#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjw s GLN 5 N 0.00 2.23 -0.38 1.96 -0.21 -1.26 -4.97 119.66 117.02 2jjw s GLN 5 Ca 0.00 -0.87 -0.09 0.00 0.02 0.00 0.00 55.36 54.41 2jjw s GLN 5 Cb 0.00 -2.23 0.05 0.00 1.00 0.00 0.00 33.01 31.82 2jjw s GLN 5 CO 0.00 0.57 0.20 -1.64 -2.12 0.00 0.00 175.29 172.30 2jjw s MET 6 N -1.07 2.70 -0.23 2.91 -1.94 -1.26 -1.68 119.30 118.73 2jjw s MET 6 Ca 0.13 -1.22 -0.10 0.00 -1.71 0.00 0.00 55.69 52.79 2jjw s MET 6 Cb -0.10 -3.68 -0.05 0.00 2.01 0.00 0.00 34.83 33.01 2jjw s MET 6 CO 0.03 -0.77 0.14 0.42 -0.01 0.00 0.00 175.02 174.83 2jjw s ILE 7 N 1.48 5.19 -0.40 2.53 1.01 0.76 -4.34 121.20 127.43 2jjw s ILE 7 Ca 0.01 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.81 2jjw s ILE 7 Cb -0.20 -3.41 0.11 0.00 0.01 0.00 0.00 42.46 38.97 2jjw s ILE 7 CO 0.04 0.37 0.15 -1.10 0.00 0.00 0.00 174.94 174.40 2jjw s GLN 8 N 0.97 1.41 0.50 2.79 -0.21 -1.26 -1.00 119.66 122.86 2jjw s GLN 8 Ca 0.07 -1.93 0.19 0.00 0.02 0.00 0.00 55.36 53.70 2jjw s GLN 8 Cb -0.13 -2.82 1.25 0.00 1.00 0.00 0.00 33.01 32.31 2jjw s GLN 8 CO 0.04 -1.04 2.09 -1.00 -2.12 0.00 0.00 175.29 173.25 2jjw h PRO 9 N 7.24 0.00 -4.79 2.91 0.13 -1.97 -3.40 132.00 132.12 2jjw h PRO 9 Ca -0.06 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.40 2jjw h PRO 9 Cb 0.97 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.91 2jjw h PRO 9 CO 0.55 0.09 -0.50 -1.21 -0.23 0.00 0.00 178.00 176.70 2jjw s GLU 10 N -4.72 3.66 0.26 0.86 8.01 -1.26 -4.95 118.70 120.56 2jjw s GLU 10 Ca -0.04 -0.52 0.05 0.00 0.01 0.00 0.00 54.97 54.46 2jjw s GLU 10 Cb 0.16 -3.74 0.34 0.00 -4.31 0.00 0.00 34.13 26.58 2jjw s GLU 10 CO 0.65 -0.34 1.63 0.87 0.01 0.00 0.00 175.26 178.08 2jjw h LYS 11 N 8.44 0.27 -2.54 1.61 1.57 -1.83 -3.39 116.57 120.71 2jjw h LYS 11 Ca -0.33 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.20 2jjw h LYS 11 Cb 1.17 0.01 -0.23 0.00 0.08 0.00 0.00 32.23 33.26 2jjw h LYS 11 CO 0.60 0.71 -0.13 -1.17 -0.57 0.00 0.00 179.45 178.89 2jjw s LEU 12 N -8.14 0.10 -0.10 2.94 0.20 -1.26 -0.02 118.68 112.39 2jjw s LEU 12 Ca -0.05 0.97 0.03 0.00 0.69 0.00 0.00 54.13 55.78 2jjw s LEU 12 Cb 0.13 1.71 0.00 0.00 -0.43 0.00 0.00 46.19 47.60 2jjw s LEU 12 CO 0.79 -0.19 -0.22 -0.76 -0.29 0.00 0.00 176.35 175.68 2jjw s LEU 13 N 0.19 2.03 -0.35 -0.68 1.43 0.56 -4.92 118.68 116.95 2jjw s LEU 13 Ca -0.01 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.43 2jjw s LEU 13 Cb -0.03 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 2jjw s LEU 13 CO 0.01 0.13 0.24 -0.22 0.23 0.00 0.00 176.35 176.74 2jjw s LEU 14 N 0.49 4.57 0.36 1.79 2.96 -1.26 -0.39 118.68 127.20 2jjw s LEU 14 Ca -0.16 -0.51 0.08 0.00 -0.22 0.00 0.00 54.13 53.33 2jjw s LEU 14 Cb -0.17 -2.13 -0.07 0.00 0.50 0.00 0.00 46.19 44.32 2jjw s LEU 14 CO 0.06 -0.26 -0.05 0.68 -1.32 0.00 0.00 176.35 175.46 2jjw s VAL 15 N 1.70 2.07 0.30 1.68 -7.23 -0.04 -4.89 120.40 114.00 2jjw s VAL 15 Ca 0.06 -2.12 0.11 0.00 -1.81 0.00 0.00 61.98 58.22 2jjw s VAL 15 Cb -0.18 -2.76 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 2jjw s VAL 15 CO 0.10 -0.13 -0.16 0.42 -0.31 0.00 0.00 175.10 175.01 2jjw s THR 16 N -2.70 2.38 0.32 5.32 -4.23 -1.26 -0.21 115.64 115.26 2jjw s THR 16 Ca 0.33 -2.34 -0.29 0.00 -1.18 0.00 0.00 61.69 58.21 2jjw s THR 16 Cb 0.05 -2.41 -0.11 0.00 1.34 0.00 0.00 72.50 71.38 2jjw s THR 16 CO 0.17 -0.34 1.48 -0.69 -0.54 0.00 0.00 174.62 174.70 2jjw s VAL 17 N -2.56 2.28 0.00 2.29 1.01 -1.26 -2.26 120.40 119.90 2jjw s VAL 17 Ca 0.31 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2jjw s VAL 17 Cb -0.02 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2jjw s VAL 17 CO 0.15 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2jjw n GLY 18 N 1.42 2.91 3.85 4.51 0.00 -0.31 -4.94 105.19 112.62 2jjw n GLY 18 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2jjw n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jjw s LYS 19 N -0.77 2.99 -0.22 1.61 -0.14 -0.96 -4.16 119.74 118.10 2jjw s LYS 19 Ca 0.00 0.68 -0.12 0.00 -1.36 0.00 0.00 55.97 55.16 2jjw s LYS 19 Cb 0.00 -2.02 -0.05 0.00 -1.68 0.00 0.00 37.83 34.09 2jjw s LYS 19 CO 0.00 -0.99 0.23 0.99 -0.76 0.00 0.00 175.35 174.82 2jjw s THR 20 N -3.21 5.32 -0.09 2.17 2.01 -1.26 -1.31 115.64 119.27 2jjw s THR 20 Ca 0.58 0.35 -0.03 0.00 0.31 0.00 0.00 61.69 62.90 2jjw s THR 20 Cb -0.12 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 2jjw s THR 20 CO 0.53 0.34 0.03 0.00 -0.69 0.00 0.00 174.62 174.83 2jjw s ALA 21 N 0.97 3.39 -0.22 7.40 0.00 -0.10 -4.92 121.76 128.29 2jjw s ALA 21 Ca 0.11 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 2jjw s ALA 21 Cb -0.13 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 2jjw s ALA 21 CO 0.04 0.60 0.00 0.99 0.00 0.00 0.00 175.76 177.39 2jjw s THR 22 N -0.92 3.84 -0.35 0.00 2.01 -1.26 -0.63 115.64 118.33 2jjw s THR 22 Ca 0.14 -0.34 -0.11 0.00 0.31 0.00 0.00 61.69 61.69 2jjw s THR 22 Cb -0.11 -2.76 0.01 0.00 0.01 0.00 0.00 72.50 69.64 2jjw s THR 22 CO 0.03 0.40 0.20 -0.76 -0.69 0.00 0.00 174.62 173.80 2jjw s LEU 23 N 1.35 4.52 0.02 4.42 1.43 0.37 -4.98 118.68 125.81 2jjw s LEU 23 Ca 0.04 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.25 2jjw s LEU 23 Cb -0.15 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 2jjw s LEU 23 CO 0.01 -0.30 0.48 -1.00 0.23 0.00 0.00 176.35 175.76 2jjw s HIS 24 N 1.62 3.74 -0.18 0.29 3.76 -1.26 -1.51 115.29 121.74 2jjw s HIS 24 Ca 0.04 1.09 -0.12 0.00 -0.15 0.00 0.00 55.06 55.92 2jjw s HIS 24 Cb -0.18 -2.39 0.06 0.00 1.11 0.00 0.00 32.58 31.17 2jjw s HIS 24 CO 0.07 0.58 0.45 0.00 -0.85 0.00 0.00 174.74 175.00 2jjw s THR 26 N 1.09 1.30 -0.02 0.00 2.01 -0.17 -0.25 115.64 119.60 2jjw s THR 26 Ca -0.07 -1.09 -0.02 0.00 0.31 0.00 0.00 61.69 60.82 2jjw s THR 26 Cb -0.07 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 2jjw s THR 26 CO -0.10 0.05 0.12 0.68 -0.69 0.00 0.00 174.62 174.69 2jjw s VAL 27 N -0.86 5.05 -2.51 3.82 -7.23 -0.26 -0.17 120.40 118.23 2jjw s VAL 27 Ca 0.03 -0.25 0.26 0.00 -1.81 0.00 0.00 61.98 60.21 2jjw s VAL 27 Cb -0.08 -3.31 0.31 0.00 0.56 0.00 0.00 36.38 33.85 2jjw s VAL 27 CO 0.02 0.38 1.46 0.35 -0.31 0.00 0.00 175.10 176.99 2jjw n THR 28 N 1.21 0.00 -3.75 5.32 -2.24 -0.68 -4.84 114.28 109.30 2jjw n THR 28 Ca -0.13 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 2jjw n THR 28 Cb 0.53 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.60 2jjw n THR 28 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2jjw s SER 29 N -2.14 -0.33 0.00 3.42 0.15 -1.26 -4.87 113.70 108.68 2jjw s SER 29 Ca 0.30 0.55 0.26 0.00 0.70 0.00 0.00 55.95 57.76 2jjw s SER 29 Cb 0.20 0.62 0.66 0.00 -1.71 0.00 0.00 66.02 65.79 2jjw s SER 29 CO 0.38 -0.22 1.52 0.18 1.20 0.00 0.00 173.24 176.31 2jjw n LEU 30 N 2.43 0.42 -4.25 3.45 4.77 -1.26 -4.83 117.00 117.74 2jjw n LEU 30 Ca -0.15 0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.66 2jjw n LEU 30 Cb 0.57 -0.29 -0.14 0.00 -2.33 0.00 0.00 43.42 41.22 2jjw n LEU 30 CO 0.17 0.10 -0.52 -1.48 -1.33 0.00 0.00 177.39 174.33 2jjw s LEU 31 N -2.98 2.14 0.85 2.23 2.34 -1.26 -4.42 118.68 117.58 2jjw s LEU 31 Ca 0.12 -0.49 -0.11 0.00 0.06 0.00 0.00 54.13 53.70 2jjw s LEU 31 Cb 0.18 -1.00 0.10 0.00 -0.56 0.00 0.00 46.19 44.92 2jjw s LEU 31 CO 0.66 0.18 1.09 -2.16 -1.06 0.00 0.00 176.35 175.06 2jjw s PRO 32 N -1.05 1.61 0.18 1.48 0.04 -1.26 -4.78 135.00 131.23 2jjw s PRO 32 Ca 0.08 0.75 -0.30 0.00 0.04 0.00 0.00 61.00 61.56 2jjw s PRO 32 Cb -0.09 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2jjw s PRO 32 CO 0.01 -1.98 1.13 0.08 0.04 0.00 0.00 177.00 176.29 2jjw s VAL 33 N -3.03 3.78 0.00 -0.36 1.01 -1.26 -5.00 120.40 115.54 2jjw s VAL 33 Ca 0.62 1.52 0.00 0.00 0.00 0.00 0.00 61.98 64.13 2jjw s VAL 33 Cb -0.16 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2jjw s VAL 33 CO 0.56 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.52 2jjw n GLY 34 N 2.10 2.50 3.86 4.51 0.00 -1.25 -3.58 105.19 113.32 2jjw n GLY 34 Ca 0.03 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 2jjw n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jjw s PRO 35 N -2.00 3.54 -0.17 1.61 0.04 -1.25 -4.73 135.00 132.04 2jjw s PRO 35 Ca 0.00 0.82 -0.04 0.00 0.04 0.00 0.00 61.00 61.82 2jjw s PRO 35 Cb 0.00 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2jjw s PRO 35 CO 0.00 -0.61 -0.04 0.08 0.04 0.00 0.00 177.00 176.47 2jjw s VAL 36 N -3.06 3.76 0.19 -0.36 1.01 -1.26 -1.09 120.40 119.59 2jjw s VAL 36 Ca 0.56 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.24 2jjw s VAL 36 Cb -0.11 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2jjw s VAL 36 CO 0.51 0.47 -0.10 -0.76 0.00 0.00 0.00 175.10 175.22 2jjw s LEU 37 N 0.67 2.96 -0.10 3.92 1.02 0.49 -4.28 118.68 123.36 2jjw s LEU 37 Ca -0.02 -0.62 -0.01 0.00 0.02 0.00 0.00 54.13 53.50 2jjw s LEU 37 Cb -0.14 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.42 2jjw s LEU 37 CO 0.02 0.09 -0.06 0.26 0.02 0.00 0.00 176.35 176.69 2jjw s TRP 38 N -1.80 2.98 0.11 0.29 0.52 -0.39 -0.30 118.94 120.35 2jjw s TRP 38 Ca 0.26 -0.11 0.06 0.00 0.02 0.00 0.00 56.10 56.32 2jjw s TRP 38 Cb -0.08 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.39 2jjw s TRP 38 CO 0.15 0.19 -0.14 -0.06 0.02 0.00 0.00 176.95 177.12 2jjw s PHE 39 N -0.36 1.36 -0.24 -1.98 0.08 -0.39 -0.16 117.98 116.29 2jjw s PHE 39 Ca 0.05 -0.55 -0.07 0.00 0.12 0.00 0.00 56.93 56.48 2jjw s PHE 39 Cb -0.12 -0.72 -0.03 0.00 -0.57 0.00 0.00 43.02 41.58 2jjw s PHE 39 CO 0.02 0.12 0.06 0.50 -0.10 0.00 0.00 175.22 175.82 2jjw s ARG 40 N -2.59 3.64 0.00 0.44 3.52 0.26 -0.60 118.95 123.63 2jjw s ARG 40 Ca 0.08 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 2jjw s ARG 40 Cb -0.05 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 2jjw s ARG 40 CO 0.03 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.75 2jjw n GLY 41 N 4.87 -0.54 3.51 8.12 0.00 0.09 -1.62 105.19 119.62 2jjw n GLY 41 Ca -0.16 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 2jjw n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jjw s VAL 42 N -1.57 1.53 0.04 1.61 -7.23 -1.26 -4.76 120.40 108.76 2jjw s VAL 42 Ca 0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2jjw s VAL 42 Cb 0.00 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 34.09 2jjw s VAL 42 CO 0.00 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 2jjw n GLY 43 N -0.79 -1.47 0.34 2.32 0.00 -1.26 -4.03 105.19 100.29 2jjw n GLY 43 Ca -0.03 -1.49 0.14 0.00 0.00 0.00 0.00 46.02 44.64 2jjw n GLY 43 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jjw h PRO 44 N -0.16 0.08 0.00 1.61 0.11 -2.03 -1.54 132.00 130.06 2jjw h PRO 44 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2jjw h PRO 44 Cb 0.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.25 2jjw h PRO 44 CO 0.00 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.25 2jjw n GLY 45 N -1.58 -0.98 3.77 -0.55 0.00 -1.26 -4.93 105.19 99.64 2jjw n GLY 45 Ca 0.05 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2jjw n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jjw s ARG 46 N -2.00 3.14 -0.22 1.61 1.70 -0.58 -4.99 118.95 117.61 2jjw s ARG 46 Ca 0.35 1.67 -0.10 0.00 -0.47 0.00 0.00 55.73 57.19 2jjw s ARG 46 Cb 0.16 -1.97 -0.05 0.00 -0.57 0.00 0.00 34.95 32.52 2jjw s ARG 46 CO 0.27 -1.03 0.13 -2.00 -1.08 0.00 0.00 175.30 171.58 2jjw s GLU 47 N -3.39 4.06 0.03 3.89 2.12 -0.64 -4.93 118.70 119.84 2jjw s GLU 47 Ca 0.74 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.48 2jjw s GLU 47 Cb -0.26 -3.43 -0.07 0.00 0.26 0.00 0.00 34.13 30.63 2jjw s GLU 47 CO 0.31 0.15 1.62 -1.17 -0.54 0.00 0.00 175.26 175.63 2jjw s LEU 48 N 0.77 4.35 -0.20 2.70 2.96 -1.26 -0.57 118.68 127.42 2jjw s LEU 48 Ca 0.07 2.37 0.07 0.00 -0.22 0.00 0.00 54.13 56.41 2jjw s LEU 48 Cb -0.13 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 42.84 2jjw s LEU 48 CO 0.02 -0.87 -0.10 -0.38 -1.32 0.00 0.00 176.35 173.69 2jjw n ILE 49 N 4.92 1.24 -3.63 6.68 2.08 0.77 -4.92 119.36 126.50 2jjw n ILE 49 Ca 0.16 -0.58 -0.15 0.00 0.56 0.00 0.00 62.75 62.74 2jjw n ILE 49 Cb 0.42 -1.01 -0.07 0.00 -0.75 0.00 0.00 39.64 38.22 2jjw n ILE 49 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 2jjw s TYR 50 N -2.43 -0.63 -0.13 1.39 5.04 -1.05 -4.92 117.35 114.61 2jjw s TYR 50 Ca -0.22 1.37 -0.04 0.00 -2.44 0.00 0.00 57.07 55.74 2jjw s TYR 50 Cb 0.07 0.28 0.06 0.00 0.35 0.00 0.00 41.96 42.71 2jjw s TYR 50 CO 0.58 -0.42 0.16 1.21 -1.34 0.00 0.00 175.55 175.75 2jjw s ASN 51 N -0.30 1.17 0.03 4.32 3.84 -1.26 -1.26 114.94 121.48 2jjw s ASN 51 Ca -0.05 0.04 -0.28 0.00 0.21 0.00 0.00 52.86 52.78 2jjw s ASN 51 Cb -0.03 0.22 -0.17 0.00 -0.55 0.00 0.00 41.25 40.72 2jjw s ASN 51 CO 0.04 -0.28 1.36 0.06 -2.79 0.00 0.00 177.10 175.48 2jjw h GLN 52 N 8.36 -0.69 -0.34 0.43 3.07 -1.96 -3.25 115.11 120.73 2jjw h GLN 52 Ca -0.14 0.05 0.03 0.00 0.09 0.00 0.00 58.65 58.67 2jjw h GLN 52 Cb 1.13 0.16 -0.04 0.00 0.08 0.00 0.00 27.48 28.81 2jjw h GLN 52 CO 0.20 -0.39 -0.20 1.17 0.09 0.00 0.00 178.83 179.70 2jjw n LYS 53 N -5.32 -0.15 -3.71 0.06 4.81 -1.26 -4.75 118.16 107.84 2jjw n LYS 53 Ca -0.12 0.71 -0.07 0.00 -0.87 0.00 0.00 58.31 57.97 2jjw n LYS 53 Cb 0.32 -1.06 -0.02 0.00 0.02 0.00 0.00 35.03 34.30 2jjw n LYS 53 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2jjw s GLU 54 N -4.41 1.38 0.00 1.64 1.03 -1.23 -5.17 118.70 111.94 2jjw s GLU 54 Ca -0.04 -0.70 0.00 0.00 0.03 0.00 0.00 54.97 54.26 2jjw s GLU 54 Cb 0.04 0.51 0.00 0.00 -0.80 0.00 0.00 34.13 33.87 2jjw s GLU 54 CO 0.21 -0.62 0.00 0.41 -1.33 0.00 0.00 175.26 173.93 2jjw n GLY 55 N -0.42 2.26 3.26 -3.83 0.00 -1.26 -4.52 105.19 100.68 2jjw n GLY 55 Ca -0.07 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 2jjw n GLY 55 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jjw s HIS 56 N -2.38 2.90 -0.57 1.61 2.46 -1.26 -4.96 115.29 113.08 2jjw s HIS 56 Ca 0.00 -1.13 0.06 0.00 0.47 0.00 0.00 55.06 54.46 2jjw s HIS 56 Cb 0.00 -2.04 0.21 0.00 -0.13 0.00 0.00 32.58 30.62 2jjw s HIS 56 CO 0.00 -0.61 0.56 1.19 -2.47 0.00 0.00 174.74 173.42 2jjw n PHE 57 N 4.68 1.99 0.20 3.88 3.72 -1.26 -4.99 117.46 125.69 2jjw n PHE 57 Ca -0.19 -3.95 0.16 0.00 -0.05 0.00 0.00 57.45 53.42 2jjw n PHE 57 Cb 0.51 -0.40 0.80 0.00 -0.94 0.00 0.00 39.48 39.45 2jjw n PHE 57 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2jjw h PRO 58 N 4.75 0.00 -0.00 -1.08 0.13 -1.96 -0.58 132.00 133.25 2jjw h PRO 58 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2jjw h PRO 58 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2jjw h PRO 58 CO 0.65 0.00 -0.13 0.54 -0.23 0.00 0.00 178.00 178.83 2jjw n ARG 59 N -3.97 0.66 -4.99 0.86 1.74 -1.26 -4.87 116.66 104.83 2jjw n ARG 59 Ca 0.01 -0.24 -0.32 0.00 -0.77 0.00 0.00 57.85 56.53 2jjw n ARG 59 Cb 0.29 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.08 2jjw n ARG 59 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jjw s VAL 60 N -2.51 2.64 0.13 1.55 1.01 -0.23 -1.42 120.40 121.58 2jjw s VAL 60 Ca 0.28 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2jjw s VAL 60 Cb 0.20 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2jjw s VAL 60 CO 0.49 0.55 -0.13 0.42 0.00 0.00 0.00 175.10 176.42 2jjw s THR 61 N 0.06 1.31 -0.04 3.92 -4.23 -0.73 -4.88 115.64 111.06 2jjw s THR 61 Ca -0.07 -1.77 -0.10 0.00 -1.18 0.00 0.00 61.69 58.57 2jjw s THR 61 Cb -0.15 -1.57 -0.05 0.00 1.34 0.00 0.00 72.50 72.07 2jjw s THR 61 CO 0.05 -0.46 0.29 0.42 -0.54 0.00 0.00 174.62 174.37 2jjw s THR 62 N -2.30 5.25 0.10 3.99 -4.23 -1.26 -0.33 115.64 116.86 2jjw s THR 62 Ca 0.10 0.47 -0.17 0.00 -1.18 0.00 0.00 61.69 60.91 2jjw s THR 62 Cb -0.04 -3.57 -0.05 0.00 1.34 0.00 0.00 72.50 70.18 2jjw s THR 62 CO 0.03 0.54 1.55 0.58 -0.54 0.00 0.00 174.62 176.78 2jjw h VAL 63 N 3.64 1.26 -1.49 2.29 2.07 -1.66 -3.45 116.25 118.91 2jjw h VAL 63 Ca -0.52 -0.94 -0.52 0.00 0.82 0.00 0.00 66.70 65.54 2jjw h VAL 63 Cb 1.22 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 2jjw h VAL 63 CO 0.61 0.31 -0.41 -0.44 0.02 0.00 0.00 177.57 177.66 2jjw s SER 64 N -6.06 4.85 -0.64 0.57 0.01 -1.26 -5.07 113.70 106.11 2jjw s SER 64 Ca -0.13 -0.87 -0.25 0.00 1.31 0.00 0.00 55.95 56.01 2jjw s SER 64 Cb 0.09 -0.49 0.04 0.00 0.21 0.00 0.00 66.02 65.87 2jjw s SER 64 CO 0.77 -0.65 1.08 -0.62 0.41 0.00 0.00 173.24 174.24 2jjw s ASP 65 N -4.07 6.27 0.37 2.44 -1.08 -1.26 -4.90 116.67 114.43 2jjw s ASP 65 Ca 0.45 -0.46 0.27 0.00 -0.52 0.00 0.00 52.55 52.29 2jjw s ASP 65 Cb -0.01 -2.49 1.23 0.00 -1.46 0.00 0.00 42.92 40.20 2jjw s ASP 65 CO 0.26 -1.50 1.81 -0.07 0.52 0.00 0.00 175.17 176.20 2jjw h LEU 66 N 11.80 0.00 -0.36 -1.34 4.07 -1.96 -2.20 115.31 125.31 2jjw h LEU 66 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2jjw h LEU 66 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 2jjw h LEU 66 CO 1.18 0.00 -0.02 0.35 -1.08 0.00 0.00 178.44 178.88 2jjw n THR 67 N -2.48 0.00 -2.52 0.22 -2.24 -1.26 -4.83 114.28 101.17 2jjw n THR 67 Ca 0.01 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 2jjw n THR 67 Cb 0.19 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 2jjw n THR 67 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2jjw s LYS 68 N -2.08 4.51 0.20 -0.78 1.02 -0.83 -4.95 119.74 116.83 2jjw s LYS 68 Ca 0.41 1.66 -0.17 0.00 0.02 0.00 0.00 55.97 57.89 2jjw s LYS 68 Cb 0.21 -3.36 0.19 0.00 -0.52 0.00 0.00 37.83 34.36 2jjw s LYS 68 CO 0.38 -0.12 1.60 -0.09 -0.92 0.00 0.00 175.35 176.20 2jjw h ARG 69 N 6.39 -0.08 -0.73 1.68 2.43 -1.90 -1.10 114.38 121.06 2jjw h ARG 69 Ca -0.42 0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.54 2jjw h ARG 69 Cb 1.21 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.66 2jjw h ARG 69 CO 0.77 -0.06 0.27 0.09 -1.51 0.00 0.00 179.97 179.53 2jjw n ASN 70 N -5.45 4.83 -4.74 -3.80 3.02 -1.26 -4.97 115.26 102.90 2jjw n ASN 70 Ca 0.06 -3.23 -0.41 0.00 -0.03 0.00 0.00 54.58 50.97 2jjw n ASN 70 Cb 0.35 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 2jjw n ASN 70 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2jjw s ASN 71 N -1.07 6.69 0.00 6.41 2.47 -0.42 -4.90 114.94 124.12 2jjw s ASN 71 Ca 0.55 2.60 0.00 0.00 0.42 0.00 0.00 52.86 56.43 2jjw s ASN 71 Cb 0.44 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.63 2jjw s ASN 71 CO 0.13 -0.69 0.51 0.23 -3.72 0.00 0.00 177.10 173.56 2jjw n MET 72 N 2.71 0.28 -3.49 0.43 2.81 -1.26 -4.97 117.12 113.64 2jjw n MET 72 Ca 0.08 -0.63 -0.42 0.00 -1.81 0.00 0.00 57.70 54.93 2jjw n MET 72 Cb 0.40 -0.83 -0.10 0.00 -0.71 0.00 0.00 33.22 31.98 2jjw n MET 72 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2jjw s ASP 73 N -0.24 6.09 -0.20 7.83 2.15 -1.26 -1.11 116.67 129.94 2jjw s ASP 73 Ca 0.00 -0.64 0.16 0.00 0.43 0.00 0.00 52.55 52.50 2jjw s ASP 73 Cb 0.00 -2.15 0.57 0.00 -0.30 0.00 0.00 42.92 41.03 2jjw s ASP 73 CO 0.00 -0.35 1.47 0.49 -0.17 0.00 0.00 175.17 176.62 2jjw n PHE 74 N 5.16 1.13 -2.04 -5.34 3.72 0.66 -4.59 117.46 116.16 2jjw n PHE 74 Ca -0.12 -0.93 -0.40 0.00 -0.05 0.00 0.00 57.45 55.96 2jjw n PHE 74 Cb 0.48 -0.36 -0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2jjw n PHE 74 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2jjw s SER 75 N -1.84 6.31 0.09 4.37 0.01 -1.13 -4.56 113.70 116.96 2jjw s SER 75 Ca 0.44 2.68 0.05 0.00 1.31 0.00 0.00 55.95 60.43 2jjw s SER 75 Cb 0.36 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 2jjw s SER 75 CO 0.09 -0.85 -0.14 0.27 0.41 0.00 0.00 173.24 173.02 2jjw s ILE 76 N -1.25 1.17 -0.16 1.44 -4.36 -0.57 -1.63 121.20 115.84 2jjw s ILE 76 Ca 0.57 -1.50 -0.03 0.00 -0.26 0.00 0.00 60.65 59.43 2jjw s ILE 76 Cb -0.39 -1.28 -0.02 0.00 1.25 0.00 0.00 42.46 42.03 2jjw s ILE 76 CO 0.50 -0.34 -0.06 -0.13 0.24 0.00 0.00 174.94 175.15 2jjw s ARG 77 N -2.22 3.53 -0.23 0.37 0.52 0.55 -0.48 118.95 120.99 2jjw s ARG 77 Ca 0.03 -0.59 -0.03 0.00 -0.52 0.00 0.00 55.73 54.62 2jjw s ARG 77 Cb -0.07 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.54 2jjw s ARG 77 CO 0.02 0.14 -0.05 0.42 0.02 0.00 0.00 175.30 175.86 2jjw s ILE 78 N 0.60 3.25 0.46 1.52 1.01 0.19 -1.77 121.20 126.48 2jjw s ILE 78 Ca -0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 2jjw s ILE 78 Cb -0.15 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 2jjw s ILE 78 CO 0.03 0.36 0.74 -0.94 0.00 0.00 0.00 174.94 175.13 2jjw s SER 79 N 1.44 6.18 -1.20 3.58 1.04 -0.50 -0.93 113.70 123.31 2jjw s SER 79 Ca 0.05 0.76 -0.01 0.00 0.48 0.00 0.00 55.95 57.23 2jjw s SER 79 Cb -0.15 -2.10 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 2jjw s SER 79 CO -0.04 -0.57 0.94 -1.20 0.98 0.00 0.00 173.24 173.34 2jjw n SER 80 N -2.18 -2.47 -4.75 7.02 7.64 -1.07 -4.91 113.62 112.90 2jjw n SER 80 Ca -0.00 -0.67 -0.41 0.00 1.01 0.00 0.00 58.87 58.79 2jjw n SER 80 Cb 0.56 -4.93 -0.02 0.00 -1.01 0.00 0.00 64.21 58.81 2jjw n SER 80 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2jjw s ILE 81 N -3.42 2.40 0.38 0.44 -1.09 -0.43 -4.68 121.20 114.81 2jjw s ILE 81 Ca 0.06 0.34 0.05 0.00 -2.23 0.00 0.00 60.65 58.86 2jjw s ILE 81 Cb -0.01 -3.21 -0.06 0.00 -1.58 0.00 0.00 42.46 37.59 2jjw s ILE 81 CO 0.75 0.05 0.04 0.42 -1.23 0.00 0.00 174.94 174.97 2jjw s THR 82 N 0.02 1.44 0.63 2.92 -4.23 -1.26 -1.17 115.64 113.99 2jjw s THR 82 Ca 0.61 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.45 2jjw s THR 82 Cb -0.44 -2.79 0.36 0.00 1.34 0.00 0.00 72.50 70.97 2jjw s THR 82 CO 0.45 0.00 2.09 -0.65 -0.54 0.00 0.00 174.62 175.97 2jjw h PRO 83 N 1.91 0.00 0.00 3.99 0.11 -1.98 -0.07 132.00 135.96 2jjw h PRO 83 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2jjw h PRO 83 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2jjw h PRO 83 CO 0.73 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.52 2jjw h ALA 84 N 1.67 1.00 -0.01 -0.75 0.00 -1.99 -3.00 119.26 116.18 2jjw h ALA 84 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jjw h ALA 84 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jjw h ALA 84 CO -0.00 0.00 -0.26 -0.25 0.00 0.00 0.00 179.25 178.74 2jjw n ASP 85 N -2.57 1.09 -4.76 0.00 8.00 -0.04 -4.93 116.55 113.34 2jjw n ASP 85 Ca -0.00 -0.94 -0.39 0.00 0.71 0.00 0.00 54.79 54.16 2jjw n ASP 85 Cb 0.16 0.14 0.02 0.00 -0.02 0.00 0.00 41.12 41.42 2jjw n ASP 85 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2jjw s VAL 86 N -2.48 2.27 0.00 2.53 -7.23 -1.13 -4.83 120.40 109.53 2jjw s VAL 86 Ca 0.25 0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 2jjw s VAL 86 Cb 0.19 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 34.01 2jjw s VAL 86 CO 0.51 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 2jjw n GLY 87 N 0.63 -0.28 3.57 2.32 0.00 -0.95 -4.99 105.19 105.49 2jjw n GLY 87 Ca 0.07 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 2jjw n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jjw s THR 88 N -1.69 4.72 -0.19 2.61 2.01 -1.26 0.45 115.64 122.27 2jjw s THR 88 Ca 0.00 -0.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.88 2jjw s THR 88 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2jjw s THR 88 CO 0.00 0.40 0.07 -0.31 -0.69 0.00 0.00 174.62 174.09 2jjw s TYR 89 N 0.92 3.24 -0.11 4.92 2.02 0.02 -0.73 117.35 127.63 2jjw s TYR 89 Ca 0.04 0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 2jjw s TYR 89 Cb -0.14 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.31 2jjw s TYR 89 CO 0.03 0.10 -0.19 0.71 -1.57 0.00 0.00 175.55 174.63 2jjw s TYR 90 N 0.53 2.66 -0.25 2.71 2.02 0.24 -0.91 117.35 124.35 2jjw s TYR 90 Ca 0.04 -0.80 -0.13 0.00 -0.37 0.00 0.00 57.07 55.81 2jjw s TYR 90 Cb -0.13 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 2jjw s TYR 90 CO 0.01 -0.28 0.27 0.00 -1.57 0.00 0.00 175.55 173.98 2jjw s VAL 92 N 1.61 1.15 -0.06 0.00 1.01 0.58 -0.59 120.40 124.10 2jjw s VAL 92 Ca 0.11 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 2jjw s VAL 92 Cb -0.15 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2jjw s VAL 92 CO 0.09 0.37 0.60 -0.75 0.00 0.00 0.00 175.10 175.40 2jjw s LYS 93 N 1.05 4.36 0.22 2.72 2.47 0.03 -0.38 119.74 130.22 2jjw s LYS 93 Ca -0.07 0.70 0.07 0.00 -1.56 0.00 0.00 55.97 55.11 2jjw s LYS 93 Cb -0.15 -3.41 -0.04 0.00 -1.46 0.00 0.00 37.83 32.78 2jjw s LYS 93 CO -0.01 0.20 0.09 -0.06 0.16 0.00 0.00 175.35 175.73 2jjw s PHE 94 N 0.39 2.96 0.17 4.03 0.08 -0.25 -0.10 117.98 125.25 2jjw s PHE 94 Ca 0.32 -0.13 0.06 0.00 0.12 0.00 0.00 56.93 57.30 2jjw s PHE 94 Cb -0.17 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 2jjw s PHE 94 CO 0.15 0.55 0.11 -0.98 -0.10 0.00 0.00 175.22 174.95 2jjw s ARG 95 N -3.48 2.78 -0.35 0.44 1.70 0.13 -3.85 118.95 116.32 2jjw s ARG 95 Ca 0.31 -0.93 -0.18 0.00 -0.47 0.00 0.00 55.73 54.46 2jjw s ARG 95 Cb -0.08 -2.58 -0.00 0.00 -0.57 0.00 0.00 34.95 31.72 2jjw s ARG 95 CO 0.22 0.48 0.50 0.15 -1.08 0.00 0.00 175.30 175.57 2jjw s LYS 96 N -3.08 3.61 0.15 3.89 -0.14 -1.23 -0.77 119.74 122.17 2jjw s LYS 96 Ca 0.30 -0.19 0.11 0.00 -1.36 0.00 0.00 55.97 54.84 2jjw s LYS 96 Cb -0.10 -3.81 -0.04 0.00 -1.68 0.00 0.00 37.83 32.20 2jjw s LYS 96 CO 0.22 -0.64 -0.25 -0.80 -0.76 0.00 0.00 175.35 173.13 2jjw s ASN 101 N 1.76 3.44 0.00 2.83 0.01 -1.26 -5.13 114.94 116.59 2jjw s ASN 101 Ca 0.18 -0.77 0.06 0.00 -0.71 0.00 0.00 52.86 51.62 2jjw s ASN 101 Cb -0.16 -0.28 -0.02 0.00 0.41 0.00 0.00 41.25 41.21 2jjw s ASN 101 CO 0.13 0.16 -0.19 0.54 -1.51 0.00 0.00 177.10 176.23 2jjw s VAL 102 N -1.30 1.52 0.21 1.60 0.11 0.05 -5.11 120.40 117.48 2jjw s VAL 102 Ca 0.17 -0.90 -0.31 0.00 -2.93 0.00 0.00 61.98 58.01 2jjw s VAL 102 Cb -0.09 -1.28 -0.11 0.00 -1.53 0.00 0.00 36.38 33.37 2jjw s VAL 102 CO 0.08 0.36 1.57 -0.70 -3.33 0.00 0.00 175.10 173.08 2jjw s GLU 103 N -0.64 4.20 -0.21 1.54 2.12 -1.26 0.17 118.70 124.62 2jjw s GLU 103 Ca 0.07 2.43 -0.11 0.00 0.36 0.00 0.00 54.97 57.72 2jjw s GLU 103 Cb -0.08 -3.11 -0.09 0.00 0.26 0.00 0.00 34.13 31.11 2jjw s GLU 103 CO -0.00 -0.60 -0.27 0.34 -0.54 0.00 0.00 175.26 174.19 2jjw n PHE 104 N 3.34 0.00 -3.66 5.30 7.35 0.85 -4.78 117.46 125.86 2jjw n PHE 104 Ca 0.12 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.66 2jjw n PHE 104 Cb 0.38 -0.75 -0.08 0.00 0.35 0.00 0.00 39.48 39.38 2jjw n PHE 104 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2jjw s LYS 105 N -2.39 0.74 0.09 -4.13 1.02 -0.98 -5.02 119.74 109.07 2jjw s LYS 105 Ca -0.29 0.49 0.08 0.00 0.02 0.00 0.00 55.97 56.27 2jjw s LYS 105 Cb 0.11 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.74 2jjw s LYS 105 CO 0.37 -0.15 -0.19 0.45 -0.92 0.00 0.00 175.35 174.91 2jjw s SER 106 N -0.33 3.82 0.97 2.83 0.15 -1.26 -0.79 113.70 119.09 2jjw s SER 106 Ca -0.05 -0.53 -0.12 0.00 0.70 0.00 0.00 55.95 55.95 2jjw s SER 106 Cb -0.03 -0.55 0.17 0.00 -1.71 0.00 0.00 66.02 63.90 2jjw s SER 106 CO 0.03 0.20 1.10 -0.83 1.20 0.00 0.00 173.24 174.95 2jjw s GLY 107 N -1.89 1.58 0.00 9.45 0.00 0.24 -4.71 107.32 111.98 2jjw s GLY 107 Ca 0.17 -0.32 0.20 0.00 0.00 0.00 0.00 44.72 44.76 2jjw s GLY 107 CO 0.08 0.26 1.64 -1.55 0.00 0.00 0.00 173.10 173.54 2jjw n PRO 108 N -4.08 0.02 0.00 2.90 -0.04 -1.26 -4.75 135.00 127.78 2jjw n PRO 108 Ca 0.06 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2jjw n PRO 108 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2jjw n PRO 108 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jjw n GLY 109 N 0.57 -0.35 3.05 0.55 0.00 -1.26 -5.02 105.19 102.73 2jjw n GLY 109 Ca 0.05 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 2jjw n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jjw s THR 110 N -2.61 1.79 0.09 2.61 2.01 -0.08 -4.65 115.64 114.80 2jjw s THR 110 Ca 0.00 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 2jjw s THR 110 Cb 0.00 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 2jjw s THR 110 CO 0.00 0.36 0.97 -0.70 -0.69 0.00 0.00 174.62 174.56 2jjw s GLU 111 N 1.37 4.67 -0.26 4.92 2.12 0.97 -0.80 118.70 131.69 2jjw s GLU 111 Ca 0.02 1.45 -0.09 0.00 0.36 0.00 0.00 54.97 56.71 2jjw s GLU 111 Cb -0.14 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2jjw s GLU 111 CO -0.10 0.16 0.13 1.41 -0.54 0.00 0.00 175.26 176.31 2jjw s MET 112 N 0.19 3.83 0.22 4.30 -2.45 0.17 -0.32 119.30 125.24 2jjw s MET 112 Ca 0.48 -0.39 0.11 0.00 -1.25 0.00 0.00 55.69 54.64 2jjw s MET 112 Cb -0.23 -3.48 -0.05 0.00 1.25 0.00 0.00 34.83 32.32 2jjw s MET 112 CO 0.30 -0.15 -0.17 0.00 1.05 0.00 0.00 175.02 176.05 2jjw s ALA 113 N 1.59 2.75 -0.11 4.11 0.00 0.48 -2.25 121.76 128.33 2jjw s ALA 113 Ca 0.06 -1.66 -0.02 0.00 0.00 0.00 0.00 51.96 50.34 2jjw s ALA 113 Cb -0.15 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 2jjw s ALA 113 CO 0.07 0.38 -0.01 -1.17 0.00 0.00 0.00 175.76 175.03 2jjw s LEU 114 N -3.03 3.47 0.31 0.00 2.96 -1.26 -0.86 118.68 120.28 2jjw s LEU 114 Ca 0.25 0.05 0.05 0.00 -0.22 0.00 0.00 54.13 54.26 2jjw s LEU 114 Cb -0.07 -1.81 -0.06 0.00 0.50 0.00 0.00 46.19 44.75 2jjw s LEU 114 CO 0.13 0.31 0.01 -0.83 -1.32 0.00 0.00 176.35 174.66 2jjw s GLY 115 N -0.46 1.99 0.40 7.98 0.00 0.71 -4.89 107.32 113.05 2jjw s GLY 115 Ca 0.08 -2.01 -0.17 0.00 0.00 0.00 0.00 44.72 42.62 2jjw s GLY 115 CO 0.02 -1.83 0.85 0.00 0.00 0.00 0.00 173.10 172.14 2jjw s ALA 116 N -3.18 3.18 0.34 3.20 0.00 -1.26 -4.45 121.76 119.59 2jjw s ALA 116 Ca 0.34 0.17 -0.28 0.00 0.00 0.00 0.00 51.96 52.18 2jjw s ALA 116 Cb 0.07 -2.95 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 2jjw s ALA 116 CO 0.14 0.14 1.18 0.15 0.00 0.00 0.00 175.76 177.37 2jjw s LYS 117 N -3.31 4.36 0.00 0.00 1.02 -1.26 -4.94 119.74 115.61 2jjw s LYS 117 Ca 0.57 1.92 0.00 0.00 0.02 0.00 0.00 55.97 58.49 2jjw s LYS 117 Cb -0.10 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2jjw s LYS 117 CO 0.19 -0.08 0.21 -2.30 -0.92 0.00 0.00 175.35 172.45