#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhj s SER 2 N 0.00 6.29 0.72 1.61 0.01 -1.26 -4.02 113.70 117.04 2dhj s SER 2 Ca 0.00 0.35 -0.11 0.00 1.31 0.00 0.00 55.95 57.50 2dhj s SER 2 Cb 0.00 -1.97 0.03 0.00 0.21 0.00 0.00 66.02 64.29 2dhj s SER 2 CO 0.00 0.30 1.10 -0.44 0.41 0.00 0.00 173.24 174.60 2dhj s SER 3 N -1.72 5.26 -0.60 2.44 0.01 -1.24 -4.84 113.70 113.01 2dhj s SER 3 Ca 0.24 1.02 -0.02 0.00 1.31 0.00 0.00 55.95 58.50 2dhj s SER 3 Cb -0.12 -1.76 0.40 0.00 0.21 0.00 0.00 66.02 64.74 2dhj s SER 3 CO 0.15 -1.44 2.04 0.61 0.41 0.00 0.00 173.24 175.01 2dhj n GLY 4 N -3.04 5.51 2.92 3.44 0.00 -1.26 -4.84 105.19 107.93 2dhj n GLY 4 Ca 0.07 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 2dhj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhj s SER 5 N -1.41 4.16 -0.03 1.61 0.15 -1.26 -5.10 113.70 111.82 2dhj s SER 5 Ca 0.58 -1.55 0.01 0.00 0.70 0.00 0.00 55.95 55.69 2dhj s SER 5 Cb 0.45 -1.24 0.02 0.00 -1.71 0.00 0.00 66.02 63.54 2dhj s SER 5 CO -0.01 -0.31 -0.02 -0.55 1.20 0.00 0.00 173.24 173.54 2dhj s SER 6 N 1.30 0.60 0.00 5.45 0.15 -1.26 -4.57 113.70 115.37 2dhj s SER 6 Ca 0.02 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2dhj s SER 6 Cb -0.19 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 2dhj s SER 6 CO -0.11 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2dhj n GLY 7 N 3.84 0.80 3.65 9.45 0.00 -1.26 -5.09 105.19 116.58 2dhj n GLY 7 Ca -0.24 -0.44 -0.45 0.00 0.00 0.00 0.00 46.02 44.89 2dhj n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dhj n ASP 8 N 0.00 2.35 -4.53 1.61 2.03 -1.26 -4.79 116.55 111.95 2dhj n ASP 8 Ca 0.00 1.15 -0.46 0.00 0.52 0.00 0.00 54.79 56.00 2dhj n ASP 8 Cb 0.00 -1.38 -0.05 0.00 -0.72 0.00 0.00 41.12 38.97 2dhj n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dhj n ALA 9 N 1.52 1.49 -0.32 -1.67 0.00 -1.26 -4.70 120.51 115.56 2dhj n ALA 9 Ca 0.11 -0.18 0.17 0.00 0.00 0.00 0.00 53.44 53.55 2dhj n ALA 9 Cb 0.31 -2.77 0.35 0.00 0.00 0.00 0.00 19.45 17.34 2dhj n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhj h ALA 10 N 14.00 1.44 -2.81 0.00 0.00 -1.03 -3.44 119.26 127.42 2dhj h ALA 10 Ca -0.35 0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2dhj h ALA 10 Cb 1.27 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 19.34 2dhj h ALA 10 CO 0.99 -0.58 0.29 0.21 0.00 0.00 0.00 179.25 180.16 2dhj s LYS 11 N -5.87 1.31 0.04 0.00 2.20 -1.16 -5.04 119.74 111.23 2dhj s LYS 11 Ca -0.12 -0.58 -0.27 0.00 -0.36 0.00 0.00 55.97 54.64 2dhj s LYS 11 Cb 0.28 0.54 0.08 0.00 -1.51 0.00 0.00 37.83 37.22 2dhj s LYS 11 CO 0.78 -0.59 0.71 -1.83 -0.36 0.00 0.00 175.35 174.06 2dhj s GLU 12 N -3.64 1.08 0.00 4.03 -1.05 -1.26 -0.74 118.70 117.12 2dhj s GLU 12 Ca 0.05 -0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.70 2dhj s GLU 12 Cb -0.02 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 2dhj s GLU 12 CO -0.06 -0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.13 2dhj n GLY 13 N 0.11 2.63 3.73 -3.83 0.00 -1.05 -5.03 105.19 101.74 2dhj n GLY 13 Ca -0.16 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 2dhj n GLY 13 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dhj s TRP 14 N -2.00 3.32 0.06 1.61 0.52 -1.26 -2.06 118.94 119.13 2dhj s TRP 14 Ca 0.00 1.19 -0.18 0.00 0.02 0.00 0.00 56.10 57.13 2dhj s TRP 14 Cb 0.00 -3.56 0.04 0.00 -1.15 0.00 0.00 33.47 28.80 2dhj s TRP 14 CO 0.00 -1.79 0.41 -0.51 0.02 0.00 0.00 176.95 175.08 2dhj s LEU 15 N 0.49 0.39 -0.51 2.99 1.43 -1.26 -4.77 118.68 117.45 2dhj s LEU 15 Ca 0.59 -0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 53.41 2dhj s LEU 15 Cb -0.34 1.77 0.05 0.00 0.03 0.00 0.00 46.19 47.69 2dhj s LEU 15 CO 0.33 -0.71 0.73 -1.00 0.23 0.00 0.00 176.35 175.93 2dhj s HIS 16 N -2.78 2.97 -0.42 0.29 3.76 -1.22 -2.29 115.29 115.60 2dhj s HIS 16 Ca -0.03 -0.28 -0.19 0.00 -0.15 0.00 0.00 55.06 54.41 2dhj s HIS 16 Cb -0.00 -3.66 0.02 0.00 1.11 0.00 0.00 32.58 30.04 2dhj s HIS 16 CO -0.05 -1.10 0.54 0.12 -0.85 0.00 0.00 174.74 173.40 2dhj s PHE 17 N 3.07 3.12 -0.39 1.40 5.36 -0.47 -3.26 117.98 126.80 2dhj s PHE 17 Ca 0.21 -0.16 0.03 0.00 -0.96 0.00 0.00 56.93 56.05 2dhj s PHE 17 Cb -0.16 -3.10 0.11 0.00 -0.34 0.00 0.00 43.02 39.54 2dhj s PHE 17 CO 0.16 -0.75 0.15 0.50 -1.46 0.00 0.00 175.22 173.81 2dhj s ARG 18 N 2.47 1.37 0.37 10.12 3.52 -0.70 -2.00 118.95 134.10 2dhj s ARG 18 Ca 0.18 -1.89 -0.27 0.00 -0.13 0.00 0.00 55.73 53.62 2dhj s ARG 18 Cb -0.16 -2.77 -0.09 0.00 -1.56 0.00 0.00 34.95 30.37 2dhj s ARG 18 CO 0.16 -1.03 1.20 -1.25 -0.81 0.00 0.00 175.30 173.57 2dhj s PRO 19 N 0.69 4.19 -0.13 5.12 0.04 -1.26 -0.56 135.00 143.08 2dhj s PRO 19 Ca 0.13 1.95 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 2dhj s PRO 19 Cb -0.21 -2.84 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 2dhj s PRO 19 CO -0.08 -0.23 0.14 -0.07 0.04 0.00 0.00 177.00 176.79 2dhj h LEU 20 N 2.97 0.00 -8.31 -3.56 3.38 -0.93 -3.47 115.31 105.38 2dhj h LEU 20 Ca -0.49 -0.27 -0.35 0.00 0.09 0.00 0.00 57.88 56.87 2dhj h LEU 20 Cb 1.23 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.77 2dhj h LEU 20 CO 0.64 0.80 -0.76 0.68 0.09 0.00 0.00 178.44 179.89 2dhj s VAL 21 N -1.97 0.86 0.00 1.22 -7.23 -1.25 -5.04 120.40 107.00 2dhj s VAL 21 Ca -0.11 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2dhj s VAL 21 Cb 0.01 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 36.06 2dhj s VAL 21 CO 0.27 -0.31 0.00 0.35 -0.31 0.00 0.00 175.10 175.10 2dhj n THR 22 N 1.32 0.00 -4.36 5.32 -2.24 -1.26 -4.41 114.28 108.65 2dhj n THR 22 Ca -0.22 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.31 2dhj n THR 22 Cb 0.54 -0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 68.28 2dhj n THR 22 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dhj s ASP 23 N -1.94 4.02 -0.50 3.42 1.01 -1.26 -5.08 116.67 116.34 2dhj s ASP 23 Ca 0.00 -0.75 -0.06 0.00 0.71 0.00 0.00 52.55 52.45 2dhj s ASP 23 Cb 0.00 -0.57 0.13 0.00 1.01 0.00 0.00 42.92 43.49 2dhj s ASP 23 CO 0.00 0.07 0.34 -1.59 0.21 0.00 0.00 175.17 174.20 2dhj s LYS 24 N -3.15 2.41 -0.31 8.23 -2.85 -1.26 -4.73 119.74 118.08 2dhj s LYS 24 Ca 0.27 -1.96 -0.00 0.00 -1.00 0.00 0.00 55.97 53.28 2dhj s LYS 24 Cb -0.07 -3.82 -0.00 0.00 -2.06 0.00 0.00 37.83 31.88 2dhj s LYS 24 CO 0.15 -1.16 0.29 0.41 0.10 0.00 0.00 175.35 175.14 2dhj n GLY 25 N 4.51 -0.65 3.34 0.59 0.00 -1.26 -5.08 105.19 106.64 2dhj n GLY 25 Ca -0.02 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.09 2dhj n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dhj s LYS 26 N -3.02 0.19 -0.06 1.61 2.47 -1.26 -5.15 119.74 114.52 2dhj s LYS 26 Ca 0.01 0.46 -0.24 0.00 -1.56 0.00 0.00 55.97 54.64 2dhj s LYS 26 Cb -0.00 0.26 -0.04 0.00 -1.46 0.00 0.00 37.83 36.59 2dhj s LYS 26 CO 0.31 -0.06 0.71 -0.98 0.16 0.00 0.00 175.35 175.48 2dhj s ARG 27 N 2.19 4.44 -0.00 4.03 1.70 -1.26 -4.91 118.95 125.14 2dhj s ARG 27 Ca -0.02 0.90 0.00 0.00 -0.47 0.00 0.00 55.73 56.15 2dhj s ARG 27 Cb -0.04 -3.44 -0.01 0.00 -0.57 0.00 0.00 34.95 30.90 2dhj s ARG 27 CO -0.17 0.08 0.02 1.33 -1.08 0.00 0.00 175.30 175.48 2dhj n VAL 28 N 3.70 0.00 -0.56 4.99 0.24 -1.26 -5.10 118.33 120.33 2dhj n VAL 28 Ca -0.01 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 2dhj n VAL 28 Cb 0.51 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 2dhj n VAL 28 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dhj n GLY 29 N 1.39 2.43 0.00 7.63 0.00 -1.26 -5.14 105.19 110.25 2dhj n GLY 29 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2dhj n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhj n GLY 30 N 0.00 0.46 3.82 -0.02 0.00 -1.26 -5.08 105.19 103.11 2dhj n GLY 30 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2dhj n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dhj s SER 31 N 0.83 7.03 0.55 1.61 1.04 -1.26 -5.05 113.70 118.45 2dhj s SER 31 Ca 0.00 1.25 -0.20 0.00 0.48 0.00 0.00 55.95 57.48 2dhj s SER 31 Cb 0.00 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 2dhj s SER 31 CO 0.00 0.22 1.23 -0.63 0.98 0.00 0.00 173.24 175.04 2dhj s ILE 32 N -1.21 2.62 0.56 -1.02 1.01 -1.26 -4.99 121.20 116.90 2dhj s ILE 32 Ca 0.32 0.42 -0.18 0.00 0.00 0.00 0.00 60.65 61.21 2dhj s ILE 32 Cb -0.19 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 2dhj s ILE 32 CO 0.19 -0.05 1.07 -0.13 0.00 0.00 0.00 174.94 176.03 2dhj s ARG 33 N -3.07 3.41 1.18 2.79 0.52 -1.26 -5.04 118.95 117.48 2dhj s ARG 33 Ca 0.73 1.37 -0.18 0.00 -0.52 0.00 0.00 55.73 57.13 2dhj s ARG 33 Cb -0.32 -2.04 0.27 0.00 0.52 0.00 0.00 34.95 33.39 2dhj s ARG 33 CO 0.37 -0.75 1.11 -1.25 0.02 0.00 0.00 175.30 174.79 2dhj s PRO 34 N -3.62 -1.03 0.85 3.54 0.04 -1.26 -4.97 135.00 128.56 2dhj s PRO 34 Ca 0.67 0.01 -0.15 0.00 0.04 0.00 0.00 61.00 61.57 2dhj s PRO 34 Cb -0.19 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 2dhj s PRO 34 CO 0.30 -3.60 0.23 0.91 0.04 0.00 0.00 177.00 174.88 2dhj n TRP 35 N -4.69 -1.89 -3.71 0.56 7.02 -1.26 -4.91 117.44 108.55 2dhj n TRP 35 Ca 0.12 0.24 -0.30 0.00 -1.02 0.00 0.00 57.50 56.55 2dhj n TRP 35 Cb 0.59 -1.77 -0.14 0.00 -2.42 0.00 0.00 31.31 27.57 2dhj n TRP 35 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2dhj s LYS 36 N -2.91 0.94 -0.28 -0.99 1.02 -0.85 -4.96 119.74 111.71 2dhj s LYS 36 Ca 0.57 -1.47 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 2dhj s LYS 36 Cb -0.27 -2.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 2dhj s LYS 36 CO 0.66 -1.07 1.60 -1.14 -0.92 0.00 0.00 175.35 174.49 2dhj s GLN 37 N 1.08 3.67 -0.21 1.68 0.74 -1.26 -1.37 119.66 123.98 2dhj s GLN 37 Ca 0.13 1.47 -0.10 0.00 0.05 0.00 0.00 55.36 56.91 2dhj s GLN 37 Cb -0.21 -4.06 0.07 0.00 1.10 0.00 0.00 33.01 29.92 2dhj s GLN 37 CO -0.13 -1.45 0.48 0.00 -0.55 0.00 0.00 175.29 173.64 2dhj s MET 38 N 4.90 0.45 -0.42 1.67 0.23 -0.97 -4.93 119.30 120.23 2dhj s MET 38 Ca 0.71 0.97 -0.38 0.00 -1.03 0.00 0.00 55.69 55.96 2dhj s MET 38 Cb -0.22 0.15 -0.16 0.00 -1.53 0.00 0.00 34.83 33.06 2dhj s MET 38 CO 0.30 -0.18 1.54 0.98 -2.03 0.00 0.00 175.02 175.63 2dhj n TYR 39 N 4.61 1.24 -3.83 3.16 4.19 0.99 -4.25 117.16 123.28 2dhj n TYR 39 Ca -0.19 0.82 -0.36 0.00 3.31 0.00 0.00 57.90 61.48 2dhj n TYR 39 Cb 0.54 -1.88 -0.12 0.00 0.49 0.00 0.00 39.34 38.37 2dhj n TYR 39 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2dhj s VAL 40 N 3.63 4.23 -0.04 2.97 1.01 -0.88 0.91 120.40 132.24 2dhj s VAL 40 Ca 0.93 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.73 2dhj s VAL 40 Cb -1.25 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2dhj s VAL 40 CO 0.62 0.37 -0.07 -0.69 0.00 0.00 0.00 175.10 175.33 2dhj s VAL 41 N 1.43 3.64 -0.26 2.92 1.01 0.53 -2.54 120.40 127.14 2dhj s VAL 41 Ca 0.05 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 2dhj s VAL 41 Cb -0.15 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 33.75 2dhj s VAL 41 CO 0.03 0.52 -0.07 -0.22 0.00 0.00 0.00 175.10 175.36 2dhj s LEU 42 N -1.05 3.34 -0.41 3.92 2.96 0.08 -0.38 118.68 127.14 2dhj s LEU 42 Ca 0.14 -1.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.00 2dhj s LEU 42 Cb -0.11 -1.63 0.12 0.00 0.50 0.00 0.00 46.19 45.06 2dhj s LEU 42 CO 0.04 -0.17 0.16 -0.13 -1.32 0.00 0.00 176.35 174.93 2dhj s ARG 43 N 1.25 1.47 3.97 1.98 0.52 -0.70 -0.39 118.95 127.05 2dhj s ARG 43 Ca -0.03 -2.01 0.00 0.00 -0.52 0.00 0.00 55.73 53.17 2dhj s ARG 43 Cb -0.18 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.42 2dhj s ARG 43 CO -0.04 -1.04 0.00 0.41 0.02 0.00 0.00 175.30 174.64 2dhj n GLY 44 N 3.85 1.79 0.09 -3.53 0.00 -1.26 -2.60 105.19 103.53 2dhj n GLY 44 Ca 0.04 0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.12 2dhj n GLY 44 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dhj n HIS 45 N 0.00 0.00 -5.02 1.61 8.25 -1.26 -4.69 115.22 114.12 2dhj n HIS 45 Ca 0.00 -0.45 -0.29 0.00 -0.26 0.00 0.00 57.72 56.72 2dhj n HIS 45 Cb 0.00 -0.07 -0.16 0.00 1.12 0.00 0.00 29.99 30.88 2dhj n HIS 45 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2dhj s SER 46 N -1.28 2.59 -0.30 0.41 0.01 -1.07 0.66 113.70 114.72 2dhj s SER 46 Ca 0.08 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 56.79 2dhj s SER 46 Cb 0.07 -0.91 -0.03 0.00 0.21 0.00 0.00 66.02 65.36 2dhj s SER 46 CO 0.01 0.16 0.18 -0.76 0.41 0.00 0.00 173.24 173.24 2dhj s LEU 47 N 0.16 4.12 -0.36 2.44 1.43 -1.04 -1.73 118.68 123.70 2dhj s LEU 47 Ca -0.09 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 2dhj s LEU 47 Cb -0.14 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.05 2dhj s LEU 47 CO 0.05 -0.14 0.14 -0.31 0.23 0.00 0.00 176.35 176.32 2dhj s TYR 48 N 1.69 3.27 0.41 0.29 2.02 0.49 -2.99 117.35 122.53 2dhj s TYR 48 Ca 0.06 -1.36 -0.01 0.00 -0.37 0.00 0.00 57.07 55.40 2dhj s TYR 48 Cb -0.17 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 38.98 2dhj s TYR 48 CO 0.09 -0.73 0.64 -0.51 -1.57 0.00 0.00 175.55 173.46 2dhj s LEU 49 N 1.43 3.81 -0.15 -1.29 1.02 -1.26 -0.35 118.68 121.90 2dhj s LEU 49 Ca -0.00 0.48 -0.13 0.00 0.02 0.00 0.00 54.13 54.49 2dhj s LEU 49 Cb -0.20 -3.36 0.04 0.00 0.02 0.00 0.00 46.19 42.69 2dhj s LEU 49 CO 0.03 -0.49 0.39 -0.31 0.02 0.00 0.00 176.35 175.99 2dhj s TYR 50 N -2.48 -0.44 0.36 0.29 2.02 0.26 -4.16 117.35 113.19 2dhj s TYR 50 Ca 0.44 1.06 0.09 0.00 -0.37 0.00 0.00 57.07 58.30 2dhj s TYR 50 Cb -0.10 0.16 0.67 0.00 -0.40 0.00 0.00 41.96 42.29 2dhj s TYR 50 CO 0.38 -0.22 1.84 1.57 -1.57 0.00 0.00 175.55 177.55 2dhj h LYS 51 N 5.70 0.20 -3.01 -0.62 2.10 -1.91 0.28 116.57 119.31 2dhj h LYS 51 Ca -0.28 -0.06 -0.23 0.00 -2.00 0.00 0.00 60.65 58.08 2dhj h LYS 51 Cb 1.18 -0.02 -0.32 0.00 -0.90 0.00 0.00 32.23 32.17 2dhj h LYS 51 CO 0.27 0.45 -0.54 0.16 -2.00 0.00 0.00 179.45 177.78 2dhj s ASP 52 N -6.89 0.16 0.00 7.07 -4.77 -1.26 -4.64 116.67 106.33 2dhj s ASP 52 Ca -0.05 0.48 0.13 0.00 -3.30 0.00 0.00 52.55 49.82 2dhj s ASP 52 Cb 0.15 0.46 0.71 0.00 -1.09 0.00 0.00 42.92 43.14 2dhj s ASP 52 CO 0.74 -0.20 1.28 2.29 0.70 0.00 0.00 175.17 179.98 2dhj n LYS 53 N 4.82 0.28 -0.32 2.11 2.85 -1.26 -3.26 118.16 123.37 2dhj n LYS 53 Ca -0.15 0.10 0.11 0.00 -1.05 0.00 0.00 58.31 57.31 2dhj n LYS 53 Cb 0.51 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.67 2dhj n LYS 53 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2dhj h ARG 54 N 0.00 0.64 -3.18 -1.58 9.65 -1.98 -3.29 114.38 114.64 2dhj h ARG 54 Ca 0.00 -0.04 -0.62 0.00 -1.10 0.00 0.00 59.98 58.22 2dhj h ARG 54 Cb 0.07 -0.15 -0.40 0.00 -1.39 0.00 0.00 29.97 28.10 2dhj h ARG 54 CO 0.00 0.43 -0.71 -1.21 2.80 0.00 0.00 179.97 181.28 2dhj s GLU 55 N -5.91 1.45 0.12 0.20 2.02 -1.20 -4.95 118.70 110.42 2dhj s GLU 55 Ca -0.12 -2.12 -0.11 0.00 0.02 0.00 0.00 54.97 52.65 2dhj s GLU 55 Cb 0.24 -2.61 -0.12 0.00 0.10 0.00 0.00 34.13 31.74 2dhj s GLU 55 CO 0.79 -1.13 1.33 0.37 0.02 0.00 0.00 175.26 176.64 2dhj h GLN 56 N 6.77 0.74 -0.34 1.61 4.15 -1.83 -3.32 115.11 122.89 2dhj h GLN 56 Ca -0.04 -0.60 0.04 0.00 0.77 0.00 0.00 58.65 58.82 2dhj h GLN 56 Cb 0.93 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.68 2dhj h GLN 56 CO 0.54 1.21 -0.39 1.15 -1.93 0.00 0.00 178.83 179.41 2dhj h THR 57 N 0.51 0.00 -2.55 2.39 2.02 -1.93 -3.42 112.91 109.93 2dhj h THR 57 Ca -0.05 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.55 2dhj h THR 57 Cb 1.39 0.00 0.19 0.00 -1.74 0.00 0.00 68.15 67.98 2dhj h THR 57 CO 0.15 0.00 -0.84 0.35 0.37 0.00 0.00 175.52 175.55 2dhj n THR 58 N -4.55 1.03 -0.86 3.16 -2.24 -1.25 -4.96 114.28 104.61 2dhj n THR 58 Ca -0.02 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.09 2dhj n THR 58 Cb 0.23 -0.36 0.17 0.00 -2.10 0.00 0.00 70.33 68.27 2dhj n THR 58 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2dhj n PRO 59 N 0.65 -2.46 -0.34 -0.78 -0.04 -1.26 -5.02 135.00 125.76 2dhj n PRO 59 Ca 0.08 -1.17 -0.23 0.00 -0.04 0.00 0.00 63.50 62.14 2dhj n PRO 59 Cb 0.49 -1.10 0.23 0.00 -0.04 0.00 0.00 33.50 33.07 2dhj n PRO 59 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dhj n SER 60 N -4.26 -3.68 -4.03 3.54 3.41 -1.26 -4.99 113.62 102.35 2dhj n SER 60 Ca 0.10 -0.67 -0.31 0.00 -0.26 0.00 0.00 58.87 57.73 2dhj n SER 60 Cb 0.39 -0.87 -0.15 0.00 -0.26 0.00 0.00 64.21 63.32 2dhj n SER 60 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2dhj s GLU 61 N -4.34 1.74 -0.11 4.33 0.41 -1.26 -4.76 118.70 114.72 2dhj s GLU 61 Ca 0.51 -1.68 0.00 0.00 -0.41 0.00 0.00 54.97 53.39 2dhj s GLU 61 Cb -0.09 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.18 2dhj s GLU 61 CO 0.43 -0.81 0.00 0.39 -0.49 0.00 0.00 175.26 174.78 2dhj n GLU 62 N 4.32 -1.98 -4.38 1.61 1.02 -1.26 -4.85 120.64 115.13 2dhj n GLU 62 Ca -0.03 0.06 -0.21 0.00 -0.02 0.00 0.00 57.16 56.96 2dhj n GLU 62 Cb 0.42 -4.33 -0.16 0.00 -0.02 0.00 0.00 31.44 27.35 2dhj n GLU 62 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dhj s GLU 63 N -3.55 1.09 0.39 3.49 0.41 -1.26 -5.14 118.70 114.12 2dhj s GLU 63 Ca 0.00 -0.28 -0.16 0.00 -0.41 0.00 0.00 54.97 54.12 2dhj s GLU 63 Cb 0.00 -0.99 -0.09 0.00 -1.78 0.00 0.00 34.13 31.27 2dhj s GLU 63 CO 0.00 0.05 0.83 1.14 -0.49 0.00 0.00 175.26 176.79 2dhj s GLN 64 N 0.46 4.00 0.40 1.61 -2.07 -1.26 -4.74 119.66 118.07 2dhj s GLN 64 Ca -0.08 0.78 -0.25 0.00 -1.82 0.00 0.00 55.36 53.99 2dhj s GLN 64 Cb -0.12 -2.32 -0.08 0.00 -1.09 0.00 0.00 33.01 29.40 2dhj s GLN 64 CO 0.01 0.01 1.19 -1.25 -1.32 0.00 0.00 175.29 173.93 2dhj s PRO 65 N -3.36 4.04 -0.46 9.60 0.04 -1.26 -4.95 135.00 138.66 2dhj s PRO 65 Ca 0.56 1.89 -0.12 0.00 0.04 0.00 0.00 61.00 63.37 2dhj s PRO 65 Cb -0.10 -2.69 0.09 0.00 0.04 0.00 0.00 34.50 31.84 2dhj s PRO 65 CO 0.21 -0.34 0.34 0.42 0.04 0.00 0.00 177.00 177.67 2dhj s ILE 66 N -1.39 4.64 -0.24 0.56 1.01 -1.16 -4.88 121.20 119.74 2dhj s ILE 66 Ca 0.57 -1.38 -0.28 0.00 0.00 0.00 0.00 60.65 59.56 2dhj s ILE 66 Cb -0.32 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2dhj s ILE 66 CO 0.40 -0.62 2.02 -0.44 0.00 0.00 0.00 174.94 176.30 2dhj s SER 67 N 2.54 5.72 -0.07 3.58 0.01 -1.26 -2.50 113.70 121.72 2dhj s SER 67 Ca 0.04 1.70 0.02 0.00 1.31 0.00 0.00 55.95 59.02 2dhj s SER 67 Cb -0.25 -2.52 0.15 0.00 0.21 0.00 0.00 66.02 63.61 2dhj s SER 67 CO 0.03 -1.78 0.98 1.33 0.41 0.00 0.00 173.24 174.21 2dhj n VAL 68 N 7.44 1.02 -1.89 3.43 0.24 0.21 -4.42 118.33 124.36 2dhj n VAL 68 Ca 0.26 -0.33 -0.43 0.00 -2.04 0.00 0.00 64.34 61.80 2dhj n VAL 68 Cb 0.45 -0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 32.11 2dhj n VAL 68 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2dhj s ASN 69 N 0.22 6.18 -1.23 -1.34 6.03 -1.26 -2.81 114.94 120.73 2dhj s ASN 69 Ca 0.11 1.93 -0.01 0.00 -1.03 0.00 0.00 52.86 53.86 2dhj s ASN 69 Cb 0.09 -2.53 -0.00 0.00 -3.03 0.00 0.00 41.25 35.78 2dhj s ASN 69 CO 0.03 -1.37 0.86 0.00 -2.03 0.00 0.00 177.10 174.59 2dhj n ALA 70 N 8.97 -2.06 -2.44 3.54 0.00 -1.26 -4.43 120.51 122.83 2dhj n ALA 70 Ca 0.22 -0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 2dhj n ALA 70 Cb 0.44 -2.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.38 2dhj n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhj s LEU 72 N -2.37 5.12 0.09 0.00 2.96 -1.00 -4.92 118.68 118.56 2dhj s LEU 72 Ca 0.41 -1.33 -0.09 0.00 -0.22 0.00 0.00 54.13 52.90 2dhj s LEU 72 Cb -0.13 -2.03 -0.06 0.00 0.50 0.00 0.00 46.19 44.47 2dhj s LEU 72 CO 0.20 -0.52 0.40 -0.63 -1.32 0.00 0.00 176.35 174.49 2dhj s ILE 73 N 1.50 5.10 -0.28 6.68 1.01 -1.26 -2.74 121.20 131.20 2dhj s ILE 73 Ca 0.03 0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.93 2dhj s ILE 73 Cb -0.22 -3.64 0.11 0.00 0.01 0.00 0.00 42.46 38.71 2dhj s ILE 73 CO 0.04 0.26 0.78 -1.81 0.00 0.00 0.00 174.94 174.21 2dhj s ASP 74 N -1.84 -0.81 -0.72 3.58 1.11 0.93 -5.00 116.67 113.92 2dhj s ASP 74 Ca 0.34 1.28 -0.30 0.00 0.18 0.00 0.00 52.55 54.05 2dhj s ASP 74 Cb -0.14 1.39 -0.15 0.00 1.07 0.00 0.00 42.92 45.09 2dhj s ASP 74 CO 0.19 -0.20 2.52 -0.38 1.18 0.00 0.00 175.17 178.48 2dhj n ILE 75 N 4.20 -0.01 -0.98 0.77 5.41 -1.26 0.11 119.36 127.60 2dhj n ILE 75 Ca -0.19 -0.32 -0.37 0.00 1.00 0.00 0.00 62.75 62.87 2dhj n ILE 75 Cb 0.58 -1.47 0.05 0.00 -0.71 0.00 0.00 39.64 38.08 2dhj n ILE 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2dhj n SER 76 N 12.33 -4.82 -3.59 4.38 3.41 -1.21 -4.75 113.62 119.37 2dhj n SER 76 Ca 0.52 0.13 -0.19 0.00 -0.26 0.00 0.00 58.87 59.07 2dhj n SER 76 Cb 0.24 -0.72 0.16 0.00 -0.26 0.00 0.00 64.21 63.63 2dhj n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dhj n TYR 77 N -2.92 -2.45 -0.05 7.33 4.11 -1.26 -4.90 117.16 117.02 2dhj n TYR 77 Ca -0.01 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.90 57.79 2dhj n TYR 77 Cb 0.62 -1.39 -0.12 0.00 -0.00 0.00 0.00 39.34 38.45 2dhj n TYR 77 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 2dhj n SER 78 N -1.69 1.41 -0.30 9.48 3.41 -1.26 -4.61 113.62 120.05 2dhj n SER 78 Ca 0.06 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.65 2dhj n SER 78 Cb 0.38 1.15 0.01 0.00 -0.26 0.00 0.00 64.21 65.49 2dhj n SER 78 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dhj n GLU 79 N -2.37 -0.21 -1.74 4.33 4.71 -1.26 -4.31 120.64 119.79 2dhj n GLU 79 Ca -0.17 1.16 -0.42 0.00 -0.01 0.00 0.00 57.16 57.73 2dhj n GLU 79 Cb 0.78 -1.72 -0.02 0.00 -1.01 0.00 0.00 31.44 29.47 2dhj n GLU 79 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2dhj n THR 80 N -5.09 1.01 0.20 2.62 5.66 -1.26 -4.92 114.28 112.50 2dhj n THR 80 Ca 0.07 -0.25 -0.15 0.00 -3.05 0.00 0.00 64.05 60.66 2dhj n THR 80 Cb 0.28 -1.90 -0.08 0.00 -1.55 0.00 0.00 70.33 67.08 2dhj n THR 80 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2dhj h LYS 81 N 4.73 -0.42 -4.35 1.09 6.56 -1.98 -3.43 116.57 118.76 2dhj h LYS 81 Ca -0.47 0.03 -0.63 0.00 -1.06 0.00 0.00 60.65 58.52 2dhj h LYS 81 Cb 1.23 0.10 0.01 0.00 -0.57 0.00 0.00 32.23 33.00 2dhj h LYS 81 CO 0.79 -0.27 0.44 0.54 -2.06 0.00 0.00 179.45 178.89 2dhj n ARG 82 N -5.27 0.00 -2.75 3.15 1.74 -1.26 -4.91 116.66 107.36 2dhj n ARG 82 Ca -0.10 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.78 2dhj n ARG 82 Cb 0.20 -1.09 0.03 0.00 -1.02 0.00 0.00 32.46 30.58 2dhj n ARG 82 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2dhj s LYS 83 N 1.90 2.57 -1.52 5.56 -0.14 -1.26 -4.45 119.74 122.40 2dhj s LYS 83 Ca 0.75 -0.95 -0.14 0.00 -1.36 0.00 0.00 55.97 54.28 2dhj s LYS 83 Cb -1.07 -2.56 0.08 0.00 -1.68 0.00 0.00 37.83 32.60 2dhj s LYS 83 CO 0.57 -0.63 1.01 0.09 -0.76 0.00 0.00 175.35 175.63 2dhj n ASN 84 N -2.23 -5.01 -4.65 2.83 4.13 -1.26 -4.34 115.26 104.73 2dhj n ASN 84 Ca 0.09 -0.75 -0.35 0.00 1.68 0.00 0.00 54.58 55.25 2dhj n ASN 84 Cb 0.60 -3.99 -0.10 0.00 -1.54 0.00 0.00 39.78 34.75 2dhj n ASN 84 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2dhj s VAL 85 N -3.30 4.24 0.02 2.41 1.01 -1.26 -0.01 120.40 123.51 2dhj s VAL 85 Ca 0.66 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.43 2dhj s VAL 85 Cb -0.33 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2dhj s VAL 85 CO 0.82 0.59 -0.16 0.72 0.00 0.00 0.00 175.10 177.07 2dhj s PHE 86 N -0.72 1.40 -0.20 5.22 -0.71 -0.67 -3.35 117.98 118.96 2dhj s PHE 86 Ca 0.11 -0.32 -0.13 0.00 -1.04 0.00 0.00 56.93 55.54 2dhj s PHE 86 Cb -0.12 -0.86 -0.05 0.00 -1.21 0.00 0.00 43.02 40.79 2dhj s PHE 86 CO 0.02 0.03 0.28 0.50 -1.34 0.00 0.00 175.22 174.71 2dhj s ARG 87 N -0.88 4.18 0.09 1.99 3.52 0.12 -2.46 118.95 125.51 2dhj s ARG 87 Ca 0.04 0.01 0.09 0.00 -0.13 0.00 0.00 55.73 55.74 2dhj s ARG 87 Cb -0.07 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 2dhj s ARG 87 CO 0.01 0.11 -0.23 -1.17 -0.81 0.00 0.00 175.30 173.21 2dhj s LEU 88 N 0.89 2.26 -0.06 -0.88 0.20 -1.18 -0.05 118.68 119.86 2dhj s LEU 88 Ca 0.14 -0.66 -0.01 0.00 0.69 0.00 0.00 54.13 54.30 2dhj s LEU 88 Cb -0.13 -1.02 0.03 0.00 -0.43 0.00 0.00 46.19 44.63 2dhj s LEU 88 CO 0.05 0.13 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.33 2dhj s THR 89 N -1.03 0.46 -0.08 3.68 2.01 -1.11 -2.73 115.64 116.84 2dhj s THR 89 Ca 0.09 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 2dhj s THR 89 Cb -0.10 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 2dhj s THR 89 CO 0.04 0.25 -0.03 0.42 -0.69 0.00 0.00 174.62 174.61 2dhj s THR 90 N 1.61 4.01 0.61 -0.82 -4.23 0.57 -2.36 115.64 115.03 2dhj s THR 90 Ca -0.00 -0.36 0.26 0.00 -1.18 0.00 0.00 61.69 60.41 2dhj s THR 90 Cb -0.13 -2.66 0.38 0.00 1.34 0.00 0.00 72.50 71.43 2dhj s THR 90 CO -0.04 0.60 1.33 -1.28 -0.54 0.00 0.00 174.62 174.69 2dhj h SER 91 N 5.21 0.00 0.00 3.99 0.87 -1.77 0.61 113.55 122.45 2dhj h SER 91 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2dhj h SER 91 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2dhj h SER 91 CO 0.53 0.00 -0.08 0.44 -0.53 0.00 0.00 176.83 177.19 2dhj h ASP 92 N 0.00 0.00 -5.48 6.23 5.19 -1.93 -3.50 116.42 116.93 2dhj h ASP 92 Ca 0.47 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.63 2dhj h ASP 92 Cb 2.82 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 42.25 2dhj h ASP 92 CO -0.00 0.41 -0.17 0.00 -3.12 0.00 0.00 179.24 176.36 2dhj s GLU 94 N -3.11 2.63 0.32 0.00 2.12 -1.26 -0.32 118.70 119.08 2dhj s GLU 94 Ca 0.29 -0.84 0.06 0.00 0.36 0.00 0.00 54.97 54.84 2dhj s GLU 94 Cb -0.01 -2.25 -0.03 0.00 0.26 0.00 0.00 34.13 32.10 2dhj s GLU 94 CO 0.19 0.41 0.27 0.00 -0.54 0.00 0.00 175.26 175.59 2dhj s LEU 96 N -3.34 2.43 0.04 0.00 1.43 0.27 -3.10 118.68 116.41 2dhj s LEU 96 Ca 0.40 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2dhj s LEU 96 Cb 0.03 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 2dhj s LEU 96 CO 0.26 0.02 -0.05 -0.36 0.23 0.00 0.00 176.35 176.45 2dhj s PHE 97 N -1.85 0.52 -0.01 0.29 0.08 -1.03 -1.73 117.98 114.26 2dhj s PHE 97 Ca 0.17 -0.65 0.01 0.00 0.12 0.00 0.00 56.93 56.58 2dhj s PHE 97 Cb -0.07 -0.34 0.00 0.00 -0.57 0.00 0.00 43.02 42.05 2dhj s PHE 97 CO 0.07 -0.18 -0.03 -1.14 -0.10 0.00 0.00 175.22 173.84 2dhj s GLN 98 N -2.18 0.31 0.42 0.44 0.74 -1.20 -1.67 119.66 116.52 2dhj s GLN 98 Ca -0.07 -0.11 0.08 0.00 0.05 0.00 0.00 55.36 55.30 2dhj s GLN 98 Cb -0.05 -0.32 -0.02 0.00 1.10 0.00 0.00 33.01 33.71 2dhj s GLN 98 CO -0.02 0.06 0.35 0.00 -0.55 0.00 0.00 175.29 175.13 2dhj s ALA 99 N 0.03 4.00 -0.06 1.58 0.00 0.99 -3.40 121.76 124.90 2dhj s ALA 99 Ca 0.00 -1.92 -0.23 0.00 0.00 0.00 0.00 51.96 49.82 2dhj s ALA 99 Cb -0.03 -0.93 -0.31 0.00 0.00 0.00 0.00 23.12 21.85 2dhj s ALA 99 CO -0.00 -0.22 0.88 1.05 0.00 0.00 0.00 175.76 177.47 2dhj h GLU 100 N 1.08 0.26 -5.25 0.00 4.11 -1.86 -3.43 114.58 109.49 2dhj h GLU 100 Ca -0.42 -0.45 -0.44 0.00 0.07 0.00 0.00 59.36 58.13 2dhj h GLU 100 Cb 1.26 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 30.54 2dhj h GLU 100 CO 0.59 1.22 -0.65 0.34 0.07 0.00 0.00 179.01 180.57 2dhj s ASP 101 N -6.88 2.24 0.16 3.06 2.15 -1.26 -4.95 116.67 111.18 2dhj s ASP 101 Ca -0.14 -1.24 -0.16 0.00 0.43 0.00 0.00 52.55 51.43 2dhj s ASP 101 Cb 0.00 -0.07 0.05 0.00 -0.30 0.00 0.00 42.92 42.61 2dhj s ASP 101 CO 0.81 -0.48 1.77 -0.09 -0.17 0.00 0.00 175.17 177.01 2dhj h ARG 102 N 2.33 0.34 -0.52 4.34 2.43 -1.93 -1.77 114.38 119.59 2dhj h ARG 102 Ca -0.39 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.73 2dhj h ARG 102 Cb 1.23 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2dhj h ARG 102 CO 0.66 0.22 0.21 -0.44 -1.51 0.00 0.00 179.97 179.12 2dhj h ASP 103 N 0.35 0.73 -0.82 -3.80 5.19 -1.99 -1.82 116.42 114.25 2dhj h ASP 103 Ca 0.16 -0.17 0.09 0.00 -0.62 0.00 0.00 57.03 56.49 2dhj h ASP 103 Cb 0.09 -0.19 -0.07 0.00 0.18 0.00 0.00 39.33 39.34 2dhj h ASP 103 CO -0.13 0.70 0.48 0.44 -3.12 0.00 0.00 179.24 177.61 2dhj h ASP 104 N 0.71 0.70 0.24 6.45 5.19 -1.86 -1.48 116.42 126.36 2dhj h ASP 104 Ca 0.17 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 2dhj h ASP 104 Cb 0.20 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2dhj h ASP 104 CO -0.01 0.41 -0.12 -0.03 -3.12 0.00 0.00 179.24 176.37 2dhj h MET 105 N 0.82 -0.31 -0.80 3.56 1.85 -1.05 -3.03 114.93 115.96 2dhj h MET 105 Ca 0.39 0.02 0.19 0.00 -0.61 0.00 0.00 59.70 59.69 2dhj h MET 105 Cb 0.32 0.07 -0.12 0.00 0.43 0.00 0.00 31.60 32.30 2dhj h MET 105 CO -0.23 0.02 0.22 -0.07 -0.40 0.00 0.00 176.91 176.44 2dhj h LEU 106 N -0.68 0.04 -0.60 3.39 -0.00 -1.03 0.11 115.31 116.54 2dhj h LEU 106 Ca -0.03 0.16 0.08 0.00 -0.00 0.00 0.00 57.88 58.08 2dhj h LEU 106 Cb 0.47 0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 41.28 2dhj h LEU 106 CO 0.05 -0.07 0.27 0.00 -0.00 0.00 0.00 178.44 178.70 2dhj h ALA 107 N 1.67 0.79 0.47 1.53 0.00 -1.25 -1.62 119.26 120.86 2dhj h ALA 107 Ca 0.47 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 2dhj h ALA 107 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2dhj h ALA 107 CO -0.56 -0.11 -0.23 -1.49 0.00 0.00 0.00 179.25 176.87 2dhj h TRP 108 N 0.50 -0.59 -0.52 0.00 4.06 -0.70 -0.18 115.95 118.52 2dhj h TRP 108 Ca 0.29 -0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.33 2dhj h TRP 108 Cb 0.28 0.19 -0.11 0.00 -1.00 0.00 0.00 29.16 28.53 2dhj h TRP 108 CO -0.13 -0.31 -0.28 0.82 -3.56 0.00 0.00 178.44 174.98 2dhj h ILE 109 N -0.76 0.25 0.83 1.49 2.04 -1.01 0.72 117.51 121.07 2dhj h ILE 109 Ca -0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 2dhj h ILE 109 Cb 0.54 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2dhj h ILE 109 CO 0.11 0.00 -0.40 0.50 0.00 0.00 0.00 178.15 178.36 2dhj h LYS 110 N -0.15 -1.08 -0.60 2.37 3.64 -1.26 0.51 116.57 119.99 2dhj h LYS 110 Ca 0.23 0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.74 2dhj h LYS 110 Cb 0.52 0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 32.50 2dhj h LYS 110 CO -0.61 -0.72 -0.47 1.15 -2.27 0.00 0.00 179.45 176.53 2dhj h THR 111 N -1.16 0.00 0.25 1.00 2.02 -0.64 0.35 112.91 114.74 2dhj h THR 111 Ca -0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.07 2dhj h THR 111 Cb 0.86 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2dhj h THR 111 CO 0.19 0.00 -0.37 0.40 0.37 0.00 0.00 175.52 176.11 2dhj h ILE 112 N -0.14 0.25 -1.05 3.11 2.04 -0.90 -1.62 117.51 119.19 2dhj h ILE 112 Ca 0.10 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.24 2dhj h ILE 112 Cb 0.40 0.25 -0.11 0.00 -0.74 0.00 0.00 36.82 36.61 2dhj h ILE 112 CO -0.64 0.00 0.65 1.56 0.00 0.00 0.00 178.15 179.72 2dhj h GLN 113 N -0.68 0.41 -0.36 2.37 4.20 -0.04 0.21 115.11 121.22 2dhj h GLN 113 Ca -0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2dhj h GLN 113 Cb 0.66 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2dhj h GLN 113 CO -0.13 0.27 0.07 0.93 -0.67 0.00 0.00 178.83 179.30 2dhj h GLU 114 N 0.43 0.59 -0.14 1.46 4.39 0.59 0.42 114.58 122.32 2dhj h GLU 114 Ca 0.64 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 60.19 2dhj h GLU 114 Cb 1.52 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.09 2dhj h GLU 114 CO -0.39 0.64 0.06 0.77 -1.16 0.00 0.00 179.01 178.93 2dhj h SER 115 N 0.43 0.19 0.79 1.42 0.02 0.05 -2.74 113.55 113.71 2dhj h SER 115 Ca 0.11 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 2dhj h SER 115 Cb 0.33 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2dhj h SER 115 CO 0.00 0.29 -0.37 0.77 -1.14 0.00 0.00 176.83 176.38 2dhj h SER 116 N 0.08 0.00 -4.17 3.07 4.64 -1.11 -3.29 113.55 112.78 2dhj h SER 116 Ca 0.05 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.87 2dhj h SER 116 Cb 0.15 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.39 2dhj h SER 116 CO -0.00 0.37 0.27 0.20 -0.87 0.00 0.00 176.83 176.80 2dhj s ASN 117 N -6.47 3.85 -0.34 4.97 0.01 0.15 -3.98 114.94 113.12 2dhj s ASN 117 Ca -0.00 1.63 -0.01 0.00 -0.71 0.00 0.00 52.86 53.77 2dhj s ASN 117 Cb 0.11 -2.31 0.25 0.00 0.41 0.00 0.00 41.25 39.72 2dhj s ASN 117 CO 0.69 -2.42 1.95 0.00 -1.51 0.00 0.00 177.10 175.81 2dhj n LEU 118 N -3.76 6.40 -3.73 0.60 -0.00 -1.26 -3.87 117.00 111.39 2dhj n LEU 118 Ca 0.08 -3.31 -0.42 0.00 -0.00 0.00 0.00 56.01 52.36 2dhj n LEU 118 Cb 0.54 -1.00 -0.12 0.00 -0.00 0.00 0.00 43.42 42.84 2dhj n LEU 118 CO 0.55 1.19 1.71 0.59 -0.00 0.00 0.00 177.39 181.43 2dhj n ASN 119 N 0.14 0.42 -3.50 1.45 4.13 -1.26 -4.59 115.26 112.05 2dhj n ASN 119 Ca 0.33 0.34 -0.50 0.00 1.68 0.00 0.00 54.58 56.43 2dhj n ASN 119 Cb 0.65 -0.77 -0.08 0.00 -1.54 0.00 0.00 39.78 38.04 2dhj n ASN 119 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2dhj n SER 120 N 7.79 0.85 0.00 6.41 7.64 -1.26 -4.67 113.62 130.38 2dhj n SER 120 Ca 0.52 0.82 0.00 0.00 1.01 0.00 0.00 58.87 61.22 2dhj n SER 120 Cb -0.00 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2dhj n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhj n GLY 121 N 3.51 -3.20 3.56 0.23 0.00 -1.26 -4.04 105.19 103.98 2dhj n GLY 121 Ca 0.27 0.39 -0.31 0.00 0.00 0.00 0.00 46.02 46.37 2dhj n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dhj s PRO 122 N -1.56 2.58 -0.15 1.61 0.04 -1.26 -4.79 135.00 131.47 2dhj s PRO 122 Ca 0.00 0.01 -0.18 0.00 0.04 0.00 0.00 61.00 60.87 2dhj s PRO 122 Cb 0.00 -4.84 -0.15 0.00 0.04 0.00 0.00 34.50 29.55 2dhj s PRO 122 CO 0.00 -3.16 0.32 1.03 0.04 0.00 0.00 177.00 175.23 2dhj h SER 123 N 12.52 0.00 -0.90 6.66 0.87 -1.97 -3.45 113.55 127.28 2dhj h SER 123 Ca -0.02 -0.50 -0.73 0.00 -1.23 0.00 0.00 61.79 59.31 2dhj h SER 123 Cb 1.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2dhj h SER 123 CO 1.21 0.97 1.22 -0.24 -0.53 0.00 0.00 176.83 179.47 2dhj n SER 124 N -4.61 1.78 0.00 6.23 2.88 -1.26 -5.20 113.62 113.44 2dhj n SER 124 Ca -0.13 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2dhj n SER 124 Cb 0.39 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2dhj n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42