#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 6.38 0.58 1.61 0.01 -1.26 -5.09 113.70 115.93 2dhj s SER 2 Ca 0.00 0.46 -0.14 0.00 1.31 0.00 0.00 55.95 57.57 2dhj s SER 2 Cb 0.00 -2.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 2dhj s SER 2 CO 0.00 0.39 1.02 -0.55 0.41 0.00 0.00 173.24 174.52 2dhj s SER 3 N -0.94 6.20 0.00 2.44 0.15 -1.26 -4.37 113.70 115.92 2dhj s SER 3 Ca 0.15 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.39 2dhj s SER 3 Cb -0.12 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2dhj s SER 3 CO 0.04 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.20 2dhj n GLY 4 N -1.78 3.47 3.47 9.45 0.00 -1.26 -5.09 105.19 113.45 2dhj n GLY 4 Ca 0.07 -1.02 -0.47 0.00 0.00 0.00 0.00 46.02 44.60 2dhj n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dhj n SER 5 N 0.00 -0.26 -4.83 1.61 2.88 -1.26 -4.96 113.62 106.80 2dhj n SER 5 Ca 0.00 1.15 -0.25 0.00 -1.33 0.00 0.00 58.87 58.44 2dhj n SER 5 Cb 0.00 -1.08 -0.05 0.00 -0.75 0.00 0.00 64.21 62.34 2dhj n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dhj s SER 6 N -0.80 5.64 0.00 -3.46 0.15 -1.26 -4.96 113.70 109.02 2dhj s SER 6 Ca 0.63 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2dhj s SER 6 Cb -0.85 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2dhj s SER 6 CO 0.57 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.66 2dhj n GLY 7 N -0.63 0.41 3.01 9.45 0.00 -1.26 -5.12 105.19 111.06 2dhj n GLY 7 Ca -0.08 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 2dhj n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dhj n ASP 8 N 0.00 -3.99 -4.56 1.61 9.92 -1.26 -4.61 116.55 113.65 2dhj n ASP 8 Ca 0.00 0.51 -0.52 0.00 -0.53 0.00 0.00 54.79 54.25 2dhj n ASP 8 Cb 0.00 -0.78 -0.07 0.00 -0.64 0.00 0.00 41.12 39.63 2dhj n ASP 8 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dhj n ALA 9 N -1.64 0.68 -0.25 2.24 0.00 -1.26 -4.71 120.51 115.56 2dhj n ALA 9 Ca 0.05 0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.68 2dhj n ALA 9 Cb 0.46 -2.44 0.19 0.00 0.00 0.00 0.00 19.45 17.66 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 10.31 1.02 -2.96 0.00 0.00 -1.04 -3.45 119.26 123.14 2dhj h ALA 10 Ca -0.36 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2dhj h ALA 10 Cb 1.31 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 19.15 2dhj h ALA 10 CO 0.99 -0.27 0.16 0.21 0.00 0.00 0.00 179.25 180.34 2dhj s LYS 11 N -6.03 1.42 -0.28 0.00 2.20 -0.92 -5.03 119.74 111.11 2dhj s LYS 11 Ca -0.13 -0.70 -0.22 0.00 -0.36 0.00 0.00 55.97 54.57 2dhj s LYS 11 Cb 0.21 0.57 0.09 0.00 -1.51 0.00 0.00 37.83 37.20 2dhj s LYS 11 CO 0.76 -0.62 0.82 -1.83 -0.36 0.00 0.00 175.35 174.11 2dhj s GLU 12 N -3.82 0.68 0.00 4.03 -1.05 -1.26 -0.41 118.70 116.87 2dhj s GLU 12 Ca 0.05 0.92 0.00 0.00 -0.15 0.00 0.00 54.97 55.79 2dhj s GLU 12 Cb -0.02 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 2dhj s GLU 12 CO -0.06 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.46 2dhj n GLY 13 N 3.07 0.83 3.71 -3.83 0.00 -1.04 -5.04 105.19 102.89 2dhj n GLY 13 Ca -0.16 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 3.09 -0.07 1.61 0.52 -1.26 -2.46 118.94 118.37 2dhj s TRP 14 Ca 0.00 0.83 -0.20 0.00 0.02 0.00 0.00 56.10 56.76 2dhj s TRP 14 Cb 0.00 -3.74 0.04 0.00 -1.15 0.00 0.00 33.47 28.63 2dhj s TRP 14 CO 0.00 -2.66 0.45 -0.51 0.02 0.00 0.00 176.95 174.25 2dhj s LEU 15 N 1.44 0.27 -0.43 2.99 1.43 -1.26 -4.87 118.68 118.24 2dhj s LEU 15 Ca 0.66 0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 53.99 2dhj s LEU 15 Cb -0.37 1.70 0.02 0.00 0.03 0.00 0.00 46.19 47.58 2dhj s LEU 15 CO 0.30 -0.41 0.96 -1.00 0.23 0.00 0.00 176.35 176.42 2dhj s HIS 16 N -0.86 2.96 -0.34 0.29 3.76 -1.24 -3.10 115.29 116.75 2dhj s HIS 16 Ca -0.09 0.56 -0.17 0.00 -0.15 0.00 0.00 55.06 55.20 2dhj s HIS 16 Cb -0.03 -3.94 -0.01 0.00 1.11 0.00 0.00 32.58 29.71 2dhj s HIS 16 CO 0.05 -1.04 0.48 0.12 -0.85 0.00 0.00 174.74 173.50 2dhj s PHE 17 N 3.77 3.19 -0.29 1.40 5.36 -0.61 -3.02 117.98 127.78 2dhj s PHE 17 Ca 0.39 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.53 2dhj s PHE 17 Cb -0.10 -2.86 0.09 0.00 -0.34 0.00 0.00 43.02 39.81 2dhj s PHE 17 CO 0.25 -0.50 0.06 0.50 -1.46 0.00 0.00 175.22 174.07 2dhj s ARG 18 N 2.31 1.00 0.24 10.12 3.52 -1.01 -1.64 118.95 133.50 2dhj s ARG 18 Ca 0.17 -1.15 -0.30 0.00 -0.13 0.00 0.00 55.73 54.32 2dhj s ARG 18 Cb -0.16 -2.33 -0.09 0.00 -1.56 0.00 0.00 34.95 30.81 2dhj s ARG 18 CO 0.13 -0.88 1.27 -1.25 -0.81 0.00 0.00 175.30 173.76 2dhj s PRO 19 N 1.46 4.42 -0.01 5.12 0.04 -1.26 0.77 135.00 145.55 2dhj s PRO 19 Ca 0.06 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 62.94 2dhj s PRO 19 Cb -0.18 -3.17 -0.12 0.00 0.04 0.00 0.00 34.50 31.07 2dhj s PRO 19 CO -0.17 -0.16 0.91 -0.07 0.04 0.00 0.00 177.00 177.55 2dhj h LEU 20 N 4.66 -0.61 -7.88 -3.56 -0.00 -0.82 -3.46 115.31 103.63 2dhj h LEU 20 Ca -0.46 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.88 57.28 2dhj h LEU 20 Cb 1.22 0.16 -0.18 0.00 -0.00 0.00 0.00 40.66 41.85 2dhj h LEU 20 CO 0.73 -0.21 -0.52 0.68 -0.00 0.00 0.00 178.44 179.12 2dhj s VAL 21 N -4.08 0.13 0.00 1.22 -7.23 -1.26 -4.97 120.40 104.22 2dhj s VAL 21 Ca -0.12 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 2dhj s VAL 21 Cb 0.01 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 36.13 2dhj s VAL 21 CO 0.36 -0.57 0.00 0.35 -0.31 0.00 0.00 175.10 174.93 2dhj n THR 22 N 0.87 0.00 -0.04 5.32 -2.24 -1.26 -4.42 114.28 112.52 2dhj n THR 22 Ca -0.20 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 2dhj n THR 22 Cb 0.58 -0.67 -0.13 0.00 -2.10 0.00 0.00 70.33 68.01 2dhj n THR 22 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2dhj h ASP 23 N 0.00 0.13 -6.62 3.42 3.32 -1.96 -3.47 116.42 111.23 2dhj h ASP 23 Ca 0.00 -0.96 -0.53 0.00 0.02 0.00 0.00 57.03 55.56 2dhj h ASP 23 Cb 0.69 -0.04 -0.16 0.00 0.22 0.00 0.00 39.33 40.04 2dhj h ASP 23 CO 0.00 1.08 -0.81 1.17 -1.72 0.00 0.00 179.24 178.96 2dhj n LYS 24 N -4.49 -3.86 0.05 3.56 0.00 -1.26 -4.65 118.16 107.51 2dhj n LYS 24 Ca -0.11 0.44 0.00 0.00 0.00 0.00 0.00 58.31 58.64 2dhj n LYS 24 Cb 0.56 -5.22 0.00 0.00 0.00 0.00 0.00 35.03 30.37 2dhj n LYS 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dhj n GLY 25 N -1.48 -1.44 3.85 3.14 0.00 -1.26 -5.15 105.19 102.85 2dhj n GLY 25 Ca 0.07 0.32 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 2dhj n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dhj s LYS 26 N -1.24 0.39 -0.84 1.61 -0.14 -1.26 -4.98 119.74 113.28 2dhj s LYS 26 Ca 0.00 -0.24 -0.18 0.00 -1.36 0.00 0.00 55.97 54.19 2dhj s LYS 26 Cb 0.00 -1.80 0.14 0.00 -1.68 0.00 0.00 37.83 34.49 2dhj s LYS 26 CO 0.00 -2.61 0.97 1.03 -0.76 0.00 0.00 175.35 173.99 2dhj s ARG 27 N -5.71 3.48 0.52 1.68 3.00 -1.26 -4.85 118.95 115.80 2dhj s ARG 27 Ca 0.72 -1.78 0.30 0.00 0.00 0.00 0.00 55.73 54.97 2dhj s ARG 27 Cb -0.07 -4.66 1.22 0.00 0.00 0.00 0.00 34.95 31.45 2dhj s ARG 27 CO 0.53 -1.64 1.94 -0.39 0.00 0.00 0.00 175.30 175.74 2dhj h VAL 28 N 5.63 0.19 -6.15 3.52 -1.51 -2.01 -3.48 116.25 112.44 2dhj h VAL 28 Ca 0.05 -0.70 -0.27 0.00 -1.23 0.00 0.00 66.70 64.54 2dhj h VAL 28 Cb 1.04 1.59 0.01 0.00 -2.13 0.00 0.00 31.29 31.80 2dhj h VAL 28 CO 1.03 0.07 -0.95 0.61 -1.23 0.00 0.00 177.57 177.10 2dhj n GLY 29 N 0.05 -0.42 0.01 5.19 0.00 -1.26 -4.78 105.19 103.98 2dhj n GLY 29 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 46.02 47.16 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 -0.37 -2.74 3.99 -0.02 0.00 -1.26 -5.03 105.19 99.75 2dhj n GLY 30 Ca -0.04 -2.08 -0.25 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.45 4.01 -0.03 1.61 1.04 -1.26 -5.07 113.70 111.54 2dhj s SER 31 Ca 0.00 -0.32 -0.07 0.00 0.48 0.00 0.00 55.95 56.03 2dhj s SER 31 Cb 0.00 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 2dhj s SER 31 CO 0.00 -2.11 -0.14 -0.38 0.98 0.00 0.00 173.24 171.59 2dhj n ILE 32 N -3.05 1.23 -4.07 -1.02 5.41 -1.26 -5.09 119.36 111.52 2dhj n ILE 32 Ca 0.16 0.23 -0.11 0.00 1.00 0.00 0.00 62.75 64.03 2dhj n ILE 32 Cb 0.60 -1.86 -0.11 0.00 -0.71 0.00 0.00 39.64 37.56 2dhj n ILE 32 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2dhj s ARG 33 N -2.35 0.56 1.22 0.38 0.52 -1.26 -5.16 118.95 112.85 2dhj s ARG 33 Ca -0.12 -0.89 -0.20 0.00 -0.52 0.00 0.00 55.73 54.00 2dhj s ARG 33 Cb 0.02 -0.16 0.29 0.00 0.52 0.00 0.00 34.95 35.63 2dhj s ARG 33 CO 0.18 0.00 1.11 -1.25 0.02 0.00 0.00 175.30 175.36 2dhj s PRO 34 N -2.21 -1.35 0.98 3.54 0.04 -1.26 -4.96 135.00 129.78 2dhj s PRO 34 Ca -0.05 -0.11 -0.17 0.00 0.04 0.00 0.00 61.00 60.71 2dhj s PRO 34 Cb -0.05 -1.58 -0.15 0.00 0.04 0.00 0.00 34.50 32.75 2dhj s PRO 34 CO -0.02 -3.79 -0.80 0.91 0.04 0.00 0.00 177.00 173.34 2dhj n TRP 35 N -4.81 -5.12 -3.72 0.56 7.02 -1.26 -4.94 117.44 105.17 2dhj n TRP 35 Ca 0.14 -0.04 -0.30 0.00 -1.02 0.00 0.00 57.50 56.29 2dhj n TRP 35 Cb 0.60 -1.40 -0.14 0.00 -2.42 0.00 0.00 31.31 27.95 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 -1.96 0.97 -0.27 -0.99 -0.14 -0.65 -4.95 119.74 111.74 2dhj s LYS 36 Ca 0.39 -1.51 -0.28 0.00 -1.36 0.00 0.00 55.97 53.21 2dhj s LYS 36 Cb -0.17 -2.14 -0.03 0.00 -1.68 0.00 0.00 37.83 33.81 2dhj s LYS 36 CO 0.81 -1.07 1.87 -1.14 -0.76 0.00 0.00 175.35 175.06 2dhj s GLN 37 N 1.03 3.40 -0.24 1.68 0.74 -1.26 -1.57 119.66 123.44 2dhj s GLN 37 Ca 0.14 1.64 -0.12 0.00 0.05 0.00 0.00 55.36 57.07 2dhj s GLN 37 Cb -0.21 -4.21 0.08 0.00 1.10 0.00 0.00 33.01 29.78 2dhj s GLN 37 CO -0.12 -1.78 0.57 0.00 -0.55 0.00 0.00 175.29 173.41 2dhj s MET 38 N 5.59 0.56 -0.40 1.67 0.23 -1.18 -4.87 119.30 120.91 2dhj s MET 38 Ca 0.83 1.10 -0.41 0.00 -1.03 0.00 0.00 55.69 56.18 2dhj s MET 38 Cb -0.26 0.19 -0.16 0.00 -1.53 0.00 0.00 34.83 33.07 2dhj s MET 38 CO 0.34 -0.17 1.95 0.98 -2.03 0.00 0.00 175.02 176.09 2dhj n TYR 39 N 4.52 1.63 -3.58 3.16 9.36 -0.00 -4.13 117.16 128.11 2dhj n TYR 39 Ca -0.19 0.65 -0.39 0.00 3.32 0.00 0.00 57.90 61.29 2dhj n TYR 39 Cb 0.56 -2.39 -0.11 0.00 -0.63 0.00 0.00 39.34 36.77 2dhj n TYR 39 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2dhj s VAL 40 N 5.10 5.26 -0.14 2.97 1.01 -1.03 -1.10 120.40 132.48 2dhj s VAL 40 Ca 1.09 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 63.10 2dhj s VAL 40 Cb -1.22 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 31.57 2dhj s VAL 40 CO 0.65 0.19 -0.04 -0.69 0.00 0.00 0.00 175.10 175.21 2dhj s VAL 41 N 1.74 3.90 -0.31 2.92 1.01 0.88 -2.50 120.40 128.04 2dhj s VAL 41 Ca 0.07 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 2dhj s VAL 41 Cb -0.16 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.55 2dhj s VAL 41 CO 0.11 0.52 0.10 -0.22 0.00 0.00 0.00 175.10 175.61 2dhj s LEU 42 N 0.06 4.05 -0.39 3.92 2.96 0.46 -0.42 118.68 129.31 2dhj s LEU 42 Ca -0.00 -0.83 0.03 0.00 -0.22 0.00 0.00 54.13 53.11 2dhj s LEU 42 Cb -0.13 -1.90 0.11 0.00 0.50 0.00 0.00 46.19 44.77 2dhj s LEU 42 CO 0.03 -0.24 0.13 -0.13 -1.32 0.00 0.00 176.35 174.82 2dhj s ARG 43 N 1.49 1.37 4.43 1.98 0.52 -0.63 -0.49 118.95 127.61 2dhj s ARG 43 Ca 0.02 -1.86 0.00 0.00 -0.52 0.00 0.00 55.73 53.36 2dhj s ARG 43 Cb -0.18 -2.80 0.00 0.00 0.52 0.00 0.00 34.95 32.49 2dhj s ARG 43 CO 0.03 -1.02 0.00 0.41 0.02 0.00 0.00 175.30 174.74 2dhj n GLY 44 N 4.04 1.83 0.06 -3.53 0.00 -1.26 -2.72 105.19 103.62 2dhj n GLY 44 Ca 0.04 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.03 2dhj n GLY 44 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2dhj n HIS 45 N 0.00 0.00 -5.06 1.61 1.44 -1.26 -4.83 115.22 107.12 2dhj n HIS 45 Ca 0.00 -0.51 -0.29 0.00 -2.01 0.00 0.00 57.72 54.91 2dhj n HIS 45 Cb 0.00 -0.07 -0.16 0.00 0.12 0.00 0.00 29.99 29.88 2dhj n HIS 45 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2dhj s SER 46 N -1.33 2.62 -0.38 4.39 0.01 -1.10 -0.54 113.70 117.37 2dhj s SER 46 Ca 0.08 -0.43 -0.08 0.00 1.31 0.00 0.00 55.95 56.83 2dhj s SER 46 Cb 0.07 -0.64 0.06 0.00 0.21 0.00 0.00 66.02 65.72 2dhj s SER 46 CO 0.01 0.21 0.20 -0.76 0.41 0.00 0.00 173.24 173.31 2dhj s LEU 47 N -0.15 4.80 -0.25 2.44 1.43 -1.23 -1.61 118.68 124.11 2dhj s LEU 47 Ca -0.01 -1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 51.63 2dhj s LEU 47 Cb -0.12 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2dhj s LEU 47 CO 0.02 -0.44 0.35 -0.31 0.23 0.00 0.00 176.35 176.20 2dhj s TYR 48 N 1.43 3.28 0.19 0.29 2.02 0.44 -2.83 117.35 122.18 2dhj s TYR 48 Ca 0.01 0.43 0.05 0.00 -0.37 0.00 0.00 57.07 57.19 2dhj s TYR 48 Cb -0.21 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.79 2dhj s TYR 48 CO 0.03 -0.14 0.24 -0.51 -1.57 0.00 0.00 175.55 173.60 2dhj s LEU 49 N 1.76 4.07 -0.12 -1.29 1.02 -1.26 -0.09 118.68 122.76 2dhj s LEU 49 Ca 0.15 -0.02 -0.10 0.00 0.02 0.00 0.00 54.13 54.18 2dhj s LEU 49 Cb -0.15 -2.64 0.04 0.00 0.02 0.00 0.00 46.19 43.46 2dhj s LEU 49 CO 0.09 0.02 0.32 -0.31 0.02 0.00 0.00 176.35 176.48 2dhj s TYR 50 N -1.87 -0.39 0.23 0.29 2.02 -0.26 -4.81 117.35 112.57 2dhj s TYR 50 Ca 0.33 0.91 -0.14 0.00 -0.37 0.00 0.00 57.07 57.80 2dhj s TYR 50 Cb -0.10 0.13 0.28 0.00 -0.40 0.00 0.00 41.96 41.87 2dhj s TYR 50 CO 0.26 -0.21 1.58 0.87 -1.57 0.00 0.00 175.55 176.49 2dhj h LYS 51 N 6.21 -0.04 -4.62 -0.62 1.79 -1.88 0.03 116.57 117.44 2dhj h LYS 51 Ca -0.31 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 57.92 2dhj h LYS 51 Cb 1.18 0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 31.69 2dhj h LYS 51 CO 0.32 -0.03 -0.64 0.34 -1.08 0.00 0.00 179.45 178.36 2dhj s ASP 52 N -5.24 0.62 -0.31 0.86 2.15 -1.26 -4.27 116.67 109.20 2dhj s ASP 52 Ca -0.14 -1.27 -0.03 0.00 0.43 0.00 0.00 52.55 51.53 2dhj s ASP 52 Cb 0.21 0.25 0.07 0.00 -0.30 0.00 0.00 42.92 43.16 2dhj s ASP 52 CO 0.73 -0.72 2.55 1.17 -0.17 0.00 0.00 175.17 178.73 2dhj n LYS 53 N -0.23 2.03 -3.14 4.34 4.81 -1.26 -4.64 118.16 120.07 2dhj n LYS 53 Ca -0.03 -1.72 -0.45 0.00 -0.87 0.00 0.00 58.31 55.24 2dhj n LYS 53 Cb 0.65 -1.85 -0.01 0.00 0.02 0.00 0.00 35.03 33.84 2dhj n LYS 53 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2dhj s ARG 54 N -1.29 3.88 -1.56 1.64 6.06 -1.26 -4.62 118.95 121.80 2dhj s ARG 54 Ca 0.46 -2.52 -0.03 0.00 -2.50 0.00 0.00 55.73 51.13 2dhj s ARG 54 Cb 0.30 -4.75 0.03 0.00 0.06 0.00 0.00 34.95 30.59 2dhj s ARG 54 CO -0.10 -1.52 0.19 -1.91 -2.50 0.00 0.00 175.30 169.47 2dhj n GLU 55 N 4.70 -1.54 -2.62 5.12 0.00 -1.26 0.09 120.64 125.13 2dhj n GLU 55 Ca 0.25 0.18 -0.13 0.00 0.00 0.00 0.00 57.16 57.46 2dhj n GLU 55 Cb 0.44 -3.98 -0.02 0.00 0.00 0.00 0.00 31.44 27.88 2dhj n GLU 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2dhj n GLN 56 N -4.48 -1.69 -0.08 5.31 3.00 -1.26 -4.65 117.38 113.53 2dhj n GLN 56 Ca -0.26 0.04 -0.06 0.00 -0.01 0.00 0.00 57.00 56.71 2dhj n GLN 56 Cb 0.66 -3.15 -0.14 0.00 0.00 0.00 0.00 30.24 27.62 2dhj n GLN 56 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2dhj n THR 57 N -2.24 1.03 -1.12 5.09 5.66 0.11 -5.02 114.28 117.80 2dhj n THR 57 Ca 0.04 -0.70 -0.37 0.00 -3.05 0.00 0.00 64.05 59.97 2dhj n THR 57 Cb 0.33 -0.45 0.03 0.00 -1.55 0.00 0.00 70.33 68.69 2dhj n THR 57 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2dhj n THR 58 N -2.58 0.16 -0.41 1.09 -2.24 -1.22 -4.96 114.28 104.12 2dhj n THR 58 Ca -0.25 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2dhj n THR 58 Cb 0.99 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.68 -0.71 -1.62 -0.78 -0.04 -1.26 -4.52 135.00 127.75 2dhj n PRO 59 Ca 0.03 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.44 2dhj n PRO 59 Cb 0.52 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.96 2dhj n PRO 59 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dhj n SER 60 N -2.52 -2.94 -0.07 3.54 2.88 -1.26 -3.87 113.62 109.38 2dhj n SER 60 Ca 0.00 0.06 -0.13 0.00 -1.33 0.00 0.00 58.87 57.47 2dhj n SER 60 Cb 0.00 -1.60 -0.06 0.00 -0.75 0.00 0.00 64.21 61.80 2dhj n SER 60 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2dhj h GLU 61 N 0.00 0.56 -1.62 -1.46 5.08 -1.87 -3.10 114.58 112.16 2dhj h GLU 61 Ca -0.12 -0.31 0.50 0.00 -1.00 0.00 0.00 59.36 58.43 2dhj h GLU 61 Cb 0.72 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.89 2dhj h GLU 61 CO 0.15 0.91 1.13 -0.85 -1.00 0.00 0.00 179.01 179.35 2dhj n GLU 62 N -4.36 -0.01 -1.53 2.33 0.00 -1.26 -4.22 120.64 111.58 2dhj n GLU 62 Ca -0.05 1.04 -0.35 0.00 0.00 0.00 0.00 57.16 57.80 2dhj n GLU 62 Cb 0.45 -2.28 -0.08 0.00 0.00 0.00 0.00 31.44 29.53 2dhj n GLU 62 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2dhj n GLU 63 N -4.03 0.63 -1.71 3.44 4.71 -1.17 -4.88 120.64 117.63 2dhj n GLU 63 Ca 0.39 -0.07 -0.38 0.00 -0.01 0.00 0.00 57.16 57.09 2dhj n GLU 63 Cb 1.71 -2.75 0.05 0.00 -1.01 0.00 0.00 31.44 29.44 2dhj n GLU 63 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2dhj n GLN 64 N 8.68 1.32 -2.05 3.49 10.64 -1.26 -4.72 117.38 133.48 2dhj n GLN 64 Ca 0.48 0.50 -0.34 0.00 -1.83 0.00 0.00 57.00 55.81 2dhj n GLN 64 Cb 0.36 -2.45 0.02 0.00 -0.86 0.00 0.00 30.24 27.31 2dhj n GLN 64 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2dhj s PRO 65 N -2.98 3.12 -0.68 2.61 0.04 -1.26 -4.93 135.00 130.93 2dhj s PRO 65 Ca 0.76 1.52 -0.19 0.00 0.04 0.00 0.00 61.00 63.13 2dhj s PRO 65 Cb -0.41 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.27 2dhj s PRO 65 CO 0.46 -1.02 0.80 0.42 0.04 0.00 0.00 177.00 177.70 2dhj s ILE 66 N -2.01 4.87 -0.40 0.56 1.01 -1.13 -4.75 121.20 119.35 2dhj s ILE 66 Ca 0.70 -1.23 -0.33 0.00 0.00 0.00 0.00 60.65 59.80 2dhj s ILE 66 Cb -0.22 -4.55 -0.11 0.00 0.01 0.00 0.00 42.46 37.59 2dhj s ILE 66 CO 0.33 -1.20 2.27 -1.20 0.00 0.00 0.00 174.94 175.14 2dhj n SER 67 N 6.17 2.13 -1.97 3.58 7.64 -1.26 -3.54 113.62 126.37 2dhj n SER 67 Ca -0.01 0.25 -0.12 0.00 1.01 0.00 0.00 58.87 60.00 2dhj n SER 67 Cb 0.44 -1.31 0.25 0.00 -1.01 0.00 0.00 64.21 62.58 2dhj n SER 67 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2dhj n VAL 68 N 7.39 2.99 -0.09 0.44 0.24 0.30 -4.52 118.33 125.08 2dhj n VAL 68 Ca 0.42 -1.85 -0.03 0.00 -2.04 0.00 0.00 64.34 60.84 2dhj n VAL 68 Cb 0.28 -0.39 0.21 0.00 -1.47 0.00 0.00 33.84 32.47 2dhj n VAL 68 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2dhj h ASN 69 N 1.89 0.69 -0.88 -1.34 -1.24 -1.86 -3.26 115.58 109.59 2dhj h ASN 69 Ca 0.39 -0.14 -0.40 0.00 0.71 0.00 0.00 56.30 56.87 2dhj h ASN 69 Cb 2.45 -0.18 -0.41 0.00 0.73 0.00 0.00 38.32 40.91 2dhj h ASN 69 CO 0.83 0.73 -1.03 0.00 -1.29 0.00 0.00 177.43 176.67 2dhj n ALA 70 N -2.47 3.73 -1.98 1.57 0.00 -1.26 -3.93 120.51 116.17 2dhj n ALA 70 Ca 0.03 -3.34 -0.23 0.00 0.00 0.00 0.00 53.44 49.89 2dhj n ALA 70 Cb 0.25 -0.75 0.09 0.00 0.00 0.00 0.00 19.45 19.04 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 -5.07 0.76 -0.05 0.00 1.43 0.11 -4.94 118.68 110.91 2dhj s LEU 72 Ca 0.64 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 53.16 2dhj s LEU 72 Cb -0.07 -0.45 -0.05 0.00 0.03 0.00 0.00 46.19 45.66 2dhj s LEU 72 CO 0.43 -0.28 0.25 -0.63 0.23 0.00 0.00 176.35 176.35 2dhj s ILE 73 N 1.97 5.32 -0.26 -0.59 1.01 -1.26 -1.39 121.20 126.01 2dhj s ILE 73 Ca 0.02 0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 2dhj s ILE 73 Cb -0.15 -3.53 0.10 0.00 0.01 0.00 0.00 42.46 38.89 2dhj s ILE 73 CO -0.07 0.52 0.60 -1.81 0.00 0.00 0.00 174.94 174.18 2dhj s ASP 74 N -1.28 -0.86 -0.93 3.58 1.01 0.13 -4.98 116.67 113.34 2dhj s ASP 74 Ca 0.21 1.38 -0.28 0.00 0.71 0.00 0.00 52.55 54.58 2dhj s ASP 74 Cb -0.14 1.64 -0.21 0.00 1.01 0.00 0.00 42.92 45.22 2dhj s ASP 74 CO 0.10 -0.23 2.59 -0.38 0.21 0.00 0.00 175.17 177.47 2dhj n ILE 75 N 4.89 -0.01 -1.40 0.77 5.41 -1.26 -0.59 119.36 127.17 2dhj n ILE 75 Ca -0.16 -0.18 -0.42 0.00 1.00 0.00 0.00 62.75 62.99 2dhj n ILE 75 Cb 0.53 -0.77 -0.00 0.00 -0.71 0.00 0.00 39.64 38.69 2dhj n ILE 75 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2dhj n SER 76 N 10.79 -1.53 -2.80 4.38 2.88 -1.06 -4.70 113.62 121.59 2dhj n SER 76 Ca 0.62 0.91 -0.31 0.00 -1.33 0.00 0.00 58.87 58.76 2dhj n SER 76 Cb 0.12 -1.02 -0.02 0.00 -0.75 0.00 0.00 64.21 62.54 2dhj n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dhj n TYR 77 N -0.79 -0.30 -1.92 0.66 4.11 -1.26 -4.77 117.16 112.90 2dhj n TYR 77 Ca 0.12 0.62 -0.37 0.00 -0.00 0.00 0.00 57.90 58.27 2dhj n TYR 77 Cb 0.38 -1.25 -0.01 0.00 -0.00 0.00 0.00 39.34 38.46 2dhj n TYR 77 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2dhj n SER 78 N 1.26 7.60 0.00 9.48 2.88 -1.26 -4.04 113.62 129.54 2dhj n SER 78 Ca 0.11 -3.22 0.00 0.00 -1.33 0.00 0.00 58.87 54.44 2dhj n SER 78 Cb 0.16 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 2dhj n SER 78 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2dhj n GLU 79 N 1.32 0.60 -1.68 -1.46 4.07 -1.26 -5.06 120.64 117.17 2dhj n GLU 79 Ca 0.58 0.00 -0.46 0.00 -0.06 0.00 0.00 57.16 57.22 2dhj n GLU 79 Cb 0.32 -0.66 -0.04 0.00 -0.06 0.00 0.00 31.44 31.00 2dhj n GLU 79 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2dhj n THR 80 N -1.42 0.43 -0.21 6.31 5.66 -1.26 -4.80 114.28 118.99 2dhj n THR 80 Ca 0.00 -0.08 0.19 0.00 -3.05 0.00 0.00 64.05 61.11 2dhj n THR 80 Cb 0.16 -1.90 0.35 0.00 -1.55 0.00 0.00 70.33 67.38 2dhj n THR 80 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dhj n LYS 81 N 5.80 -0.04 -0.84 1.09 5.02 -1.26 -4.44 118.16 123.49 2dhj n LYS 81 Ca 0.20 0.92 -0.34 0.00 -2.02 0.00 0.00 58.31 57.07 2dhj n LYS 81 Cb 0.32 -1.61 0.09 0.00 -0.02 0.00 0.00 35.03 33.81 2dhj n LYS 81 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2dhj n ARG 82 N -4.56 -0.72 -4.05 1.97 5.12 -1.26 -5.02 116.66 108.14 2dhj n ARG 82 Ca 0.23 -0.21 -0.13 0.00 -1.93 0.00 0.00 57.85 55.82 2dhj n ARG 82 Cb 0.78 -1.28 -0.12 0.00 -1.16 0.00 0.00 32.46 30.67 2dhj n ARG 82 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2dhj s LYS 83 N -2.61 0.42 -1.26 5.56 -2.85 -1.26 -4.88 119.74 112.86 2dhj s LYS 83 Ca 0.42 -0.53 -0.11 0.00 -1.00 0.00 0.00 55.97 54.75 2dhj s LYS 83 Cb 0.01 -0.22 -0.00 0.00 -2.06 0.00 0.00 37.83 35.56 2dhj s LYS 83 CO 0.62 0.04 0.63 0.09 0.10 0.00 0.00 175.35 176.83 2dhj n ASN 84 N 1.99 -2.87 -4.37 0.03 3.02 -1.26 -3.96 115.26 107.83 2dhj n ASN 84 Ca -0.20 -1.01 -0.33 0.00 -0.03 0.00 0.00 54.58 53.02 2dhj n ASN 84 Cb 0.56 -3.25 -0.14 0.00 -0.61 0.00 0.00 39.78 36.34 2dhj n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2dhj s VAL 85 N -3.69 3.09 -0.07 2.41 1.01 -1.26 -1.16 120.40 120.73 2dhj s VAL 85 Ca 0.24 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2dhj s VAL 85 Cb -0.09 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 2dhj s VAL 85 CO 0.87 0.52 -0.13 0.72 0.00 0.00 0.00 175.10 177.08 2dhj s PHE 86 N 0.46 2.77 -0.09 5.22 -0.71 -0.63 -2.55 117.98 122.45 2dhj s PHE 86 Ca -0.09 -0.25 -0.21 0.00 -1.04 0.00 0.00 56.93 55.34 2dhj s PHE 86 Cb -0.16 -1.70 -0.04 0.00 -1.21 0.00 0.00 43.02 39.92 2dhj s PHE 86 CO 0.04 0.11 0.61 0.50 -1.34 0.00 0.00 175.22 175.15 2dhj s ARG 87 N -0.46 4.40 -0.07 1.99 3.52 0.24 -2.84 118.95 125.73 2dhj s ARG 87 Ca 0.06 0.71 0.04 0.00 -0.13 0.00 0.00 55.73 56.41 2dhj s ARG 87 Cb -0.12 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 2dhj s ARG 87 CO 0.02 0.09 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.25 2dhj s LEU 88 N 0.75 1.90 -0.13 -0.88 0.20 -1.14 0.18 118.68 119.55 2dhj s LEU 88 Ca 0.33 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.74 2dhj s LEU 88 Cb -0.17 -1.11 0.02 0.00 -0.43 0.00 0.00 46.19 44.50 2dhj s LEU 88 CO 0.15 0.12 -0.17 -0.89 -0.29 0.00 0.00 176.35 175.27 2dhj s THR 89 N 0.35 1.73 -0.05 3.68 2.01 -0.49 -2.67 115.64 120.20 2dhj s THR 89 Ca -0.13 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.14 2dhj s THR 89 Cb -0.16 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 2dhj s THR 89 CO 0.05 0.48 -0.15 0.42 -0.69 0.00 0.00 174.62 174.74 2dhj s THR 90 N 1.10 3.01 0.58 -0.82 -4.23 -0.73 0.04 115.64 114.59 2dhj s THR 90 Ca -0.03 -0.74 0.32 0.00 -1.18 0.00 0.00 61.69 60.06 2dhj s THR 90 Cb -0.14 -2.18 0.47 0.00 1.34 0.00 0.00 72.50 71.99 2dhj s THR 90 CO -0.05 0.59 1.33 -0.24 -0.54 0.00 0.00 174.62 175.71 2dhj n SER 91 N 2.35 0.00 0.00 3.99 2.88 -1.26 -1.06 113.62 120.52 2dhj n SER 91 Ca -0.17 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 2dhj n SER 91 Cb 0.52 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2dhj n SER 91 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2dhj n ASP 92 N -3.37 0.00 -3.45 -3.46 -0.08 -1.26 -5.04 116.55 99.89 2dhj n ASP 92 Ca 0.28 0.60 -0.14 0.00 -1.51 0.00 0.00 54.79 54.02 2dhj n ASP 92 Cb 1.63 -0.50 -0.05 0.00 2.34 0.00 0.00 41.12 44.54 2dhj n ASP 92 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dhj s GLU 94 N -3.32 2.92 0.15 0.00 2.02 -1.26 -1.77 118.70 117.44 2dhj s GLU 94 Ca 0.31 -0.90 -0.24 0.00 0.02 0.00 0.00 54.97 54.15 2dhj s GLU 94 Cb 0.00 -2.64 0.07 0.00 0.10 0.00 0.00 34.13 31.67 2dhj s GLU 94 CO 0.18 0.47 1.01 0.00 0.02 0.00 0.00 175.26 176.94 2dhj s LEU 96 N -3.09 2.54 -0.17 0.00 1.43 0.23 -2.91 118.68 116.72 2dhj s LEU 96 Ca 0.15 -1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 51.94 2dhj s LEU 96 Cb -0.01 -0.71 0.07 0.00 0.03 0.00 0.00 46.19 45.57 2dhj s LEU 96 CO 0.03 -0.36 0.37 -0.36 0.23 0.00 0.00 176.35 176.26 2dhj s PHE 97 N -2.93 -0.61 0.12 0.29 0.08 -1.13 -2.41 117.98 111.39 2dhj s PHE 97 Ca 0.32 1.27 0.03 0.00 0.12 0.00 0.00 56.93 58.66 2dhj s PHE 97 Cb 0.05 0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.67 2dhj s PHE 97 CO 0.14 -0.38 0.19 -1.14 -0.10 0.00 0.00 175.22 173.93 2dhj s GLN 98 N 1.99 3.18 0.37 0.44 0.74 -1.17 -1.61 119.66 123.61 2dhj s GLN 98 Ca -0.05 -0.66 0.01 0.00 0.05 0.00 0.00 55.36 54.71 2dhj s GLN 98 Cb -0.10 -2.84 -0.01 0.00 1.10 0.00 0.00 33.01 31.15 2dhj s GLN 98 CO -0.12 0.54 0.05 0.00 -0.55 0.00 0.00 175.29 175.21 2dhj n ALA 99 N -0.15 0.40 -0.04 1.58 0.00 -0.31 -3.71 120.51 118.28 2dhj n ALA 99 Ca -0.07 -1.76 -0.05 0.00 0.00 0.00 0.00 53.44 51.56 2dhj n ALA 99 Cb 0.53 1.06 -0.02 0.00 0.00 0.00 0.00 19.45 21.02 2dhj n ALA 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dhj n GLU 100 N -0.89 0.31 -4.26 0.00 0.00 -1.26 -4.75 120.64 109.78 2dhj n GLU 100 Ca -0.11 0.12 -0.35 0.00 0.00 0.00 0.00 57.16 56.82 2dhj n GLU 100 Cb 0.51 -1.01 -0.09 0.00 0.00 0.00 0.00 31.44 30.85 2dhj n GLU 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2dhj s ASP 101 N -5.61 5.47 0.29 4.31 1.01 -1.26 -4.92 116.67 115.95 2dhj s ASP 101 Ca -0.17 0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.30 2dhj s ASP 101 Cb 0.02 -1.58 0.69 0.00 1.01 0.00 0.00 42.92 43.06 2dhj s ASP 101 CO 0.25 0.37 1.64 -0.09 0.21 0.00 0.00 175.17 177.55 2dhj h ARG 102 N 4.97 0.19 -0.49 8.23 2.43 -1.95 0.29 114.38 128.05 2dhj h ARG 102 Ca -0.51 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.66 2dhj h ARG 102 Cb 1.20 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 2dhj h ARG 102 CO 0.56 0.13 0.31 0.22 -1.51 0.00 0.00 179.97 179.67 2dhj h ASP 103 N 0.20 0.52 -0.23 -3.80 3.58 -2.00 -1.88 116.42 112.82 2dhj h ASP 103 Ca 0.54 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.99 2dhj h ASP 103 Cb 1.09 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 2dhj h ASP 103 CO -0.66 0.38 0.14 0.44 -2.88 0.00 0.00 179.24 176.66 2dhj h ASP 104 N 0.63 0.24 -0.21 2.28 5.19 -0.89 -0.96 116.42 122.70 2dhj h ASP 104 Ca 0.18 -0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.64 2dhj h ASP 104 Cb -0.04 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.37 2dhj h ASP 104 CO -0.06 0.18 -0.07 -0.03 -3.12 0.00 0.00 179.24 176.14 2dhj h MET 105 N 0.29 -0.03 -0.44 3.56 4.05 -0.90 -2.27 114.93 119.19 2dhj h MET 105 Ca 0.08 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.52 2dhj h MET 105 Cb -0.02 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.75 2dhj h MET 105 CO -0.03 -0.02 0.27 -0.07 0.23 0.00 0.00 176.91 177.29 2dhj h LEU 106 N -0.03 0.43 -0.21 3.39 3.38 -1.14 -2.74 115.31 118.39 2dhj h LEU 106 Ca 0.11 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2dhj h LEU 106 Cb 0.19 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2dhj h LEU 106 CO -0.24 0.31 -0.41 0.00 0.09 0.00 0.00 178.44 178.19 2dhj h ALA 107 N 1.19 -0.52 -0.31 1.53 0.00 -0.66 -2.00 119.26 118.49 2dhj h ALA 107 Ca 0.18 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2dhj h ALA 107 Cb 0.00 0.80 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 2dhj h ALA 107 CO -0.08 -0.90 -0.26 -1.49 0.00 0.00 0.00 179.25 176.53 2dhj h TRP 108 N -0.43 -0.68 -0.65 0.00 4.06 -1.25 -1.62 115.95 115.37 2dhj h TRP 108 Ca 0.10 0.04 0.12 0.00 2.06 0.00 0.00 58.89 61.21 2dhj h TRP 108 Cb 0.61 0.35 -0.12 0.00 -1.00 0.00 0.00 29.16 28.99 2dhj h TRP 108 CO -0.52 -0.33 -0.25 0.82 -3.56 0.00 0.00 178.44 174.60 2dhj h ILE 109 N -0.23 0.24 0.00 1.49 2.04 -1.09 -0.06 117.51 119.89 2dhj h ILE 109 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 2dhj h ILE 109 Cb 0.48 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2dhj h ILE 109 CO -0.44 0.00 0.00 1.17 0.00 0.00 0.00 178.15 178.88 2dhj n LYS 110 N -5.45 0.00 -0.36 2.37 4.81 -0.70 0.05 118.16 118.88 2dhj n LYS 110 Ca 0.07 0.52 -0.08 0.00 -0.87 0.00 0.00 58.31 57.95 2dhj n LYS 110 Cb 0.36 -1.48 -0.06 0.00 0.02 0.00 0.00 35.03 33.87 2dhj n LYS 110 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2dhj n THR 111 N -2.02 -0.56 0.25 3.15 -1.04 -0.70 0.00 114.28 113.36 2dhj n THR 111 Ca 0.00 2.09 -0.16 0.00 -2.04 0.00 0.00 64.05 63.94 2dhj n THR 111 Cb 0.00 -2.62 -0.08 0.00 -1.82 0.00 0.00 70.33 65.81 2dhj n THR 111 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2dhj h ILE 112 N 0.00 0.32 -1.01 12.58 2.04 -1.01 -2.28 117.51 128.14 2dhj h ILE 112 Ca 0.17 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.30 2dhj h ILE 112 Cb 0.39 0.32 -0.13 0.00 -0.74 0.00 0.00 36.82 36.66 2dhj h ILE 112 CO -0.83 0.00 0.59 1.56 0.00 0.00 0.00 178.15 179.48 2dhj h GLN 113 N -0.74 0.51 -0.44 2.37 4.20 0.18 0.20 115.11 121.39 2dhj h GLN 113 Ca -0.04 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.66 2dhj h GLN 113 Cb 0.64 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 2dhj h GLN 113 CO -0.01 0.34 0.26 0.93 -0.67 0.00 0.00 178.83 179.68 2dhj h GLU 114 N 0.53 0.51 -0.32 1.46 5.08 0.15 -2.58 114.58 119.40 2dhj h GLU 114 Ca 0.66 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.85 2dhj h GLU 114 Cb 1.33 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2dhj h GLU 114 CO -0.50 0.34 -0.37 0.66 -1.00 0.00 0.00 179.01 178.15 2dhj h SER 115 N 0.53 0.78 -0.12 1.42 4.64 -0.39 -3.14 113.55 117.28 2dhj h SER 115 Ca 0.17 -0.34 -0.12 0.00 -0.47 0.00 0.00 61.79 61.03 2dhj h SER 115 Cb 0.00 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 61.83 2dhj h SER 115 CO -0.08 1.07 -0.05 -1.54 -0.87 0.00 0.00 176.83 175.37 2dhj n SER 116 N -4.05 5.51 -3.54 4.97 3.41 0.02 -4.69 113.62 115.26 2dhj n SER 116 Ca -0.02 -2.55 -0.10 0.00 -0.26 0.00 0.00 58.87 55.94 2dhj n SER 116 Cb 0.51 -1.22 -0.10 0.00 -0.26 0.00 0.00 64.21 63.15 2dhj n SER 116 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2dhj s ASN 117 N 1.69 0.09 0.09 4.04 2.47 -1.19 -4.64 114.94 117.49 2dhj s ASN 117 Ca 0.27 0.60 -0.33 0.00 0.42 0.00 0.00 52.86 53.82 2dhj s ASN 117 Cb 0.15 1.12 -0.15 0.00 -1.45 0.00 0.00 41.25 40.91 2dhj s ASN 117 CO -0.01 -0.26 1.60 -0.07 -3.72 0.00 0.00 177.10 174.64 2dhj h LEU 118 N 8.20 -1.00 -1.33 3.21 3.38 -1.85 -3.46 115.31 122.46 2dhj h LEU 118 Ca -0.17 0.07 -0.55 0.00 0.09 0.00 0.00 57.88 57.32 2dhj h LEU 118 Cb 1.13 0.32 -0.19 0.00 0.09 0.00 0.00 40.66 42.01 2dhj h LEU 118 CO 0.19 -0.56 -0.86 -3.20 0.09 0.00 0.00 178.44 174.10 2dhj n ASN 119 N -5.50 -2.37 -4.38 -0.43 2.85 -1.26 -4.93 115.26 99.24 2dhj n ASN 119 Ca -0.11 -1.04 -0.34 0.00 -0.11 0.00 0.00 54.58 52.98 2dhj n ASN 119 Cb 0.39 -2.66 -0.14 0.00 1.24 0.00 0.00 39.78 38.61 2dhj n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2dhj s SER 120 N -3.57 4.28 0.08 1.20 0.15 -1.26 -4.86 113.70 109.72 2dhj s SER 120 Ca 0.56 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2dhj s SER 120 Cb -0.31 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 2dhj s SER 120 CO 0.93 0.11 0.00 0.61 1.20 0.00 0.00 173.24 176.10 2dhj n GLY 121 N 3.88 -1.58 0.00 9.45 0.00 -1.26 -4.94 105.19 110.73 2dhj n GLY 121 Ca -0.18 0.59 0.06 0.00 0.00 0.00 0.00 46.02 46.48 2dhj n GLY 121 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dhj n PRO 122 N -2.91 0.49 -1.69 1.61 -0.04 -1.26 -4.72 135.00 126.47 2dhj n PRO 122 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2dhj n PRO 122 Cb 0.00 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 2dhj n PRO 122 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dhj s SER 123 N -1.87 4.59 0.15 3.54 0.15 -1.26 -4.84 113.70 114.16 2dhj s SER 123 Ca 0.17 0.73 -0.31 0.00 0.70 0.00 0.00 55.95 57.23 2dhj s SER 123 Cb 0.08 -2.51 -0.08 0.00 -1.71 0.00 0.00 66.02 61.79 2dhj s SER 123 CO 0.13 -2.87 1.53 -1.28 1.20 0.00 0.00 173.24 171.95 2dhj h SER 124 N 17.47 -2.04 -0.00 5.45 0.87 -2.06 -3.54 113.55 129.71 2dhj h SER 124 Ca -0.21 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2dhj h SER 124 Cb 1.20 0.88 0.00 0.00 -0.44 0.00 0.00 62.40 64.05 2dhj h SER 124 CO 1.16 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.79