#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 0.68 0.55 1.61 0.01 -1.26 -5.15 113.70 110.15 2dj3 s SER 2 Ca 0.00 0.37 -0.16 0.00 1.31 0.00 0.00 55.95 57.47 2dj3 s SER 2 Cb 0.00 0.41 -0.06 0.00 0.21 0.00 0.00 66.02 66.59 2dj3 s SER 2 CO 0.00 -0.25 1.02 -0.55 0.41 0.00 0.00 173.24 173.88 2dj3 s SER 3 N 2.33 6.18 -0.36 2.44 0.15 -1.26 -5.02 113.70 118.16 2dj3 s SER 3 Ca 0.03 1.71 -0.18 0.00 0.70 0.00 0.00 55.95 58.21 2dj3 s SER 3 Cb -0.12 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2dj3 s SER 3 CO -0.07 -0.90 0.50 -0.83 1.20 0.00 0.00 173.24 173.14 2dj3 s GLY 4 N -2.89 1.83 -0.02 9.45 0.00 -1.26 -4.97 107.32 109.47 2dj3 s GLY 4 Ca 0.62 -1.10 -0.20 0.00 0.00 0.00 0.00 44.72 44.04 2dj3 s GLY 4 CO 0.34 1.25 0.82 1.76 0.00 0.00 0.00 173.10 177.27 2dj3 h SER 5 N 8.52 -0.59 -1.00 1.64 0.02 -1.95 -3.36 113.55 116.82 2dj3 h SER 5 Ca -0.28 0.01 -0.58 0.00 -0.84 0.00 0.00 61.79 60.11 2dj3 h SER 5 Cb 1.12 0.15 -0.41 0.00 0.14 0.00 0.00 62.40 63.40 2dj3 h SER 5 CO 0.78 -0.18 -0.61 -1.20 -1.14 0.00 0.00 176.83 174.48 2dj3 n SER 6 N -5.24 5.16 0.00 3.07 7.64 -1.26 -5.03 113.62 117.96 2dj3 n SER 6 Ca -0.09 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.04 2dj3 n SER 6 Cb 0.28 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2dj3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj3 n GLY 7 N -0.66 4.42 0.20 0.23 0.00 -1.26 -4.99 105.19 103.13 2dj3 n GLY 7 Ca 0.44 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 0.66 -6.39 1.61 0.13 -1.86 -3.37 132.00 122.78 2dj3 h PRO 8 Ca 0.00 -0.35 -0.56 0.00 -0.87 0.00 0.00 66.00 64.22 2dj3 h PRO 8 Cb 0.00 0.01 0.03 0.00 0.13 0.00 0.00 31.00 31.17 2dj3 h PRO 8 CO 0.00 0.96 1.13 0.28 -0.23 0.00 0.00 178.00 180.14 2dj3 n VAL 9 N -4.30 0.55 -2.44 1.56 0.31 -1.26 -4.74 118.33 108.01 2dj3 n VAL 9 Ca -0.04 -0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 63.78 2dj3 n VAL 9 Cb 0.46 -2.09 -0.04 0.00 -0.91 0.00 0.00 33.84 31.27 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 3.61 4.54 -0.18 5.55 2.47 -1.08 -4.84 119.74 129.82 2dj3 s LYS 10 Ca 0.87 1.81 -0.10 0.00 -1.56 0.00 0.00 55.97 56.99 2dj3 s LYS 10 Cb -0.54 -3.25 -0.05 0.00 -1.46 0.00 0.00 37.83 32.54 2dj3 s LYS 10 CO 0.43 0.00 0.16 0.14 0.16 0.00 0.00 175.35 176.24 2dj3 s VAL 11 N -0.25 5.41 0.11 4.02 -7.23 -1.26 0.76 120.40 121.96 2dj3 s VAL 11 Ca 0.51 0.25 0.10 0.00 -1.81 0.00 0.00 61.98 61.02 2dj3 s VAL 11 Cb -0.31 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 2dj3 s VAL 11 CO 0.37 0.47 -0.25 -0.69 -0.31 0.00 0.00 175.10 174.69 2dj3 s VAL 12 N 0.06 2.07 0.49 1.32 1.01 0.69 -4.89 120.40 121.15 2dj3 s VAL 12 Ca 0.11 -1.64 0.02 0.00 0.00 0.00 0.00 61.98 60.47 2dj3 s VAL 12 Cb -0.12 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 2dj3 s VAL 12 CO 0.00 0.08 0.01 0.68 0.00 0.00 0.00 175.10 175.87 2dj3 s VAL 13 N -1.05 1.25 0.52 2.92 -7.23 -1.26 -4.35 120.40 111.20 2dj3 s VAL 13 Ca 0.11 -2.00 0.18 0.00 -1.81 0.00 0.00 61.98 58.46 2dj3 s VAL 13 Cb -0.10 -2.29 0.28 0.00 0.56 0.00 0.00 36.38 34.82 2dj3 s VAL 13 CO 0.05 0.00 2.15 1.23 -0.31 0.00 0.00 175.10 178.22 2dj3 h GLY 14 N 1.44 0.00 1.76 2.32 0.00 -1.93 1.10 103.07 107.76 2dj3 h GLY 14 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2dj3 h GLY 14 CO 0.74 0.00 -0.22 0.07 0.00 0.00 0.00 176.54 177.13 2dj3 h LYS 15 N 0.00 0.00 0.00 4.80 2.10 -1.98 -3.29 116.57 118.20 2dj3 h LYS 15 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2dj3 h LYS 15 Cb 0.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 2dj3 h LYS 15 CO 0.00 0.00 -0.15 0.25 -2.00 0.00 0.00 179.45 177.55 2dj3 n THR 16 N -2.78 1.57 -0.07 0.07 -2.24 -0.22 -4.76 114.28 105.85 2dj3 n THR 16 Ca 0.04 -1.96 -0.06 0.00 -2.27 0.00 0.00 64.05 59.79 2dj3 n THR 16 Cb 0.51 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.11 0.00 0.00 4.78 3.04 0.11 -2.48 116.94 122.50 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 1.09 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.60 2dj3 h PHE 17 CO 0.09 0.32 0.00 -0.25 -2.02 0.00 0.00 178.31 176.45 2dj3 n ASP 18 N -4.65 0.00 -0.11 0.41 8.00 -1.26 -0.69 116.55 118.25 2dj3 n ASP 18 Ca -0.08 0.39 -0.19 0.00 0.71 0.00 0.00 54.79 55.61 2dj3 n ASP 18 Cb 0.25 -0.43 -0.12 0.00 -0.02 0.00 0.00 41.12 40.80 2dj3 n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dj3 n ALA 19 N -1.43 1.33 -0.00 2.24 0.00 -1.25 -4.18 120.51 117.21 2dj3 n ALA 19 Ca 0.03 -1.02 -0.00 0.00 0.00 0.00 0.00 53.44 52.45 2dj3 n ALA 19 Cb 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -3.34 0.04 -0.19 0.00 5.41 -0.93 -3.69 119.36 116.67 2dj3 n ILE 20 Ca -0.44 0.49 0.25 0.00 1.00 0.00 0.00 62.75 64.05 2dj3 n ILE 20 Cb 0.99 -1.52 0.65 0.00 -0.71 0.00 0.00 39.64 39.05 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 -0.03 0.61 -0.85 1.39 2.07 -1.06 0.19 116.25 118.56 2dj3 h VAL 21 Ca 0.00 -0.05 -0.57 0.00 0.82 0.00 0.00 66.70 66.91 2dj3 h VAL 21 Cb 0.02 0.45 -0.31 0.00 -1.52 0.00 0.00 31.29 29.94 2dj3 h VAL 21 CO 0.00 0.03 0.28 0.23 0.02 0.00 0.00 177.57 178.13 2dj3 n MET 22 N -4.37 2.78 -2.97 1.57 2.81 -0.55 -4.59 117.12 111.81 2dj3 n MET 22 Ca 0.18 -3.48 -0.43 0.00 -1.81 0.00 0.00 57.70 52.16 2dj3 n MET 22 Cb 0.84 -2.22 -0.05 0.00 -0.71 0.00 0.00 33.22 31.09 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 -2.34 6.37 0.00 7.83 2.15 0.66 -4.68 116.67 126.67 2dj3 s ASP 23 Ca 0.58 -0.26 0.12 0.00 0.43 0.00 0.00 52.55 53.42 2dj3 s ASP 23 Cb 0.47 -2.38 0.74 0.00 -0.30 0.00 0.00 42.92 41.45 2dj3 s ASP 23 CO 0.02 -0.97 1.17 -0.81 -0.17 0.00 0.00 175.17 174.41 2dj3 n PRO 24 N 6.78 0.49 0.14 4.34 -0.04 -1.26 -2.26 135.00 143.18 2dj3 n PRO 24 Ca 0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2dj3 n PRO 24 Cb 0.48 -1.40 0.05 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.62 0.54 1.57 -1.92 -3.40 116.57 111.74 2dj3 h LYS 25 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2dj3 h LYS 25 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.08 2dj3 h LYS 25 CO 0.00 0.02 0.49 -1.59 -0.57 0.00 0.00 179.45 177.80 2dj3 s LYS 26 N -3.30 0.65 -0.09 3.15 -2.85 -0.96 -4.93 119.74 111.42 2dj3 s LYS 26 Ca 0.02 0.19 -0.30 0.00 -1.00 0.00 0.00 55.97 54.88 2dj3 s LYS 26 Cb 0.08 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 2dj3 s LYS 26 CO 0.75 -0.20 1.41 -0.51 0.10 0.00 0.00 175.35 176.90 2dj3 s ASP 27 N -1.04 6.84 -0.16 0.03 1.11 -0.50 -4.30 116.67 118.65 2dj3 s ASP 27 Ca -0.03 1.95 -0.01 0.00 0.18 0.00 0.00 52.55 54.64 2dj3 s ASP 27 Cb -0.01 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.43 2dj3 s ASP 27 CO 0.02 -0.79 -0.11 -0.69 1.18 0.00 0.00 175.17 174.78 2dj3 s VAL 28 N 3.38 3.07 -0.56 -1.27 1.01 -0.79 -2.87 120.40 122.37 2dj3 s VAL 28 Ca 0.62 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 2dj3 s VAL 28 Cb -0.27 -2.32 0.07 0.00 0.00 0.00 0.00 36.38 33.86 2dj3 s VAL 28 CO 0.22 0.50 0.72 -0.22 0.00 0.00 0.00 175.10 176.32 2dj3 s LEU 29 N 0.72 4.96 -0.18 3.92 2.96 -1.17 -1.80 118.68 128.08 2dj3 s LEU 29 Ca -0.05 -1.04 -0.19 0.00 -0.22 0.00 0.00 54.13 52.63 2dj3 s LEU 29 Cb -0.15 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 2dj3 s LEU 29 CO 0.02 -1.06 0.53 -0.51 -1.32 0.00 0.00 176.35 174.00 2dj3 s ILE 30 N 2.94 5.11 -0.30 6.68 1.10 0.34 -1.62 121.20 135.46 2dj3 s ILE 30 Ca 0.16 0.99 0.01 0.00 -0.51 0.00 0.00 60.65 61.30 2dj3 s ILE 30 Cb -0.20 -3.85 0.06 0.00 0.15 0.00 0.00 42.46 38.62 2dj3 s ILE 30 CO 0.10 0.20 -0.03 -0.70 -2.11 0.00 0.00 174.94 172.41 2dj3 s GLU 31 N 1.43 2.20 -0.49 3.50 2.12 -1.05 0.22 118.70 126.64 2dj3 s GLU 31 Ca 0.25 -1.42 -0.28 0.00 0.36 0.00 0.00 54.97 53.88 2dj3 s GLU 31 Cb -0.15 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.16 2dj3 s GLU 31 CO 0.10 -0.67 1.40 -0.06 -0.54 0.00 0.00 175.26 175.49 2dj3 s PHE 32 N 1.13 2.36 0.11 5.30 0.08 0.27 -2.64 117.98 124.60 2dj3 s PHE 32 Ca -0.04 0.59 0.05 0.00 0.12 0.00 0.00 56.93 57.65 2dj3 s PHE 32 Cb -0.20 -4.35 -0.04 0.00 -0.57 0.00 0.00 43.02 37.86 2dj3 s PHE 32 CO -0.04 -1.94 0.03 1.52 -0.10 0.00 0.00 175.22 174.69 2dj3 s TYR 33 N 5.71 3.03 -0.18 0.36 -0.85 -0.97 -2.27 117.35 122.18 2dj3 s TYR 33 Ca 0.57 -0.02 -0.02 0.00 -0.52 0.00 0.00 57.07 57.08 2dj3 s TYR 33 Cb -0.12 -1.53 -0.01 0.00 0.38 0.00 0.00 41.96 40.68 2dj3 s TYR 33 CO 0.29 0.50 -0.09 0.00 -1.52 0.00 0.00 175.55 174.73 2dj3 s ALA 34 N -1.43 2.71 -2.00 9.51 0.00 -1.26 -4.26 121.76 125.02 2dj3 s ALA 34 Ca 0.27 -1.07 0.15 0.00 0.00 0.00 0.00 51.96 51.32 2dj3 s ALA 34 Cb -0.11 -1.48 0.89 0.00 0.00 0.00 0.00 23.12 22.42 2dj3 s ALA 34 CO 0.20 -0.17 1.30 -0.35 0.00 0.00 0.00 175.76 176.74 2dj3 n PRO 35 N 4.30 0.49 -0.07 0.00 -0.04 -1.26 -1.91 135.00 136.51 2dj3 n PRO 35 Ca -0.18 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.32 2dj3 n PRO 35 Cb 0.51 -1.48 0.06 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.98 0.00 -4.21 0.54 4.27 -1.26 -5.04 117.44 110.76 2dj3 n TRP 36 Ca 0.11 -0.65 -0.30 0.00 -3.89 0.00 0.00 57.50 52.77 2dj3 n TRP 36 Cb 0.05 -0.09 -0.09 0.00 -1.36 0.00 0.00 31.31 29.82 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 3.60 0.40 0.21 0.00 0.00 -1.95 -3.34 103.07 101.99 2dj3 h GLY 38 Ca -0.48 -1.01 0.15 0.00 0.00 0.00 0.00 47.33 45.98 2dj3 h GLY 38 CO 0.54 0.89 0.42 0.45 0.00 0.00 0.00 176.54 178.84 2dj3 h HIS 39 N -0.05 0.73 -0.41 5.60 3.86 -1.95 0.13 115.15 123.05 2dj3 h HIS 39 Ca -0.32 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2dj3 h HIS 39 Cb 1.97 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 30.22 2dj3 h HIS 39 CO 0.12 0.16 0.26 0.00 0.86 0.00 0.00 177.93 179.33 2dj3 h LYS 41 N 0.56 0.03 0.00 0.00 1.57 -0.86 1.17 116.57 119.04 2dj3 h LYS 41 Ca 0.15 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2dj3 h LYS 41 Cb -0.05 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2dj3 h LYS 41 CO -0.03 0.02 -0.11 -0.56 -0.57 0.00 0.00 179.45 178.20 2dj3 h GLN 42 N 0.03 0.00 0.00 3.15 3.07 -1.30 -2.68 115.11 117.38 2dj3 h GLN 42 Ca 0.03 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.62 2dj3 h GLN 42 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.56 2dj3 h GLN 42 CO -0.04 0.11 -1.36 -0.11 0.09 0.00 0.00 178.83 177.52 2dj3 n LEU 43 N -3.33 0.86 -0.38 0.06 7.94 -0.73 -4.12 117.00 117.31 2dj3 n LEU 43 Ca -0.00 0.37 -0.06 0.00 -1.11 0.00 0.00 56.01 55.21 2dj3 n LEU 43 Cb 0.32 0.06 -0.03 0.00 0.53 0.00 0.00 43.42 44.30 2dj3 n LEU 43 CO 0.30 0.10 0.51 -0.62 -1.11 0.00 0.00 177.39 176.57 2dj3 n GLU 44 N -2.86 -0.32 -0.10 1.96 -0.58 0.39 0.06 120.64 119.20 2dj3 n GLU 44 Ca -0.09 1.45 -0.12 0.00 -0.42 0.00 0.00 57.16 57.98 2dj3 n GLU 44 Cb 0.80 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 2dj3 n GLU 44 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dj3 h PRO 45 N 0.00 0.86 -0.94 3.49 0.13 -1.75 -2.36 132.00 131.43 2dj3 h PRO 45 Ca 0.24 -0.46 0.05 0.00 -0.87 0.00 0.00 66.00 64.97 2dj3 h PRO 45 Cb 0.48 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.56 2dj3 h PRO 45 CO -0.92 1.10 0.61 0.82 -0.23 0.00 0.00 178.00 179.38 2dj3 h ILE 46 N 0.70 1.11 -0.12 -3.56 2.04 -0.91 -2.54 117.51 114.24 2dj3 h ILE 46 Ca 0.06 -0.39 -0.17 0.00 1.00 0.00 0.00 64.86 65.36 2dj3 h ILE 46 Cb 0.97 -0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2dj3 h ILE 46 CO 0.09 0.21 -0.59 0.22 0.00 0.00 0.00 178.15 178.08 2dj3 h TYR 47 N 1.14 0.82 -0.56 1.37 3.20 -0.33 -2.97 116.97 119.63 2dj3 h TYR 47 Ca 0.39 -0.36 0.06 0.00 3.14 0.00 0.00 58.73 61.96 2dj3 h TYR 47 Cb 0.09 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.14 2dj3 h TYR 47 CO -0.01 1.16 -0.55 1.15 -1.64 0.00 0.00 178.16 178.27 2dj3 h THR 48 N 0.25 0.01 -0.51 1.81 2.02 -1.00 0.15 112.91 115.64 2dj3 h THR 48 Ca -0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2dj3 h THR 48 Cb 1.23 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2dj3 h THR 48 CO 0.12 0.00 0.21 0.28 0.37 0.00 0.00 175.52 176.50 2dj3 h SER 49 N -0.29 0.65 -0.08 4.18 0.02 -1.61 -1.24 113.55 115.19 2dj3 h SER 49 Ca 0.11 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2dj3 h SER 49 Cb 0.55 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 2dj3 h SER 49 CO -0.69 0.59 0.08 0.25 -1.14 0.00 0.00 176.83 175.92 2dj3 h LEU 50 N 0.72 0.00 0.00 5.07 5.85 -0.60 -1.19 115.31 125.17 2dj3 h LEU 50 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2dj3 h LEU 50 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2dj3 h LEU 50 CO -0.02 0.00 -0.65 0.61 -0.34 0.00 0.00 178.44 178.05 2dj3 n GLY 51 N -1.40 -0.81 0.41 3.75 0.00 -0.34 -3.01 105.19 103.80 2dj3 n GLY 51 Ca -0.01 -0.21 0.21 0.00 0.00 0.00 0.00 46.02 46.00 2dj3 n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2dj3 h LYS 52 N -0.96 0.00 0.12 1.61 2.10 -1.28 0.45 116.57 118.62 2dj3 h LYS 52 Ca 0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.33 2dj3 h LYS 52 Cb 0.65 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.97 2dj3 h LYS 52 CO 0.00 0.00 -1.65 1.57 -2.00 0.00 0.00 179.45 177.37 2dj3 h LYS 53 N 0.00 0.26 0.00 0.07 2.10 -1.40 -3.33 116.57 114.28 2dj3 h LYS 53 Ca 0.23 -0.45 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2dj3 h LYS 53 Cb 1.47 0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.96 2dj3 h LYS 53 CO -0.00 1.22 0.00 0.66 -2.00 0.00 0.00 179.45 179.32 2dj3 n TYR 54 N -3.76 0.00 0.27 0.07 4.02 0.45 -3.51 117.16 114.70 2dj3 n TYR 54 Ca -0.28 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.75 2dj3 n TYR 54 Cb 0.96 -0.09 0.84 0.00 -0.02 0.00 0.00 39.34 41.04 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 0.00 0.00 -1.23 -0.72 1.79 -0.37 -1.88 116.57 114.17 2dj3 h LYS 55 Ca 0.00 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.04 2dj3 h LYS 55 Cb 0.08 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 30.53 2dj3 h LYS 55 CO 0.00 0.00 0.56 0.41 -1.08 0.00 0.00 179.45 179.34 2dj3 n GLY 56 N -1.39 4.50 3.90 3.86 0.00 -1.23 -4.93 105.19 109.91 2dj3 n GLY 56 Ca -0.02 -1.35 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 2dj3 n GLY 56 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dj3 n GLN 57 N -0.29 0.62 -3.57 1.61 1.13 -0.71 -5.10 117.38 111.09 2dj3 n GLN 57 Ca 0.43 -3.25 -0.38 0.00 -1.94 0.00 0.00 57.00 51.85 2dj3 n GLN 57 Cb 0.81 -0.04 -0.10 0.00 0.11 0.00 0.00 30.24 31.02 2dj3 n GLN 57 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2dj3 s LYS 58 N -4.52 3.99 -1.34 -1.09 -0.14 -1.26 -4.51 119.74 110.86 2dj3 s LYS 58 Ca 0.51 -0.24 -0.13 0.00 -1.36 0.00 0.00 55.97 54.75 2dj3 s LYS 58 Cb -0.04 -3.63 0.01 0.00 -1.68 0.00 0.00 37.83 32.49 2dj3 s LYS 58 CO 0.33 -0.14 0.45 -0.25 -0.76 0.00 0.00 175.35 174.98 2dj3 n ASP 59 N 4.93 -1.96 -3.72 2.83 9.92 -1.26 -4.83 116.55 122.45 2dj3 n ASP 59 Ca -0.13 -1.16 -0.13 0.00 -0.53 0.00 0.00 54.79 52.84 2dj3 n ASP 59 Cb 0.52 -2.37 -0.13 0.00 -0.64 0.00 0.00 41.12 38.49 2dj3 n ASP 59 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2dj3 s LEU 60 N -7.12 0.40 -0.23 0.64 2.96 -1.26 -1.41 118.68 112.66 2dj3 s LEU 60 Ca 0.22 0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 54.58 2dj3 s LEU 60 Cb -0.11 0.65 0.08 0.00 0.50 0.00 0.00 46.19 47.31 2dj3 s LEU 60 CO 0.93 -0.17 0.10 -0.69 -1.32 0.00 0.00 176.35 175.21 2dj3 s VAL 61 N 1.37 0.05 -0.63 1.68 1.01 -1.14 -4.74 120.40 118.00 2dj3 s VAL 61 Ca -0.08 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.08 2dj3 s VAL 61 Cb -0.11 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 2dj3 s VAL 61 CO -0.08 -0.50 1.63 -0.63 0.00 0.00 0.00 175.10 175.52 2dj3 s ILE 62 N 2.06 3.52 0.53 2.22 1.01 -1.26 -3.07 121.20 126.21 2dj3 s ILE 62 Ca 0.05 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.09 2dj3 s ILE 62 Cb -0.16 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.05 2dj3 s ILE 62 CO -0.22 -1.20 0.30 0.00 0.00 0.00 0.00 174.94 173.82 2dj3 s ALA 63 N 7.62 4.32 0.11 9.38 0.00 -0.64 -2.62 121.76 139.93 2dj3 s ALA 63 Ca 0.56 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 2dj3 s ALA 63 Cb -0.11 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.48 2dj3 s ALA 63 CO 0.20 -0.33 0.30 -1.59 0.00 0.00 0.00 175.76 174.34 2dj3 s LYS 64 N -4.17 0.98 0.04 0.00 -2.85 0.23 -2.53 119.74 111.44 2dj3 s LYS 64 Ca 0.27 -0.85 -0.15 0.00 -1.00 0.00 0.00 55.97 54.24 2dj3 s LYS 64 Cb -0.01 0.41 0.03 0.00 -2.06 0.00 0.00 37.83 36.19 2dj3 s LYS 64 CO 0.17 -0.36 0.34 1.41 0.10 0.00 0.00 175.35 177.01 2dj3 s MET 65 N -3.84 0.83 -0.92 1.78 1.75 -1.08 -0.22 119.30 117.59 2dj3 s MET 65 Ca 0.05 -0.42 -0.15 0.00 -1.25 0.00 0.00 55.69 53.92 2dj3 s MET 65 Cb 0.03 0.36 0.19 0.00 2.84 0.00 0.00 34.83 38.26 2dj3 s MET 65 CO -0.11 -0.27 0.98 -0.51 -0.65 0.00 0.00 175.02 174.46 2dj3 s ASP 66 N -1.95 6.80 0.62 1.11 1.11 -1.26 -2.30 116.67 120.80 2dj3 s ASP 66 Ca -0.06 -2.60 0.29 0.00 0.18 0.00 0.00 52.55 50.36 2dj3 s ASP 66 Cb -0.01 -2.29 1.57 0.00 1.07 0.00 0.00 42.92 43.25 2dj3 s ASP 66 CO -0.02 -0.72 1.93 0.00 1.18 0.00 0.00 175.17 177.54 2dj3 h ALA 67 N 7.97 1.74 -0.15 5.23 0.00 -1.74 0.25 119.26 132.55 2dj3 h ALA 67 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2dj3 h ALA 67 Cb 1.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2dj3 h ALA 67 CO 0.94 -0.49 -0.16 1.79 0.00 0.00 0.00 179.25 181.32 2dj3 h THR 68 N 0.00 1.20 0.00 0.00 1.35 -1.89 -3.30 112.91 110.27 2dj3 h THR 68 Ca 0.10 -0.89 -0.40 0.00 -0.55 0.00 0.00 66.41 64.68 2dj3 h THR 68 Cb 0.86 1.27 -0.06 0.00 -1.73 0.00 0.00 68.15 68.48 2dj3 h THR 68 CO -0.00 0.27 -2.40 0.00 -0.25 0.00 0.00 175.52 173.14 2dj3 n ALA 69 N -2.49 1.41 -2.68 6.62 0.00 0.63 -4.93 120.51 119.07 2dj3 n ALA 69 Ca -0.01 -1.03 -0.39 0.00 0.00 0.00 0.00 53.44 52.02 2dj3 n ALA 69 Cb 0.30 0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 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 -6.82 6.57 -0.31 0.00 0.01 0.13 -5.04 114.94 109.48 2dj3 s ASN 70 Ca -0.34 0.68 -0.25 0.00 -0.71 0.00 0.00 52.86 52.24 2dj3 s ASN 70 Cb 0.11 -2.28 0.01 0.00 0.41 0.00 0.00 41.25 39.50 2dj3 s ASN 70 CO 0.50 -0.11 0.86 -1.81 -1.51 0.00 0.00 177.10 175.04 2dj3 s ASP 71 N 0.98 6.73 -0.66 -1.22 1.01 -1.26 -4.25 116.67 118.00 2dj3 s ASP 71 Ca 0.23 0.76 -0.26 0.00 0.71 0.00 0.00 52.55 53.99 2dj3 s ASP 71 Cb -0.15 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2dj3 s ASP 71 CO 0.09 -0.69 2.00 -0.63 0.21 0.00 0.00 175.17 176.16 2dj3 s ILE 72 N 3.14 3.30 0.30 0.77 1.01 -1.26 -4.82 121.20 123.63 2dj3 s ILE 72 Ca 0.36 0.04 0.05 0.00 0.00 0.00 0.00 60.65 61.09 2dj3 s ILE 72 Cb -0.14 -3.75 0.29 0.00 0.01 0.00 0.00 42.46 38.87 2dj3 s ILE 72 CO 0.13 -0.72 1.77 0.71 0.00 0.00 0.00 174.94 176.83 2dj3 h THR 73 N 7.14 0.71 -2.03 2.92 1.35 -1.96 -3.42 112.91 117.62 2dj3 h THR 73 Ca -0.17 -0.25 -0.21 0.00 -0.55 0.00 0.00 66.41 65.23 2dj3 h THR 73 Cb 1.14 -0.10 0.12 0.00 -1.73 0.00 0.00 68.15 67.58 2dj3 h THR 73 CO 1.20 0.14 -0.15 0.59 -0.25 0.00 0.00 175.52 177.04 2dj3 n ASN 74 N -4.79 -3.15 0.00 5.36 3.02 -1.26 -4.99 115.26 109.45 2dj3 n ASN 74 Ca 0.22 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2dj3 n ASN 74 Cb 0.55 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 2dj3 n ASN 74 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2dj3 n ASP 75 N -1.65 3.06 0.09 6.41 8.00 -1.26 -4.76 116.55 126.44 2dj3 n ASP 75 Ca 0.07 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.54 2dj3 n ASP 75 Cb 0.34 0.33 0.17 0.00 -0.02 0.00 0.00 41.12 41.94 2dj3 n ASP 75 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 2dj3 h GLN 76 N 0.00 0.22 -6.03 -1.24 3.07 -1.94 -3.40 115.11 105.79 2dj3 h GLN 76 Ca 0.00 -0.13 -0.60 0.00 0.09 0.00 0.00 58.65 58.01 2dj3 h GLN 76 Cb 0.56 0.01 -0.11 0.00 0.08 0.00 0.00 27.48 28.02 2dj3 h GLN 76 CO 0.00 0.68 0.58 0.71 0.09 0.00 0.00 178.83 180.89 2dj3 s TYR 77 N -3.93 2.86 -0.04 0.06 1.51 -1.26 -4.87 117.35 111.67 2dj3 s TYR 77 Ca -0.04 0.21 0.07 0.00 -1.01 0.00 0.00 57.07 56.29 2dj3 s TYR 77 Cb 0.13 -4.01 -0.02 0.00 -0.11 0.00 0.00 41.96 37.95 2dj3 s TYR 77 CO 0.78 -1.22 -0.25 0.15 -1.11 0.00 0.00 175.55 173.91 2dj3 s LYS 78 N 3.85 2.34 -0.48 -0.62 -0.14 -1.26 -4.93 119.74 118.50 2dj3 s LYS 78 Ca 0.34 -0.91 -0.01 0.00 -1.36 0.00 0.00 55.97 54.03 2dj3 s LYS 78 Cb -0.11 -2.12 0.13 0.00 -1.68 0.00 0.00 37.83 34.05 2dj3 s LYS 78 CO 0.23 0.48 0.26 0.08 -0.76 0.00 0.00 175.35 175.64 2dj3 s VAL 79 N -0.40 3.23 -0.12 3.17 1.01 -1.26 -4.91 120.40 121.12 2dj3 s VAL 79 Ca 0.04 -2.48 -0.07 0.00 0.00 0.00 0.00 61.98 59.47 2dj3 s VAL 79 Cb -0.12 -3.20 -0.26 0.00 0.00 0.00 0.00 36.38 32.80 2dj3 s VAL 79 CO 0.01 -0.75 0.38 -0.62 0.00 0.00 0.00 175.10 174.12 2dj3 n GLU 80 N 4.08 0.76 -3.77 2.72 1.02 -1.26 -4.96 120.64 119.24 2dj3 n GLU 80 Ca 0.02 0.27 -0.13 0.00 -0.02 0.00 0.00 57.16 57.30 2dj3 n GLU 80 Cb 0.39 -1.71 -0.12 0.00 -0.02 0.00 0.00 31.44 29.98 2dj3 n GLU 80 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dj3 s GLY 81 N -5.56 -0.20 0.13 0.62 0.00 -1.26 -5.16 107.32 95.90 2dj3 s GLY 81 Ca -0.22 0.83 -0.01 0.00 0.00 0.00 0.00 44.72 45.31 2dj3 s GLY 81 CO 0.77 0.79 0.32 -1.36 0.00 0.00 0.00 173.10 173.62 2dj3 s PHE 82 N 0.38 3.49 0.94 1.90 0.40 -1.26 -4.06 117.98 119.77 2dj3 s PHE 82 Ca -0.02 0.35 -0.12 0.00 -0.60 0.00 0.00 56.93 56.54 2dj3 s PHE 82 Cb -0.04 -1.85 0.15 0.00 0.51 0.00 0.00 43.02 41.80 2dj3 s PHE 82 CO -0.02 0.48 1.09 -1.25 0.70 0.00 0.00 175.22 176.22 2dj3 s PRO 83 N -2.85 0.92 -0.21 0.24 0.04 -1.26 -4.73 135.00 127.15 2dj3 s PRO 83 Ca 0.38 0.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.08 2dj3 s PRO 83 Cb -0.12 -1.78 0.10 0.00 0.04 0.00 0.00 34.50 32.74 2dj3 s PRO 83 CO 0.27 -2.44 0.22 0.99 0.04 0.00 0.00 177.00 176.08 2dj3 s THR 84 N -2.95 -0.31 -0.08 1.26 2.01 -0.96 -5.01 115.64 109.60 2dj3 s THR 84 Ca 0.64 -0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.42 2dj3 s THR 84 Cb -0.18 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 2dj3 s THR 84 CO 0.57 -0.25 0.12 -0.63 -0.69 0.00 0.00 174.62 173.74 2dj3 s ILE 85 N 2.31 5.26 -0.05 1.82 1.01 -1.26 0.97 121.20 131.26 2dj3 s ILE 85 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.72 2dj3 s ILE 85 Cb -0.16 -3.32 0.03 0.00 0.01 0.00 0.00 42.46 39.02 2dj3 s ILE 85 CO -0.15 0.54 0.08 -0.31 0.00 0.00 0.00 174.94 175.11 2dj3 s TYR 86 N -1.08 -0.01 -0.36 3.97 2.02 0.13 -3.04 117.35 118.99 2dj3 s TYR 86 Ca 0.18 0.34 -0.18 0.00 -0.37 0.00 0.00 57.07 57.03 2dj3 s TYR 86 Cb -0.12 -0.38 -0.00 0.00 -0.40 0.00 0.00 41.96 41.06 2dj3 s TYR 86 CO 0.07 -0.19 0.53 0.12 -1.57 0.00 0.00 175.55 174.51 2dj3 s PHE 87 N 2.00 3.17 -0.60 2.71 2.19 -0.61 -0.50 117.98 126.34 2dj3 s PHE 87 Ca 0.02 0.17 -0.13 0.00 0.33 0.00 0.00 56.93 57.32 2dj3 s PHE 87 Cb -0.12 -2.96 0.15 0.00 -1.31 0.00 0.00 43.02 38.78 2dj3 s PHE 87 CO -0.04 -0.57 0.53 0.00 1.83 0.00 0.00 175.22 176.98 2dj3 s ALA 88 N 2.43 3.70 -0.02 11.12 0.00 -0.74 -2.98 121.76 135.28 2dj3 s ALA 88 Ca 0.19 -2.77 -0.30 0.00 0.00 0.00 0.00 51.96 49.08 2dj3 s ALA 88 Cb -0.15 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 2dj3 s ALA 88 CO 0.14 -2.07 1.46 -1.25 0.00 0.00 0.00 175.76 174.04 2dj3 s PRO 89 N 1.11 4.25 -0.52 0.00 0.04 -1.26 -1.89 135.00 136.72 2dj3 s PRO 89 Ca 0.08 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 2dj3 s PRO 89 Cb -0.24 -3.67 -0.11 0.00 0.04 0.00 0.00 34.50 30.53 2dj3 s PRO 89 CO -0.01 -0.65 2.39 -1.13 0.04 0.00 0.00 177.00 177.64 2dj3 n SER 90 N 5.82 1.98 0.00 6.66 3.41 -1.26 -1.58 113.62 128.65 2dj3 n SER 90 Ca 0.14 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2dj3 n SER 90 Cb 0.43 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 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 6.22 3.45 1.97 5.00 0.00 -1.26 -4.88 105.19 115.68 2dj3 n GLY 91 Ca 0.43 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 2dj3 n GLY 91 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dj3 n ASP 92 N 0.00 4.93 -0.33 1.61 2.03 -0.61 -4.67 116.55 119.51 2dj3 n ASP 92 Ca 0.00 -3.74 0.02 0.00 0.52 0.00 0.00 54.79 51.58 2dj3 n ASP 92 Cb 0.00 -0.76 0.19 0.00 -0.72 0.00 0.00 41.12 39.83 2dj3 n ASP 92 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2dj3 h LYS 93 N 1.52 1.13 -1.34 -0.67 1.57 -1.73 -2.13 116.57 114.91 2dj3 h LYS 93 Ca 0.49 -0.07 0.39 0.00 -1.87 0.00 0.00 60.65 59.59 2dj3 h LYS 93 Cb 1.68 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 33.68 2dj3 h LYS 93 CO 1.04 0.75 1.20 1.63 -0.57 0.00 0.00 179.45 183.50 2dj3 n LYS 94 N -4.45 0.01 -3.84 3.15 4.76 -1.26 -2.81 118.16 113.71 2dj3 n LYS 94 Ca 0.13 0.96 -0.34 0.00 -2.87 0.00 0.00 58.31 56.19 2dj3 n LYS 94 Cb 0.12 -2.30 -0.12 0.00 -1.84 0.00 0.00 35.03 30.89 2dj3 n LYS 94 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2dj3 s ASN 95 N -3.62 4.98 0.57 4.39 0.01 -0.80 -4.89 114.94 115.58 2dj3 s ASN 95 Ca -0.03 -2.47 -0.18 0.00 -0.71 0.00 0.00 52.86 49.46 2dj3 s ASN 95 Cb 0.18 -1.76 -0.04 0.00 0.41 0.00 0.00 41.25 40.03 2dj3 s ASN 95 CO 0.60 -0.41 1.12 -2.16 -1.51 0.00 0.00 177.10 174.75 2dj3 s PRO 96 N 0.49 3.22 -0.30 -0.60 0.04 -1.12 -4.82 135.00 131.90 2dj3 s PRO 96 Ca 0.13 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.76 2dj3 s PRO 96 Cb -0.22 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.41 2dj3 s PRO 96 CO -0.04 -0.94 -0.02 0.42 0.04 0.00 0.00 177.00 176.46 2dj3 s ILE 97 N -1.91 2.18 -0.07 0.56 1.01 -1.16 -4.96 121.20 116.85 2dj3 s ILE 97 Ca 0.71 -2.02 -0.27 0.00 0.00 0.00 0.00 60.65 59.08 2dj3 s ILE 97 Cb -0.23 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 2dj3 s ILE 97 CO 0.30 -0.36 0.87 -0.75 0.00 0.00 0.00 174.94 175.00 2dj3 s LYS 98 N 1.01 4.45 -0.43 2.79 2.20 -1.26 -1.58 119.74 126.92 2dj3 s LYS 98 Ca 0.03 1.18 -0.27 0.00 -0.36 0.00 0.00 55.97 56.55 2dj3 s LYS 98 Cb -0.19 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.57 2dj3 s LYS 98 CO -0.07 -0.11 2.33 0.12 -0.36 0.00 0.00 175.35 177.25 2dj3 s PHE 99 N 1.33 1.14 -0.50 4.03 5.36 -1.17 -4.90 117.98 123.26 2dj3 s PHE 99 Ca 0.44 1.28 0.03 0.00 -0.96 0.00 0.00 56.93 57.72 2dj3 s PHE 99 Cb -0.19 -3.70 0.13 0.00 -0.34 0.00 0.00 43.02 38.93 2dj3 s PHE 99 CO 0.20 -2.88 0.24 -1.21 -1.46 0.00 0.00 175.22 170.11 2dj3 s GLU 100 N 7.72 1.96 0.00 10.12 0.41 -1.26 -4.84 118.70 132.81 2dj3 s GLU 100 Ca 0.96 -2.48 0.00 0.00 -0.41 0.00 0.00 54.97 53.05 2dj3 s GLU 100 Cb -0.21 -3.35 0.00 0.00 -1.78 0.00 0.00 34.13 28.79 2dj3 s GLU 100 CO 0.28 -1.09 0.00 0.41 -0.49 0.00 0.00 175.26 174.37 2dj3 n GLY 101 N 3.37 0.00 0.00 -1.39 0.00 -1.26 -5.07 105.19 100.84 2dj3 n GLY 101 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 2.56 3.54 3.10 -0.02 0.00 -1.26 -5.05 105.19 108.07 2dj3 n GLY 102 Ca 0.00 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 4.76 -0.87 1.61 0.01 -1.26 -5.06 114.94 114.13 2dj3 s ASN 103 Ca 0.00 -1.59 -0.23 0.00 -0.71 0.00 0.00 52.86 50.34 2dj3 s ASN 103 Cb 0.00 -1.65 0.07 0.00 0.41 0.00 0.00 41.25 40.08 2dj3 s ASN 103 CO 0.00 -0.29 1.24 -0.60 -1.51 0.00 0.00 177.10 175.93 2dj3 s ARG 104 N 1.12 3.42 0.27 -0.60 3.52 -1.26 -4.58 118.95 120.84 2dj3 s ARG 104 Ca -0.02 -1.06 0.02 0.00 -0.13 0.00 0.00 55.73 54.55 2dj3 s ARG 104 Cb -0.20 -4.79 -0.03 0.00 -1.56 0.00 0.00 34.95 28.37 2dj3 s ARG 104 CO -0.04 -2.01 0.22 0.16 -0.81 0.00 0.00 175.30 172.83 2dj3 s ASP 105 N 4.13 0.87 0.24 -2.12 -4.77 -1.26 -4.98 116.67 108.77 2dj3 s ASP 105 Ca 0.36 -1.55 0.23 0.00 -3.30 0.00 0.00 52.55 48.29 2dj3 s ASP 105 Cb -0.06 0.48 0.95 0.00 -1.09 0.00 0.00 42.92 43.20 2dj3 s ASP 105 CO -0.01 -0.97 1.70 -0.11 0.70 0.00 0.00 175.17 176.48 2dj3 n LEU 106 N -0.45 0.63 -0.00 2.11 7.94 -1.26 -0.41 117.00 125.56 2dj3 n LEU 106 Ca 0.04 0.65 -0.20 0.00 -1.11 0.00 0.00 56.01 55.39 2dj3 n LEU 106 Cb 0.64 -0.56 -0.14 0.00 0.53 0.00 0.00 43.42 43.89 2dj3 n LEU 106 CO 0.32 -0.52 -0.80 -0.62 -1.11 0.00 0.00 177.39 174.66 2dj3 n GLU 107 N -2.19 0.75 0.03 1.96 1.02 -1.26 -3.76 120.64 117.19 2dj3 n GLU 107 Ca 0.02 0.26 -0.20 0.00 -0.02 0.00 0.00 57.16 57.22 2dj3 n GLU 107 Cb 0.24 -1.71 -0.14 0.00 -0.02 0.00 0.00 31.44 29.80 2dj3 n GLU 107 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dj3 h HIS 108 N 0.06 0.49 -0.60 -0.32 3.86 -1.77 -3.22 115.15 113.66 2dj3 h HIS 108 Ca -0.42 -0.36 0.10 0.00 -1.16 0.00 0.00 60.37 58.53 2dj3 h HIS 108 Cb 2.03 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 30.40 2dj3 h HIS 108 CO 0.07 1.35 0.20 -0.07 0.86 0.00 0.00 177.93 180.34 2dj3 h LEU 109 N -0.40 0.15 -1.42 2.43 3.38 -0.95 0.12 115.31 118.62 2dj3 h LEU 109 Ca -0.17 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2dj3 h LEU 109 Cb 1.63 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 2dj3 h LEU 109 CO 0.12 0.09 0.06 0.77 0.09 0.00 0.00 178.44 179.57 2dj3 h SER 110 N 0.36 0.41 0.84 -0.43 4.64 -1.69 -0.57 113.55 117.10 2dj3 h SER 110 Ca 0.31 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2dj3 h SER 110 Cb 0.41 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2dj3 h SER 110 CO -0.34 0.42 0.00 0.29 -0.87 0.00 0.00 176.83 176.34 2dj3 n LYS 111 N -4.36 0.18 -0.07 4.77 5.02 -0.03 -1.91 118.16 121.76 2dj3 n LYS 111 Ca 0.01 0.35 -0.10 0.00 -2.02 0.00 0.00 58.31 56.56 2dj3 n LYS 111 Cb 0.18 -1.81 -0.15 0.00 -0.02 0.00 0.00 35.03 33.23 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 -2.13 0.41 -0.05 2.13 7.35 -0.31 -4.02 117.46 120.84 2dj3 n PHE 112 Ca 0.03 0.15 -0.13 0.00 -0.76 0.00 0.00 57.45 56.74 2dj3 n PHE 112 Cb 0.26 -1.08 -0.12 0.00 0.35 0.00 0.00 39.48 38.90 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 0.00 1.59 -0.91 -2.13 2.04 -1.13 -2.40 117.51 114.58 2dj3 h ILE 113 Ca -0.44 -1.92 0.17 0.00 1.00 0.00 0.00 64.86 63.67 2dj3 h ILE 113 Cb 2.15 2.87 -0.07 0.00 -0.74 0.00 0.00 36.82 41.03 2dj3 h ILE 113 CO 0.05 0.49 0.59 -0.78 0.00 0.00 0.00 178.15 178.49 2dj3 h ASP 114 N -0.85 0.59 0.26 1.72 3.58 -1.61 1.86 116.42 121.97 2dj3 h ASP 114 Ca -0.00 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2dj3 h ASP 114 Cb 0.81 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2dj3 h ASP 114 CO 0.00 0.27 -0.12 -0.33 -2.88 0.00 0.00 179.24 176.17 2dj3 h GLU 115 N 0.60 -0.33 -0.03 0.28 3.07 -1.70 -3.21 114.58 113.27 2dj3 h GLU 115 Ca 0.47 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 2dj3 h GLU 115 Cb 0.89 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 2dj3 h GLU 115 CO -0.22 -0.04 0.00 0.72 -1.40 0.00 0.00 179.01 178.07 2dj3 n HIS 116 N -5.00 0.04 -0.52 4.33 8.25 -0.90 -4.77 115.22 116.65 2dj3 n HIS 116 Ca -0.07 -0.02 -0.16 0.00 -0.26 0.00 0.00 57.72 57.21 2dj3 n HIS 116 Cb 0.23 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.44 -2.22 -0.60 -1.41 0.00 0.63 -4.83 120.51 111.64 2dj3 n ALA 117 Ca 0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 53.44 52.59 2dj3 n ALA 117 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 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 -4.07 2.20 -3.97 0.00 5.66 -1.26 -4.73 114.28 108.11 2dj3 n THR 118 Ca 0.08 -0.73 -0.26 0.00 -3.05 0.00 0.00 64.05 60.09 2dj3 n THR 118 Cb 0.32 -1.57 -0.02 0.00 -1.55 0.00 0.00 70.33 67.51 2dj3 n THR 118 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2dj3 n LYS 119 N 1.59 -3.39 -0.01 1.09 0.00 -1.26 -4.89 118.16 111.28 2dj3 n LYS 119 Ca 0.08 0.41 -0.12 0.00 0.00 0.00 0.00 58.31 58.69 2dj3 n LYS 119 Cb 0.57 -4.62 -0.09 0.00 0.00 0.00 0.00 35.03 30.89 2dj3 n LYS 119 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2dj3 h ARG 120 N -1.82 -0.08 -6.56 1.64 9.65 -1.87 -3.47 114.38 111.88 2dj3 h ARG 120 Ca -0.63 0.01 -0.43 0.00 -1.10 0.00 0.00 59.98 57.83 2dj3 h ARG 120 Cb 1.38 0.02 0.03 0.00 -1.39 0.00 0.00 29.97 30.00 2dj3 h ARG 120 CO 0.64 0.52 -0.19 -1.54 2.80 0.00 0.00 179.97 182.20 2dj3 s SER 121 N -5.78 5.64 -0.72 -3.80 1.04 -1.26 -5.00 113.70 103.83 2dj3 s SER 121 Ca -0.15 -0.16 -0.26 0.00 0.48 0.00 0.00 55.95 55.87 2dj3 s SER 121 Cb -0.00 -0.96 -0.03 0.00 0.10 0.00 0.00 66.02 65.12 2dj3 s SER 121 CO 0.56 -0.79 1.92 0.00 0.98 0.00 0.00 173.24 175.91 2dj3 s ARG 122 N -4.45 2.56 -0.26 4.02 1.70 -1.26 -4.89 118.95 116.37 2dj3 s ARG 122 Ca 0.53 0.31 -0.22 0.00 -0.47 0.00 0.00 55.73 55.87 2dj3 s ARG 122 Cb -0.10 -4.64 0.07 0.00 -0.57 0.00 0.00 34.95 29.71 2dj3 s ARG 122 CO 0.35 -3.01 0.69 0.99 -1.08 0.00 0.00 175.30 173.23 2dj3 s THR 123 N 9.64 -0.00 0.48 4.99 2.01 -1.26 -5.18 115.64 126.32 2dj3 s THR 123 Ca 0.70 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.76 2dj3 s THR 123 Cb -0.11 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.44 2dj3 s THR 123 CO 0.13 0.00 0.36 -1.59 -0.69 0.00 0.00 174.62 172.83 2dj3 s LYS 124 N 0.60 2.33 -0.58 4.92 0.00 -1.26 -4.97 119.74 120.79 2dj3 s LYS 124 Ca -0.02 -1.83 0.03 0.00 0.00 0.00 0.00 55.97 54.15 2dj3 s LYS 124 Cb -0.05 -2.17 0.14 0.00 0.00 0.00 0.00 37.83 35.76 2dj3 s LYS 124 CO -0.03 -0.39 0.34 -1.21 0.00 0.00 0.00 175.35 174.06 2dj3 s GLU 125 N -4.17 2.19 -0.73 1.78 2.02 -1.26 -5.02 118.70 113.52 2dj3 s GLU 125 Ca 0.40 -2.74 -0.01 0.00 0.02 0.00 0.00 54.97 52.64 2dj3 s GLU 125 Cb -0.01 -3.43 0.18 0.00 0.10 0.00 0.00 34.13 30.97 2dj3 s GLU 125 CO 0.24 -1.15 0.57 -2.00 0.02 0.00 0.00 175.26 172.93 2dj3 s GLU 126 N -0.46 2.79 -0.09 1.61 2.56 -1.26 -5.05 118.70 118.79 2dj3 s GLU 126 Ca 0.18 -2.93 0.03 0.00 0.00 0.00 0.00 54.97 52.25 2dj3 s GLU 126 Cb -0.21 -3.75 0.00 0.00 2.00 0.00 0.00 34.13 32.17 2dj3 s GLU 126 CO -0.03 -1.22 -0.20 -0.51 -0.56 0.00 0.00 175.26 172.73 2dj3 s LEU 127 N -0.76 1.96 -0.67 2.70 1.02 -1.26 -5.02 118.68 116.65 2dj3 s LEU 127 Ca 0.22 -0.49 -0.02 0.00 0.02 0.00 0.00 54.13 53.86 2dj3 s LEU 127 Cb -0.14 -1.25 0.39 0.00 0.02 0.00 0.00 46.19 45.22 2dj3 s LEU 127 CO -0.08 0.11 2.06 -0.24 0.02 0.00 0.00 176.35 178.22 2dj3 n SER 128 N 3.67 7.52 -1.69 2.29 2.88 -1.26 -4.96 113.62 122.07 2dj3 n SER 128 Ca -0.20 -3.71 0.00 0.00 -1.33 0.00 0.00 58.87 53.63 2dj3 n SER 128 Cb 0.52 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 2dj3 n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj3 n GLY 129 N -0.66 0.57 3.73 0.46 0.00 -1.26 -5.08 105.19 102.95 2dj3 n GLY 129 Ca 0.57 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.31 1.46 -0.15 1.61 0.04 -1.26 -5.03 135.00 131.36 2dj3 s PRO 130 Ca 0.00 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 61.81 2dj3 s PRO 130 Cb 0.00 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 2dj3 s PRO 130 CO 0.00 -2.12 -0.27 0.45 0.04 0.00 0.00 177.00 175.10 2dj3 n SER 131 N -3.81 1.64 -4.41 6.66 2.88 -1.26 -5.03 113.62 110.29 2dj3 n SER 131 Ca 0.07 0.27 -0.31 0.00 -1.33 0.00 0.00 58.87 57.58 2dj3 n SER 131 Cb 0.55 -0.63 0.20 0.00 -0.75 0.00 0.00 64.21 63.57 2dj3 n SER 131 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dj3 n SER 132 N -4.11 -1.82 0.00 -3.46 2.88 -1.26 -5.23 113.62 100.62 2dj3 n SER 132 Ca -0.23 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 2dj3 n SER 132 Cb 0.56 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 2dj3 n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42