#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj3 h SER 2 N 0.00 0.19 -1.01 1.61 4.64 -2.09 -3.46 113.55 113.43 2dj3 h SER 2 Ca 0.00 -0.93 -0.73 0.00 -0.47 0.00 0.00 61.79 59.66 2dj3 h SER 2 Cb 0.00 -0.06 0.08 0.00 -0.31 0.00 0.00 62.40 62.11 2dj3 h SER 2 CO 0.00 1.10 -0.22 -1.54 -0.87 0.00 0.00 176.83 175.30 2dj3 n SER 3 N -4.45 -0.59 -3.18 4.97 3.41 -1.26 -4.95 113.62 107.57 2dj3 n SER 3 Ca -0.11 1.15 0.04 0.00 -0.26 0.00 0.00 58.87 59.68 2dj3 n SER 3 Cb 0.58 -0.94 -0.04 0.00 -0.26 0.00 0.00 64.21 63.56 2dj3 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dj3 s GLY 4 N -0.48 0.22 -0.04 5.00 0.00 -1.26 -5.08 107.32 105.68 2dj3 s GLY 4 Ca 0.78 3.57 -0.06 0.00 0.00 0.00 0.00 44.72 49.01 2dj3 s GLY 4 CO 0.56 3.46 -0.13 -1.14 0.00 0.00 0.00 173.10 175.86 2dj3 n SER 5 N 4.70 1.15 -4.27 1.64 3.41 -1.26 -4.85 113.62 114.14 2dj3 n SER 5 Ca -0.07 0.18 -0.61 0.00 -0.26 0.00 0.00 58.87 58.11 2dj3 n SER 5 Cb 0.55 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.98 2dj3 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dj3 n SER 6 N -3.70 0.86 -3.10 4.04 2.88 -1.26 -1.90 113.62 111.44 2dj3 n SER 6 Ca -0.11 0.81 -0.07 0.00 -1.33 0.00 0.00 58.87 58.17 2dj3 n SER 6 Cb 0.36 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 2dj3 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj3 n GLY 7 N 6.28 -1.20 0.18 0.46 0.00 -1.26 -4.94 105.19 104.72 2dj3 n GLY 7 Ca 0.47 0.74 -0.13 0.00 0.00 0.00 0.00 46.02 47.10 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 0.89 0.57 -6.23 1.61 0.13 -1.71 -3.43 132.00 123.83 2dj3 h PRO 8 Ca -0.10 -0.30 -0.55 0.00 -0.87 0.00 0.00 66.00 64.18 2dj3 h PRO 8 Cb 1.06 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2dj3 h PRO 8 CO 0.28 0.89 1.02 0.08 -0.23 0.00 0.00 178.00 180.04 2dj3 s VAL 9 N -4.34 3.81 0.31 1.56 1.01 -1.26 -4.69 120.40 116.80 2dj3 s VAL 9 Ca -0.13 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 62.56 2dj3 s VAL 9 Cb 0.07 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 2dj3 s VAL 9 CO 0.80 -0.08 1.04 -0.75 0.00 0.00 0.00 175.10 176.10 2dj3 s LYS 10 N 3.82 4.54 -0.17 2.72 2.20 -1.11 -4.83 119.74 126.92 2dj3 s LYS 10 Ca 0.67 1.61 -0.10 0.00 -0.36 0.00 0.00 55.97 57.80 2dj3 s LYS 10 Cb -0.30 -2.98 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 2dj3 s LYS 10 CO 0.25 0.18 0.16 0.14 -0.36 0.00 0.00 175.35 175.71 2dj3 s VAL 11 N -1.35 5.42 0.10 4.02 -7.23 -1.26 0.25 120.40 120.34 2dj3 s VAL 11 Ca 0.48 0.25 0.10 0.00 -1.81 0.00 0.00 61.98 60.99 2dj3 s VAL 11 Cb -0.27 -3.47 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 2dj3 s VAL 11 CO 0.34 0.49 -0.23 -0.69 -0.31 0.00 0.00 175.10 174.69 2dj3 s VAL 12 N -0.05 2.49 0.39 1.32 1.01 0.75 -4.89 120.40 121.41 2dj3 s VAL 12 Ca 0.11 -1.54 0.04 0.00 0.00 0.00 0.00 61.98 60.60 2dj3 s VAL 12 Cb -0.12 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 2dj3 s VAL 12 CO 0.01 0.18 0.05 0.68 0.00 0.00 0.00 175.10 176.01 2dj3 s VAL 13 N -1.02 1.35 0.46 2.92 -7.23 -1.26 -4.33 120.40 111.29 2dj3 s VAL 13 Ca 0.15 -2.00 0.37 0.00 -1.81 0.00 0.00 61.98 58.69 2dj3 s VAL 13 Cb -0.10 -2.72 0.40 0.00 0.56 0.00 0.00 36.38 34.52 2dj3 s VAL 13 CO 0.06 0.00 2.20 1.23 -0.31 0.00 0.00 175.10 178.29 2dj3 h GLY 14 N 1.87 0.00 1.82 2.32 0.00 -1.93 1.21 103.07 108.35 2dj3 h GLY 14 Ca -0.41 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.74 2dj3 h GLY 14 CO 0.72 0.00 -0.92 0.07 0.00 0.00 0.00 176.54 176.41 2dj3 h LYS 15 N 0.00 0.00 0.00 4.80 2.10 -1.98 -3.33 116.57 118.16 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 0.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 2dj3 h LYS 15 CO 0.00 0.72 -0.14 0.25 -2.00 0.00 0.00 179.45 178.28 2dj3 n THR 16 N -3.24 1.61 -0.02 0.07 -2.24 -0.68 -4.77 114.28 105.00 2dj3 n THR 16 Ca -0.02 -2.00 -0.12 0.00 -2.27 0.00 0.00 64.05 59.65 2dj3 n THR 16 Cb 0.87 -0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.89 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 0.10 -0.06 0.00 4.78 3.04 0.13 -1.65 116.94 123.29 2dj3 h PHE 17 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2dj3 h PHE 17 Cb 1.07 0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.60 2dj3 h PHE 17 CO 0.08 0.59 0.00 -0.25 -2.02 0.00 0.00 178.31 176.71 2dj3 n ASP 18 N -4.76 0.00 -0.11 0.41 8.00 -1.26 -0.85 116.55 117.97 2dj3 n ASP 18 Ca -0.08 0.23 -0.21 0.00 0.71 0.00 0.00 54.79 55.44 2dj3 n ASP 18 Cb 0.33 -0.34 -0.12 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.34 1.29 -0.01 2.24 0.00 -1.21 -4.22 120.51 117.26 2dj3 n ALA 19 Ca 0.05 -1.01 -0.01 0.00 0.00 0.00 0.00 53.44 52.47 2dj3 n ALA 19 Cb 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -3.53 0.15 0.22 0.00 5.41 -0.62 -3.58 119.36 117.40 2dj3 n ILE 20 Ca -0.45 0.47 0.17 0.00 1.00 0.00 0.00 62.75 63.94 2dj3 n ILE 20 Cb 0.97 -1.59 0.75 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 -0.10 0.16 -0.60 1.39 2.07 -1.17 0.26 116.25 118.26 2dj3 h VAL 21 Ca 0.00 0.00 -0.42 0.00 0.82 0.00 0.00 66.70 67.10 2dj3 h VAL 21 Cb 0.08 0.62 -0.29 0.00 -1.52 0.00 0.00 31.29 30.18 2dj3 h VAL 21 CO 0.00 0.00 -0.39 0.23 0.02 0.00 0.00 177.57 177.43 2dj3 n MET 22 N -3.24 2.85 -2.92 1.57 2.81 -0.70 -4.66 117.12 112.82 2dj3 n MET 22 Ca 0.03 -3.74 -0.43 0.00 -1.81 0.00 0.00 57.70 51.75 2dj3 n MET 22 Cb 0.54 -2.10 -0.05 0.00 -0.71 0.00 0.00 33.22 30.90 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 -3.09 6.40 0.00 7.83 -1.08 0.93 -4.69 116.67 122.96 2dj3 s ASP 23 Ca 0.50 -0.15 0.09 0.00 -0.52 0.00 0.00 52.55 52.46 2dj3 s ASP 23 Cb 0.42 -2.40 0.51 0.00 -1.46 0.00 0.00 42.92 39.99 2dj3 s ASP 23 CO 0.01 -1.00 0.96 -0.81 0.52 0.00 0.00 175.17 174.85 2dj3 n PRO 24 N 6.93 0.49 0.04 4.34 -0.04 -1.26 -2.34 135.00 143.15 2dj3 n PRO 24 Ca 0.03 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.47 2dj3 n PRO 24 Cb 0.48 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.87 0.54 1.57 -1.90 -3.40 116.57 111.51 2dj3 h LYS 25 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2dj3 h LYS 25 Cb 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.10 2dj3 h LYS 25 CO 0.00 0.36 0.27 -1.59 -0.57 0.00 0.00 179.45 177.91 2dj3 s LYS 26 N -2.88 0.83 -0.04 3.15 -2.85 -0.99 -4.92 119.74 112.04 2dj3 s LYS 26 Ca -0.02 0.54 -0.30 0.00 -1.00 0.00 0.00 55.97 55.19 2dj3 s LYS 26 Cb 0.09 0.40 -0.06 0.00 -2.06 0.00 0.00 37.83 36.19 2dj3 s LYS 26 CO 0.81 -0.19 1.64 -0.51 0.10 0.00 0.00 175.35 177.20 2dj3 s ASP 27 N -0.43 6.67 -0.21 0.03 1.01 -0.68 -4.32 116.67 118.75 2dj3 s ASP 27 Ca -0.04 2.25 -0.04 0.00 0.71 0.00 0.00 52.55 55.42 2dj3 s ASP 27 Cb -0.03 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2dj3 s ASP 27 CO 0.03 -0.91 -0.02 -0.69 0.21 0.00 0.00 175.17 173.79 2dj3 s VAL 28 N 3.85 3.69 -0.57 -1.27 1.01 -0.78 -2.92 120.40 123.40 2dj3 s VAL 28 Ca 0.73 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 2dj3 s VAL 28 Cb -0.34 -2.67 0.07 0.00 0.00 0.00 0.00 36.38 33.44 2dj3 s VAL 28 CO 0.29 0.42 0.78 -0.22 0.00 0.00 0.00 175.10 176.38 2dj3 s LEU 29 N 1.21 4.75 -0.06 3.92 2.96 -1.17 -2.27 118.68 128.01 2dj3 s LEU 29 Ca 0.03 -0.93 -0.19 0.00 -0.22 0.00 0.00 54.13 52.83 2dj3 s LEU 29 Cb -0.14 -2.49 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 2dj3 s LEU 29 CO 0.00 -1.13 0.52 -0.51 -1.32 0.00 0.00 176.35 173.91 2dj3 s ILE 30 N 3.23 5.06 -0.26 6.68 1.10 -0.04 -1.06 121.20 135.91 2dj3 s ILE 30 Ca 0.19 1.06 0.01 0.00 -0.51 0.00 0.00 60.65 61.40 2dj3 s ILE 30 Cb -0.18 -3.85 0.07 0.00 0.15 0.00 0.00 42.46 38.64 2dj3 s ILE 30 CO 0.12 0.39 -0.03 -0.70 -2.11 0.00 0.00 174.94 172.61 2dj3 s GLU 31 N 0.12 1.60 -0.51 3.50 2.12 -0.83 0.64 118.70 125.34 2dj3 s GLU 31 Ca 0.28 -1.19 -0.28 0.00 0.36 0.00 0.00 54.97 54.14 2dj3 s GLU 31 Cb -0.16 -2.67 0.01 0.00 0.26 0.00 0.00 34.13 31.57 2dj3 s GLU 31 CO 0.13 -0.68 1.42 -0.06 -0.54 0.00 0.00 175.26 175.53 2dj3 s PHE 32 N 1.30 2.32 0.18 5.30 0.08 0.35 -2.33 117.98 125.18 2dj3 s PHE 32 Ca -0.02 0.56 0.06 0.00 0.12 0.00 0.00 56.93 57.64 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 -1.97 0.12 1.52 -0.10 0.00 0.00 175.22 174.71 2dj3 s TYR 33 N 5.86 3.07 -0.13 0.36 -0.85 -0.80 -2.28 117.35 122.59 2dj3 s TYR 33 Ca 0.56 -0.06 0.03 0.00 -0.52 0.00 0.00 57.07 57.08 2dj3 s TYR 33 Cb -0.12 -1.46 0.01 0.00 0.38 0.00 0.00 41.96 40.77 2dj3 s TYR 33 CO 0.28 0.52 -0.23 0.00 -1.52 0.00 0.00 175.55 174.61 2dj3 s ALA 34 N -1.84 2.22 -2.00 9.51 0.00 -1.26 -4.17 121.76 124.22 2dj3 s ALA 34 Ca 0.31 -1.05 0.14 0.00 0.00 0.00 0.00 51.96 51.36 2dj3 s ALA 34 Cb -0.09 -0.93 0.84 0.00 0.00 0.00 0.00 23.12 22.94 2dj3 s ALA 34 CO 0.23 0.08 1.26 -0.35 0.00 0.00 0.00 175.76 176.98 2dj3 n PRO 35 N 3.88 0.49 -0.10 0.00 -0.04 -1.26 -1.97 135.00 136.01 2dj3 n PRO 35 Ca -0.20 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.34 2dj3 n PRO 35 Cb 0.52 -1.45 0.11 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 -0.95 0.00 -4.90 0.54 4.27 -1.26 -5.02 117.44 110.12 2dj3 n TRP 36 Ca 0.11 -0.82 -0.33 0.00 -3.89 0.00 0.00 57.50 52.57 2dj3 n TRP 36 Cb 0.05 -0.12 -0.14 0.00 -1.36 0.00 0.00 31.31 29.73 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 6.06 0.82 1.40 0.00 0.00 -1.95 -3.05 103.07 106.35 2dj3 h GLY 38 Ca -0.35 -1.06 0.04 0.00 0.00 0.00 0.00 47.33 45.97 2dj3 h GLY 38 CO 0.52 0.94 0.26 0.45 0.00 0.00 0.00 176.54 178.71 2dj3 h HIS 39 N 0.46 0.00 -0.17 5.60 3.86 -1.95 0.17 115.15 123.12 2dj3 h HIS 39 Ca -0.02 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.98 2dj3 h HIS 39 Cb 1.21 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.69 2dj3 h HIS 39 CO 0.09 0.00 -0.74 0.00 0.86 0.00 0.00 177.93 178.14 2dj3 h LYS 41 N 0.54 1.18 -0.02 0.00 1.57 -1.04 0.73 116.57 119.54 2dj3 h LYS 41 Ca -0.04 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.49 2dj3 h LYS 41 Cb 1.37 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 2dj3 h LYS 41 CO 0.15 0.79 -0.77 -0.56 -0.57 0.00 0.00 179.45 178.49 2dj3 h GLN 42 N 1.21 0.16 0.00 3.15 3.07 -1.54 -3.08 115.11 118.09 2dj3 h GLN 42 Ca 0.33 -0.15 0.00 0.00 0.09 0.00 0.00 58.65 58.91 2dj3 h GLN 42 Cb -0.13 0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.47 2dj3 h GLN 42 CO -0.07 0.85 -0.28 1.25 0.09 0.00 0.00 178.83 180.67 2dj3 h LEU 43 N 0.10 0.00 -0.50 0.06 5.85 -0.79 -3.36 115.31 116.68 2dj3 h LEU 43 Ca -0.03 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.71 2dj3 h LEU 43 Cb 1.35 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.29 2dj3 h LEU 43 CO 0.11 0.03 -0.49 -0.33 -0.34 0.00 0.00 178.44 177.42 2dj3 h GLU 44 N 0.00 -0.29 -0.01 1.25 4.39 0.56 0.37 114.58 120.84 2dj3 h GLU 44 Ca 0.00 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 2dj3 h GLU 44 Cb 0.85 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 2dj3 h GLU 44 CO 0.00 -0.20 -0.49 -1.00 -1.16 0.00 0.00 179.01 176.17 2dj3 h PRO 45 N -0.31 0.01 -0.55 2.33 0.13 -1.75 -1.90 132.00 129.97 2dj3 h PRO 45 Ca 0.13 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.14 2dj3 h PRO 45 Cb 0.57 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 2dj3 h PRO 45 CO -0.64 0.50 -0.09 0.82 -0.23 0.00 0.00 178.00 178.35 2dj3 h ILE 46 N 0.01 1.27 0.10 -3.56 2.04 -1.23 -3.04 117.51 113.09 2dj3 h ILE 46 Ca -0.00 -1.24 -0.29 0.00 1.00 0.00 0.00 64.86 64.32 2dj3 h ILE 46 Cb 0.87 0.94 0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2dj3 h ILE 46 CO 0.06 0.44 -1.21 0.22 0.00 0.00 0.00 178.15 177.66 2dj3 h TYR 47 N 0.91 1.03 -0.27 1.37 3.20 -0.27 -3.09 116.97 119.86 2dj3 h TYR 47 Ca 0.15 -0.63 0.04 0.00 3.14 0.00 0.00 58.73 61.43 2dj3 h TYR 47 Cb 0.65 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 2dj3 h TYR 47 CO 0.04 1.47 -0.52 1.15 -1.64 0.00 0.00 178.16 178.66 2dj3 h THR 48 N 0.31 0.03 -0.90 1.81 2.02 -1.31 -0.55 112.91 114.32 2dj3 h THR 48 Ca -0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2dj3 h THR 48 Cb 1.88 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 2dj3 h THR 48 CO 0.23 0.00 0.57 0.28 0.37 0.00 0.00 175.52 176.97 2dj3 h SER 49 N -0.48 1.05 -0.09 4.18 0.02 -1.66 -0.25 113.55 116.33 2dj3 h SER 49 Ca 0.07 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2dj3 h SER 49 Cb 0.64 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2dj3 h SER 49 CO -0.51 0.79 0.12 0.25 -1.14 0.00 0.00 176.83 176.34 2dj3 h LEU 50 N 1.23 0.00 0.00 5.07 5.85 -1.07 -0.84 115.31 125.54 2dj3 h LEU 50 Ca 0.33 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.00 2dj3 h LEU 50 Cb -0.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2dj3 h LEU 50 CO -0.07 0.00 -0.91 0.61 -0.34 0.00 0.00 178.44 177.73 2dj3 n GLY 51 N -1.33 -0.73 0.41 3.75 0.00 -0.40 -3.19 105.19 103.69 2dj3 n GLY 51 Ca -0.01 -0.22 0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.00 0.00 0.18 1.61 2.10 -1.07 1.24 116.57 119.63 2dj3 h LYS 52 Ca -0.07 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.23 2dj3 h LYS 52 Cb 0.85 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.19 2dj3 h LYS 52 CO -0.04 0.00 -1.79 1.57 -2.00 0.00 0.00 179.45 177.19 2dj3 h LYS 53 N 0.00 0.38 -0.01 0.07 2.10 -1.34 -3.33 116.57 114.44 2dj3 h LYS 53 Ca 0.23 -0.65 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2dj3 h LYS 53 Cb 1.32 0.24 0.00 0.00 -0.90 0.00 0.00 32.23 32.89 2dj3 h LYS 53 CO -0.00 1.31 -0.03 0.66 -2.00 0.00 0.00 179.45 179.39 2dj3 n TYR 54 N -3.58 0.00 0.26 0.07 4.02 0.33 -3.86 117.16 114.40 2dj3 n TYR 54 Ca -0.26 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.74 2dj3 n TYR 54 Cb 1.07 -0.02 0.70 0.00 -0.02 0.00 0.00 39.34 41.07 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 1.60 0.00 -0.89 -0.72 1.79 0.13 -1.95 116.57 116.53 2dj3 h LYS 55 Ca 0.00 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.06 2dj3 h LYS 55 Cb 0.37 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 30.78 2dj3 h LYS 55 CO 0.00 0.10 0.50 0.41 -1.08 0.00 0.00 179.45 179.39 2dj3 n GLY 56 N -0.99 4.29 3.99 3.86 0.00 -1.25 -4.94 105.19 110.14 2dj3 n GLY 56 Ca -0.02 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.21 1.27 -0.34 1.61 -0.44 -0.73 -5.03 119.66 112.78 2dj3 s GLN 57 Ca 0.56 -1.06 -0.25 0.00 -2.50 0.00 0.00 55.36 52.10 2dj3 s GLN 57 Cb 0.46 -2.21 0.01 0.00 -1.64 0.00 0.00 33.01 29.64 2dj3 s GLN 57 CO 0.11 -1.79 0.89 0.21 0.50 0.00 0.00 175.29 175.21 2dj3 s LYS 58 N -5.36 3.90 -1.39 1.67 2.47 -1.26 -4.18 119.74 115.59 2dj3 s LYS 58 Ca 0.70 0.63 -0.11 0.00 -1.56 0.00 0.00 55.97 55.63 2dj3 s LYS 58 Cb -0.04 -3.77 0.01 0.00 -1.46 0.00 0.00 37.83 32.57 2dj3 s LYS 58 CO 0.47 -0.84 0.36 -0.25 0.16 0.00 0.00 175.35 175.25 2dj3 n ASP 59 N 6.56 -1.27 -3.73 1.43 8.00 -1.26 -4.88 116.55 121.40 2dj3 n ASP 59 Ca 0.06 -1.18 -0.15 0.00 0.71 0.00 0.00 54.79 54.23 2dj3 n ASP 59 Cb 0.48 -2.21 -0.15 0.00 -0.02 0.00 0.00 41.12 39.22 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 -7.19 0.61 -0.22 0.64 2.96 -1.26 -1.68 118.68 112.53 2dj3 s LEU 60 Ca 0.17 0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 54.27 2dj3 s LEU 60 Cb -0.08 0.22 0.08 0.00 0.50 0.00 0.00 46.19 46.91 2dj3 s LEU 60 CO 0.95 -0.17 0.11 -0.69 -1.32 0.00 0.00 176.35 175.23 2dj3 s VAL 61 N 1.43 -0.09 -0.36 1.68 1.01 -1.15 -4.53 120.40 118.39 2dj3 s VAL 61 Ca -0.06 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 2dj3 s VAL 61 Cb -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2dj3 s VAL 61 CO -0.05 -0.48 1.41 -0.63 0.00 0.00 0.00 175.10 175.35 2dj3 s ILE 62 N 2.13 3.94 0.37 2.22 1.01 -1.26 -3.05 121.20 126.56 2dj3 s ILE 62 Ca 0.05 1.01 0.08 0.00 0.00 0.00 0.00 60.65 61.79 2dj3 s ILE 62 Cb -0.16 -4.12 -0.07 0.00 0.01 0.00 0.00 42.46 38.11 2dj3 s ILE 62 CO -0.22 -0.61 -0.04 0.00 0.00 0.00 0.00 174.94 174.07 2dj3 s ALA 63 N 5.13 3.04 0.06 9.38 0.00 -0.22 -2.74 121.76 136.40 2dj3 s ALA 63 Ca 0.61 -2.19 0.01 0.00 0.00 0.00 0.00 51.96 50.39 2dj3 s ALA 63 Cb -0.16 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2dj3 s ALA 63 CO 0.29 -0.02 -0.05 -1.59 0.00 0.00 0.00 175.76 174.39 2dj3 s LYS 64 N -3.66 0.63 0.03 0.00 -2.85 0.14 -1.96 119.74 112.07 2dj3 s LYS 64 Ca 0.34 -1.09 -0.09 0.00 -1.00 0.00 0.00 55.97 54.13 2dj3 s LYS 64 Cb 0.06 -0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 2dj3 s LYS 64 CO 0.17 -0.04 0.19 1.41 0.10 0.00 0.00 175.35 177.18 2dj3 s MET 65 N -3.10 0.67 -0.89 1.78 1.75 -0.99 -0.18 119.30 118.34 2dj3 s MET 65 Ca 0.02 -0.60 -0.14 0.00 -1.25 0.00 0.00 55.69 53.72 2dj3 s MET 65 Cb 0.01 0.28 0.22 0.00 2.84 0.00 0.00 34.83 38.18 2dj3 s MET 65 CO -0.05 -0.19 0.88 -0.51 -0.65 0.00 0.00 175.02 174.50 2dj3 s ASP 66 N -2.00 6.84 0.65 1.11 1.11 -1.26 -1.91 116.67 121.21 2dj3 s ASP 66 Ca -0.06 -2.77 0.32 0.00 0.18 0.00 0.00 52.55 50.22 2dj3 s ASP 66 Cb -0.02 -2.24 1.75 0.00 1.07 0.00 0.00 42.92 43.48 2dj3 s ASP 66 CO -0.03 -0.59 2.00 0.00 1.18 0.00 0.00 175.17 177.73 2dj3 h ALA 67 N 7.71 1.39 0.00 5.23 0.00 -1.75 0.16 119.26 132.01 2dj3 h ALA 67 Ca 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2dj3 h ALA 67 Cb 1.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2dj3 h ALA 67 CO 0.84 -0.31 -0.21 1.79 0.00 0.00 0.00 179.25 181.36 2dj3 h THR 68 N 0.00 1.10 0.00 0.00 1.35 -1.90 -3.30 112.91 110.17 2dj3 h THR 68 Ca 0.03 -0.73 -0.29 0.00 -0.55 0.00 0.00 66.41 64.86 2dj3 h THR 68 Cb 0.59 1.40 -0.05 0.00 -1.73 0.00 0.00 68.15 68.36 2dj3 h THR 68 CO -0.00 0.21 -2.04 0.00 -0.25 0.00 0.00 175.52 173.44 2dj3 n ALA 69 N -2.48 1.68 -2.66 6.62 0.00 0.41 -4.97 120.51 119.11 2dj3 n ALA 69 Ca -0.02 -0.76 -0.39 0.00 0.00 0.00 0.00 53.44 52.27 2dj3 n ALA 69 Cb 0.27 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 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 -6.18 6.89 -0.32 0.00 0.01 -0.20 -5.04 114.94 110.10 2dj3 s ASN 70 Ca -0.25 1.06 -0.20 0.00 -0.71 0.00 0.00 52.86 52.76 2dj3 s ASN 70 Cb 0.08 -2.36 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 2dj3 s ASN 70 CO 0.38 -0.03 0.61 -1.81 -1.51 0.00 0.00 177.10 174.74 2dj3 s ASP 71 N 0.50 6.45 -1.14 -1.22 1.01 -1.26 -4.32 116.67 116.69 2dj3 s ASP 71 Ca 0.32 0.32 -0.21 0.00 0.71 0.00 0.00 52.55 53.69 2dj3 s ASP 71 Cb -0.17 -2.32 0.02 0.00 1.01 0.00 0.00 42.92 41.46 2dj3 s ASP 71 CO 0.15 -0.49 1.71 -0.63 0.21 0.00 0.00 175.17 176.13 2dj3 s ILE 72 N 2.59 3.87 0.40 0.77 1.01 -1.26 -4.80 121.20 123.78 2dj3 s ILE 72 Ca 0.24 -1.18 0.16 0.00 0.00 0.00 0.00 60.65 59.87 2dj3 s ILE 72 Cb -0.15 -4.88 0.37 0.00 0.01 0.00 0.00 42.46 37.81 2dj3 s ILE 72 CO 0.12 -1.67 1.84 0.71 0.00 0.00 0.00 174.94 175.95 2dj3 h THR 73 N 6.28 0.68 -2.67 2.92 1.35 -1.94 -3.42 112.91 116.12 2dj3 h THR 73 Ca 0.28 -0.16 -0.60 0.00 -0.55 0.00 0.00 66.41 65.39 2dj3 h THR 73 Cb 0.94 0.19 0.12 0.00 -1.73 0.00 0.00 68.15 67.67 2dj3 h THR 73 CO 1.37 0.08 0.10 0.59 -0.25 0.00 0.00 175.52 177.41 2dj3 n ASN 74 N -4.54 1.11 -1.18 5.36 3.02 -1.26 -4.88 115.26 112.88 2dj3 n ASN 74 Ca 0.20 1.11 0.10 0.00 -0.03 0.00 0.00 54.58 55.96 2dj3 n ASN 74 Cb 0.68 -1.30 0.28 0.00 -0.61 0.00 0.00 39.78 38.84 2dj3 n ASN 74 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2dj3 n ASP 75 N 0.99 3.44 -0.10 6.41 2.03 -1.26 -4.15 116.55 123.90 2dj3 n ASP 75 Ca 0.10 -2.00 -0.13 0.00 0.52 0.00 0.00 54.79 53.28 2dj3 n ASP 75 Cb 0.35 -0.42 -0.12 0.00 -0.72 0.00 0.00 41.12 40.21 2dj3 n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dj3 n GLN 76 N 1.39 0.81 -3.54 -0.67 1.13 -1.26 -4.86 117.38 110.37 2dj3 n GLN 76 Ca 0.21 0.07 -0.41 0.00 -1.94 0.00 0.00 57.00 54.93 2dj3 n GLN 76 Cb 0.55 -1.46 -0.10 0.00 0.11 0.00 0.00 30.24 29.34 2dj3 n GLN 76 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2dj3 s TYR 77 N -2.45 3.28 -0.04 1.08 1.51 -1.26 -4.74 117.35 114.73 2dj3 s TYR 77 Ca -0.21 -1.18 0.07 0.00 -1.01 0.00 0.00 57.07 54.74 2dj3 s TYR 77 Cb 0.07 -2.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.06 2dj3 s TYR 77 CO 0.63 -0.77 -0.25 0.15 -1.11 0.00 0.00 175.55 174.20 2dj3 s LYS 78 N 1.52 2.34 -0.50 -0.62 1.02 -1.26 -4.83 119.74 117.41 2dj3 s LYS 78 Ca 0.03 -0.91 -0.15 0.00 0.02 0.00 0.00 55.97 54.95 2dj3 s LYS 78 Cb -0.22 -2.11 0.10 0.00 -0.52 0.00 0.00 37.83 35.08 2dj3 s LYS 78 CO 0.05 0.47 0.44 0.08 -0.92 0.00 0.00 175.35 175.47 2dj3 s VAL 79 N -0.39 5.16 -0.22 3.17 1.01 -1.26 -4.89 120.40 122.98 2dj3 s VAL 79 Ca 0.03 -1.32 0.14 0.00 0.00 0.00 0.00 61.98 60.84 2dj3 s VAL 79 Cb -0.12 -4.21 0.56 0.00 0.00 0.00 0.00 36.38 32.62 2dj3 s VAL 79 CO 0.01 -0.73 1.49 -0.62 0.00 0.00 0.00 175.10 175.25 2dj3 n GLU 80 N 5.21 2.88 0.00 2.72 1.02 -1.26 -4.97 120.64 126.24 2dj3 n GLU 80 Ca -0.13 -2.95 0.00 0.00 -0.02 0.00 0.00 57.16 54.06 2dj3 n GLU 80 Cb 0.42 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 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 -0.55 3.50 3.91 0.62 0.00 -1.26 -5.16 105.19 106.24 2dj3 n GLY 81 Ca 0.26 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 1.04 1.61 0.40 -1.26 -4.03 117.98 119.23 2dj3 s PHE 82 Ca 0.00 0.42 -0.13 0.00 -0.60 0.00 0.00 56.93 56.62 2dj3 s PHE 82 Cb 0.00 -1.90 0.21 0.00 0.51 0.00 0.00 43.02 41.84 2dj3 s PHE 82 CO 0.00 0.50 1.09 -1.25 0.70 0.00 0.00 175.22 176.27 2dj3 s PRO 83 N -2.59 0.11 -0.23 0.24 0.04 -1.26 -4.91 135.00 126.40 2dj3 s PRO 83 Ca 0.38 0.41 -0.03 0.00 0.04 0.00 0.00 61.00 61.81 2dj3 s PRO 83 Cb -0.12 -1.71 0.11 0.00 0.04 0.00 0.00 34.50 32.82 2dj3 s PRO 83 CO 0.26 -2.93 0.30 0.99 0.04 0.00 0.00 177.00 175.66 2dj3 s THR 84 N -2.97 -0.46 -0.05 1.26 2.01 -0.97 -5.01 115.64 109.46 2dj3 s THR 84 Ca 0.66 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.53 2dj3 s THR 84 Cb -0.18 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 2dj3 s THR 84 CO 0.58 -0.18 0.03 -0.63 -0.69 0.00 0.00 174.62 173.72 2dj3 s ILE 85 N 2.43 4.44 0.00 1.82 1.01 -1.26 0.13 121.20 129.77 2dj3 s ILE 85 Ca 0.10 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.42 2dj3 s ILE 85 Cb -0.15 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.38 2dj3 s ILE 85 CO -0.15 0.50 -0.02 -0.31 0.00 0.00 0.00 174.94 174.96 2dj3 s TYR 86 N -1.00 0.18 -0.32 3.97 2.02 0.21 -2.52 117.35 119.89 2dj3 s TYR 86 Ca 0.17 -0.06 -0.06 0.00 -0.37 0.00 0.00 57.07 56.74 2dj3 s TYR 86 Cb -0.12 -0.12 0.03 0.00 -0.40 0.00 0.00 41.96 41.36 2dj3 s TYR 86 CO 0.06 -0.01 0.08 0.12 -1.57 0.00 0.00 175.55 174.23 2dj3 s PHE 87 N -0.13 3.20 -0.61 2.71 2.19 -0.53 -0.86 117.98 123.96 2dj3 s PHE 87 Ca -0.00 -1.28 -0.13 0.00 0.33 0.00 0.00 56.93 55.84 2dj3 s PHE 87 Cb -0.01 -2.25 0.15 0.00 -1.31 0.00 0.00 43.02 39.60 2dj3 s PHE 87 CO -0.00 -0.68 0.53 0.00 1.83 0.00 0.00 175.22 176.91 2dj3 s ALA 88 N 1.43 3.70 -0.18 11.12 0.00 -0.96 -2.83 121.76 134.04 2dj3 s ALA 88 Ca -0.00 -2.79 -0.29 0.00 0.00 0.00 0.00 51.96 48.88 2dj3 s ALA 88 Cb -0.18 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 2dj3 s ALA 88 CO 0.02 -2.07 1.58 -1.25 0.00 0.00 0.00 175.76 174.04 2dj3 s PRO 89 N 1.07 3.93 -0.67 0.00 0.04 -1.26 -1.87 135.00 136.23 2dj3 s PRO 89 Ca 0.08 1.77 -0.33 0.00 0.04 0.00 0.00 61.00 62.56 2dj3 s PRO 89 Cb -0.23 -3.99 -0.16 0.00 0.04 0.00 0.00 34.50 30.15 2dj3 s PRO 89 CO -0.01 -1.13 2.43 -1.13 0.04 0.00 0.00 177.00 177.20 2dj3 n SER 90 N 7.96 1.16 0.00 6.66 3.41 -1.26 -0.77 113.62 130.78 2dj3 n SER 90 Ca 0.18 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2dj3 n SER 90 Cb 0.45 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 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 6.60 3.36 2.04 5.00 0.00 -1.26 -4.82 105.19 116.10 2dj3 n GLY 91 Ca 0.53 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 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 5.04 0.25 1.61 2.03 0.05 -4.63 116.55 120.91 2dj3 n ASP 92 Ca 0.00 -3.73 0.13 0.00 0.52 0.00 0.00 54.79 51.71 2dj3 n ASP 92 Cb 0.00 -0.80 0.78 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 1.49 0.00 -0.08 -0.67 1.57 -1.76 -1.76 116.57 115.36 2dj3 h LYS 93 Ca 0.52 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.32 2dj3 h LYS 93 Cb 1.76 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.06 2dj3 h LYS 93 CO 1.11 0.00 0.56 0.87 -0.57 0.00 0.00 179.45 181.42 2dj3 h LYS 94 N 0.00 0.00 -3.67 3.15 1.79 -1.89 -3.18 116.57 112.77 2dj3 h LYS 94 Ca 0.02 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.85 2dj3 h LYS 94 Cb 0.12 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.36 2dj3 h LYS 94 CO -0.00 0.00 -0.64 -0.80 -1.08 0.00 0.00 179.45 176.93 2dj3 s ASN 95 N -4.07 4.45 0.21 0.86 0.01 -0.66 -4.94 114.94 110.79 2dj3 s ASN 95 Ca -0.02 -2.82 -0.30 0.00 -0.71 0.00 0.00 52.86 49.00 2dj3 s ASN 95 Cb 0.07 -1.65 -0.09 0.00 0.41 0.00 0.00 41.25 40.00 2dj3 s ASN 95 CO 0.23 -0.27 1.29 -2.16 -1.51 0.00 0.00 177.10 174.68 2dj3 s PRO 96 N -0.03 4.40 -0.46 -0.60 0.04 -1.20 -4.81 135.00 132.33 2dj3 s PRO 96 Ca 0.16 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 2dj3 s PRO 96 Cb -0.24 -3.19 0.12 0.00 0.04 0.00 0.00 34.50 31.23 2dj3 s PRO 96 CO -0.02 -0.22 0.30 0.42 0.04 0.00 0.00 177.00 177.52 2dj3 s ILE 97 N -0.06 3.77 0.55 0.56 1.01 -1.13 -4.93 121.20 120.97 2dj3 s ILE 97 Ca 0.55 -2.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.00 2dj3 s ILE 97 Cb -0.36 -3.52 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 2dj3 s ILE 97 CO 0.39 -0.75 1.04 -0.75 0.00 0.00 0.00 174.94 174.87 2dj3 s LYS 98 N 1.11 3.59 -0.50 2.79 2.20 -1.26 -1.45 119.74 126.21 2dj3 s LYS 98 Ca 0.08 1.20 -0.17 0.00 -0.36 0.00 0.00 55.97 56.72 2dj3 s LYS 98 Cb -0.24 -2.07 0.08 0.00 -1.51 0.00 0.00 37.83 34.09 2dj3 s LYS 98 CO -0.03 -0.59 0.48 0.12 -0.36 0.00 0.00 175.35 174.97 2dj3 s PHE 99 N -2.36 3.19 -0.44 4.03 5.36 -1.05 -4.92 117.98 121.80 2dj3 s PHE 99 Ca 0.64 -0.92 0.04 0.00 -0.96 0.00 0.00 56.93 55.72 2dj3 s PHE 99 Cb -0.15 -3.42 0.45 0.00 -0.34 0.00 0.00 43.02 39.56 2dj3 s PHE 99 CO 0.31 -0.92 1.45 0.39 -1.46 0.00 0.00 175.22 174.98 2dj3 n GLU 100 N 5.48 3.31 -0.20 10.12 1.02 -1.26 -4.78 120.64 134.33 2dj3 n GLU 100 Ca -0.11 -3.95 -0.03 0.00 -0.02 0.00 0.00 57.16 53.05 2dj3 n GLU 100 Cb 0.43 -2.28 0.02 0.00 -0.02 0.00 0.00 31.44 29.59 2dj3 n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dj3 n GLY 101 N -0.73 2.35 5.39 0.62 0.00 -1.26 -4.92 105.19 106.65 2dj3 n GLY 101 Ca 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2dj3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dj3 n GLY 102 N 0.46 0.27 3.60 -0.02 0.00 -1.26 -4.61 105.19 103.63 2dj3 n GLY 102 Ca 0.06 0.45 -0.45 0.00 0.00 0.00 0.00 46.02 46.09 2dj3 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dj3 n ASN 103 N 1.81 3.26 -3.72 1.61 3.02 -1.26 -4.86 115.26 115.12 2dj3 n ASN 103 Ca 0.00 0.48 -0.42 0.00 -0.03 0.00 0.00 54.58 54.61 2dj3 n ASN 103 Cb 0.00 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.70 2dj3 n ASN 103 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2dj3 n ARG 104 N 8.13 3.85 -4.40 3.52 3.00 -1.26 -4.71 116.66 124.79 2dj3 n ARG 104 Ca 0.29 -3.39 -0.27 0.00 -0.00 0.00 0.00 57.85 54.48 2dj3 n ARG 104 Cb 0.38 -2.86 -0.09 0.00 0.00 0.00 0.00 32.46 29.89 2dj3 n ARG 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2dj3 s ASP 105 N 0.91 4.13 0.29 6.15 1.01 -1.26 -4.91 116.67 122.99 2dj3 s ASP 105 Ca 0.45 -1.24 0.05 0.00 0.71 0.00 0.00 52.55 52.52 2dj3 s ASP 105 Cb 0.13 -0.42 0.45 0.00 1.01 0.00 0.00 42.92 44.09 2dj3 s ASP 105 CO -0.03 -0.50 1.72 0.25 0.21 0.00 0.00 175.17 176.82 2dj3 h LEU 106 N 1.61 0.35 -0.50 1.23 5.85 -1.92 0.15 115.31 122.08 2dj3 h LEU 106 Ca -0.43 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.07 2dj3 h LEU 106 Cb 1.25 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2dj3 h LEU 106 CO 0.76 0.67 -0.02 -0.33 -0.34 0.00 0.00 178.44 179.18 2dj3 h GLU 107 N 0.30 0.89 0.02 1.25 4.39 -1.96 -0.47 114.58 119.00 2dj3 h GLU 107 Ca 0.04 -0.29 -0.25 0.00 0.34 0.00 0.00 59.36 59.20 2dj3 h GLU 107 Cb 0.73 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2dj3 h GLU 107 CO 0.06 0.93 -1.02 0.45 -1.16 0.00 0.00 179.01 178.27 2dj3 h HIS 108 N 0.75 0.76 0.31 4.33 3.86 -1.81 -2.95 115.15 120.41 2dj3 h HIS 108 Ca 0.14 -0.43 -0.02 0.00 -1.16 0.00 0.00 60.37 58.91 2dj3 h HIS 108 Cb 0.54 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2dj3 h HIS 108 CO 0.04 1.26 -0.15 -0.07 0.86 0.00 0.00 177.93 179.87 2dj3 h LEU 109 N 0.27 -0.36 -1.58 2.43 3.38 -0.90 -2.20 115.31 116.35 2dj3 h LEU 109 Ca -0.11 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.83 2dj3 h LEU 109 Cb 1.67 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.47 2dj3 h LEU 109 CO 0.18 -0.06 0.42 0.77 0.09 0.00 0.00 178.44 179.85 2dj3 h SER 110 N -0.66 0.43 1.23 -0.43 4.64 -1.19 0.32 113.55 117.88 2dj3 h SER 110 Ca -0.04 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2dj3 h SER 110 Cb 0.47 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2dj3 h SER 110 CO 0.07 0.26 0.00 0.11 -0.87 0.00 0.00 176.83 176.40 2dj3 h LYS 111 N 0.47 0.00 0.02 4.77 1.57 -1.35 -2.67 116.57 119.39 2dj3 h LYS 111 Ca 0.29 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.73 2dj3 h LYS 111 Cb 0.51 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 2dj3 h LYS 111 CO -0.09 0.00 -2.05 0.34 -0.57 0.00 0.00 179.45 177.08 2dj3 n PHE 112 N -2.84 0.63 0.07 -1.35 -0.00 0.85 -4.23 117.46 110.60 2dj3 n PHE 112 Ca 0.02 0.20 -0.03 0.00 -0.00 0.00 0.00 57.45 57.64 2dj3 n PHE 112 Cb 0.35 -1.11 -0.01 0.00 -0.00 0.00 0.00 39.48 38.71 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 0.01 0.00 -0.71 -2.13 2.04 -0.72 -3.25 117.51 112.75 2dj3 h ILE 113 Ca -0.42 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.40 2dj3 h ILE 113 Cb 2.07 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 38.03 2dj3 h ILE 113 CO 0.05 0.00 -0.24 0.47 0.00 0.00 0.00 178.15 178.42 2dj3 n ASP 114 N -2.96 -0.39 -0.25 1.72 8.00 -1.02 0.14 116.55 121.79 2dj3 n ASP 114 Ca -0.02 1.23 0.01 0.00 0.71 0.00 0.00 54.79 56.71 2dj3 n ASP 114 Cb 0.08 -0.31 0.08 0.00 -0.02 0.00 0.00 41.12 40.94 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 -0.01 0.00 -1.24 5.08 -1.73 0.96 114.58 117.63 2dj3 h GLU 115 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2dj3 h GLU 115 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2dj3 h GLU 115 CO -0.71 -0.01 -0.41 0.72 -1.00 0.00 0.00 179.01 177.60 2dj3 n HIS 116 N -5.48 0.49 -0.83 4.33 8.25 0.36 -3.53 115.22 118.81 2dj3 n HIS 116 Ca 0.09 0.14 0.08 0.00 -0.26 0.00 0.00 57.72 57.77 2dj3 n HIS 116 Cb 0.37 -0.64 0.34 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.73 3.36 -0.70 -1.41 0.00 0.32 -4.42 120.51 115.93 2dj3 n ALA 117 Ca 0.05 -1.92 -0.07 0.00 0.00 0.00 0.00 53.44 51.49 2dj3 n ALA 117 Cb 0.41 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 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 0.42 2.16 -3.25 0.00 5.66 0.28 -4.51 114.28 115.04 2dj3 n THR 118 Ca 0.25 -1.01 -0.20 0.00 -3.05 0.00 0.00 64.05 60.04 2dj3 n THR 118 Cb 1.00 -1.79 0.05 0.00 -1.55 0.00 0.00 70.33 68.05 2dj3 n THR 118 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dj3 n LYS 119 N 2.42 -5.85 -0.25 1.09 5.02 -1.26 -4.85 118.16 114.48 2dj3 n LYS 119 Ca 0.27 0.72 0.12 0.00 -2.02 0.00 0.00 58.31 57.39 2dj3 n LYS 119 Cb 0.65 -5.33 0.23 0.00 -0.02 0.00 0.00 35.03 30.55 2dj3 n LYS 119 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2dj3 n ARG 120 N -4.02 -0.06 -3.14 1.97 3.00 -1.26 -0.65 116.66 112.51 2dj3 n ARG 120 Ca -0.03 1.07 -0.26 0.00 -0.00 0.00 0.00 57.85 58.63 2dj3 n ARG 120 Cb 0.57 -1.71 -0.05 0.00 0.00 0.00 0.00 32.46 31.26 2dj3 n ARG 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dj3 n SER 121 N -4.96 3.83 -4.51 6.15 2.88 -1.26 -5.08 113.62 110.67 2dj3 n SER 121 Ca 0.18 -3.52 -0.51 0.00 -1.33 0.00 0.00 58.87 53.68 2dj3 n SER 121 Cb 0.58 -0.61 -0.05 0.00 -0.75 0.00 0.00 64.21 63.39 2dj3 n SER 121 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2dj3 n ARG 122 N 0.24 0.51 -4.19 -1.46 0.63 0.18 -4.97 116.66 107.59 2dj3 n ARG 122 Ca 0.30 0.18 -0.12 0.00 -0.92 0.00 0.00 57.85 57.29 2dj3 n ARG 122 Cb 0.42 -1.53 -0.10 0.00 0.45 0.00 0.00 32.46 31.70 2dj3 n ARG 122 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2dj3 s THR 123 N -0.41 0.84 -0.28 5.15 2.01 -1.26 -5.04 115.64 116.65 2dj3 s THR 123 Ca 0.75 -1.96 -0.05 0.00 0.31 0.00 0.00 61.69 60.74 2dj3 s THR 123 Cb -0.99 -1.71 -0.11 0.00 0.01 0.00 0.00 72.50 69.71 2dj3 s THR 123 CO 0.55 -0.82 3.20 0.29 -0.69 0.00 0.00 174.62 177.15 2dj3 n LYS 124 N -0.05 2.30 -3.90 4.92 5.02 -1.26 -4.74 118.16 120.44 2dj3 n LYS 124 Ca -0.12 -1.70 -0.30 0.00 -2.02 0.00 0.00 58.31 54.17 2dj3 n LYS 124 Cb 0.61 -2.10 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 2dj3 n LYS 124 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dj3 s GLU 125 N -0.23 1.81 -0.15 1.97 2.02 -1.26 -5.08 118.70 117.77 2dj3 s GLU 125 Ca 0.63 -2.46 -0.02 0.00 0.02 0.00 0.00 54.97 53.15 2dj3 s GLU 125 Cb 0.34 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 2dj3 s GLU 125 CO -0.10 -1.11 -0.09 -1.83 0.02 0.00 0.00 175.26 172.14 2dj3 s GLU 126 N -0.10 3.45 -0.13 1.61 1.03 -1.26 -5.04 118.70 118.25 2dj3 s GLU 126 Ca 0.17 -0.64 -0.08 0.00 0.03 0.00 0.00 54.97 54.46 2dj3 s GLU 126 Cb -0.25 -2.77 -0.04 0.00 -0.80 0.00 0.00 34.13 30.26 2dj3 s GLU 126 CO -0.00 0.14 0.14 -0.51 -1.33 0.00 0.00 175.26 173.69 2dj3 s LEU 127 N 0.58 4.36 0.06 1.83 1.43 -1.26 -5.10 118.68 120.58 2dj3 s LEU 127 Ca -0.06 0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 53.45 2dj3 s LEU 127 Cb -0.15 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 2dj3 s LEU 127 CO 0.03 0.36 0.25 -0.44 0.23 0.00 0.00 176.35 176.78 2dj3 s SER 128 N -0.76 6.41 -0.36 2.29 0.01 -1.26 -5.05 113.70 114.98 2dj3 s SER 128 Ca 0.14 0.40 -0.04 0.00 1.31 0.00 0.00 55.95 57.75 2dj3 s SER 128 Cb -0.12 -2.02 0.22 0.00 0.21 0.00 0.00 66.02 64.32 2dj3 s SER 128 CO 0.03 0.17 1.08 0.61 0.41 0.00 0.00 173.24 175.54 2dj3 n GLY 129 N 0.49 -1.54 3.56 3.44 0.00 -1.26 -5.10 105.19 104.78 2dj3 n GLY 129 Ca -0.06 1.13 -0.30 0.00 0.00 0.00 0.00 46.02 46.79 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 0.82 2.57 0.44 1.61 0.04 -1.26 -4.96 135.00 134.26 2dj3 s PRO 130 Ca 0.25 -0.06 -0.00 0.00 0.04 0.00 0.00 61.00 61.22 2dj3 s PRO 130 Cb 0.13 -4.89 -0.01 0.00 0.04 0.00 0.00 34.50 29.77 2dj3 s PRO 130 CO -0.10 -3.22 0.67 0.45 0.04 0.00 0.00 177.00 174.84 2dj3 s SER 131 N 8.06 5.91 0.26 6.66 0.15 -1.26 -5.11 113.70 128.37 2dj3 s SER 131 Ca 0.69 0.37 0.09 0.00 0.70 0.00 0.00 55.95 57.81 2dj3 s SER 131 Cb -0.08 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 2dj3 s SER 131 CO 0.05 -0.65 0.03 -0.94 1.20 0.00 0.00 173.24 172.92 2dj3 s SER 132 N -4.19 4.73 0.00 5.45 1.04 -1.26 -5.35 113.70 114.12 2dj3 s SER 132 Ca 0.47 -0.56 0.28 0.00 0.48 0.00 0.00 55.95 56.62 2dj3 s SER 132 Cb -0.10 -0.95 0.98 0.00 0.10 0.00 0.00 66.02 66.05 2dj3 s SER 132 CO 0.38 0.00 1.70 0.61 0.98 0.00 0.00 173.24 176.92