#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 6.29 -4.76 1.61 7.64 -1.26 -5.00 113.62 118.14 2dj3 n SER 2 Ca 0.00 -3.77 -0.37 0.00 1.01 0.00 0.00 58.87 55.73 2dj3 n SER 2 Cb 0.00 -0.67 -0.06 0.00 -1.01 0.00 0.00 64.21 62.46 2dj3 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dj3 s SER 3 N -2.66 6.65 -0.21 6.43 0.15 -1.26 -5.07 113.70 117.73 2dj3 s SER 3 Ca 0.57 0.77 -0.08 0.00 0.70 0.00 0.00 55.95 57.91 2dj3 s SER 3 Cb 0.45 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 2dj3 s SER 3 CO -0.03 0.13 0.09 -0.83 1.20 0.00 0.00 173.24 173.79 2dj3 s GLY 4 N 0.07 1.90 -0.03 9.45 0.00 -1.26 -5.07 107.32 112.38 2dj3 s GLY 4 Ca 0.23 -0.86 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 2dj3 s GLY 4 CO 0.09 0.24 0.97 -0.45 0.00 0.00 0.00 173.10 173.95 2dj3 s SER 5 N 0.81 -0.30 -0.20 1.64 0.15 -1.26 -5.13 113.70 109.41 2dj3 s SER 5 Ca 0.05 -0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.37 2dj3 s SER 5 Cb -0.13 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 2dj3 s SER 5 CO 0.02 -0.56 1.33 -0.55 1.20 0.00 0.00 173.24 174.69 2dj3 s SER 6 N -2.46 6.80 0.00 5.45 0.15 -1.26 -4.76 113.70 117.62 2dj3 s SER 6 Ca 0.07 1.60 0.00 0.00 0.70 0.00 0.00 55.95 58.32 2dj3 s SER 6 Cb -0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2dj3 s SER 6 CO -0.07 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.08 2dj3 n GLY 7 N 3.92 -1.99 0.08 9.45 0.00 -1.26 -4.88 105.19 110.51 2dj3 n GLY 7 Ca 0.15 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 2dj3 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj3 h PRO 8 N 0.00 -0.06 -6.28 1.61 0.13 -1.85 -3.44 132.00 122.11 2dj3 h PRO 8 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.53 2dj3 h PRO 8 Cb 0.00 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.16 2dj3 h PRO 8 CO 0.00 0.41 1.12 0.28 -0.23 0.00 0.00 178.00 179.58 2dj3 n VAL 9 N -4.89 0.61 -2.57 1.56 0.31 -1.26 -4.81 118.33 107.28 2dj3 n VAL 9 Ca -0.08 -0.11 -0.41 0.00 -0.01 0.00 0.00 64.34 63.73 2dj3 n VAL 9 Cb 0.25 -1.93 -0.04 0.00 -0.91 0.00 0.00 33.84 31.21 2dj3 n VAL 9 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2dj3 s LYS 10 N 4.16 4.64 0.01 5.55 2.20 -1.16 -4.84 119.74 130.31 2dj3 s LYS 10 Ca 0.93 1.66 -0.17 0.00 -0.36 0.00 0.00 55.97 58.03 2dj3 s LYS 10 Cb -0.67 -3.29 -0.06 0.00 -1.51 0.00 0.00 37.83 32.31 2dj3 s LYS 10 CO 0.51 0.15 0.48 0.14 -0.36 0.00 0.00 175.35 176.27 2dj3 s VAL 11 N -0.35 4.93 -0.05 4.02 -7.23 -1.26 -0.76 120.40 119.70 2dj3 s VAL 11 Ca 0.48 1.01 0.05 0.00 -1.81 0.00 0.00 61.98 61.71 2dj3 s VAL 11 Cb -0.28 -3.80 -0.01 0.00 0.56 0.00 0.00 36.38 32.85 2dj3 s VAL 11 CO 0.34 0.54 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.78 2dj3 s VAL 12 N -0.87 1.62 0.39 1.32 1.01 0.15 -4.88 120.40 119.14 2dj3 s VAL 12 Ca 0.26 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2dj3 s VAL 12 Cb -0.18 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2dj3 s VAL 12 CO 0.15 0.46 0.25 0.68 0.00 0.00 0.00 175.10 176.64 2dj3 s VAL 13 N -0.02 2.71 0.45 2.92 -7.23 -1.26 -4.27 120.40 113.69 2dj3 s VAL 13 Ca -0.04 -1.54 0.17 0.00 -1.81 0.00 0.00 61.98 58.76 2dj3 s VAL 13 Cb -0.12 -3.01 0.35 0.00 0.56 0.00 0.00 36.38 34.16 2dj3 s VAL 13 CO 0.03 -0.06 1.95 1.23 -0.31 0.00 0.00 175.10 177.94 2dj3 h GLY 14 N 1.30 0.55 2.00 2.32 0.00 -1.92 1.62 103.07 108.94 2dj3 h GLY 14 Ca -0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 2dj3 h GLY 14 CO 0.63 0.06 -0.05 0.07 0.00 0.00 0.00 176.54 177.25 2dj3 h LYS 15 N 0.35 0.00 0.00 4.80 2.10 -1.96 -3.16 116.57 118.70 2dj3 h LYS 15 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 2dj3 h LYS 15 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 2dj3 h LYS 15 CO -0.09 0.05 -0.03 0.25 -2.00 0.00 0.00 179.45 177.64 2dj3 n THR 16 N -3.13 1.37 0.09 0.07 -2.24 0.78 -4.76 114.28 106.45 2dj3 n THR 16 Ca 0.02 -1.57 -0.05 0.00 -2.27 0.00 0.00 64.05 60.18 2dj3 n THR 16 Cb 0.44 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.30 0.00 4.78 3.04 0.22 -0.89 116.94 123.80 2dj3 h PHE 17 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2dj3 h PHE 17 Cb 0.83 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.44 2dj3 h PHE 17 CO 0.01 -0.18 0.00 -0.25 -2.02 0.00 0.00 178.31 175.86 2dj3 n ASP 18 N -4.99 0.00 -0.12 0.41 8.00 -1.26 -0.94 116.55 117.65 2dj3 n ASP 18 Ca -0.04 0.19 -0.23 0.00 0.71 0.00 0.00 54.79 55.42 2dj3 n ASP 18 Cb 0.13 -0.30 -0.11 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.30 1.24 -0.00 2.24 0.00 -1.22 -4.24 120.51 117.22 2dj3 n ALA 19 Ca 0.04 -1.00 -0.00 0.00 0.00 0.00 0.00 53.44 52.47 2dj3 n ALA 19 Cb 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.76 0.06 0.05 0.00 5.41 -0.34 -3.49 119.36 117.28 2dj3 n ILE 20 Ca -0.47 0.49 0.21 0.00 1.00 0.00 0.00 62.75 63.98 2dj3 n ILE 20 Cb 0.93 -1.53 0.69 0.00 -0.71 0.00 0.00 39.64 39.02 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 -0.04 0.28 -0.68 1.39 2.07 -1.19 0.35 116.25 118.43 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 0.03 0.53 -0.31 0.00 -1.52 0.00 0.00 31.29 30.01 2dj3 h VAL 21 CO 0.00 0.00 -0.30 0.23 0.02 0.00 0.00 177.57 177.52 2dj3 n MET 22 N -3.57 2.95 -2.62 1.57 2.81 -0.72 -4.56 117.12 112.97 2dj3 n MET 22 Ca 0.10 -3.74 -0.43 0.00 -1.81 0.00 0.00 57.70 51.82 2dj3 n MET 22 Cb 0.78 -2.15 -0.02 0.00 -0.71 0.00 0.00 33.22 31.11 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 -3.00 6.68 0.00 7.83 2.15 0.12 -4.68 116.67 125.77 2dj3 s ASP 23 Ca 0.52 0.55 0.07 0.00 0.43 0.00 0.00 52.55 54.12 2dj3 s ASP 23 Cb 0.43 -2.54 0.40 0.00 -0.30 0.00 0.00 42.92 40.90 2dj3 s ASP 23 CO 0.01 -1.17 0.85 -0.81 -0.17 0.00 0.00 175.17 173.88 2dj3 n PRO 24 N 7.62 0.48 -0.04 4.34 -0.04 -1.26 -2.61 135.00 143.49 2dj3 n PRO 24 Ca 0.12 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 2dj3 n PRO 24 Cb 0.49 -1.21 -0.13 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.71 0.72 -3.83 0.54 5.02 -1.26 -4.48 118.16 114.15 2dj3 n LYS 25 Ca 0.05 0.22 -0.09 0.00 -2.02 0.00 0.00 58.31 56.47 2dj3 n LYS 25 Cb 0.02 -1.65 -0.07 0.00 -0.02 0.00 0.00 35.03 33.32 2dj3 n LYS 25 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2dj3 s LYS 26 N -2.55 0.93 -0.13 1.97 -2.85 -1.07 -4.93 119.74 111.11 2dj3 s LYS 26 Ca -0.26 -0.95 -0.29 0.00 -1.00 0.00 0.00 55.97 53.47 2dj3 s LYS 26 Cb 0.07 0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 36.20 2dj3 s LYS 26 CO 0.72 -0.32 1.08 -0.51 0.10 0.00 0.00 175.35 176.42 2dj3 s ASP 27 N -2.87 7.15 -0.22 0.03 1.11 -1.06 -4.09 116.67 116.72 2dj3 s ASP 27 Ca 0.06 1.58 -0.03 0.00 0.18 0.00 0.00 52.55 54.34 2dj3 s ASP 27 Cb 0.04 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.48 2dj3 s ASP 27 CO -0.09 -0.55 -0.07 -0.69 1.18 0.00 0.00 175.17 174.94 2dj3 s VAL 28 N 2.44 3.08 -0.57 -1.27 1.01 -0.92 -2.85 120.40 121.32 2dj3 s VAL 28 Ca 0.50 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 2dj3 s VAL 28 Cb -0.19 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.80 2dj3 s VAL 28 CO 0.16 0.39 0.99 -0.22 0.00 0.00 0.00 175.10 176.42 2dj3 s LEU 29 N 1.42 3.98 -0.15 3.92 2.96 -1.09 -2.58 118.68 127.14 2dj3 s LEU 29 Ca 0.05 -0.31 -0.16 0.00 -0.22 0.00 0.00 54.13 53.49 2dj3 s LEU 29 Cb -0.15 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 2dj3 s LEU 29 CO -0.05 -1.30 0.37 -0.51 -1.32 0.00 0.00 176.35 173.54 2dj3 s ILE 30 N 4.18 5.25 -0.28 6.68 1.10 0.81 -1.47 121.20 137.48 2dj3 s ILE 30 Ca 0.32 0.71 0.02 0.00 -0.51 0.00 0.00 60.65 61.20 2dj3 s ILE 30 Cb -0.12 -3.71 0.06 0.00 0.15 0.00 0.00 42.46 38.84 2dj3 s ILE 30 CO 0.20 0.34 -0.07 -0.70 -2.11 0.00 0.00 174.94 172.60 2dj3 s GLU 31 N 0.66 2.17 -0.49 3.50 2.12 -1.04 0.52 118.70 126.14 2dj3 s GLU 31 Ca 0.20 -1.41 -0.28 0.00 0.36 0.00 0.00 54.97 53.84 2dj3 s GLU 31 Cb -0.14 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.29 2dj3 s GLU 31 CO 0.07 -0.63 1.43 -0.06 -0.54 0.00 0.00 175.26 175.52 2dj3 s PHE 32 N 1.10 2.32 0.05 5.30 0.08 0.16 -2.33 117.98 124.65 2dj3 s PHE 32 Ca -0.06 0.58 0.02 0.00 0.12 0.00 0.00 56.93 57.60 2dj3 s PHE 32 Cb -0.20 -4.34 -0.04 0.00 -0.57 0.00 0.00 43.02 37.87 2dj3 s PHE 32 CO -0.05 -1.98 0.05 1.52 -0.10 0.00 0.00 175.22 174.65 2dj3 s TYR 33 N 5.83 3.14 -0.21 0.36 -0.85 -1.00 -1.72 117.35 122.91 2dj3 s TYR 33 Ca 0.57 0.08 -0.05 0.00 -0.52 0.00 0.00 57.07 57.15 2dj3 s TYR 33 Cb -0.12 -1.64 -0.02 0.00 0.38 0.00 0.00 41.96 40.56 2dj3 s TYR 33 CO 0.29 0.51 -0.00 0.00 -1.52 0.00 0.00 175.55 174.82 2dj3 s ALA 34 N -1.27 3.00 -2.00 9.51 0.00 -1.26 -4.26 121.76 125.49 2dj3 s ALA 34 Ca 0.25 -1.02 0.15 0.00 0.00 0.00 0.00 51.96 51.34 2dj3 s ALA 34 Cb -0.12 -1.78 0.88 0.00 0.00 0.00 0.00 23.12 22.10 2dj3 s ALA 34 CO 0.17 -0.21 1.30 -0.35 0.00 0.00 0.00 175.76 176.67 2dj3 n PRO 35 N 4.36 0.49 -0.10 0.00 -0.04 -1.26 -1.93 135.00 136.51 2dj3 n PRO 35 Ca -0.17 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.33 2dj3 n PRO 35 Cb 0.52 -1.47 0.07 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.97 0.00 -4.77 0.54 4.27 -1.26 -5.02 117.44 110.23 2dj3 n TRP 36 Ca 0.11 -0.62 -0.33 0.00 -3.89 0.00 0.00 57.50 52.77 2dj3 n TRP 36 Cb 0.05 -0.09 -0.14 0.00 -1.36 0.00 0.00 31.31 29.77 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 6.46 0.00 0.68 0.00 0.00 -1.95 -3.16 103.07 105.10 2dj3 h GLY 38 Ca -0.29 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2dj3 h GLY 38 CO 0.55 0.00 -0.00 0.45 0.00 0.00 0.00 176.54 177.54 2dj3 h HIS 39 N 0.00 -0.01 -0.88 5.60 3.86 -1.93 -2.89 115.15 118.89 2dj3 h HIS 39 Ca -0.00 -0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.44 2dj3 h HIS 39 Cb 0.65 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.08 2dj3 h HIS 39 CO 0.00 0.31 0.62 0.00 0.86 0.00 0.00 177.93 179.71 2dj3 h LYS 41 N 0.15 0.54 0.00 0.00 1.79 -1.58 0.85 116.57 118.33 2dj3 h LYS 41 Ca 0.44 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.75 2dj3 h LYS 41 Cb 1.48 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 32.03 2dj3 h LYS 41 CO -0.08 0.49 -0.37 1.96 -1.08 0.00 0.00 179.45 180.38 2dj3 h GLN 42 N 0.46 0.00 0.00 3.15 1.08 -0.93 -2.85 115.11 116.02 2dj3 h GLN 42 Ca 0.13 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.28 2dj3 h GLN 42 Cb 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2dj3 h GLN 42 CO -0.01 0.37 -0.95 1.25 -0.95 0.00 0.00 178.83 178.54 2dj3 h LEU 43 N 0.00 0.00 -0.54 1.46 5.85 -0.88 -3.35 115.31 117.85 2dj3 h LEU 43 Ca -0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2dj3 h LEU 43 Cb 0.80 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.73 2dj3 h LEU 43 CO 0.05 0.16 -0.46 -0.33 -0.34 0.00 0.00 178.44 177.52 2dj3 h GLU 44 N 0.00 -0.25 -0.29 1.25 4.39 0.97 0.42 114.58 121.07 2dj3 h GLU 44 Ca -0.04 0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 2dj3 h GLU 44 Cb 1.16 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2dj3 h GLU 44 CO 0.01 -0.17 -0.41 -1.00 -1.16 0.00 0.00 179.01 176.28 2dj3 h PRO 45 N -0.26 0.70 -0.12 2.33 0.13 -1.74 -2.37 132.00 130.67 2dj3 h PRO 45 Ca 0.16 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2dj3 h PRO 45 Cb 0.57 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 2dj3 h PRO 45 CO -0.67 0.98 0.08 0.82 -0.23 0.00 0.00 178.00 178.98 2dj3 h ILE 46 N 0.57 1.05 -0.45 -3.56 2.04 -1.39 -2.94 117.51 112.83 2dj3 h ILE 46 Ca 0.04 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 2dj3 h ILE 46 Cb 0.95 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 2dj3 h ILE 46 CO 0.09 0.05 0.06 0.22 0.00 0.00 0.00 178.15 178.56 2dj3 h TYR 47 N 0.14 0.81 -0.50 1.37 3.20 -0.24 -2.95 116.97 118.81 2dj3 h TYR 47 Ca 0.04 -0.12 0.05 0.00 3.14 0.00 0.00 58.73 61.84 2dj3 h TYR 47 Cb 0.01 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.00 2dj3 h TYR 47 CO -0.06 0.77 -0.31 1.15 -1.64 0.00 0.00 178.16 178.07 2dj3 h THR 48 N 0.62 0.00 -0.27 1.81 2.02 -1.24 -0.41 112.91 115.43 2dj3 h THR 48 Ca 0.14 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.36 2dj3 h THR 48 Cb 0.41 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 2dj3 h THR 48 CO 0.01 0.00 0.00 0.28 0.37 0.00 0.00 175.52 176.19 2dj3 h SER 49 N -0.03 -0.10 -1.76 4.18 0.02 -1.58 -1.00 113.55 113.28 2dj3 h SER 49 Ca 0.08 0.06 0.51 0.00 -0.84 0.00 0.00 61.79 61.60 2dj3 h SER 49 Cb 0.23 0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.81 2dj3 h SER 49 CO -0.48 -0.02 1.27 0.25 -1.14 0.00 0.00 176.83 176.72 2dj3 h LEU 50 N 0.09 0.00 0.06 5.07 5.85 -0.92 0.33 115.31 125.79 2dj3 h LEU 50 Ca 0.13 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.65 2dj3 h LEU 50 Cb 0.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2dj3 h LEU 50 CO -0.21 0.00 -1.04 1.23 -0.34 0.00 0.00 178.44 178.08 2dj3 h GLY 51 N 0.00 0.15 2.00 3.75 0.00 -0.41 -2.68 103.07 105.88 2dj3 h GLY 51 Ca 0.84 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2dj3 h GLY 51 CO -0.01 0.35 0.00 0.07 0.00 0.00 0.00 176.54 176.95 2dj3 h LYS 52 N -0.63 0.00 0.04 4.80 2.10 -0.12 0.84 116.57 123.60 2dj3 h LYS 52 Ca -0.24 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.04 2dj3 h LYS 52 Cb 1.48 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.76 2dj3 h LYS 52 CO -0.01 0.00 -2.24 0.36 -2.00 0.00 0.00 179.45 175.56 2dj3 n LYS 53 N -2.39 0.69 -0.03 0.07 2.85 0.15 -4.26 118.16 115.24 2dj3 n LYS 53 Ca -0.01 0.18 0.13 0.00 -1.05 0.00 0.00 58.31 57.56 2dj3 n LYS 53 Cb 0.10 -1.61 0.34 0.00 -0.65 0.00 0.00 35.03 33.21 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 -3.24 0.07 -0.14 5.58 4.01 -0.88 -4.15 117.16 118.41 2dj3 n TYR 54 Ca -0.37 -0.03 -0.08 0.00 -0.16 0.00 0.00 57.90 57.26 2dj3 n TYR 54 Cb 1.04 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 40.14 2dj3 n TYR 54 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2dj3 h LYS 55 N 3.30 0.90 -0.98 -0.72 1.79 0.52 -2.71 116.57 118.67 2dj3 h LYS 55 Ca 0.00 -0.31 -0.06 0.00 -2.18 0.00 0.00 60.65 58.10 2dj3 h LYS 55 Cb 0.71 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 2dj3 h LYS 55 CO 0.00 0.96 0.07 0.41 -1.08 0.00 0.00 179.45 179.81 2dj3 n GLY 56 N -0.36 2.19 2.34 3.86 0.00 -1.26 -4.87 105.19 107.09 2dj3 n GLY 56 Ca 0.01 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 0.19 -0.34 -3.58 1.61 1.13 -1.02 -5.05 117.38 110.32 2dj3 n GLN 57 Ca 0.08 -1.43 -0.41 0.00 -1.94 0.00 0.00 57.00 53.30 2dj3 n GLN 57 Cb 0.60 -0.63 -0.09 0.00 0.11 0.00 0.00 30.24 30.22 2dj3 n GLN 57 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2dj3 s LYS 58 N -4.42 2.61 -0.87 -1.09 2.47 -1.26 -4.55 119.74 112.63 2dj3 s LYS 58 Ca 0.43 -1.51 -0.02 0.00 -1.56 0.00 0.00 55.97 53.31 2dj3 s LYS 58 Cb -0.02 -3.84 0.00 0.00 -1.46 0.00 0.00 37.83 32.52 2dj3 s LYS 58 CO 0.30 -1.01 0.74 -0.25 0.16 0.00 0.00 175.35 175.29 2dj3 n ASP 59 N 4.94 -3.22 -3.71 1.43 8.00 -1.26 -4.67 116.55 118.05 2dj3 n ASP 59 Ca -0.10 -0.41 -0.12 0.00 0.71 0.00 0.00 54.79 54.87 2dj3 n ASP 59 Cb 0.43 -3.67 -0.13 0.00 -0.02 0.00 0.00 41.12 37.72 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 -5.15 0.22 -0.10 0.64 2.96 -1.26 -2.55 118.68 113.44 2dj3 s LEU 60 Ca 0.16 0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 54.62 2dj3 s LEU 60 Cb -0.07 0.81 0.04 0.00 0.50 0.00 0.00 46.19 47.47 2dj3 s LEU 60 CO 0.50 -0.18 0.07 -0.69 -1.32 0.00 0.00 176.35 174.73 2dj3 s VAL 61 N 1.49 -0.07 -0.53 1.68 1.01 -1.13 -4.59 120.40 118.26 2dj3 s VAL 61 Ca -0.08 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 2dj3 s VAL 61 Cb -0.10 -0.35 0.04 0.00 0.00 0.00 0.00 36.38 35.96 2dj3 s VAL 61 CO -0.09 -0.01 0.96 -0.63 0.00 0.00 0.00 175.10 175.33 2dj3 s ILE 62 N 2.14 4.38 0.35 2.22 1.01 -1.26 -2.66 121.20 127.38 2dj3 s ILE 62 Ca 0.04 0.48 0.09 0.00 0.00 0.00 0.00 60.65 61.25 2dj3 s ILE 62 Cb -0.14 -4.52 -0.07 0.00 0.01 0.00 0.00 42.46 37.74 2dj3 s ILE 62 CO -0.06 -1.05 -0.07 0.00 0.00 0.00 0.00 174.94 173.76 2dj3 s ALA 63 N 3.98 2.91 0.34 9.38 0.00 -0.54 -2.99 121.76 134.85 2dj3 s ALA 63 Ca 0.34 -2.11 0.05 0.00 0.00 0.00 0.00 51.96 50.24 2dj3 s ALA 63 Cb -0.11 0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.97 2dj3 s ALA 63 CO 0.22 0.02 0.03 -1.59 0.00 0.00 0.00 175.76 174.44 2dj3 s LYS 64 N -3.64 1.72 -0.08 0.00 -2.85 0.07 -2.50 119.74 112.45 2dj3 s LYS 64 Ca 0.33 -1.95 -0.28 0.00 -1.00 0.00 0.00 55.97 53.07 2dj3 s LYS 64 Cb 0.04 -1.13 0.06 0.00 -2.06 0.00 0.00 37.83 34.74 2dj3 s LYS 64 CO 0.16 -0.11 0.64 1.41 0.10 0.00 0.00 175.35 177.55 2dj3 s MET 65 N -3.81 0.97 -0.60 1.78 1.75 -0.98 0.31 119.30 118.72 2dj3 s MET 65 Ca 0.35 0.31 -0.18 0.00 -1.25 0.00 0.00 55.69 54.92 2dj3 s MET 65 Cb 0.08 0.46 0.12 0.00 2.84 0.00 0.00 34.83 38.33 2dj3 s MET 65 CO 0.16 -0.28 0.67 0.16 -0.65 0.00 0.00 175.02 175.08 2dj3 s ASP 66 N -0.97 6.22 0.52 1.11 -4.77 -1.26 -2.36 116.67 115.16 2dj3 s ASP 66 Ca -0.10 -1.59 0.33 0.00 -3.30 0.00 0.00 52.55 47.89 2dj3 s ASP 66 Cb -0.01 -2.28 1.35 0.00 -1.09 0.00 0.00 42.92 40.89 2dj3 s ASP 66 CO 0.08 -1.03 1.96 0.00 0.70 0.00 0.00 175.17 176.88 2dj3 h ALA 67 N 9.05 1.00 0.00 2.11 0.00 -1.78 0.13 119.26 129.76 2dj3 h ALA 67 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2dj3 h ALA 67 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2dj3 h ALA 67 CO 1.07 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.57 2dj3 n THR 68 N -2.98 0.22 0.00 0.00 -2.24 -1.26 -3.74 114.28 104.28 2dj3 n THR 68 Ca 0.01 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2dj3 n THR 68 Cb 0.29 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 2dj3 n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dj3 n ALA 69 N -1.24 1.68 -2.69 6.98 0.00 -0.89 -5.03 120.51 119.32 2dj3 n ALA 69 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 2dj3 n ALA 69 Cb 0.17 0.16 -0.11 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.54 5.86 -0.03 0.00 0.01 0.39 -5.04 114.94 113.59 2dj3 s ASN 70 Ca 0.00 -0.03 -0.30 0.00 -0.71 0.00 0.00 52.86 51.82 2dj3 s ASN 70 Cb 0.00 -2.08 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 2dj3 s ASN 70 CO 0.00 -0.03 1.31 -1.81 -1.51 0.00 0.00 177.10 175.06 2dj3 s ASP 71 N 1.63 6.94 -0.28 -1.22 1.01 -1.26 -4.44 116.67 119.05 2dj3 s ASP 71 Ca 0.07 1.97 -0.29 0.00 0.71 0.00 0.00 52.55 55.01 2dj3 s ASP 71 Cb -0.16 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.23 2dj3 s ASP 71 CO 0.09 -0.66 1.05 -0.63 0.21 0.00 0.00 175.17 175.23 2dj3 s ILE 72 N 2.35 4.59 -0.09 0.77 1.01 -1.26 -4.91 121.20 123.65 2dj3 s ILE 72 Ca 0.60 1.83 0.14 0.00 0.00 0.00 0.00 60.65 63.22 2dj3 s ILE 72 Cb -0.28 -4.37 0.03 0.00 0.01 0.00 0.00 42.46 37.85 2dj3 s ILE 72 CO 0.24 -0.35 1.44 0.71 0.00 0.00 0.00 174.94 176.97 2dj3 h THR 73 N 5.62 1.00 -1.50 2.92 1.35 -1.95 -3.46 112.91 116.89 2dj3 h THR 73 Ca -0.20 -2.37 -0.13 0.00 -0.55 0.00 0.00 66.41 63.17 2dj3 h THR 73 Cb 1.06 2.46 0.07 0.00 -1.73 0.00 0.00 68.15 70.02 2dj3 h THR 73 CO 1.01 0.56 -0.06 0.59 -0.25 0.00 0.00 175.52 177.37 2dj3 n ASN 74 N -3.26 -2.44 0.00 5.36 3.02 -1.26 -5.01 115.26 111.66 2dj3 n ASN 74 Ca 0.02 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 2dj3 n ASN 74 Cb 0.75 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 2dj3 n ASN 74 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2dj3 n ASP 75 N -2.56 1.91 0.21 6.41 9.92 -1.26 -4.78 116.55 126.40 2dj3 n ASP 75 Ca 0.05 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.43 2dj3 n ASP 75 Cb 0.21 0.05 0.18 0.00 -0.64 0.00 0.00 41.12 40.91 2dj3 n ASP 75 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2dj3 h GLN 76 N 0.00 0.00 -5.17 -1.24 7.50 -1.95 -3.41 115.11 110.84 2dj3 h GLN 76 Ca 0.00 0.00 -0.66 0.00 0.50 0.00 0.00 58.65 58.49 2dj3 h GLN 76 Cb 0.45 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 27.82 2dj3 h GLN 76 CO 0.00 0.00 0.60 0.71 -1.50 0.00 0.00 178.83 178.64 2dj3 s TYR 77 N -3.21 2.89 -0.07 2.96 1.51 -1.26 -4.90 117.35 115.28 2dj3 s TYR 77 Ca 0.07 -0.93 0.01 0.00 -1.01 0.00 0.00 57.07 55.21 2dj3 s TYR 77 Cb 0.05 -4.25 -0.03 0.00 -0.11 0.00 0.00 41.96 37.63 2dj3 s TYR 77 CO 0.67 -1.54 -0.09 0.15 -1.11 0.00 0.00 175.55 173.63 2dj3 s LYS 78 N 3.34 2.76 -0.45 -0.62 1.02 -1.26 -4.88 119.74 119.64 2dj3 s LYS 78 Ca 0.25 -0.59 -0.08 0.00 0.02 0.00 0.00 55.97 55.56 2dj3 s LYS 78 Cb -0.13 -2.55 0.11 0.00 -0.52 0.00 0.00 37.83 34.74 2dj3 s LYS 78 CO 0.02 0.61 0.30 0.08 -0.92 0.00 0.00 175.35 175.45 2dj3 s VAL 79 N -0.68 4.08 -0.21 3.17 1.01 -1.26 -4.90 120.40 121.61 2dj3 s VAL 79 Ca 0.10 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.35 2dj3 s VAL 79 Cb -0.11 -3.65 -0.21 0.00 0.00 0.00 0.00 36.38 32.41 2dj3 s VAL 79 CO 0.01 -0.70 -0.00 -0.62 0.00 0.00 0.00 175.10 173.79 2dj3 n GLU 80 N 4.86 0.69 -3.68 2.72 1.02 -1.26 -5.00 120.64 119.99 2dj3 n GLU 80 Ca -0.08 0.18 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 2dj3 n GLU 80 Cb 0.41 -1.59 -0.09 0.00 -0.02 0.00 0.00 31.44 30.16 2dj3 n GLU 80 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dj3 s GLY 81 N -6.12 -0.43 0.13 0.62 0.00 -1.26 -5.17 107.32 95.10 2dj3 s GLY 81 Ca -0.28 1.66 -0.01 0.00 0.00 0.00 0.00 44.72 46.08 2dj3 s GLY 81 CO 0.68 1.51 0.31 -1.36 0.00 0.00 0.00 173.10 174.23 2dj3 s PHE 82 N 0.58 3.49 0.70 1.90 0.40 -1.26 -3.91 117.98 119.88 2dj3 s PHE 82 Ca -0.02 0.32 -0.13 0.00 -0.60 0.00 0.00 56.93 56.50 2dj3 s PHE 82 Cb -0.05 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.68 2dj3 s PHE 82 CO -0.03 0.48 1.10 -1.25 0.70 0.00 0.00 175.22 176.22 2dj3 s PRO 83 N -2.90 2.58 -0.32 0.24 0.04 -1.26 -4.82 135.00 128.56 2dj3 s PRO 83 Ca 0.37 1.30 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 2dj3 s PRO 83 Cb -0.12 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.60 2dj3 s PRO 83 CO 0.28 -1.41 0.13 0.99 0.04 0.00 0.00 177.00 177.02 2dj3 s THR 84 N -2.57 0.56 0.15 1.26 2.01 -0.70 -4.99 115.64 111.36 2dj3 s THR 84 Ca 0.65 -1.30 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 2dj3 s THR 84 Cb -0.19 -1.43 -0.07 0.00 0.01 0.00 0.00 72.50 70.81 2dj3 s THR 84 CO 0.47 -0.73 0.61 -0.63 -0.69 0.00 0.00 174.62 173.65 2dj3 s ILE 85 N 1.64 4.73 -0.07 1.82 1.01 -1.26 0.35 121.20 129.43 2dj3 s ILE 85 Ca 0.11 1.08 -0.05 0.00 0.00 0.00 0.00 60.65 61.79 2dj3 s ILE 85 Cb -0.18 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.50 2dj3 s ILE 85 CO -0.25 0.31 0.16 -0.31 0.00 0.00 0.00 174.94 174.85 2dj3 s TYR 86 N -1.39 -0.19 -0.28 3.97 2.02 0.18 -2.52 117.35 119.15 2dj3 s TYR 86 Ca 0.37 0.48 -0.06 0.00 -0.37 0.00 0.00 57.07 57.49 2dj3 s TYR 86 Cb -0.17 0.02 0.00 0.00 -0.40 0.00 0.00 41.96 41.41 2dj3 s TYR 86 CO 0.20 -0.12 0.06 0.12 -1.57 0.00 0.00 175.55 174.24 2dj3 s PHE 87 N 0.53 3.11 -0.63 2.71 2.19 0.01 -0.13 117.98 125.77 2dj3 s PHE 87 Ca -0.04 -0.88 -0.11 0.00 0.33 0.00 0.00 56.93 56.23 2dj3 s PHE 87 Cb -0.05 -2.23 0.16 0.00 -1.31 0.00 0.00 43.02 39.59 2dj3 s PHE 87 CO -0.03 -0.54 0.53 0.00 1.83 0.00 0.00 175.22 177.02 2dj3 s ALA 88 N 1.51 3.70 -0.09 11.12 0.00 -1.07 -2.53 121.76 134.40 2dj3 s ALA 88 Ca 0.04 -2.92 -0.30 0.00 0.00 0.00 0.00 51.96 48.78 2dj3 s ALA 88 Cb -0.16 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 2dj3 s ALA 88 CO 0.02 -2.08 1.52 -1.25 0.00 0.00 0.00 175.76 173.96 2dj3 s PRO 89 N 0.76 4.20 -0.39 0.00 0.04 -1.26 -2.18 135.00 136.17 2dj3 s PRO 89 Ca 0.11 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 62.84 2dj3 s PRO 89 Cb -0.21 -3.90 -0.10 0.00 0.04 0.00 0.00 34.50 30.33 2dj3 s PRO 89 CO -0.03 -0.79 2.28 0.45 0.04 0.00 0.00 177.00 178.95 2dj3 n SER 90 N 6.92 2.29 0.00 6.66 2.88 -1.26 -0.91 113.62 130.20 2dj3 n SER 90 Ca 0.16 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2dj3 n SER 90 Cb 0.43 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 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 6.26 3.28 0.69 0.46 0.00 -1.26 -4.84 105.19 109.77 2dj3 n GLY 91 Ca 0.40 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 3.41 -0.49 1.61 9.92 -0.38 -4.71 116.55 125.91 2dj3 n ASP 92 Ca 0.00 -3.08 0.43 0.00 -0.53 0.00 0.00 54.79 51.61 2dj3 n ASP 92 Cb 0.00 -0.52 0.77 0.00 -0.64 0.00 0.00 41.12 40.73 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 1.29 0.02 -1.12 -1.24 1.57 -1.35 0.13 116.57 115.86 2dj3 h LYS 93 Ca 0.01 -0.00 0.39 0.00 -1.87 0.00 0.00 60.65 59.18 2dj3 h LYS 93 Cb 1.34 -0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.50 2dj3 h LYS 93 CO 0.17 0.01 0.67 -0.22 -0.57 0.00 0.00 179.45 179.51 2dj3 h LYS 94 N 0.02 0.15 -3.99 3.15 1.63 -1.87 -3.14 116.57 112.52 2dj3 h LYS 94 Ca 0.74 -0.01 -0.73 0.00 -0.85 0.00 0.00 60.65 59.80 2dj3 h LYS 94 Cb 2.89 -0.03 -0.31 0.00 -0.60 0.00 0.00 32.23 34.17 2dj3 h LYS 94 CO -0.04 0.10 -0.30 -0.80 -3.45 0.00 0.00 179.45 174.96 2dj3 s ASN 95 N -4.67 5.72 0.51 4.20 0.02 0.47 -4.87 114.94 116.32 2dj3 s ASN 95 Ca -0.09 -2.38 -0.21 0.00 -1.02 0.00 0.00 52.86 49.16 2dj3 s ASN 95 Cb 0.31 -1.98 -0.07 0.00 0.02 0.00 0.00 41.25 39.53 2dj3 s ASN 95 CO 0.80 -0.55 1.15 -2.16 0.02 0.00 0.00 177.10 176.35 2dj3 s PRO 96 N 0.65 3.54 -0.34 -0.60 0.04 -1.19 -4.82 135.00 132.27 2dj3 s PRO 96 Ca 0.12 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.88 2dj3 s PRO 96 Cb -0.21 -2.18 0.10 0.00 0.04 0.00 0.00 34.50 32.25 2dj3 s PRO 96 CO -0.03 -0.72 0.07 0.42 0.04 0.00 0.00 177.00 176.78 2dj3 s ILE 97 N -1.67 2.06 0.42 0.56 1.01 -1.05 -4.94 121.20 117.59 2dj3 s ILE 97 Ca 0.69 -2.24 -0.12 0.00 0.00 0.00 0.00 60.65 58.98 2dj3 s ILE 97 Cb -0.26 -2.52 -0.07 0.00 0.01 0.00 0.00 42.46 39.62 2dj3 s ILE 97 CO 0.30 -0.62 0.80 -0.75 0.00 0.00 0.00 174.94 174.67 2dj3 s LYS 98 N 0.96 3.82 -0.34 2.79 2.20 -1.26 -0.81 119.74 127.11 2dj3 s LYS 98 Ca 0.11 0.57 -0.17 0.00 -0.36 0.00 0.00 55.97 56.11 2dj3 s LYS 98 Cb -0.19 -2.35 -0.01 0.00 -1.51 0.00 0.00 37.83 33.77 2dj3 s LYS 98 CO -0.10 -0.06 0.48 0.12 -0.36 0.00 0.00 175.35 175.43 2dj3 s PHE 99 N -2.38 3.20 -0.15 4.03 5.36 -1.05 -4.91 117.98 122.07 2dj3 s PHE 99 Ca 0.53 0.20 0.16 0.00 -0.96 0.00 0.00 56.93 56.86 2dj3 s PHE 99 Cb -0.10 -2.85 0.43 0.00 -0.34 0.00 0.00 43.02 40.16 2dj3 s PHE 99 CO 0.30 -0.48 1.20 0.39 -1.46 0.00 0.00 175.22 175.17 2dj3 n GLU 100 N 5.64 1.25 -0.41 10.12 -0.58 -1.26 -4.71 120.64 130.68 2dj3 n GLU 100 Ca -0.06 -2.97 -0.02 0.00 -0.42 0.00 0.00 57.16 53.69 2dj3 n GLU 100 Cb 0.49 -1.16 0.01 0.00 -0.57 0.00 0.00 31.44 30.21 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 -0.56 2.57 5.79 0.62 0.00 -1.26 -4.92 105.19 107.44 2dj3 n GLY 101 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.02 0.35 3.49 -0.02 0.00 -1.26 -4.58 105.19 104.19 2dj3 n GLY 102 Ca 0.05 0.44 -0.49 0.00 0.00 0.00 0.00 46.02 46.02 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 2.71 2.41 -4.30 1.61 4.13 -1.26 -4.89 115.26 115.67 2dj3 n ASN 103 Ca 0.00 0.40 -0.45 0.00 1.68 0.00 0.00 54.58 56.21 2dj3 n ASN 103 Cb 0.00 -1.32 -0.03 0.00 -1.54 0.00 0.00 39.78 36.89 2dj3 n ASN 103 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2dj3 s ARG 104 N 6.13 3.59 0.37 3.52 0.52 -1.26 -4.77 118.95 127.04 2dj3 s ARG 104 Ca 1.07 -2.62 0.04 0.00 -0.52 0.00 0.00 55.73 53.69 2dj3 s ARG 104 Cb -0.75 -4.36 -0.05 0.00 0.52 0.00 0.00 34.95 30.31 2dj3 s ARG 104 CO 0.47 -1.27 0.08 -0.51 0.02 0.00 0.00 175.30 174.09 2dj3 s ASP 105 N 1.79 2.61 0.49 0.23 1.01 -1.26 -4.97 116.67 116.57 2dj3 s ASP 105 Ca 0.20 -1.51 0.28 0.00 0.71 0.00 0.00 52.55 52.23 2dj3 s ASP 105 Cb -0.11 0.18 1.14 0.00 1.01 0.00 0.00 42.92 45.15 2dj3 s ASP 105 CO -0.08 -0.75 1.91 0.25 0.21 0.00 0.00 175.17 176.71 2dj3 h LEU 106 N 1.95 0.00 0.20 1.23 5.85 -1.96 0.11 115.31 122.70 2dj3 h LEU 106 Ca -0.39 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.01 2dj3 h LEU 106 Cb 1.26 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.31 2dj3 h LEU 106 CO 0.65 0.13 -1.48 -0.08 -0.34 0.00 0.00 178.44 177.32 2dj3 h GLU 107 N 0.00 0.43 0.04 1.25 4.81 -1.97 -3.19 114.58 115.95 2dj3 h GLU 107 Ca -0.00 -0.74 -0.09 0.00 -0.13 0.00 0.00 59.36 58.40 2dj3 h GLU 107 Cb 0.62 0.28 0.01 0.00 0.63 0.00 0.00 28.75 30.28 2dj3 h GLU 107 CO 0.02 1.34 -0.38 0.45 -0.73 0.00 0.00 179.01 179.72 2dj3 h HIS 108 N 0.12 0.31 -1.00 0.92 3.86 -1.84 -3.18 115.15 114.33 2dj3 h HIS 108 Ca -0.24 -0.19 0.18 0.00 -1.16 0.00 0.00 60.37 58.95 2dj3 h HIS 108 Cb 2.10 -0.02 -0.10 0.00 1.06 0.00 0.00 27.41 30.45 2dj3 h HIS 108 CO 0.10 1.07 0.62 -0.07 0.86 0.00 0.00 177.93 180.51 2dj3 h LEU 109 N -0.55 0.80 -0.44 2.43 3.38 -1.13 -0.42 115.31 119.39 2dj3 h LEU 109 Ca -0.06 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2dj3 h LEU 109 Cb 1.20 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2dj3 h LEU 109 CO 0.07 0.32 0.14 0.77 0.09 0.00 0.00 178.44 179.83 2dj3 h SER 110 N 0.80 0.63 0.41 -0.43 4.64 -1.63 -0.37 113.55 117.60 2dj3 h SER 110 Ca 0.56 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2dj3 h SER 110 Cb 0.82 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2dj3 h SER 110 CO -0.35 0.67 0.00 0.11 -0.87 0.00 0.00 176.83 176.39 2dj3 h LYS 111 N 0.56 0.00 0.00 4.77 1.57 -1.08 -1.58 116.57 120.81 2dj3 h LYS 111 Ca 0.14 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.76 2dj3 h LYS 111 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2dj3 h LYS 111 CO -0.00 0.00 -1.83 0.34 -0.57 0.00 0.00 179.45 177.38 2dj3 n PHE 112 N -2.54 0.41 -0.01 -1.35 -0.00 -0.76 -4.26 117.46 108.95 2dj3 n PHE 112 Ca -0.00 0.13 -0.00 0.00 -0.00 0.00 0.00 57.45 57.58 2dj3 n PHE 112 Cb 0.15 -0.87 -0.00 0.00 -0.00 0.00 0.00 39.48 38.76 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 0.00 0.00 -0.66 -2.13 2.04 -0.19 -3.34 117.51 113.22 2dj3 h ILE 113 Ca -0.20 -0.16 0.13 0.00 1.00 0.00 0.00 64.86 65.62 2dj3 h ILE 113 Cb 1.53 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.49 2dj3 h ILE 113 CO 0.02 0.00 -0.18 0.47 0.00 0.00 0.00 178.15 178.47 2dj3 n ASP 114 N -2.49 -0.26 -0.06 1.72 8.00 -0.68 -0.20 116.55 122.58 2dj3 n ASP 114 Ca -0.00 1.14 -0.06 0.00 0.71 0.00 0.00 54.79 56.58 2dj3 n ASP 114 Cb 0.01 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.16 -0.60 -1.24 5.08 -1.74 -2.07 114.58 113.84 2dj3 h GLU 115 Ca 0.31 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2dj3 h GLU 115 Cb 0.47 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2dj3 h GLU 115 CO -0.68 -0.11 0.33 0.45 -1.00 0.00 0.00 179.01 178.01 2dj3 h HIS 116 N -0.17 0.82 -2.15 4.33 3.86 -0.72 -3.44 115.15 117.68 2dj3 h HIS 116 Ca 0.03 -0.02 -0.51 0.00 -1.16 0.00 0.00 60.37 58.72 2dj3 h HIS 116 Cb 0.26 -0.26 0.24 0.00 1.06 0.00 0.00 27.41 28.70 2dj3 h HIS 116 CO -0.66 0.59 -1.59 0.00 0.86 0.00 0.00 177.93 177.12 2dj3 n ALA 117 N -2.31 -4.58 -2.23 2.45 0.00 0.73 -4.94 120.51 109.62 2dj3 n ALA 117 Ca 0.04 -1.01 -0.06 0.00 0.00 0.00 0.00 53.44 52.42 2dj3 n ALA 117 Cb 0.08 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 18.30 2dj3 n ALA 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dj3 n THR 118 N -3.50 1.67 0.47 0.00 -1.04 -1.26 -4.79 114.28 105.82 2dj3 n THR 118 Ca 0.01 -3.07 0.03 0.00 -2.04 0.00 0.00 64.05 58.97 2dj3 n THR 118 Cb 0.62 0.10 0.15 0.00 -1.82 0.00 0.00 70.33 69.38 2dj3 n THR 118 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2dj3 n LYS 119 N -0.55 2.30 -3.84 -2.82 4.81 -1.26 -4.87 118.16 111.92 2dj3 n LYS 119 Ca 0.22 -1.15 -0.24 0.00 -0.87 0.00 0.00 58.31 56.26 2dj3 n LYS 119 Cb 0.89 -1.66 -0.03 0.00 0.02 0.00 0.00 35.03 34.25 2dj3 n LYS 119 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2dj3 s ARG 120 N -1.66 2.34 0.27 1.64 1.70 -1.26 -4.99 118.95 116.99 2dj3 s ARG 120 Ca 0.20 -1.81 -0.18 0.00 -0.47 0.00 0.00 55.73 53.47 2dj3 s ARG 120 Cb 0.14 -2.16 -0.13 0.00 -0.57 0.00 0.00 34.95 32.23 2dj3 s ARG 120 CO 0.08 -0.35 0.16 -1.13 -1.08 0.00 0.00 175.30 172.97 2dj3 n SER 121 N -1.56 -1.91 -4.10 -2.89 3.41 -1.26 -4.98 113.62 100.33 2dj3 n SER 121 Ca 0.00 0.70 -0.25 0.00 -0.26 0.00 0.00 58.87 59.07 2dj3 n SER 121 Cb 0.63 -0.71 -0.08 0.00 -0.26 0.00 0.00 64.21 63.80 2dj3 n SER 121 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2dj3 s ARG 122 N -0.78 1.90 -0.14 4.33 0.52 -1.26 -5.12 118.95 118.39 2dj3 s ARG 122 Ca 0.47 -2.15 -0.19 0.00 -0.52 0.00 0.00 55.73 53.35 2dj3 s ARG 122 Cb -0.56 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.31 2dj3 s ARG 122 CO 0.48 -0.47 0.51 -0.08 0.02 0.00 0.00 175.30 175.76 2dj3 s THR 123 N -3.24 5.15 -1.02 0.02 -1.32 -1.26 -4.18 115.64 109.79 2dj3 s THR 123 Ca 0.25 1.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.72 2dj3 s THR 123 Cb 0.03 -3.85 0.00 0.00 -1.51 0.00 0.00 72.50 67.17 2dj3 s THR 123 CO 0.15 0.27 0.86 1.17 -2.21 0.00 0.00 174.62 174.86 2dj3 n LYS 124 N 4.05 -5.73 -4.36 7.08 4.81 -1.26 -5.03 118.16 117.71 2dj3 n LYS 124 Ca -0.06 0.70 -0.27 0.00 -0.87 0.00 0.00 58.31 57.82 2dj3 n LYS 124 Cb 0.51 -5.30 -0.11 0.00 0.02 0.00 0.00 35.03 30.16 2dj3 n LYS 124 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2dj3 s GLU 125 N -5.33 1.76 0.35 1.64 2.56 -1.26 -5.15 118.70 113.27 2dj3 s GLU 125 Ca 0.10 -1.41 0.05 0.00 0.00 0.00 0.00 54.97 53.71 2dj3 s GLU 125 Cb -0.04 -1.98 -0.07 0.00 2.00 0.00 0.00 34.13 34.03 2dj3 s GLU 125 CO 0.61 0.42 0.04 -1.21 -0.56 0.00 0.00 175.26 174.55 2dj3 s GLU 126 N -2.74 1.74 -0.48 4.30 8.01 -1.26 -5.02 118.70 123.26 2dj3 s GLU 126 Ca 0.23 -1.97 -0.02 0.00 0.01 0.00 0.00 54.97 53.22 2dj3 s GLU 126 Cb -0.08 -1.11 0.25 0.00 -4.31 0.00 0.00 34.13 28.89 2dj3 s GLU 126 CO 0.12 -0.14 2.18 1.28 0.01 0.00 0.00 175.26 178.71 2dj3 n LEU 127 N -0.77 6.88 -4.38 1.80 7.99 -1.26 -4.83 117.00 122.43 2dj3 n LEU 127 Ca -0.03 -3.84 -0.37 0.00 -0.01 0.00 0.00 56.01 51.76 2dj3 n LEU 127 Cb 0.67 -1.08 -0.07 0.00 -0.11 0.00 0.00 43.42 42.83 2dj3 n LEU 127 CO 0.44 1.44 -0.23 -1.54 -1.51 0.00 0.00 177.39 175.99 2dj3 n SER 128 N 0.06 -1.23 -3.02 -1.43 3.41 -1.26 -2.53 113.62 107.62 2dj3 n SER 128 Ca 0.44 -1.19 -0.16 0.00 -0.26 0.00 0.00 58.87 57.70 2dj3 n SER 128 Cb 0.56 -1.94 0.02 0.00 -0.26 0.00 0.00 64.21 62.60 2dj3 n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj3 n GLY 129 N -1.61 -0.95 0.09 5.00 0.00 -1.26 -4.86 105.19 101.60 2dj3 n GLY 129 Ca -0.04 1.23 0.10 0.00 0.00 0.00 0.00 46.02 47.31 2dj3 n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dj3 n PRO 130 N -0.30 0.13 -0.07 1.61 -0.04 -1.05 -3.16 135.00 132.12 2dj3 n PRO 130 Ca 0.07 0.37 -0.10 0.00 -0.04 0.00 0.00 63.50 63.80 2dj3 n PRO 130 Cb 0.52 -1.76 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 2dj3 n PRO 130 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dj3 h SER 131 N 0.00 0.32 -4.80 3.54 0.02 -1.90 -3.46 113.55 107.28 2dj3 h SER 131 Ca 0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2dj3 h SER 131 Cb 0.32 -0.08 -0.18 0.00 0.14 0.00 0.00 62.40 62.60 2dj3 h SER 131 CO 0.00 0.30 0.29 -0.55 -1.14 0.00 0.00 176.83 175.73 2dj3 s SER 132 N -5.52 -0.56 0.00 3.07 0.15 -1.19 -5.30 113.70 104.35 2dj3 s SER 132 Ca -0.13 0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2dj3 s SER 132 Cb 0.09 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 2dj3 s SER 132 CO 0.71 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 175.12