#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj3 n SER 2 N 0.00 1.84 -4.63 1.61 7.64 -1.26 -4.89 113.62 113.93 2dj3 n SER 2 Ca 0.00 0.40 -0.43 0.00 1.01 0.00 0.00 58.87 59.85 2dj3 n SER 2 Cb 0.00 -0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 62.41 2dj3 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dj3 s SER 3 N -5.79 6.15 0.00 6.43 0.01 -1.26 -4.43 113.70 114.80 2dj3 s SER 3 Ca -0.24 1.90 0.00 0.00 1.31 0.00 0.00 55.95 58.91 2dj3 s SER 3 Cb 0.03 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2dj3 s SER 3 CO 0.36 -1.41 0.00 0.61 0.41 0.00 0.00 173.24 173.22 2dj3 n GLY 4 N 4.94 1.08 3.13 3.44 0.00 -1.26 -5.16 105.19 111.35 2dj3 n GLY 4 Ca 0.22 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 2dj3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dj3 s SER 5 N 0.00 -0.34 0.30 1.61 1.04 -1.26 -5.12 113.70 109.94 2dj3 s SER 5 Ca 0.00 0.63 -0.30 0.00 0.48 0.00 0.00 55.95 56.77 2dj3 s SER 5 Cb 0.00 0.53 -0.11 0.00 0.10 0.00 0.00 66.02 66.54 2dj3 s SER 5 CO 0.00 -0.16 1.52 -0.55 0.98 0.00 0.00 173.24 175.03 2dj3 s SER 6 N 1.14 6.45 -0.44 7.02 0.15 -1.26 -3.83 113.70 122.93 2dj3 s SER 6 Ca -0.08 2.89 -0.34 0.00 0.70 0.00 0.00 55.95 59.12 2dj3 s SER 6 Cb -0.09 -2.64 0.05 0.00 -1.71 0.00 0.00 66.02 61.63 2dj3 s SER 6 CO -0.08 -0.84 0.65 0.61 1.20 0.00 0.00 173.24 174.78 2dj3 n GLY 7 N 1.74 -0.17 0.22 9.45 0.00 -1.26 -4.88 105.19 110.29 2dj3 n GLY 7 Ca 0.06 1.19 -0.06 0.00 0.00 0.00 0.00 46.02 47.20 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 2.08 0.48 -6.12 1.61 0.13 -1.86 -3.43 132.00 124.90 2dj3 h PRO 8 Ca -0.44 -0.25 -0.57 0.00 -0.87 0.00 0.00 66.00 63.86 2dj3 h PRO 8 Cb 1.32 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 2dj3 h PRO 8 CO 0.22 0.83 0.87 0.08 -0.23 0.00 0.00 178.00 179.77 2dj3 s VAL 9 N -4.17 4.42 0.33 1.56 1.01 -1.26 -4.59 120.40 117.70 2dj3 s VAL 9 Ca -0.07 1.72 -0.27 0.00 0.00 0.00 0.00 61.98 63.36 2dj3 s VAL 9 Cb 0.12 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 2dj3 s VAL 9 CO 0.81 -0.15 1.11 -0.75 0.00 0.00 0.00 175.10 176.13 2dj3 s LYS 10 N 3.39 4.41 -0.13 2.72 2.20 -1.12 -4.79 119.74 126.40 2dj3 s LYS 10 Ca 0.51 1.77 -0.08 0.00 -0.36 0.00 0.00 55.97 57.81 2dj3 s LYS 10 Cb -0.19 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 2dj3 s LYS 10 CO 0.12 0.01 0.16 0.14 -0.36 0.00 0.00 175.35 175.41 2dj3 s VAL 11 N -1.32 5.45 0.09 4.02 -7.23 -1.26 0.26 120.40 120.41 2dj3 s VAL 11 Ca 0.50 0.25 0.09 0.00 -1.81 0.00 0.00 61.98 61.01 2dj3 s VAL 11 Cb -0.30 -3.44 -0.03 0.00 0.56 0.00 0.00 36.38 33.17 2dj3 s VAL 11 CO 0.38 0.57 -0.23 -0.69 -0.31 0.00 0.00 175.10 174.82 2dj3 s VAL 12 N -0.65 1.87 0.48 1.32 1.01 0.11 -4.89 120.40 119.65 2dj3 s VAL 12 Ca 0.14 -1.49 0.01 0.00 0.00 0.00 0.00 61.98 60.64 2dj3 s VAL 12 Cb -0.12 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2dj3 s VAL 12 CO 0.03 0.08 0.05 1.33 0.00 0.00 0.00 175.10 176.60 2dj3 n VAL 13 N 1.30 0.00 0.24 2.92 0.24 -1.26 -4.33 118.33 117.44 2dj3 n VAL 13 Ca -0.18 -2.40 0.08 0.00 -2.04 0.00 0.00 64.34 59.79 2dj3 n VAL 13 Cb 0.53 0.61 0.58 0.00 -1.47 0.00 0.00 33.84 34.10 2dj3 n VAL 13 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2dj3 h GLY 14 N 1.37 0.00 1.68 7.63 0.00 -1.93 1.23 103.07 113.05 2dj3 h GLY 14 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2dj3 h GLY 14 CO 0.63 0.00 -0.29 0.07 0.00 0.00 0.00 176.54 176.96 2dj3 h LYS 15 N 0.00 0.00 0.00 4.80 2.10 -1.99 -3.30 116.57 118.18 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 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2dj3 h LYS 15 CO 0.02 0.00 -0.03 0.25 -2.00 0.00 0.00 179.45 177.69 2dj3 n THR 16 N -2.67 1.16 0.03 0.07 -2.24 -0.69 -4.75 114.28 105.18 2dj3 n THR 16 Ca 0.03 -1.29 -0.02 0.00 -2.27 0.00 0.00 64.05 60.50 2dj3 n THR 16 Cb 0.50 0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.12 0.00 4.78 3.04 0.14 -0.19 116.94 124.59 2dj3 h PHE 17 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2dj3 h PHE 17 Cb 0.76 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.31 2dj3 h PHE 17 CO 0.01 -0.08 0.00 -0.25 -2.02 0.00 0.00 178.31 175.97 2dj3 n ASP 18 N -3.65 0.00 -0.11 0.41 8.00 -1.26 -0.66 116.55 119.27 2dj3 n ASP 18 Ca -0.02 0.42 -0.22 0.00 0.71 0.00 0.00 54.79 55.69 2dj3 n ASP 18 Cb 0.05 -0.43 -0.12 0.00 -0.02 0.00 0.00 41.12 40.61 2dj3 n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dj3 n ALA 19 N -1.43 1.28 -0.08 2.24 0.00 -1.23 -4.28 120.51 117.01 2dj3 n ALA 19 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2dj3 n ALA 19 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 -3.60 0.00 0.25 0.00 5.41 -0.08 -3.79 119.36 117.55 2dj3 n ILE 20 Ca -0.46 0.46 0.14 0.00 1.00 0.00 0.00 62.75 63.89 2dj3 n ILE 20 Cb 0.96 -1.45 0.63 0.00 -0.71 0.00 0.00 39.64 39.07 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 0.00 0.07 -0.67 1.39 2.07 -1.01 0.51 116.25 118.61 2dj3 h VAL 21 Ca 0.00 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 67.05 2dj3 h VAL 21 Cb 0.00 0.50 -0.31 0.00 -1.52 0.00 0.00 31.29 29.96 2dj3 h VAL 21 CO 0.00 0.00 -0.29 0.23 0.02 0.00 0.00 177.57 177.53 2dj3 n MET 22 N -3.00 2.92 -2.60 1.57 2.81 -0.56 -4.60 117.12 113.66 2dj3 n MET 22 Ca 0.02 -3.73 -0.43 0.00 -1.81 0.00 0.00 57.70 51.75 2dj3 n MET 22 Cb 0.62 -2.14 -0.02 0.00 -0.71 0.00 0.00 33.22 30.96 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 -2.99 6.64 0.00 7.83 1.01 0.18 -4.72 116.67 124.62 2dj3 s ASP 23 Ca 0.52 0.47 0.15 0.00 0.71 0.00 0.00 52.55 54.39 2dj3 s ASP 23 Cb 0.43 -2.55 0.73 0.00 1.01 0.00 0.00 42.92 42.54 2dj3 s ASP 23 CO 0.01 -1.25 1.41 -0.81 0.21 0.00 0.00 175.17 174.74 2dj3 n PRO 24 N 7.83 0.19 0.08 8.23 -0.04 -1.26 -2.74 135.00 147.29 2dj3 n PRO 24 Ca 0.12 0.16 -0.23 0.00 -0.04 0.00 0.00 63.50 63.51 2dj3 n PRO 24 Cb 0.49 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.41 -3.69 0.54 1.79 -1.91 -3.38 116.57 110.33 2dj3 h LYS 25 Ca 0.00 -0.70 -0.13 0.00 -2.18 0.00 0.00 60.65 57.65 2dj3 h LYS 25 Cb 0.15 0.26 -0.18 0.00 -1.58 0.00 0.00 32.23 30.88 2dj3 h LYS 25 CO 0.00 1.33 -0.49 -1.59 -1.08 0.00 0.00 179.45 177.62 2dj3 s LYS 26 N -2.55 0.58 0.18 3.15 -2.85 -1.11 -4.93 119.74 112.22 2dj3 s LYS 26 Ca -0.14 -0.64 -0.30 0.00 -1.00 0.00 0.00 55.97 53.88 2dj3 s LYS 26 Cb 0.04 0.23 -0.08 0.00 -2.06 0.00 0.00 37.83 35.97 2dj3 s LYS 26 CO 0.87 -0.15 1.22 -0.51 0.10 0.00 0.00 175.35 176.88 2dj3 s ASP 27 N -1.94 7.04 -0.21 0.03 1.11 -0.74 -4.32 116.67 117.65 2dj3 s ASP 27 Ca -0.07 2.26 0.01 0.00 0.18 0.00 0.00 52.55 54.93 2dj3 s ASP 27 Cb -0.03 -2.61 0.05 0.00 1.07 0.00 0.00 42.92 41.40 2dj3 s ASP 27 CO -0.03 -0.41 -0.09 -0.69 1.18 0.00 0.00 175.17 175.13 2dj3 s VAL 28 N 0.02 1.60 -0.63 -1.27 1.01 -0.75 -2.57 120.40 117.82 2dj3 s VAL 28 Ca 0.54 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 2dj3 s VAL 28 Cb -0.33 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.36 2dj3 s VAL 28 CO 0.37 0.10 1.06 -0.22 0.00 0.00 0.00 175.10 176.41 2dj3 s LEU 29 N 1.40 3.86 -0.02 3.92 2.96 -1.23 -2.73 118.68 126.84 2dj3 s LEU 29 Ca -0.03 -0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 53.25 2dj3 s LEU 29 Cb -0.17 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.75 2dj3 s LEU 29 CO -0.08 -1.46 0.49 -0.51 -1.32 0.00 0.00 176.35 173.47 2dj3 s ILE 30 N 4.54 4.99 -0.24 6.68 1.10 0.45 -2.32 121.20 136.40 2dj3 s ILE 30 Ca 0.31 1.01 0.01 0.00 -0.51 0.00 0.00 60.65 61.48 2dj3 s ILE 30 Cb -0.12 -3.81 0.06 0.00 0.15 0.00 0.00 42.46 38.74 2dj3 s ILE 30 CO 0.17 0.48 -0.07 -0.70 -2.11 0.00 0.00 174.94 172.71 2dj3 s GLU 31 N -0.50 1.78 -0.51 3.50 -6.30 -1.13 0.46 118.70 116.00 2dj3 s GLU 31 Ca 0.26 -1.04 -0.28 0.00 -2.50 0.00 0.00 54.97 51.41 2dj3 s GLU 31 Cb -0.17 -2.63 0.01 0.00 0.00 0.00 0.00 34.13 31.34 2dj3 s GLU 31 CO 0.14 -0.57 1.43 -0.06 0.02 0.00 0.00 175.26 176.22 2dj3 s PHE 32 N 1.34 2.31 0.09 5.30 0.08 0.40 -2.08 117.98 125.41 2dj3 s PHE 32 Ca -0.06 0.56 0.05 0.00 0.12 0.00 0.00 56.93 57.60 2dj3 s PHE 32 Cb -0.19 -4.35 -0.04 0.00 -0.57 0.00 0.00 43.02 37.87 2dj3 s PHE 32 CO -0.06 -1.99 0.00 1.52 -0.10 0.00 0.00 175.22 174.59 2dj3 s TYR 33 N 5.92 3.00 -0.16 0.36 -0.85 -0.78 -2.34 117.35 122.51 2dj3 s TYR 33 Ca 0.56 -0.02 -0.00 0.00 -0.52 0.00 0.00 57.07 57.09 2dj3 s TYR 33 Cb -0.12 -1.54 -0.01 0.00 0.38 0.00 0.00 41.96 40.67 2dj3 s TYR 33 CO 0.28 0.48 -0.13 0.00 -1.52 0.00 0.00 175.55 174.66 2dj3 s ALA 34 N -1.31 2.57 -1.85 9.51 0.00 -1.26 -4.18 121.76 125.23 2dj3 s ALA 34 Ca 0.26 -1.02 0.15 0.00 0.00 0.00 0.00 51.96 51.35 2dj3 s ALA 34 Cb -0.12 -1.28 0.88 0.00 0.00 0.00 0.00 23.12 22.60 2dj3 s ALA 34 CO 0.18 -0.01 1.36 -0.35 0.00 0.00 0.00 175.76 176.95 2dj3 n PRO 35 N 4.01 0.41 -0.13 0.00 -0.04 -1.26 -2.04 135.00 135.95 2dj3 n PRO 35 Ca -0.19 0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.40 2dj3 n PRO 35 Cb 0.52 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.07 0.00 -4.84 0.54 4.27 -1.26 -5.02 117.44 110.05 2dj3 n TRP 36 Ca 0.10 -0.97 -0.31 0.00 -3.89 0.00 0.00 57.50 52.43 2dj3 n TRP 36 Cb 0.07 -0.15 -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 4.77 0.20 1.75 0.00 0.00 -1.95 -3.30 103.07 104.54 2dj3 h GLY 38 Ca -0.47 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.35 2dj3 h GLY 38 CO 0.46 0.45 0.08 1.42 0.00 0.00 0.00 176.54 178.95 2dj3 n HIS 39 N -4.19 0.34 0.04 5.60 8.25 -1.26 -0.61 115.22 123.40 2dj3 n HIS 39 Ca -0.20 0.18 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 2dj3 n HIS 39 Cb 0.76 -0.72 -0.14 0.00 1.12 0.00 0.00 29.99 31.01 2dj3 n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dj3 h LYS 41 N 0.05 0.00 -0.11 0.00 2.10 -0.96 -1.56 116.57 116.09 2dj3 h LYS 41 Ca -0.24 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.18 2dj3 h LYS 41 Cb 1.99 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.33 2dj3 h LYS 41 CO 0.14 0.21 -0.83 1.96 -2.00 0.00 0.00 179.45 178.93 2dj3 h GLN 42 N 0.00 0.71 0.00 0.07 4.20 -1.64 -3.18 115.11 115.27 2dj3 h GLN 42 Ca -0.00 -0.62 -0.09 0.00 0.06 0.00 0.00 58.65 58.00 2dj3 h GLN 42 Cb 0.48 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2dj3 h GLN 42 CO 0.03 1.23 -0.41 1.25 -0.67 0.00 0.00 178.83 180.26 2dj3 h LEU 43 N 0.46 0.00 -0.68 1.46 5.85 -1.55 -3.35 115.31 117.50 2dj3 h LEU 43 Ca -0.07 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.72 2dj3 h LEU 43 Cb 1.46 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.41 2dj3 h LEU 43 CO 0.16 0.41 -0.40 -0.62 -0.34 0.00 0.00 178.44 177.65 2dj3 n GLU 44 N -3.34 -0.30 -0.08 1.25 -0.58 -0.62 0.29 120.64 117.26 2dj3 n GLU 44 Ca 0.01 1.03 -0.13 0.00 -0.42 0.00 0.00 57.16 57.65 2dj3 n GLU 44 Cb 0.61 -1.52 -0.05 0.00 -0.57 0.00 0.00 31.44 29.91 2dj3 n GLU 44 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dj3 h PRO 45 N 0.00 0.58 -0.74 3.49 0.13 -1.77 -2.42 132.00 131.27 2dj3 h PRO 45 Ca 0.11 -0.30 0.16 0.00 -0.87 0.00 0.00 66.00 65.10 2dj3 h PRO 45 Cb 0.29 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.38 2dj3 h PRO 45 CO -0.64 0.89 0.50 0.82 -0.23 0.00 0.00 178.00 179.34 2dj3 h ILE 46 N 0.28 0.76 0.16 -3.56 2.04 -0.71 -0.70 117.51 115.78 2dj3 h ILE 46 Ca 0.04 -0.11 -0.30 0.00 1.00 0.00 0.00 64.86 65.49 2dj3 h ILE 46 Cb 0.79 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2dj3 h ILE 46 CO 0.06 0.06 -1.39 0.22 0.00 0.00 0.00 178.15 177.10 2dj3 h TYR 47 N 0.32 0.63 0.03 1.37 3.20 -0.09 -3.05 116.97 119.38 2dj3 h TYR 47 Ca 0.36 -0.46 0.02 0.00 3.14 0.00 0.00 58.73 61.79 2dj3 h TYR 47 Cb 0.96 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.15 2dj3 h TYR 47 CO -0.00 1.40 -0.52 1.15 -1.64 0.00 0.00 178.16 178.54 2dj3 h THR 48 N 0.09 0.02 -0.33 1.81 2.02 -0.61 0.13 112.91 116.05 2dj3 h THR 48 Ca -0.20 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 2dj3 h THR 48 Cb 2.04 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 2dj3 h THR 48 CO 0.21 0.00 -0.07 0.28 0.37 0.00 0.00 175.52 176.32 2dj3 h SER 49 N -0.68 0.51 0.11 4.18 0.02 -1.65 -0.71 113.55 115.33 2dj3 h SER 49 Ca 0.01 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2dj3 h SER 49 Cb 0.73 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 2dj3 h SER 49 CO -0.34 0.63 -0.11 0.25 -1.14 0.00 0.00 176.83 176.12 2dj3 h LEU 50 N 0.50 0.00 0.00 5.07 5.85 -1.20 -1.46 115.31 124.07 2dj3 h LEU 50 Ca 0.10 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.64 2dj3 h LEU 50 Cb 0.43 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2dj3 h LEU 50 CO 0.02 0.11 -1.04 1.23 -0.34 0.00 0.00 178.44 178.42 2dj3 h GLY 51 N 0.33 0.00 1.78 3.75 0.00 -0.19 -2.80 103.07 105.94 2dj3 h GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dj3 h GLY 51 CO 0.01 0.00 0.10 0.07 0.00 0.00 0.00 176.54 176.73 2dj3 h LYS 52 N -1.00 0.00 0.08 4.80 2.10 -1.14 0.72 116.57 122.12 2dj3 h LYS 52 Ca -0.27 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.01 2dj3 h LYS 52 Cb 1.14 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.44 2dj3 h LYS 52 CO -0.16 0.00 -2.16 0.36 -2.00 0.00 0.00 179.45 175.49 2dj3 n LYS 53 N -2.86 0.71 0.00 0.07 2.85 -0.55 -4.17 118.16 114.21 2dj3 n LYS 53 Ca -0.02 0.23 0.14 0.00 -1.05 0.00 0.00 58.31 57.61 2dj3 n LYS 53 Cb 0.16 -1.64 0.63 0.00 -0.65 0.00 0.00 35.03 33.53 2dj3 n LYS 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2dj3 n TYR 54 N -3.45 0.00 -0.31 5.58 4.02 -0.63 -3.83 117.16 118.54 2dj3 n TYR 54 Ca -0.37 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.47 2dj3 n TYR 54 Cb 1.01 -0.18 0.08 0.00 -0.02 0.00 0.00 39.34 40.24 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 0.56 1.17 -0.98 -0.72 2.10 0.24 -1.97 116.57 116.97 2dj3 h LYS 55 Ca 0.00 -0.12 -0.05 0.00 -2.00 0.00 0.00 60.65 58.48 2dj3 h LYS 55 Cb 0.34 -0.24 -0.03 0.00 -0.90 0.00 0.00 32.23 31.41 2dj3 h LYS 55 CO 0.00 0.84 0.06 0.41 -2.00 0.00 0.00 179.45 178.76 2dj3 n GLY 56 N -1.17 2.15 3.96 0.07 0.00 -1.25 -4.87 105.19 104.08 2dj3 n GLY 56 Ca 0.09 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2dj3 n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dj3 s GLN 57 N -0.69 1.06 -0.41 1.61 -1.52 -0.74 -5.04 119.66 113.93 2dj3 s GLN 57 Ca 0.08 -0.76 -0.19 0.00 -1.95 0.00 0.00 55.36 52.53 2dj3 s GLN 57 Cb 0.06 -2.06 0.02 0.00 -0.22 0.00 0.00 33.01 30.81 2dj3 s GLN 57 CO 0.02 -2.01 0.55 0.15 -0.25 0.00 0.00 175.29 173.75 2dj3 s LYS 58 N -5.56 3.32 -1.30 2.91 -0.14 -1.26 -4.35 119.74 113.37 2dj3 s LYS 58 Ca 0.71 -0.42 -0.01 0.00 -1.36 0.00 0.00 55.97 54.90 2dj3 s LYS 58 Cb -0.04 -3.92 -0.00 0.00 -1.68 0.00 0.00 37.83 32.19 2dj3 s LYS 58 CO 0.49 -0.87 0.71 -0.25 -0.76 0.00 0.00 175.35 174.67 2dj3 n ASP 59 N 5.95 -1.34 -3.73 2.83 9.92 -1.26 -4.68 116.55 124.24 2dj3 n ASP 59 Ca -0.04 -0.82 -0.12 0.00 -0.53 0.00 0.00 54.79 53.28 2dj3 n ASP 59 Cb 0.48 -4.07 -0.12 0.00 -0.64 0.00 0.00 41.12 36.76 2dj3 n ASP 59 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2dj3 s LEU 60 N -6.64 0.45 -0.21 0.64 2.96 -1.26 -1.79 118.68 112.82 2dj3 s LEU 60 Ca 0.02 0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 54.46 2dj3 s LEU 60 Cb -0.01 0.84 0.08 0.00 0.50 0.00 0.00 46.19 47.60 2dj3 s LEU 60 CO 0.81 -0.16 0.11 -0.69 -1.32 0.00 0.00 176.35 175.11 2dj3 s VAL 61 N 1.08 -0.10 -0.46 1.68 1.01 -1.06 -4.55 120.40 118.00 2dj3 s VAL 61 Ca -0.08 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 2dj3 s VAL 61 Cb -0.09 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.58 2dj3 s VAL 61 CO -0.08 -0.44 1.46 -0.63 0.00 0.00 0.00 175.10 175.42 2dj3 s ILE 62 N 2.14 3.81 0.26 2.22 1.01 -1.26 -3.53 121.20 125.84 2dj3 s ILE 62 Ca 0.05 0.77 0.10 0.00 0.00 0.00 0.00 60.65 61.57 2dj3 s ILE 62 Cb -0.16 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 2dj3 s ILE 62 CO -0.19 -0.88 -0.16 0.00 0.00 0.00 0.00 174.94 173.71 2dj3 s ALA 63 N 5.91 2.49 0.40 9.38 0.00 -0.98 -2.81 121.76 136.14 2dj3 s ALA 63 Ca 0.60 -1.82 0.08 0.00 0.00 0.00 0.00 51.96 50.81 2dj3 s ALA 63 Cb -0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 23.12 22.76 2dj3 s ALA 63 CO 0.30 0.17 0.03 -1.59 0.00 0.00 0.00 175.76 174.67 2dj3 s LYS 64 N -3.58 2.01 -0.05 0.00 -2.85 0.14 -2.85 119.74 112.56 2dj3 s LYS 64 Ca 0.28 -2.00 -0.27 0.00 -1.00 0.00 0.00 55.97 52.98 2dj3 s LYS 64 Cb -0.02 -1.75 0.06 0.00 -2.06 0.00 0.00 37.83 34.06 2dj3 s LYS 64 CO 0.12 -0.02 0.59 1.41 0.10 0.00 0.00 175.35 177.55 2dj3 s MET 65 N -3.74 0.95 -0.54 1.78 1.75 -0.89 0.06 119.30 118.67 2dj3 s MET 65 Ca 0.36 0.19 -0.15 0.00 -1.25 0.00 0.00 55.69 54.84 2dj3 s MET 65 Cb 0.07 0.44 0.13 0.00 2.84 0.00 0.00 34.83 38.32 2dj3 s MET 65 CO 0.19 -0.28 0.49 0.34 -0.65 0.00 0.00 175.02 175.10 2dj3 s ASP 66 N -1.14 6.13 0.58 1.11 2.15 -1.26 -1.86 116.67 122.38 2dj3 s ASP 66 Ca -0.11 -1.87 0.36 0.00 0.43 0.00 0.00 52.55 51.36 2dj3 s ASP 66 Cb -0.01 -2.17 1.71 0.00 -0.30 0.00 0.00 42.92 42.14 2dj3 s ASP 66 CO 0.08 -0.81 2.12 0.00 -0.17 0.00 0.00 175.17 176.39 2dj3 h ALA 67 N 8.74 1.06 -0.32 3.66 0.00 -1.75 0.13 119.26 130.78 2dj3 h ALA 67 Ca -0.26 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2dj3 h ALA 67 Cb 1.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2dj3 h ALA 67 CO 0.99 0.04 -0.19 1.79 0.00 0.00 0.00 179.25 181.88 2dj3 h THR 68 N 0.00 1.26 0.02 0.00 1.35 -1.91 -3.32 112.91 110.31 2dj3 h THR 68 Ca -0.00 -1.21 -0.40 0.00 -0.55 0.00 0.00 66.41 64.25 2dj3 h THR 68 Cb 0.33 1.23 -0.06 0.00 -1.73 0.00 0.00 68.15 67.91 2dj3 h THR 68 CO 0.00 0.40 -2.37 0.00 -0.25 0.00 0.00 175.52 173.30 2dj3 n ALA 69 N -2.49 1.26 -2.68 6.62 0.00 -0.95 -4.91 120.51 117.35 2dj3 n ALA 69 Ca 0.00 -1.01 -0.39 0.00 0.00 0.00 0.00 53.44 52.05 2dj3 n ALA 69 Cb 0.39 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.64 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 -6.90 6.62 -0.37 0.00 0.01 0.41 -5.04 114.94 109.68 2dj3 s ASN 70 Ca -0.34 0.75 -0.25 0.00 -0.71 0.00 0.00 52.86 52.30 2dj3 s ASN 70 Cb 0.10 -2.30 0.01 0.00 0.41 0.00 0.00 41.25 39.48 2dj3 s ASN 70 CO 0.59 -0.12 0.88 -1.81 -1.51 0.00 0.00 177.10 175.13 2dj3 s ASP 71 N 0.96 6.64 -0.74 -1.22 1.01 -1.26 -4.29 116.67 117.78 2dj3 s ASP 71 Ca 0.25 0.51 -0.26 0.00 0.71 0.00 0.00 52.55 53.76 2dj3 s ASP 71 Cb -0.15 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 2dj3 s ASP 71 CO 0.10 -0.82 1.80 -0.63 0.21 0.00 0.00 175.17 175.83 2dj3 s ILE 72 N 3.36 3.46 0.33 0.77 1.01 -1.26 -4.80 121.20 124.07 2dj3 s ILE 72 Ca 0.36 -0.01 0.36 0.00 0.00 0.00 0.00 60.65 61.36 2dj3 s ILE 72 Cb -0.12 -4.14 0.39 0.00 0.01 0.00 0.00 42.46 38.59 2dj3 s ILE 72 CO 0.18 -1.10 2.12 0.71 0.00 0.00 0.00 174.94 176.86 2dj3 h THR 73 N 6.90 0.11 -3.60 2.92 1.35 -1.93 -3.43 112.91 115.22 2dj3 h THR 73 Ca -0.12 -0.38 -0.52 0.00 -0.55 0.00 0.00 66.41 64.84 2dj3 h THR 73 Cb 1.09 1.33 0.05 0.00 -1.73 0.00 0.00 68.15 68.90 2dj3 h THR 73 CO 1.24 0.03 0.67 0.20 -0.25 0.00 0.00 175.52 177.41 2dj3 s ASN 74 N -5.61 6.78 0.00 5.36 -0.87 -1.26 -4.91 114.94 114.43 2dj3 s ASN 74 Ca -0.01 2.60 0.26 0.00 -1.57 0.00 0.00 52.86 54.14 2dj3 s ASN 74 Cb 0.11 -2.63 0.78 0.00 -0.02 0.00 0.00 41.25 39.49 2dj3 s ASN 74 CO 0.51 -0.57 1.58 -0.67 -2.57 0.00 0.00 177.10 175.38 2dj3 n ASP 75 N 1.73 0.92 -0.01 -1.22 2.03 -1.26 -3.86 116.55 114.88 2dj3 n ASP 75 Ca 0.04 -0.79 -0.12 0.00 0.52 0.00 0.00 54.79 54.44 2dj3 n ASP 75 Cb 0.42 0.12 -0.14 0.00 -0.72 0.00 0.00 41.12 40.80 2dj3 n ASP 75 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2dj3 h GLN 76 N 1.02 0.07 -4.76 -0.67 1.08 -1.91 -3.44 115.11 106.51 2dj3 h GLN 76 Ca 0.00 -0.13 -0.68 0.00 -1.45 0.00 0.00 58.65 56.40 2dj3 h GLN 76 Cb 0.49 0.05 -0.22 0.00 -0.05 0.00 0.00 27.48 27.75 2dj3 h GLN 76 CO 0.00 0.71 -0.55 0.71 -0.95 0.00 0.00 178.83 178.75 2dj3 s TYR 77 N -2.60 3.19 -0.02 2.96 1.51 -1.25 -4.74 117.35 116.40 2dj3 s TYR 77 Ca -0.08 -0.58 0.05 0.00 -1.01 0.00 0.00 57.07 55.44 2dj3 s TYR 77 Cb 0.08 -2.37 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 2dj3 s TYR 77 CO 0.82 -0.47 -0.15 0.15 -1.11 0.00 0.00 175.55 174.79 2dj3 s LYS 78 N 1.62 1.33 -0.38 -0.62 -0.14 -1.26 -4.77 119.74 115.52 2dj3 s LYS 78 Ca 0.04 -0.55 -0.08 0.00 -1.36 0.00 0.00 55.97 54.03 2dj3 s LYS 78 Cb -0.17 -1.25 0.05 0.00 -1.68 0.00 0.00 37.83 34.78 2dj3 s LYS 78 CO 0.07 0.30 0.19 0.08 -0.76 0.00 0.00 175.35 175.23 2dj3 s VAL 79 N -0.26 4.08 -0.04 3.17 1.01 -1.26 -4.90 120.40 122.21 2dj3 s VAL 79 Ca 0.04 -1.22 0.16 0.00 0.00 0.00 0.00 61.98 60.95 2dj3 s VAL 79 Cb -0.07 -3.39 -0.24 0.00 0.00 0.00 0.00 36.38 32.68 2dj3 s VAL 79 CO -0.00 -0.33 0.31 -0.62 0.00 0.00 0.00 175.10 174.45 2dj3 n GLU 80 N 4.88 0.63 -3.64 2.72 -0.58 -1.26 -5.00 120.64 118.38 2dj3 n GLU 80 Ca -0.11 -0.13 -0.08 0.00 -0.42 0.00 0.00 57.16 56.43 2dj3 n GLU 80 Cb 0.44 -1.38 -0.07 0.00 -0.57 0.00 0.00 31.44 29.87 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 -3.95 -0.38 0.08 0.62 0.00 -1.26 -5.17 107.32 97.26 2dj3 s GLY 81 Ca -0.06 2.56 -0.02 0.00 0.00 0.00 0.00 44.72 47.20 2dj3 s GLY 81 CO 0.65 2.23 0.26 -1.36 0.00 0.00 0.00 173.10 174.88 2dj3 s PHE 82 N 1.08 3.51 1.05 1.90 0.40 -1.26 -4.01 117.98 120.64 2dj3 s PHE 82 Ca -0.06 0.37 -0.14 0.00 -0.60 0.00 0.00 56.93 56.51 2dj3 s PHE 82 Cb -0.05 -1.85 0.21 0.00 0.51 0.00 0.00 43.02 41.84 2dj3 s PHE 82 CO -0.12 0.54 1.10 -1.25 0.70 0.00 0.00 175.22 176.19 2dj3 s PRO 83 N -2.49 0.02 -0.22 0.24 0.04 -1.26 -4.79 135.00 126.53 2dj3 s PRO 83 Ca 0.36 0.38 -0.04 0.00 0.04 0.00 0.00 61.00 61.74 2dj3 s PRO 83 Cb -0.13 -1.70 0.12 0.00 0.04 0.00 0.00 34.50 32.83 2dj3 s PRO 83 CO 0.26 -2.98 0.38 0.99 0.04 0.00 0.00 177.00 175.68 2dj3 s THR 84 N -2.97 -0.59 -0.01 1.26 2.01 -0.99 -5.00 115.64 109.34 2dj3 s THR 84 Ca 0.67 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.70 2dj3 s THR 84 Cb -0.17 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 2dj3 s THR 84 CO 0.57 -0.06 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.81 2dj3 s ILE 85 N 2.55 4.14 -0.05 1.82 1.01 -1.26 0.15 121.20 129.55 2dj3 s ILE 85 Ca 0.08 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 2dj3 s ILE 85 Cb -0.14 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.53 2dj3 s ILE 85 CO -0.14 0.40 0.12 -0.31 0.00 0.00 0.00 174.94 175.01 2dj3 s TYR 86 N -1.06 -0.12 -0.35 3.97 2.02 0.17 -2.90 117.35 119.08 2dj3 s TYR 86 Ca 0.19 0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 57.14 2dj3 s TYR 86 Cb -0.11 -0.06 0.01 0.00 -0.40 0.00 0.00 41.96 41.39 2dj3 s TYR 86 CO 0.09 -0.12 0.20 0.12 -1.57 0.00 0.00 175.55 174.28 2dj3 s PHE 87 N 0.79 3.22 -0.61 2.71 2.19 0.15 -0.41 117.98 126.02 2dj3 s PHE 87 Ca -0.06 -0.70 -0.13 0.00 0.33 0.00 0.00 56.93 56.36 2dj3 s PHE 87 Cb -0.08 -2.43 0.15 0.00 -1.31 0.00 0.00 43.02 39.35 2dj3 s PHE 87 CO -0.04 -0.55 0.54 0.00 1.83 0.00 0.00 175.22 177.01 2dj3 s ALA 88 N 1.61 3.71 0.08 11.12 0.00 -1.11 -2.76 121.76 134.41 2dj3 s ALA 88 Ca 0.04 -2.80 -0.31 0.00 0.00 0.00 0.00 51.96 48.89 2dj3 s ALA 88 Cb -0.18 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 2dj3 s ALA 88 CO 0.07 -2.07 1.39 -1.25 0.00 0.00 0.00 175.76 173.90 2dj3 s PRO 89 N 1.05 4.31 -0.35 0.00 0.04 -1.26 -1.81 135.00 136.98 2dj3 s PRO 89 Ca 0.09 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.89 2dj3 s PRO 89 Cb -0.23 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 30.90 2dj3 s PRO 89 CO -0.01 -0.47 2.30 -1.54 0.04 0.00 0.00 177.00 177.31 2dj3 s SER 90 N 1.36 4.98 0.00 6.66 1.04 -1.26 -1.40 113.70 125.07 2dj3 s SER 90 Ca 0.64 1.49 0.00 0.00 0.48 0.00 0.00 55.95 58.56 2dj3 s SER 90 Cb -0.35 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.26 2dj3 s SER 90 CO 0.29 -2.40 0.00 0.61 0.98 0.00 0.00 173.24 172.73 2dj3 n GLY 91 N 5.87 1.30 0.83 7.32 0.00 -1.26 -4.89 105.19 114.36 2dj3 n GLY 91 Ca 0.33 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 1.73 -0.36 1.61 8.00 -0.50 -4.80 116.55 122.23 2dj3 n ASP 92 Ca 0.00 -3.57 0.04 0.00 0.71 0.00 0.00 54.79 51.97 2dj3 n ASP 92 Cb 0.00 -0.48 0.20 0.00 -0.02 0.00 0.00 41.12 40.82 2dj3 n ASP 92 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2dj3 h LYS 93 N 1.06 1.07 -1.63 -1.24 1.57 -1.63 -1.98 116.57 113.79 2dj3 h LYS 93 Ca -0.02 -0.06 0.47 0.00 -1.87 0.00 0.00 60.65 59.17 2dj3 h LYS 93 Cb 1.17 -0.24 -0.07 0.00 0.08 0.00 0.00 32.23 33.17 2dj3 h LYS 93 CO 0.05 0.71 1.18 1.63 -0.57 0.00 0.00 179.45 182.45 2dj3 n LYS 94 N -4.54 0.00 -3.81 3.15 4.76 -1.26 -2.47 118.16 113.99 2dj3 n LYS 94 Ca 0.17 0.89 -0.34 0.00 -2.87 0.00 0.00 58.31 56.16 2dj3 n LYS 94 Cb 0.25 -2.06 -0.11 0.00 -1.84 0.00 0.00 35.03 31.27 2dj3 n LYS 94 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2dj3 s ASN 95 N -3.88 4.94 0.45 4.39 0.01 -0.75 -4.89 114.94 115.20 2dj3 s ASN 95 Ca -0.04 -2.81 -0.23 0.00 -0.71 0.00 0.00 52.86 49.06 2dj3 s ASN 95 Cb 0.22 -1.78 -0.08 0.00 0.41 0.00 0.00 41.25 40.03 2dj3 s ASN 95 CO 0.73 -0.34 1.17 -2.16 -1.51 0.00 0.00 177.10 175.00 2dj3 s PRO 96 N -0.00 3.82 -0.25 -0.60 0.04 -1.03 -4.83 135.00 132.14 2dj3 s PRO 96 Ca 0.16 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2dj3 s PRO 96 Cb -0.22 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 31.86 2dj3 s PRO 96 CO -0.03 -0.51 -0.03 0.42 0.04 0.00 0.00 177.00 176.89 2dj3 s ILE 97 N -1.51 3.20 0.02 0.56 1.01 -1.11 -4.95 121.20 118.42 2dj3 s ILE 97 Ca 0.62 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 2dj3 s ILE 97 Cb -0.29 -2.58 -0.06 0.00 0.01 0.00 0.00 42.46 39.54 2dj3 s ILE 97 CO 0.36 0.25 0.43 -0.75 0.00 0.00 0.00 174.94 175.23 2dj3 s LYS 98 N 1.40 3.95 -0.40 2.79 2.20 -1.26 -0.68 119.74 127.74 2dj3 s LYS 98 Ca 0.02 0.44 -0.25 0.00 -0.36 0.00 0.00 55.97 55.82 2dj3 s LYS 98 Cb -0.16 -3.20 0.02 0.00 -1.51 0.00 0.00 37.83 32.98 2dj3 s LYS 98 CO -0.03 0.67 0.92 0.12 -0.36 0.00 0.00 175.35 176.67 2dj3 s PHE 99 N -1.11 3.03 -0.33 4.03 5.36 -1.14 -4.91 117.98 122.91 2dj3 s PHE 99 Ca 0.25 0.64 0.10 0.00 -0.96 0.00 0.00 56.93 56.97 2dj3 s PHE 99 Cb -0.17 -3.73 0.46 0.00 -0.34 0.00 0.00 43.02 39.24 2dj3 s PHE 99 CO 0.14 -0.90 1.12 0.39 -1.46 0.00 0.00 175.22 174.52 2dj3 n GLU 100 N 6.87 2.94 -1.41 10.12 -0.58 -1.26 -4.82 120.64 132.49 2dj3 n GLU 100 Ca 0.06 -4.05 -0.27 0.00 -0.42 0.00 0.00 57.16 52.49 2dj3 n GLU 100 Cb 0.48 -2.03 -0.02 0.00 -0.57 0.00 0.00 31.44 29.30 2dj3 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dj3 n GLY 101 N -0.54 4.50 7.00 0.62 0.00 -1.26 -4.97 105.19 110.54 2dj3 n GLY 101 Ca 0.32 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 0.54 0.62 3.52 -0.02 0.00 -1.26 -4.37 105.19 104.22 2dj3 n GLY 102 Ca 0.47 0.82 -0.43 0.00 0.00 0.00 0.00 46.02 46.88 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 3.78 2.29 -4.47 1.61 3.02 -1.26 -4.86 115.26 115.36 2dj3 n ASN 103 Ca 0.00 0.04 -0.44 0.00 -0.03 0.00 0.00 54.58 54.15 2dj3 n ASN 103 Cb 0.00 -1.40 -0.00 0.00 -0.61 0.00 0.00 39.78 37.76 2dj3 n ASN 103 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2dj3 s ARG 104 N 7.19 4.01 0.46 3.52 3.52 -1.26 -4.63 118.95 131.77 2dj3 s ARG 104 Ca 1.07 -2.41 0.03 0.00 -0.13 0.00 0.00 55.73 54.28 2dj3 s ARG 104 Cb -0.55 -5.09 -0.01 0.00 -1.56 0.00 0.00 34.95 27.74 2dj3 s ARG 104 CO 0.38 -1.81 0.09 -0.51 -0.81 0.00 0.00 175.30 172.64 2dj3 s ASP 105 N 3.08 3.39 0.40 -2.12 1.01 -1.26 -4.92 116.67 116.24 2dj3 s ASP 105 Ca 0.42 -1.72 0.20 0.00 0.71 0.00 0.00 52.55 52.17 2dj3 s ASP 105 Cb -0.02 0.62 0.81 0.00 1.01 0.00 0.00 42.92 45.34 2dj3 s ASP 105 CO -0.01 -0.96 1.80 0.25 0.21 0.00 0.00 175.17 176.46 2dj3 h LEU 106 N 1.56 0.00 -0.07 1.23 5.85 -1.93 0.25 115.31 122.19 2dj3 h LEU 106 Ca -0.38 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.15 2dj3 h LEU 106 Cb 1.30 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 2dj3 h LEU 106 CO 0.61 0.32 -0.94 -0.08 -0.34 0.00 0.00 178.44 178.02 2dj3 h GLU 107 N 0.00 0.00 0.12 1.25 4.81 -1.96 -2.97 114.58 115.83 2dj3 h GLU 107 Ca -0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 2dj3 h GLU 107 Cb 0.79 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 2dj3 h GLU 107 CO 0.04 0.94 -1.90 0.45 -0.73 0.00 0.00 179.01 177.81 2dj3 h HIS 108 N 0.00 0.44 0.22 0.92 3.86 -1.77 -3.31 115.15 115.52 2dj3 h HIS 108 Ca -0.01 -0.32 -0.01 0.00 -1.16 0.00 0.00 60.37 58.87 2dj3 h HIS 108 Cb 1.69 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.14 2dj3 h HIS 108 CO 0.00 1.64 -0.11 -0.07 0.86 0.00 0.00 177.93 180.26 2dj3 h LEU 109 N 0.07 -0.25 -1.60 2.43 3.38 -0.63 -2.12 115.31 116.59 2dj3 h LEU 109 Ca -0.38 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.65 2dj3 h LEU 109 Cb 2.04 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.82 2dj3 h LEU 109 CO 0.10 -0.13 0.42 0.77 0.09 0.00 0.00 178.44 179.69 2dj3 h SER 110 N -0.34 0.41 1.13 -0.43 4.64 -1.71 0.37 113.55 117.61 2dj3 h SER 110 Ca -0.03 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2dj3 h SER 110 Cb 0.26 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2dj3 h SER 110 CO 0.05 0.25 0.00 0.11 -0.87 0.00 0.00 176.83 176.37 2dj3 h LYS 111 N 0.45 0.00 0.05 4.77 1.57 -1.54 -2.65 116.57 119.22 2dj3 h LYS 111 Ca 0.29 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.69 2dj3 h LYS 111 Cb 0.53 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 2dj3 h LYS 111 CO -0.08 0.00 -2.26 0.34 -0.57 0.00 0.00 179.45 176.87 2dj3 n PHE 112 N -2.50 0.50 0.15 -1.35 -0.00 1.00 -4.29 117.46 110.97 2dj3 n PHE 112 Ca 0.03 0.11 -0.06 0.00 -0.00 0.00 0.00 57.45 57.53 2dj3 n PHE 112 Cb 0.33 -1.06 -0.03 0.00 -0.00 0.00 0.00 39.48 38.72 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 -0.08 0.00 -0.39 -2.13 2.04 -0.70 -3.26 117.51 112.99 2dj3 h ILE 113 Ca -0.52 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.27 2dj3 h ILE 113 Cb 1.91 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 2dj3 h ILE 113 CO -0.05 0.00 -0.23 0.47 0.00 0.00 0.00 178.15 178.34 2dj3 n ASP 114 N -3.36 -0.42 -0.27 1.72 8.00 -1.00 0.71 116.55 121.92 2dj3 n ASP 114 Ca -0.05 1.00 0.03 0.00 0.71 0.00 0.00 54.79 56.48 2dj3 n ASP 114 Cb 0.16 -0.24 0.08 0.00 -0.02 0.00 0.00 41.12 41.10 2dj3 n ASP 114 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2dj3 n GLU 115 N -3.93 -0.10 -0.03 -1.24 1.02 -1.25 0.23 120.64 115.34 2dj3 n GLU 115 Ca 0.01 1.15 -0.15 0.00 -0.02 0.00 0.00 57.16 58.15 2dj3 n GLU 115 Cb 0.10 -1.71 -0.09 0.00 -0.02 0.00 0.00 31.44 29.72 2dj3 n GLU 115 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dj3 h HIS 116 N 0.00 0.42 0.00 -0.32 3.86 0.24 -3.41 115.15 115.94 2dj3 h HIS 116 Ca 0.33 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2dj3 h HIS 116 Cb 0.51 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.91 2dj3 h HIS 116 CO -0.59 0.90 0.00 0.00 0.86 0.00 0.00 177.93 179.10 2dj3 n ALA 117 N -2.49 0.00 -3.92 2.45 0.00 0.22 -4.86 120.51 111.90 2dj3 n ALA 117 Ca -0.08 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.02 2dj3 n ALA 117 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.34 -0.40 -4.10 0.00 5.66 0.64 -0.63 114.28 114.11 2dj3 n THR 118 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 2dj3 n THR 118 Cb 0.00 -0.91 -0.07 0.00 -1.55 0.00 0.00 70.33 67.80 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 -3.80 -0.81 0.29 1.09 5.02 -1.26 -4.67 118.16 114.02 2dj3 n LYS 119 Ca 0.07 0.11 0.10 0.00 -2.02 0.00 0.00 58.31 56.57 2dj3 n LYS 119 Cb 0.48 -3.76 0.55 0.00 -0.02 0.00 0.00 35.03 32.28 2dj3 n LYS 119 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2dj3 h ARG 120 N -0.94 0.00 0.34 1.97 -0.00 -1.20 -1.22 114.38 113.33 2dj3 h ARG 120 Ca -0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.44 2dj3 h ARG 120 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.16 2dj3 h ARG 120 CO 0.72 0.00 -0.24 1.03 -0.00 0.00 0.00 179.97 181.49 2dj3 h SER 121 N 0.00 -0.61 -3.47 0.08 0.87 -1.84 -3.35 113.55 105.23 2dj3 h SER 121 Ca 0.00 0.04 -0.62 0.00 -1.23 0.00 0.00 61.79 59.98 2dj3 h SER 121 Cb 0.92 0.19 -0.41 0.00 -0.44 0.00 0.00 62.40 62.66 2dj3 h SER 121 CO 0.00 -0.37 -0.63 -0.60 -0.53 0.00 0.00 176.83 174.70 2dj3 s ARG 122 N -6.08 2.11 0.50 2.24 6.06 -0.46 -5.10 118.95 118.22 2dj3 s ARG 122 Ca -0.16 -2.93 -0.20 0.00 -2.50 0.00 0.00 55.73 49.94 2dj3 s ARG 122 Cb 0.06 -3.16 -0.08 0.00 0.06 0.00 0.00 34.95 31.83 2dj3 s ARG 122 CO 0.64 -1.23 1.05 -0.08 -2.50 0.00 0.00 175.30 173.18 2dj3 s THR 123 N -0.85 3.68 0.05 4.11 -1.32 -1.25 -4.99 115.64 115.08 2dj3 s THR 123 Ca 0.22 1.04 0.03 0.00 -1.21 0.00 0.00 61.69 61.78 2dj3 s THR 123 Cb -0.12 -3.42 -0.04 0.00 -1.51 0.00 0.00 72.50 67.41 2dj3 s THR 123 CO -0.10 -0.24 0.00 -0.75 -2.21 0.00 0.00 174.62 171.32 2dj3 s LYS 124 N -3.28 2.65 0.02 7.08 2.47 -1.26 -5.13 119.74 122.30 2dj3 s LYS 124 Ca 0.68 -0.74 0.00 0.00 -1.56 0.00 0.00 55.97 54.35 2dj3 s LYS 124 Cb -0.18 -2.60 -0.02 0.00 -1.46 0.00 0.00 37.83 33.58 2dj3 s LYS 124 CO 0.22 0.58 -0.03 -1.83 0.16 0.00 0.00 175.35 174.44 2dj3 s GLU 125 N -1.99 0.29 -0.26 4.03 -1.05 -1.26 -5.16 118.70 113.30 2dj3 s GLU 125 Ca 0.23 -0.55 -0.27 0.00 -0.15 0.00 0.00 54.97 54.23 2dj3 s GLU 125 Cb -0.12 0.06 0.17 0.00 -0.44 0.00 0.00 34.13 33.81 2dj3 s GLU 125 CO 0.15 -0.04 1.26 -2.00 0.95 0.00 0.00 175.26 175.59 2dj3 s GLU 126 N -1.29 0.24 -0.08 -4.83 2.56 -1.26 -5.16 118.70 108.88 2dj3 s GLU 126 Ca -0.14 0.15 0.03 0.00 0.00 0.00 0.00 54.97 55.02 2dj3 s GLU 126 Cb -0.09 0.11 0.01 0.00 2.00 0.00 0.00 34.13 36.16 2dj3 s GLU 126 CO -0.01 -0.06 -0.17 -1.17 -0.56 0.00 0.00 175.26 173.29 2dj3 s LEU 127 N -0.51 1.85 -0.04 2.70 0.20 -1.26 -5.12 118.68 116.50 2dj3 s LEU 127 Ca 0.05 -0.41 -0.25 0.00 0.69 0.00 0.00 54.13 54.22 2dj3 s LEU 127 Cb -0.03 -1.07 -0.04 0.00 -0.43 0.00 0.00 46.19 44.62 2dj3 s LEU 127 CO -0.08 0.10 0.76 -0.55 -0.29 0.00 0.00 176.35 176.28 2dj3 s SER 128 N 0.47 7.08 0.00 3.68 0.15 -1.26 -4.69 113.70 119.13 2dj3 s SER 128 Ca -0.15 1.31 0.00 0.00 0.70 0.00 0.00 55.95 57.80 2dj3 s SER 128 Cb -0.16 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2dj3 s SER 128 CO 0.06 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2dj3 n GLY 129 N 2.98 0.97 3.77 9.45 0.00 -1.26 -5.10 105.19 116.00 2dj3 n GLY 129 Ca -0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 2.41 -1.34 1.61 0.04 -1.26 -3.85 135.00 132.60 2dj3 s PRO 130 Ca 0.00 1.23 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 2dj3 s PRO 130 Cb 0.00 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.64 2dj3 s PRO 130 CO 0.00 -1.53 0.45 0.43 0.04 0.00 0.00 177.00 176.38 2dj3 n SER 131 N -3.20 -2.02 0.00 6.66 7.64 -1.26 -4.80 113.62 116.64 2dj3 n SER 131 Ca 0.09 -1.18 0.15 0.00 1.01 0.00 0.00 58.87 58.94 2dj3 n SER 131 Cb 0.53 -2.24 0.88 0.00 -1.01 0.00 0.00 64.21 62.37 2dj3 n SER 131 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dj3 n SER 132 N -2.63 0.00 -0.45 6.43 3.41 -1.25 -5.07 113.62 114.06 2dj3 n SER 132 Ca -0.22 -1.02 0.06 0.00 -0.26 0.00 0.00 58.87 57.44 2dj3 n SER 132 Cb 0.63 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.63 2dj3 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49