#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj3 n SER 2 N 0.00 -1.45 -3.64 1.61 2.88 -1.26 -5.04 113.62 106.72 2dj3 n SER 2 Ca 0.00 0.19 -0.10 0.00 -1.33 0.00 0.00 58.87 57.64 2dj3 n SER 2 Cb 0.00 -1.24 -0.07 0.00 -0.75 0.00 0.00 64.21 62.15 2dj3 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dj3 s SER 3 N -2.21 -0.57 0.24 -3.46 0.15 -1.26 -5.07 113.70 101.52 2dj3 s SER 3 Ca 0.61 1.06 0.00 0.00 0.70 0.00 0.00 55.95 58.32 2dj3 s SER 3 Cb -0.21 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.20 2dj3 s SER 3 CO 0.64 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.51 2dj3 n GLY 4 N 2.60 -1.62 0.34 9.45 0.00 -1.26 -4.97 105.19 109.73 2dj3 n GLY 4 Ca -0.14 0.50 0.19 0.00 0.00 0.00 0.00 46.02 46.57 2dj3 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dj3 h SER 5 N 0.00 -0.25 -3.03 1.61 4.64 -2.06 -3.38 113.55 111.08 2dj3 h SER 5 Ca 0.00 0.27 -0.66 0.00 -0.47 0.00 0.00 61.79 60.93 2dj3 h SER 5 Cb 0.00 0.42 -0.09 0.00 -0.31 0.00 0.00 62.40 62.42 2dj3 h SER 5 CO 0.00 -0.36 -0.56 -0.94 -0.87 0.00 0.00 176.83 174.10 2dj3 s SER 6 N -4.90 5.82 0.40 4.97 1.04 -1.26 -5.06 113.70 114.70 2dj3 s SER 6 Ca -0.12 0.21 -0.22 0.00 0.48 0.00 0.00 55.95 56.30 2dj3 s SER 6 Cb 0.30 -1.72 -0.14 0.00 0.10 0.00 0.00 66.02 64.56 2dj3 s SER 6 CO 0.78 0.29 0.34 0.61 0.98 0.00 0.00 173.24 176.24 2dj3 n GLY 7 N 1.30 -2.06 0.08 7.32 0.00 -1.26 -4.91 105.19 105.66 2dj3 n GLY 7 Ca -0.14 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 0.61 -0.06 -6.28 1.61 0.13 -1.88 -3.44 132.00 122.68 2dj3 h PRO 8 Ca -0.38 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.17 2dj3 h PRO 8 Cb 1.42 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.58 2dj3 h PRO 8 CO 0.50 0.40 1.18 0.28 -0.23 0.00 0.00 178.00 180.13 2dj3 n VAL 9 N -4.89 0.63 -2.63 1.56 0.31 -1.26 -4.76 118.33 107.29 2dj3 n VAL 9 Ca -0.08 -0.14 -0.39 0.00 -0.01 0.00 0.00 64.34 63.71 2dj3 n VAL 9 Cb 0.25 -2.06 -0.05 0.00 -0.91 0.00 0.00 33.84 31.07 2dj3 n VAL 9 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2dj3 s LYS 10 N 4.39 4.68 -0.07 5.55 2.20 -1.09 -4.82 119.74 130.56 2dj3 s LYS 10 Ca 0.92 1.59 -0.11 0.00 -0.36 0.00 0.00 55.97 58.02 2dj3 s LYS 10 Cb -0.59 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 2dj3 s LYS 10 CO 0.48 0.31 0.26 0.14 -0.36 0.00 0.00 175.35 176.18 2dj3 s VAL 11 N -1.27 5.29 -0.02 4.02 -7.23 -1.26 0.26 120.40 120.20 2dj3 s VAL 11 Ca 0.45 0.49 0.04 0.00 -1.81 0.00 0.00 61.98 61.15 2dj3 s VAL 11 Cb -0.27 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.12 2dj3 s VAL 11 CO 0.34 0.58 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.90 2dj3 s VAL 12 N -0.91 0.97 0.40 1.32 1.01 0.13 -4.88 120.40 118.43 2dj3 s VAL 12 Ca 0.19 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2dj3 s VAL 12 Cb -0.14 -0.82 0.04 0.00 0.00 0.00 0.00 36.38 35.45 2dj3 s VAL 12 CO 0.08 0.28 0.31 1.33 0.00 0.00 0.00 175.10 177.10 2dj3 n VAL 13 N 2.94 0.00 0.22 2.92 0.24 -1.26 -4.24 118.33 119.14 2dj3 n VAL 13 Ca -0.15 -1.56 0.08 0.00 -2.04 0.00 0.00 64.34 60.67 2dj3 n VAL 13 Cb 0.55 -0.19 0.48 0.00 -1.47 0.00 0.00 33.84 33.21 2dj3 n VAL 13 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2dj3 h GLY 14 N 0.45 0.00 2.00 7.63 0.00 -1.91 0.25 103.07 111.49 2dj3 h GLY 14 Ca -0.25 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 2dj3 h GLY 14 CO 0.39 0.00 -0.46 0.07 0.00 0.00 0.00 176.54 176.53 2dj3 h LYS 15 N 0.00 0.00 0.00 4.80 2.10 -1.96 -3.27 116.57 118.25 2dj3 h LYS 15 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2dj3 h LYS 15 Cb 0.67 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.99 2dj3 h LYS 15 CO 0.03 0.46 -0.22 0.25 -2.00 0.00 0.00 179.45 177.98 2dj3 n THR 16 N -3.30 1.85 0.03 0.07 -2.24 -1.02 -4.72 114.28 104.94 2dj3 n THR 16 Ca 0.01 -2.45 -0.20 0.00 -2.27 0.00 0.00 64.05 59.15 2dj3 n THR 16 Cb 0.67 -0.17 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.36 0.46 0.00 4.78 3.04 -0.56 -2.10 116.94 122.92 2dj3 h PHE 17 Ca -0.01 -0.34 0.00 0.00 3.98 0.00 0.00 57.97 61.60 2dj3 h PHE 17 Cb 1.04 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.54 2dj3 h PHE 17 CO 0.26 1.30 0.00 -0.25 -2.02 0.00 0.00 178.31 177.60 2dj3 n ASP 18 N -4.16 0.00 -0.11 0.41 9.92 -1.26 -1.51 116.55 119.83 2dj3 n ASP 18 Ca -0.15 0.17 -0.20 0.00 -0.53 0.00 0.00 54.79 54.09 2dj3 n ASP 18 Cb 0.79 -0.38 -0.12 0.00 -0.64 0.00 0.00 41.12 40.77 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 -1.38 1.33 -0.00 2.24 0.00 -1.24 -4.22 120.51 117.25 2dj3 n ALA 19 Ca 0.09 -1.02 -0.00 0.00 0.00 0.00 0.00 53.44 52.51 2dj3 n ALA 19 Cb 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -3.39 0.00 -0.24 0.00 5.41 -0.79 -3.71 119.36 116.64 2dj3 n ILE 20 Ca -0.44 0.50 0.28 0.00 1.00 0.00 0.00 62.75 64.08 2dj3 n ILE 20 Cb 0.99 -1.50 0.66 0.00 -0.71 0.00 0.00 39.64 39.08 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 -0.00 0.54 -0.89 1.39 2.07 -1.43 0.23 116.25 118.16 2dj3 h VAL 21 Ca 0.00 -0.04 -0.62 0.00 0.82 0.00 0.00 66.70 66.86 2dj3 h VAL 21 Cb 0.00 0.40 -0.34 0.00 -1.52 0.00 0.00 31.29 29.83 2dj3 h VAL 21 CO 0.00 0.02 0.20 0.23 0.02 0.00 0.00 177.57 178.04 2dj3 n MET 22 N -4.34 3.03 -2.96 1.57 2.81 -0.64 -4.61 117.12 111.98 2dj3 n MET 22 Ca 0.21 -3.63 -0.43 0.00 -1.81 0.00 0.00 57.70 52.04 2dj3 n MET 22 Cb 0.97 -2.28 -0.05 0.00 -0.71 0.00 0.00 33.22 31.15 2dj3 n MET 22 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2dj3 s ASP 23 N -2.53 6.37 0.00 7.83 2.15 0.82 -4.68 116.67 126.63 2dj3 s ASP 23 Ca 0.59 -0.28 0.09 0.00 0.43 0.00 0.00 52.55 53.38 2dj3 s ASP 23 Cb 0.47 -2.38 0.56 0.00 -0.30 0.00 0.00 42.92 41.26 2dj3 s ASP 23 CO 0.01 -0.99 1.00 -0.81 -0.17 0.00 0.00 175.17 174.21 2dj3 n PRO 24 N 6.83 0.49 0.09 4.34 -0.04 -1.26 -2.29 135.00 143.16 2dj3 n PRO 24 Ca 0.01 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2dj3 n PRO 24 Cb 0.48 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.63 2dj3 n PRO 24 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2dj3 h LYS 25 N 0.00 0.00 -1.69 0.54 1.57 -1.91 -3.41 116.57 111.67 2dj3 h LYS 25 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2dj3 h LYS 25 Cb 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.09 2dj3 h LYS 25 CO 0.00 0.14 0.51 -1.59 -0.57 0.00 0.00 179.45 177.93 2dj3 s LYS 26 N -3.17 0.67 -0.08 3.15 -2.85 -0.97 -4.93 119.74 111.55 2dj3 s LYS 26 Ca -0.00 0.10 -0.30 0.00 -1.00 0.00 0.00 55.97 54.77 2dj3 s LYS 26 Cb 0.09 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 2dj3 s LYS 26 CO 0.78 -0.22 1.45 -0.51 0.10 0.00 0.00 175.35 176.95 2dj3 s ASP 27 N -1.29 6.82 -0.16 0.03 1.01 -0.73 -4.30 116.67 118.06 2dj3 s ASP 27 Ca -0.02 2.00 -0.02 0.00 0.71 0.00 0.00 52.55 55.22 2dj3 s ASP 27 Cb -0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 2dj3 s ASP 27 CO 0.01 -0.81 -0.08 -0.69 0.21 0.00 0.00 175.17 173.81 2dj3 s VAL 28 N 3.43 3.39 -0.55 -1.27 1.01 -0.94 -3.06 120.40 122.41 2dj3 s VAL 28 Ca 0.64 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 2dj3 s VAL 28 Cb -0.28 -2.47 0.09 0.00 0.00 0.00 0.00 36.38 33.71 2dj3 s VAL 28 CO 0.23 0.50 0.63 -0.22 0.00 0.00 0.00 175.10 176.24 2dj3 s LEU 29 N 0.57 5.32 -0.07 3.92 2.96 -1.16 -1.74 118.68 128.47 2dj3 s LEU 29 Ca -0.06 -1.26 -0.18 0.00 -0.22 0.00 0.00 54.13 52.41 2dj3 s LEU 29 Cb -0.15 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 2dj3 s LEU 29 CO 0.03 -0.98 0.49 -0.51 -1.32 0.00 0.00 176.35 174.06 2dj3 s ILE 30 N 2.50 5.10 -0.27 6.68 1.10 -0.27 -0.98 121.20 135.05 2dj3 s ILE 30 Ca 0.11 0.99 0.02 0.00 -0.51 0.00 0.00 60.65 61.27 2dj3 s ILE 30 Cb -0.23 -3.82 0.07 0.00 0.15 0.00 0.00 42.46 38.63 2dj3 s ILE 30 CO 0.08 0.39 -0.05 -0.70 -2.11 0.00 0.00 174.94 172.56 2dj3 s GLU 31 N 0.13 1.80 -0.49 3.50 2.56 -0.82 -0.10 118.70 125.28 2dj3 s GLU 31 Ca 0.26 -1.35 -0.28 0.00 0.00 0.00 0.00 54.97 53.61 2dj3 s GLU 31 Cb -0.16 -2.82 0.01 0.00 2.00 0.00 0.00 34.13 33.16 2dj3 s GLU 31 CO 0.12 -0.68 1.41 -0.06 -0.56 0.00 0.00 175.26 175.49 2dj3 s PHE 32 N 1.17 2.34 0.16 5.30 0.08 0.72 -1.89 117.98 125.85 2dj3 s PHE 32 Ca -0.03 0.59 0.07 0.00 0.12 0.00 0.00 56.93 57.68 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 -1.96 0.01 1.52 -0.10 0.00 0.00 175.22 174.61 2dj3 s TYR 33 N 5.77 2.89 -0.12 0.36 -0.85 -0.33 -2.56 117.35 122.51 2dj3 s TYR 33 Ca 0.57 -0.11 0.03 0.00 -0.52 0.00 0.00 57.07 57.04 2dj3 s TYR 33 Cb -0.12 -1.42 0.00 0.00 0.38 0.00 0.00 41.96 40.80 2dj3 s TYR 33 CO 0.29 0.51 -0.21 0.00 -1.52 0.00 0.00 175.55 174.61 2dj3 s ALA 34 N -1.64 2.28 -2.00 9.51 0.00 -1.26 -4.17 121.76 124.48 2dj3 s ALA 34 Ca 0.27 -1.01 0.11 0.00 0.00 0.00 0.00 51.96 51.33 2dj3 s ALA 34 Cb -0.10 -0.95 0.63 0.00 0.00 0.00 0.00 23.12 22.70 2dj3 s ALA 34 CO 0.19 0.15 1.07 -0.35 0.00 0.00 0.00 175.76 176.82 2dj3 n PRO 35 N 3.75 0.48 -0.16 0.00 -0.04 -1.26 -2.06 135.00 135.71 2dj3 n PRO 35 Ca -0.19 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.36 2dj3 n PRO 35 Cb 0.52 -1.34 0.15 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.84 0.04 -4.24 0.54 4.27 -1.26 -4.98 117.44 110.97 2dj3 n TRP 36 Ca 0.08 -1.07 -0.29 0.00 -3.89 0.00 0.00 57.50 52.32 2dj3 n TRP 36 Cb 0.04 -0.17 -0.17 0.00 -1.36 0.00 0.00 31.31 29.65 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 7.74 0.39 1.06 0.00 0.00 -1.94 -2.81 103.07 107.52 2dj3 h GLY 38 Ca -0.35 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.63 2dj3 h GLY 38 CO 0.51 0.32 0.38 0.45 0.00 0.00 0.00 176.54 178.21 2dj3 h HIS 39 N 0.04 0.00 0.11 5.60 3.86 -1.95 0.60 115.15 123.40 2dj3 h HIS 39 Ca 0.04 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.94 2dj3 h HIS 39 Cb 0.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 2dj3 h HIS 39 CO 0.06 0.00 -1.57 0.00 0.86 0.00 0.00 177.93 177.28 2dj3 h LYS 41 N 0.06 1.11 0.00 0.00 2.10 0.17 -0.80 116.57 119.21 2dj3 h LYS 41 Ca -0.26 -0.07 -0.05 0.00 -2.00 0.00 0.00 60.65 58.28 2dj3 h LYS 41 Cb 2.01 -0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 33.08 2dj3 h LYS 41 CO 0.15 0.73 -0.23 -0.56 -2.00 0.00 0.00 179.45 177.54 2dj3 h GLN 42 N 1.14 0.00 0.00 0.07 3.07 -1.66 -2.59 115.11 115.15 2dj3 h GLN 42 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.04 2dj3 h GLN 42 Cb -0.13 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.43 2dj3 h GLN 42 CO -0.07 0.23 -0.55 1.25 0.09 0.00 0.00 178.83 179.78 2dj3 h LEU 43 N 0.00 0.00 -0.86 0.06 5.85 -1.28 -3.38 115.31 115.71 2dj3 h LEU 43 Ca -0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 2dj3 h LEU 43 Cb 0.66 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.58 2dj3 h LEU 43 CO 0.03 0.05 -0.43 -0.62 -0.34 0.00 0.00 178.44 177.13 2dj3 n GLU 44 N -2.90 -0.30 -0.10 1.25 1.02 -0.48 0.04 120.64 119.18 2dj3 n GLU 44 Ca 0.01 1.31 -0.12 0.00 -0.02 0.00 0.00 57.16 58.34 2dj3 n GLU 44 Cb 0.56 -1.93 -0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2dj3 n GLU 44 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2dj3 h PRO 45 N 0.00 0.88 -0.97 3.49 0.13 -1.77 -1.48 132.00 132.28 2dj3 h PRO 45 Ca 0.21 -0.47 0.06 0.00 -0.87 0.00 0.00 66.00 64.94 2dj3 h PRO 45 Cb 0.43 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.51 2dj3 h PRO 45 CO -0.83 1.11 0.63 0.82 -0.23 0.00 0.00 178.00 179.51 2dj3 h ILE 46 N 0.72 1.10 0.22 -3.56 2.04 -0.68 -2.53 117.51 114.81 2dj3 h ILE 46 Ca 0.06 -0.40 -0.32 0.00 1.00 0.00 0.00 64.86 65.20 2dj3 h ILE 46 Cb 0.98 -0.15 0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2dj3 h ILE 46 CO 0.09 0.21 -1.40 0.22 0.00 0.00 0.00 178.15 177.28 2dj3 h TYR 47 N 1.15 0.99 -0.43 1.37 3.20 -0.34 -3.10 116.97 119.80 2dj3 h TYR 47 Ca 0.41 -0.69 0.06 0.00 3.14 0.00 0.00 58.73 61.65 2dj3 h TYR 47 Cb 0.14 -0.05 -0.09 0.00 1.54 0.00 0.00 36.73 38.27 2dj3 h TYR 47 CO -0.00 1.54 -0.50 1.15 -1.64 0.00 0.00 178.16 178.70 2dj3 h THR 48 N 0.16 0.05 -0.46 1.81 2.02 -0.86 -1.13 112.91 114.51 2dj3 h THR 48 Ca -0.24 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2dj3 h THR 48 Cb 2.09 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 2dj3 h THR 48 CO 0.26 0.00 0.22 0.28 0.37 0.00 0.00 175.52 176.65 2dj3 h SER 49 N -0.35 0.60 -0.88 4.18 0.02 -1.63 -2.11 113.55 113.39 2dj3 h SER 49 Ca 0.11 -0.13 0.25 0.00 -0.84 0.00 0.00 61.79 61.18 2dj3 h SER 49 Cb 0.59 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 2dj3 h SER 49 CO -0.60 0.56 0.72 0.25 -1.14 0.00 0.00 176.83 176.62 2dj3 h LEU 50 N 0.60 0.00 0.00 5.07 5.85 -1.18 0.11 115.31 125.76 2dj3 h LEU 50 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2dj3 h LEU 50 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2dj3 h LEU 50 CO -0.02 0.00 -0.19 1.23 -0.34 0.00 0.00 178.44 179.12 2dj3 h GLY 51 N 0.00 0.00 0.72 3.75 0.00 -0.59 -3.01 103.07 103.94 2dj3 h GLY 51 Ca 0.42 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.87 2dj3 h GLY 51 CO -0.00 0.00 0.52 0.07 0.00 0.00 0.00 176.54 177.12 2dj3 h LYS 52 N -0.77 0.00 0.24 4.80 2.10 -1.09 1.85 116.57 123.70 2dj3 h LYS 52 Ca 0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 2dj3 h LYS 52 Cb 0.19 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.55 2dj3 h LYS 52 CO 0.00 0.00 -1.47 1.57 -2.00 0.00 0.00 179.45 177.55 2dj3 h LYS 53 N 0.00 0.51 -0.10 0.07 2.10 -0.93 -3.30 116.57 114.92 2dj3 h LYS 53 Ca 0.20 -0.87 0.00 0.00 -2.00 0.00 0.00 60.65 57.98 2dj3 h LYS 53 Cb 1.24 0.32 0.00 0.00 -0.90 0.00 0.00 32.23 32.89 2dj3 h LYS 53 CO -0.00 1.42 0.00 0.66 -2.00 0.00 0.00 179.45 179.52 2dj3 n TYR 54 N -3.69 0.10 -0.31 0.07 4.01 0.76 -4.30 117.16 113.80 2dj3 n TYR 54 Ca -0.16 -0.05 -0.02 0.00 -0.16 0.00 0.00 57.90 57.51 2dj3 n TYR 54 Cb 1.10 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 40.28 2dj3 n TYR 54 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2dj3 h LYS 55 N 4.03 1.20 -1.11 -0.72 1.57 0.26 -2.15 116.57 119.65 2dj3 h LYS 55 Ca 0.00 -0.09 -0.42 0.00 -1.87 0.00 0.00 60.65 58.27 2dj3 h LYS 55 Cb 0.86 -0.26 -0.22 0.00 0.08 0.00 0.00 32.23 32.69 2dj3 h LYS 55 CO 0.00 0.81 0.54 0.41 -0.57 0.00 0.00 179.45 180.64 2dj3 n GLY 56 N -1.34 4.24 4.01 3.86 0.00 -1.26 -4.90 105.19 109.80 2dj3 n GLY 56 Ca 0.10 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 2dj3 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dj3 s GLN 57 N -2.52 2.04 -0.20 1.61 -0.44 -0.81 -5.05 119.66 114.29 2dj3 s GLN 57 Ca 0.43 -1.26 -0.29 0.00 -2.50 0.00 0.00 55.36 51.74 2dj3 s GLN 57 Cb 0.35 -2.48 0.00 0.00 -1.64 0.00 0.00 33.01 29.25 2dj3 s GLN 57 CO 0.04 -1.11 1.08 0.21 0.50 0.00 0.00 175.29 176.01 2dj3 s LYS 58 N -4.90 4.28 -1.06 1.67 2.47 -1.26 -4.06 119.74 116.87 2dj3 s LYS 58 Ca 0.63 1.42 -0.13 0.00 -1.56 0.00 0.00 55.97 56.33 2dj3 s LYS 58 Cb -0.06 -3.64 0.02 0.00 -1.46 0.00 0.00 37.83 32.68 2dj3 s LYS 58 CO 0.41 -0.59 0.25 -0.25 0.16 0.00 0.00 175.35 175.33 2dj3 n ASP 59 N 6.15 -1.16 -3.69 1.43 8.00 -1.26 -4.75 116.55 121.28 2dj3 n ASP 59 Ca 0.12 -0.99 -0.16 0.00 0.71 0.00 0.00 54.79 54.47 2dj3 n ASP 59 Cb 0.46 -1.21 -0.15 0.00 -0.02 0.00 0.00 41.12 40.20 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 -6.64 0.08 -0.22 0.64 2.96 -1.26 -1.77 118.68 112.48 2dj3 s LEU 60 Ca 0.19 0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 54.42 2dj3 s LEU 60 Cb -0.10 0.35 0.07 0.00 0.50 0.00 0.00 46.19 47.01 2dj3 s LEU 60 CO 0.76 -0.22 0.09 -0.69 -1.32 0.00 0.00 176.35 174.96 2dj3 s VAL 61 N 2.04 0.19 -0.41 1.68 1.01 -1.17 -4.48 120.40 119.26 2dj3 s VAL 61 Ca -0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 2dj3 s VAL 61 Cb -0.12 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.36 2dj3 s VAL 61 CO -0.06 -0.41 1.38 -0.63 0.00 0.00 0.00 175.10 175.38 2dj3 s ILE 62 N 2.00 3.94 0.34 2.22 1.01 -1.26 -2.97 121.20 126.48 2dj3 s ILE 62 Ca 0.04 0.97 0.09 0.00 0.00 0.00 0.00 60.65 61.75 2dj3 s ILE 62 Cb -0.16 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.02 2dj3 s ILE 62 CO -0.17 -0.75 -0.09 0.00 0.00 0.00 0.00 174.94 173.93 2dj3 s ALA 63 N 5.27 2.91 0.23 9.38 0.00 -0.16 -2.68 121.76 136.72 2dj3 s ALA 63 Ca 0.60 -2.09 0.04 0.00 0.00 0.00 0.00 51.96 50.51 2dj3 s ALA 63 Cb -0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 2dj3 s ALA 63 CO 0.32 0.05 -0.00 -1.59 0.00 0.00 0.00 175.76 174.54 2dj3 s LYS 64 N -3.63 1.34 0.05 0.00 -2.85 0.14 -1.94 119.74 112.86 2dj3 s LYS 64 Ca 0.32 -1.68 -0.24 0.00 -1.00 0.00 0.00 55.97 53.38 2dj3 s LYS 64 Cb 0.03 -0.63 0.06 0.00 -2.06 0.00 0.00 37.83 35.23 2dj3 s LYS 64 CO 0.16 -0.09 0.56 1.41 0.10 0.00 0.00 175.35 177.49 2dj3 s MET 65 N -3.86 1.09 -1.01 1.78 1.75 -0.79 0.21 119.30 118.47 2dj3 s MET 65 Ca 0.28 -0.20 -0.09 0.00 -1.25 0.00 0.00 55.69 54.44 2dj3 s MET 65 Cb 0.06 0.50 0.25 0.00 2.84 0.00 0.00 34.83 38.48 2dj3 s MET 65 CO 0.09 -0.40 0.97 -0.51 -0.65 0.00 0.00 175.02 174.51 2dj3 s ASP 66 N -2.00 6.96 0.54 1.11 1.11 -1.26 -1.19 116.67 121.95 2dj3 s ASP 66 Ca -0.05 -3.39 0.36 0.00 0.18 0.00 0.00 52.55 49.65 2dj3 s ASP 66 Cb -0.01 -2.16 1.55 0.00 1.07 0.00 0.00 42.92 43.37 2dj3 s ASP 66 CO -0.02 -0.34 1.80 0.00 1.18 0.00 0.00 175.17 177.80 2dj3 h ALA 67 N 6.83 3.11 -0.66 5.23 0.00 -1.73 0.44 119.26 132.49 2dj3 h ALA 67 Ca 0.15 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.13 2dj3 h ALA 67 Cb 0.90 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2dj3 h ALA 67 CO 0.93 -1.45 0.44 1.79 0.00 0.00 0.00 179.25 180.95 2dj3 h THR 68 N 0.01 0.88 0.00 0.00 1.35 -1.90 -3.08 112.91 110.17 2dj3 h THR 68 Ca 0.57 -0.16 -0.37 0.00 -0.55 0.00 0.00 66.41 65.90 2dj3 h THR 68 Cb 2.26 0.39 -0.06 0.00 -1.73 0.00 0.00 68.15 69.00 2dj3 h THR 68 CO -0.01 0.08 -2.36 0.00 -0.25 0.00 0.00 175.52 172.98 2dj3 n ALA 69 N -2.51 1.47 -2.69 6.62 0.00 0.13 -4.93 120.51 118.60 2dj3 n ALA 69 Ca 0.11 -1.01 -0.38 0.00 0.00 0.00 0.00 53.44 52.16 2dj3 n ALA 69 Cb 0.40 -0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 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 -6.45 6.51 -0.30 0.00 0.01 0.04 -5.02 114.94 109.73 2dj3 s ASN 70 Ca -0.32 0.60 -0.24 0.00 -0.71 0.00 0.00 52.86 52.18 2dj3 s ASN 70 Cb 0.09 -2.24 0.00 0.00 0.41 0.00 0.00 41.25 39.51 2dj3 s ASN 70 CO 0.53 -0.05 0.82 -1.81 -1.51 0.00 0.00 177.10 175.08 2dj3 s ASP 71 N 0.90 6.71 -0.60 -1.22 1.11 -1.26 -4.21 116.67 118.09 2dj3 s ASP 71 Ca 0.21 0.74 -0.26 0.00 0.18 0.00 0.00 52.55 53.41 2dj3 s ASP 71 Cb -0.15 -2.42 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 2dj3 s ASP 71 CO 0.08 -0.63 2.06 -0.63 1.18 0.00 0.00 175.17 177.23 2dj3 s ILE 72 N 3.01 3.24 0.31 0.77 1.01 -1.26 -4.82 121.20 123.46 2dj3 s ILE 72 Ca 0.34 0.09 0.06 0.00 0.00 0.00 0.00 60.65 61.14 2dj3 s ILE 72 Cb -0.14 -3.63 0.30 0.00 0.01 0.00 0.00 42.46 39.01 2dj3 s ILE 72 CO 0.12 -0.61 1.80 0.71 0.00 0.00 0.00 174.94 176.96 2dj3 h THR 73 N 7.19 0.75 -1.84 2.92 1.35 -1.93 -3.42 112.91 117.93 2dj3 h THR 73 Ca -0.22 -0.27 -0.21 0.00 -0.55 0.00 0.00 66.41 65.16 2dj3 h THR 73 Cb 1.18 -0.11 0.12 0.00 -1.73 0.00 0.00 68.15 67.61 2dj3 h THR 73 CO 1.19 0.14 -0.34 0.59 -0.25 0.00 0.00 175.52 176.86 2dj3 n ASN 74 N -4.71 -2.89 0.00 5.36 4.13 -1.26 -4.99 115.26 110.90 2dj3 n ASN 74 Ca 0.22 -0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.15 2dj3 n ASN 74 Cb 0.53 -0.73 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 2dj3 n ASN 74 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2dj3 n ASP 75 N -0.68 3.95 0.09 6.41 9.92 -1.26 -4.73 116.55 130.26 2dj3 n ASP 75 Ca 0.05 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.27 2dj3 n ASP 75 Cb 0.33 0.18 0.13 0.00 -0.64 0.00 0.00 41.12 41.12 2dj3 n ASP 75 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2dj3 h GLN 76 N 0.00 0.20 -6.18 -1.24 7.50 -1.94 -3.39 115.11 110.06 2dj3 h GLN 76 Ca 0.00 -0.14 -0.57 0.00 0.50 0.00 0.00 58.65 58.44 2dj3 h GLN 76 Cb 0.90 0.02 -0.09 0.00 0.05 0.00 0.00 27.48 28.36 2dj3 h GLN 76 CO 0.00 0.74 1.33 0.71 -1.50 0.00 0.00 178.83 180.11 2dj3 s TYR 77 N -3.75 2.41 -0.30 2.96 1.51 -1.26 -4.95 117.35 113.98 2dj3 s TYR 77 Ca -0.04 -0.51 -0.01 0.00 -1.01 0.00 0.00 57.07 55.50 2dj3 s TYR 77 Cb 0.12 -4.65 0.06 0.00 -0.11 0.00 0.00 41.96 37.38 2dj3 s TYR 77 CO 0.79 -1.99 0.00 0.15 -1.11 0.00 0.00 175.55 173.40 2dj3 s LYS 78 N 5.32 2.35 -1.14 -0.62 1.02 -1.26 -4.90 119.74 120.51 2dj3 s LYS 78 Ca 0.43 -1.33 -0.19 0.00 0.02 0.00 0.00 55.97 54.90 2dj3 s LYS 78 Cb -0.03 -3.18 0.09 0.00 -0.52 0.00 0.00 37.83 34.20 2dj3 s LYS 78 CO -0.01 -0.65 1.50 0.08 -0.92 0.00 0.00 175.35 175.34 2dj3 s VAL 79 N 1.22 4.32 0.34 3.17 1.01 -1.26 -4.81 120.40 124.40 2dj3 s VAL 79 Ca -0.04 -1.64 0.02 0.00 0.00 0.00 0.00 61.98 60.32 2dj3 s VAL 79 Cb -0.20 -5.04 0.24 0.00 0.00 0.00 0.00 36.38 31.38 2dj3 s VAL 79 CO -0.02 -1.84 1.97 -0.33 0.00 0.00 0.00 175.10 174.88 2dj3 h GLU 80 N 8.38 0.77 0.00 2.72 5.08 -1.96 -3.46 114.58 126.10 2dj3 h GLU 80 Ca 0.30 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2dj3 h GLU 80 Cb 0.94 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2dj3 h GLU 80 CO 1.35 0.56 0.00 0.41 -1.00 0.00 0.00 179.01 180.34 2dj3 n GLY 81 N -1.29 4.36 3.42 -3.84 0.00 -1.26 -5.19 105.19 101.39 2dj3 n GLY 81 Ca 0.05 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.04 -0.53 1.24 1.61 0.40 -1.26 -4.42 117.98 114.98 2dj3 s PHE 82 Ca 0.00 1.17 -0.20 0.00 -0.60 0.00 0.00 56.93 57.30 2dj3 s PHE 82 Cb 0.00 0.22 0.30 0.00 0.51 0.00 0.00 43.02 44.05 2dj3 s PHE 82 CO 0.00 -0.36 1.11 -1.25 0.70 0.00 0.00 175.22 175.42 2dj3 s PRO 83 N -0.28 -1.50 -0.29 0.24 0.04 -1.26 -4.95 135.00 127.00 2dj3 s PRO 83 Ca -0.04 -0.17 0.02 0.00 0.04 0.00 0.00 61.00 60.84 2dj3 s PRO 83 Cb -0.03 -1.57 0.18 0.00 0.04 0.00 0.00 34.50 33.11 2dj3 s PRO 83 CO 0.03 -3.87 0.53 0.99 0.04 0.00 0.00 177.00 174.71 2dj3 s THR 84 N -3.02 -0.87 0.06 1.26 2.01 -1.06 -5.02 115.64 109.00 2dj3 s THR 84 Ca 0.72 -0.06 -0.10 0.00 0.31 0.00 0.00 61.69 62.56 2dj3 s THR 84 Cb -0.08 -0.97 -0.06 0.00 0.01 0.00 0.00 72.50 71.41 2dj3 s THR 84 CO 0.56 -0.07 0.38 -0.63 -0.69 0.00 0.00 174.62 174.17 2dj3 s ILE 85 N 2.74 5.12 -0.09 1.82 1.01 -1.26 -0.20 121.20 130.34 2dj3 s ILE 85 Ca 0.14 0.45 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 2dj3 s ILE 85 Cb -0.13 -3.64 0.05 0.00 0.01 0.00 0.00 42.46 38.75 2dj3 s ILE 85 CO -0.23 0.33 0.17 -0.31 0.00 0.00 0.00 174.94 174.90 2dj3 s TYR 86 N -1.35 -0.21 -0.30 3.97 2.02 0.86 -2.67 117.35 119.67 2dj3 s TYR 86 Ca 0.31 0.64 -0.17 0.00 -0.37 0.00 0.00 57.07 57.48 2dj3 s TYR 86 Cb -0.14 -0.22 -0.02 0.00 -0.40 0.00 0.00 41.96 41.18 2dj3 s TYR 86 CO 0.17 -0.27 0.48 0.12 -1.57 0.00 0.00 175.55 174.48 2dj3 s PHE 87 N 2.20 3.23 -0.64 2.71 2.19 -0.36 -1.12 117.98 126.18 2dj3 s PHE 87 Ca 0.02 0.39 -0.12 0.00 0.33 0.00 0.00 56.93 57.55 2dj3 s PHE 87 Cb -0.12 -2.77 0.17 0.00 -1.31 0.00 0.00 43.02 38.98 2dj3 s PHE 87 CO -0.06 -0.38 0.56 0.00 1.83 0.00 0.00 175.22 177.17 2dj3 s ALA 88 N 2.29 3.75 -0.17 11.12 0.00 -0.71 -2.71 121.76 135.32 2dj3 s ALA 88 Ca 0.19 -2.93 -0.29 0.00 0.00 0.00 0.00 51.96 48.93 2dj3 s ALA 88 Cb -0.16 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2dj3 s ALA 88 CO 0.11 -2.10 1.58 -1.25 0.00 0.00 0.00 175.76 174.10 2dj3 s PRO 89 N 0.79 3.94 -0.50 0.00 0.04 -1.26 -2.20 135.00 135.81 2dj3 s PRO 89 Ca 0.11 1.79 -0.28 0.00 0.04 0.00 0.00 61.00 62.65 2dj3 s PRO 89 Cb -0.20 -3.99 -0.10 0.00 0.04 0.00 0.00 34.50 30.25 2dj3 s PRO 89 CO -0.03 -1.11 2.40 -1.13 0.04 0.00 0.00 177.00 177.16 2dj3 n SER 90 N 7.90 2.15 0.00 6.66 3.41 -1.26 -1.25 113.62 131.22 2dj3 n SER 90 Ca 0.18 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2dj3 n SER 90 Cb 0.45 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 2dj3 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj3 n GLY 91 N 6.13 3.36 1.62 5.00 0.00 -1.26 -4.89 105.19 115.15 2dj3 n GLY 91 Ca 0.41 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 4.09 -0.32 1.61 8.00 -0.38 -4.78 116.55 124.77 2dj3 n ASP 92 Ca 0.00 -3.80 0.01 0.00 0.71 0.00 0.00 54.79 51.71 2dj3 n ASP 92 Cb 0.00 -0.44 0.19 0.00 -0.02 0.00 0.00 41.12 40.85 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 1.80 1.13 -0.50 -1.24 1.57 -1.66 -2.82 116.57 114.85 2dj3 h LYS 93 Ca 0.28 -0.07 0.19 0.00 -1.87 0.00 0.00 60.65 59.18 2dj3 h LYS 93 Cb 1.38 -0.26 -0.09 0.00 0.08 0.00 0.00 32.23 33.34 2dj3 h LYS 93 CO 0.58 0.75 0.21 1.17 -0.57 0.00 0.00 179.45 181.59 2dj3 n LYS 94 N -4.44 -0.03 -3.59 3.15 3.00 -1.26 -2.32 118.16 112.67 2dj3 n LYS 94 Ca 0.12 0.70 -0.40 0.00 -0.00 0.00 0.00 58.31 58.73 2dj3 n LYS 94 Cb 0.09 -1.22 -0.08 0.00 0.00 0.00 0.00 35.03 33.83 2dj3 n LYS 94 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2dj3 s ASN 95 N -4.82 5.70 0.42 3.14 0.01 -1.07 -4.89 114.94 113.45 2dj3 s ASN 95 Ca -0.05 -2.44 -0.24 0.00 -0.71 0.00 0.00 52.86 49.42 2dj3 s ASN 95 Cb 0.16 -1.98 -0.08 0.00 0.41 0.00 0.00 41.25 39.77 2dj3 s ASN 95 CO 0.39 -0.54 1.18 -2.16 -1.51 0.00 0.00 177.10 174.46 2dj3 s PRO 96 N 0.56 3.93 -0.41 -0.60 0.04 -0.98 -4.86 135.00 132.68 2dj3 s PRO 96 Ca 0.13 1.84 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 2dj3 s PRO 96 Cb -0.20 -2.58 0.10 0.00 0.04 0.00 0.00 34.50 31.86 2dj3 s PRO 96 CO -0.04 -0.43 0.21 0.42 0.04 0.00 0.00 177.00 177.21 2dj3 s ILE 97 N -1.45 3.46 0.20 0.56 1.01 -1.10 -4.95 121.20 118.94 2dj3 s ILE 97 Ca 0.60 -1.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.06 2dj3 s ILE 97 Cb -0.30 -3.31 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 2dj3 s ILE 97 CO 0.38 -0.64 0.87 -0.75 0.00 0.00 0.00 174.94 174.80 2dj3 s LYS 98 N 1.20 4.73 -0.60 2.79 2.20 -1.26 -1.23 119.74 127.57 2dj3 s LYS 98 Ca 0.06 1.34 -0.27 0.00 -0.36 0.00 0.00 55.97 56.75 2dj3 s LYS 98 Cb -0.23 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 2dj3 s LYS 98 CO -0.03 0.53 1.60 0.12 -0.36 0.00 0.00 175.35 177.21 2dj3 s PHE 99 N -1.13 1.99 -0.62 4.03 2.19 -1.09 -4.87 117.98 118.48 2dj3 s PHE 99 Ca 0.39 0.50 0.03 0.00 0.33 0.00 0.00 56.93 58.18 2dj3 s PHE 99 Cb -0.25 -4.30 0.38 0.00 -1.31 0.00 0.00 43.02 37.55 2dj3 s PHE 99 CO 0.29 -2.21 1.40 0.39 1.83 0.00 0.00 175.22 176.93 2dj3 n GLU 100 N 9.02 3.38 -3.47 10.12 1.02 -1.26 -4.80 120.64 134.65 2dj3 n GLU 100 Ca 0.14 -4.30 -0.24 0.00 -0.02 0.00 0.00 57.16 52.74 2dj3 n GLU 100 Cb 0.50 -2.27 -0.02 0.00 -0.02 0.00 0.00 31.44 29.63 2dj3 n GLU 100 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dj3 s GLY 101 N -2.68 1.40 -0.02 0.62 0.00 -1.26 -4.98 107.32 100.40 2dj3 s GLY 101 Ca 0.49 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 44.30 2dj3 s GLY 101 CO -0.24 -0.86 0.68 0.61 0.00 0.00 0.00 173.10 173.29 2dj3 n GLY 102 N -1.59 1.72 3.15 0.20 0.00 -1.26 -4.57 105.19 102.83 2dj3 n GLY 102 Ca -0.05 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 0.08 -0.63 -1.01 1.61 0.01 -1.26 -5.05 114.94 108.69 2dj3 s ASN 103 Ca 0.04 0.30 -0.05 0.00 -0.71 0.00 0.00 52.86 52.44 2dj3 s ASN 103 Cb 0.03 1.49 0.08 0.00 0.41 0.00 0.00 41.25 43.26 2dj3 s ASN 103 CO 0.01 -0.12 2.59 -1.14 -1.51 0.00 0.00 177.10 176.93 2dj3 n ARG 104 N 5.39 3.77 -4.34 -0.60 0.63 -1.26 -4.41 116.66 115.84 2dj3 n ARG 104 Ca -0.02 -2.95 -0.23 0.00 -0.92 0.00 0.00 57.85 53.72 2dj3 n ARG 104 Cb 0.54 -2.46 -0.08 0.00 0.45 0.00 0.00 32.46 30.91 2dj3 n ARG 104 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2dj3 s ASP 105 N 0.52 4.28 0.59 6.15 1.47 -1.26 -4.92 116.67 123.50 2dj3 s ASP 105 Ca 0.57 -0.77 0.29 0.00 1.18 0.00 0.00 52.55 53.82 2dj3 s ASP 105 Cb 0.25 -0.68 1.44 0.00 -0.34 0.00 0.00 42.92 43.59 2dj3 s ASP 105 CO -0.13 -0.01 1.85 0.25 0.68 0.00 0.00 175.17 177.81 2dj3 h LEU 106 N 1.97 0.00 0.01 2.11 5.85 -1.92 0.40 115.31 123.73 2dj3 h LEU 106 Ca -0.43 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 2dj3 h LEU 106 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2dj3 h LEU 106 CO 0.61 0.00 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.37 2dj3 h GLU 107 N 0.00 -0.01 0.01 1.25 3.07 -1.94 -3.02 114.58 113.94 2dj3 h GLU 107 Ca 0.25 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.11 2dj3 h GLU 107 Cb 1.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 2dj3 h GLU 107 CO -0.00 0.39 -0.00 0.45 -1.40 0.00 0.00 179.01 178.44 2dj3 h HIS 108 N -0.41 -0.01 -0.97 4.33 3.86 -1.24 -3.26 115.15 117.46 2dj3 h HIS 108 Ca -0.00 -0.00 0.23 0.00 -1.16 0.00 0.00 60.37 59.44 2dj3 h HIS 108 Cb 0.40 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.69 2dj3 h HIS 108 CO 0.06 0.83 -0.10 1.28 0.86 0.00 0.00 177.93 180.87 2dj3 n LEU 109 N -4.67 -0.22 -0.11 2.43 4.77 0.12 0.20 117.00 119.52 2dj3 n LEU 109 Ca -0.09 1.65 -0.02 0.00 -0.03 0.00 0.00 56.01 57.52 2dj3 n LEU 109 Cb 0.41 -0.56 0.22 0.00 -2.33 0.00 0.00 43.42 41.17 2dj3 n LEU 109 CO 0.31 -1.63 1.01 0.77 -1.33 0.00 0.00 177.39 176.52 2dj3 h SER 110 N 0.00 0.72 0.58 -1.43 4.64 -1.64 -0.93 113.55 115.49 2dj3 h SER 110 Ca 0.53 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2dj3 h SER 110 Cb 0.98 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2dj3 h SER 110 CO -0.95 0.69 0.00 0.29 -0.87 0.00 0.00 176.83 176.00 2dj3 n LYS 111 N -4.30 0.01 -0.07 4.77 5.02 0.53 -1.97 118.16 122.15 2dj3 n LYS 111 Ca 0.04 0.23 -0.15 0.00 -2.02 0.00 0.00 58.31 56.41 2dj3 n LYS 111 Cb 0.20 -1.52 -0.14 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.55 0.45 -0.03 2.13 -0.00 -0.42 -4.03 117.46 114.00 2dj3 n PHE 112 Ca 0.04 0.12 -0.14 0.00 -0.00 0.00 0.00 57.45 57.47 2dj3 n PHE 112 Cb 0.19 -1.07 -0.11 0.00 -0.00 0.00 0.00 39.48 38.50 2dj3 n PHE 112 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2dj3 h ILE 113 N 0.02 1.53 -0.90 -2.13 2.04 -1.18 -2.05 117.51 114.84 2dj3 h ILE 113 Ca -0.49 -1.62 0.17 0.00 1.00 0.00 0.00 64.86 63.92 2dj3 h ILE 113 Cb 2.04 2.60 -0.07 0.00 -0.74 0.00 0.00 36.82 40.65 2dj3 h ILE 113 CO 0.01 0.43 0.58 -0.78 0.00 0.00 0.00 178.15 178.39 2dj3 h ASP 114 N -0.62 0.58 0.16 1.72 1.82 -1.62 1.49 116.42 119.95 2dj3 h ASP 114 Ca -0.00 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.68 2dj3 h ASP 114 Cb 0.72 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.66 2dj3 h ASP 114 CO 0.01 0.27 -0.07 -0.33 -1.61 0.00 0.00 179.24 177.50 2dj3 h GLU 115 N 0.60 -0.20 -0.64 0.28 4.39 -1.69 -3.23 114.58 114.09 2dj3 h GLU 115 Ca 0.46 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.18 2dj3 h GLU 115 Cb 0.87 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2dj3 h GLU 115 CO -0.21 0.22 0.00 0.72 -1.16 0.00 0.00 179.01 178.58 2dj3 n HIS 116 N -4.91 0.42 -1.23 4.33 8.25 -0.77 -4.77 115.22 116.54 2dj3 n HIS 116 Ca -0.07 -0.16 -0.15 0.00 -0.26 0.00 0.00 57.72 57.08 2dj3 n HIS 116 Cb 0.26 -0.13 0.11 0.00 1.12 0.00 0.00 29.99 31.35 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 0.11 -1.12 -0.70 -1.41 0.00 0.51 -4.86 120.51 113.04 2dj3 n ALA 117 Ca 0.07 -0.86 -0.07 0.00 0.00 0.00 0.00 53.44 52.57 2dj3 n ALA 117 Cb 0.37 -0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.67 2dj3 n ALA 117 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2dj3 n THR 118 N -3.20 2.20 -3.79 0.00 5.66 -1.26 -4.62 114.28 109.27 2dj3 n THR 118 Ca 0.08 -0.99 -0.23 0.00 -3.05 0.00 0.00 64.05 59.86 2dj3 n THR 118 Cb 0.30 -1.77 0.02 0.00 -1.55 0.00 0.00 70.33 67.33 2dj3 n THR 118 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dj3 n LYS 119 N 2.33 -4.61 -1.70 1.09 4.76 -1.26 -4.86 118.16 113.91 2dj3 n LYS 119 Ca 0.25 0.57 -0.43 0.00 -2.87 0.00 0.00 58.31 55.83 2dj3 n LYS 119 Cb 0.65 -5.07 -0.02 0.00 -1.84 0.00 0.00 35.03 28.75 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 -4.35 2.25 -0.05 1.97 0.63 -1.26 -4.91 116.66 110.94 2dj3 n ARG 120 Ca -0.26 0.80 -0.07 0.00 -0.92 0.00 0.00 57.85 57.40 2dj3 n ARG 120 Cb 0.66 -2.47 -0.05 0.00 0.45 0.00 0.00 32.46 31.05 2dj3 n ARG 120 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2dj3 n SER 121 N 1.83 3.21 -1.93 6.15 7.64 -1.26 -4.66 113.62 124.59 2dj3 n SER 121 Ca 0.09 -0.05 -0.11 0.00 1.01 0.00 0.00 58.87 59.81 2dj3 n SER 121 Cb 0.34 -0.16 -0.12 0.00 -1.01 0.00 0.00 64.21 63.26 2dj3 n SER 121 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2dj3 n ARG 122 N -2.80 1.82 0.34 1.43 0.63 -1.26 -4.56 116.66 112.26 2dj3 n ARG 122 Ca -0.18 -0.92 -0.13 0.00 -0.92 0.00 0.00 57.85 55.70 2dj3 n ARG 122 Cb 0.69 -1.79 -0.06 0.00 0.45 0.00 0.00 32.46 31.75 2dj3 n ARG 122 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2dj3 h THR 123 N 1.76 0.00 -1.55 5.15 2.02 -2.00 -3.48 112.91 114.81 2dj3 h THR 123 Ca 0.17 -0.06 0.23 0.00 0.77 0.00 0.00 66.41 67.52 2dj3 h THR 123 Cb 1.33 0.00 -0.19 0.00 -1.74 0.00 0.00 68.15 67.55 2dj3 h THR 123 CO 0.25 0.00 0.77 -1.59 0.37 0.00 0.00 175.52 175.32 2dj3 s LYS 124 N -4.77 0.37 0.12 6.66 0.00 -1.26 -5.17 119.74 115.68 2dj3 s LYS 124 Ca -0.13 -0.11 0.03 0.00 0.00 0.00 0.00 55.97 55.76 2dj3 s LYS 124 Cb 0.01 0.17 -0.04 0.00 0.00 0.00 0.00 37.83 37.97 2dj3 s LYS 124 CO 0.38 -0.16 0.14 -1.21 0.00 0.00 0.00 175.35 174.51 2dj3 s GLU 125 N -2.35 3.01 -0.35 1.78 0.41 -1.26 -5.09 118.70 114.84 2dj3 s GLU 125 Ca 0.08 -0.73 0.01 0.00 -0.41 0.00 0.00 54.97 53.93 2dj3 s GLU 125 Cb -0.01 -2.75 0.10 0.00 -1.78 0.00 0.00 34.13 29.69 2dj3 s GLU 125 CO -0.05 0.53 0.09 -2.00 -0.49 0.00 0.00 175.26 173.34 2dj3 s GLU 126 N -2.78 1.77 -0.01 1.61 2.12 -1.26 -5.08 118.70 115.07 2dj3 s GLU 126 Ca 0.31 -1.78 0.02 0.00 0.36 0.00 0.00 54.97 53.88 2dj3 s GLU 126 Cb -0.11 -3.31 -0.00 0.00 0.26 0.00 0.00 34.13 30.97 2dj3 s GLU 126 CO 0.24 -0.94 -0.05 -0.51 -0.54 0.00 0.00 175.26 173.46 2dj3 s LEU 127 N 1.02 1.97 0.26 2.70 1.02 -1.26 -5.15 118.68 119.24 2dj3 s LEU 127 Ca 0.08 -0.10 -0.19 0.00 0.02 0.00 0.00 54.13 53.94 2dj3 s LEU 127 Cb -0.20 -0.28 0.02 0.00 0.02 0.00 0.00 46.19 45.74 2dj3 s LEU 127 CO -0.06 0.06 0.65 -0.44 0.02 0.00 0.00 176.35 176.58 2dj3 s SER 128 N -0.07 -0.23 0.06 2.29 0.01 -1.26 -5.19 113.70 109.31 2dj3 s SER 128 Ca 0.01 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.63 2dj3 s SER 128 Cb -0.03 0.68 -0.00 0.00 0.21 0.00 0.00 66.02 66.88 2dj3 s SER 128 CO -0.00 -1.27 0.04 0.61 0.41 0.00 0.00 173.24 173.03 2dj3 n GLY 129 N -0.43 3.90 3.63 3.44 0.00 -1.26 -5.11 105.19 109.36 2dj3 n GLY 129 Ca -0.04 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.23 3.80 -0.55 1.61 0.04 -1.26 -4.94 135.00 131.46 2dj3 s PRO 130 Ca 0.05 1.66 -0.27 0.00 0.04 0.00 0.00 61.00 62.48 2dj3 s PRO 130 Cb 0.00 -4.03 -0.01 0.00 0.04 0.00 0.00 34.50 30.50 2dj3 s PRO 130 CO 0.04 -1.29 1.66 -1.54 0.04 0.00 0.00 177.00 175.90 2dj3 s SER 131 N 4.22 5.73 -0.00 6.66 1.04 -1.26 -4.92 113.70 125.16 2dj3 s SER 131 Ca 0.71 0.43 -0.39 0.00 0.48 0.00 0.00 55.95 57.19 2dj3 s SER 131 Cb -0.25 -2.54 -0.19 0.00 0.10 0.00 0.00 66.02 63.15 2dj3 s SER 131 CO 0.29 -2.00 1.22 -1.54 0.98 0.00 0.00 173.24 172.20 2dj3 n SER 132 N 11.03 0.77 0.00 7.02 3.41 -1.26 -5.36 113.62 129.23 2dj3 n SER 132 Ca 0.17 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 2dj3 n SER 132 Cb 0.50 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2dj3 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49