#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 -1.41 -3.61 1.61 2.88 -1.26 -5.03 113.62 106.79 2dj3 n SER 2 Ca 0.00 0.21 -0.19 0.00 -1.33 0.00 0.00 58.87 57.56 2dj3 n SER 2 Cb 0.00 -1.25 -0.15 0.00 -0.75 0.00 0.00 64.21 62.06 2dj3 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dj3 s SER 3 N -2.21 1.21 0.00 -3.46 1.04 -1.26 -5.09 113.70 103.93 2dj3 s SER 3 Ca 0.61 0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2dj3 s SER 3 Cb -0.21 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2dj3 s SER 3 CO 0.64 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.19 2dj3 n GLY 4 N 5.31 1.99 3.75 7.32 0.00 -1.26 -5.10 105.19 117.21 2dj3 n GLY 4 Ca -0.05 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2dj3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dj3 s SER 5 N 1.00 7.24 0.14 1.61 1.04 -1.26 -4.95 113.70 118.51 2dj3 s SER 5 Ca 0.00 2.24 -0.32 0.00 0.48 0.00 0.00 55.95 58.35 2dj3 s SER 5 Cb 0.00 -2.62 -0.09 0.00 0.10 0.00 0.00 66.02 63.41 2dj3 s SER 5 CO 0.00 -0.19 1.55 -1.28 0.98 0.00 0.00 173.24 174.30 2dj3 h SER 6 N 4.19 -1.90 -2.20 7.02 0.87 -1.99 -3.40 113.55 116.15 2dj3 h SER 6 Ca -0.46 0.26 -0.59 0.00 -1.23 0.00 0.00 61.79 59.76 2dj3 h SER 6 Cb 1.21 0.79 0.05 0.00 -0.44 0.00 0.00 62.40 64.02 2dj3 h SER 6 CO 0.69 -0.37 0.80 0.61 -0.53 0.00 0.00 176.83 178.03 2dj3 n GLY 7 N -1.36 1.11 0.20 5.77 0.00 -1.26 -4.90 105.19 104.75 2dj3 n GLY 7 Ca -0.02 0.68 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 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 6.16 0.64 -6.93 1.61 0.13 -1.88 -3.44 132.00 128.29 2dj3 h PRO 8 Ca -0.45 -0.34 -0.53 0.00 -0.87 0.00 0.00 66.00 63.80 2dj3 h PRO 8 Cb 1.26 0.01 0.09 0.00 0.13 0.00 0.00 31.00 32.50 2dj3 h PRO 8 CO 0.89 0.94 0.73 0.08 -0.23 0.00 0.00 178.00 180.41 2dj3 s VAL 9 N -4.34 2.26 -0.13 1.56 1.01 -1.26 -4.76 120.40 114.74 2dj3 s VAL 9 Ca -0.13 0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 2dj3 s VAL 9 Cb 0.08 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2dj3 s VAL 9 CO 0.82 0.06 0.32 -0.75 0.00 0.00 0.00 175.10 175.55 2dj3 s LYS 10 N -2.03 4.18 0.07 2.72 2.47 -0.76 -4.94 119.74 121.45 2dj3 s LYS 10 Ca 0.52 0.17 -0.25 0.00 -1.56 0.00 0.00 55.97 54.85 2dj3 s LYS 10 Cb -0.44 -3.39 -0.06 0.00 -1.46 0.00 0.00 37.83 32.48 2dj3 s LYS 10 CO 0.59 0.31 0.76 0.08 0.16 0.00 0.00 175.35 177.26 2dj3 s VAL 11 N 0.22 4.65 -0.03 4.02 1.01 -1.26 0.09 120.40 129.10 2dj3 s VAL 11 Ca 0.19 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.81 2dj3 s VAL 11 Cb -0.14 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2dj3 s VAL 11 CO 0.06 0.41 -0.09 -0.69 0.00 0.00 0.00 175.10 174.78 2dj3 s VAL 12 N -0.33 0.83 0.24 2.92 1.01 0.17 -4.87 120.40 120.37 2dj3 s VAL 12 Ca 0.37 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2dj3 s VAL 12 Cb -0.21 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.44 2dj3 s VAL 12 CO 0.23 0.26 0.14 1.33 0.00 0.00 0.00 175.10 177.07 2dj3 n VAL 13 N 3.36 0.00 0.24 2.92 0.24 -1.26 -4.13 118.33 119.70 2dj3 n VAL 13 Ca -0.19 -0.99 0.11 0.00 -2.04 0.00 0.00 64.34 61.23 2dj3 n VAL 13 Cb 0.54 -0.18 0.57 0.00 -1.47 0.00 0.00 33.84 33.30 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 0.35 0.00 1.41 7.63 0.00 -1.93 0.72 103.07 111.26 2dj3 h GLY 14 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2dj3 h GLY 14 CO 0.26 0.00 -0.53 0.07 0.00 0.00 0.00 176.54 176.34 2dj3 h LYS 15 N 0.00 0.00 -0.04 4.80 5.09 -1.97 -3.32 116.57 121.13 2dj3 h LYS 15 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2dj3 h LYS 15 Cb 0.59 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.92 2dj3 h LYS 15 CO 0.02 0.00 0.00 0.25 -2.09 0.00 0.00 179.45 177.63 2dj3 n THR 16 N -2.59 0.59 0.16 0.07 -2.24 -0.94 -4.68 114.28 104.65 2dj3 n THR 16 Ca 0.03 -0.79 -0.07 0.00 -2.27 0.00 0.00 64.05 60.94 2dj3 n THR 16 Cb 0.50 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 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 0.39 -0.41 0.00 4.78 3.04 0.35 0.37 116.94 125.45 2dj3 h PHE 17 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2dj3 h PHE 17 Cb 0.35 0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.00 2dj3 h PHE 17 CO 0.03 -0.26 0.00 -0.25 -2.02 0.00 0.00 178.31 175.81 2dj3 n ASP 18 N -4.04 0.00 -0.12 0.41 9.92 -1.26 -0.61 116.55 120.85 2dj3 n ASP 18 Ca -0.06 0.25 -0.24 0.00 -0.53 0.00 0.00 54.79 54.21 2dj3 n ASP 18 Cb 0.17 -0.33 -0.11 0.00 -0.64 0.00 0.00 41.12 40.21 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 -1.33 1.23 -0.03 2.24 0.00 -1.18 -4.29 120.51 117.15 2dj3 n ALA 19 Ca 0.03 -1.02 -0.02 0.00 0.00 0.00 0.00 53.44 52.43 2dj3 n ALA 19 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.85 0.48 0.16 0.00 5.41 0.13 -3.70 119.36 118.00 2dj3 n ILE 20 Ca -0.48 0.39 0.08 0.00 1.00 0.00 0.00 62.75 63.74 2dj3 n ILE 20 Cb 0.92 -1.79 0.40 0.00 -0.71 0.00 0.00 39.64 38.47 2dj3 n ILE 20 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2dj3 n VAL 21 N -3.10 0.69 -1.75 1.39 0.31 0.22 0.15 118.33 116.24 2dj3 n VAL 21 Ca -0.04 0.74 -0.05 0.00 -0.01 0.00 0.00 64.34 64.99 2dj3 n VAL 21 Cb 0.14 -1.74 0.14 0.00 -0.91 0.00 0.00 33.84 31.47 2dj3 n VAL 21 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2dj3 n MET 22 N -2.09 2.33 -2.66 5.55 2.81 -0.63 -4.72 117.12 117.71 2dj3 n MET 22 Ca -0.01 -3.62 -0.43 0.00 -1.81 0.00 0.00 57.70 51.83 2dj3 n MET 22 Cb 0.26 -1.86 -0.02 0.00 -0.71 0.00 0.00 33.22 30.89 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 -3.35 6.64 0.00 7.83 1.01 0.12 -4.76 116.67 124.16 2dj3 s ASP 23 Ca 0.43 0.46 0.10 0.00 0.71 0.00 0.00 52.55 54.25 2dj3 s ASP 23 Cb 0.39 -2.53 0.61 0.00 1.01 0.00 0.00 42.92 42.40 2dj3 s ASP 23 CO -0.03 -1.16 1.05 -0.81 0.21 0.00 0.00 175.17 174.43 2dj3 n PRO 24 N 7.56 0.49 0.04 8.23 -0.04 -1.26 -2.75 135.00 147.27 2dj3 n PRO 24 Ca 0.11 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 2dj3 n PRO 24 Cb 0.49 -1.33 -0.14 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.31 -3.83 0.54 1.57 -1.90 -3.39 116.57 109.86 2dj3 h LYS 25 Ca 0.00 -0.54 -0.10 0.00 -1.87 0.00 0.00 60.65 58.15 2dj3 h LYS 25 Cb 0.00 0.20 -0.15 0.00 0.08 0.00 0.00 32.23 32.36 2dj3 h LYS 25 CO 0.00 1.26 -0.44 -1.59 -0.57 0.00 0.00 179.45 178.11 2dj3 s LYS 26 N -2.53 0.76 -0.32 3.15 -2.85 -1.11 -4.94 119.74 111.90 2dj3 s LYS 26 Ca -0.18 -0.92 -0.29 0.00 -1.00 0.00 0.00 55.97 53.57 2dj3 s LYS 26 Cb 0.05 0.30 0.01 0.00 -2.06 0.00 0.00 37.83 36.13 2dj3 s LYS 26 CO 0.80 -0.22 1.20 -0.51 0.10 0.00 0.00 175.35 176.72 2dj3 s ASP 27 N -2.67 6.78 -0.21 0.03 1.01 -1.04 -4.11 116.67 116.46 2dj3 s ASP 27 Ca 0.03 1.10 -0.07 0.00 0.71 0.00 0.00 52.55 54.32 2dj3 s ASP 27 Cb 0.04 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2dj3 s ASP 27 CO -0.09 -1.00 0.06 -0.69 0.21 0.00 0.00 175.17 173.65 2dj3 s VAL 28 N 4.07 4.53 -0.54 -1.27 1.01 -0.86 -3.45 120.40 123.89 2dj3 s VAL 28 Ca 0.51 -0.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.19 2dj3 s VAL 28 Cb -0.14 -3.07 0.07 0.00 0.00 0.00 0.00 36.38 33.24 2dj3 s VAL 28 CO 0.20 0.41 0.68 -0.22 0.00 0.00 0.00 175.10 176.17 2dj3 s LEU 29 N 0.90 5.05 -0.10 3.92 2.96 -1.19 -1.95 118.68 128.27 2dj3 s LEU 29 Ca 0.03 -1.07 -0.19 0.00 -0.22 0.00 0.00 54.13 52.68 2dj3 s LEU 29 Cb -0.14 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 2dj3 s LEU 29 CO 0.03 -1.00 0.52 -0.51 -1.32 0.00 0.00 176.35 174.06 2dj3 s ILE 30 N 2.76 5.16 -0.30 6.68 1.10 0.01 -1.54 121.20 135.05 2dj3 s ILE 30 Ca 0.15 1.04 0.03 0.00 -0.51 0.00 0.00 60.65 61.36 2dj3 s ILE 30 Cb -0.21 -3.86 0.08 0.00 0.15 0.00 0.00 42.46 38.63 2dj3 s ILE 30 CO 0.10 0.32 -0.01 -0.70 -2.11 0.00 0.00 174.94 172.54 2dj3 s GLU 31 N 0.60 1.72 -0.48 3.50 2.12 -0.86 0.16 118.70 125.46 2dj3 s GLU 31 Ca 0.28 -1.55 -0.28 0.00 0.36 0.00 0.00 54.97 53.77 2dj3 s GLU 31 Cb -0.16 -2.96 0.01 0.00 0.26 0.00 0.00 34.13 31.29 2dj3 s GLU 31 CO 0.12 -0.78 1.39 -0.06 -0.54 0.00 0.00 175.26 175.39 2dj3 s PHE 32 N 1.06 2.40 0.21 5.30 0.08 0.22 -2.71 117.98 124.53 2dj3 s PHE 32 Ca 0.02 0.60 0.07 0.00 0.12 0.00 0.00 56.93 57.74 2dj3 s PHE 32 Cb -0.19 -4.36 -0.04 0.00 -0.57 0.00 0.00 43.02 37.86 2dj3 s PHE 32 CO -0.08 -1.90 0.10 1.52 -0.10 0.00 0.00 175.22 174.76 2dj3 s TYR 33 N 5.59 2.99 -0.10 0.36 -0.85 -0.95 -2.31 117.35 122.08 2dj3 s TYR 33 Ca 0.56 -0.11 0.04 0.00 -0.52 0.00 0.00 57.07 57.05 2dj3 s TYR 33 Cb -0.12 -1.40 0.00 0.00 0.38 0.00 0.00 41.96 40.83 2dj3 s TYR 33 CO 0.30 0.54 -0.23 0.00 -1.52 0.00 0.00 175.55 174.63 2dj3 s ALA 34 N -1.95 2.08 -2.00 9.51 0.00 -1.26 -4.13 121.76 124.02 2dj3 s ALA 34 Ca 0.31 -0.92 0.14 0.00 0.00 0.00 0.00 51.96 51.49 2dj3 s ALA 34 Cb -0.09 -0.79 0.86 0.00 0.00 0.00 0.00 23.12 23.11 2dj3 s ALA 34 CO 0.22 0.27 1.28 -0.35 0.00 0.00 0.00 175.76 177.18 2dj3 n PRO 35 N 3.55 0.49 -0.09 0.00 -0.04 -1.26 -1.95 135.00 135.69 2dj3 n PRO 35 Ca -0.19 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.34 2dj3 n PRO 35 Cb 0.53 -1.46 0.10 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 -0.96 0.00 -4.72 0.54 4.27 -1.26 -5.01 117.44 110.30 2dj3 n TRP 36 Ca 0.11 -0.80 -0.33 0.00 -3.89 0.00 0.00 57.50 52.59 2dj3 n TRP 36 Cb 0.05 -0.12 -0.14 0.00 -1.36 0.00 0.00 31.31 29.74 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 6.80 0.88 1.76 0.00 0.00 -1.95 -2.90 103.07 107.65 2dj3 h GLY 38 Ca -0.27 -0.95 0.01 0.00 0.00 0.00 0.00 47.33 46.12 2dj3 h GLY 38 CO 0.56 0.86 0.11 0.45 0.00 0.00 0.00 176.54 178.52 2dj3 h HIS 39 N 0.58 0.00 0.07 5.60 3.86 -1.95 0.31 115.15 123.61 2dj3 h HIS 39 Ca 0.04 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.00 2dj3 h HIS 39 Cb 0.99 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.45 2dj3 h HIS 39 CO 0.07 0.00 -1.12 0.00 0.86 0.00 0.00 177.93 177.75 2dj3 h LYS 41 N 0.05 0.43 0.00 0.00 1.57 -0.94 0.89 116.57 118.57 2dj3 h LYS 41 Ca -0.08 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 2dj3 h LYS 41 Cb 1.85 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.10 2dj3 h LYS 41 CO 0.17 0.52 -0.33 -0.56 -0.57 0.00 0.00 179.45 178.68 2dj3 h GLN 42 N 0.25 0.00 0.00 3.15 3.07 -1.62 -2.91 115.11 117.05 2dj3 h GLN 42 Ca 0.08 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.60 2dj3 h GLN 42 Cb 0.29 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.82 2dj3 h GLN 42 CO 0.00 0.33 -1.40 1.25 0.09 0.00 0.00 178.83 179.10 2dj3 h LEU 43 N 0.00 0.00 -0.67 0.06 5.85 -1.31 -3.37 115.31 115.87 2dj3 h LEU 43 Ca -0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 2dj3 h LEU 43 Cb 0.70 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.64 2dj3 h LEU 43 CO 0.04 0.84 -0.36 -0.62 -0.34 0.00 0.00 178.44 178.00 2dj3 n GLU 44 N -3.07 -0.26 -0.05 1.25 1.02 0.31 0.87 120.64 120.71 2dj3 n GLU 44 Ca -0.10 1.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.96 2dj3 n GLU 44 Cb 0.95 -1.51 0.05 0.00 -0.02 0.00 0.00 31.44 30.91 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 0.72 -0.82 3.49 0.13 -1.75 -2.69 132.00 131.08 2dj3 h PRO 45 Ca 0.15 -0.38 0.03 0.00 -0.87 0.00 0.00 66.00 64.92 2dj3 h PRO 45 Cb 0.31 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.41 2dj3 h PRO 45 CO -0.64 0.99 0.54 0.82 -0.23 0.00 0.00 178.00 179.48 2dj3 h ILE 46 N 0.59 1.16 0.00 -3.56 2.04 0.32 -1.69 117.51 116.38 2dj3 h ILE 46 Ca 0.05 -0.36 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 2dj3 h ILE 46 Cb 0.95 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2dj3 h ILE 46 CO 0.09 0.19 -0.73 0.22 0.00 0.00 0.00 178.15 177.92 2dj3 h TYR 47 N 1.05 0.00 0.47 1.37 3.20 -0.29 -3.19 116.97 119.58 2dj3 h TYR 47 Ca 0.32 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 2dj3 h TYR 47 Cb -0.02 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2dj3 h TYR 47 CO -0.00 0.73 -0.41 1.15 -1.64 0.00 0.00 178.16 178.00 2dj3 h THR 48 N 0.00 0.00 -0.77 1.81 2.02 -0.97 -1.90 112.91 113.10 2dj3 h THR 48 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.26 2dj3 h THR 48 Cb 1.39 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 2dj3 h THR 48 CO 0.10 0.00 0.50 -1.28 0.37 0.00 0.00 175.52 175.21 2dj3 h SER 49 N -0.86 0.64 0.03 4.18 0.87 -1.64 0.82 113.55 117.59 2dj3 h SER 49 Ca -0.06 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2dj3 h SER 49 Cb 0.73 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2dj3 h SER 49 CO -0.02 0.39 -0.02 0.25 -0.53 0.00 0.00 176.83 176.91 2dj3 h LEU 50 N 0.72 0.00 0.14 2.23 5.85 -1.44 0.51 115.31 123.32 2dj3 h LEU 50 Ca 0.35 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.71 2dj3 h LEU 50 Cb 0.42 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2dj3 h LEU 50 CO -0.13 0.02 -1.95 1.23 -0.34 0.00 0.00 178.44 177.27 2dj3 h GLY 51 N 0.08 0.34 2.00 3.75 0.00 -0.09 -3.15 103.07 106.00 2dj3 h GLY 51 Ca -0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 47.33 46.35 2dj3 h GLY 51 CO 0.00 0.75 -0.57 0.07 0.00 0.00 0.00 176.54 176.80 2dj3 h LYS 52 N 0.08 0.00 0.06 4.80 2.10 -0.96 -0.75 116.57 121.90 2dj3 h LYS 52 Ca -0.41 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 57.97 2dj3 h LYS 52 Cb 2.05 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 33.40 2dj3 h LYS 52 CO 0.11 0.57 -1.12 1.57 -2.00 0.00 0.00 179.45 178.57 2dj3 h LYS 53 N 0.00 0.58 -0.02 0.07 2.10 -0.14 -3.21 116.57 115.96 2dj3 h LYS 53 Ca -0.01 -0.71 0.00 0.00 -2.00 0.00 0.00 60.65 57.94 2dj3 h LYS 53 Cb 1.21 0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.76 2dj3 h LYS 53 CO 0.07 1.30 -0.02 0.66 -2.00 0.00 0.00 179.45 179.46 2dj3 n TYR 54 N -3.78 0.00 0.32 0.07 4.02 -1.19 -4.04 117.16 112.56 2dj3 n TYR 54 Ca -0.11 0.00 0.21 0.00 -0.01 0.00 0.00 57.90 57.99 2dj3 n TYR 54 Cb 0.93 -0.01 1.11 0.00 -0.02 0.00 0.00 39.34 41.35 2dj3 n TYR 54 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 2dj3 h LYS 55 N 2.63 0.00 -0.93 -0.72 5.09 -1.13 -1.42 116.57 120.10 2dj3 h LYS 55 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 60.65 60.24 2dj3 h LYS 55 Cb 0.58 0.00 -0.29 0.00 0.10 0.00 0.00 32.23 32.62 2dj3 h LYS 55 CO 0.00 0.01 0.59 0.41 -2.09 0.00 0.00 179.45 178.36 2dj3 n GLY 56 N -1.04 4.69 4.01 0.07 0.00 -1.26 -4.97 105.19 106.70 2dj3 n GLY 56 Ca -0.03 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.35 2.69 -0.32 1.61 -0.44 -0.54 -5.07 119.66 114.25 2dj3 s GLN 57 Ca 0.56 -1.30 -0.21 0.00 -2.50 0.00 0.00 55.36 51.92 2dj3 s GLN 57 Cb 0.47 -2.72 -0.00 0.00 -1.64 0.00 0.00 33.01 29.12 2dj3 s GLN 57 CO 0.09 -0.43 0.66 0.15 0.50 0.00 0.00 175.29 176.26 2dj3 s LYS 58 N -4.45 3.85 -1.20 1.67 -0.14 -1.26 -4.24 119.74 113.97 2dj3 s LYS 58 Ca 0.57 0.29 -0.06 0.00 -1.36 0.00 0.00 55.97 55.40 2dj3 s LYS 58 Cb -0.09 -3.75 -0.02 0.00 -1.68 0.00 0.00 37.83 32.29 2dj3 s LYS 58 CO 0.35 -0.64 0.79 -0.25 -0.76 0.00 0.00 175.35 174.84 2dj3 n ASP 59 N 5.99 -3.37 -3.69 2.83 9.92 -1.26 -4.77 116.55 122.20 2dj3 n ASP 59 Ca -0.00 -0.83 -0.15 0.00 -0.53 0.00 0.00 54.79 53.28 2dj3 n ASP 59 Cb 0.49 -4.22 -0.14 0.00 -0.64 0.00 0.00 41.12 36.61 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 -6.33 0.03 -0.23 0.64 2.96 -1.26 -2.50 118.68 111.98 2dj3 s LEU 60 Ca 0.21 0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 54.52 2dj3 s LEU 60 Cb -0.05 0.50 0.08 0.00 0.50 0.00 0.00 46.19 47.21 2dj3 s LEU 60 CO 0.80 -0.22 0.10 -0.69 -1.32 0.00 0.00 176.35 175.03 2dj3 s VAL 61 N 2.03 0.01 -0.42 1.68 1.01 -1.22 -4.70 120.40 118.79 2dj3 s VAL 61 Ca -0.01 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2dj3 s VAL 61 Cb -0.12 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.44 2dj3 s VAL 61 CO -0.07 -0.49 1.37 -0.63 0.00 0.00 0.00 175.10 175.28 2dj3 s ILE 62 N 2.08 3.95 0.37 2.22 1.01 -1.26 -3.17 121.20 126.39 2dj3 s ILE 62 Ca 0.05 0.97 0.08 0.00 0.00 0.00 0.00 60.65 61.76 2dj3 s ILE 62 Cb -0.16 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 37.99 2dj3 s ILE 62 CO -0.22 -0.78 -0.05 0.00 0.00 0.00 0.00 174.94 173.89 2dj3 s ALA 63 N 5.26 3.02 0.20 9.38 0.00 -0.59 -1.84 121.76 137.20 2dj3 s ALA 63 Ca 0.59 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 50.38 2dj3 s ALA 63 Cb -0.13 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 2dj3 s ALA 63 CO 0.32 -0.01 0.08 -1.59 0.00 0.00 0.00 175.76 174.57 2dj3 s LYS 64 N -3.65 1.21 0.00 0.00 -2.85 0.11 -2.02 119.74 112.54 2dj3 s LYS 64 Ca 0.33 -1.63 -0.25 0.00 -1.00 0.00 0.00 55.97 53.42 2dj3 s LYS 64 Cb 0.06 -0.03 0.06 0.00 -2.06 0.00 0.00 37.83 35.85 2dj3 s LYS 64 CO 0.17 -0.28 0.57 1.41 0.10 0.00 0.00 175.35 177.32 2dj3 s MET 65 N -4.05 1.02 -1.04 1.78 1.75 -1.10 0.41 119.30 118.07 2dj3 s MET 65 Ca 0.33 -0.02 -0.14 0.00 -1.25 0.00 0.00 55.69 54.61 2dj3 s MET 65 Cb 0.07 0.47 0.20 0.00 2.84 0.00 0.00 34.83 38.41 2dj3 s MET 65 CO 0.09 -0.34 1.15 -0.51 -0.65 0.00 0.00 175.02 174.76 2dj3 s ASP 66 N -1.59 6.96 0.63 1.11 1.11 -1.26 -2.24 116.67 121.39 2dj3 s ASP 66 Ca -0.09 -2.84 0.29 0.00 0.18 0.00 0.00 52.55 50.10 2dj3 s ASP 66 Cb -0.01 -2.32 1.58 0.00 1.07 0.00 0.00 42.92 43.24 2dj3 s ASP 66 CO 0.04 -0.68 1.93 0.00 1.18 0.00 0.00 175.17 177.63 2dj3 h ALA 67 N 7.59 1.67 -0.11 5.23 0.00 -1.75 0.32 119.26 132.22 2dj3 h ALA 67 Ca 0.20 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 2dj3 h ALA 67 Cb 0.95 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2dj3 h ALA 67 CO 1.06 -0.46 -0.37 1.79 0.00 0.00 0.00 179.25 181.26 2dj3 h THR 68 N 0.00 1.29 0.00 0.00 1.35 -1.89 -3.33 112.91 110.34 2dj3 h THR 68 Ca 0.08 -1.42 -0.43 0.00 -0.55 0.00 0.00 66.41 64.10 2dj3 h THR 68 Cb 0.83 1.62 -0.07 0.00 -1.73 0.00 0.00 68.15 68.80 2dj3 h THR 68 CO -0.00 0.43 -2.49 0.00 -0.25 0.00 0.00 175.52 173.21 2dj3 n ALA 69 N -2.47 1.33 -2.70 6.62 0.00 0.80 -4.93 120.51 119.15 2dj3 n ALA 69 Ca -0.01 -1.08 -0.39 0.00 0.00 0.00 0.00 53.44 51.96 2dj3 n ALA 69 Cb 0.45 0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 -7.05 6.75 -0.44 0.00 0.01 0.62 -5.03 114.94 109.79 2dj3 s ASN 70 Ca -0.36 0.90 -0.24 0.00 -0.71 0.00 0.00 52.86 52.45 2dj3 s ASN 70 Cb 0.12 -2.33 0.02 0.00 0.41 0.00 0.00 41.25 39.48 2dj3 s ASN 70 CO 0.52 -0.10 0.85 -1.81 -1.51 0.00 0.00 177.10 175.05 2dj3 s ASP 71 N 0.83 6.48 -0.21 -1.22 1.01 -1.26 -4.28 116.67 118.01 2dj3 s ASP 71 Ca 0.29 0.08 -0.29 0.00 0.71 0.00 0.00 52.55 53.34 2dj3 s ASP 71 Cb -0.16 -2.42 -0.06 0.00 1.01 0.00 0.00 42.92 41.29 2dj3 s ASP 71 CO 0.12 -0.95 2.20 -0.38 0.21 0.00 0.00 175.17 176.37 2dj3 n ILE 72 N 6.21 0.37 -0.15 0.77 5.41 -1.26 -4.84 119.36 125.86 2dj3 n ILE 72 Ca 0.04 -0.41 -0.09 0.00 1.00 0.00 0.00 62.75 63.29 2dj3 n ILE 72 Cb 0.48 -2.45 0.05 0.00 -0.71 0.00 0.00 39.64 37.01 2dj3 n ILE 72 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2dj3 h THR 73 N 7.00 1.27 -1.66 1.39 1.35 -1.93 -3.45 112.91 116.87 2dj3 h THR 73 Ca -0.40 -1.27 -0.35 0.00 -0.55 0.00 0.00 66.41 63.83 2dj3 h THR 73 Cb 1.25 1.03 0.19 0.00 -1.73 0.00 0.00 68.15 68.89 2dj3 h THR 73 CO 0.96 0.44 -1.24 0.59 -0.25 0.00 0.00 175.52 176.03 2dj3 n ASN 74 N -4.14 -2.69 -0.01 5.36 4.13 -1.26 -4.97 115.26 111.68 2dj3 n ASN 74 Ca 0.01 -0.15 -0.01 0.00 1.68 0.00 0.00 54.58 56.11 2dj3 n ASN 74 Cb 0.41 -0.71 -0.02 0.00 -1.54 0.00 0.00 39.78 37.91 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 0.52 4.30 0.08 6.41 8.00 -1.26 -4.68 116.55 129.92 2dj3 n ASP 75 Ca 0.01 -0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.41 2dj3 n ASP 75 Cb 0.52 0.54 -0.08 0.00 -0.02 0.00 0.00 41.12 42.08 2dj3 n ASP 75 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2dj3 h GLN 76 N 0.00 0.15 -6.14 -1.24 7.50 -1.93 -3.41 115.11 110.04 2dj3 h GLN 76 Ca -0.07 -0.21 -0.57 0.00 0.50 0.00 0.00 58.65 58.29 2dj3 h GLN 76 Cb 1.17 0.07 -0.10 0.00 0.05 0.00 0.00 27.48 28.67 2dj3 h GLN 76 CO 0.00 1.04 1.04 0.71 -1.50 0.00 0.00 178.83 180.12 2dj3 s TYR 77 N -2.90 2.41 -0.22 2.96 1.51 -1.26 -4.90 117.35 114.95 2dj3 s TYR 77 Ca -0.02 -0.29 -0.00 0.00 -1.01 0.00 0.00 57.07 55.75 2dj3 s TYR 77 Cb 0.09 -4.58 0.02 0.00 -0.11 0.00 0.00 41.96 37.39 2dj3 s TYR 77 CO 0.84 -1.97 -0.13 0.15 -1.11 0.00 0.00 175.55 173.33 2dj3 s LYS 78 N 5.27 2.90 -0.95 -0.62 1.02 -1.26 -4.86 119.74 121.23 2dj3 s LYS 78 Ca 0.35 -0.91 -0.18 0.00 0.02 0.00 0.00 55.97 55.24 2dj3 s LYS 78 Cb -0.08 -2.79 0.13 0.00 -0.52 0.00 0.00 37.83 34.57 2dj3 s LYS 78 CO 0.10 -0.31 1.16 0.08 -0.92 0.00 0.00 175.35 175.45 2dj3 s VAL 79 N 1.30 4.73 0.26 3.17 1.01 -1.26 -4.82 120.40 124.79 2dj3 s VAL 79 Ca 0.02 -1.64 0.09 0.00 0.00 0.00 0.00 61.98 60.46 2dj3 s VAL 79 Cb -0.15 -4.80 -0.04 0.00 0.00 0.00 0.00 36.38 31.39 2dj3 s VAL 79 CO -0.08 -1.52 1.58 -0.33 0.00 0.00 0.00 175.10 174.74 2dj3 h GLU 80 N 8.73 0.03 0.00 2.72 4.39 -1.97 -3.48 114.58 125.01 2dj3 h GLU 80 Ca 0.17 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2dj3 h GLU 80 Cb 1.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2dj3 h GLU 80 CO 1.12 0.66 0.00 0.41 -1.16 0.00 0.00 179.01 180.05 2dj3 n GLY 81 N 0.33 3.61 3.31 -3.84 0.00 -1.26 -5.18 105.19 102.16 2dj3 n GLY 81 Ca -0.01 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.82 -0.39 1.25 1.61 0.40 -1.26 -4.40 117.98 113.38 2dj3 s PHE 82 Ca 0.00 0.83 -0.21 0.00 -0.60 0.00 0.00 56.93 56.95 2dj3 s PHE 82 Cb 0.00 0.16 0.31 0.00 0.51 0.00 0.00 43.02 44.00 2dj3 s PHE 82 CO 0.00 -0.33 1.12 -1.25 0.70 0.00 0.00 175.22 175.46 2dj3 s PRO 83 N -0.48 -1.62 -0.28 0.24 0.04 -1.26 -4.88 135.00 126.76 2dj3 s PRO 83 Ca -0.06 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.77 2dj3 s PRO 83 Cb -0.03 -1.56 0.17 0.00 0.04 0.00 0.00 34.50 33.11 2dj3 s PRO 83 CO 0.03 -3.95 0.49 0.99 0.04 0.00 0.00 177.00 174.60 2dj3 s THR 84 N -3.02 -0.80 -0.06 1.26 2.01 -0.98 -5.01 115.64 109.03 2dj3 s THR 84 Ca 0.72 -0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.61 2dj3 s THR 84 Cb -0.07 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 2dj3 s THR 84 CO 0.56 -0.09 0.09 -0.63 -0.69 0.00 0.00 174.62 173.85 2dj3 s ILE 85 N 2.69 4.92 -0.02 1.82 1.01 -1.26 0.69 121.20 131.05 2dj3 s ILE 85 Ca 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 2dj3 s ILE 85 Cb -0.14 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.19 2dj3 s ILE 85 CO -0.22 0.51 0.03 -0.31 0.00 0.00 0.00 174.94 174.95 2dj3 s TYR 86 N -1.07 0.00 -0.32 3.97 2.02 0.12 -2.96 117.35 119.12 2dj3 s TYR 86 Ca 0.18 0.13 -0.11 0.00 -0.37 0.00 0.00 57.07 56.90 2dj3 s TYR 86 Cb -0.12 -0.16 -0.02 0.00 -0.40 0.00 0.00 41.96 41.26 2dj3 s TYR 86 CO 0.08 -0.07 0.20 0.12 -1.57 0.00 0.00 175.55 174.31 2dj3 s PHE 87 N 0.78 3.21 -0.64 2.71 2.19 -0.27 -0.81 117.98 125.14 2dj3 s PHE 87 Ca -0.06 -0.26 -0.12 0.00 0.33 0.00 0.00 56.93 56.82 2dj3 s PHE 87 Cb -0.09 -2.42 0.16 0.00 -1.31 0.00 0.00 43.02 39.36 2dj3 s PHE 87 CO -0.02 -0.35 0.55 0.00 1.83 0.00 0.00 175.22 177.23 2dj3 s ALA 88 N 1.70 3.74 -0.08 11.12 0.00 -0.82 -2.94 121.76 134.48 2dj3 s ALA 88 Ca 0.06 -2.93 -0.30 0.00 0.00 0.00 0.00 51.96 48.79 2dj3 s ALA 88 Cb -0.17 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2dj3 s ALA 88 CO 0.09 -2.10 1.51 -1.25 0.00 0.00 0.00 175.76 174.02 2dj3 s PRO 89 N 0.79 4.21 -0.55 0.00 0.04 -1.26 -2.04 135.00 136.18 2dj3 s PRO 89 Ca 0.11 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.86 2dj3 s PRO 89 Cb -0.20 -3.87 -0.12 0.00 0.04 0.00 0.00 34.50 30.34 2dj3 s PRO 89 CO -0.03 -0.77 2.39 -1.13 0.04 0.00 0.00 177.00 177.50 2dj3 n SER 90 N 6.75 1.75 0.00 6.66 3.41 -1.26 -1.25 113.62 129.68 2dj3 n SER 90 Ca 0.16 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2dj3 n SER 90 Cb 0.43 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 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 6.35 3.46 1.96 5.00 0.00 -1.26 -4.87 105.19 115.82 2dj3 n GLY 91 Ca 0.46 -0.96 -0.21 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 4.24 -0.35 1.61 2.03 -0.38 -4.64 116.55 119.06 2dj3 n ASP 92 Ca 0.00 -3.70 0.02 0.00 0.52 0.00 0.00 54.79 51.63 2dj3 n ASP 92 Cb 0.00 -0.79 0.18 0.00 -0.72 0.00 0.00 41.12 39.80 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 1.26 1.13 -1.08 -0.67 1.57 -1.73 -2.37 116.57 114.69 2dj3 h LYS 93 Ca 0.51 -0.07 0.38 0.00 -1.87 0.00 0.00 60.65 59.60 2dj3 h LYS 93 Cb 2.08 -0.26 -0.11 0.00 0.08 0.00 0.00 32.23 34.03 2dj3 h LYS 93 CO 1.00 0.75 0.69 1.17 -0.57 0.00 0.00 179.45 182.48 2dj3 n LYS 94 N -4.48 -0.03 -3.72 3.15 3.00 -1.26 -2.77 118.16 112.05 2dj3 n LYS 94 Ca 0.14 0.99 -0.37 0.00 -0.00 0.00 0.00 58.31 59.07 2dj3 n LYS 94 Cb 0.16 -1.95 -0.10 0.00 0.00 0.00 0.00 35.03 33.13 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 -4.35 5.34 0.68 3.14 0.01 -0.89 -4.84 114.94 114.03 2dj3 s ASN 95 Ca -0.06 -2.27 -0.14 0.00 -0.71 0.00 0.00 52.86 49.68 2dj3 s ASN 95 Cb 0.24 -1.87 0.01 0.00 0.41 0.00 0.00 41.25 40.05 2dj3 s ASN 95 CO 0.64 -0.51 1.11 -2.16 -1.51 0.00 0.00 177.10 174.67 2dj3 s PRO 96 N 0.79 2.70 -0.25 -0.60 0.04 -1.12 -4.85 135.00 131.72 2dj3 s PRO 96 Ca 0.11 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.51 2dj3 s PRO 96 Cb -0.22 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.44 2dj3 s PRO 96 CO -0.04 -1.32 -0.04 0.42 0.04 0.00 0.00 177.00 176.06 2dj3 s ILE 97 N -2.44 1.64 0.12 0.56 1.01 -1.15 -4.96 121.20 115.97 2dj3 s ILE 97 Ca 0.66 -1.39 -0.23 0.00 0.00 0.00 0.00 60.65 59.69 2dj3 s ILE 97 Cb -0.20 -1.93 -0.07 0.00 0.01 0.00 0.00 42.46 40.27 2dj3 s ILE 97 CO 0.44 -0.17 0.69 -0.75 0.00 0.00 0.00 174.94 175.15 2dj3 s LYS 98 N 1.32 4.42 -0.61 2.79 2.20 -1.26 -1.11 119.74 127.49 2dj3 s LYS 98 Ca -0.04 0.98 -0.25 0.00 -0.36 0.00 0.00 55.97 56.31 2dj3 s LYS 98 Cb -0.19 -3.26 0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2dj3 s LYS 98 CO -0.07 0.59 1.03 0.12 -0.36 0.00 0.00 175.35 176.65 2dj3 s PHE 99 N -1.08 2.67 -0.62 4.03 5.36 -1.16 -4.89 117.98 122.29 2dj3 s PHE 99 Ca 0.33 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 2dj3 s PHE 99 Cb -0.22 -4.26 0.43 0.00 -0.34 0.00 0.00 43.02 38.63 2dj3 s PHE 99 CO 0.23 -1.56 1.80 0.39 -1.46 0.00 0.00 175.22 174.62 2dj3 n GLU 100 N 7.92 2.94 -2.42 10.12 1.02 -1.26 -4.83 120.64 134.13 2dj3 n GLU 100 Ca 0.01 -3.62 -0.40 0.00 -0.02 0.00 0.00 57.16 53.14 2dj3 n GLU 100 Cb 0.47 -2.28 -0.04 0.00 -0.02 0.00 0.00 31.44 29.58 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 -2.14 3.03 0.36 0.62 0.00 -1.26 -4.91 107.32 103.03 2dj3 s GLY 101 Ca 0.58 0.94 0.18 0.00 0.00 0.00 0.00 44.72 46.41 2dj3 s GLY 101 CO -0.11 1.53 1.64 -1.33 0.00 0.00 0.00 173.10 174.83 2dj3 h GLY 102 N 3.63 2.08 -4.40 0.20 0.00 -2.00 -3.39 103.07 99.20 2dj3 h GLY 102 Ca -0.47 -0.20 -0.53 0.00 0.00 0.00 0.00 47.33 46.12 2dj3 h GLY 102 CO 0.66 -0.58 -0.82 -1.31 0.00 0.00 0.00 176.54 174.49 2dj3 s ASN 103 N -4.76 2.29 -0.89 0.19 0.01 -1.26 -5.09 114.94 105.43 2dj3 s ASN 103 Ca -0.09 -0.59 -0.01 0.00 -0.71 0.00 0.00 52.86 51.45 2dj3 s ASN 103 Cb 0.31 -0.15 0.22 0.00 0.41 0.00 0.00 41.25 42.05 2dj3 s ASN 103 CO 0.79 0.07 0.78 -0.13 -1.51 0.00 0.00 177.10 177.10 2dj3 s ARG 104 N -1.54 3.26 0.20 -0.60 0.52 -1.26 -4.68 118.95 114.86 2dj3 s ARG 104 Ca 0.05 -3.29 0.02 0.00 -0.52 0.00 0.00 55.73 51.99 2dj3 s ARG 104 Cb -0.09 -3.94 -0.01 0.00 0.52 0.00 0.00 34.95 31.43 2dj3 s ARG 104 CO 0.03 -1.27 0.07 -3.47 0.02 0.00 0.00 175.30 170.68 2dj3 n ASP 105 N 2.30 1.19 0.13 0.23 2.03 -1.26 -4.95 116.55 116.21 2dj3 n ASP 105 Ca 0.22 -2.06 0.13 0.00 0.52 0.00 0.00 54.79 53.59 2dj3 n ASP 105 Cb 0.37 0.48 0.42 0.00 -0.72 0.00 0.00 41.12 41.67 2dj3 n ASP 105 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2dj3 h LEU 106 N 0.00 0.00 0.08 -2.67 5.85 -1.96 -0.22 115.31 116.38 2dj3 h LEU 106 Ca -0.16 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.24 2dj3 h LEU 106 Cb 0.60 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2dj3 h LEU 106 CO 0.25 0.00 -1.79 -0.33 -0.34 0.00 0.00 178.44 176.23 2dj3 h GLU 107 N 0.00 0.17 0.13 1.25 5.08 -1.97 -3.24 114.58 116.00 2dj3 h GLU 107 Ca 0.00 -0.28 -0.33 0.00 -1.00 0.00 0.00 59.36 57.75 2dj3 h GLU 107 Cb 0.65 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2dj3 h GLU 107 CO 0.00 0.93 -1.67 0.45 -1.00 0.00 0.00 179.01 177.72 2dj3 h HIS 108 N 0.05 0.50 0.15 4.33 3.86 -1.84 -3.29 115.15 118.91 2dj3 h HIS 108 Ca -0.33 -0.37 -0.01 0.00 -1.16 0.00 0.00 60.37 58.50 2dj3 h HIS 108 Cb 2.02 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.47 2dj3 h HIS 108 CO 0.05 1.49 -0.07 -0.07 0.86 0.00 0.00 177.93 180.19 2dj3 h LEU 109 N 0.08 -0.17 -2.56 2.43 3.38 -1.22 -2.20 115.31 115.05 2dj3 h LEU 109 Ca -0.30 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.59 2dj3 h LEU 109 Cb 2.04 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.84 2dj3 h LEU 109 CO 0.15 -0.02 0.06 0.77 0.09 0.00 0.00 178.44 179.49 2dj3 h SER 110 N -0.32 0.00 1.34 -0.43 4.64 -1.72 0.25 113.55 117.31 2dj3 h SER 110 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2dj3 h SER 110 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2dj3 h SER 110 CO 0.03 0.00 -0.13 0.29 -0.87 0.00 0.00 176.83 176.16 2dj3 n LYS 111 N -3.53 0.26 0.04 4.77 5.02 -0.86 -2.84 118.16 121.02 2dj3 n LYS 111 Ca -0.02 0.18 0.11 0.00 -2.02 0.00 0.00 58.31 56.57 2dj3 n LYS 111 Cb 0.15 -1.77 -0.08 0.00 -0.02 0.00 0.00 35.03 33.30 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 -2.21 0.42 -0.06 2.13 7.35 0.83 -4.22 117.46 121.69 2dj3 n PHE 112 Ca 0.05 0.12 -0.04 0.00 -0.76 0.00 0.00 57.45 56.83 2dj3 n PHE 112 Cb 0.43 -0.66 -0.02 0.00 0.35 0.00 0.00 39.48 39.58 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 0.09 -1.44 -2.13 2.04 -1.43 -3.23 117.51 111.41 2dj3 h ILE 113 Ca 0.00 -1.09 0.45 0.00 1.00 0.00 0.00 64.86 65.23 2dj3 h ILE 113 Cb 0.96 0.19 -0.11 0.00 -0.74 0.00 0.00 36.82 37.11 2dj3 h ILE 113 CO 0.00 0.03 0.96 0.44 0.00 0.00 0.00 178.15 179.58 2dj3 h ASP 114 N -1.00 0.18 0.43 1.72 3.32 -1.75 1.32 116.42 120.64 2dj3 h ASP 114 Ca -0.01 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2dj3 h ASP 114 Cb 0.33 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2dj3 h ASP 114 CO -0.01 -0.13 -0.21 -0.33 -1.72 0.00 0.00 179.24 176.84 2dj3 h GLU 115 N 0.07 -0.56 -0.28 3.56 5.08 -1.73 -3.16 114.58 117.56 2dj3 h GLU 115 Ca 0.82 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 59.22 2dj3 h GLU 115 Cb 2.77 0.13 0.00 0.00 0.50 0.00 0.00 28.75 32.15 2dj3 h GLU 115 CO -0.31 -0.29 0.00 0.72 -1.00 0.00 0.00 179.01 178.13 2dj3 n HIS 116 N -5.18 0.19 -1.24 4.33 8.25 0.30 -4.76 115.22 117.11 2dj3 n HIS 116 Ca -0.09 -0.09 -0.15 0.00 -0.26 0.00 0.00 57.72 57.14 2dj3 n HIS 116 Cb 0.27 -0.03 0.11 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.10 -1.08 -0.68 -1.41 0.00 0.43 -4.88 120.51 112.80 2dj3 n ALA 117 Ca 0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 53.44 52.58 2dj3 n ALA 117 Cb 0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 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 -3.17 2.31 -3.80 0.00 -1.04 -1.26 -4.76 114.28 102.56 2dj3 n THR 118 Ca 0.08 -0.87 -0.24 0.00 -2.04 0.00 0.00 64.05 60.98 2dj3 n THR 118 Cb 0.29 -1.69 -0.04 0.00 -1.82 0.00 0.00 70.33 67.07 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 1.93 -0.82 0.01 -2.82 4.76 -1.26 -4.81 118.16 115.15 2dj3 n LYS 119 Ca 0.17 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.40 2dj3 n LYS 119 Cb 0.65 -2.11 -0.14 0.00 -1.84 0.00 0.00 35.03 31.59 2dj3 n LYS 119 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2dj3 h ARG 120 N -0.86 0.24 -6.16 1.97 2.43 -1.87 -3.46 114.38 106.67 2dj3 h ARG 120 Ca -0.46 -0.42 -0.69 0.00 -0.81 0.00 0.00 59.98 57.61 2dj3 h ARG 120 Cb 0.95 0.15 -0.26 0.00 -0.42 0.00 0.00 29.97 30.39 2dj3 h ARG 120 CO 0.44 1.20 -0.81 -1.54 -1.51 0.00 0.00 179.97 177.75 2dj3 s SER 121 N -7.01 3.71 -0.65 -3.80 1.04 -1.26 -5.08 113.70 100.64 2dj3 s SER 121 Ca -0.19 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 55.97 2dj3 s SER 121 Cb 0.04 -0.89 0.16 0.00 0.10 0.00 0.00 66.02 65.43 2dj3 s SER 121 CO 0.77 0.30 0.43 -0.13 0.98 0.00 0.00 173.24 175.59 2dj3 s ARG 122 N -0.45 2.34 -0.38 4.02 3.00 -1.26 -4.90 118.95 121.32 2dj3 s ARG 122 Ca 0.05 -3.13 0.05 0.00 0.00 0.00 0.00 55.73 52.71 2dj3 s ARG 122 Cb -0.12 -3.41 0.47 0.00 0.00 0.00 0.00 34.95 31.89 2dj3 s ARG 122 CO 0.02 -1.23 1.46 -2.37 0.00 0.00 0.00 175.30 173.18 2dj3 n THR 123 N 2.33 2.79 -0.47 0.02 5.66 -1.26 -4.78 114.28 118.56 2dj3 n THR 123 Ca 0.15 -3.51 0.39 0.00 -3.05 0.00 0.00 64.05 58.04 2dj3 n THR 123 Cb 0.34 -0.90 0.70 0.00 -1.55 0.00 0.00 70.33 68.92 2dj3 n THR 123 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2dj3 h LYS 124 N 1.79 0.08 -7.16 1.09 3.11 -2.03 -3.40 116.57 110.05 2dj3 h LYS 124 Ca 0.38 -0.00 -0.49 0.00 -2.81 0.00 0.00 60.65 57.72 2dj3 h LYS 124 Cb 1.39 -0.02 0.07 0.00 -1.00 0.00 0.00 32.23 32.68 2dj3 h LYS 124 CO 0.84 0.05 0.39 -1.21 -2.81 0.00 0.00 179.45 176.70 2dj3 s GLU 125 N -5.13 3.27 -0.07 1.90 2.02 -1.26 -5.06 118.70 114.37 2dj3 s GLU 125 Ca -0.07 1.34 0.04 0.00 0.02 0.00 0.00 54.97 56.30 2dj3 s GLU 125 Cb 0.27 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.48 2dj3 s GLU 125 CO 0.84 -0.87 -0.20 -2.00 0.02 0.00 0.00 175.26 173.05 2dj3 s GLU 126 N -3.83 2.39 -0.83 1.61 2.56 -1.26 -5.03 118.70 114.31 2dj3 s GLU 126 Ca 0.66 -0.72 -0.15 0.00 0.00 0.00 0.00 54.97 54.77 2dj3 s GLU 126 Cb -0.18 -1.91 -0.24 0.00 2.00 0.00 0.00 34.13 33.79 2dj3 s GLU 126 CO 0.34 0.19 1.96 1.47 -0.56 0.00 0.00 175.26 178.66 2dj3 n LEU 127 N 3.42 -0.64 0.00 2.70 -0.00 -1.26 -4.68 117.00 116.54 2dj3 n LEU 127 Ca -0.19 -0.21 0.01 0.00 -0.00 0.00 0.00 56.01 55.61 2dj3 n LEU 127 Cb 0.53 -0.57 0.01 0.00 -0.00 0.00 0.00 43.42 43.39 2dj3 n LEU 127 CO 0.26 -0.95 0.85 -1.20 -0.00 0.00 0.00 177.39 176.35 2dj3 n SER 128 N 6.21 -1.08 -4.85 1.45 7.64 -1.26 -5.17 113.62 116.57 2dj3 n SER 128 Ca 0.56 -1.32 -0.31 0.00 1.01 0.00 0.00 58.87 58.80 2dj3 n SER 128 Cb 0.08 1.70 0.03 0.00 -1.01 0.00 0.00 64.21 65.01 2dj3 n SER 128 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dj3 s GLY 129 N -3.54 1.67 -0.03 0.23 0.00 -1.26 -4.99 107.32 99.40 2dj3 s GLY 129 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 44.72 44.66 2dj3 s GLY 129 CO 0.01 0.29 1.47 2.56 0.00 0.00 0.00 173.10 177.43 2dj3 s PRO 130 N -5.09 4.24 0.14 2.90 0.04 -1.26 -5.02 135.00 130.95 2dj3 s PRO 130 Ca 0.57 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.57 2dj3 s PRO 130 Cb -0.12 -3.71 -0.06 0.00 0.04 0.00 0.00 34.50 30.65 2dj3 s PRO 130 CO 0.54 -0.68 0.39 0.45 0.04 0.00 0.00 177.00 177.74 2dj3 s SER 131 N 2.32 6.51 -0.22 6.66 0.15 -1.26 -5.10 113.70 122.77 2dj3 s SER 131 Ca 0.66 0.63 -0.15 0.00 0.70 0.00 0.00 55.95 57.79 2dj3 s SER 131 Cb -0.31 -2.11 0.06 0.00 -1.71 0.00 0.00 66.02 61.95 2dj3 s SER 131 CO 0.26 0.06 0.55 -0.94 1.20 0.00 0.00 173.24 174.37 2dj3 s SER 132 N -2.34 -0.67 0.00 5.45 1.04 -1.26 -5.30 113.70 110.62 2dj3 s SER 132 Ca 0.40 1.17 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2dj3 s SER 132 Cb -0.12 1.10 0.00 0.00 0.10 0.00 0.00 66.02 67.10 2dj3 s SER 132 CO 0.23 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.86