#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 -0.74 0.17 1.61 0.01 -1.26 -5.05 113.70 108.44 2dj3 s SER 2 Ca 0.00 1.13 -0.15 0.00 1.31 0.00 0.00 55.95 58.23 2dj3 s SER 2 Cb 0.00 1.49 0.13 0.00 0.21 0.00 0.00 66.02 67.86 2dj3 s SER 2 CO 0.00 -0.17 1.69 0.28 0.41 0.00 0.00 173.24 175.45 2dj3 h SER 3 N 6.86 -0.17 -3.57 2.44 0.02 -2.02 -3.47 113.55 113.63 2dj3 h SER 3 Ca -0.25 0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.72 2dj3 h SER 3 Cb 1.18 0.18 0.06 0.00 0.14 0.00 0.00 62.40 63.95 2dj3 h SER 3 CO 0.15 -0.05 -0.25 0.61 -1.14 0.00 0.00 176.83 176.15 2dj3 n GLY 4 N -1.28 0.28 3.30 -3.77 0.00 -1.26 -5.08 105.19 97.38 2dj3 n GLY 4 Ca 0.03 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2dj3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj3 s SER 5 N -3.18 -0.19 -0.03 1.61 0.01 -1.26 -5.14 113.70 105.52 2dj3 s SER 5 Ca 0.10 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.73 2dj3 s SER 5 Cb -0.01 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.63 2dj3 s SER 5 CO 0.22 -0.82 1.10 -0.94 0.41 0.00 0.00 173.24 173.21 2dj3 s SER 6 N -2.74 7.18 0.00 2.44 1.04 -1.26 -4.83 113.70 115.53 2dj3 s SER 6 Ca 0.02 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.21 2dj3 s SER 6 Cb 0.02 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2dj3 s SER 6 CO -0.11 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2dj3 n GLY 7 N 3.16 -1.96 0.08 7.32 0.00 -1.26 -4.81 105.19 107.71 2dj3 n GLY 7 Ca 0.09 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.06 -6.25 1.61 0.13 -1.88 -3.43 132.00 122.12 2dj3 h PRO 8 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 2dj3 h PRO 8 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2dj3 h PRO 8 CO 0.00 0.40 1.17 0.08 -0.23 0.00 0.00 178.00 179.42 2dj3 s VAL 9 N -4.22 3.51 0.26 1.56 1.01 -1.26 -4.75 120.40 116.51 2dj3 s VAL 9 Ca -0.15 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 2dj3 s VAL 9 Cb 0.02 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 2dj3 s VAL 9 CO 0.64 -0.17 1.15 -0.75 0.00 0.00 0.00 175.10 175.98 2dj3 s LYS 10 N 4.68 4.56 0.04 2.72 2.20 -1.19 -4.82 119.74 127.93 2dj3 s LYS 10 Ca 0.77 1.88 -0.13 0.00 -0.36 0.00 0.00 55.97 58.13 2dj3 s LYS 10 Cb -0.30 -3.19 -0.06 0.00 -1.51 0.00 0.00 37.83 32.77 2dj3 s LYS 10 CO 0.31 0.08 0.42 0.14 -0.36 0.00 0.00 175.35 175.94 2dj3 s VAL 11 N -0.87 5.04 -0.02 4.02 -7.23 -1.26 -0.71 120.40 119.37 2dj3 s VAL 11 Ca 0.47 0.70 0.04 0.00 -1.81 0.00 0.00 61.98 61.38 2dj3 s VAL 11 Cb -0.33 -3.69 -0.01 0.00 0.56 0.00 0.00 36.38 32.91 2dj3 s VAL 11 CO 0.42 0.45 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.83 2dj3 s VAL 12 N -1.23 1.04 0.38 1.32 1.01 0.23 -4.88 120.40 118.27 2dj3 s VAL 12 Ca 0.28 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.80 2dj3 s VAL 12 Cb -0.16 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 2dj3 s VAL 12 CO 0.15 0.30 0.07 0.68 0.00 0.00 0.00 175.10 176.31 2dj3 s VAL 13 N -0.18 2.43 0.42 2.92 -7.23 -1.26 -4.15 120.40 113.35 2dj3 s VAL 13 Ca 0.03 -1.88 0.16 0.00 -1.81 0.00 0.00 61.98 58.48 2dj3 s VAL 13 Cb -0.06 -2.90 0.36 0.00 0.56 0.00 0.00 36.38 34.34 2dj3 s VAL 13 CO -0.00 -0.10 1.90 1.23 -0.31 0.00 0.00 175.10 177.82 2dj3 h GLY 14 N 1.67 0.75 2.00 2.32 0.00 -1.91 1.16 103.07 109.05 2dj3 h GLY 14 Ca -0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 2dj3 h GLY 14 CO 0.70 0.05 -0.06 0.07 0.00 0.00 0.00 176.54 177.30 2dj3 h LYS 15 N 0.42 0.00 0.00 4.80 2.10 -1.96 -3.19 116.57 118.74 2dj3 h LYS 15 Ca 0.40 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.02 2dj3 h LYS 15 Cb 0.93 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.20 2dj3 h LYS 15 CO -0.13 0.06 -0.42 0.25 -2.00 0.00 0.00 179.45 177.20 2dj3 n THR 16 N -3.14 1.59 -0.08 0.07 -2.24 0.11 -4.78 114.28 105.81 2dj3 n THR 16 Ca 0.02 -2.32 -0.15 0.00 -2.27 0.00 0.00 64.05 59.34 2dj3 n THR 16 Cb 0.44 0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.60 0.00 0.00 4.78 3.04 0.12 -2.88 116.94 122.60 2dj3 h PHE 17 Ca -0.03 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2dj3 h PHE 17 Cb 1.17 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.68 2dj3 h PHE 17 CO 0.38 0.95 0.00 -0.25 -2.02 0.00 0.00 178.31 177.37 2dj3 n ASP 18 N -4.54 0.00 -0.12 0.41 9.92 -1.26 -0.88 116.55 120.07 2dj3 n ASP 18 Ca -0.19 0.13 -0.22 0.00 -0.53 0.00 0.00 54.79 53.98 2dj3 n ASP 18 Cb 0.49 -0.30 -0.12 0.00 -0.64 0.00 0.00 41.12 40.56 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 -1.30 1.28 -0.02 2.24 0.00 -1.25 -4.25 120.51 117.21 2dj3 n ALA 19 Ca 0.06 -1.03 -0.02 0.00 0.00 0.00 0.00 53.44 52.45 2dj3 n ALA 19 Cb 0.10 -0.11 -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 -3.63 0.32 0.20 0.00 5.41 -1.09 -3.76 119.36 116.81 2dj3 n ILE 20 Ca -0.47 0.43 0.17 0.00 1.00 0.00 0.00 62.75 63.88 2dj3 n ILE 20 Cb 0.95 -1.69 0.71 0.00 -0.71 0.00 0.00 39.64 38.91 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 -0.22 0.16 -0.76 1.39 2.07 -1.19 0.28 116.25 117.98 2dj3 h VAL 21 Ca 0.00 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.98 2dj3 h VAL 21 Cb 0.17 0.58 -0.36 0.00 -1.52 0.00 0.00 31.29 30.17 2dj3 h VAL 21 CO 0.00 0.00 -0.31 0.23 0.02 0.00 0.00 177.57 177.51 2dj3 n MET 22 N -3.23 3.17 -2.84 1.57 2.81 -0.77 -4.67 117.12 113.17 2dj3 n MET 22 Ca 0.03 -3.84 -0.43 0.00 -1.81 0.00 0.00 57.70 51.66 2dj3 n MET 22 Cb 0.59 -2.23 -0.04 0.00 -0.71 0.00 0.00 33.22 30.83 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 -3.04 6.47 0.00 7.83 1.01 0.98 -4.72 116.67 125.20 2dj3 s ASP 23 Ca 0.54 0.04 0.09 0.00 0.71 0.00 0.00 52.55 53.92 2dj3 s ASP 23 Cb 0.43 -2.44 0.52 0.00 1.01 0.00 0.00 42.92 42.44 2dj3 s ASP 23 CO 0.02 -1.05 0.96 -0.81 0.21 0.00 0.00 175.17 174.50 2dj3 n PRO 24 N 7.15 0.49 0.03 8.23 -0.04 -1.26 -2.71 135.00 146.89 2dj3 n PRO 24 Ca 0.05 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.29 2dj3 n PRO 24 Cb 0.48 -1.28 -0.14 0.00 -0.04 0.00 0.00 33.50 32.52 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 -3.12 0.54 1.57 -1.90 -3.41 116.57 110.56 2dj3 h LYS 25 Ca 0.00 -0.54 -0.11 0.00 -1.87 0.00 0.00 60.65 58.13 2dj3 h LYS 25 Cb 0.00 0.20 -0.19 0.00 0.08 0.00 0.00 32.23 32.32 2dj3 h LYS 25 CO 0.00 1.26 -0.28 -1.59 -0.57 0.00 0.00 179.45 178.27 2dj3 s LYS 26 N -2.55 0.69 0.01 3.15 -2.85 -1.10 -4.99 119.74 112.10 2dj3 s LYS 26 Ca -0.20 -0.28 -0.30 0.00 -1.00 0.00 0.00 55.97 54.19 2dj3 s LYS 26 Cb 0.06 0.30 -0.06 0.00 -2.06 0.00 0.00 37.83 36.07 2dj3 s LYS 26 CO 0.80 -0.20 1.50 -0.51 0.10 0.00 0.00 175.35 177.04 2dj3 s ASP 27 N -1.51 6.76 -0.17 0.03 1.11 -1.01 -4.26 116.67 117.62 2dj3 s ASP 27 Ca -0.12 2.22 -0.01 0.00 0.18 0.00 0.00 52.55 54.83 2dj3 s ASP 27 Cb -0.04 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.38 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 2.69 2.96 -0.58 -1.27 1.01 -0.91 -3.18 120.40 121.13 2dj3 s VAL 28 Ca 0.68 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 2dj3 s VAL 28 Cb -0.34 -2.28 0.07 0.00 0.00 0.00 0.00 36.38 33.83 2dj3 s VAL 28 CO 0.28 0.49 0.77 -0.22 0.00 0.00 0.00 175.10 176.42 2dj3 s LEU 29 N 0.93 4.86 0.00 3.92 2.96 -1.20 -2.15 118.68 128.00 2dj3 s LEU 29 Ca -0.02 -1.03 -0.18 0.00 -0.22 0.00 0.00 54.13 52.68 2dj3 s LEU 29 Cb -0.15 -2.44 -0.06 0.00 0.50 0.00 0.00 46.19 44.04 2dj3 s LEU 29 CO -0.01 -1.14 0.50 -0.51 -1.32 0.00 0.00 176.35 173.88 2dj3 s ILE 30 N 3.15 4.94 -0.21 6.68 1.10 -0.08 -1.93 121.20 134.84 2dj3 s ILE 30 Ca 0.17 1.05 -0.01 0.00 -0.51 0.00 0.00 60.65 61.35 2dj3 s ILE 30 Cb -0.19 -3.83 0.06 0.00 0.15 0.00 0.00 42.46 38.65 2dj3 s ILE 30 CO 0.11 0.50 -0.00 -0.70 -2.11 0.00 0.00 174.94 172.73 2dj3 s GLU 31 N -0.66 1.09 -0.37 3.50 -6.30 -1.08 0.48 118.70 115.37 2dj3 s GLU 31 Ca 0.27 -0.69 -0.29 0.00 -2.50 0.00 0.00 54.97 51.76 2dj3 s GLU 31 Cb -0.18 -2.33 0.01 0.00 0.00 0.00 0.00 34.13 31.63 2dj3 s GLU 31 CO 0.15 -0.63 1.36 -0.06 0.02 0.00 0.00 175.26 176.10 2dj3 s PHE 32 N 1.64 2.53 0.11 5.30 0.08 0.26 -2.17 117.98 125.73 2dj3 s PHE 32 Ca -0.03 0.75 0.08 0.00 0.12 0.00 0.00 56.93 57.85 2dj3 s PHE 32 Cb -0.18 -4.15 -0.04 0.00 -0.57 0.00 0.00 43.02 38.09 2dj3 s PHE 32 CO -0.07 -1.86 -0.16 1.52 -0.10 0.00 0.00 175.22 174.55 2dj3 s TYR 33 N 4.95 2.59 -0.14 0.36 -0.85 -0.66 -1.78 117.35 121.82 2dj3 s TYR 33 Ca 0.59 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.90 2dj3 s TYR 33 Cb -0.15 -1.38 -0.01 0.00 0.38 0.00 0.00 41.96 40.81 2dj3 s TYR 33 CO 0.29 0.39 -0.14 0.00 -1.52 0.00 0.00 175.55 174.57 2dj3 s ALA 34 N -1.15 2.57 -0.59 9.51 0.00 -1.26 -4.12 121.76 126.72 2dj3 s ALA 34 Ca 0.19 -0.94 0.21 0.00 0.00 0.00 0.00 51.96 51.42 2dj3 s ALA 34 Cb -0.11 -1.21 0.90 0.00 0.00 0.00 0.00 23.12 22.70 2dj3 s ALA 34 CO 0.11 0.15 1.65 -0.35 0.00 0.00 0.00 175.76 177.32 2dj3 n PRO 35 N 3.71 0.15 -0.01 0.00 -0.04 -1.26 -2.23 135.00 135.32 2dj3 n PRO 35 Ca -0.18 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 63.76 2dj3 n PRO 35 Cb 0.52 -1.79 -0.14 0.00 -0.04 0.00 0.00 33.50 32.05 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 -2.08 0.00 -3.20 0.54 4.27 -1.26 -4.92 117.44 110.80 2dj3 n TRP 36 Ca 0.02 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.25 2dj3 n TRP 36 Cb 0.21 -0.25 -0.05 0.00 -1.36 0.00 0.00 31.31 29.85 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 6.89 0.61 0.58 0.00 0.00 -1.91 -3.13 103.07 106.10 2dj3 h GLY 38 Ca -0.40 -0.93 0.10 0.00 0.00 0.00 0.00 47.33 46.10 2dj3 h GLY 38 CO 0.76 0.82 0.62 0.45 0.00 0.00 0.00 176.54 179.19 2dj3 h HIS 39 N 0.15 0.00 0.10 5.60 3.86 -1.94 0.17 115.15 123.10 2dj3 h HIS 39 Ca -0.06 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.93 2dj3 h HIS 39 Cb 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 2dj3 h HIS 39 CO 0.12 0.00 -1.12 0.00 0.86 0.00 0.00 177.93 177.79 2dj3 h LYS 41 N -0.45 0.47 0.00 0.00 1.57 -0.66 0.83 116.57 118.33 2dj3 h LYS 41 Ca -0.24 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2dj3 h LYS 41 Cb 1.62 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.82 2dj3 h LYS 41 CO 0.05 0.31 -0.02 -0.56 -0.57 0.00 0.00 179.45 178.66 2dj3 h GLN 42 N 0.49 0.00 0.00 3.15 3.07 -1.62 -2.30 115.11 117.90 2dj3 h GLN 42 Ca 0.51 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.91 2dj3 h GLN 42 Cb 0.86 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.36 2dj3 h GLN 42 CO -0.45 0.02 -2.08 -0.11 0.09 0.00 0.00 178.83 176.29 2dj3 n LEU 43 N -3.24 0.55 -0.24 0.06 7.94 0.25 -4.27 117.00 118.06 2dj3 n LEU 43 Ca -0.02 0.18 -0.02 0.00 -1.11 0.00 0.00 56.01 55.04 2dj3 n LEU 43 Cb 0.16 0.27 -0.00 0.00 0.53 0.00 0.00 43.42 44.37 2dj3 n LEU 43 CO 0.24 0.47 0.33 -0.62 -1.11 0.00 0.00 177.39 176.71 2dj3 n GLU 44 N -2.92 -0.18 -0.02 1.96 1.02 0.10 0.21 120.64 120.82 2dj3 n GLU 44 Ca -0.26 0.92 -0.13 0.00 -0.02 0.00 0.00 57.16 57.67 2dj3 n GLU 44 Cb 1.10 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 31.07 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 0.05 -0.62 3.49 0.13 -1.78 -2.87 132.00 130.40 2dj3 h PRO 45 Ca 0.18 -0.03 0.12 0.00 -0.87 0.00 0.00 66.00 65.40 2dj3 h PRO 45 Cb 0.33 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.36 2dj3 h PRO 45 CO -0.59 0.53 0.08 0.82 -0.23 0.00 0.00 178.00 178.61 2dj3 h ILE 46 N -0.42 0.56 -0.72 -3.56 2.04 -0.62 -0.61 117.51 114.18 2dj3 h ILE 46 Ca 0.00 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2dj3 h ILE 46 Cb 0.52 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2dj3 h ILE 46 CO 0.01 0.04 0.42 0.22 0.00 0.00 0.00 178.15 178.83 2dj3 h TYR 47 N 0.19 0.96 -0.55 1.37 3.20 -0.28 -2.75 116.97 119.11 2dj3 h TYR 47 Ca 0.33 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.28 2dj3 h TYR 47 Cb 0.52 -0.31 -0.11 0.00 1.54 0.00 0.00 36.73 38.37 2dj3 h TYR 47 CO -0.30 0.66 -0.36 1.15 -1.64 0.00 0.00 178.16 177.67 2dj3 h THR 48 N 0.98 0.16 -0.22 1.81 2.02 -0.87 0.30 112.91 117.09 2dj3 h THR 48 Ca 0.26 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.41 2dj3 h THR 48 Cb -0.01 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 2dj3 h THR 48 CO -0.05 0.00 0.00 0.28 0.37 0.00 0.00 175.52 176.13 2dj3 h SER 49 N -0.20 0.29 -0.04 4.18 0.02 -1.36 -1.15 113.55 115.30 2dj3 h SER 49 Ca 0.21 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2dj3 h SER 49 Cb 0.55 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2dj3 h SER 49 CO -0.66 0.34 -0.02 0.25 -1.14 0.00 0.00 176.83 175.61 2dj3 h LEU 50 N 0.31 0.15 0.00 5.07 5.85 -0.16 -1.30 115.31 125.24 2dj3 h LEU 50 Ca 0.07 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2dj3 h LEU 50 Cb 0.21 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2dj3 h LEU 50 CO 0.00 0.21 -0.61 1.23 -0.34 0.00 0.00 178.44 178.93 2dj3 h GLY 51 N 0.42 0.00 0.48 3.75 0.00 -0.42 -2.94 103.07 104.36 2dj3 h GLY 51 Ca 0.04 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.57 2dj3 h GLY 51 CO 0.00 0.00 0.56 0.07 0.00 0.00 0.00 176.54 177.18 2dj3 h LYS 52 N -1.00 0.00 0.18 4.80 2.10 -1.28 0.60 116.57 121.97 2dj3 h LYS 52 Ca -0.09 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.28 2dj3 h LYS 52 Cb 0.67 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.02 2dj3 h LYS 52 CO -0.06 0.00 -1.32 1.57 -2.00 0.00 0.00 179.45 177.64 2dj3 h LYS 53 N 0.00 0.37 -0.00 0.07 2.10 -1.39 -3.28 116.57 114.44 2dj3 h LYS 53 Ca 0.33 -0.64 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2dj3 h LYS 53 Cb 1.46 0.24 0.00 0.00 -0.90 0.00 0.00 32.23 33.02 2dj3 h LYS 53 CO -0.00 1.31 -0.00 0.66 -2.00 0.00 0.00 179.45 179.41 2dj3 n TYR 54 N -3.87 0.00 0.04 0.07 4.02 -0.03 -3.67 117.16 113.72 2dj3 n TYR 54 Ca -0.19 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.73 2dj3 n TYR 54 Cb 0.97 -0.01 0.42 0.00 -0.02 0.00 0.00 39.34 40.70 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 0.37 0.44 -1.00 -0.72 1.79 0.05 -2.12 116.57 115.37 2dj3 h LYS 55 Ca 0.00 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 2dj3 h LYS 55 Cb 0.08 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 2dj3 h LYS 55 CO 0.00 0.36 0.05 0.41 -1.08 0.00 0.00 179.45 179.19 2dj3 n GLY 56 N -1.28 2.19 3.44 3.86 0.00 -1.24 -4.85 105.19 107.32 2dj3 n GLY 56 Ca 0.02 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 0.37 0.63 -3.84 1.61 1.13 -0.80 -5.10 117.38 111.38 2dj3 n GLN 57 Ca 0.05 -2.74 -0.36 0.00 -1.94 0.00 0.00 57.00 52.01 2dj3 n GLN 57 Cb 0.59 -0.22 -0.13 0.00 0.11 0.00 0.00 30.24 30.59 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 -4.33 3.44 -1.32 -1.09 -0.14 -1.26 -4.61 119.74 110.43 2dj3 s LYS 58 Ca 0.54 -0.60 -0.01 0.00 -1.36 0.00 0.00 55.97 54.53 2dj3 s LYS 58 Cb -0.04 -3.15 0.01 0.00 -1.68 0.00 0.00 37.83 32.97 2dj3 s LYS 58 CO 0.34 -0.22 0.76 -0.25 -0.76 0.00 0.00 175.35 175.22 2dj3 n ASP 59 N 4.84 -1.65 -3.53 2.83 8.00 -1.26 -4.48 116.55 121.30 2dj3 n ASP 59 Ca -0.17 -0.79 -0.14 0.00 0.71 0.00 0.00 54.79 54.39 2dj3 n ASP 59 Cb 0.51 -4.15 -0.12 0.00 -0.02 0.00 0.00 41.12 37.33 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 -6.71 -0.30 -0.25 0.64 2.96 -1.26 -2.40 118.68 111.35 2dj3 s LEU 60 Ca 0.07 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 2dj3 s LEU 60 Cb -0.04 0.68 0.07 0.00 0.50 0.00 0.00 46.19 47.40 2dj3 s LEU 60 CO 0.80 -0.29 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.86 2dj3 s VAL 61 N 2.41 1.30 -0.61 1.68 1.01 -1.19 -4.74 120.40 120.26 2dj3 s VAL 61 Ca 0.06 -1.22 -0.28 0.00 0.00 0.00 0.00 61.98 60.54 2dj3 s VAL 61 Cb -0.14 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.55 2dj3 s VAL 61 CO -0.11 -0.25 1.37 -0.63 0.00 0.00 0.00 175.10 175.47 2dj3 s ILE 62 N 1.48 3.79 0.26 2.22 1.01 -1.26 -3.21 121.20 125.49 2dj3 s ILE 62 Ca -0.01 0.64 0.11 0.00 0.00 0.00 0.00 60.65 61.39 2dj3 s ILE 62 Cb -0.18 -4.57 -0.05 0.00 0.01 0.00 0.00 42.46 37.67 2dj3 s ILE 62 CO -0.10 -1.34 -0.16 0.00 0.00 0.00 0.00 174.94 173.35 2dj3 s ALA 63 N 5.95 2.83 0.35 9.38 0.00 -0.82 -3.18 121.76 136.27 2dj3 s ALA 63 Ca 0.48 -1.79 0.06 0.00 0.00 0.00 0.00 51.96 50.70 2dj3 s ALA 63 Cb -0.10 -0.40 -0.07 0.00 0.00 0.00 0.00 23.12 22.56 2dj3 s ALA 63 CO 0.23 0.30 0.02 -1.59 0.00 0.00 0.00 175.76 174.72 2dj3 s LYS 64 N -3.43 1.76 0.05 0.00 -2.85 0.11 -2.62 119.74 112.75 2dj3 s LYS 64 Ca 0.29 -1.97 -0.22 0.00 -1.00 0.00 0.00 55.97 53.07 2dj3 s LYS 64 Cb -0.06 -1.22 0.05 0.00 -2.06 0.00 0.00 37.83 34.55 2dj3 s LYS 64 CO 0.16 -0.10 0.51 1.41 0.10 0.00 0.00 175.35 177.43 2dj3 s MET 65 N -3.79 1.03 -0.60 1.78 1.75 -0.92 0.74 119.30 119.29 2dj3 s MET 65 Ca 0.35 -0.26 -0.17 0.00 -1.25 0.00 0.00 55.69 54.36 2dj3 s MET 65 Cb 0.08 0.47 0.13 0.00 2.84 0.00 0.00 34.83 38.36 2dj3 s MET 65 CO 0.16 -0.37 0.61 -0.51 -0.65 0.00 0.00 175.02 174.26 2dj3 s ASP 66 N -2.02 6.26 0.38 1.11 1.11 -1.26 -1.66 116.67 120.59 2dj3 s ASP 66 Ca -0.05 -1.79 0.16 0.00 0.18 0.00 0.00 52.55 51.05 2dj3 s ASP 66 Cb -0.01 -2.24 0.75 0.00 1.07 0.00 0.00 42.92 42.49 2dj3 s ASP 66 CO -0.02 -0.91 1.81 0.00 1.18 0.00 0.00 175.17 177.22 2dj3 h ALA 67 N 8.85 1.23 -0.51 5.23 0.00 -1.73 0.27 119.26 132.60 2dj3 h ALA 67 Ca -0.24 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.35 2dj3 h ALA 67 Cb 1.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2dj3 h ALA 67 CO 1.03 0.47 0.34 1.79 0.00 0.00 0.00 179.25 182.88 2dj3 h THR 68 N 0.00 1.09 0.00 0.00 1.35 -1.90 -3.22 112.91 110.23 2dj3 h THR 68 Ca -0.00 -0.22 -0.40 0.00 -0.55 0.00 0.00 66.41 65.24 2dj3 h THR 68 Cb 0.73 0.40 -0.07 0.00 -1.73 0.00 0.00 68.15 67.49 2dj3 h THR 68 CO 0.05 0.12 -2.44 0.00 -0.25 0.00 0.00 175.52 173.00 2dj3 n ALA 69 N -2.47 1.40 -2.70 6.62 0.00 -1.09 -4.93 120.51 117.34 2dj3 n ALA 69 Ca 0.05 -1.06 -0.38 0.00 0.00 0.00 0.00 53.44 52.05 2dj3 n ALA 69 Cb 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 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 -6.73 6.63 -0.40 0.00 0.01 0.92 -5.04 114.94 110.33 2dj3 s ASN 70 Ca -0.35 0.75 -0.25 0.00 -0.71 0.00 0.00 52.86 52.30 2dj3 s ASN 70 Cb 0.10 -2.28 0.02 0.00 0.41 0.00 0.00 41.25 39.50 2dj3 s ASN 70 CO 0.54 -0.05 0.90 -1.81 -1.51 0.00 0.00 177.10 175.17 2dj3 s ASP 71 N 0.80 6.60 -0.73 -1.22 1.11 -1.26 -4.20 116.67 117.77 2dj3 s ASP 71 Ca 0.25 0.38 -0.25 0.00 0.18 0.00 0.00 52.55 53.11 2dj3 s ASP 71 Cb -0.15 -2.45 -0.13 0.00 1.07 0.00 0.00 42.92 41.26 2dj3 s ASP 71 CO 0.10 -0.90 2.41 -0.38 1.18 0.00 0.00 175.17 177.58 2dj3 n ILE 72 N 6.10 -0.02 -0.33 0.77 5.41 -1.26 -4.77 119.36 125.25 2dj3 n ILE 72 Ca 0.06 -0.57 0.17 0.00 1.00 0.00 0.00 62.75 63.41 2dj3 n ILE 72 Cb 0.48 -2.08 0.37 0.00 -0.71 0.00 0.00 39.64 37.70 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 7.67 0.45 -1.91 1.39 1.35 -1.92 -3.42 112.91 116.53 2dj3 h THR 73 Ca -0.06 -0.15 -0.25 0.00 -0.55 0.00 0.00 66.41 65.40 2dj3 h THR 73 Cb 1.08 -0.03 0.14 0.00 -1.73 0.00 0.00 68.15 67.61 2dj3 h THR 73 CO 1.08 0.08 -0.47 0.59 -0.25 0.00 0.00 175.52 176.55 2dj3 n ASN 74 N -5.00 -2.89 0.00 5.36 4.13 -1.26 -4.99 115.26 110.62 2dj3 n ASN 74 Ca 0.26 -0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.20 2dj3 n ASN 74 Cb 0.76 -0.76 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 -0.88 3.54 0.14 6.41 9.92 -1.26 -4.74 116.55 129.69 2dj3 n ASP 75 Ca 0.05 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.30 2dj3 n ASP 75 Cb 0.38 0.29 0.19 0.00 -0.64 0.00 0.00 41.12 41.34 2dj3 n ASP 75 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 2dj3 h GLN 76 N 0.00 0.01 -6.04 -1.24 3.07 -1.94 -3.41 115.11 105.56 2dj3 h GLN 76 Ca 0.00 -0.01 -0.60 0.00 0.09 0.00 0.00 58.65 58.13 2dj3 h GLN 76 Cb 0.74 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 28.19 2dj3 h GLN 76 CO 0.00 0.59 0.61 0.71 0.09 0.00 0.00 178.83 180.83 2dj3 s TYR 77 N -3.69 2.83 -0.04 0.06 1.51 -1.26 -4.83 117.35 111.93 2dj3 s TYR 77 Ca -0.02 0.19 0.06 0.00 -1.01 0.00 0.00 57.07 56.29 2dj3 s TYR 77 Cb 0.13 -4.07 -0.02 0.00 -0.11 0.00 0.00 41.96 37.89 2dj3 s TYR 77 CO 0.76 -1.27 -0.23 0.15 -1.11 0.00 0.00 175.55 173.85 2dj3 s LYS 78 N 3.95 2.31 -0.34 -0.62 -0.14 -1.26 -4.92 119.74 118.73 2dj3 s LYS 78 Ca 0.34 -0.87 -0.09 0.00 -1.36 0.00 0.00 55.97 54.00 2dj3 s LYS 78 Cb -0.11 -2.15 0.02 0.00 -1.68 0.00 0.00 37.83 33.91 2dj3 s LYS 78 CO 0.23 0.53 0.14 0.08 -0.76 0.00 0.00 175.35 175.57 2dj3 s VAL 79 N -0.53 4.22 -0.13 3.17 1.01 -1.26 -4.92 120.40 121.96 2dj3 s VAL 79 Ca 0.07 -0.82 0.15 0.00 0.00 0.00 0.00 61.98 61.38 2dj3 s VAL 79 Cb -0.11 -3.29 0.33 0.00 0.00 0.00 0.00 36.38 33.31 2dj3 s VAL 79 CO 0.00 -0.09 1.16 -0.62 0.00 0.00 0.00 175.10 175.55 2dj3 n GLU 80 N 4.91 1.11 0.00 2.72 1.02 -1.26 -5.02 120.64 124.12 2dj3 n GLU 80 Ca -0.13 -2.63 0.00 0.00 -0.02 0.00 0.00 57.16 54.38 2dj3 n GLU 80 Cb 0.47 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 2dj3 n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dj3 n GLY 81 N -0.93 3.11 3.90 0.62 0.00 -1.26 -5.16 105.19 105.47 2dj3 n GLY 81 Ca 0.14 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 3.49 0.92 1.61 0.40 -1.26 -3.86 117.98 119.27 2dj3 s PHE 82 Ca 0.00 0.27 -0.12 0.00 -0.60 0.00 0.00 56.93 56.48 2dj3 s PHE 82 Cb 0.00 -1.77 0.14 0.00 0.51 0.00 0.00 43.02 41.90 2dj3 s PHE 82 CO 0.00 0.60 1.09 -1.25 0.70 0.00 0.00 175.22 176.36 2dj3 s PRO 83 N -2.28 1.10 -0.24 0.24 0.04 -1.26 -4.69 135.00 127.92 2dj3 s PRO 83 Ca 0.31 0.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.08 2dj3 s PRO 83 Cb -0.13 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.70 2dj3 s PRO 83 CO 0.24 -2.33 0.10 0.99 0.04 0.00 0.00 177.00 176.03 2dj3 s THR 84 N -2.94 0.14 -0.06 1.26 2.01 -0.73 -4.99 115.64 110.32 2dj3 s THR 84 Ca 0.64 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.97 2dj3 s THR 84 Cb -0.18 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 2dj3 s THR 84 CO 0.57 -0.48 0.20 -0.63 -0.69 0.00 0.00 174.62 173.59 2dj3 s ILE 85 N 2.02 5.40 -0.08 1.82 1.01 -1.26 0.89 121.20 131.00 2dj3 s ILE 85 Ca 0.05 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 2dj3 s ILE 85 Cb -0.16 -3.49 0.04 0.00 0.01 0.00 0.00 42.46 38.86 2dj3 s ILE 85 CO -0.21 0.51 0.18 -0.31 0.00 0.00 0.00 174.94 175.10 2dj3 s TYR 86 N -1.15 -0.22 -0.35 3.97 2.02 0.18 -2.77 117.35 119.03 2dj3 s TYR 86 Ca 0.21 0.60 -0.16 0.00 -0.37 0.00 0.00 57.07 57.35 2dj3 s TYR 86 Cb -0.13 -0.07 -0.01 0.00 -0.40 0.00 0.00 41.96 41.36 2dj3 s TYR 86 CO 0.10 -0.21 0.40 0.12 -1.57 0.00 0.00 175.55 174.40 2dj3 s PHE 87 N 1.39 3.20 -0.63 2.71 2.19 -0.23 -0.90 117.98 125.71 2dj3 s PHE 87 Ca -0.07 -0.01 -0.13 0.00 0.33 0.00 0.00 56.93 57.05 2dj3 s PHE 87 Cb -0.11 -2.75 0.16 0.00 -1.31 0.00 0.00 43.02 39.01 2dj3 s PHE 87 CO -0.07 -0.48 0.55 0.00 1.83 0.00 0.00 175.22 177.05 2dj3 s ALA 88 N 2.11 3.73 -0.56 11.12 0.00 -0.91 -3.09 121.76 134.17 2dj3 s ALA 88 Ca 0.13 -2.86 -0.27 0.00 0.00 0.00 0.00 51.96 48.96 2dj3 s ALA 88 Cb -0.16 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 2dj3 s ALA 88 CO 0.12 -2.09 1.83 -1.25 0.00 0.00 0.00 175.76 174.37 2dj3 s PRO 89 N 0.93 2.78 -0.62 0.00 0.04 -1.26 -2.15 135.00 134.72 2dj3 s PRO 89 Ca 0.10 0.75 -0.33 0.00 0.04 0.00 0.00 61.00 61.56 2dj3 s PRO 89 Cb -0.22 -4.34 -0.17 0.00 0.04 0.00 0.00 34.50 29.81 2dj3 s PRO 89 CO -0.02 -2.54 2.04 -1.13 0.04 0.00 0.00 177.00 175.38 2dj3 n SER 90 N 12.18 0.47 0.00 6.66 3.41 -1.26 0.32 113.62 135.40 2dj3 n SER 90 Ca 0.21 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2dj3 n SER 90 Cb 0.51 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 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 6.03 3.40 1.56 5.00 0.00 -1.26 -4.88 105.19 115.04 2dj3 n GLY 91 Ca 0.51 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 3.96 0.11 1.61 2.03 0.15 -4.74 116.55 119.68 2dj3 n ASP 92 Ca 0.00 -3.80 0.05 0.00 0.52 0.00 0.00 54.79 51.56 2dj3 n ASP 92 Cb 0.00 -0.52 0.51 0.00 -0.72 0.00 0.00 41.12 40.39 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 1.64 0.30 -1.50 -0.67 1.57 -1.84 -2.70 116.57 113.36 2dj3 h LYS 93 Ca 0.28 -0.02 0.45 0.00 -1.87 0.00 0.00 60.65 59.49 2dj3 h LYS 93 Cb 1.38 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.55 2dj3 h LYS 93 CO 0.60 0.22 1.06 1.63 -0.57 0.00 0.00 179.45 182.39 2dj3 n LYS 94 N -4.48 -0.01 -3.71 3.15 4.01 -1.26 -2.76 118.16 113.10 2dj3 n LYS 94 Ca 0.00 0.91 -0.37 0.00 -0.51 0.00 0.00 58.31 58.35 2dj3 n LYS 94 Cb 0.09 -2.03 -0.10 0.00 -0.51 0.00 0.00 35.03 32.48 2dj3 n LYS 94 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2dj3 s ASN 95 N -3.99 5.35 0.15 4.39 0.01 -1.02 -4.88 114.94 114.95 2dj3 s ASN 95 Ca -0.05 -2.36 -0.31 0.00 -0.71 0.00 0.00 52.86 49.44 2dj3 s ASN 95 Cb 0.23 -1.88 -0.08 0.00 0.41 0.00 0.00 41.25 39.93 2dj3 s ASN 95 CO 0.71 -0.50 1.34 -2.16 -1.51 0.00 0.00 177.10 174.98 2dj3 s PRO 96 N 0.66 4.36 -0.44 -0.60 0.04 -1.11 -4.85 135.00 133.06 2dj3 s PRO 96 Ca 0.12 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.06 2dj3 s PRO 96 Cb -0.22 -3.23 0.06 0.00 0.04 0.00 0.00 34.50 31.15 2dj3 s PRO 96 CO -0.04 -0.34 0.33 0.42 0.04 0.00 0.00 177.00 177.42 2dj3 s ILE 97 N 0.63 4.95 0.01 0.56 1.01 -1.18 -4.94 121.20 122.25 2dj3 s ILE 97 Ca 0.60 -1.05 -0.23 0.00 0.00 0.00 0.00 60.65 59.97 2dj3 s ILE 97 Cb -0.36 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 2dj3 s ILE 97 CO 0.34 -0.49 0.70 -0.75 0.00 0.00 0.00 174.94 174.74 2dj3 s LYS 98 N 1.59 4.43 -0.49 2.79 2.20 -1.26 -1.06 119.74 127.93 2dj3 s LYS 98 Ca 0.04 0.92 -0.27 0.00 -0.36 0.00 0.00 55.97 56.30 2dj3 s LYS 98 Cb -0.23 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2dj3 s LYS 98 CO 0.06 0.28 2.03 0.12 -0.36 0.00 0.00 175.35 177.48 2dj3 s PHE 99 N 0.01 1.49 -0.65 4.03 5.36 -1.12 -4.92 117.98 122.18 2dj3 s PHE 99 Ca 0.36 0.96 -0.08 0.00 -0.96 0.00 0.00 56.93 57.21 2dj3 s PHE 99 Cb -0.19 -3.94 0.17 0.00 -0.34 0.00 0.00 43.02 38.71 2dj3 s PHE 99 CO 0.20 -2.62 0.52 -1.21 -1.46 0.00 0.00 175.22 170.65 2dj3 s GLU 100 N 7.06 2.87 0.21 10.12 2.02 -1.26 -4.79 118.70 134.94 2dj3 s GLU 100 Ca 0.81 -2.30 0.00 0.00 0.02 0.00 0.00 54.97 53.49 2dj3 s GLU 100 Cb -0.17 -4.01 0.00 0.00 0.10 0.00 0.00 34.13 30.05 2dj3 s GLU 100 CO 0.26 -1.22 0.00 0.41 0.02 0.00 0.00 175.26 174.73 2dj3 n GLY 101 N 4.02 -0.22 0.00 -1.39 0.00 -1.26 -5.08 105.19 101.27 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 2.01 3.20 3.13 -0.02 0.00 -1.26 -5.08 105.19 107.17 2dj3 n GLY 102 Ca 0.00 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.11 4.49 -1.33 1.61 -0.87 -1.26 -5.04 114.94 112.44 2dj3 s ASN 103 Ca 0.00 -1.22 -0.17 0.00 -1.57 0.00 0.00 52.86 49.91 2dj3 s ASN 103 Cb 0.00 -1.62 0.07 0.00 -0.02 0.00 0.00 41.25 39.68 2dj3 s ASN 103 CO 0.00 -0.19 1.84 0.54 -2.57 0.00 0.00 177.10 176.72 2dj3 n ARG 104 N 4.55 3.14 -4.38 -0.60 5.12 -1.26 -4.60 116.66 118.63 2dj3 n ARG 104 Ca -0.15 -3.17 -0.19 0.00 -1.93 0.00 0.00 57.85 52.41 2dj3 n ARG 104 Cb 0.44 -3.40 -0.10 0.00 -1.16 0.00 0.00 32.46 28.23 2dj3 n ARG 104 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2dj3 s ASP 105 N 3.80 2.45 0.46 0.55 1.11 -1.26 -4.87 116.67 118.91 2dj3 s ASP 105 Ca 0.51 -1.16 0.13 0.00 0.18 0.00 0.00 52.55 52.21 2dj3 s ASP 105 Cb 0.06 -0.11 1.06 0.00 1.07 0.00 0.00 42.92 45.00 2dj3 s ASP 105 CO 0.03 -0.36 2.06 0.25 1.18 0.00 0.00 175.17 178.33 2dj3 h LEU 106 N 2.40 0.10 -0.17 1.23 5.85 -1.91 0.27 115.31 123.07 2dj3 h LEU 106 Ca -0.39 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 2dj3 h LEU 106 Cb 1.23 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2dj3 h LEU 106 CO 0.66 0.16 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.65 2dj3 h GLU 107 N 0.11 0.42 0.05 1.25 4.57 -1.96 -2.76 114.58 116.26 2dj3 h GLU 107 Ca 0.03 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2dj3 h GLU 107 Cb 0.14 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2dj3 h GLU 107 CO 0.01 0.80 -0.02 0.45 -1.18 0.00 0.00 179.01 179.06 2dj3 h HIS 108 N 0.06 -0.06 -0.46 0.92 3.86 -1.73 -3.10 115.15 114.65 2dj3 h HIS 108 Ca 0.02 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 2dj3 h HIS 108 Cb 0.73 0.02 -0.09 0.00 1.06 0.00 0.00 27.41 29.12 2dj3 h HIS 108 CO 0.08 0.54 -0.49 -0.07 0.86 0.00 0.00 177.93 178.86 2dj3 h LEU 109 N -0.72 -1.64 -1.03 2.43 3.38 -0.59 0.17 115.31 117.31 2dj3 h LEU 109 Ca -0.01 0.24 0.19 0.00 0.09 0.00 0.00 57.88 58.39 2dj3 h LEU 109 Cb 0.62 0.70 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 2dj3 h LEU 109 CO 0.01 -0.37 0.61 0.77 0.09 0.00 0.00 178.44 179.55 2dj3 h SER 110 N -0.33 0.78 0.56 -0.43 4.64 -1.60 0.72 113.55 117.89 2dj3 h SER 110 Ca 0.12 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2dj3 h SER 110 Cb 0.58 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2dj3 h SER 110 CO -0.62 0.28 -0.01 0.11 -0.87 0.00 0.00 176.83 175.72 2dj3 h LYS 111 N 0.76 0.00 0.10 4.77 1.57 -0.62 -1.18 116.57 121.97 2dj3 h LYS 111 Ca 0.57 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.99 2dj3 h LYS 111 Cb 0.90 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 2dj3 h LYS 111 CO -0.37 0.01 -2.05 0.34 -0.57 0.00 0.00 179.45 176.81 2dj3 n PHE 112 N -3.12 1.08 0.04 -1.35 -0.00 0.23 -4.16 117.46 110.17 2dj3 n PHE 112 Ca -0.01 0.24 -0.02 0.00 -0.00 0.00 0.00 57.45 57.66 2dj3 n PHE 112 Cb 0.21 -1.14 -0.01 0.00 -0.00 0.00 0.00 39.48 38.53 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 0.06 0.00 -0.82 -2.13 2.04 -0.67 -3.18 117.51 112.80 2dj3 h ILE 113 Ca -0.44 -0.11 0.31 0.00 1.00 0.00 0.00 64.86 65.62 2dj3 h ILE 113 Cb 2.02 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.99 2dj3 h ILE 113 CO 0.07 0.00 0.50 0.47 0.00 0.00 0.00 178.15 179.18 2dj3 n ASP 114 N -2.60 0.19 0.13 1.72 8.00 -0.47 0.31 116.55 123.84 2dj3 n ASP 114 Ca -0.01 1.03 -0.05 0.00 0.71 0.00 0.00 54.79 56.46 2dj3 n ASP 114 Cb 0.04 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.62 2dj3 n ASP 114 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2dj3 h GLU 115 N 0.00 -0.33 -0.24 -1.24 4.39 -1.72 -3.30 114.58 112.14 2dj3 h GLU 115 Ca 0.59 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.30 2dj3 h GLU 115 Cb 1.75 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.47 2dj3 h GLU 115 CO -0.41 -0.22 0.11 0.45 -1.16 0.00 0.00 179.01 177.77 2dj3 h HIS 116 N -0.35 0.36 -3.55 4.33 3.86 -0.50 -3.40 115.15 115.89 2dj3 h HIS 116 Ca -0.03 -0.02 -0.62 0.00 -1.16 0.00 0.00 60.37 58.54 2dj3 h HIS 116 Cb 0.26 -0.11 -0.12 0.00 1.06 0.00 0.00 27.41 28.50 2dj3 h HIS 116 CO 0.16 0.37 0.05 0.00 0.86 0.00 0.00 177.93 179.37 2dj3 s ALA 117 N -5.61 3.59 -0.47 2.45 0.00 0.15 -4.99 121.76 116.88 2dj3 s ALA 117 Ca -0.13 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2dj3 s ALA 117 Cb 0.08 -2.95 0.22 0.00 0.00 0.00 0.00 23.12 20.47 2dj3 s ALA 117 CO 0.72 -0.80 0.50 -2.37 0.00 0.00 0.00 175.76 173.81 2dj3 n THR 118 N 5.20 -0.14 -3.14 0.00 5.66 -1.26 -4.06 114.28 116.54 2dj3 n THR 118 Ca -0.03 -4.12 -0.22 0.00 -3.05 0.00 0.00 64.05 56.63 2dj3 n THR 118 Cb 0.49 -1.92 -0.04 0.00 -1.55 0.00 0.00 70.33 67.31 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 1.77 -1.11 -1.67 1.09 5.02 -1.26 -4.76 118.16 117.23 2dj3 n LYS 119 Ca 0.25 0.07 -0.40 0.00 -2.02 0.00 0.00 58.31 56.22 2dj3 n LYS 119 Cb 0.48 -3.04 0.03 0.00 -0.02 0.00 0.00 35.03 32.48 2dj3 n LYS 119 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2dj3 n ARG 120 N -2.57 1.48 0.10 1.97 1.85 -1.26 -4.93 116.66 113.29 2dj3 n ARG 120 Ca 0.06 0.54 0.00 0.00 -1.00 0.00 0.00 57.85 57.45 2dj3 n ARG 120 Cb 0.30 -2.30 0.00 0.00 -1.05 0.00 0.00 32.46 29.40 2dj3 n ARG 120 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2dj3 n SER 121 N -0.30 0.40 -3.15 2.89 3.41 -1.26 -4.70 113.62 110.91 2dj3 n SER 121 Ca 0.10 0.33 -0.33 0.00 -0.26 0.00 0.00 58.87 58.71 2dj3 n SER 121 Cb 0.43 0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 2dj3 n SER 121 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2dj3 n ARG 122 N -3.47 0.00 -4.08 4.33 0.00 -1.26 -4.97 116.66 107.21 2dj3 n ARG 122 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2dj3 n ARG 122 Cb 0.01 -0.72 -0.04 0.00 -0.00 0.00 0.00 32.46 31.70 2dj3 n ARG 122 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2dj3 s THR 123 N -0.89 0.00 -0.03 8.89 -4.23 -1.26 -5.08 115.64 113.04 2dj3 s THR 123 Ca 0.45 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 2dj3 s THR 123 Cb -0.60 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.63 2dj3 s THR 123 CO 0.42 0.00 -0.01 1.17 -0.54 0.00 0.00 174.62 175.66 2dj3 n LYS 124 N -0.53 2.17 -3.11 3.99 4.81 -1.26 -4.85 118.16 119.38 2dj3 n LYS 124 Ca 0.00 0.01 -0.44 0.00 -0.87 0.00 0.00 58.31 57.01 2dj3 n LYS 124 Cb 0.62 -1.07 0.00 0.00 0.02 0.00 0.00 35.03 34.59 2dj3 n LYS 124 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2dj3 n GLU 125 N -2.30 3.52 0.11 1.64 -0.58 -1.26 -4.75 120.64 117.02 2dj3 n GLU 125 Ca -0.05 -4.16 0.12 0.00 -0.42 0.00 0.00 57.16 52.64 2dj3 n GLU 125 Cb 0.58 -2.78 0.18 0.00 -0.57 0.00 0.00 31.44 28.86 2dj3 n GLU 125 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2dj3 h GLU 126 N 6.75 0.00 -6.30 3.49 4.81 -2.00 -3.47 114.58 117.87 2dj3 h GLU 126 Ca 0.25 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.83 2dj3 h GLU 126 Cb 0.85 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.26 2dj3 h GLU 126 CO 1.16 0.00 0.87 1.28 -0.73 0.00 0.00 179.01 181.59 2dj3 n LEU 127 N -2.48 2.80 -4.39 1.64 4.32 -1.26 -4.96 117.00 112.67 2dj3 n LEU 127 Ca 0.03 1.05 -0.34 0.00 -0.02 0.00 0.00 56.01 56.73 2dj3 n LEU 127 Cb 0.48 -1.30 -0.14 0.00 -1.62 0.00 0.00 43.42 40.85 2dj3 n LEU 127 CO 0.35 -0.37 -0.40 -0.94 -1.22 0.00 0.00 177.39 174.81 2dj3 s SER 128 N 2.55 4.33 0.00 -1.43 1.04 -1.26 -5.01 113.70 113.92 2dj3 s SER 128 Ca 0.89 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2dj3 s SER 128 Cb -0.82 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2dj3 s SER 128 CO 0.51 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.44 2dj3 n GLY 129 N 3.94 -1.29 0.00 7.32 0.00 -1.26 -5.01 105.19 108.89 2dj3 n GLY 129 Ca -0.18 0.83 0.07 0.00 0.00 0.00 0.00 46.02 46.74 2dj3 n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dj3 n PRO 130 N 0.00 0.49 0.05 1.61 -0.04 -1.26 -3.31 135.00 132.54 2dj3 n PRO 130 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 2dj3 n PRO 130 Cb 0.00 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 31.95 2dj3 n PRO 130 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dj3 h SER 131 N 0.00 -0.18 -5.19 3.54 0.87 -2.04 -3.48 113.55 107.07 2dj3 h SER 131 Ca 0.00 -0.31 -0.05 0.00 -1.23 0.00 0.00 61.79 60.20 2dj3 h SER 131 Cb 0.00 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 61.94 2dj3 h SER 131 CO 0.00 0.39 0.00 -0.94 -0.53 0.00 0.00 176.83 175.76 2dj3 s SER 132 N -5.48 0.02 0.00 6.23 1.04 -1.21 -5.33 113.70 108.97 2dj3 s SER 132 Ca -0.11 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.36 2dj3 s SER 132 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2dj3 s SER 132 CO 0.39 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.94