#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 3.20 -0.23 1.61 0.01 -1.26 -5.08 113.70 111.95 2dj3 s SER 2 Ca 0.00 -1.10 -0.16 0.00 1.31 0.00 0.00 55.95 56.00 2dj3 s SER 2 Cb 0.00 -0.24 -0.10 0.00 0.21 0.00 0.00 66.02 65.89 2dj3 s SER 2 CO 0.00 -0.15 -0.30 -1.20 0.41 0.00 0.00 173.24 171.99 2dj3 n SER 3 N -0.60 1.94 -3.27 2.44 7.64 -1.26 -5.06 113.62 115.45 2dj3 n SER 3 Ca -0.06 0.36 -0.12 0.00 1.01 0.00 0.00 58.87 60.06 2dj3 n SER 3 Cb 0.62 -0.81 0.01 0.00 -1.01 0.00 0.00 64.21 63.02 2dj3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj3 n GLY 4 N 1.35 -1.14 3.59 0.23 0.00 -1.26 -5.03 105.19 102.94 2dj3 n GLY 4 Ca -0.37 0.70 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.79 -0.44 -0.02 1.61 1.04 -1.26 -5.06 113.70 106.78 2dj3 s SER 5 Ca 0.08 0.61 -0.22 0.00 0.48 0.00 0.00 55.95 56.90 2dj3 s SER 5 Cb -0.02 0.54 -0.23 0.00 0.10 0.00 0.00 66.02 66.42 2dj3 s SER 5 CO 0.81 -0.31 1.08 -1.28 0.98 0.00 0.00 173.24 174.51 2dj3 h SER 6 N 3.19 0.39 -3.23 7.02 0.87 -2.00 -3.45 113.55 116.34 2dj3 h SER 6 Ca -0.23 -0.76 -0.57 0.00 -1.23 0.00 0.00 61.79 59.01 2dj3 h SER 6 Cb 1.16 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.96 2dj3 h SER 6 CO 0.25 1.09 -0.16 -0.83 -0.53 0.00 0.00 176.83 176.65 2dj3 s GLY 7 N -3.98 2.39 0.02 5.77 0.00 -1.26 -5.01 107.32 105.25 2dj3 s GLY 7 Ca -0.14 -0.26 -0.22 0.00 0.00 0.00 0.00 44.72 44.10 2dj3 s GLY 7 CO 0.78 -0.02 1.33 -0.56 0.00 0.00 0.00 173.10 174.63 2dj3 h PRO 8 N 3.54 0.25 -6.23 2.90 0.13 -1.89 -3.43 132.00 127.28 2dj3 h PRO 8 Ca -0.49 -0.13 -0.55 0.00 -0.87 0.00 0.00 66.00 63.96 2dj3 h PRO 8 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dj3 h PRO 8 CO 0.66 0.66 1.28 0.08 -0.23 0.00 0.00 178.00 180.46 2dj3 s VAL 9 N -4.30 3.17 0.25 1.56 1.01 -1.26 -4.76 120.40 116.07 2dj3 s VAL 9 Ca -0.15 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 2dj3 s VAL 9 Cb 0.04 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 2dj3 s VAL 9 CO 0.73 -0.06 1.15 -0.75 0.00 0.00 0.00 175.10 176.18 2dj3 s LYS 10 N 5.01 4.56 -0.12 2.72 2.20 -1.16 -4.82 119.74 128.13 2dj3 s LYS 10 Ca 0.88 1.87 -0.08 0.00 -0.36 0.00 0.00 55.97 58.28 2dj3 s LYS 10 Cb -0.36 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 2dj3 s LYS 10 CO 0.37 0.07 0.16 0.14 -0.36 0.00 0.00 175.35 175.73 2dj3 s VAL 11 N -0.79 5.46 0.06 4.02 -7.23 -1.26 -0.10 120.40 120.56 2dj3 s VAL 11 Ca 0.48 0.26 0.06 0.00 -1.81 0.00 0.00 61.98 60.96 2dj3 s VAL 11 Cb -0.33 -3.44 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 2dj3 s VAL 11 CO 0.41 0.58 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.93 2dj3 s VAL 12 N -0.79 1.28 0.43 1.32 1.01 0.11 -4.89 120.40 118.86 2dj3 s VAL 12 Ca 0.15 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2dj3 s VAL 12 Cb -0.12 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 2dj3 s VAL 12 CO 0.04 -0.06 0.04 1.33 0.00 0.00 0.00 175.10 176.44 2dj3 n VAL 13 N 1.55 0.00 0.22 2.92 0.24 -1.26 -4.26 118.33 117.74 2dj3 n VAL 13 Ca -0.19 -2.13 0.07 0.00 -2.04 0.00 0.00 64.34 60.04 2dj3 n VAL 13 Cb 0.54 0.52 0.58 0.00 -1.47 0.00 0.00 33.84 34.01 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 1.18 0.08 2.00 7.63 0.00 -1.94 1.51 103.07 113.53 2dj3 h GLY 14 Ca -0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2dj3 h GLY 14 CO 0.58 0.03 -0.16 0.07 0.00 0.00 0.00 176.54 177.06 2dj3 h LYS 15 N 0.07 0.00 0.00 4.80 2.10 -1.98 -3.25 116.57 118.31 2dj3 h LYS 15 Ca 0.02 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2dj3 h LYS 15 Cb 0.07 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2dj3 h LYS 15 CO 0.00 0.16 -0.13 0.25 -2.00 0.00 0.00 179.45 177.72 2dj3 n THR 16 N -3.17 1.49 -0.03 0.07 -2.24 -0.39 -4.74 114.28 105.27 2dj3 n THR 16 Ca 0.03 -1.82 -0.18 0.00 -2.27 0.00 0.00 64.05 59.81 2dj3 n THR 16 Cb 0.54 -0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.05 0.20 0.00 4.78 3.04 0.20 -2.21 116.94 123.00 2dj3 h PHE 17 Ca -0.00 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.80 2dj3 h PHE 17 Cb 1.09 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.59 2dj3 h PHE 17 CO 0.05 1.22 0.00 -0.25 -2.02 0.00 0.00 178.31 177.31 2dj3 n ASP 18 N -4.37 0.00 -0.11 0.41 8.00 -1.26 -1.62 116.55 117.59 2dj3 n ASP 18 Ca -0.16 0.11 -0.22 0.00 0.71 0.00 0.00 54.79 55.23 2dj3 n ASP 18 Cb 0.65 -0.35 -0.12 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.35 1.25 -0.00 2.24 0.00 -1.24 -4.22 120.51 117.18 2dj3 n ALA 19 Ca 0.10 -0.99 -0.00 0.00 0.00 0.00 0.00 53.44 52.56 2dj3 n ALA 19 Cb 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 19.45 19.52 2dj3 n ALA 19 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2dj3 n ILE 20 N -3.63 0.01 0.02 0.00 5.41 -0.83 -3.61 119.36 116.72 2dj3 n ILE 20 Ca -0.45 0.50 0.23 0.00 1.00 0.00 0.00 62.75 64.02 2dj3 n ILE 20 Cb 0.95 -1.51 0.70 0.00 -0.71 0.00 0.00 39.64 39.08 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 -0.01 0.33 -0.76 1.39 2.07 -1.45 0.30 116.25 118.13 2dj3 h VAL 21 Ca 0.00 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 67.00 2dj3 h VAL 21 Cb 0.00 0.54 -0.33 0.00 -1.52 0.00 0.00 31.29 29.99 2dj3 h VAL 21 CO 0.00 0.00 -0.16 0.23 0.02 0.00 0.00 177.57 177.66 2dj3 n MET 22 N -3.70 3.01 -2.87 1.57 2.81 -0.64 -4.63 117.12 112.67 2dj3 n MET 22 Ca 0.11 -3.72 -0.43 0.00 -1.81 0.00 0.00 57.70 51.85 2dj3 n MET 22 Cb 0.79 -2.20 -0.05 0.00 -0.71 0.00 0.00 33.22 31.06 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 -2.86 6.44 0.00 7.83 -4.77 0.11 -4.68 116.67 118.73 2dj3 s ASP 23 Ca 0.54 -0.06 0.11 0.00 -3.30 0.00 0.00 52.55 49.84 2dj3 s ASP 23 Cb 0.44 -2.42 0.65 0.00 -1.09 0.00 0.00 42.92 40.49 2dj3 s ASP 23 CO 0.02 -1.04 1.08 -0.81 0.70 0.00 0.00 175.17 175.12 2dj3 n PRO 24 N 7.07 0.49 0.05 2.11 -0.04 -1.26 -2.13 135.00 141.27 2dj3 n PRO 24 Ca 0.04 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2dj3 n PRO 24 Cb 0.48 -1.35 0.11 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.85 0.29 -3.59 0.54 5.02 -1.26 -4.53 118.16 113.78 2dj3 n LYS 25 Ca 0.08 0.05 -0.06 0.00 -2.02 0.00 0.00 58.31 56.36 2dj3 n LYS 25 Cb 0.04 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 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 -3.18 0.42 -0.13 1.97 -2.85 -0.91 -4.92 119.74 110.14 2dj3 s LYS 26 Ca 0.05 -0.03 -0.29 0.00 -1.00 0.00 0.00 55.97 54.70 2dj3 s LYS 26 Cb 0.14 0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 36.09 2dj3 s LYS 26 CO 0.75 -0.16 1.08 -0.51 0.10 0.00 0.00 175.35 176.62 2dj3 s ASP 27 N -1.64 7.13 -0.12 0.03 1.01 -0.61 -4.11 116.67 118.36 2dj3 s ASP 27 Ca 0.05 1.57 -0.00 0.00 0.71 0.00 0.00 52.55 54.88 2dj3 s ASP 27 Cb -0.01 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2dj3 s ASP 27 CO -0.04 -0.57 -0.12 -0.69 0.21 0.00 0.00 175.17 173.96 2dj3 s VAL 28 N 2.53 3.15 -0.53 -1.27 1.01 -1.03 -3.05 120.40 121.21 2dj3 s VAL 28 Ca 0.49 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 2dj3 s VAL 28 Cb -0.19 -2.32 0.08 0.00 0.00 0.00 0.00 36.38 33.95 2dj3 s VAL 28 CO 0.15 0.53 0.59 -0.22 0.00 0.00 0.00 175.10 176.15 2dj3 s LEU 29 N 0.22 5.32 -0.15 3.92 2.96 -1.13 -2.10 118.68 127.71 2dj3 s LEU 29 Ca -0.08 -1.21 -0.15 0.00 -0.22 0.00 0.00 54.13 52.47 2dj3 s LEU 29 Cb -0.15 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 2dj3 s LEU 29 CO 0.05 -0.90 0.35 -0.51 -1.32 0.00 0.00 176.35 174.01 2dj3 s ILE 30 N 2.37 5.27 -0.25 6.68 1.10 -0.65 -1.13 121.20 134.58 2dj3 s ILE 30 Ca 0.11 0.67 0.02 0.00 -0.51 0.00 0.00 60.65 60.94 2dj3 s ILE 30 Cb -0.22 -3.69 0.06 0.00 0.15 0.00 0.00 42.46 38.76 2dj3 s ILE 30 CO 0.09 0.36 -0.09 -0.70 -2.11 0.00 0.00 174.94 172.48 2dj3 s GLU 31 N 0.58 2.07 -0.48 3.50 -6.30 -0.94 -0.14 118.70 116.99 2dj3 s GLU 31 Ca 0.19 -1.26 -0.28 0.00 -2.50 0.00 0.00 54.97 51.12 2dj3 s GLU 31 Cb -0.14 -2.81 0.01 0.00 0.00 0.00 0.00 34.13 31.19 2dj3 s GLU 31 CO 0.06 -0.58 1.39 -0.06 0.02 0.00 0.00 175.26 176.09 2dj3 s PHE 32 N 1.18 2.38 0.17 5.30 0.08 0.16 -2.61 117.98 124.64 2dj3 s PHE 32 Ca -0.08 0.60 0.05 0.00 0.12 0.00 0.00 56.93 57.61 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 -1.92 0.17 1.52 -0.10 0.00 0.00 175.22 174.84 2dj3 s TYR 33 N 5.64 3.22 -0.15 0.36 -0.85 -0.97 -1.84 117.35 122.76 2dj3 s TYR 33 Ca 0.57 0.01 0.01 0.00 -0.52 0.00 0.00 57.07 57.13 2dj3 s TYR 33 Cb -0.12 -1.54 0.00 0.00 0.38 0.00 0.00 41.96 40.68 2dj3 s TYR 33 CO 0.30 0.52 -0.17 0.00 -1.52 0.00 0.00 175.55 174.67 2dj3 s ALA 34 N -1.77 2.43 -1.99 9.51 0.00 -1.26 -4.26 121.76 124.43 2dj3 s ALA 34 Ca 0.32 -1.05 0.16 0.00 0.00 0.00 0.00 51.96 51.38 2dj3 s ALA 34 Cb -0.10 -1.16 0.92 0.00 0.00 0.00 0.00 23.12 22.78 2dj3 s ALA 34 CO 0.25 -0.02 1.34 -0.35 0.00 0.00 0.00 175.76 176.97 2dj3 n PRO 35 N 4.05 0.48 -0.24 0.00 -0.04 -1.26 -2.09 135.00 135.90 2dj3 n PRO 35 Ca -0.19 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.36 2dj3 n PRO 35 Cb 0.52 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.63 2dj3 n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dj3 n TRP 36 N -1.01 0.00 -5.17 0.54 4.27 -1.26 -5.01 117.44 109.80 2dj3 n TRP 36 Ca 0.12 -1.10 -0.30 0.00 -3.89 0.00 0.00 57.50 52.33 2dj3 n TRP 36 Cb 0.06 -0.17 -0.16 0.00 -1.36 0.00 0.00 31.31 29.67 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 5.96 -0.27 -1.07 0.00 0.00 -1.95 -3.26 103.07 102.49 2dj3 h GLY 38 Ca -0.34 0.10 0.31 0.00 0.00 0.00 0.00 47.33 47.39 2dj3 h GLY 38 CO 0.47 -0.10 1.17 1.42 0.00 0.00 0.00 176.54 179.50 2dj3 n HIS 39 N -4.62 0.00 -0.01 5.60 8.25 -1.26 0.23 115.22 123.40 2dj3 n HIS 39 Ca -0.03 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.26 2dj3 n HIS 39 Cb 0.10 -0.27 -0.10 0.00 1.12 0.00 0.00 29.99 30.85 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 0.02 0.00 0.00 0.00 2.10 0.27 0.50 116.57 119.47 2dj3 h LYS 41 Ca -0.05 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.44 2dj3 h LYS 41 Cb 1.23 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 2dj3 h LYS 41 CO 0.11 0.00 -0.74 0.37 -2.00 0.00 0.00 179.45 177.19 2dj3 h GLN 42 N 0.00 0.00 0.00 0.07 5.75 -1.48 -3.22 115.11 116.23 2dj3 h GLN 42 Ca 0.08 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.47 2dj3 h GLN 42 Cb 0.34 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 2dj3 h GLN 42 CO -0.00 0.74 -0.68 1.25 -2.65 0.00 0.00 178.83 177.49 2dj3 h LEU 43 N 0.00 0.00 -0.58 -2.39 5.85 -0.84 -3.37 115.31 113.98 2dj3 h LEU 43 Ca -0.01 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.78 2dj3 h LEU 43 Cb 1.52 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.47 2dj3 h LEU 43 CO 0.10 0.49 -0.29 -0.62 -0.34 0.00 0.00 178.44 177.77 2dj3 n GLU 44 N -3.14 -0.21 -0.00 1.25 1.02 -0.29 0.17 120.64 119.45 2dj3 n GLU 44 Ca -0.00 0.88 -0.08 0.00 -0.02 0.00 0.00 57.16 57.94 2dj3 n GLU 44 Cb 0.74 -1.30 0.10 0.00 -0.02 0.00 0.00 31.44 30.96 2dj3 n GLU 44 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2dj3 h PRO 45 N 0.00 0.56 -0.77 3.49 0.13 -1.80 -2.12 132.00 131.48 2dj3 h PRO 45 Ca 0.14 -0.29 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 2dj3 h PRO 45 Cb 0.28 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.39 2dj3 h PRO 45 CO -0.56 0.88 0.42 0.82 -0.23 0.00 0.00 178.00 179.34 2dj3 h ILE 46 N 0.45 1.23 -0.01 -3.56 2.04 0.16 -2.63 117.51 115.19 2dj3 h ILE 46 Ca 0.03 -0.58 -0.19 0.00 1.00 0.00 0.00 64.86 65.12 2dj3 h ILE 46 Cb 0.94 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2dj3 h ILE 46 CO 0.08 0.26 -0.84 0.22 0.00 0.00 0.00 178.15 177.87 2dj3 h TYR 47 N 1.07 0.31 0.17 1.37 3.20 -0.29 -3.02 116.97 119.79 2dj3 h TYR 47 Ca 0.27 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2dj3 h TYR 47 Cb 0.04 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2dj3 h TYR 47 CO 0.00 0.96 -0.43 1.15 -1.64 0.00 0.00 178.16 178.20 2dj3 h THR 48 N 0.12 0.00 -0.90 1.81 2.02 -1.01 -0.76 112.91 114.19 2dj3 h THR 48 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2dj3 h THR 48 Cb 1.46 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2dj3 h THR 48 CO 0.13 0.00 0.57 0.28 0.37 0.00 0.00 175.52 176.87 2dj3 h SER 49 N -0.66 1.06 -0.23 4.18 0.02 -1.64 0.17 113.55 116.45 2dj3 h SER 49 Ca -0.02 -0.05 0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2dj3 h SER 49 Cb 0.64 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2dj3 h SER 49 CO -0.19 0.79 0.23 0.25 -1.14 0.00 0.00 176.83 176.78 2dj3 h LEU 50 N 1.23 0.00 0.00 5.07 5.85 -1.31 0.34 115.31 126.49 2dj3 h LEU 50 Ca 0.33 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.71 2dj3 h LEU 50 Cb -0.09 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2dj3 h LEU 50 CO -0.07 0.00 -1.96 0.61 -0.34 0.00 0.00 178.44 176.68 2dj3 n GLY 51 N -1.44 -0.59 0.34 3.75 0.00 -0.33 -3.15 105.19 103.76 2dj3 n GLY 51 Ca 0.03 -0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.16 2dj3 n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2dj3 h LYS 52 N -1.00 0.00 0.07 1.61 2.10 -0.58 0.59 116.57 119.36 2dj3 h LYS 52 Ca -0.51 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 57.78 2dj3 h LYS 52 Cb 1.42 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.71 2dj3 h LYS 52 CO -0.31 0.00 -2.11 0.36 -2.00 0.00 0.00 179.45 175.39 2dj3 n LYS 53 N -3.08 0.72 -0.01 0.07 2.85 0.10 -4.11 118.16 114.69 2dj3 n LYS 53 Ca -0.03 0.22 0.14 0.00 -1.05 0.00 0.00 58.31 57.60 2dj3 n LYS 53 Cb 0.15 -1.66 0.63 0.00 -0.65 0.00 0.00 35.03 33.50 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 -3.34 0.02 0.18 5.58 4.02 -0.62 -3.88 117.16 119.11 2dj3 n TYR 54 Ca -0.34 -0.01 0.05 0.00 -0.01 0.00 0.00 57.90 57.59 2dj3 n TYR 54 Cb 1.04 0.00 0.48 0.00 -0.02 0.00 0.00 39.34 40.84 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 1.62 0.11 -1.06 -0.72 2.10 -0.01 -2.53 116.57 116.08 2dj3 h LYS 55 Ca 0.00 -0.02 -0.61 0.00 -2.00 0.00 0.00 60.65 58.02 2dj3 h LYS 55 Cb 0.35 -0.02 -0.27 0.00 -0.90 0.00 0.00 32.23 31.39 2dj3 h LYS 55 CO 0.00 0.23 0.79 0.41 -2.00 0.00 0.00 179.45 178.88 2dj3 n GLY 56 N -1.07 5.44 4.04 0.07 0.00 -1.25 -4.94 105.19 107.48 2dj3 n GLY 56 Ca -0.02 -1.98 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 2dj3 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dj3 s GLN 57 N -3.49 2.20 -0.27 1.61 -0.44 -0.96 -5.07 119.66 113.26 2dj3 s GLN 57 Ca 0.59 -1.69 -0.25 0.00 -2.50 0.00 0.00 55.36 51.51 2dj3 s GLN 57 Cb 0.47 -2.62 0.00 0.00 -1.64 0.00 0.00 33.01 29.22 2dj3 s GLN 57 CO 0.01 -0.97 0.88 0.21 0.50 0.00 0.00 175.29 175.91 2dj3 s LYS 58 N -4.73 4.12 -1.31 1.67 2.47 -1.26 -4.20 119.74 116.49 2dj3 s LYS 58 Ca 0.63 0.92 -0.14 0.00 -1.56 0.00 0.00 55.97 55.82 2dj3 s LYS 58 Cb -0.05 -3.68 0.02 0.00 -1.46 0.00 0.00 37.83 32.66 2dj3 s LYS 58 CO 0.40 -0.63 0.26 -0.25 0.16 0.00 0.00 175.35 175.29 2dj3 n ASP 59 N 6.22 -1.05 -3.72 1.43 8.00 -1.26 -4.78 116.55 121.38 2dj3 n ASP 59 Ca 0.07 -1.20 -0.15 0.00 0.71 0.00 0.00 54.79 54.22 2dj3 n ASP 59 Cb 0.47 -1.47 -0.15 0.00 -0.02 0.00 0.00 41.12 39.95 2dj3 n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2dj3 s LEU 60 N -7.19 0.47 -0.22 0.64 2.96 -1.26 -1.57 118.68 112.52 2dj3 s LEU 60 Ca 0.19 0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 54.36 2dj3 s LEU 60 Cb -0.11 0.32 0.08 0.00 0.50 0.00 0.00 46.19 46.98 2dj3 s LEU 60 CO 0.92 -0.18 0.10 -0.69 -1.32 0.00 0.00 176.35 175.18 2dj3 s VAL 61 N 1.53 -0.00 -0.54 1.68 1.01 -1.17 -4.53 120.40 118.38 2dj3 s VAL 61 Ca -0.05 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.19 2dj3 s VAL 61 Cb -0.12 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.47 2dj3 s VAL 61 CO -0.06 -0.46 1.50 -0.63 0.00 0.00 0.00 175.10 175.46 2dj3 s ILE 62 N 2.09 3.71 0.36 2.22 1.01 -1.26 -2.84 121.20 126.49 2dj3 s ILE 62 Ca 0.05 0.61 0.09 0.00 0.00 0.00 0.00 60.65 61.40 2dj3 s ILE 62 Cb -0.16 -4.29 -0.07 0.00 0.01 0.00 0.00 42.46 37.95 2dj3 s ILE 62 CO -0.20 -1.04 -0.05 0.00 0.00 0.00 0.00 174.94 173.65 2dj3 s ALA 63 N 6.44 3.06 0.28 9.38 0.00 -0.29 -2.96 121.76 137.68 2dj3 s ALA 63 Ca 0.57 -2.13 0.03 0.00 0.00 0.00 0.00 51.96 50.43 2dj3 s ALA 63 Cb -0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 2dj3 s ALA 63 CO 0.26 0.02 0.06 -1.59 0.00 0.00 0.00 175.76 174.52 2dj3 s LYS 64 N -3.66 1.48 -0.00 0.00 -2.85 0.85 -2.21 119.74 113.35 2dj3 s LYS 64 Ca 0.34 -1.80 -0.27 0.00 -1.00 0.00 0.00 55.97 53.23 2dj3 s LYS 64 Cb 0.04 -0.54 0.06 0.00 -2.06 0.00 0.00 37.83 35.33 2dj3 s LYS 64 CO 0.17 -0.22 0.62 1.41 0.10 0.00 0.00 175.35 177.43 2dj3 s MET 65 N -3.95 1.06 -0.79 1.78 1.75 -1.07 0.04 119.30 118.12 2dj3 s MET 65 Ca 0.36 0.05 -0.16 0.00 -1.25 0.00 0.00 55.69 54.69 2dj3 s MET 65 Cb 0.08 0.49 0.17 0.00 2.84 0.00 0.00 34.83 38.41 2dj3 s MET 65 CO 0.13 -0.36 0.82 -0.51 -0.65 0.00 0.00 175.02 174.45 2dj3 s ASP 66 N -1.53 6.58 0.59 1.11 1.11 -1.26 -2.29 116.67 120.98 2dj3 s ASP 66 Ca -0.09 -2.25 0.32 0.00 0.18 0.00 0.00 52.55 50.71 2dj3 s ASP 66 Cb -0.01 -2.27 1.84 0.00 1.07 0.00 0.00 42.92 43.56 2dj3 s ASP 66 CO 0.05 -0.80 2.23 0.00 1.18 0.00 0.00 175.17 177.83 2dj3 h ALA 67 N 8.36 1.38 0.00 5.23 0.00 -1.76 0.17 119.26 132.63 2dj3 h ALA 67 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2dj3 h ALA 67 Cb 1.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2dj3 h ALA 67 CO 0.92 0.03 -0.13 1.79 0.00 0.00 0.00 179.25 181.86 2dj3 h THR 68 N 0.00 0.99 0.00 0.00 1.35 -1.90 -3.26 112.91 110.10 2dj3 h THR 68 Ca -0.00 -0.46 -0.27 0.00 -0.55 0.00 0.00 66.41 65.13 2dj3 h THR 68 Cb 0.08 1.25 -0.05 0.00 -1.73 0.00 0.00 68.15 67.71 2dj3 h THR 68 CO 0.00 0.13 -2.00 0.00 -0.25 0.00 0.00 175.52 173.40 2dj3 n ALA 69 N -2.47 1.67 -2.70 6.62 0.00 -0.56 -4.97 120.51 118.10 2dj3 n ALA 69 Ca -0.03 -0.74 -0.39 0.00 0.00 0.00 0.00 53.44 52.28 2dj3 n ALA 69 Cb 0.20 0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 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 -5.93 6.96 -0.39 0.00 0.01 0.47 -5.03 114.94 111.03 2dj3 s ASN 70 Ca -0.24 1.16 -0.21 0.00 -0.71 0.00 0.00 52.86 52.85 2dj3 s ASN 70 Cb 0.07 -2.40 0.01 0.00 0.41 0.00 0.00 41.25 39.34 2dj3 s ASN 70 CO 0.38 -0.09 0.68 -1.81 -1.51 0.00 0.00 177.10 174.75 2dj3 s ASP 71 N 0.72 6.42 -0.98 -1.22 1.01 -1.26 -4.38 116.67 116.98 2dj3 s ASP 71 Ca 0.36 0.05 -0.24 0.00 0.71 0.00 0.00 52.55 53.44 2dj3 s ASP 71 Cb -0.18 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2dj3 s ASP 71 CO 0.17 -0.70 1.83 -0.63 0.21 0.00 0.00 175.17 176.06 2dj3 s ILE 72 N 2.87 3.59 0.63 0.77 1.01 -1.26 -4.77 121.20 124.04 2dj3 s ILE 72 Ca 0.26 -0.60 0.36 0.00 0.00 0.00 0.00 60.65 60.68 2dj3 s ILE 72 Cb -0.14 -4.36 0.36 0.00 0.01 0.00 0.00 42.46 38.33 2dj3 s ILE 72 CO 0.17 -1.22 2.11 0.71 0.00 0.00 0.00 174.94 176.71 2dj3 h THR 73 N 6.95 0.00 -3.13 2.92 1.35 -1.93 -3.42 112.91 115.65 2dj3 h THR 73 Ca 0.15 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.48 2dj3 h THR 73 Cb 0.99 0.80 0.04 0.00 -1.73 0.00 0.00 68.15 68.25 2dj3 h THR 73 CO 1.27 0.00 0.75 0.20 -0.25 0.00 0.00 175.52 177.49 2dj3 s ASN 74 N -4.72 6.75 -0.04 5.36 -0.87 -1.26 -4.90 114.94 115.26 2dj3 s ASN 74 Ca -0.04 2.48 0.10 0.00 -1.57 0.00 0.00 52.86 53.83 2dj3 s ASN 74 Cb 0.10 -2.60 0.35 0.00 -0.02 0.00 0.00 41.25 39.08 2dj3 s ASN 74 CO 0.33 -0.68 1.21 0.47 -2.57 0.00 0.00 177.10 175.87 2dj3 n ASP 75 N 3.32 2.39 -0.07 -1.22 8.00 -1.26 -3.78 116.55 123.93 2dj3 n ASP 75 Ca 0.10 -2.15 -0.08 0.00 0.71 0.00 0.00 54.79 53.37 2dj3 n ASP 75 Cb 0.41 -0.36 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 2dj3 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dj3 n GLN 76 N 0.47 1.55 -3.48 -1.24 1.13 -1.26 -4.88 117.38 109.67 2dj3 n GLN 76 Ca 0.13 0.02 -0.43 0.00 -1.94 0.00 0.00 57.00 54.78 2dj3 n GLN 76 Cb 0.44 -1.33 -0.08 0.00 0.11 0.00 0.00 30.24 29.38 2dj3 n GLN 76 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2dj3 s TYR 77 N -2.31 3.31 -0.09 1.08 1.51 -1.25 -4.73 117.35 114.86 2dj3 s TYR 77 Ca -0.10 -1.34 -0.00 0.00 -1.01 0.00 0.00 57.07 54.61 2dj3 s TYR 77 Cb 0.04 -3.24 -0.03 0.00 -0.11 0.00 0.00 41.96 38.63 2dj3 s TYR 77 CO 0.49 -0.88 -0.06 0.15 -1.11 0.00 0.00 175.55 174.14 2dj3 s LYS 78 N 1.51 3.00 -0.44 -0.62 -0.14 -1.26 -4.84 119.74 116.95 2dj3 s LYS 78 Ca 0.04 -0.54 -0.13 0.00 -1.36 0.00 0.00 55.97 53.98 2dj3 s LYS 78 Cb -0.25 -2.67 0.07 0.00 -1.68 0.00 0.00 37.83 33.29 2dj3 s LYS 78 CO 0.03 0.55 0.32 0.08 -0.76 0.00 0.00 175.35 175.57 2dj3 s VAL 79 N -0.49 4.78 -0.04 3.17 1.01 -1.26 -4.87 120.40 122.71 2dj3 s VAL 79 Ca 0.07 -1.14 0.13 0.00 0.00 0.00 0.00 61.98 61.04 2dj3 s VAL 79 Cb -0.12 -3.85 -0.19 0.00 0.00 0.00 0.00 36.38 32.22 2dj3 s VAL 79 CO 0.02 -0.50 0.24 -0.62 0.00 0.00 0.00 175.10 174.24 2dj3 n GLU 80 N 5.07 0.69 -3.64 2.72 1.02 -1.26 -5.01 120.64 120.23 2dj3 n GLU 80 Ca -0.11 -0.10 -0.08 0.00 -0.02 0.00 0.00 57.16 56.85 2dj3 n GLU 80 Cb 0.44 -1.31 -0.07 0.00 -0.02 0.00 0.00 31.44 30.48 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 -3.68 -0.39 0.04 0.62 0.00 -1.26 -5.17 107.32 97.48 2dj3 s GLY 81 Ca -0.05 2.57 -0.02 0.00 0.00 0.00 0.00 44.72 47.22 2dj3 s GLY 81 CO 0.53 2.24 0.22 -1.36 0.00 0.00 0.00 173.10 174.74 2dj3 s PHE 82 N 1.11 3.53 0.87 1.90 0.40 -1.26 -3.83 117.98 120.71 2dj3 s PHE 82 Ca -0.06 0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 56.51 2dj3 s PHE 82 Cb -0.05 -1.83 0.12 0.00 0.51 0.00 0.00 43.02 41.77 2dj3 s PHE 82 CO -0.13 0.60 1.09 -1.25 0.70 0.00 0.00 175.22 176.23 2dj3 s PRO 83 N -2.26 1.44 -0.24 0.24 0.04 -1.26 -4.94 135.00 128.02 2dj3 s PRO 83 Ca 0.32 0.88 -0.03 0.00 0.04 0.00 0.00 61.00 62.21 2dj3 s PRO 83 Cb -0.13 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.67 2dj3 s PRO 83 CO 0.23 -2.13 0.09 0.99 0.04 0.00 0.00 177.00 176.22 2dj3 s THR 84 N -2.93 0.26 -0.00 1.26 2.01 -0.77 -4.98 115.64 110.49 2dj3 s THR 84 Ca 0.63 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 2dj3 s THR 84 Cb -0.18 -1.02 -0.06 0.00 0.01 0.00 0.00 72.50 71.26 2dj3 s THR 84 CO 0.57 -0.47 0.41 -0.63 -0.69 0.00 0.00 174.62 173.81 2dj3 s ILE 85 N 1.96 5.03 -0.14 1.82 1.01 -1.26 0.38 121.20 129.99 2dj3 s ILE 85 Ca 0.05 0.84 -0.04 0.00 0.00 0.00 0.00 60.65 61.50 2dj3 s ILE 85 Cb -0.17 -3.71 0.07 0.00 0.01 0.00 0.00 42.46 38.66 2dj3 s ILE 85 CO -0.20 0.57 0.16 -0.31 0.00 0.00 0.00 174.94 175.16 2dj3 s TYR 86 N -1.02 -0.11 -0.35 3.97 2.02 0.80 -2.89 117.35 119.78 2dj3 s TYR 86 Ca 0.24 0.23 -0.21 0.00 -0.37 0.00 0.00 57.07 56.95 2dj3 s TYR 86 Cb -0.17 -0.42 0.00 0.00 -0.40 0.00 0.00 41.96 40.98 2dj3 s TYR 86 CO 0.13 -0.44 0.68 0.12 -1.57 0.00 0.00 175.55 174.47 2dj3 s PHE 87 N 2.26 3.15 -0.63 2.71 2.19 -0.52 -1.64 117.98 125.50 2dj3 s PHE 87 Ca 0.04 0.45 -0.12 0.00 0.33 0.00 0.00 56.93 57.63 2dj3 s PHE 87 Cb -0.14 -3.18 0.16 0.00 -1.31 0.00 0.00 43.02 38.55 2dj3 s PHE 87 CO -0.09 -0.63 0.54 0.00 1.83 0.00 0.00 175.22 176.88 2dj3 s ALA 88 N 2.80 3.72 -0.10 11.12 0.00 -0.89 -2.99 121.76 135.41 2dj3 s ALA 88 Ca 0.26 -2.89 -0.29 0.00 0.00 0.00 0.00 51.96 49.04 2dj3 s ALA 88 Cb -0.14 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2dj3 s ALA 88 CO 0.15 -2.09 1.52 -1.25 0.00 0.00 0.00 175.76 174.10 2dj3 s PRO 89 N 0.86 4.18 -0.66 0.00 0.04 -1.26 -2.45 135.00 135.69 2dj3 s PRO 89 Ca 0.10 1.99 -0.31 0.00 0.04 0.00 0.00 61.00 62.82 2dj3 s PRO 89 Cb -0.21 -3.92 -0.15 0.00 0.04 0.00 0.00 34.50 30.26 2dj3 s PRO 89 CO -0.03 -0.83 2.46 -1.13 0.04 0.00 0.00 177.00 177.52 2dj3 n SER 90 N 7.04 1.35 0.00 6.66 3.41 -1.26 -0.95 113.62 129.87 2dj3 n SER 90 Ca 0.16 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2dj3 n SER 90 Cb 0.44 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 2dj3 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj3 n GLY 91 N 6.43 3.39 2.09 5.00 0.00 -1.26 -4.87 105.19 115.97 2dj3 n GLY 91 Ca 0.51 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 4.19 0.03 1.61 8.00 -0.13 -4.60 116.55 125.65 2dj3 n ASP 92 Ca 0.00 -3.67 0.12 0.00 0.71 0.00 0.00 54.79 51.95 2dj3 n ASP 92 Cb 0.00 -0.82 0.57 0.00 -0.02 0.00 0.00 41.12 40.85 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 1.18 0.23 -0.95 -1.24 1.57 -1.73 -1.45 116.57 114.17 2dj3 h LYS 93 Ca 0.57 -0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.61 2dj3 h LYS 93 Cb 2.36 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 34.58 2dj3 h LYS 93 CO 1.07 0.15 0.91 0.87 -0.57 0.00 0.00 179.45 181.88 2dj3 h LYS 94 N 0.23 0.00 -3.65 3.15 1.79 -1.89 -3.12 116.57 113.08 2dj3 h LYS 94 Ca 0.19 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.97 2dj3 h LYS 94 Cb 0.45 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 30.75 2dj3 h LYS 94 CO -0.04 0.00 -0.39 -0.80 -1.08 0.00 0.00 179.45 177.14 2dj3 s ASN 95 N -4.45 5.20 0.14 0.86 0.01 -0.55 -4.93 114.94 111.22 2dj3 s ASN 95 Ca -0.04 -2.80 -0.31 0.00 -0.71 0.00 0.00 52.86 49.00 2dj3 s ASN 95 Cb 0.18 -1.84 -0.08 0.00 0.41 0.00 0.00 41.25 39.91 2dj3 s ASN 95 CO 0.60 -0.37 1.34 -2.16 -1.51 0.00 0.00 177.10 175.00 2dj3 s PRO 96 N 0.01 4.36 -0.44 -0.60 0.04 -1.18 -4.84 135.00 132.35 2dj3 s PRO 96 Ca 0.16 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 2dj3 s PRO 96 Cb -0.21 -3.23 0.07 0.00 0.04 0.00 0.00 34.50 31.17 2dj3 s PRO 96 CO -0.03 -0.35 0.33 0.42 0.04 0.00 0.00 177.00 177.41 2dj3 s ILE 97 N 0.71 4.84 -0.11 0.56 1.01 -1.16 -4.94 121.20 122.11 2dj3 s ILE 97 Ca 0.61 -1.15 -0.22 0.00 0.00 0.00 0.00 60.65 59.88 2dj3 s ILE 97 Cb -0.36 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 2dj3 s ILE 97 CO 0.33 -0.52 0.67 -0.75 0.00 0.00 0.00 174.94 174.67 2dj3 s LYS 98 N 1.56 4.37 -0.26 2.79 2.20 -1.26 -1.44 119.74 127.70 2dj3 s LYS 98 Ca 0.04 0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 56.14 2dj3 s LYS 98 Cb -0.23 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.59 2dj3 s LYS 98 CO 0.05 -0.01 1.47 0.12 -0.36 0.00 0.00 175.35 176.62 2dj3 s PHE 99 N 1.09 2.37 -0.37 4.03 5.36 -1.14 -4.89 117.98 124.43 2dj3 s PHE 99 Ca 0.34 0.69 0.06 0.00 -0.96 0.00 0.00 56.93 57.06 2dj3 s PHE 99 Cb -0.17 -3.96 0.44 0.00 -0.34 0.00 0.00 43.02 38.99 2dj3 s PHE 99 CO 0.15 -2.36 1.23 0.39 -1.46 0.00 0.00 175.22 173.17 2dj3 n GLU 100 N 7.53 3.49 -3.13 10.12 1.02 -1.26 -4.77 120.64 133.65 2dj3 n GLU 100 Ca 0.17 -4.21 -0.40 0.00 -0.02 0.00 0.00 57.16 52.70 2dj3 n GLU 100 Cb 0.46 -2.27 -0.06 0.00 -0.02 0.00 0.00 31.44 29.55 2dj3 n GLU 100 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dj3 s GLY 101 N -3.42 2.18 0.20 0.62 0.00 -1.26 -4.96 107.32 100.68 2dj3 s GLY 101 Ca 0.51 -0.20 -0.09 0.00 0.00 0.00 0.00 44.72 44.94 2dj3 s GLY 101 CO -0.05 1.23 1.21 0.61 0.00 0.00 0.00 173.10 176.10 2dj3 n GLY 102 N 3.62 -1.40 3.74 0.20 0.00 -1.26 -4.06 105.19 106.03 2dj3 n GLY 102 Ca -0.02 0.84 -0.37 0.00 0.00 0.00 0.00 46.02 46.47 2dj3 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dj3 s ASN 103 N -5.23 6.55 -0.69 1.61 0.01 -1.26 -5.00 114.94 110.93 2dj3 s ASN 103 Ca -0.11 0.64 0.03 0.00 -0.71 0.00 0.00 52.86 52.71 2dj3 s ASN 103 Cb 0.19 -2.22 0.36 0.00 0.41 0.00 0.00 41.25 39.99 2dj3 s ASN 103 CO 0.59 0.08 1.34 -1.14 -1.51 0.00 0.00 177.10 176.46 2dj3 n ARG 104 N 3.46 3.73 -4.12 -0.60 0.63 -1.26 -4.62 116.66 113.88 2dj3 n ARG 104 Ca -0.10 -4.56 -0.27 0.00 -0.92 0.00 0.00 57.85 52.00 2dj3 n ARG 104 Cb 0.52 -2.30 -0.04 0.00 0.45 0.00 0.00 32.46 31.09 2dj3 n ARG 104 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2dj3 s ASP 105 N -2.68 4.49 0.52 6.15 1.11 -1.26 -4.91 116.67 120.09 2dj3 s ASP 105 Ca 0.47 -1.29 0.27 0.00 0.18 0.00 0.00 52.55 52.18 2dj3 s ASP 105 Cb 0.31 0.23 1.43 0.00 1.07 0.00 0.00 42.92 45.97 2dj3 s ASP 105 CO -0.19 -0.92 2.06 0.25 1.18 0.00 0.00 175.17 177.56 2dj3 h LEU 106 N 1.03 0.00 -0.23 1.23 6.46 -1.96 0.41 115.31 122.24 2dj3 h LEU 106 Ca -0.40 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.26 2dj3 h LEU 106 Cb 1.29 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.22 2dj3 h LEU 106 CO 0.64 0.12 -0.24 -0.08 -0.62 0.00 0.00 178.44 178.26 2dj3 h GLU 107 N 0.00 0.57 0.00 1.25 4.81 -1.96 -2.98 114.58 116.27 2dj3 h GLU 107 Ca -0.00 -0.30 -0.11 0.00 -0.13 0.00 0.00 59.36 58.82 2dj3 h GLU 107 Cb 0.35 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2dj3 h GLU 107 CO 0.02 0.90 -0.61 0.45 -0.73 0.00 0.00 179.01 179.03 2dj3 h HIS 108 N 0.27 0.00 -0.96 0.92 3.86 -1.78 -3.31 115.15 114.16 2dj3 h HIS 108 Ca 0.04 0.00 0.30 0.00 -1.16 0.00 0.00 60.37 59.55 2dj3 h HIS 108 Cb 0.79 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.10 2dj3 h HIS 108 CO 0.08 1.16 0.29 -0.07 0.86 0.00 0.00 177.93 180.26 2dj3 h LEU 109 N -1.00 0.01 -1.19 2.43 3.38 -0.33 1.41 115.31 120.02 2dj3 h LEU 109 Ca -0.17 0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2dj3 h LEU 109 Cb 1.09 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 2dj3 h LEU 109 CO -0.10 -0.28 -0.21 0.77 0.09 0.00 0.00 178.44 178.71 2dj3 h SER 110 N 0.12 0.29 0.62 -0.43 4.64 -1.67 -1.65 113.55 115.47 2dj3 h SER 110 Ca 0.66 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2dj3 h SER 110 Cb 1.49 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2dj3 h SER 110 CO -0.75 0.52 0.00 0.29 -0.87 0.00 0.00 176.83 176.02 2dj3 n LYS 111 N -4.18 0.01 -0.06 4.77 5.02 0.48 -2.09 118.16 122.10 2dj3 n LYS 111 Ca -0.01 0.18 -0.08 0.00 -2.02 0.00 0.00 58.31 56.38 2dj3 n LYS 111 Cb 0.34 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.49 0.40 -0.04 2.13 -0.00 -0.65 -3.99 117.46 113.82 2dj3 n PHE 112 Ca 0.05 0.14 -0.15 0.00 -0.00 0.00 0.00 57.45 57.48 2dj3 n PHE 112 Cb 0.21 -1.05 -0.13 0.00 -0.00 0.00 0.00 39.48 38.51 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 1.74 -0.93 -2.13 2.04 -1.25 -2.54 117.51 114.44 2dj3 h ILE 113 Ca -0.41 -2.39 0.13 0.00 1.00 0.00 0.00 64.86 63.19 2dj3 h ILE 113 Cb 2.08 3.35 -0.08 0.00 -0.74 0.00 0.00 36.82 41.44 2dj3 h ILE 113 CO 0.05 0.63 0.59 -2.24 0.00 0.00 0.00 178.15 177.18 2dj3 h ASP 114 N -0.86 0.76 0.14 1.72 2.03 -1.64 1.71 116.42 120.28 2dj3 h ASP 114 Ca -0.03 0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 56.30 2dj3 h ASP 114 Cb 1.14 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.53 2dj3 h ASP 114 CO 0.03 0.39 -0.07 -0.33 -1.03 0.00 0.00 179.24 178.24 2dj3 h GLU 115 N 0.81 -0.18 -0.05 4.15 5.08 -1.69 -3.19 114.58 119.51 2dj3 h GLU 115 Ca 0.46 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 2dj3 h GLU 115 Cb 0.62 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2dj3 h GLU 115 CO -0.23 0.28 0.00 0.72 -1.00 0.00 0.00 179.01 178.79 2dj3 n HIS 116 N -4.89 0.07 -0.59 4.33 8.25 -0.96 -4.78 115.22 116.65 2dj3 n HIS 116 Ca -0.08 -0.04 -0.17 0.00 -0.26 0.00 0.00 57.72 57.18 2dj3 n HIS 116 Cb 0.27 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.53 2dj3 n HIS 116 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dj3 n ALA 117 N -0.38 -2.30 -0.75 -1.41 0.00 0.58 -4.83 120.51 111.42 2dj3 n ALA 117 Ca 0.04 -0.91 -0.06 0.00 0.00 0.00 0.00 53.44 52.51 2dj3 n ALA 117 Cb 0.06 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.37 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 -4.10 2.48 -3.73 0.00 5.66 -1.26 -4.71 114.28 108.61 2dj3 n THR 118 Ca 0.08 -1.02 -0.25 0.00 -3.05 0.00 0.00 64.05 59.81 2dj3 n THR 118 Cb 0.34 -1.70 0.03 0.00 -1.55 0.00 0.00 70.33 67.44 2dj3 n THR 118 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dj3 n LYS 119 N 1.85 -3.13 0.04 1.09 4.76 -1.26 -4.93 118.16 116.58 2dj3 n LYS 119 Ca 0.20 0.53 -0.07 0.00 -2.87 0.00 0.00 58.31 56.10 2dj3 n LYS 119 Cb 0.68 -4.72 -0.05 0.00 -1.84 0.00 0.00 35.03 29.10 2dj3 n LYS 119 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dj3 h ARG 120 N -1.82 -0.20 -6.36 1.97 2.47 -1.84 -3.47 114.38 105.13 2dj3 h ARG 120 Ca -0.63 0.01 -0.54 0.00 -1.26 0.00 0.00 59.98 57.56 2dj3 h ARG 120 Cb 1.36 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.72 2dj3 h ARG 120 CO 0.54 0.11 -0.16 -1.12 0.56 0.00 0.00 179.97 179.91 2dj3 s SER 121 N -5.46 4.86 0.03 7.04 0.01 -1.26 -5.06 113.70 113.86 2dj3 s SER 121 Ca -0.08 -1.06 -0.30 0.00 1.31 0.00 0.00 55.95 55.81 2dj3 s SER 121 Cb -0.00 0.47 -0.06 0.00 0.21 0.00 0.00 66.02 66.64 2dj3 s SER 121 CO 0.30 -1.32 1.39 -0.13 0.41 0.00 0.00 173.24 173.89 2dj3 s ARG 122 N -4.55 4.30 0.03 12.44 3.00 -1.26 -4.90 118.95 128.01 2dj3 s ARG 122 Ca 0.50 1.98 -0.00 0.00 0.00 0.00 0.00 55.73 58.21 2dj3 s ARG 122 Cb -0.04 -3.49 -0.00 0.00 0.00 0.00 0.00 34.95 31.42 2dj3 s ARG 122 CO 0.32 -0.53 -0.01 2.41 0.00 0.00 0.00 175.30 177.50 2dj3 n THR 123 N 4.46 0.45 -4.10 0.02 -1.04 -1.26 -5.02 114.28 107.79 2dj3 n THR 123 Ca 0.13 0.16 -0.34 0.00 -2.04 0.00 0.00 64.05 61.96 2dj3 n THR 123 Cb 0.43 -1.25 -0.05 0.00 -1.82 0.00 0.00 70.33 67.65 2dj3 n THR 123 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2dj3 n LYS 124 N -2.88 -0.67 -3.57 -2.82 3.00 -1.26 -4.88 118.16 105.08 2dj3 n LYS 124 Ca -0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 58.31 58.29 2dj3 n LYS 124 Cb 0.01 -2.74 -0.02 0.00 0.00 0.00 0.00 35.03 32.28 2dj3 n LYS 124 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2dj3 s GLU 125 N -7.06 0.45 -0.17 1.64 -1.05 -1.26 -5.17 118.70 106.08 2dj3 s GLU 125 Ca 0.18 -0.16 -0.07 0.00 -0.15 0.00 0.00 54.97 54.77 2dj3 s GLU 125 Cb -0.10 0.21 0.07 0.00 -0.44 0.00 0.00 34.13 33.87 2dj3 s GLU 125 CO 0.89 -0.20 0.37 -1.21 0.95 0.00 0.00 175.26 176.06 2dj3 s GLU 126 N -2.58 0.30 0.04 -4.83 2.02 -1.26 -5.13 118.70 107.26 2dj3 s GLU 126 Ca 0.08 0.85 -0.27 0.00 0.02 0.00 0.00 54.97 55.65 2dj3 s GLU 126 Cb -0.01 0.10 0.07 0.00 0.10 0.00 0.00 34.13 34.40 2dj3 s GLU 126 CO -0.06 -0.22 0.66 -1.17 0.02 0.00 0.00 175.26 174.49 2dj3 s LEU 127 N 2.05 -0.60 -1.39 1.80 2.96 -1.26 -4.95 118.68 117.29 2dj3 s LEU 127 Ca -0.04 0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 54.14 2dj3 s LEU 127 Cb -0.11 2.53 0.02 0.00 0.50 0.00 0.00 46.19 49.13 2dj3 s LEU 127 CO -0.12 -0.76 1.14 -1.54 -1.32 0.00 0.00 176.35 173.76 2dj3 n SER 128 N 0.30 -6.21 -3.23 3.68 3.41 -1.26 -4.95 113.62 105.36 2dj3 n SER 128 Ca -0.18 -0.56 -0.25 0.00 -0.26 0.00 0.00 58.87 57.63 2dj3 n SER 128 Cb 0.61 -4.90 -0.06 0.00 -0.26 0.00 0.00 64.21 59.60 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 -1.96 4.18 3.66 5.00 0.00 -1.26 -4.82 105.19 109.98 2dj3 n GLY 129 Ca 0.01 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 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 -2.25 0.06 0.22 1.61 0.04 -1.26 -5.08 135.00 128.33 2dj3 s PRO 130 Ca 0.40 0.39 0.08 0.00 0.04 0.00 0.00 61.00 61.91 2dj3 s PRO 130 Cb 0.21 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.99 2dj3 s PRO 130 CO -0.07 -2.95 -0.13 0.45 0.04 0.00 0.00 177.00 174.33 2dj3 s SER 131 N -3.53 2.61 -0.29 6.66 0.15 -1.26 -4.94 113.70 113.11 2dj3 s SER 131 Ca 0.66 -1.05 -0.15 0.00 0.70 0.00 0.00 55.95 56.11 2dj3 s SER 131 Cb -0.17 -0.14 0.14 0.00 -1.71 0.00 0.00 66.02 64.13 2dj3 s SER 131 CO 0.57 -0.20 0.89 -0.44 1.20 0.00 0.00 173.24 175.26 2dj3 s SER 132 N -3.34 -0.68 0.00 5.45 0.01 -1.26 -5.22 113.70 108.67 2dj3 s SER 132 Ca 0.24 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.52 2dj3 s SER 132 Cb -0.00 1.46 0.00 0.00 0.21 0.00 0.00 66.02 67.69 2dj3 s SER 132 CO 0.08 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.18