#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 6.71 -0.06 1.61 0.01 -1.26 -4.97 113.70 115.75 2dj3 s SER 2 Ca 0.00 0.94 -0.30 0.00 1.31 0.00 0.00 55.95 57.90 2dj3 s SER 2 Cb 0.00 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.80 2dj3 s SER 2 CO 0.00 -1.10 0.95 -0.55 0.41 0.00 0.00 173.24 172.95 2dj3 s SER 3 N 2.48 -0.33 -0.36 2.44 0.15 -1.26 -5.07 113.70 111.75 2dj3 s SER 3 Ca 0.51 0.07 -0.11 0.00 0.70 0.00 0.00 55.95 57.13 2dj3 s SER 3 Cb -0.13 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.53 2dj3 s SER 3 CO 0.24 -0.52 0.47 0.61 1.20 0.00 0.00 173.24 175.24 2dj3 n GLY 4 N -0.05 -1.16 0.20 9.45 0.00 -1.26 -5.03 105.19 107.34 2dj3 n GLY 4 Ca -0.08 0.89 -0.10 0.00 0.00 0.00 0.00 46.02 46.74 2dj3 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dj3 n SER 5 N -0.47 1.84 -4.22 1.61 2.88 -1.26 -5.00 113.62 109.00 2dj3 n SER 5 Ca 0.08 0.31 -0.45 0.00 -1.33 0.00 0.00 58.87 57.49 2dj3 n SER 5 Cb 0.37 -0.70 -0.02 0.00 -0.75 0.00 0.00 64.21 63.11 2dj3 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dj3 n SER 6 N -4.33 -1.67 -1.49 -3.46 3.41 -1.26 -4.45 113.62 100.37 2dj3 n SER 6 Ca -0.16 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 2dj3 n SER 6 Cb 0.50 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 2dj3 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj3 n GLY 7 N 2.03 -4.51 0.15 5.00 0.00 -1.26 -4.92 105.19 101.68 2dj3 n GLY 7 Ca 0.15 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 2.27 0.44 -6.26 1.61 0.13 -1.89 -3.43 132.00 124.87 2dj3 h PRO 8 Ca 0.00 -0.23 -0.55 0.00 -0.87 0.00 0.00 66.00 64.34 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 0.80 1.14 0.08 -0.23 0.00 0.00 178.00 179.80 2dj3 s VAL 9 N -4.33 3.50 0.32 1.56 1.01 -1.26 -4.74 120.40 116.46 2dj3 s VAL 9 Ca -0.14 0.59 -0.28 0.00 0.00 0.00 0.00 61.98 62.15 2dj3 s VAL 9 Cb 0.06 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.92 2dj3 s VAL 9 CO 0.77 -0.11 1.10 -0.75 0.00 0.00 0.00 175.10 176.11 2dj3 s LYS 10 N 4.41 4.45 -0.16 2.72 2.20 -1.17 -4.83 119.74 127.36 2dj3 s LYS 10 Ca 0.77 1.74 -0.07 0.00 -0.36 0.00 0.00 55.97 58.05 2dj3 s LYS 10 Cb -0.32 -2.96 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 2dj3 s LYS 10 CO 0.31 0.05 0.09 0.14 -0.36 0.00 0.00 175.35 175.59 2dj3 s VAL 11 N -1.31 5.08 0.01 4.02 -7.23 -1.26 -0.18 120.40 119.53 2dj3 s VAL 11 Ca 0.49 0.06 0.08 0.00 -1.81 0.00 0.00 61.98 60.80 2dj3 s VAL 11 Cb -0.29 -3.26 -0.02 0.00 0.56 0.00 0.00 36.38 33.37 2dj3 s VAL 11 CO 0.38 0.52 -0.24 -0.69 -0.31 0.00 0.00 175.10 174.76 2dj3 s VAL 12 N -0.19 1.88 0.55 1.32 1.01 0.82 -4.91 120.40 120.89 2dj3 s VAL 12 Ca 0.09 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.95 2dj3 s VAL 12 Cb -0.12 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.70 2dj3 s VAL 12 CO 0.01 0.41 0.25 0.68 0.00 0.00 0.00 175.10 176.44 2dj3 s VAL 13 N -0.67 1.30 -1.73 2.92 -7.23 -1.26 -4.30 120.40 109.42 2dj3 s VAL 13 Ca 0.09 -1.70 0.16 0.00 -1.81 0.00 0.00 61.98 58.73 2dj3 s VAL 13 Cb -0.09 -2.01 0.39 0.00 0.56 0.00 0.00 36.38 35.23 2dj3 s VAL 13 CO 0.01 0.00 1.44 0.61 -0.31 0.00 0.00 175.10 176.84 2dj3 n GLY 14 N -1.61 -0.66 0.06 2.32 0.00 -1.26 -0.08 105.19 103.95 2dj3 n GLY 14 Ca -0.10 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.85 2dj3 n GLY 14 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dj3 n LYS 15 N -1.13 0.66 -0.15 1.61 2.85 -1.26 -4.41 118.16 116.33 2dj3 n LYS 15 Ca 0.10 -0.05 0.04 0.00 -1.05 0.00 0.00 58.31 57.36 2dj3 n LYS 15 Cb 0.09 -1.59 0.06 0.00 -0.65 0.00 0.00 35.03 32.94 2dj3 n LYS 15 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2dj3 n THR 16 N -2.55 1.05 -0.04 0.58 -2.24 -0.92 -4.78 114.28 105.37 2dj3 n THR 16 Ca -0.14 -1.21 -0.15 0.00 -2.27 0.00 0.00 64.05 60.28 2dj3 n THR 16 Cb 0.80 0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.00 0.51 0.00 4.78 3.04 -0.70 -0.25 116.94 124.31 2dj3 h PHE 17 Ca 0.00 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 61.75 2dj3 h PHE 17 Cb 0.99 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.42 2dj3 h PHE 17 CO 0.02 0.91 0.00 -0.25 -2.02 0.00 0.00 178.31 176.98 2dj3 n ASP 18 N -4.42 0.00 -0.11 0.41 8.00 -1.26 -1.32 116.55 117.85 2dj3 n ASP 18 Ca -0.07 0.27 -0.21 0.00 0.71 0.00 0.00 54.79 55.49 2dj3 n ASP 18 Cb 0.48 -0.41 -0.12 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.41 1.28 -0.00 2.24 0.00 -1.14 -4.21 120.51 117.27 2dj3 n ALA 19 Ca 0.07 -1.00 -0.00 0.00 0.00 0.00 0.00 53.44 52.51 2dj3 n ALA 19 Cb 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -3.54 0.05 0.34 0.00 5.41 -0.12 -3.38 119.36 118.11 2dj3 n ILE 20 Ca -0.45 0.49 0.15 0.00 1.00 0.00 0.00 62.75 63.94 2dj3 n ILE 20 Cb 0.97 -1.53 0.78 0.00 -0.71 0.00 0.00 39.64 39.15 2dj3 n ILE 20 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dj3 h VAL 21 N -0.03 0.00 -0.56 1.39 2.07 -1.36 0.20 116.25 117.96 2dj3 h VAL 21 Ca 0.00 0.00 -0.41 0.00 0.82 0.00 0.00 66.70 67.11 2dj3 h VAL 21 Cb 0.03 0.64 -0.33 0.00 -1.52 0.00 0.00 31.29 30.10 2dj3 h VAL 21 CO 0.00 0.00 -0.77 0.23 0.02 0.00 0.00 177.57 177.05 2dj3 n MET 22 N -2.87 3.03 -2.71 1.57 2.81 -0.62 -4.68 117.12 113.64 2dj3 n MET 22 Ca -0.02 -3.92 -0.43 0.00 -1.81 0.00 0.00 57.70 51.53 2dj3 n MET 22 Cb 0.41 -2.07 -0.03 0.00 -0.71 0.00 0.00 33.22 30.82 2dj3 n MET 22 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2dj3 s ASP 23 N -3.51 6.57 0.00 7.83 -4.77 0.70 -4.66 116.67 118.84 2dj3 s ASP 23 Ca 0.47 0.30 0.06 0.00 -3.30 0.00 0.00 52.55 50.08 2dj3 s ASP 23 Cb 0.40 -2.50 0.33 0.00 -1.09 0.00 0.00 42.92 40.06 2dj3 s ASP 23 CO 0.01 -1.14 0.79 -0.81 0.70 0.00 0.00 175.17 174.72 2dj3 n PRO 24 N 7.48 0.49 -0.07 2.11 -0.04 -1.26 -2.35 135.00 141.36 2dj3 n PRO 24 Ca 0.09 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 2dj3 n PRO 24 Cb 0.49 -1.18 -0.15 0.00 -0.04 0.00 0.00 33.50 32.62 2dj3 n PRO 24 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dj3 n LYS 25 N -0.68 0.67 -3.62 0.54 4.76 -1.26 -4.30 118.16 114.27 2dj3 n LYS 25 Ca 0.04 0.13 -0.13 0.00 -2.87 0.00 0.00 58.31 55.48 2dj3 n LYS 25 Cb 0.02 -1.63 -0.06 0.00 -1.84 0.00 0.00 35.03 31.53 2dj3 n LYS 25 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2dj3 s LYS 26 N -2.53 0.99 0.07 1.97 -2.85 -0.99 -4.96 119.74 111.44 2dj3 s LYS 26 Ca -0.11 -0.38 -0.30 0.00 -1.00 0.00 0.00 55.97 54.18 2dj3 s LYS 26 Cb 0.07 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 36.23 2dj3 s LYS 26 CO 0.80 -0.36 1.05 -0.51 0.10 0.00 0.00 175.35 176.44 2dj3 s ASP 27 N -2.14 7.30 -0.15 0.03 1.11 -1.00 -3.90 116.67 117.92 2dj3 s ASP 27 Ca -0.04 1.86 0.01 0.00 0.18 0.00 0.00 52.55 54.56 2dj3 s ASP 27 Cb -0.00 -2.58 0.02 0.00 1.07 0.00 0.00 42.92 41.42 2dj3 s ASP 27 CO -0.04 -0.26 -0.16 -0.69 1.18 0.00 0.00 175.17 175.20 2dj3 s VAL 28 N 0.57 1.68 -0.58 -1.27 1.01 -0.69 -3.13 120.40 117.99 2dj3 s VAL 28 Ca 0.52 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 2dj3 s VAL 28 Cb -0.25 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.62 2dj3 s VAL 28 CO 0.30 0.48 1.00 -0.22 0.00 0.00 0.00 175.10 176.66 2dj3 s LEU 29 N 1.30 3.98 -0.17 3.92 2.96 -1.18 -2.38 118.68 127.10 2dj3 s LEU 29 Ca 0.02 -0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 53.41 2dj3 s LEU 29 Cb -0.13 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 2dj3 s LEU 29 CO -0.09 -1.32 0.40 -0.51 -1.32 0.00 0.00 176.35 173.51 2dj3 s ILE 30 N 4.21 5.22 -0.27 6.68 1.10 0.30 -1.75 121.20 136.68 2dj3 s ILE 30 Ca 0.32 0.74 0.02 0.00 -0.51 0.00 0.00 60.65 61.22 2dj3 s ILE 30 Cb -0.12 -3.73 0.06 0.00 0.15 0.00 0.00 42.46 38.82 2dj3 s ILE 30 CO 0.19 0.30 -0.08 -0.70 -2.11 0.00 0.00 174.94 172.54 2dj3 s GLU 31 N 0.95 2.19 -0.51 3.50 2.12 -1.05 0.27 118.70 126.18 2dj3 s GLU 31 Ca 0.20 -1.40 -0.28 0.00 0.36 0.00 0.00 54.97 53.85 2dj3 s GLU 31 Cb -0.14 -2.96 0.01 0.00 0.26 0.00 0.00 34.13 31.29 2dj3 s GLU 31 CO 0.08 -0.62 1.42 -0.06 -0.54 0.00 0.00 175.26 175.54 2dj3 s PHE 32 N 1.10 2.32 0.14 5.30 0.08 0.21 -2.73 117.98 124.41 2dj3 s PHE 32 Ca -0.06 0.56 0.05 0.00 0.12 0.00 0.00 56.93 57.59 2dj3 s PHE 32 Cb -0.20 -4.36 -0.04 0.00 -0.57 0.00 0.00 43.02 37.86 2dj3 s PHE 32 CO -0.05 -1.97 0.10 1.52 -0.10 0.00 0.00 175.22 174.72 2dj3 s TYR 33 N 5.88 3.12 -0.12 0.36 -0.85 -1.11 -2.04 117.35 122.59 2dj3 s TYR 33 Ca 0.56 -0.01 0.02 0.00 -0.52 0.00 0.00 57.07 57.12 2dj3 s TYR 33 Cb -0.12 -1.52 -0.00 0.00 0.38 0.00 0.00 41.96 40.70 2dj3 s TYR 33 CO 0.28 0.52 -0.20 0.00 -1.52 0.00 0.00 175.55 174.62 2dj3 s ALA 34 N -1.65 2.32 -2.00 9.51 0.00 -1.26 -4.24 121.76 124.44 2dj3 s ALA 34 Ca 0.30 -0.98 0.14 0.00 0.00 0.00 0.00 51.96 51.41 2dj3 s ALA 34 Cb -0.10 -0.98 0.83 0.00 0.00 0.00 0.00 23.12 22.86 2dj3 s ALA 34 CO 0.22 0.18 1.25 -0.35 0.00 0.00 0.00 175.76 177.07 2dj3 n PRO 35 N 3.69 0.49 -0.11 0.00 -0.04 -1.26 -1.98 135.00 135.78 2dj3 n PRO 35 Ca -0.19 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.35 2dj3 n PRO 35 Cb 0.53 -1.44 0.11 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.94 0.00 -4.41 0.54 4.27 -1.26 -5.03 117.44 110.60 2dj3 n TRP 36 Ca 0.10 -0.84 -0.30 0.00 -3.89 0.00 0.00 57.50 52.58 2dj3 n TRP 36 Cb 0.05 -0.13 -0.12 0.00 -1.36 0.00 0.00 31.31 29.75 2dj3 n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dj3 h GLY 38 N 3.99 0.07 -0.99 0.00 0.00 -1.94 -3.36 103.07 100.83 2dj3 h GLY 38 Ca -0.49 -0.18 0.41 0.00 0.00 0.00 0.00 47.33 47.07 2dj3 h GLY 38 CO 0.47 0.16 0.50 0.45 0.00 0.00 0.00 176.54 178.12 2dj3 h HIS 39 N -0.83 0.77 0.30 5.60 3.86 -1.97 0.46 115.15 123.34 2dj3 h HIS 39 Ca -0.22 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 2dj3 h HIS 39 Cb 1.32 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2dj3 h HIS 39 CO 0.16 -0.47 -0.15 0.00 0.86 0.00 0.00 177.93 178.33 2dj3 h LYS 41 N -0.42 0.01 0.00 0.00 6.56 -0.23 2.01 116.57 124.51 2dj3 h LYS 41 Ca -0.04 -0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.48 2dj3 h LYS 41 Cb 0.32 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 2dj3 h LYS 41 CO 0.06 0.01 -0.33 -0.56 -2.06 0.00 0.00 179.45 176.57 2dj3 h GLN 42 N 0.01 0.00 0.00 3.15 -0.00 -1.35 -2.89 115.11 114.03 2dj3 h GLN 42 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.09 2dj3 h GLN 42 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.19 2dj3 h GLN 42 CO -0.87 0.33 -0.51 -0.11 -0.00 0.00 0.00 178.83 177.66 2dj3 n LEU 43 N -3.38 0.60 -0.05 0.06 7.94 0.38 -4.17 117.00 118.37 2dj3 n LEU 43 Ca 0.01 0.20 -0.12 0.00 -1.11 0.00 0.00 56.01 54.99 2dj3 n LEU 43 Cb 0.53 -0.23 -0.06 0.00 0.53 0.00 0.00 43.42 44.19 2dj3 n LEU 43 CO 0.36 -0.01 0.57 -0.33 -1.11 0.00 0.00 177.39 176.88 2dj3 h GLU 44 N 0.00 -0.42 0.00 1.96 4.39 0.29 0.30 114.58 121.10 2dj3 h GLU 44 Ca 0.00 0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 2dj3 h GLU 44 Cb 0.66 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2dj3 h GLU 44 CO 0.00 -0.28 -0.40 -1.00 -1.16 0.00 0.00 179.01 176.17 2dj3 h PRO 45 N -0.43 0.00 -0.34 2.33 0.13 -1.76 -1.84 132.00 130.08 2dj3 h PRO 45 Ca 0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.10 2dj3 h PRO 45 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 2dj3 h PRO 45 CO -0.47 0.40 -0.29 0.82 -0.23 0.00 0.00 178.00 178.22 2dj3 h ILE 46 N 0.00 1.29 -0.00 -3.56 2.04 -1.39 -2.91 117.51 112.97 2dj3 h ILE 46 Ca -0.00 -1.46 -0.24 0.00 1.00 0.00 0.00 64.86 64.16 2dj3 h ILE 46 Cb 0.80 1.46 0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2dj3 h ILE 46 CO 0.05 0.48 -0.96 0.22 0.00 0.00 0.00 178.15 177.94 2dj3 h TYR 47 N 0.58 0.72 0.34 1.37 3.20 -0.38 -3.01 116.97 119.80 2dj3 h TYR 47 Ca 0.06 -0.39 -0.01 0.00 3.14 0.00 0.00 58.73 61.53 2dj3 h TYR 47 Cb 0.87 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 2dj3 h TYR 47 CO 0.07 1.22 -0.39 1.15 -1.64 0.00 0.00 178.16 178.56 2dj3 h THR 48 N 0.28 0.00 -0.57 1.81 2.02 -1.33 -0.94 112.91 114.17 2dj3 h THR 48 Ca -0.09 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.17 2dj3 h THR 48 Cb 1.60 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 2dj3 h THR 48 CO 0.17 0.00 0.38 0.28 0.37 0.00 0.00 175.52 176.73 2dj3 h SER 49 N -0.74 0.40 0.21 4.18 0.02 -1.64 0.66 113.55 116.64 2dj3 h SER 49 Ca -0.04 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2dj3 h SER 49 Cb 0.66 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2dj3 h SER 49 CO -0.08 0.25 -0.20 0.25 -1.14 0.00 0.00 176.83 175.92 2dj3 h LEU 50 N 0.45 0.00 0.00 5.07 5.85 -1.25 -1.44 115.31 123.99 2dj3 h LEU 50 Ca 0.26 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.83 2dj3 h LEU 50 Cb 0.43 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2dj3 h LEU 50 CO -0.07 0.20 -0.91 1.23 -0.34 0.00 0.00 178.44 178.55 2dj3 h GLY 51 N 0.61 0.00 1.29 3.75 0.00 0.41 -2.91 103.07 106.22 2dj3 h GLY 51 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 2dj3 h GLY 51 CO 0.03 0.00 0.26 0.07 0.00 0.00 0.00 176.54 176.90 2dj3 h LYS 52 N -1.00 0.00 0.17 4.80 2.10 -1.09 0.91 116.57 122.46 2dj3 h LYS 52 Ca -0.22 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.14 2dj3 h LYS 52 Cb 1.05 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.40 2dj3 h LYS 52 CO -0.14 0.00 -1.35 1.57 -2.00 0.00 0.00 179.45 177.54 2dj3 h LYS 53 N 0.00 0.36 -0.01 0.07 2.10 -1.41 -3.30 116.57 114.38 2dj3 h LYS 53 Ca 0.15 -0.62 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2dj3 h LYS 53 Cb 0.68 0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 2dj3 h LYS 53 CO -0.00 1.30 -0.01 0.66 -2.00 0.00 0.00 179.45 179.40 2dj3 n TYR 54 N -3.86 0.00 0.19 0.07 4.02 -0.63 -3.73 117.16 113.23 2dj3 n TYR 54 Ca -0.20 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.72 2dj3 n TYR 54 Cb 0.97 -0.01 0.42 0.00 -0.02 0.00 0.00 39.34 40.69 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 1.07 0.03 -0.97 -0.72 2.10 0.74 -2.48 116.57 116.33 2dj3 h LYS 55 Ca 0.00 -0.01 -0.24 0.00 -2.00 0.00 0.00 60.65 58.40 2dj3 h LYS 55 Cb 0.24 -0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.42 2dj3 h LYS 55 CO 0.00 0.30 0.31 0.41 -2.00 0.00 0.00 179.45 178.47 2dj3 n GLY 56 N -0.73 3.21 3.11 0.07 0.00 -1.24 -4.91 105.19 104.70 2dj3 n GLY 56 Ca -0.02 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 2dj3 n GLY 56 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dj3 n GLN 57 N -0.29 0.26 -3.49 1.61 1.13 -0.94 -5.08 117.38 110.58 2dj3 n GLN 57 Ca 0.30 -2.29 -0.38 0.00 -1.94 0.00 0.00 57.00 52.69 2dj3 n GLN 57 Cb 1.09 -0.41 -0.10 0.00 0.11 0.00 0.00 30.24 30.93 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 -4.40 4.01 -1.44 -1.09 -0.14 -1.26 -4.43 119.74 110.99 2dj3 s LYS 58 Ca 0.52 -0.10 -0.01 0.00 -1.36 0.00 0.00 55.97 55.01 2dj3 s LYS 58 Cb -0.03 -3.63 0.01 0.00 -1.68 0.00 0.00 37.83 32.49 2dj3 s LYS 58 CO 0.34 -0.18 0.38 -0.25 -0.76 0.00 0.00 175.35 174.88 2dj3 n ASP 59 N 5.03 -0.31 -3.68 2.83 9.92 -1.26 -4.66 116.55 124.43 2dj3 n ASP 59 Ca -0.11 -1.04 -0.16 0.00 -0.53 0.00 0.00 54.79 52.95 2dj3 n ASP 59 Cb 0.51 -2.85 -0.15 0.00 -0.64 0.00 0.00 41.12 37.99 2dj3 n ASP 59 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2dj3 s LEU 60 N -7.04 -0.00 -0.20 0.64 2.96 -1.26 -2.38 118.68 111.40 2dj3 s LEU 60 Ca 0.04 0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 54.27 2dj3 s LEU 60 Cb -0.02 0.33 0.06 0.00 0.50 0.00 0.00 46.19 47.06 2dj3 s LEU 60 CO 0.90 -0.23 0.07 -0.69 -1.32 0.00 0.00 176.35 175.08 2dj3 s VAL 61 N 2.17 0.24 -0.66 1.68 1.01 -1.18 -4.62 120.40 119.03 2dj3 s VAL 61 Ca 0.01 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 2dj3 s VAL 61 Cb -0.12 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.42 2dj3 s VAL 61 CO -0.06 -0.30 1.38 -0.63 0.00 0.00 0.00 175.10 175.49 2dj3 s ILE 62 N 1.98 3.72 0.29 2.22 1.01 -1.26 -3.12 121.20 126.04 2dj3 s ILE 62 Ca 0.01 0.49 0.10 0.00 0.00 0.00 0.00 60.65 61.26 2dj3 s ILE 62 Cb -0.17 -4.66 -0.05 0.00 0.01 0.00 0.00 42.46 37.60 2dj3 s ILE 62 CO -0.11 -1.52 -0.05 0.00 0.00 0.00 0.00 174.94 173.26 2dj3 s ALA 63 N 6.19 3.06 0.32 9.38 0.00 -0.71 -3.02 121.76 136.97 2dj3 s ALA 63 Ca 0.44 -1.81 0.04 0.00 0.00 0.00 0.00 51.96 50.63 2dj3 s ALA 63 Cb -0.09 -0.51 -0.06 0.00 0.00 0.00 0.00 23.12 22.46 2dj3 s ALA 63 CO 0.19 0.21 0.03 -1.59 0.00 0.00 0.00 175.76 174.60 2dj3 s LYS 64 N -3.64 1.64 -0.10 0.00 -2.85 0.74 -2.52 119.74 113.01 2dj3 s LYS 64 Ca 0.32 -1.89 -0.30 0.00 -1.00 0.00 0.00 55.97 53.10 2dj3 s LYS 64 Cb -0.04 -0.95 0.07 0.00 -2.06 0.00 0.00 37.83 34.85 2dj3 s LYS 64 CO 0.18 -0.13 0.71 1.41 0.10 0.00 0.00 175.35 177.62 2dj3 s MET 65 N -3.85 0.98 -0.57 1.78 1.75 -1.10 -0.12 119.30 118.17 2dj3 s MET 65 Ca 0.35 0.39 -0.21 0.00 -1.25 0.00 0.00 55.69 54.96 2dj3 s MET 65 Cb 0.08 0.47 0.06 0.00 2.84 0.00 0.00 34.83 38.28 2dj3 s MET 65 CO 0.15 -0.28 0.82 -0.51 -0.65 0.00 0.00 175.02 174.55 2dj3 s ASP 66 N -0.89 6.24 0.43 1.11 1.11 -1.26 -2.75 116.67 120.66 2dj3 s ASP 66 Ca -0.08 -0.83 0.29 0.00 0.18 0.00 0.00 52.55 52.11 2dj3 s ASP 66 Cb -0.01 -2.37 1.08 0.00 1.07 0.00 0.00 42.92 42.69 2dj3 s ASP 66 CO 0.08 -1.16 1.84 0.00 1.18 0.00 0.00 175.17 177.11 2dj3 h ALA 67 N 9.26 1.00 0.00 5.23 0.00 -1.75 0.29 119.26 133.29 2dj3 h ALA 67 Ca -0.28 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 2dj3 h ALA 67 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2dj3 h ALA 67 CO 1.08 0.00 -0.85 1.79 0.00 0.00 0.00 179.25 181.26 2dj3 h THR 68 N 0.00 1.55 0.00 0.00 1.35 -1.90 -3.37 112.91 110.54 2dj3 h THR 68 Ca 0.00 -2.74 -0.41 0.00 -0.55 0.00 0.00 66.41 62.71 2dj3 h THR 68 Cb 0.55 2.50 -0.07 0.00 -1.73 0.00 0.00 68.15 69.41 2dj3 h THR 68 CO 0.00 0.79 -2.43 0.00 -0.25 0.00 0.00 175.52 173.63 2dj3 n ALA 69 N -2.42 1.38 -2.70 6.62 0.00 -1.10 -4.94 120.51 117.35 2dj3 n ALA 69 Ca -0.02 -1.03 -0.39 0.00 0.00 0.00 0.00 53.44 52.00 2dj3 n ALA 69 Cb 0.80 0.09 -0.05 0.00 0.00 0.00 0.00 19.45 20.29 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 -7.00 6.82 -0.21 0.00 0.01 1.00 -5.03 114.94 110.52 2dj3 s ASN 70 Ca -0.35 0.98 -0.29 0.00 -0.71 0.00 0.00 52.86 52.49 2dj3 s ASN 70 Cb 0.12 -2.36 -0.00 0.00 0.41 0.00 0.00 41.25 39.42 2dj3 s ASN 70 CO 0.49 -0.13 1.20 -1.81 -1.51 0.00 0.00 177.10 175.34 2dj3 s ASP 71 N 0.87 6.94 -0.61 -1.22 1.01 -1.26 -4.31 116.67 118.08 2dj3 s ASP 71 Ca 0.32 1.49 -0.26 0.00 0.71 0.00 0.00 52.55 54.81 2dj3 s ASP 71 Cb -0.16 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.17 2dj3 s ASP 71 CO 0.14 -0.80 2.14 -0.63 0.21 0.00 0.00 175.17 176.22 2dj3 s ILE 72 N 3.59 3.19 0.28 0.77 1.01 -1.26 -4.80 121.20 123.97 2dj3 s ILE 72 Ca 0.52 0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.22 2dj3 s ILE 72 Cb -0.19 -3.49 0.26 0.00 0.01 0.00 0.00 42.46 39.05 2dj3 s ILE 72 CO 0.14 -0.48 1.75 0.71 0.00 0.00 0.00 174.94 177.06 2dj3 h THR 73 N 7.32 0.67 -2.22 2.92 1.35 -1.92 -3.41 112.91 117.62 2dj3 h THR 73 Ca -0.19 -0.21 -0.16 0.00 -0.55 0.00 0.00 66.41 65.30 2dj3 h THR 73 Cb 1.17 0.01 0.08 0.00 -1.73 0.00 0.00 68.15 67.69 2dj3 h THR 73 CO 1.17 0.11 0.03 -0.46 -0.25 0.00 0.00 175.52 176.13 2dj3 n ASN 74 N -4.89 -1.64 0.00 5.36 6.94 -1.26 -5.04 115.26 114.73 2dj3 n ASN 74 Ca 0.19 -0.73 0.00 0.00 -0.02 0.00 0.00 54.58 54.03 2dj3 n ASN 74 Cb 0.51 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 2dj3 n ASN 74 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2dj3 n ASP 75 N -3.83 0.55 -0.48 0.53 -0.08 -1.26 -4.79 116.55 107.18 2dj3 n ASP 75 Ca 0.06 0.00 0.43 0.00 -1.51 0.00 0.00 54.79 53.77 2dj3 n ASP 75 Cb 0.25 0.00 0.73 0.00 2.34 0.00 0.00 41.12 44.44 2dj3 n ASP 75 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 2dj3 h GLN 76 N 0.00 0.00 -5.67 -0.67 3.07 -1.96 -3.35 115.11 106.52 2dj3 h GLN 76 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 58.14 2dj3 h GLN 76 Cb 0.31 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 27.77 2dj3 h GLN 76 CO 0.00 0.00 0.24 0.71 0.09 0.00 0.00 178.83 179.87 2dj3 s TYR 77 N -4.79 3.34 -0.06 0.06 1.51 -1.26 -4.79 117.35 111.36 2dj3 s TYR 77 Ca -0.05 0.98 0.04 0.00 -1.01 0.00 0.00 57.07 57.03 2dj3 s TYR 77 Cb 0.23 -2.89 -0.00 0.00 -0.11 0.00 0.00 41.96 39.19 2dj3 s TYR 77 CO 0.78 -0.28 -0.18 0.15 -1.11 0.00 0.00 175.55 174.90 2dj3 s LYS 78 N 2.33 2.03 -0.44 -0.62 1.02 -1.26 -5.02 119.74 117.78 2dj3 s LYS 78 Ca 0.30 -0.66 -0.07 0.00 0.02 0.00 0.00 55.97 55.56 2dj3 s LYS 78 Cb -0.16 -1.71 0.11 0.00 -0.52 0.00 0.00 37.83 35.55 2dj3 s LYS 78 CO 0.09 0.23 0.29 0.08 -0.92 0.00 0.00 175.35 175.12 2dj3 s VAL 79 N 0.13 3.94 -0.07 3.17 1.01 -1.26 -4.89 120.40 122.43 2dj3 s VAL 79 Ca -0.07 -1.79 0.22 0.00 0.00 0.00 0.00 61.98 60.34 2dj3 s VAL 79 Cb -0.13 -3.58 -0.28 0.00 0.00 0.00 0.00 36.38 32.38 2dj3 s VAL 79 CO 0.03 -0.69 0.58 -0.62 0.00 0.00 0.00 175.10 174.40 2dj3 n GLU 80 N 4.82 0.64 -3.64 2.72 -0.58 -1.26 -4.98 120.64 118.36 2dj3 n GLU 80 Ca -0.07 -0.14 -0.06 0.00 -0.42 0.00 0.00 57.16 56.47 2dj3 n GLU 80 Cb 0.41 -1.57 -0.07 0.00 -0.57 0.00 0.00 31.44 29.64 2dj3 n GLU 80 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2dj3 s GLY 81 N -4.48 0.01 0.08 0.62 0.00 -1.26 -5.17 107.32 97.12 2dj3 s GLY 81 Ca -0.07 2.99 0.00 0.00 0.00 0.00 0.00 44.72 47.64 2dj3 s GLY 81 CO 0.89 2.08 0.24 -1.36 0.00 0.00 0.00 173.10 174.95 2dj3 s PHE 82 N 0.51 3.51 0.74 1.90 0.40 -1.26 -3.87 117.98 119.91 2dj3 s PHE 82 Ca 0.00 0.24 -0.12 0.00 -0.60 0.00 0.00 56.93 56.46 2dj3 s PHE 82 Cb -0.05 -1.76 0.04 0.00 0.51 0.00 0.00 43.02 41.77 2dj3 s PHE 82 CO -0.10 0.56 1.10 -1.25 0.70 0.00 0.00 175.22 176.23 2dj3 s PRO 83 N -2.67 2.40 -0.28 0.24 0.04 -1.26 -4.85 135.00 128.62 2dj3 s PRO 83 Ca 0.35 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.60 2dj3 s PRO 83 Cb -0.13 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.59 2dj3 s PRO 83 CO 0.28 -1.54 0.09 0.99 0.04 0.00 0.00 177.00 176.86 2dj3 s THR 84 N -2.75 0.51 0.08 1.26 2.01 -0.86 -5.00 115.64 110.88 2dj3 s THR 84 Ca 0.63 -1.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 2dj3 s THR 84 Cb -0.18 -1.31 -0.06 0.00 0.01 0.00 0.00 72.50 70.96 2dj3 s THR 84 CO 0.52 -0.58 0.41 -0.63 -0.69 0.00 0.00 174.62 173.65 2dj3 s ILE 85 N 1.82 5.08 -0.05 1.82 1.01 -1.26 0.67 121.20 130.29 2dj3 s ILE 85 Ca 0.07 0.50 -0.05 0.00 0.00 0.00 0.00 60.65 61.18 2dj3 s ILE 85 Cb -0.17 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2dj3 s ILE 85 CO -0.24 0.31 0.13 -0.31 0.00 0.00 0.00 174.94 174.83 2dj3 s TYR 86 N -1.37 -0.13 -0.30 3.97 2.02 0.14 -3.23 117.35 118.45 2dj3 s TYR 86 Ca 0.32 0.32 -0.07 0.00 -0.37 0.00 0.00 57.07 57.27 2dj3 s TYR 86 Cb -0.14 0.04 0.01 0.00 -0.40 0.00 0.00 41.96 41.47 2dj3 s TYR 86 CO 0.18 -0.09 0.08 0.12 -1.57 0.00 0.00 175.55 174.27 2dj3 s PHE 87 N -0.04 3.16 -0.64 2.71 2.19 -0.63 -0.54 117.98 124.19 2dj3 s PHE 87 Ca -0.01 -1.02 -0.12 0.00 0.33 0.00 0.00 56.93 56.11 2dj3 s PHE 87 Cb -0.01 -2.26 0.16 0.00 -1.31 0.00 0.00 43.02 39.60 2dj3 s PHE 87 CO 0.00 -0.59 0.55 0.00 1.83 0.00 0.00 175.22 177.02 2dj3 s ALA 88 N 1.49 3.74 -0.34 11.12 0.00 -1.00 -2.93 121.76 133.84 2dj3 s ALA 88 Ca 0.02 -2.91 -0.29 0.00 0.00 0.00 0.00 51.96 48.79 2dj3 s ALA 88 Cb -0.17 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 2dj3 s ALA 88 CO 0.02 -2.10 1.69 -1.25 0.00 0.00 0.00 175.76 174.13 2dj3 s PRO 89 N 0.83 3.44 -0.57 0.00 0.04 -1.26 -1.71 135.00 135.76 2dj3 s PRO 89 Ca 0.11 1.34 -0.36 0.00 0.04 0.00 0.00 61.00 62.13 2dj3 s PRO 89 Cb -0.21 -4.14 -0.16 0.00 0.04 0.00 0.00 34.50 30.03 2dj3 s PRO 89 CO -0.03 -1.73 2.32 0.45 0.04 0.00 0.00 177.00 178.04 2dj3 n SER 90 N 9.77 1.25 0.00 6.66 2.88 -1.25 -0.42 113.62 132.50 2dj3 n SER 90 Ca 0.21 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2dj3 n SER 90 Cb 0.47 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 2dj3 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj3 n GLY 91 N 6.80 3.40 0.97 0.46 0.00 -1.26 -4.83 105.19 110.73 2dj3 n GLY 91 Ca 0.51 -1.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 2dj3 n GLY 91 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dj3 n ASP 92 N 0.00 2.23 0.28 1.61 9.92 0.44 -4.71 116.55 126.31 2dj3 n ASP 92 Ca 0.00 -3.85 0.18 0.00 -0.53 0.00 0.00 54.79 50.59 2dj3 n ASP 92 Cb 0.00 -0.59 0.96 0.00 -0.64 0.00 0.00 41.12 40.85 2dj3 n ASP 92 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2dj3 h LYS 93 N 1.03 0.00 -1.05 -1.24 1.57 -1.72 -2.26 116.57 112.91 2dj3 h LYS 93 Ca 0.14 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 59.23 2dj3 h LYS 93 Cb 1.39 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.66 2dj3 h LYS 93 CO 0.25 0.00 1.00 0.87 -0.57 0.00 0.00 179.45 181.00 2dj3 h LYS 94 N 0.00 0.00 -4.03 3.15 1.79 -1.89 -3.15 116.57 112.44 2dj3 h LYS 94 Ca 0.03 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.86 2dj3 h LYS 94 Cb 0.23 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.48 2dj3 h LYS 94 CO -0.00 0.00 -0.71 -0.80 -1.08 0.00 0.00 179.45 176.86 2dj3 s ASN 95 N -4.23 4.44 0.34 0.86 0.01 -0.85 -4.89 114.94 110.61 2dj3 s ASN 95 Ca -0.04 -2.33 -0.28 0.00 -0.71 0.00 0.00 52.86 49.51 2dj3 s ASN 95 Cb 0.18 -1.45 -0.10 0.00 0.41 0.00 0.00 41.25 40.29 2dj3 s ASN 95 CO 0.60 -0.34 1.22 -2.16 -1.51 0.00 0.00 177.10 174.91 2dj3 s PRO 96 N 0.67 4.33 -0.35 -0.60 0.04 -1.19 -4.86 135.00 133.04 2dj3 s PRO 96 Ca 0.13 2.01 -0.08 0.00 0.04 0.00 0.00 61.00 63.09 2dj3 s PRO 96 Cb -0.21 -2.98 0.03 0.00 0.04 0.00 0.00 34.50 31.38 2dj3 s PRO 96 CO -0.08 -0.13 0.14 0.42 0.04 0.00 0.00 177.00 177.39 2dj3 s ILE 97 N -1.22 4.13 0.10 0.56 1.01 -1.15 -4.94 121.20 119.68 2dj3 s ILE 97 Ca 0.50 -0.96 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 2dj3 s ILE 97 Cb -0.35 -3.30 -0.07 0.00 0.01 0.00 0.00 42.46 38.75 2dj3 s ILE 97 CO 0.46 -0.17 0.69 -0.75 0.00 0.00 0.00 174.94 175.17 2dj3 s LYS 98 N 1.48 4.42 -0.49 2.79 2.20 -1.26 -1.60 119.74 127.28 2dj3 s LYS 98 Ca 0.00 0.97 -0.24 0.00 -0.36 0.00 0.00 55.97 56.35 2dj3 s LYS 98 Cb -0.19 -3.28 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2dj3 s LYS 98 CO 0.04 0.52 0.85 0.12 -0.36 0.00 0.00 175.35 176.53 2dj3 s PHE 99 N -0.86 2.92 -0.43 4.03 5.36 -1.20 -4.91 117.98 122.89 2dj3 s PHE 99 Ca 0.34 0.11 0.04 0.00 -0.96 0.00 0.00 56.93 56.46 2dj3 s PHE 99 Cb -0.21 -3.84 0.44 0.00 -0.34 0.00 0.00 43.02 39.07 2dj3 s PHE 99 CO 0.23 -1.12 1.38 0.39 -1.46 0.00 0.00 175.22 174.63 2dj3 n GLU 100 N 7.01 3.35 -0.58 10.12 1.02 -1.26 -4.77 120.64 135.53 2dj3 n GLU 100 Ca 0.02 -4.05 -0.11 0.00 -0.02 0.00 0.00 57.16 53.01 2dj3 n GLU 100 Cb 0.48 -2.27 0.09 0.00 -0.02 0.00 0.00 31.44 29.71 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 -0.68 3.16 6.29 0.62 0.00 -1.26 -4.96 105.19 108.36 2dj3 n GLY 101 Ca 0.47 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.27 0.40 3.49 -0.02 0.00 -1.26 -4.63 105.19 102.91 2dj3 n GLY 102 Ca 0.28 0.57 -0.58 0.00 0.00 0.00 0.00 46.02 46.29 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 3.86 1.64 -4.18 1.61 4.13 -1.26 -4.85 115.26 116.21 2dj3 n ASN 103 Ca 0.00 0.77 -0.43 0.00 1.68 0.00 0.00 54.58 56.60 2dj3 n ASN 103 Cb 0.00 -1.06 -0.00 0.00 -1.54 0.00 0.00 39.78 37.17 2dj3 n ASN 103 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2dj3 n ARG 104 N 6.70 3.81 -3.34 3.52 1.74 -1.26 -4.70 116.66 123.13 2dj3 n ARG 104 Ca 0.40 -4.50 -0.16 0.00 -0.77 0.00 0.00 57.85 52.82 2dj3 n ARG 104 Cb 0.08 -2.52 -0.03 0.00 -1.02 0.00 0.00 32.46 28.96 2dj3 n ARG 104 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2dj3 n ASP 105 N 2.11 2.37 -0.03 0.55 2.03 -1.26 -4.94 116.55 117.39 2dj3 n ASP 105 Ca 0.25 -2.13 0.14 0.00 0.52 0.00 0.00 54.79 53.57 2dj3 n ASP 105 Cb 0.37 0.26 0.65 0.00 -0.72 0.00 0.00 41.12 41.68 2dj3 n ASP 105 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2dj3 n LEU 106 N 0.00 0.17 -0.07 -2.67 7.94 -1.26 -1.93 117.00 119.18 2dj3 n LEU 106 Ca -0.09 0.23 -0.16 0.00 -1.11 0.00 0.00 56.01 54.88 2dj3 n LEU 106 Cb 0.33 -0.30 -0.14 0.00 0.53 0.00 0.00 43.42 43.84 2dj3 n LEU 106 CO 0.17 0.03 -1.03 -0.62 -1.11 0.00 0.00 177.39 174.84 2dj3 n GLU 107 N -1.25 0.69 0.07 1.96 4.71 -1.26 -3.81 120.64 121.75 2dj3 n GLU 107 Ca 0.12 0.18 0.01 0.00 -0.01 0.00 0.00 57.16 57.46 2dj3 n GLU 107 Cb 0.28 -1.62 -0.05 0.00 -1.01 0.00 0.00 31.44 29.04 2dj3 n GLU 107 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2dj3 h HIS 108 N 0.02 0.00 -0.14 -0.32 3.86 -1.84 -3.29 115.15 113.44 2dj3 h HIS 108 Ca -0.48 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.64 2dj3 h HIS 108 Cb 2.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.49 2dj3 h HIS 108 CO 0.03 0.56 -0.26 -0.07 0.86 0.00 0.00 177.93 179.05 2dj3 h LEU 109 N 0.00 0.48 -1.78 2.43 3.38 -1.58 -2.98 115.31 115.26 2dj3 h LEU 109 Ca -0.10 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 2dj3 h LEU 109 Cb 1.51 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2dj3 h LEU 109 CO 0.05 0.93 -0.12 0.77 0.09 0.00 0.00 178.44 180.16 2dj3 h SER 110 N 0.04 0.00 1.13 -0.43 4.64 -1.70 -0.30 113.55 116.93 2dj3 h SER 110 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2dj3 h SER 110 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2dj3 h SER 110 CO 0.06 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.43 2dj3 n LYS 111 N -4.33 0.16 -0.05 4.77 5.02 -1.18 -2.89 118.16 119.67 2dj3 n LYS 111 Ca -0.03 0.20 -0.14 0.00 -2.02 0.00 0.00 58.31 56.32 2dj3 n LYS 111 Cb 0.20 -1.71 -0.14 0.00 -0.02 0.00 0.00 35.03 33.36 2dj3 n LYS 111 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2dj3 n PHE 112 N -1.99 0.74 0.02 2.13 -0.00 -0.19 -4.14 117.46 114.04 2dj3 n PHE 112 Ca 0.05 0.21 -0.01 0.00 -0.00 0.00 0.00 57.45 57.70 2dj3 n PHE 112 Cb 0.35 -1.12 -0.00 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 0.02 0.00 -0.76 -2.13 2.04 -1.37 -3.25 117.51 112.06 2dj3 h ILE 113 Ca -0.43 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 65.52 2dj3 h ILE 113 Cb 2.05 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.99 2dj3 h ILE 113 CO 0.05 0.00 -0.24 -0.67 0.00 0.00 0.00 178.15 177.29 2dj3 n ASP 114 N -2.31 -0.37 -0.29 1.72 2.03 -1.14 0.16 116.55 116.35 2dj3 n ASP 114 Ca -0.01 1.32 0.10 0.00 0.52 0.00 0.00 54.79 56.72 2dj3 n ASP 114 Cb 0.02 -0.36 0.23 0.00 -0.72 0.00 0.00 41.12 40.30 2dj3 n ASP 114 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2dj3 h GLU 115 N 0.00 0.14 0.00 -0.67 4.39 -1.72 0.43 114.58 117.15 2dj3 h GLU 115 Ca 0.32 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 2dj3 h GLU 115 Cb 0.51 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2dj3 h GLU 115 CO -0.77 0.09 -0.73 0.45 -1.16 0.00 0.00 179.01 176.89 2dj3 h HIS 116 N 0.14 0.00 0.00 4.33 3.86 0.15 -3.27 115.15 120.36 2dj3 h HIS 116 Ca 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 2dj3 h HIS 116 Cb 0.96 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.43 2dj3 h HIS 116 CO -0.36 0.05 0.00 0.00 0.86 0.00 0.00 177.93 178.48 2dj3 n ALA 117 N -2.17 2.27 -3.06 2.45 0.00 0.20 -4.85 120.51 115.35 2dj3 n ALA 117 Ca 0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 2dj3 n ALA 117 Cb 0.57 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.13 0.00 -3.73 0.00 -1.04 -0.50 0.07 114.28 107.94 2dj3 n THR 118 Ca 0.14 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.91 2dj3 n THR 118 Cb 0.13 -0.25 -0.07 0.00 -1.82 0.00 0.00 70.33 68.32 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 -2.44 -0.90 -0.29 -2.82 4.76 -1.26 -4.69 118.16 110.52 2dj3 n LYS 119 Ca 0.06 0.08 0.21 0.00 -2.87 0.00 0.00 58.31 55.79 2dj3 n LYS 119 Cb 0.27 -2.80 0.40 0.00 -1.84 0.00 0.00 35.03 31.06 2dj3 n LYS 119 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2dj3 n ARG 120 N -3.34 -0.06 -1.26 1.97 5.12 0.11 -4.44 116.66 114.76 2dj3 n ARG 120 Ca -0.12 1.27 -0.35 0.00 -1.93 0.00 0.00 57.85 56.72 2dj3 n ARG 120 Cb 0.43 -2.14 0.10 0.00 -1.16 0.00 0.00 32.46 29.69 2dj3 n ARG 120 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2dj3 n SER 121 N -5.13 0.49 0.02 0.55 3.41 -1.26 -4.94 113.62 106.75 2dj3 n SER 121 Ca 0.27 0.63 -0.13 0.00 -0.26 0.00 0.00 58.87 59.38 2dj3 n SER 121 Cb 0.92 -1.42 -0.09 0.00 -0.26 0.00 0.00 64.21 63.35 2dj3 n SER 121 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2dj3 h ARG 122 N -0.50 -0.05 -6.86 4.33 2.43 -2.00 -3.45 114.38 108.29 2dj3 h ARG 122 Ca -0.47 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.15 2dj3 h ARG 122 Cb 1.32 0.01 0.18 0.00 -0.42 0.00 0.00 29.97 31.06 2dj3 h ARG 122 CO 0.46 0.32 -0.06 -2.37 -1.51 0.00 0.00 179.97 176.81 2dj3 n THR 123 N -4.94 2.44 -3.85 0.20 5.66 -1.26 -5.02 114.28 107.51 2dj3 n THR 123 Ca -0.08 -0.38 -0.10 0.00 -3.05 0.00 0.00 64.05 60.44 2dj3 n THR 123 Cb 0.20 -0.98 -0.01 0.00 -1.55 0.00 0.00 70.33 68.00 2dj3 n THR 123 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2dj3 n LYS 124 N -1.51 0.71 -3.73 1.09 0.00 -1.26 -5.00 118.16 108.47 2dj3 n LYS 124 Ca 0.12 -2.13 -0.37 0.00 -0.00 0.00 0.00 58.31 55.93 2dj3 n LYS 124 Cb 0.50 2.25 -0.12 0.00 -0.00 0.00 0.00 35.03 37.65 2dj3 n LYS 124 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2dj3 s GLU 125 N -2.44 3.65 -0.47 -1.58 2.56 -1.26 -5.06 118.70 114.10 2dj3 s GLU 125 Ca 0.20 -0.48 -0.17 0.00 0.00 0.00 0.00 54.97 54.52 2dj3 s GLU 125 Cb -0.02 -3.38 0.06 0.00 2.00 0.00 0.00 34.13 32.78 2dj3 s GLU 125 CO 0.14 -0.21 0.45 -2.00 -0.56 0.00 0.00 175.26 173.09 2dj3 s GLU 126 N 1.63 3.03 -0.18 4.30 2.56 -1.26 -5.05 118.70 123.73 2dj3 s GLU 126 Ca 0.06 -1.13 -0.09 0.00 0.00 0.00 0.00 54.97 53.82 2dj3 s GLU 126 Cb -0.15 -4.09 -0.05 0.00 2.00 0.00 0.00 34.13 31.84 2dj3 s GLU 126 CO 0.05 -1.03 0.10 -1.17 -0.56 0.00 0.00 175.26 172.65 2dj3 s LEU 127 N 1.97 4.06 0.29 2.70 1.98 -1.26 -5.05 118.68 123.37 2dj3 s LEU 127 Ca 0.08 0.20 -0.15 0.00 -2.89 0.00 0.00 54.13 51.37 2dj3 s LEU 127 Cb -0.22 -2.03 -0.11 0.00 0.66 0.00 0.00 46.19 44.49 2dj3 s LEU 127 CO 0.09 0.21 0.05 -1.20 -1.89 0.00 0.00 176.35 173.61 2dj3 n SER 128 N 3.33 -2.05 -2.69 3.68 7.64 -1.26 -4.96 113.62 117.31 2dj3 n SER 128 Ca -0.17 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.27 2dj3 n SER 128 Cb 0.52 -0.61 0.02 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.70 -1.73 -0.73 0.23 0.00 -1.26 -5.10 107.32 98.03 2dj3 s GLY 129 Ca 0.41 1.16 -0.26 0.00 0.00 0.00 0.00 44.72 46.03 2dj3 s GLY 129 CO 0.44 4.39 1.90 2.56 0.00 0.00 0.00 173.10 182.39 2dj3 s PRO 130 N 1.62 2.59 0.08 2.90 0.04 -1.26 -4.87 135.00 136.11 2dj3 s PRO 130 Ca 0.17 0.25 -0.31 0.00 0.04 0.00 0.00 61.00 61.15 2dj3 s PRO 130 Cb 0.08 -4.66 -0.14 0.00 0.04 0.00 0.00 34.50 29.82 2dj3 s PRO 130 CO -0.14 -3.00 1.49 1.03 0.04 0.00 0.00 177.00 176.41 2dj3 h SER 131 N 13.49 -1.34 -2.05 6.66 0.87 -2.02 -3.36 113.55 125.80 2dj3 h SER 131 Ca -0.11 0.13 -0.52 0.00 -1.23 0.00 0.00 61.79 60.05 2dj3 h SER 131 Cb 1.10 0.47 -0.01 0.00 -0.44 0.00 0.00 62.40 63.52 2dj3 h SER 131 CO 1.21 -0.53 1.44 -0.44 -0.53 0.00 0.00 176.83 177.99 2dj3 s SER 132 N -4.27 5.21 0.00 6.23 0.01 -1.26 -5.37 113.70 114.26 2dj3 s SER 132 Ca -0.15 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.16 2dj3 s SER 132 Cb 0.05 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2dj3 s SER 132 CO 0.53 -2.29 0.00 0.61 0.41 0.00 0.00 173.24 172.50