 -4.80 119.74 127.36 2dj3 s LYS 10 Ca 0.80 1.83 -0.08 0.00 -0.36 0.00 0.00 55.97 58.16 2dj3 s LYS 10 Cb -0.37 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 2dj3 s LYS 10 CO 0.35 0.06 0.15 0.14 -0.36 0.00 0.00 175.35 175.69 2dj3 s VAL 11 N -1.25 5.45 0.08 4.02 -7.23 -1.26 0.16 120.40 120.37 2dj3 s VAL 11 Ca 0.48 0.24 0.08 0.00 -1.81 0.00 0.00 61.98 60.98 2dj3 s VAL 11 Cb -0.32 -3.44 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 2dj3 s VAL 11 CO 0.41 0.56 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.85 2dj3 s VAL 12 N -0.60 1.74 0.37 1.32 1.01 0.10 -4.89 120.40 119.45 2dj3 s VAL 12 Ca 0.14 -1.42 0.05 0.00 0.00 0.00 0.00 61.98 60.75 2dj3 s VAL 12 Cb -0.12 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 2dj3 s VAL 12 CO 0.03 0.06 0.03 0.68 0.00 0.00 0.00 175.10 175.90 2dj3 s VAL 13 N -1.01 1.59 0.55 2.92 -7.23 -1.26 -4.35 120.40 111.61 2dj3 s VAL 13 Ca 0.07 -2.00 0.28 0.00 -1.81 0.00 0.00 61.98 58.53 2dj3 s VAL 13 Cb -0.10 -2.89 0.43 0.00 0.56 0.00 0.00 36.38 34.38 2dj3 s VAL 13 CO 0.03 0.00 1.94 1.23 -0.31 0.00 0.00 175.10 177.99 2dj3 h GLY 14 N 1.93 0.00 1.80 2.32 0.00 -1.91 1.89 103.07 109.10 2dj3 h GLY 14 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2dj3 h GLY 14 CO 0.75 0.00 -0.19 0.07 0.00 0.00 0.00 176.54 177.17 2dj3 h LYS 15 N 0.00 0.00 0.00 4.80 2.10 -1.95 -3.29 116.57 118.23 2dj3 h LYS 15 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 2dj3 h LYS 15 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2dj3 h LYS 15 CO -0.00 0.00 -0.09 0.25 -2.00 0.00 0.00 179.45 177.61 2dj3 n THR 16 N -2.81 1.27 -0.05 0.07 -2.24 0.19 -4.75 114.28 105.95 2dj3 n THR 16 Ca 0.04 -1.48 -0.08 0.00 -2.27 0.00 0.00 64.05 60.25 2dj3 n THR 16 Cb 0.51 0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 2dj3 n THR 16 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2dj3 h PHE 17 N 0.00 -0.02 0.00 4.78 3.04 0.25 -1.94 116.94 123.06 2dj3 h PHE 17 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2dj3 h PHE 17 Cb 0.97 0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.49 2dj3 h PHE 17 CO 0.02 0.53 0.00 -0.25 -2.02 0.00 0.00 178.31 176.58 2dj3 n ASP 18 N -4.70 0.00 -0.11 0.41 9.92 -1.26 -1.21 116.55 119.59 2dj3 n ASP 18 Ca -0.06 0.10 -0.23 0.00 -0.53 0.00 0.00 54.79 54.08 2dj3 n ASP 18 Cb 0.26 -0.31 -0.12 0.00 -0.64 0.00 0.00 41.12 40.32 2dj3 n ASP 18 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dj3 n ALA 19 N -1.31 1.21 -0.00 2.24 0.00 -1.24 -4.26 120.51 117.15 2dj3 n ALA 19 Ca 0.07 -0.97 -0.00 0.00 0.00 0.00 0.00 53.44 52.54 2dj3 n ALA 19 Cb 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 19.45 19.42 2dj3 n ALA 19 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2dj3 n ILE 20 N -3.71 0.07 0.13 0.00 5.41 -0.73 -3.75 119.36 116.78 2dj3 n ILE 20 Ca -0.45 0.48 0.18 0.00 1.00 0.00 0.00 62.75 63.96 2dj3 n ILE 20 Cb 0.94 -1.54 0.61 0.00 -0.71 0.00 0.00 39.64 38.94 2dj3 n ILE 20 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dj3 h VAL 21 N -0.05 0.15 -0.62 1.39 2.07 -1.31 0.71 116.25 118.59 2dj3 h VAL 21 Ca 0.00 0.00 -0.41 0.00 0.82 0.00 0.00 66.70 67.11 2dj3 h VAL 21 Cb 0.04 0.45 -0.25 0.00 -1.52 0.00 0.00 31.29 30.00 2dj3 h VAL 21 CO 0.00 0.00 -0.12 0.23 0.02 0.00 0.00 177.57 177.70 2dj3 n MET 22 N -3.24 2.58 -2.38 1.57 2.81 -0.82 -4.54 117.12 113.11 2dj3 n MET 22 Ca 0.07 -3.53 -0.43 0.00 -1.81 0.00 0.00 57.70 52.00 2dj3 n MET 22 Cb 0.78 -2.07 -0.02 0.00 -0.71 0.00 0.00 33.22 31.20 2dj3 n MET 22 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2dj3 s ASP 23 N -2.73 6.41 0.00 7.83 1.01 0.25 -4.76 116.67 124.69 2dj3 s ASP 23 Ca 0.51 0.87 0.05 0.00 0.71 0.00 0.00 52.55 54.68 2dj3 s ASP 23 Cb 0.43 -2.54 0.27 0.00 1.01 0.00 0.00 42.92 42.09 2dj3 s ASP 23 CO 0.01 -1.36 0.74 -0.81 0.21 0.00 0.00 175.17 173.96 2dj3 n PRO 24 N 7.93 0.49 -0.11 8.23 -0.04 -1.26 -2.86 135.00 147.37 2dj3 n PRO 24 Ca 0.16 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.37 2dj3 n PRO 24 Cb 0.48 -1.15 -0.11 0.00 -0.04 0.00 0.00 33.50 32.68 2dj3 n PRO 24 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dj3 n LYS 25 N -0.65 0.61 -4.02 0.54 5.02 -1.26 -4.59 118.16 113.82 2dj3 n LYS 25 Ca 0.03 0.32 -0.08 0.00 -2.02 0.00 0.00 58.31 56.57 2dj3 n LYS 25 Cb 0.02 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.34 2dj3 n LYS 25 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2dj3 s LYS 26 N -2.48 0.55 0.06 1.97 -2.85 -1.14 -4.91 119.74 110.95 2dj3 s LYS 26 Ca -0.34 -0.98 -0.31 0.00 -1.00 0.00 0.00 55.97 53.34 2dj3 s LYS 26 Cb 0.11 0.20 -0.06 0.00 -2.06 0.00 0.00 37.83 36.02 2dj3 s LYS 26 CO 0.57 -0.11 1.23 -0.51 0.10 0.00 0.00 175.35 176.62 2dj3 s ASP 27 N -2.45 7.04 -0.20 0.03 1.01 -1.12 -4.28 116.67 116.70 2dj3 s ASP 27 Ca -0.00 2.05 -0.01 0.00 0.71 0.00 0.00 52.55 55.29 2dj3 s ASP 27 Cb 0.02 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.38 2dj3 s ASP 27 CO -0.07 -0.50 -0.13 -0.69 0.21 0.00 0.00 175.17 173.98 2dj3 s VAL 28 N 1.16 2.60 -0.61 -1.27 1.01 -0.97 -3.09 120.40 119.24 2dj3 s VAL 28 Ca 0.59 -0.78 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 2dj3 s VAL 28 Cb -0.30 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 33.98 2dj3 s VAL 28 CO 0.29 0.47 0.95 -0.22 0.00 0.00 0.00 175.10 176.59 2dj3 s LEU 29 N 1.36 4.25 -0.08 3.92 2.96 -1.21 -2.60 118.68 127.28 2dj3 s LEU 29 Ca 0.05 -0.69 -0.19 0.00 -0.22 0.00 0.00 54.13 53.08 2dj3 s LEU 29 Cb -0.14 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 2dj3 s LEU 29 CO -0.09 -1.34 0.52 -0.51 -1.32 0.00 0.00 176.35 173.61 2dj3 s ILE 30 N 4.00 5.11 -0.28 6.68 1.10 0.88 -1.53 121.20 137.15 2dj3 s ILE 30 Ca 0.26 1.05 0.03 0.00 -0.51 0.00 0.00 60.65 61.47 2dj3 s ILE 30 Cb -0.15 -3.85 0.07 0.00 0.15 0.00 0.00 42.46 38.68 2dj3 s ILE 30 CO 0.14 0.36 -0.04 -0.70 -2.11 0.00 0.00 174.94 172.59 2dj3 s GLU 31 N 0.34 1.81 -0.50 3.50 2.56 -1.00 0.82 118.70 126.23 2dj3 s GLU 31 Ca 0.28 -1.42 -0.28 0.00 0.00 0.00 0.00 54.97 53.55 2dj3 s GLU 31 Cb -0.16 -2.88 0.01 0.00 2.00 0.00 0.00 34.13 33.10 2dj3 s GLU 31 CO 0.13 -0.71 1.43 -0.06 -0.56 0.00 0.00 175.26 175.49 2dj3 s PHE 32 N 1.13 2.30 0.13 5.30 0.08 0.20 -2.04 117.98 125.09 2dj3 s PHE 32 Ca -0.02 0.56 0.05 0.00 0.12 0.00 0.00 56.93 57.65 2dj3 s PHE 32 Cb -0.19 -4.35 -0.04 0.00 -0.57 0.00 0.00 43.02 37.87 2dj3 s PHE 32 CO -0.07 -1.99 0.07 1.52 -0.10 0.00 0.00 175.22 174.64 2dj3 s TYR 33 N 5.93 3.07 -0.18 0.36 -0.85 -0.43 -2.20 117.35 123.05 2dj3 s TYR 33 Ca 0.57 -0.02 -0.01 0.00 -0.52 0.00 0.00 57.07 57.08 2dj3 s TYR 33 Cb -0.12 -1.52 -0.01 0.00 0.38 0.00 0.00 41.96 40.70 2dj3 s TYR 33 CO 0.28 0.51 -0.11 0.00 -1.52 0.00 0.00 175.55 174.71 2dj3 s ALA 34 N -1.57 2.65 -2.00 9.51 0.00 -1.26 -4.14 121.76 124.95 2dj3 s ALA 34 Ca 0.29 -1.06 0.13 0.00 0.00 0.00 0.00 51.96 51.31 2dj3 s ALA 34 Cb -0.11 -1.41 0.77 0.00 0.00 0.00 0.00 23.12 22.37 2dj3 s ALA 34 CO 0.21 -0.14 1.20 -0.35 0.00 0.00 0.00 175.76 176.68 2dj3 n PRO 35 N 4.25 0.49 -0.08 0.00 -0.04 -1.26 -1.90 135.00 136.46 2dj3 n PRO 35 Ca -0.19 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.32 2dj3 n PRO 35 Cb 0.51 -1.41 0.06 0.00 -0.04 0.00 0.00 33.50 32.63 2dj3 n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dj3 n TRP 36 N -0.91 0.00 -4.09 0.54 4.27 -1.26 -4.98 117.44 111.00 2dj3 n TRP 36 Ca 0.10 -0.64 -0.33 0.00 -3.89 0.00 0.00 57.50 52.74 2dj3 n TRP 36 Cb 0.04 -0.09 -0.16 0.00 -1.36 0.00 0.00 31.31 29.75 2dj3 n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dj3 h GLY 38 N 7.87 0.00 2.00 0.00 0.00 -1.94 -1.10 103.07 109.90 2dj3 h GLY 38 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2dj3 h GLY 38 CO 0.56 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.52 2dj3 n HIS 39 N -2.78 0.61 0.00 5.60 8.25 -1.26 -2.82 115.22 122.83 2dj3 n HIS 39 Ca -0.02 0.24 -0.22 0.00 -0.26 0.00 0.00 57.72 57.47 2dj3 n HIS 39 Cb 0.11 -0.89 -0.14 0.00 1.12 0.00 0.00 29.99 30.19 2dj3 n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dj3 h LYS 41 N -0.23 0.45 0.00 0.00 2.10 -1.62 1.72 116.57 118.98 2dj3 h LYS 41 Ca -0.34 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.16 2dj3 h LYS 41 Cb 1.82 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 33.03 2dj3 h LYS 41 CO 0.05 0.29 -0.56 -0.56 -2.00 0.00 0.00 179.45 176.67 2dj3 h GLN 42 N 0.46 0.00 0.00 0.07 3.07 -1.69 -3.05 115.11 113.96 2dj3 h GLN 42 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.16 2dj3 h GLN 42 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.51 2dj3 h GLN 42 CO -0.16 0.56 -1.21 -0.11 0.09 0.00 0.00 178.83 178.01 2dj3 n LEU 43 N -3.82 0.63 -0.08 0.06 7.94 0.77 -4.28 117.00 118.21 2dj3 n LEU 43 Ca -0.01 -0.21 -0.12 0.00 -1.11 0.00 0.00 56.01 54.56 2dj3 n LEU 43 Cb 0.58 -0.04 -0.06 0.00 0.53 0.00 0.00 43.42 44.42 2dj3 n LEU 43 CO 0.41 0.12 0.56 -0.33 -1.11 0.00 0.00 177.39 177.04 2dj3 h GLU 44 N 0.00 -0.40 -0.27 1.96 5.08 0.25 0.29 114.58 121.50 2dj3 h GLU 44 Ca 0.00 0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 2dj3 h GLU 44 Cb 0.69 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2dj3 h GLU 44 CO 0.00 -0.26 -0.42 -1.00 -1.00 0.00 0.00 179.01 176.33 2dj3 h PRO 45 N -0.41 0.65 -0.89 2.33 0.13 -1.78 -2.72 132.00 129.30 2dj3 h PRO 45 Ca 0.10 -0.34 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 2dj3 h PRO 45 Cb 0.61 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.71 2dj3 h PRO 45 CO -0.51 0.95 0.53 0.82 -0.23 0.00 0.00 178.00 179.56 2dj3 h ILE 46 N 0.53 1.25 -0.01 -3.56 2.04 -1.56 -2.22 117.51 113.98 2dj3 h ILE 46 Ca 0.04 -0.56 -0.13 0.00 1.00 0.00 0.00 64.86 65.21 2dj3 h ILE 46 Cb 0.95 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2dj3 h ILE 46 CO 0.09 0.27 -0.61 0.22 0.00 0.00 0.00 178.15 178.11 2dj3 h TYR 47 N 1.23 0.04 0.35 1.37 3.20 -0.40 -3.01 116.97 119.77 2dj3 h TYR 47 Ca 0.32 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 2dj3 h TYR 47 Cb -0.04 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2dj3 h TYR 47 CO 0.00 0.63 -0.39 1.15 -1.64 0.00 0.00 178.16 177.92 2dj3 h THR 48 N 0.02 0.00 -0.92 1.81 2.02 -1.07 -1.98 112.91 112.79 2dj3 h THR 48 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2dj3 h THR 48 Cb 1.09 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 2dj3 h THR 48 CO 0.08 0.00 0.60 0.28 0.37 0.00 0.00 175.52 176.86 2dj3 h SER 49 N -0.75 0.98 -0.42 4.18 0.02 -1.62 -0.76 113.55 115.19 2dj3 h SER 49 Ca -0.04 -0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.02 2dj3 h SER 49 Cb 0.66 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 2dj3 h SER 49 CO -0.07 0.67 0.34 0.25 -1.14 0.00 0.00 176.83 176.88 2dj3 h LEU 50 N 1.14 0.00 0.00 5.07 5.85 -1.33 -0.27 115.31 125.77 2dj3 h LEU 50 Ca 0.37 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 2dj3 h LEU 50 Cb 0.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2dj3 h LEU 50 CO -0.12 0.00 -0.40 1.23 -0.34 0.00 0.00 178.44 178.81 2dj3 h GLY 51 N 0.00 0.00 1.15 3.75 0.00 -0.41 -2.97 103.07 104.59 2dj3 h GLY 51 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.56 2dj3 h GLY 51 CO -0.00 0.00 0.39 0.07 0.00 0.00 0.00 176.54 177.00 2dj3 h LYS 52 N -1.00 0.00 0.15 4.80 2.10 -1.27 1.86 116.57 123.21 2dj3 h LYS 52 Ca -0.02 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.31 2dj3 h LYS 52 Cb 0.42 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2dj3 h LYS 52 CO -0.01 0.00 -1.67 1.57 -2.00 0.00 0.00 179.45 177.34 2dj3 h LYS 53 N 0.00 0.31 -0.02 0.07 2.10 -1.19 -3.35 116.57 114.50 2dj3 h LYS 53 Ca 0.05 -0.54 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2dj3 h LYS 53 Cb 0.84 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2dj3 h LYS 53 CO -0.00 1.26 -0.10 0.66 -2.00 0.00 0.00 179.45 179.26 2dj3 n TYR 54 N -3.71 0.00 0.16 0.07 4.02 0.22 -4.04 117.16 113.88 2dj3 n TYR 54 Ca -0.26 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.66 2dj3 n TYR 54 Cb 1.00 -0.03 0.39 0.00 -0.02 0.00 0.00 39.34 40.68 2dj3 n TYR 54 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 2dj3 h LYS 55 N 2.42 0.10 -1.00 -0.72 1.57 0.26 -2.53 116.57 116.68 2dj3 h LYS 55 Ca 0.00 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.50 2dj3 h LYS 55 Cb 0.60 -0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.75 2dj3 h LYS 55 CO 0.00 0.35 0.32 0.41 -0.57 0.00 0.00 179.45 179.95 2dj3 n GLY 56 N -0.72 3.21 3.99 3.86 0.00 -1.26 -4.91 105.19 109.36 2dj3 n GLY 56 Ca -0.02 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 2dj3 n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dj3 s GLN 57 N -1.61 2.15 -0.48 1.61 -1.52 -0.95 -5.05 119.66 113.81 2dj3 s GLN 57 Ca 0.28 -1.07 -0.20 0.00 -1.95 0.00 0.00 55.36 52.41 2dj3 s GLN 57 Cb 0.23 -2.46 0.04 0.00 -0.22 0.00 0.00 33.01 30.61 2dj3 s GLN 57 CO 0.05 -1.02 0.66 0.15 -0.25 0.00 0.00 175.29 174.88 2dj3 s LYS 58 N -4.89 3.20 -0.90 2.91 3.01 -1.26 -4.24 119.74 117.56 2dj3 s LYS 58 Ca 0.62 -0.62 -0.01 0.00 -1.01 0.00 0.00 55.97 54.94 2dj3 s LYS 58 Cb -0.07 -4.03 0.00 0.00 -1.01 0.00 0.00 37.83 32.71 2dj3 s LYS 58 CO 0.41 -1.15 0.76 -0.25 0.51 0.00 0.00 175.35 175.62 2dj3 n ASP 59 N 6.32 -2.47 -3.68 2.83 8.00 -1.26 -4.83 116.55 121.45 2dj3 n ASP 59 Ca -0.04 -0.45 -0.13 0.00 0.71 0.00 0.00 54.79 54.88 2dj3 n ASP 59 Cb 0.47 -3.92 -0.13 0.00 -0.02 0.00 0.00 41.12 37.52 2dj3 n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2dj3 s LEU 60 N -5.29 -0.10 -0.22 0.64 2.96 -1.26 -2.81 118.68 112.61 2dj3 s LEU 60 Ca 0.06 0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 54.54 2dj3 s LEU 60 Cb -0.03 0.79 0.08 0.00 0.50 0.00 0.00 46.19 47.53 2dj3 s LEU 60 CO 0.54 -0.21 0.11 -0.69 -1.32 0.00 0.00 176.35 174.78 2dj3 s VAL 61 N 2.02 -0.09 -0.41 1.68 1.01 -1.18 -4.53 120.40 118.90 2dj3 s VAL 61 Ca -0.03 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 2dj3 s VAL 61 Cb -0.11 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.53 2dj3 s VAL 61 CO -0.09 -0.47 1.35 -0.63 0.00 0.00 0.00 175.10 175.26 2dj3 s ILE 62 N 2.13 3.99 0.29 2.22 1.01 -1.26 -3.32 121.20 126.27 2dj3 s ILE 62 Ca 0.05 1.03 0.11 0.00 0.00 0.00 0.00 60.65 61.85 2dj3 s ILE 62 Cb -0.16 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 2dj3 s ILE 62 CO -0.21 -0.76 -0.17 0.00 0.00 0.00 0.00 174.94 173.80 2dj3 s ALA 63 N 5.10 2.82 0.32 9.38 0.00 -0.58 -2.85 121.76 135.95 2dj3 s ALA 63 Ca 0.58 -1.89 0.05 0.00 0.00 0.00 0.00 51.96 50.70 2dj3 s ALA 63 Cb -0.13 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 2dj3 s ALA 63 CO 0.31 0.25 0.02 -1.59 0.00 0.00 0.00 175.76 174.75 2dj3 s LYS 64 N -3.54 1.65 0.03 0.00 -2.85 0.12 -2.38 119.74 112.77 2dj3 s LYS 64 Ca 0.31 -1.89 -0.27 0.00 -1.00 0.00 0.00 55.97 53.12 2dj3 s LYS 64 Cb -0.04 -1.04 0.07 0.00 -2.06 0.00 0.00 37.83 34.75 2dj3 s LYS 64 CO 0.16 -0.10 0.62 1.41 0.10 0.00 0.00 175.35 177.53 2dj3 s MET 65 N -3.82 1.11 -0.94 1.78 1.75 -0.86 0.02 119.30 118.33 2dj3 s MET 65 Ca 0.34 -0.06 -0.07 0.00 -1.25 0.00 0.00 55.69 54.65 2dj3 s MET 65 Cb 0.07 0.51 0.24 0.00 2.84 0.00 0.00 34.83 38.50 2dj3 s MET 65 CO 0.15 -0.40 0.87 0.16 -0.65 0.00 0.00 175.02 175.15 2dj3 s ASP 66 N -1.79 6.60 0.53 1.11 -4.77 -1.26 -1.32 116.67 115.77 2dj3 s ASP 66 Ca -0.07 -3.37 0.30 0.00 -3.30 0.00 0.00 52.55 46.11 2dj3 s ASP 66 Cb -0.01 -2.08 1.45 0.00 -1.09 0.00 0.00 42.92 41.20 2dj3 s ASP 66 CO 0.01 -0.32 1.92 0.00 0.70 0.00 0.00 175.17 177.48 2dj3 h ALA 67 N 6.74 2.74 -0.71 2.11 0.00 -1.72 0.23 119.26 128.65 2dj3 h ALA 67 Ca 0.14 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.13 2dj3 h ALA 67 Cb 0.90 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2dj3 h ALA 67 CO 0.88 -0.97 0.47 1.79 0.00 0.00 0.00 179.25 181.42 2dj3 h THR 68 N 0.01 0.88 0.00 0.00 1.35 -1.90 -3.10 112.91 110.15 2dj3 h THR 68 Ca 0.38 -0.18 -0.35 0.00 -0.55 0.00 0.00 66.41 65.71 2dj3 h THR 68 Cb 1.50 0.32 -0.06 0.00 -1.73 0.00 0.00 68.15 68.18 2dj3 h THR 68 CO -0.01 0.09 -2.30 0.00 -0.25 0.00 0.00 175.52 173.06 2dj3 n ALA 69 N -2.49 1.50 -2.69 6.62 0.00 0.36 -4.94 120.51 118.88 2dj3 n ALA 69 Ca 0.12 -0.97 -0.38 0.00 0.00 0.00 0.00 53.44 52.22 2dj3 n ALA 69 Cb 0.40 -0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 2dj3 n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dj3 s ASN 70 N -6.29 6.47 -0.21 0.00 0.01 0.55 -5.05 114.94 110.42 2dj3 s ASN 70 Ca -0.31 0.55 -0.29 0.00 -0.71 0.00 0.00 52.86 52.10 2dj3 s ASN 70 Cb 0.08 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.52 2dj3 s ASN 70 CO 0.51 -0.03 1.04 1.51 -1.51 0.00 0.00 177.10 178.63 2dj3 s ASP 71 N 0.87 7.12 -0.87 -1.22 1.47 -1.26 -4.15 116.67 118.62 2dj3 s ASP 71 Ca 0.19 1.42 -0.25 0.00 1.18 0.00 0.00 52.55 55.09 2dj3 s ASP 71 Cb -0.14 -2.54 -0.06 0.00 -0.34 0.00 0.00 42.92 39.83 2dj3 s ASP 71 CO 0.07 -0.64 2.03 -0.63 0.68 0.00 0.00 175.17 176.68 2dj3 s ILE 72 N 3.03 3.37 0.52 2.11 1.01 -1.26 -4.76 121.20 125.21 2dj3 s ILE 72 Ca 0.45 -0.28 0.34 0.00 0.00 0.00 0.00 60.65 61.16 2dj3 s ILE 72 Cb -0.16 -3.82 0.53 0.00 0.01 0.00 0.00 42.46 39.01 2dj3 s ILE 72 CO 0.08 -0.78 1.80 0.71 0.00 0.00 0.00 174.94 176.75 2dj3 h THR 73 N 7.32 0.42 -2.64 2.92 1.35 -1.92 -3.41 112.91 116.95 2dj3 h THR 73 Ca 0.06 -0.02 -0.31 0.00 -0.55 0.00 0.00 66.41 65.59 2dj3 h THR 73 Cb 1.01 0.35 0.18 0.00 -1.73 0.00 0.00 68.15 67.96 2dj3 h THR 73 CO 1.17 0.01 -0.13 -3.20 -0.25 0.00 0.00 175.52 173.12 2dj3 n ASN 74 N -4.26 -3.73 0.00 5.36 2.85 -1.26 -5.01 115.26 109.20 2dj3 n ASN 74 Ca 0.26 -0.76 0.00 0.00 -0.11 0.00 0.00 54.58 53.97 2dj3 n ASN 74 Cb 1.19 -0.83 0.00 0.00 1.24 0.00 0.00 39.78 41.38 2dj3 n ASN 74 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2dj3 n ASP 75 N -5.34 1.86 0.22 1.20 2.03 -1.26 -4.77 116.55 110.49 2dj3 n ASP 75 Ca 0.12 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.52 2dj3 n ASP 75 Cb 0.50 0.12 0.47 0.00 -0.72 0.00 0.00 41.12 41.49 2dj3 n ASP 75 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2dj3 h GLN 76 N 0.00 0.00 -4.67 -0.67 3.07 -1.95 -3.39 115.11 107.50 2dj3 h GLN 76 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 58.65 58.03 2dj3 h GLN 76 Cb 0.40 0.00 -0.20 0.00 0.08 0.00 0.00 27.48 27.76 2dj3 h GLN 76 CO 0.00 0.24 0.19 0.71 0.09 0.00 0.00 178.83 180.06 2dj3 s TYR 77 N -3.70 3.06 -0.08 0.06 1.51 -1.26 -4.80 117.35 112.14 2dj3 s TYR 77 Ca 0.00 -1.07 0.00 0.00 -1.01 0.00 0.00 57.07 55.00 2dj3 s TYR 77 Cb 0.11 -4.03 -0.03 0.00 -0.11 0.00 0.00 41.96 37.89 2dj3 s TYR 77 CO 0.64 -1.30 -0.07 0.15 -1.11 0.00 0.00 175.55 173.86 2dj3 s LYS 78 N 2.53 2.83 -0.45 -0.62 1.02 -1.26 -4.92 119.74 118.87 2dj3 s LYS 78 Ca 0.14 -0.55 -0.08 0.00 0.02 0.00 0.00 55.97 55.50 2dj3 s LYS 78 Cb -0.21 -2.62 0.10 0.00 -0.52 0.00 0.00 37.83 34.59 2dj3 s LYS 78 CO 0.04 0.63 0.30 0.08 -0.92 0.00 0.00 175.35 175.47 2dj3 s VAL 79 N -0.71 4.11 -0.57 3.17 1.01 -1.26 -4.90 120.40 121.24 2dj3 s VAL 79 Ca 0.11 -1.68 0.16 0.00 0.00 0.00 0.00 61.98 60.57 2dj3 s VAL 79 Cb -0.11 -3.65 0.69 0.00 0.00 0.00 0.00 36.38 33.31 2dj3 s VAL 79 CO 0.02 -0.67 1.60 -0.62 0.00 0.00 0.00 175.10 175.43 2dj3 n GLU 80 N 4.88 3.92 0.00 2.72 -0.58 -1.26 -4.96 120.64 125.36 2dj3 n GLU 80 Ca -0.08 -2.93 0.00 0.00 -0.42 0.00 0.00 57.16 53.73 2dj3 n GLU 80 Cb 0.42 -1.98 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 2dj3 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dj3 n GLY 81 N 0.52 3.71 3.91 0.62 0.00 -1.26 -5.16 105.19 107.53 2dj3 n GLY 81 Ca 0.25 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2dj3 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dj3 s PHE 82 N -0.31 3.50 1.19 1.61 0.40 -1.26 -4.13 117.98 118.99 2dj3 s PHE 82 Ca 0.00 0.36 -0.19 0.00 -0.60 0.00 0.00 56.93 56.50 2dj3 s PHE 82 Cb 0.00 -1.85 0.28 0.00 0.51 0.00 0.00 43.02 41.96 2dj3 s PHE 82 CO 0.00 0.52 1.11 -1.25 0.70 0.00 0.00 175.22 176.30 2dj3 s PRO 83 N -2.64 -1.16 -0.28 0.24 0.04 -1.26 -4.91 135.00 125.02 2dj3 s PRO 83 Ca 0.37 -0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.37 2dj3 s PRO 83 Cb -0.12 -1.60 0.16 0.00 0.04 0.00 0.00 34.50 32.98 2dj3 s PRO 83 CO 0.27 -3.68 0.47 0.99 0.04 0.00 0.00 177.00 175.09 2dj3 s THR 84 N -3.01 -0.76 -0.00 1.26 2.01 -0.93 -4.99 115.64 109.21 2dj3 s THR 84 Ca 0.71 -0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.50 2dj3 s THR 84 Cb -0.10 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 2dj3 s THR 84 CO 0.56 -0.13 0.31 -0.63 -0.69 0.00 0.00 174.62 174.05 2dj3 s ILE 85 N 2.66 5.22 -0.03 1.82 1.01 -1.26 0.61 121.20 131.23 2dj3 s ILE 85 Ca 0.13 0.43 -0.01 0.00 0.00 0.00 0.00 60.65 61.20 2dj3 s ILE 85 Cb -0.14 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.77 2dj3 s ILE 85 CO -0.23 0.46 0.05 -0.31 0.00 0.00 0.00 174.94 174.91 2dj3 s TYR 86 N -1.20 -0.01 -0.35 3.97 2.02 0.24 -2.82 117.35 119.20 2dj3 s TYR 86 Ca 0.25 0.20 -0.09 0.00 -0.37 0.00 0.00 57.07 57.05 2dj3 s TYR 86 Cb -0.14 -0.21 0.02 0.00 -0.40 0.00 0.00 41.96 41.24 2dj3 s TYR 86 CO 0.13 -0.10 0.16 0.12 -1.57 0.00 0.00 175.55 174.29 2dj3 s PHE 87 N 1.08 3.23 -0.61 2.71 2.19 -0.86 -0.09 117.98 125.64 2dj3 s PHE 87 Ca -0.09 -1.02 -0.13 0.00 0.33 0.00 0.00 56.93 56.02 2dj3 s PHE 87 Cb -0.13 -2.37 0.15 0.00 -1.31 0.00 0.00 43.02 39.37 2dj3 s PHE 87 CO -0.04 -0.64 0.53 0.00 1.83 0.00 0.00 175.22 176.91 2dj3 s ALA 88 N 1.52 3.70 -0.04 11.12 0.00 -1.07 -2.94 121.76 134.05 2dj3 s ALA 88 Ca 0.02 -2.80 -0.30 0.00 0.00 0.00 0.00 51.96 48.88 2dj3 s ALA 88 Cb -0.19 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 2dj3 s ALA 88 CO 0.05 -2.07 1.48 -1.25 0.00 0.00 0.00 175.76 173.97 2dj3 s PRO 89 N 1.05 4.23 -0.49 0.00 0.04 -1.26 -2.28 135.00 136.29 2dj3 s PRO 89 Ca 0.08 2.01 -0.36 0.00 0.04 0.00 0.00 61.00 62.78 2dj3 s PRO 89 Cb -0.23 -3.75 -0.14 0.00 0.04 0.00 0.00 34.50 30.42 2dj3 s PRO 89 CO -0.01 -0.70 2.28 0.45 0.04 0.00 0.00 177.00 179.05 2dj3 n SER 90 N 6.21 1.57 0.00 6.66 2.88 -1.26 -0.38 113.62 129.30 2dj3 n SER 90 Ca 0.15 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 2dj3 n SER 90 Cb 0.43 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 2dj3 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj3 n GLY 91 N 6.70 3.20 1.41 0.46 0.00 -1.26 -4.85 105.19 110.86 2dj3 n GLY 91 Ca 0.48 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 2dj3 n GLY 91 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dj3 n ASP 92 N 0.34 2.96 -0.02 1.61 8.00 0.49 -4.68 116.55 125.25 2dj3 n ASP 92 Ca 0.00 -3.77 0.04 0.00 0.71 0.00 0.00 54.79 51.76 2dj3 n ASP 92 Cb 0.00 -0.67 0.41 0.00 -0.02 0.00 0.00 41.12 40.84 2dj3 n ASP 92 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2dj3 h LYS 93 N 1.10 0.58 -1.83 -1.24 1.57 -1.60 -2.29 116.57 112.86 2dj3 h LYS 93 Ca 0.31 -0.03 0.53 0.00 -1.87 0.00 0.00 60.65 59.59 2dj3 h LYS 93 Cb 1.79 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.89 2dj3 h LYS 93 CO 0.56 0.38 1.31 -0.22 -0.57 0.00 0.00 179.45 180.91 2dj3 h LYS 94 N 0.60 0.00 -4.08 3.15 1.63 -1.88 -3.11 116.57 112.87 2dj3 h LYS 94 Ca 0.17 -0.00 -0.71 0.00 -0.85 0.00 0.00 60.65 59.25 2dj3 h LYS 94 Cb -0.05 -0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 31.26 2dj3 h LYS 94 CO -0.04 0.00 -0.38 -0.80 -3.45 0.00 0.00 179.45 174.79 2dj3 s ASN 95 N -4.10 5.55 0.16 4.20 0.01 -0.86 -4.87 114.94 115.02 2dj3 s ASN 95 Ca -0.05 -2.31 -0.30 0.00 -0.71 0.00 0.00 52.86 49.48 2dj3 s ASN 95 Cb 0.27 -1.94 -0.08 0.00 0.41 0.00 0.00 41.25 39.91 2dj3 s ASN 95 CO 0.88 -0.54 1.33 -2.16 -1.51 0.00 0.00 177.10 175.09 2dj3 s PRO 96 N 0.75 4.37 -0.63 -0.60 0.04 -1.18 -4.82 135.00 132.93 2dj3 s PRO 96 Ca 0.11 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.12 2dj3 s PRO 96 Cb -0.22 -3.22 0.16 0.00 0.04 0.00 0.00 34.50 31.26 2dj3 s PRO 96 CO -0.03 -0.31 0.49 0.42 0.04 0.00 0.00 177.00 177.61 2dj3 s ILE 97 N 0.49 4.31 0.28 0.56 1.01 -1.15 -4.93 121.20 121.77 2dj3 s ILE 97 Ca 0.59 -2.50 -0.29 0.00 0.00 0.00 0.00 60.65 58.45 2dj3 s ILE 97 Cb -0.36 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 2dj3 s ILE 97 CO 0.35 -0.88 1.06 -0.75 0.00 0.00 0.00 174.94 174.71 2dj3 s LYS 98 N 0.41 4.66 -0.64 2.79 2.20 -1.26 -2.02 119.74 125.88 2dj3 s LYS 98 Ca 0.14 1.71 -0.26 0.00 -0.36 0.00 0.00 55.97 57.20 2dj3 s LYS 98 Cb -0.19 -3.17 0.04 0.00 -1.51 0.00 0.00 37.83 33.00 2dj3 s LYS 98 CO -0.04 0.26 1.11 0.12 -0.36 0.00 0.00 175.35 176.44 2dj3 s PHE 99 N -1.20 2.57 0.00 4.03 5.36 -1.13 -4.87 117.98 122.75 2dj3 s PHE 99 Ca 0.44 -0.03 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 2dj3 s PHE 99 Cb -0.30 -4.39 0.00 0.00 -0.34 0.00 0.00 43.02 37.99 2dj3 s PHE 99 CO 0.38 -1.68 0.00 0.39 -1.46 0.00 0.00 175.22 172.85 2dj3 n GLU 100 N 8.31 0.00 0.00 10.12 1.02 -1.26 -4.79 120.64 134.04 2dj3 n GLU 100 Ca 0.03 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2dj3 n GLU 100 Cb 0.48 -0.55 0.00 0.00 -0.02 0.00 0.00 31.44 31.35 2dj3 n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dj3 n GLY 101 N 1.63 2.55 1.65 0.62 0.00 -1.26 -4.61 105.19 105.79 2dj3 n GLY 101 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2dj3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dj3 n GLY 102 N 0.00 -0.02 3.71 -0.02 0.00 -1.26 -5.10 105.19 102.50 2dj3 n GLY 102 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2dj3 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dj3 s ASN 103 N -4.55 5.39 -0.51 1.61 -0.87 -1.26 -5.08 114.94 109.66 2dj3 s ASN 103 Ca 0.00 0.17 -0.01 0.00 -1.57 0.00 0.00 52.86 51.45 2dj3 s ASN 103 Cb 0.00 -1.54 0.13 0.00 -0.02 0.00 0.00 41.25 39.82 2dj3 s ASN 103 CO 0.00 0.37 0.30 -0.60 -2.57 0.00 0.00 177.10 174.60 2dj3 s ARG 104 N -1.00 2.19 0.29 -0.60 3.52 -1.26 -4.70 118.95 117.40 2dj3 s ARG 104 Ca 0.14 -2.26 -0.01 0.00 -0.13 0.00 0.00 55.73 53.48 2dj3 s ARG 104 Cb -0.11 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 2dj3 s ARG 104 CO 0.04 -1.11 0.39 -0.40 -0.81 0.00 0.00 175.30 173.41 2dj3 n ASP 105 N 3.86 -1.08 0.27 -2.12 5.75 -1.26 -4.99 116.55 116.97 2dj3 n ASP 105 Ca 0.04 -2.58 0.17 0.00 -0.01 0.00 0.00 54.79 52.40 2dj3 n ASP 105 Cb 0.38 2.05 0.66 0.00 -1.03 0.00 0.00 41.12 43.19 2dj3 n ASP 105 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2dj3 h LEU 106 N 0.00 0.00 0.17 -2.12 5.85 -1.97 0.18 115.31 117.43 2dj3 h LEU 106 Ca -0.22 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.25 2dj3 h LEU 106 Cb 0.98 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.04 2dj3 h LEU 106 CO 0.30 0.02 -1.14 -0.33 -0.34 0.00 0.00 178.44 176.95 2dj3 h GLU 107 N 0.00 0.37 0.05 1.25 3.07 -1.97 -3.22 114.58 114.13 2dj3 h GLU 107 Ca -0.00 -0.63 -0.07 0.00 -0.50 0.00 0.00 59.36 58.16 2dj3 h GLU 107 Cb 0.53 0.23 0.01 0.00 -0.84 0.00 0.00 28.75 28.69 2dj3 h GLU 107 CO 0.00 1.30 -0.31 0.45 -1.40 0.00 0.00 179.01 179.05 2dj3 h HIS 108 N -0.19 0.21 -0.87 4.33 3.86 -1.83 -3.17 115.15 117.49 2dj3 h HIS 108 Ca -0.21 -0.15 0.20 0.00 -1.16 0.00 0.00 60.37 59.05 2dj3 h HIS 108 Cb 1.84 -0.01 -0.12 0.00 1.06 0.00 0.00 27.41 30.18 2dj3 h HIS 108 CO 0.16 1.11 0.37 -0.07 0.86 0.00 0.00 177.93 180.36 2dj3 h LEU 109 N -0.74 0.30 -0.99 2.43 3.38 -0.81 0.36 115.31 119.24 2dj3 h LEU 109 Ca -0.05 0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2dj3 h LEU 109 Cb 1.24 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2dj3 h LEU 109 CO 0.06 0.02 -0.23 0.77 0.09 0.00 0.00 178.44 179.15 2dj3 h SER 110 N 0.41 0.46 0.72 -0.43 4.64 -1.66 -1.89 113.55 115.80 2dj3 h SER 110 Ca 0.53 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2dj3 h SER 110 Cb 0.96 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2dj3 h SER 110 CO -0.51 0.70 0.00 0.29 -0.87 0.00 0.00 176.83 176.44 2dj3 n LYS 111 N -4.14 0.03 -0.07 4.77 5.02 0.11 -2.60 118.16 121.29 2dj3 n LYS 111 Ca -0.00 0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 56.34 2dj3 n LYS 111 Cb 0.39 -1.54 -0.14 0.00 -0.02 0.00 0.00 35.03 33.71 2dj3 n LYS 111 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2dj3 n PHE 112 N -1.59 0.50 0.17 2.13 7.35 -0.55 -4.29 117.46 121.18 2dj3 n PHE 112 Ca 0.05 0.15 -0.08 0.00 -0.76 0.00 0.00 57.45 56.81 2dj3 n PHE 112 Cb 0.24 -1.08 -0.04 0.00 0.35 0.00 0.00 39.48 38.95 2dj3 n PHE 112 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2dj3 h ILE 113 N 0.01 0.00 -1.04 -2.13 2.04 -1.29 -3.20 117.51 111.90 2dj3 h ILE 113 Ca -0.46 -0.53 0.40 0.00 1.00 0.00 0.00 64.86 65.27 2dj3 h ILE 113 Cb 2.08 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 38.01 2dj3 h ILE 113 CO 0.03 0.00 0.62 -0.90 0.00 0.00 0.00 178.15 177.90 2dj3 n ASP 114 N -4.85 0.25 0.41 1.72 5.68 -1.07 0.15 116.55 118.84 2dj3 n ASP 114 Ca -0.06 1.36 -0.18 0.00 -0.50 0.00 0.00 54.79 55.41 2dj3 n ASP 114 Cb 0.20 -0.66 -0.09 0.00 -1.14 0.00 0.00 41.12 39.43 2dj3 n ASP 114 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2dj3 h GLU 115 N 0.00 -0.99 -0.06 0.11 4.39 -1.74 -2.78 114.58 113.51 2dj3 h GLU 115 Ca 0.76 0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.53 2dj3 h GLU 115 Cb 2.23 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 31.11 2dj3 h GLU 115 CO -0.56 -0.64 0.00 0.72 -1.16 0.00 0.00 179.01 177.37 2dj3 n HIS 116 N -5.50 0.08 -1.37 4.33 8.25 0.15 -4.75 115.22 116.40 2dj3 n HIS 116 Ca -0.14 -0.04 -0.17 0.00 -0.26 0.00 0.00 57.72 57.11 2dj3 n HIS 116 Cb 0.42 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.65 2dj3 n HIS 116 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dj3 n ALA 117 N -0.36 -1.17 -0.77 -1.41 0.00 0.41 -4.88 120.51 112.33 2dj3 n ALA 117 Ca 0.15 -1.01 -0.08 0.00 0.00 0.00 0.00 53.44 52.51 2dj3 n ALA 117 Cb 0.17 -0.06 -0.11 0.00 0.00 0.00 0.00 19.45 19.46 2dj3 n ALA 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dj3 n THR 118 N -3.27 2.47 -3.85 0.00 -1.04 -1.26 -4.72 114.28 102.60 2dj3 n THR 118 Ca 0.10 -1.09 -0.26 0.00 -2.04 0.00 0.00 64.05 60.76 2dj3 n THR 118 Cb 0.34 -1.80 -0.07 0.00 -1.82 0.00 0.00 70.33 66.98 2dj3 n THR 118 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2dj3 n LYS 119 N 2.23 -0.91 -3.21 -2.82 4.76 -1.26 -4.81 118.16 112.14 2dj3 n LYS 119 Ca 0.27 0.08 -0.40 0.00 -2.87 0.00 0.00 58.31 55.39 2dj3 n LYS 119 Cb 0.72 -2.94 -0.02 0.00 -1.84 0.00 0.00 35.03 30.96 2dj3 n LYS 119 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2dj3 n ARG 120 N -3.55 3.79 -3.95 1.97 0.63 -1.26 -4.97 116.66 109.33 2dj3 n ARG 120 Ca -0.15 -4.55 0.01 0.00 -0.92 0.00 0.00 57.85 52.24 2dj3 n ARG 120 Cb 0.47 -2.47 0.01 0.00 0.45 0.00 0.00 32.46 30.93 2dj3 n ARG 120 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2dj3 s SER 121 N -1.18 0.00 -0.06 6.15 1.04 -1.26 -5.08 113.70 113.31 2dj3 s SER 121 Ca 0.32 -0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.35 2dj3 s SER 121 Cb 0.02 0.22 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 2dj3 s SER 121 CO 0.03 -0.43 0.27 -0.60 0.98 0.00 0.00 173.24 173.49 2dj3 s ARG 122 N -2.08 3.68 0.07 4.02 6.06 -1.26 -5.02 118.95 124.42 2dj3 s ARG 122 Ca 0.27 0.14 -0.35 0.00 -2.50 0.00 0.00 55.73 53.29 2dj3 s ARG 122 Cb -0.01 -3.21 -0.18 0.00 0.06 0.00 0.00 34.95 31.62 2dj3 s ARG 122 CO 0.00 0.74 0.85 2.41 -2.50 0.00 0.00 175.30 176.80 2dj3 n THR 123 N 1.90 0.69 -2.44 4.11 -1.04 -1.26 -4.94 114.28 111.29 2dj3 n THR 123 Ca -0.17 -0.17 -0.23 0.00 -2.04 0.00 0.00 64.05 61.43 2dj3 n THR 123 Cb 0.54 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.11 2dj3 n THR 123 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2dj3 s LYS 124 N -0.34 2.20 1.03 -2.82 1.02 -1.26 -5.07 119.74 114.50 2dj3 s LYS 124 Ca 0.79 -0.64 -0.11 0.00 0.02 0.00 0.00 55.97 56.03 2dj3 s LYS 124 Cb -1.11 -2.32 0.21 0.00 -0.52 0.00 0.00 37.83 34.08 2dj3 s LYS 124 CO 0.55 -1.09 1.09 -2.00 -0.92 0.00 0.00 175.35 172.98 2dj3 s GLU 125 N -5.04 0.12 -0.33 1.68 2.12 -1.26 -4.98 118.70 111.01 2dj3 s GLU 125 Ca 0.60 1.26 0.11 0.00 0.36 0.00 0.00 54.97 57.30 2dj3 s GLU 125 Cb -0.09 -1.64 0.46 0.00 0.26 0.00 0.00 34.13 33.11 2dj3 s GLU 125 CO 0.42 -3.15 1.12 0.39 -0.54 0.00 0.00 175.26 173.51 2dj3 n GLU 126 N -4.56 2.90 -4.36 4.30 1.02 -1.26 -5.03 120.64 113.65 2dj3 n GLU 126 Ca 0.08 -4.03 -0.22 0.00 -0.02 0.00 0.00 57.16 52.98 2dj3 n GLU 126 Cb 0.53 -2.02 -0.16 0.00 -0.02 0.00 0.00 31.44 29.77 2dj3 n GLU 126 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dj3 s LEU 127 N -3.56 1.51 -0.02 -4.62 1.43 -1.26 -5.14 118.68 107.02 2dj3 s LEU 127 Ca 0.43 -0.20 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2dj3 s LEU 127 Cb 0.40 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.99 2dj3 s LEU 127 CO -0.04 -0.01 -0.26 -0.94 0.23 0.00 0.00 176.35 175.34 2dj3 s SER 128 N 0.73 3.00 0.00 2.29 1.04 -1.26 -5.11 113.70 114.39 2dj3 s SER 128 Ca -0.12 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2dj3 s SER 128 Cb -0.14 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.64 2dj3 s SER 128 CO 0.02 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.16 2dj3 n GLY 129 N 2.42 1.89 3.76 7.32 0.00 -1.26 -4.99 105.19 114.32 2dj3 n GLY 129 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 2dj3 n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dj3 s PRO 130 N 0.04 2.00 -0.28 1.61 0.04 -1.26 -5.07 135.00 132.08 2dj3 s PRO 130 Ca 0.00 1.08 -0.26 0.00 0.04 0.00 0.00 61.00 61.87 2dj3 s PRO 130 Cb 0.00 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 32.81 2dj3 s PRO 130 CO 0.00 -1.80 1.17 0.45 0.04 0.00 0.00 177.00 176.86 2dj3 s SER 131 N -3.40 -0.30 0.23 6.66 0.15 -1.26 -5.03 113.70 110.74 2dj3 s SER 131 Ca 0.62 0.55 -0.06 0.00 0.70 0.00 0.00 55.95 57.76 2dj3 s SER 131 Cb -0.17 0.55 0.39 0.00 -1.71 0.00 0.00 66.02 65.08 2dj3 s SER 131 CO 0.56 -0.12 1.25 -1.54 1.20 0.00 0.00 173.24 174.59 2dj3 n SER 132 N 1.81 -0.27 0.00 5.45 3.41 -1.26 -5.31 113.62 117.45 2dj3 n SER 132 Ca -0.11 1.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 2dj3 n SER 132 Cb 0.56 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2dj3 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49