#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qhr s LEU 3 N 0.00 4.02 -0.01 1.08 2.96 -1.26 -4.82 118.68 120.66 2qhr s LEU 3 Ca 0.00 1.28 0.02 0.00 -0.22 0.00 0.00 54.13 55.20 2qhr s LEU 3 Cb 0.00 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.15 2qhr s LEU 3 CO 0.00 -0.81 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.48 2qhr s VAL 4 N 3.54 0.43 -0.15 1.68 1.01 -1.26 -4.97 120.40 120.68 2qhr s VAL 4 Ca 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2qhr s VAL 4 Cb -0.15 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 2qhr s VAL 4 CO 0.13 0.13 -0.15 -0.76 0.00 0.00 0.00 175.10 174.45 2qhr s LEU 5 N -0.03 2.51 -0.13 3.92 1.43 -1.26 -1.48 118.68 123.63 2qhr s LEU 5 Ca 0.01 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2qhr s LEU 5 Cb -0.03 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 2qhr s LEU 5 CO -0.00 0.09 -0.19 -0.89 0.23 0.00 0.00 176.35 175.59 2qhr s THR 6 N 0.79 2.44 -0.07 5.49 2.01 -0.60 -4.44 115.64 121.26 2qhr s THR 6 Ca -0.05 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 2qhr s THR 6 Cb -0.15 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.38 2qhr s THR 6 CO 0.00 0.54 0.19 0.00 -0.69 0.00 0.00 174.62 174.66 2qhr s GLN 7 N 0.60 0.26 0.59 4.92 -2.07 -1.26 -0.77 119.66 121.92 2qhr s GLN 7 Ca -0.11 0.21 -0.18 0.00 -1.82 0.00 0.00 55.36 53.47 2qhr s GLN 7 Cb -0.16 0.12 -0.07 0.00 -1.09 0.00 0.00 33.01 31.81 2qhr s GLN 7 CO 0.03 -0.04 0.65 0.43 -1.32 0.00 0.00 175.29 175.04 2qhr n SER 8 N 2.82 -0.54 0.15 12.60 7.64 -1.26 -4.73 113.62 130.29 2qhr n SER 8 Ca -0.14 0.75 0.12 0.00 1.01 0.00 0.00 58.87 60.61 2qhr n SER 8 Cb 0.58 -1.24 0.20 0.00 -1.01 0.00 0.00 64.21 62.75 2qhr n SER 8 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2qhr h SER 9 N 0.26 0.00 -5.03 6.43 4.64 -1.96 -3.30 113.55 114.59 2qhr h SER 9 Ca -0.46 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 60.77 2qhr h SER 9 Cb 1.39 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.32 2qhr h SER 9 CO 0.48 0.01 -0.01 -0.94 -0.87 0.00 0.00 176.83 175.51 2qhr s SER 10 N -5.37 -0.38 -0.01 4.97 1.04 -1.26 -0.95 113.70 111.74 2qhr s SER 10 Ca 0.06 0.05 -0.21 0.00 0.48 0.00 0.00 55.95 56.34 2qhr s SER 10 Cb 0.09 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.73 2qhr s SER 10 CO 0.68 -0.74 0.46 0.00 0.98 0.00 0.00 173.24 174.62 2qhr s ALA 11 N -2.72 -1.16 0.06 5.32 0.00 -0.71 -4.87 121.76 117.68 2qhr s ALA 11 Ca -0.04 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.58 2qhr s ALA 11 Cb -0.00 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 2qhr s ALA 11 CO -0.04 -0.35 -0.09 -1.12 0.00 0.00 0.00 175.76 174.16 2qhr s SER 12 N -1.48 1.05 -0.04 0.00 0.01 -1.26 -1.44 113.70 110.55 2qhr s SER 12 Ca -0.10 -0.63 -0.11 0.00 1.31 0.00 0.00 55.95 56.41 2qhr s SER 12 Cb -0.02 0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.25 2qhr s SER 12 CO 0.04 -0.22 0.26 -0.36 0.41 0.00 0.00 173.24 173.37 2qhr s PHE 13 N -1.70 -0.16 0.31 2.43 0.08 -0.25 -4.95 117.98 113.73 2qhr s PHE 13 Ca -0.05 0.32 -0.29 0.00 0.12 0.00 0.00 56.93 57.03 2qhr s PHE 13 Cb -0.08 0.06 -0.10 0.00 -0.57 0.00 0.00 43.02 42.34 2qhr s PHE 13 CO 0.00 -0.29 1.17 -1.12 -0.10 0.00 0.00 175.22 174.87 2qhr s SER 14 N -0.89 7.06 -0.06 1.36 0.01 -1.26 -0.73 113.70 119.18 2qhr s SER 14 Ca -0.10 2.40 -0.39 0.00 1.31 0.00 0.00 55.95 59.17 2qhr s SER 14 Cb -0.05 -2.63 -0.17 0.00 0.21 0.00 0.00 66.02 63.38 2qhr s SER 14 CO 0.02 -0.30 1.39 -0.11 0.41 0.00 0.00 173.24 174.66 2qhr n LEU 15 N 0.98 1.41 0.00 2.44 0.00 -0.33 -0.62 117.00 120.88 2qhr n LEU 15 Ca -0.00 1.12 0.00 0.00 0.00 0.00 0.00 56.01 57.13 2qhr n LEU 15 Cb 0.44 -1.10 0.00 0.00 0.00 0.00 0.00 43.42 42.77 2qhr n LEU 15 CO 0.55 -1.08 0.00 0.61 0.00 0.00 0.00 177.39 177.47 2qhr n GLY 16 N 2.79 2.37 3.85 -3.96 0.00 0.13 -4.89 105.19 105.49 2qhr n GLY 16 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2qhr n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qhr s ALA 17 N -2.44 2.29 -0.24 4.61 0.00 0.21 -3.89 121.76 122.30 2qhr s ALA 17 Ca 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 2qhr s ALA 17 Cb 0.00 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 2qhr s ALA 17 CO 0.00 -1.93 0.21 -1.12 0.00 0.00 0.00 175.76 172.92 2qhr s SER 18 N -4.35 6.16 0.11 0.00 0.01 -1.26 -0.17 113.70 114.20 2qhr s SER 18 Ca 0.63 0.16 0.05 0.00 1.31 0.00 0.00 55.95 58.10 2qhr s SER 18 Cb -0.13 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 2qhr s SER 18 CO 0.51 0.02 0.01 0.00 0.41 0.00 0.00 173.24 174.19 2qhr s ALA 19 N 1.22 3.31 -0.03 1.44 0.00 0.28 -4.98 121.76 123.00 2qhr s ALA 19 Ca 0.09 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 2qhr s ALA 19 Cb -0.14 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 21.83 2qhr s ALA 19 CO 0.06 0.64 0.03 0.21 0.00 0.00 0.00 175.76 176.70 2qhr s LYS 20 N -2.51 0.09 0.05 0.00 2.20 -1.26 -0.36 119.74 117.95 2qhr s LYS 20 Ca 0.27 0.21 0.04 0.00 -0.36 0.00 0.00 55.97 56.13 2qhr s LYS 20 Cb -0.11 -0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 35.72 2qhr s LYS 20 CO 0.19 -0.22 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.41 2qhr s LEU 21 N 1.49 3.31 -0.11 5.43 1.43 0.13 -4.96 118.68 125.41 2qhr s LEU 21 Ca -0.04 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2qhr s LEU 21 Cb -0.13 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 2qhr s LEU 21 CO -0.03 0.23 -0.15 -0.89 0.23 0.00 0.00 176.35 175.74 2qhr s THR 22 N -1.16 2.85 -0.08 5.49 2.01 -1.26 -1.25 115.64 122.25 2qhr s THR 22 Ca 0.21 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.52 2qhr s THR 22 Cb -0.11 -2.17 -0.00 0.00 0.01 0.00 0.00 72.50 70.22 2qhr s THR 22 CO 0.13 0.54 -0.24 0.00 -0.69 0.00 0.00 174.62 174.36 2qhr s THR 24 N 0.10 2.42 0.35 0.00 2.01 0.05 0.07 115.64 120.65 2qhr s THR 24 Ca -0.11 -0.87 -0.25 0.00 0.31 0.00 0.00 61.69 60.77 2qhr s THR 24 Cb -0.16 -1.98 -0.09 0.00 0.01 0.00 0.00 72.50 70.27 2qhr s THR 24 CO 0.06 0.54 1.01 -0.76 -0.69 0.00 0.00 174.62 174.77 2qhr s LEU 25 N 0.60 4.26 0.37 4.42 1.43 0.65 -1.56 118.68 128.86 2qhr s LEU 25 Ca -0.11 1.97 -0.25 0.00 -1.03 0.00 0.00 54.13 54.71 2qhr s LEU 25 Cb -0.16 -4.06 -0.13 0.00 0.03 0.00 0.00 46.19 41.87 2qhr s LEU 25 CO 0.03 -0.27 0.78 -1.54 0.23 0.00 0.00 176.35 175.58 2qhr n SER 26 N 0.32 0.17 -0.18 2.29 3.41 -0.55 -4.81 113.62 114.28 2qhr n SER 26 Ca 0.03 1.02 -0.01 0.00 -0.26 0.00 0.00 58.87 59.66 2qhr n SER 26 Cb 0.49 -1.21 0.08 0.00 -0.26 0.00 0.00 64.21 63.32 2qhr n SER 26 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2qhr h ARG 27 N 1.28 0.16 0.00 4.33 -0.00 -1.93 -1.17 114.38 117.06 2qhr h ARG 27 Ca -0.40 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.57 2qhr h ARG 27 Cb 1.37 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.31 2qhr h ARG 27 CO 0.55 0.10 0.00 0.00 -0.00 0.00 0.00 179.97 180.63 2qhr n GLN 27 N -5.21 0.41 -0.21 0.08 -0.00 -1.26 -2.51 117.38 108.68 2qhr n GLN 27 Ca 0.07 0.06 0.08 0.00 -0.00 0.00 0.00 57.00 57.20 2qhr n GLN 27 Cb 0.30 -1.50 0.12 0.00 -0.00 0.00 0.00 30.24 29.16 2qhr n GLN 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2qhr n HIS 28 N -1.13 0.00 0.27 2.61 -0.00 -0.46 -4.83 115.22 111.69 2qhr n HIS 28 Ca 0.11 -0.87 0.14 0.00 -0.00 0.00 0.00 57.72 57.09 2qhr n HIS 28 Cb 0.09 -0.14 0.66 0.00 -0.00 0.00 0.00 29.99 30.60 2qhr n HIS 28 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2qhr h SER 29 N 0.11 0.00 -0.24 0.41 4.64 -1.27 -1.62 113.55 115.58 2qhr h SER 29 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qhr h SER 29 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2qhr h SER 29 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 2qhr n THR 30 N -2.46 0.30 -2.11 2.95 -2.24 -1.26 -4.25 114.28 105.21 2qhr n THR 30 Ca -0.00 -0.46 -0.36 0.00 -2.27 0.00 0.00 64.05 60.95 2qhr n THR 30 Cb 0.13 0.53 0.02 0.00 -2.10 0.00 0.00 70.33 68.90 2qhr n THR 30 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2qhr s TYR 31 N -1.70 2.56 -0.13 4.78 1.51 -0.61 -4.40 117.35 119.36 2qhr s TYR 31 Ca 0.33 1.51 -0.26 0.00 -1.01 0.00 0.00 57.07 57.64 2qhr s TYR 31 Cb 0.18 -3.45 -0.02 0.00 -0.11 0.00 0.00 41.96 38.57 2qhr s TYR 31 CO 0.27 -1.97 0.86 0.99 -1.11 0.00 0.00 175.55 174.59 2qhr s THR 32 N -1.59 4.88 0.47 -0.71 2.01 -1.26 -4.16 115.64 115.28 2qhr s THR 32 Ca 0.73 1.72 0.05 0.00 0.31 0.00 0.00 61.69 64.50 2qhr s THR 32 Cb -0.29 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 2qhr s THR 32 CO 0.33 0.06 0.13 0.27 -0.69 0.00 0.00 174.62 174.73 2qhr s ILE 33 N 1.84 1.77 0.14 1.82 -4.36 -0.23 -4.56 121.20 117.61 2qhr s ILE 33 Ca 0.41 -1.81 0.07 0.00 -0.26 0.00 0.00 60.65 59.06 2qhr s ILE 33 Cb -0.17 -2.59 -0.04 0.00 1.25 0.00 0.00 42.46 40.91 2qhr s ILE 33 CO 0.15 0.00 -0.17 -1.61 0.24 0.00 0.00 174.94 173.56 2qhr s GLU 34 N -3.92 1.15 -0.09 0.37 8.01 -0.27 0.02 118.70 123.96 2qhr s GLU 34 Ca 0.28 -1.30 -0.01 0.00 0.01 0.00 0.00 54.97 53.95 2qhr s GLU 34 Cb 0.03 -1.17 -0.03 0.00 -4.31 0.00 0.00 34.13 28.65 2qhr s GLU 34 CO 0.15 0.24 -0.05 -1.58 0.01 0.00 0.00 175.26 174.03 2qhr s TRP 35 N -1.94 3.00 0.13 1.61 0.52 0.07 -1.14 118.94 121.18 2qhr s TRP 35 Ca 0.11 -0.02 0.10 0.00 0.02 0.00 0.00 56.10 56.32 2qhr s TRP 35 Cb -0.06 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 2qhr s TRP 35 CO 0.05 0.27 -0.24 0.71 0.02 0.00 0.00 176.95 177.76 2qhr s TYR 36 N -0.56 2.38 -0.10 -1.98 2.02 0.20 -0.79 117.35 118.52 2qhr s TYR 36 Ca 0.09 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.48 2qhr s TYR 36 Cb -0.12 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.16 2qhr s TYR 36 CO 0.02 0.35 -0.23 -1.14 -1.57 0.00 0.00 175.55 172.98 2qhr s GLN 37 N -2.09 2.95 -0.22 -0.62 0.74 0.61 -1.23 119.66 119.81 2qhr s GLN 37 Ca 0.15 -0.84 0.02 0.00 0.05 0.00 0.00 55.36 54.74 2qhr s GLN 37 Cb -0.10 -2.24 0.04 0.00 1.10 0.00 0.00 33.01 31.81 2qhr s GLN 37 CO 0.07 0.16 -0.14 -1.14 -0.55 0.00 0.00 175.29 173.70 2qhr s GLN 38 N 0.38 2.42 0.44 1.67 0.74 0.92 -0.45 119.66 125.78 2qhr s GLN 38 Ca -0.18 -1.03 0.02 0.00 0.05 0.00 0.00 55.36 54.22 2qhr s GLN 38 Cb -0.18 -2.64 0.00 0.00 1.10 0.00 0.00 33.01 31.29 2qhr s GLN 38 CO 0.08 -0.41 0.64 -0.65 -0.55 0.00 0.00 175.29 174.40 2qhr s GLN 39 N 1.25 2.99 0.45 1.67 -0.21 -1.26 -1.45 119.66 123.10 2qhr s GLN 39 Ca -0.02 -0.67 -0.24 0.00 0.02 0.00 0.00 55.36 54.45 2qhr s GLN 39 Cb -0.17 -2.61 -0.08 0.00 1.00 0.00 0.00 33.01 31.16 2qhr s GLN 39 CO -0.09 -0.27 1.29 -2.14 -2.12 0.00 0.00 175.29 171.97 2qhr s PRO 40 N -4.50 3.73 -1.14 2.91 0.02 -1.26 -2.15 135.00 132.61 2qhr s PRO 40 Ca 0.49 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.62 2qhr s PRO 40 Cb -0.10 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.85 2qhr s PRO 40 CO 0.36 -0.68 0.00 1.28 -0.33 0.00 0.00 177.00 177.64 2qhr n LEU 41 N -0.27 -0.42 -4.39 -5.54 4.77 -1.26 -5.01 117.00 104.88 2qhr n LEU 41 Ca 0.06 0.27 -0.21 0.00 -0.03 0.00 0.00 56.01 56.10 2qhr n LEU 41 Cb 0.45 -2.43 -0.10 0.00 -2.33 0.00 0.00 43.42 39.01 2qhr n LEU 41 CO 0.54 -0.92 -0.46 -0.54 -1.33 0.00 0.00 177.39 174.68 2qhr s LYS 42 N -2.80 1.44 0.88 3.23 1.02 -0.91 -5.14 119.74 117.47 2qhr s LYS 42 Ca 0.00 -1.64 -0.11 0.00 0.02 0.00 0.00 55.97 54.24 2qhr s LYS 42 Cb 0.00 -1.35 0.12 0.00 -0.52 0.00 0.00 37.83 36.08 2qhr s LYS 42 CO 0.00 0.24 1.09 -1.25 -0.92 0.00 0.00 175.35 174.51 2qhr s PRO 43 N -3.55 1.35 0.51 -1.68 0.04 -1.26 -4.51 135.00 125.90 2qhr s PRO 43 Ca 0.25 0.92 -0.21 0.00 0.04 0.00 0.00 61.00 62.00 2qhr s PRO 43 Cb -0.02 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 2qhr s PRO 43 CO 0.10 -2.20 0.80 -2.30 0.04 0.00 0.00 177.00 173.43 2qhr n PRO 44 N -3.87 0.89 -4.79 0.56 -0.02 -1.26 -4.54 135.00 121.97 2qhr n PRO 44 Ca 0.07 0.33 -0.27 0.00 -2.02 0.00 0.00 63.50 61.62 2qhr n PRO 44 Cb 0.55 -1.90 -0.17 0.00 -0.02 0.00 0.00 33.50 31.96 2qhr n PRO 44 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2qhr s ARG 45 N -2.15 2.11 -0.02 -0.52 3.52 0.41 -4.93 118.95 117.36 2qhr s ARG 45 Ca 0.68 -0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 2qhr s ARG 45 Cb -0.50 -1.68 -0.07 0.00 -1.56 0.00 0.00 34.95 31.15 2qhr s ARG 45 CO 0.54 0.08 1.72 -0.47 -0.81 0.00 0.00 175.30 176.36 2qhr s TYR 46 N 0.54 1.89 -0.18 5.12 5.04 -1.26 -0.28 117.35 128.22 2qhr s TYR 46 Ca -0.15 0.07 -0.15 0.00 -2.44 0.00 0.00 57.07 54.40 2qhr s TYR 46 Cb -0.16 -3.99 -0.07 0.00 0.35 0.00 0.00 41.96 38.08 2qhr s TYR 46 CO 0.05 -4.22 -0.23 0.28 -1.34 0.00 0.00 175.55 170.10 2qhr n VAL 47 N 5.38 1.48 -3.48 3.14 0.31 0.03 -4.30 118.33 120.88 2qhr n VAL 47 Ca 0.18 0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.50 2qhr n VAL 47 Cb 0.42 -2.28 -0.02 0.00 -0.91 0.00 0.00 33.84 31.05 2qhr n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qhr s MET 48 N -2.55 0.95 -0.16 5.55 0.23 -1.11 -0.19 119.30 122.01 2qhr s MET 48 Ca -0.25 -0.33 -0.09 0.00 -1.03 0.00 0.00 55.69 54.00 2qhr s MET 48 Cb 0.05 0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 33.74 2qhr s MET 48 CO 0.38 -0.41 0.14 -2.00 -2.03 0.00 0.00 175.02 171.09 2qhr s GLU 49 N -3.21 3.85 -0.08 3.16 2.12 -0.53 -0.75 118.70 123.26 2qhr s GLU 49 Ca 0.03 -0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.20 2qhr s GLU 49 Cb -0.01 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 31.08 2qhr s GLU 49 CO -0.10 0.52 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.88 2qhr s LEU 50 N -0.27 1.38 0.31 2.70 2.96 0.10 -1.25 118.68 124.62 2qhr s LEU 50 Ca 0.11 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 2qhr s LEU 50 Cb -0.12 -0.75 -0.02 0.00 0.50 0.00 0.00 46.19 45.80 2qhr s LEU 50 CO 0.01 -0.05 0.47 -0.54 -1.32 0.00 0.00 176.35 174.92 2qhr s LYS 51 N 1.14 3.32 0.66 1.98 1.02 -0.29 -1.07 119.74 126.50 2qhr s LYS 51 Ca -0.06 -0.70 0.34 0.00 0.02 0.00 0.00 55.97 55.57 2qhr s LYS 51 Cb -0.14 -2.78 1.84 0.00 -0.52 0.00 0.00 37.83 36.23 2qhr s LYS 51 CO -0.02 0.18 2.03 1.57 -0.92 0.00 0.00 175.35 178.20 2qhr h LYS 52 N 0.91 0.00 -0.17 1.68 2.10 -1.77 0.50 116.57 119.83 2qhr h LYS 52 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2qhr h LYS 52 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2qhr h LYS 52 CO 0.58 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.63 2qhr n ASP 53 N -2.92 2.42 0.00 7.07 5.75 -1.26 -4.70 116.55 122.91 2qhr n ASP 53 Ca -0.02 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 2qhr n ASP 53 Cb 0.29 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 2qhr n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qhr n GLY 54 N 1.29 2.19 3.78 6.12 0.00 0.17 -4.81 105.19 113.94 2qhr n GLY 54 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2qhr n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qhr s SER 54 N -1.92 5.81 0.16 1.61 1.04 -1.26 -4.30 113.70 114.83 2qhr s SER 54 Ca 0.00 2.09 -0.18 0.00 0.48 0.00 0.00 55.95 58.34 2qhr s SER 54 Cb 0.00 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.59 2qhr s SER 54 CO 0.00 -1.16 0.49 -1.38 0.98 0.00 0.00 173.24 172.17 2qhr s HIS 54 N -1.90 -0.26 -0.05 5.02 -3.43 -1.26 -1.13 115.29 112.28 2qhr s HIS 54 Ca 0.71 -0.04 -0.01 0.00 -0.80 0.00 0.00 55.06 54.91 2qhr s HIS 54 Cb -0.22 0.37 0.03 0.00 -1.43 0.00 0.00 32.58 31.34 2qhr s HIS 54 CO 0.27 -0.81 0.03 0.45 -2.00 0.00 0.00 174.74 172.68 2qhr s SER 54 N -2.81 1.22 0.25 7.38 0.15 -0.38 -4.98 113.70 114.53 2qhr s SER 54 Ca 0.04 0.00 -0.06 0.00 0.70 0.00 0.00 55.95 56.64 2qhr s SER 54 Cb 0.00 -0.27 -0.06 0.00 -1.71 0.00 0.00 66.02 63.98 2qhr s SER 54 CO -0.09 -0.21 0.52 0.42 1.20 0.00 0.00 173.24 175.08 2qhr s THR 54 N 1.94 5.03 1.02 6.45 -4.23 -1.26 -1.45 115.64 123.14 2qhr s THR 54 Ca 0.03 0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.51 2qhr s THR 54 Cb -0.12 -3.69 0.22 0.00 1.34 0.00 0.00 72.50 70.24 2qhr s THR 54 CO -0.04 -0.21 1.25 -0.83 -0.54 0.00 0.00 174.62 174.25 2qhr s GLY 55 N -2.88 1.71 0.22 3.99 0.00 0.74 -4.93 107.32 106.17 2qhr s GLY 55 Ca 0.44 -1.08 -0.30 0.00 0.00 0.00 0.00 44.72 43.78 2qhr s GLY 55 CO 0.27 -0.30 1.32 0.99 0.00 0.00 0.00 173.10 175.38 2qhr s ASP 56 N -4.56 6.87 -0.92 1.64 1.01 -1.26 -3.22 116.67 116.23 2qhr s ASP 56 Ca 0.72 2.46 0.00 0.00 0.71 0.00 0.00 52.55 56.44 2qhr s ASP 56 Cb -0.06 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2qhr s ASP 56 CO 0.54 -0.53 0.00 0.61 0.21 0.00 0.00 175.17 175.99 2qhr n GLY 57 N 2.14 0.90 3.65 0.21 0.00 -1.26 -5.01 105.19 105.81 2qhr n GLY 57 Ca 0.05 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 2qhr n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qhr s ILE 58 N -2.35 5.08 0.80 -0.61 -1.09 -1.20 -5.06 121.20 116.77 2qhr s ILE 58 Ca 0.00 0.97 -0.15 0.00 -2.23 0.00 0.00 60.65 59.24 2qhr s ILE 58 Cb 0.00 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 2qhr s ILE 58 CO 0.00 0.13 0.46 -2.65 -1.23 0.00 0.00 174.94 171.65 2qhr n PRO 59 N 5.10 0.11 0.18 2.79 -0.02 -1.26 -4.88 135.00 137.01 2qhr n PRO 59 Ca -0.04 0.08 0.13 0.00 -2.02 0.00 0.00 63.50 61.65 2qhr n PRO 59 Cb 0.50 -1.82 0.62 0.00 -0.02 0.00 0.00 33.50 32.77 2qhr n PRO 59 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2qhr h ASP 60 N -0.77 0.00 0.21 2.55 3.04 -2.01 -2.83 116.42 116.61 2qhr h ASP 60 Ca -0.45 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.34 2qhr h ASP 60 Cb 1.33 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.62 2qhr h ASP 60 CO 0.39 0.00 -0.03 0.03 -2.04 0.00 0.00 179.24 177.60 2qhr h ARG 61 N 0.00 0.00 -5.81 4.15 3.08 -1.89 -3.43 114.38 110.47 2qhr h ARG 61 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2qhr h ARG 61 Cb 0.23 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 2qhr h ARG 61 CO 0.00 0.03 -0.11 -0.06 -1.07 0.00 0.00 179.97 178.76 2qhr s PHE 62 N -4.21 3.55 0.22 3.04 0.08 -1.07 -1.50 117.98 118.09 2qhr s PHE 62 Ca -0.04 0.96 -0.10 0.00 0.12 0.00 0.00 56.93 57.87 2qhr s PHE 62 Cb 0.13 -2.57 -0.01 0.00 -0.57 0.00 0.00 43.02 40.00 2qhr s PHE 62 CO 0.50 0.20 0.38 -1.54 -0.10 0.00 0.00 175.22 174.66 2qhr s SER 63 N 0.48 -0.03 0.10 1.36 1.04 0.24 -5.01 113.70 111.88 2qhr s SER 63 Ca 0.27 -0.99 0.06 0.00 0.48 0.00 0.00 55.95 55.78 2qhr s SER 63 Cb -0.16 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 2qhr s SER 63 CO 0.12 -1.04 -0.16 -0.83 0.98 0.00 0.00 173.24 172.31 2qhr s GLY 64 N -3.03 1.05 0.37 7.32 0.00 -1.26 -0.13 107.32 111.65 2qhr s GLY 64 Ca 0.24 -1.18 -0.11 0.00 0.00 0.00 0.00 44.72 43.67 2qhr s GLY 64 CO 0.08 -1.22 0.68 -1.35 0.00 0.00 0.00 173.10 171.29 2qhr s SER 65 N -2.08 0.35 0.06 1.64 1.04 -0.84 -4.80 113.70 109.06 2qhr s SER 65 Ca 0.05 -1.28 -0.07 0.00 0.48 0.00 0.00 55.95 55.13 2qhr s SER 65 Cb -0.08 0.79 -0.01 0.00 0.10 0.00 0.00 66.02 66.82 2qhr s SER 65 CO 0.03 -1.56 0.14 -0.44 0.98 0.00 0.00 173.24 172.39 2qhr s SER 66 N -3.13 0.15 -0.30 7.02 0.01 -1.26 0.06 113.70 116.25 2qhr s SER 66 Ca 0.21 -0.58 -0.00 0.00 1.31 0.00 0.00 55.95 56.89 2qhr s SER 66 Cb -0.03 0.28 0.19 0.00 0.21 0.00 0.00 66.02 66.66 2qhr s SER 66 CO 0.15 -0.60 0.65 -0.55 0.41 0.00 0.00 173.24 173.29 2qhr s SER 67 N -2.44 -1.35 1.15 2.44 0.15 -0.44 -4.80 113.70 108.41 2qhr s SER 67 Ca -0.00 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2qhr s SER 67 Cb 0.02 2.04 0.00 0.00 -1.71 0.00 0.00 66.02 66.37 2qhr s SER 67 CO -0.07 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2qhr n GLY 68 N 5.42 3.42 0.19 9.45 0.00 -1.26 -1.37 105.19 121.04 2qhr n GLY 68 Ca 0.00 0.22 0.14 0.00 0.00 0.00 0.00 46.02 46.39 2qhr n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qhr n ALA 69 N 11.68 2.80 -2.16 4.61 0.00 -1.26 -4.78 120.51 131.40 2qhr n ALA 69 Ca 0.00 -0.32 -0.38 0.00 0.00 0.00 0.00 53.44 52.74 2qhr n ALA 69 Cb 0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 2qhr n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qhr s ASP 70 N -2.37 7.16 -0.07 0.00 1.11 -0.47 -0.25 116.67 121.77 2qhr s ASP 70 Ca 0.31 1.40 0.03 0.00 0.18 0.00 0.00 52.55 54.46 2qhr s ASP 70 Cb 0.20 -2.41 0.01 0.00 1.07 0.00 0.00 42.92 41.79 2qhr s ASP 70 CO 0.46 0.21 -0.15 -0.13 1.18 0.00 0.00 175.17 176.73 2qhr s ARG 71 N -1.29 2.05 -0.01 8.23 1.81 0.11 -1.33 118.95 128.52 2qhr s ARG 71 Ca 0.33 -0.54 0.06 0.00 -1.72 0.00 0.00 55.73 53.86 2qhr s ARG 71 Cb -0.20 -1.64 -0.03 0.00 -0.45 0.00 0.00 34.95 32.63 2qhr s ARG 71 CO 0.22 0.07 -0.18 0.71 -0.68 0.00 0.00 175.30 175.43 2qhr s TYR 72 N 0.56 2.56 -0.23 -0.53 2.02 0.11 -0.58 117.35 121.26 2qhr s TYR 72 Ca -0.16 -0.26 -0.05 0.00 -0.37 0.00 0.00 57.07 56.24 2qhr s TYR 72 Cb -0.16 -1.54 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 2qhr s TYR 72 CO 0.05 0.15 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.00 2qhr s LEU 73 N -0.93 3.10 -0.10 -1.29 2.96 -0.38 -1.99 118.68 120.04 2qhr s LEU 73 Ca 0.12 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2qhr s LEU 73 Cb -0.10 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 2qhr s LEU 73 CO 0.02 -0.05 0.00 -0.44 -1.32 0.00 0.00 176.35 174.56 2qhr s SER 74 N 1.49 5.21 -0.23 3.68 0.01 0.82 0.22 113.70 124.91 2qhr s SER 74 Ca 0.05 0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.42 2qhr s SER 74 Cb -0.15 -1.54 0.06 0.00 0.21 0.00 0.00 66.02 64.60 2qhr s SER 74 CO -0.02 0.34 -0.03 -0.63 0.41 0.00 0.00 173.24 173.32 2qhr s ILE 75 N -0.66 1.28 0.43 1.44 1.01 0.52 -0.59 121.20 124.63 2qhr s ILE 75 Ca 0.11 -1.08 -0.22 0.00 0.00 0.00 0.00 60.65 59.46 2qhr s ILE 75 Cb -0.12 -1.62 -0.10 0.00 0.01 0.00 0.00 42.46 40.63 2qhr s ILE 75 CO 0.02 -0.14 0.98 -0.94 0.00 0.00 0.00 174.94 174.86 2qhr s SER 76 N 1.51 6.83 -1.15 3.58 1.04 -0.56 -0.56 113.70 124.39 2qhr s SER 76 Ca -0.04 1.79 -0.12 0.00 0.48 0.00 0.00 55.95 58.06 2qhr s SER 76 Cb -0.18 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 2qhr s SER 76 CO -0.07 -0.44 0.81 -3.20 0.98 0.00 0.00 173.24 171.33 2qhr n ASN 77 N -0.54 -4.85 -4.74 7.02 5.15 -0.93 -4.75 115.26 111.62 2qhr n ASN 77 Ca 0.07 -0.88 -0.42 0.00 -0.60 0.00 0.00 54.58 52.75 2qhr n ASN 77 Cb 0.53 -4.09 -0.02 0.00 -0.53 0.00 0.00 39.78 35.67 2qhr n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2qhr s ILE 78 N -3.49 2.29 0.29 -1.44 2.07 0.76 -4.52 121.20 117.15 2qhr s ILE 78 Ca 0.37 0.23 0.06 0.00 -1.41 0.00 0.00 60.65 59.91 2qhr s ILE 78 Cb -0.10 -3.15 -0.03 0.00 0.13 0.00 0.00 42.46 39.32 2qhr s ILE 78 CO 0.81 0.03 0.32 -1.10 -1.91 0.00 0.00 174.94 173.10 2qhr s GLN 79 N -0.04 3.06 0.48 3.50 -1.52 -1.26 0.21 119.66 124.09 2qhr s GLN 79 Ca 0.65 -1.02 0.18 0.00 -1.95 0.00 0.00 55.36 53.22 2qhr s GLN 79 Cb -0.46 -2.69 1.20 0.00 -0.22 0.00 0.00 33.01 30.84 2qhr s GLN 79 CO 0.42 0.26 2.05 -1.35 -0.25 0.00 0.00 175.29 176.43 2qhr h PRO 80 N 1.22 0.00 0.00 2.91 0.11 -1.96 -2.18 132.00 132.10 2qhr h PRO 80 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qhr h PRO 80 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qhr h PRO 80 CO 0.58 0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.65 2qhr n GLU 81 N -4.18 0.36 0.00 1.05 0.00 -1.26 -2.21 120.64 114.39 2qhr n GLU 81 Ca -0.02 0.06 0.14 0.00 0.00 0.00 0.00 57.16 57.34 2qhr n GLU 81 Cb 0.21 -1.50 0.68 0.00 0.00 0.00 0.00 31.44 30.82 2qhr n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2qhr n ASP 82 N -1.27 0.15 -4.66 -1.84 8.00 -0.82 -4.81 116.55 111.31 2qhr n ASP 82 Ca 0.12 -0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 2qhr n ASP 82 Cb 0.18 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 2qhr n ASP 82 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2qhr s GLU 83 N -2.63 4.14 -0.10 -1.24 2.12 -0.94 -4.88 118.70 115.17 2qhr s GLU 83 Ca 0.26 2.26 -0.33 0.00 0.36 0.00 0.00 54.97 57.52 2qhr s GLU 83 Cb 0.20 -4.03 0.14 0.00 0.26 0.00 0.00 34.13 30.70 2qhr s GLU 83 CO 0.49 -0.91 1.37 0.00 -0.54 0.00 0.00 175.26 175.67 2qhr s ALA 84 N 4.24 -2.36 -0.15 6.30 0.00 -1.14 -4.72 121.76 123.92 2qhr s ALA 84 Ca 0.77 1.02 -0.19 0.00 0.00 0.00 0.00 51.96 53.57 2qhr s ALA 84 Cb -0.35 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2qhr s ALA 84 CO 0.32 -0.97 0.51 0.42 0.00 0.00 0.00 175.76 176.04 2qhr s ILE 85 N -2.18 5.14 -0.20 0.00 1.01 -0.53 -0.31 121.20 124.13 2qhr s ILE 85 Ca 0.14 0.99 -0.09 0.00 0.00 0.00 0.00 60.65 61.69 2qhr s ILE 85 Cb 0.05 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 2qhr s ILE 85 CO -0.05 0.25 0.11 -0.31 0.00 0.00 0.00 174.94 174.94 2qhr s TYR 86 N 1.09 3.32 -0.07 3.97 2.02 0.13 -0.06 117.35 127.75 2qhr s TYR 86 Ca 0.26 0.18 0.02 0.00 -0.37 0.00 0.00 57.07 57.17 2qhr s TYR 86 Cb -0.15 -2.16 0.01 0.00 -0.40 0.00 0.00 41.96 39.26 2qhr s TYR 86 CO 0.10 0.16 -0.13 0.42 -1.57 0.00 0.00 175.55 174.54 2qhr s ILE 87 N 0.57 1.18 0.31 2.71 1.09 -0.36 -0.28 121.20 126.42 2qhr s ILE 87 Ca 0.06 -0.51 -0.02 0.00 -1.10 0.00 0.00 60.65 59.08 2qhr s ILE 87 Cb -0.12 -1.07 -0.04 0.00 -1.06 0.00 0.00 42.46 40.16 2qhr s ILE 87 CO 0.00 0.36 0.54 0.00 -0.10 0.00 0.00 174.94 175.75 2qhr s GLY 89 N -3.61 0.04 -0.20 0.00 0.00 -0.30 -0.95 107.32 102.31 2qhr s GLY 89 Ca 0.41 -0.14 -0.16 0.00 0.00 0.00 0.00 44.72 44.84 2qhr s GLY 89 CO 0.33 -0.28 0.51 0.54 0.00 0.00 0.00 173.10 174.20 2qhr s VAL 90 N -1.47 -0.00 0.41 1.40 0.11 0.20 -1.12 120.40 119.92 2qhr s VAL 90 Ca -0.14 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.00 2qhr s VAL 90 Cb -0.07 -0.72 -0.06 0.00 -1.53 0.00 0.00 36.38 33.99 2qhr s VAL 90 CO 0.01 0.01 0.11 -0.83 -3.33 0.00 0.00 175.10 171.07 2qhr s GLY 91 N 0.59 2.38 0.15 6.54 0.00 -1.26 -1.08 107.32 114.63 2qhr s GLY 91 Ca -0.03 -2.17 -0.25 0.00 0.00 0.00 0.00 44.72 42.27 2qhr s GLY 91 CO -0.03 -1.98 0.87 -0.35 0.00 0.00 0.00 173.10 171.60 2qhr s ASP 92 N -3.82 -0.26 -0.22 1.64 -1.08 -0.71 -4.99 116.67 107.22 2qhr s ASP 92 Ca 0.39 -0.33 -0.01 0.00 -0.52 0.00 0.00 52.55 52.07 2qhr s ASP 92 Cb 0.06 0.53 0.06 0.00 -1.46 0.00 0.00 42.92 42.11 2qhr s ASP 92 CO 0.21 -0.95 -0.01 -0.89 0.52 0.00 0.00 175.17 174.05 2qhr s THR 93 N -3.42 1.09 -0.20 1.71 2.01 -1.26 -1.07 115.64 114.50 2qhr s THR 93 Ca 0.10 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 2qhr s THR 93 Cb -0.02 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 71.02 2qhr s THR 93 CO -0.00 -0.16 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.01 2qhr s ILE 94 N 1.59 2.67 -1.45 1.82 1.01 0.49 -4.50 121.20 122.84 2qhr s ILE 94 Ca -0.04 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 2qhr s ILE 94 Cb -0.18 -2.17 0.05 0.00 0.01 0.00 0.00 42.46 40.17 2qhr s ILE 94 CO -0.07 0.49 0.79 0.29 0.00 0.00 0.00 174.94 176.44 2qhr n LYS 95 N 4.67 -4.85 -1.66 2.79 5.02 -1.26 -1.40 118.16 121.47 2qhr n LYS 95 Ca -0.20 0.56 -0.19 0.00 -2.02 0.00 0.00 58.31 56.46 2qhr n LYS 95 Cb 0.50 -5.22 -0.07 0.00 -0.02 0.00 0.00 35.03 30.22 2qhr n LYS 95 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2qhr n GLU 95 N -4.48 -1.47 -3.89 1.97 1.02 -1.26 -4.96 120.64 107.57 2qhr n GLU 95 Ca -0.13 1.13 -0.35 0.00 -0.02 0.00 0.00 57.16 57.78 2qhr n GLU 95 Cb 0.60 -5.52 -0.14 0.00 -0.02 0.00 0.00 31.44 26.36 2qhr n GLU 95 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2qhr s GLN 95 N -3.81 3.33 0.23 3.49 2.00 -0.50 -5.10 119.66 119.30 2qhr s GLN 95 Ca 0.00 -0.66 -0.30 0.00 -2.00 0.00 0.00 55.36 52.40 2qhr s GLN 95 Cb 0.00 -3.06 -0.09 0.00 0.80 0.00 0.00 33.01 30.66 2qhr s GLN 95 CO 0.00 -0.23 1.35 0.12 -0.50 0.00 0.00 175.29 176.03 2qhr s PHE 95 N 1.48 3.17 0.04 1.67 5.36 -1.26 -0.38 117.98 128.07 2qhr s PHE 95 Ca 0.05 1.18 0.04 0.00 -0.96 0.00 0.00 56.93 57.24 2qhr s PHE 95 Cb -0.15 -3.67 -0.02 0.00 -0.34 0.00 0.00 43.02 38.84 2qhr s PHE 95 CO -0.02 -2.11 -0.11 0.14 -1.46 0.00 0.00 175.22 171.65 2qhr s VAL 95 N -0.03 0.84 -0.05 3.12 -7.23 -0.24 -4.94 120.40 111.87 2qhr s VAL 95 Ca 0.57 -1.02 -0.02 0.00 -1.81 0.00 0.00 61.98 59.69 2qhr s VAL 95 Cb -0.38 -0.82 0.04 0.00 0.56 0.00 0.00 36.38 35.78 2qhr s VAL 95 CO 0.41 -0.17 0.10 -0.47 -0.31 0.00 0.00 175.10 174.65 2qhr s TYR 96 N -1.06 -0.06 -0.11 2.82 5.04 -1.26 -1.74 117.35 120.98 2qhr s TYR 96 Ca -0.03 0.38 0.02 0.00 -2.44 0.00 0.00 57.07 55.00 2qhr s TYR 96 Cb -0.09 -0.29 -0.01 0.00 0.35 0.00 0.00 41.96 41.92 2qhr s TYR 96 CO 0.01 -0.19 -0.19 0.08 -1.34 0.00 0.00 175.55 173.92 2qhr s VAL 97 N 1.79 2.52 -0.08 3.14 1.01 -0.24 -4.97 120.40 123.58 2qhr s VAL 97 Ca -0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 2qhr s VAL 97 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2qhr s VAL 97 CO -0.04 0.55 0.09 -0.36 0.00 0.00 0.00 175.10 175.34 2qhr s PHE 98 N 0.24 3.41 1.13 5.22 0.08 -1.26 -0.63 117.98 126.16 2qhr s PHE 98 Ca -0.13 0.35 -0.12 0.00 0.12 0.00 0.00 56.93 57.15 2qhr s PHE 98 Cb -0.16 -1.85 0.26 0.00 -0.57 0.00 0.00 43.02 40.70 2qhr s PHE 98 CO 0.07 0.62 1.04 0.20 -0.10 0.00 0.00 175.22 177.05 2qhr s GLY 99 N -1.20 1.56 0.01 4.36 0.00 -0.12 -4.77 107.32 107.16 2qhr s GLY 99 Ca 0.17 -0.10 0.25 0.00 0.00 0.00 0.00 44.72 45.04 2qhr s GLY 99 CO 0.07 0.58 1.81 0.61 0.00 0.00 0.00 173.10 176.17 2qhr n GLY 100 N 0.52 -1.38 0.00 0.20 0.00 -1.26 -4.79 105.19 98.47 2qhr n GLY 100 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2qhr n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qhr n GLY 101 N 1.11 -0.62 3.16 -0.02 0.00 -1.26 -4.98 105.19 102.58 2qhr n GLY 101 Ca 0.06 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 2qhr n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qhr s THR 102 N -2.12 2.69 -0.34 2.61 2.01 0.62 -4.22 115.64 116.89 2qhr s THR 102 Ca 0.00 -1.19 -0.29 0.00 0.31 0.00 0.00 61.69 60.52 2qhr s THR 102 Cb 0.00 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.10 2qhr s THR 102 CO 0.00 0.14 1.36 -0.75 -0.69 0.00 0.00 174.62 174.67 2qhr s LYS 103 N 1.27 3.79 -0.21 4.92 2.20 -0.13 0.18 119.74 131.76 2qhr s LYS 103 Ca -0.02 1.15 -0.07 0.00 -0.36 0.00 0.00 55.97 56.68 2qhr s LYS 103 Cb -0.17 -3.94 -0.03 0.00 -1.51 0.00 0.00 37.83 32.17 2qhr s LYS 103 CO -0.05 -1.29 0.05 0.08 -0.36 0.00 0.00 175.35 173.79 2qhr s VAL 104 N 4.79 4.46 -0.11 4.02 1.01 0.58 -1.73 120.40 133.41 2qhr s VAL 104 Ca 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 2qhr s VAL 104 Cb -0.16 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2qhr s VAL 104 CO 0.27 0.41 -0.02 -0.89 0.00 0.00 0.00 175.10 174.87 2qhr s THR 105 N 0.88 4.05 -0.46 3.92 2.01 -0.52 -2.90 115.64 122.63 2qhr s THR 105 Ca 0.03 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 2qhr s THR 105 Cb -0.14 -2.73 0.09 0.00 0.01 0.00 0.00 72.50 69.74 2qhr s THR 105 CO 0.02 0.55 0.33 -0.69 -0.69 0.00 0.00 174.62 174.15 2qhr s VAL 106 N -0.34 4.53 0.80 3.82 1.01 -1.26 -1.09 120.40 127.87 2qhr s VAL 106 Ca 0.06 -1.44 -0.12 0.00 0.00 0.00 0.00 61.98 60.49 2qhr s VAL 106 Cb -0.12 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.51 2qhr s VAL 106 CO 0.02 -0.63 1.11 -0.76 0.00 0.00 0.00 175.10 174.85 2qhr s LEU 107 N 1.47 2.53 0.00 3.92 1.43 0.09 -4.37 118.68 123.75 2qhr s LEU 107 Ca 0.04 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2qhr s LEU 107 Cb -0.25 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.25 2qhr s LEU 107 CO 0.02 -1.95 0.00 0.61 0.23 0.00 0.00 176.35 175.26 2qhr n GLY 108 N -2.45 0.54 3.88 -3.19 0.00 -1.26 -1.19 105.19 101.52 2qhr n GLY 108 Ca 0.07 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2qhr n GLY 108 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qhr s GLN 109 N -0.79 3.73 0.42 1.61 -0.21 -1.26 -4.84 119.66 118.33 2qhr s GLN 109 Ca 0.00 0.42 -0.24 0.00 0.02 0.00 0.00 55.36 55.56 2qhr s GLN 109 Cb 0.00 -2.39 -0.08 0.00 1.00 0.00 0.00 33.01 31.54 2qhr s GLN 109 CO 0.00 -0.06 1.16 -1.25 -2.12 0.00 0.00 175.29 173.02 2qhr s PRO 110 N -4.00 3.95 0.58 2.91 0.04 -1.26 -4.99 135.00 132.23 2qhr s PRO 110 Ca 0.50 1.79 -0.16 0.00 0.04 0.00 0.00 61.00 63.18 2qhr s PRO 110 Cb -0.10 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 2qhr s PRO 110 CO 0.34 -0.40 1.04 0.21 0.04 0.00 0.00 177.00 178.23 2qhr s LYS 111 N -2.47 3.43 -0.08 4.56 2.20 -1.26 -4.88 119.74 121.23 2qhr s LYS 111 Ca 0.60 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 2qhr s LYS 111 Cb -0.29 -2.05 0.02 0.00 -1.51 0.00 0.00 37.83 34.00 2qhr s LYS 111 CO 0.36 -0.71 -0.07 0.45 -0.36 0.00 0.00 175.35 175.02 2qhr s SER 112 N -2.92 1.75 0.14 1.43 0.15 -0.23 -4.94 113.70 109.07 2qhr s SER 112 Ca 0.62 -0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.80 2qhr s SER 112 Cb -0.15 -0.71 -0.08 0.00 -1.71 0.00 0.00 66.02 63.38 2qhr s SER 112 CO 0.37 -0.07 0.72 -0.89 1.20 0.00 0.00 173.24 174.56 2qhr s THR 113 N 1.30 4.48 0.41 6.45 2.01 -1.26 -1.58 115.64 127.45 2qhr s THR 113 Ca -0.04 1.57 -0.27 0.00 0.31 0.00 0.00 61.69 63.26 2qhr s THR 113 Cb -0.14 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 68.20 2qhr s THR 113 CO -0.03 0.53 1.46 -2.84 -0.69 0.00 0.00 174.62 173.05 2qhr s PRO 114 N -1.11 3.90 -0.16 4.92 0.02 -1.26 -4.48 135.00 136.83 2qhr s PRO 114 Ca 0.34 2.51 -0.10 0.00 0.02 0.00 0.00 61.00 63.77 2qhr s PRO 114 Cb -0.22 -2.81 -0.05 0.00 0.02 0.00 0.00 34.50 31.44 2qhr s PRO 114 CO 0.24 -0.68 0.17 0.99 -0.33 0.00 0.00 177.00 177.39 2qhr s THR 115 N -1.16 5.41 -0.15 0.99 2.01 -0.33 -4.95 115.64 117.47 2qhr s THR 115 Ca 0.57 0.28 -0.04 0.00 0.31 0.00 0.00 61.69 62.82 2qhr s THR 115 Cb -0.45 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2qhr s THR 115 CO 0.60 0.50 -0.02 -0.76 -0.69 0.00 0.00 174.62 174.25 2qhr s LEU 116 N -0.17 3.35 -0.17 4.42 1.43 -1.26 -0.98 118.68 125.31 2qhr s LEU 116 Ca 0.12 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2qhr s LEU 116 Cb -0.12 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.30 2qhr s LEU 116 CO 0.02 0.20 -0.16 -0.89 0.23 0.00 0.00 176.35 175.75 2qhr s THR 117 N 0.16 2.48 -0.07 5.49 2.01 -0.42 -4.98 115.64 120.30 2qhr s THR 117 Ca -0.01 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.23 2qhr s THR 117 Cb -0.13 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 2qhr s THR 117 CO 0.02 0.52 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.53 2qhr s VAL 118 N 1.05 2.05 0.00 3.82 1.01 -1.26 -0.10 120.40 126.98 2qhr s VAL 118 Ca -0.01 -1.05 0.07 0.00 0.00 0.00 0.00 61.98 60.99 2qhr s VAL 118 Cb -0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2qhr s VAL 118 CO -0.05 0.57 -0.22 -0.36 0.00 0.00 0.00 175.10 175.04 2qhr s PHE 119 N -0.01 2.46 0.73 5.22 0.08 -0.03 -4.99 117.98 121.44 2qhr s PHE 119 Ca -0.08 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.53 2qhr s PHE 119 Cb -0.15 -1.49 0.03 0.00 -0.57 0.00 0.00 43.02 40.84 2qhr s PHE 119 CO 0.05 0.12 1.08 -1.25 -0.10 0.00 0.00 175.22 175.12 2qhr s PRO 120 N -1.00 2.64 0.30 0.24 0.04 -1.26 -1.87 135.00 134.10 2qhr s PRO 120 Ca 0.12 0.75 -0.29 0.00 0.04 0.00 0.00 61.00 61.62 2qhr s PRO 120 Cb -0.10 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 2qhr s PRO 120 CO 0.02 -1.25 1.23 -2.30 0.04 0.00 0.00 177.00 174.73 2qhr n PRO 121 N -3.20 1.85 -1.76 0.56 -0.02 -1.24 -4.81 135.00 126.37 2qhr n PRO 121 Ca 0.07 0.65 -0.32 0.00 -2.02 0.00 0.00 63.50 61.88 2qhr n PRO 121 Cb 0.55 -2.18 0.04 0.00 -0.02 0.00 0.00 33.50 31.89 2qhr n PRO 121 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qhr s SER 122 N -0.25 5.28 0.44 2.55 1.04 -1.26 -4.90 113.70 116.60 2qhr s SER 122 Ca 0.59 1.86 0.19 0.00 0.48 0.00 0.00 55.95 59.08 2qhr s SER 122 Cb -0.63 -2.53 1.04 0.00 0.10 0.00 0.00 66.02 63.99 2qhr s SER 122 CO 0.59 -1.51 1.94 0.77 0.98 0.00 0.00 173.24 176.01 2qhr h SER 123 N -0.10 0.00 -0.53 7.02 4.64 -1.98 -1.07 113.55 121.54 2qhr h SER 123 Ca -0.46 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 2qhr h SER 123 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2qhr h SER 123 CO 0.55 0.24 0.18 -0.08 -0.87 0.00 0.00 176.83 176.86 2qhr h GLU 124 N 0.00 0.81 -0.23 4.77 4.81 -1.98 -1.60 114.58 121.15 2qhr h GLU 124 Ca -0.00 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 58.90 2qhr h GLU 124 Cb 0.51 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2qhr h GLU 124 CO 0.03 0.73 -0.51 1.49 -0.73 0.00 0.00 179.01 180.02 2qhr h GLU 125 N 0.72 0.75 -0.66 1.92 4.81 -1.77 -3.18 114.58 117.16 2qhr h GLU 125 Ca 0.17 -0.50 0.12 0.00 -0.13 0.00 0.00 59.36 59.02 2qhr h GLU 125 Cb 0.24 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 2qhr h GLU 125 CO -0.01 1.13 0.44 -0.07 -0.73 0.00 0.00 179.01 179.77 2qhr h LEU 126 N 0.48 0.37 -1.48 1.64 3.38 -0.96 -1.19 115.31 117.55 2qhr h LEU 126 Ca 0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2qhr h LEU 126 Cb 1.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2qhr h LEU 126 CO 0.11 0.21 -0.08 0.50 0.09 0.00 0.00 178.44 179.27 2qhr h LYS 127 N 0.40 0.24 -0.17 1.13 3.64 -1.27 -0.65 116.57 119.90 2qhr h LYS 127 Ca 0.31 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2qhr h LYS 127 Cb 0.68 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2qhr h LYS 127 CO -0.09 0.33 0.00 0.39 -2.27 0.00 0.00 179.45 177.81 2qhr n GLU 128 N -4.32 0.99 -1.66 1.90 1.02 -0.46 -4.88 120.64 113.23 2qhr n GLU 128 Ca -0.01 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 2qhr n GLU 128 Cb 0.23 -1.08 -0.06 0.00 -0.02 0.00 0.00 31.44 30.51 2qhr n GLU 128 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qhr n ASN 129 N -0.42 -4.97 -4.38 1.62 3.02 -0.25 -5.02 115.26 104.86 2qhr n ASN 129 Ca 0.00 0.32 -0.27 0.00 -0.03 0.00 0.00 54.58 54.60 2qhr n ASN 129 Cb 0.04 -3.96 -0.12 0.00 -0.61 0.00 0.00 39.78 35.13 2qhr n ASN 129 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qhr s LYS 130 N -3.71 1.38 -0.09 3.52 1.02 -1.13 -2.11 119.74 118.62 2qhr s LYS 130 Ca 0.00 -1.38 -0.03 0.00 0.02 0.00 0.00 55.97 54.57 2qhr s LYS 130 Cb 0.00 -1.74 0.05 0.00 -0.52 0.00 0.00 37.83 35.62 2qhr s LYS 130 CO 0.00 0.39 0.16 0.00 -0.92 0.00 0.00 175.35 174.99 2qhr s ALA 131 N -1.38 -0.17 -0.27 5.17 0.00 0.37 -2.80 121.76 122.68 2qhr s ALA 131 Ca 0.15 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 2qhr s ALA 131 Cb -0.09 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.22 2qhr s ALA 131 CO 0.07 -0.56 0.02 0.99 0.00 0.00 0.00 175.76 176.28 2qhr s THR 132 N 2.28 3.60 0.10 0.00 2.01 -1.26 0.50 115.64 122.88 2qhr s THR 132 Ca 0.03 -0.70 -0.23 0.00 0.31 0.00 0.00 61.69 61.09 2qhr s THR 132 Cb -0.12 -2.80 -0.07 0.00 0.01 0.00 0.00 72.50 69.52 2qhr s THR 132 CO -0.06 0.19 0.70 -0.76 -0.69 0.00 0.00 174.62 174.01 2qhr s LEU 133 N 1.46 4.54 -0.11 4.42 1.02 0.11 -3.70 118.68 126.41 2qhr s LEU 133 Ca 0.03 1.47 0.02 0.00 0.02 0.00 0.00 54.13 55.66 2qhr s LEU 133 Cb -0.16 -3.15 -0.01 0.00 0.02 0.00 0.00 46.19 42.89 2qhr s LEU 133 CO -0.00 0.18 -0.17 -0.69 0.02 0.00 0.00 176.35 175.69 2qhr s VAL 134 N -0.85 2.67 -0.21 -1.59 1.01 -0.78 -1.22 120.40 119.43 2qhr s VAL 134 Ca 0.34 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.53 2qhr s VAL 134 Cb -0.21 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.12 2qhr s VAL 134 CO 0.23 0.54 -0.16 0.00 0.00 0.00 0.00 175.10 175.71 2qhr s LEU 136 N 1.24 3.49 -0.27 0.00 1.43 0.85 -1.23 118.68 124.18 2qhr s LEU 136 Ca -0.01 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2qhr s LEU 136 Cb -0.16 -1.93 0.05 0.00 0.03 0.00 0.00 46.19 44.18 2qhr s LEU 136 CO -0.10 -0.00 -0.05 -0.63 0.23 0.00 0.00 176.35 175.80 2qhr s ILE 137 N 1.42 2.71 0.34 -0.59 1.01 -0.39 -1.30 121.20 124.41 2qhr s ILE 137 Ca 0.05 -1.34 0.05 0.00 0.00 0.00 0.00 60.65 59.41 2qhr s ILE 137 Cb -0.15 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 2qhr s ILE 137 CO 0.04 0.02 0.20 -0.94 0.00 0.00 0.00 174.94 174.25 2qhr s SER 138 N 1.23 1.90 -1.51 3.58 1.04 -0.15 -1.05 113.70 118.75 2qhr s SER 138 Ca -0.04 -1.67 -0.04 0.00 0.48 0.00 0.00 55.95 54.67 2qhr s SER 138 Cb -0.19 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2qhr s SER 138 CO -0.03 -0.97 0.54 0.59 0.98 0.00 0.00 173.24 174.34 2qhr n ASN 139 N -1.27 -5.94 -4.60 7.02 5.03 -1.09 -1.18 115.26 113.23 2qhr n ASN 139 Ca 0.02 -0.26 -0.24 0.00 0.87 0.00 0.00 54.58 54.97 2qhr n ASN 139 Cb 0.64 -4.77 -0.08 0.00 -1.02 0.00 0.00 39.78 34.55 2qhr n ASN 139 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2qhr s PHE 140 N -3.14 2.64 -0.28 3.10 -0.71 -1.21 -4.03 117.98 114.33 2qhr s PHE 140 Ca 0.27 -0.23 -0.19 0.00 -1.04 0.00 0.00 56.93 55.73 2qhr s PHE 140 Cb -0.12 -1.21 0.12 0.00 -1.21 0.00 0.00 43.02 40.60 2qhr s PHE 140 CO 0.33 0.60 0.91 0.45 -1.34 0.00 0.00 175.22 176.16 2qhr s SER 141 N -3.37 -0.61 1.32 1.98 0.15 -0.62 -0.69 113.70 111.87 2qhr s SER 141 Ca 0.29 1.04 -0.22 0.00 0.70 0.00 0.00 55.95 57.76 2qhr s SER 141 Cb -0.07 1.18 0.33 0.00 -1.71 0.00 0.00 66.02 65.74 2qhr s SER 141 CO 0.18 -0.17 1.01 -0.81 1.20 0.00 0.00 173.24 174.65 2qhr n PRO 142 N 3.34 -3.66 0.03 5.44 -0.05 -1.26 -1.07 135.00 137.76 2qhr n PRO 142 Ca -0.17 -1.64 0.13 0.00 -0.05 0.00 0.00 63.50 61.76 2qhr n PRO 142 Cb 0.57 -1.70 0.34 0.00 -0.05 0.00 0.00 33.50 32.66 2qhr n PRO 142 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 2qhr n SER 143 N -5.15 0.46 -4.66 3.54 3.41 -1.26 -4.83 113.62 105.13 2qhr n SER 143 Ca 0.15 0.13 -0.43 0.00 -0.26 0.00 0.00 58.87 58.46 2qhr n SER 143 Cb 0.59 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 2qhr n SER 143 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2qhr s GLY 144 N -3.23 1.62 0.06 5.00 0.00 -1.26 -4.77 107.32 104.74 2qhr s GLY 144 Ca 0.10 0.31 0.02 0.00 0.00 0.00 0.00 44.72 45.16 2qhr s GLY 144 CO 0.65 2.41 -0.08 -1.34 0.00 0.00 0.00 173.10 174.74 2qhr s VAL 145 N 3.54 0.62 -0.08 1.40 -7.23 -1.26 -4.42 120.40 112.96 2qhr s VAL 145 Ca 0.51 -1.30 0.04 0.00 -1.81 0.00 0.00 61.98 59.42 2qhr s VAL 145 Cb -0.19 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.85 2qhr s VAL 145 CO 0.13 -0.49 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.35 2qhr s THR 146 N -1.92 1.67 -0.12 5.32 2.01 -0.02 -4.97 115.64 117.62 2qhr s THR 146 Ca -0.04 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.17 2qhr s THR 146 Cb -0.06 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 2qhr s THR 146 CO -0.01 0.47 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.54 2qhr s VAL 147 N 0.36 2.69 0.06 3.82 1.01 -1.26 -0.61 120.40 126.47 2qhr s VAL 147 Ca -0.14 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2qhr s VAL 147 Cb -0.16 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2qhr s VAL 147 CO 0.06 0.54 -0.08 0.00 0.00 0.00 0.00 175.10 175.62 2qhr s ALA 148 N 0.32 0.71 0.15 5.51 0.00 -0.41 -5.01 121.76 123.02 2qhr s ALA 148 Ca -0.13 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 50.99 2qhr s ALA 148 Cb -0.17 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2qhr s ALA 148 CO 0.07 -0.07 -0.16 -1.58 0.00 0.00 0.00 175.76 174.01 2qhr s TRP 149 N -1.98 2.52 0.10 0.00 0.52 -1.26 -1.33 118.94 117.51 2qhr s TRP 149 Ca -0.04 -0.27 0.06 0.00 0.02 0.00 0.00 56.10 55.87 2qhr s TRP 149 Cb -0.06 -1.29 -0.03 0.00 -1.15 0.00 0.00 33.47 30.94 2qhr s TRP 149 CO -0.01 0.45 -0.15 0.15 0.02 0.00 0.00 176.95 177.41 2qhr s LYS 150 N -2.47 0.95 -0.09 4.98 1.02 -0.42 -0.88 119.74 122.84 2qhr s LYS 150 Ca 0.21 -1.12 0.03 0.00 0.02 0.00 0.00 55.97 55.11 2qhr s LYS 150 Cb -0.09 -0.92 0.00 0.00 -0.52 0.00 0.00 37.83 36.30 2qhr s LYS 150 CO 0.12 0.19 -0.21 0.00 -0.92 0.00 0.00 175.35 174.53 2qhr s ALA 151 N -1.71 1.95 -0.27 5.17 0.00 0.10 -1.21 121.76 125.80 2qhr s ALA 151 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2qhr s ALA 151 Cb -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.28 2qhr s ALA 151 CO 0.03 0.23 0.00 0.09 0.00 0.00 0.00 175.76 176.11 2qhr n ASN 152 N 3.63 -1.65 0.00 0.00 3.02 0.66 -1.22 115.26 119.69 2qhr n ASN 152 Ca -0.20 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2qhr n ASN 152 Cb 0.53 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 2qhr n ASN 152 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qhr n GLY 153 N -0.53 0.73 3.63 7.41 0.00 -1.26 -5.01 105.19 110.16 2qhr n GLY 153 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2qhr n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qhr s THR 154 N -2.54 3.97 0.60 2.61 2.01 -0.36 -5.00 115.64 116.94 2qhr s THR 154 Ca 0.00 -0.40 -0.20 0.00 0.31 0.00 0.00 61.69 61.41 2qhr s THR 154 Cb 0.00 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 2qhr s THR 154 CO 0.00 0.58 1.33 -2.84 -0.69 0.00 0.00 174.62 173.00 2qhr s PRO 155 N -0.90 2.80 -0.10 4.92 0.02 -1.26 0.02 135.00 140.50 2qhr s PRO 155 Ca 0.13 2.15 0.02 0.00 0.02 0.00 0.00 61.00 63.32 2qhr s PRO 155 Cb -0.11 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 2qhr s PRO 155 CO 0.02 -1.43 -0.18 0.42 -0.33 0.00 0.00 177.00 175.51 2qhr s ILE 156 N -1.35 2.67 -0.25 2.83 -1.09 -0.06 -4.71 121.20 119.25 2qhr s ILE 156 Ca 0.78 -0.82 -0.04 0.00 -2.23 0.00 0.00 60.65 58.34 2qhr s ILE 156 Cb -0.39 -2.07 -0.14 0.00 -1.58 0.00 0.00 42.46 38.29 2qhr s ILE 156 CO 0.43 0.55 -0.26 0.41 -1.23 0.00 0.00 174.94 174.84 2qhr n THR 157 N 3.24 1.38 -3.31 2.92 -1.04 -1.26 -4.48 114.28 111.73 2qhr n THR 157 Ca -0.18 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.05 61.07 2qhr n THR 157 Cb 0.53 -1.56 -0.04 0.00 -1.82 0.00 0.00 70.33 67.44 2qhr n THR 157 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2qhr s GLN 158 N -2.47 3.73 -0.37 -2.82 -1.52 -1.26 -4.10 119.66 110.84 2qhr s GLN 158 Ca -0.34 0.19 0.00 0.00 -1.95 0.00 0.00 55.36 53.26 2qhr s GLN 158 Cb 0.11 -2.61 0.00 0.00 -0.22 0.00 0.00 33.01 30.29 2qhr s GLN 158 CO 0.51 0.22 0.00 0.41 -0.25 0.00 0.00 175.29 176.18 2qhr n GLY 159 N -0.63 0.55 3.74 3.09 0.00 -1.26 -4.79 105.19 105.89 2qhr n GLY 159 Ca -0.00 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2qhr n GLY 159 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qhr s VAL 160 N -1.76 5.25 -0.08 1.61 1.01 -1.26 -0.55 120.40 124.63 2qhr s VAL 160 Ca 0.00 0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2qhr s VAL 160 Cb 0.00 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2qhr s VAL 160 CO 0.00 0.40 -0.07 -1.81 0.00 0.00 0.00 175.10 173.62 2qhr s ASP 161 N 0.28 1.69 -0.04 3.32 1.01 -0.78 -5.00 116.67 117.15 2qhr s ASP 161 Ca 0.20 -0.23 0.03 0.00 0.71 0.00 0.00 52.55 53.26 2qhr s ASP 161 Cb -0.14 -0.68 0.00 0.00 1.01 0.00 0.00 42.92 43.11 2qhr s ASP 161 CO 0.07 -0.07 -0.12 -0.89 0.21 0.00 0.00 175.17 174.37 2qhr s THR 162 N 1.27 1.01 0.63 -1.27 2.01 -1.26 -0.36 115.64 117.67 2qhr s THR 162 Ca -0.04 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 2qhr s THR 162 Cb -0.14 -0.89 0.03 0.00 0.01 0.00 0.00 72.50 71.51 2qhr s THR 162 CO -0.03 0.31 0.94 -0.94 -0.69 0.00 0.00 174.62 174.21 2qhr s SER 163 N 0.21 5.28 0.62 3.53 1.04 0.06 -5.00 113.70 119.43 2qhr s SER 163 Ca -0.05 0.57 -0.18 0.00 0.48 0.00 0.00 55.95 56.78 2qhr s SER 163 Cb -0.10 -1.43 -0.02 0.00 0.10 0.00 0.00 66.02 64.57 2qhr s SER 163 CO 0.01 -1.27 1.17 0.20 0.98 0.00 0.00 173.24 174.33 2qhr s ASN 164 N -4.39 5.15 0.41 7.02 0.01 -1.26 -4.69 114.94 117.18 2qhr s ASN 164 Ca 0.56 2.25 -0.24 0.00 -0.71 0.00 0.00 52.86 54.73 2qhr s ASN 164 Cb -0.11 -2.58 -0.09 0.00 0.41 0.00 0.00 41.25 38.88 2qhr s ASN 164 CO 0.45 -1.61 1.07 -2.16 -1.51 0.00 0.00 177.10 173.33 2qhr s PRO 165 N -3.57 4.09 0.00 -0.60 0.04 -1.26 -4.70 135.00 129.00 2qhr s PRO 165 Ca 0.74 1.55 0.04 0.00 0.04 0.00 0.00 61.00 63.36 2qhr s PRO 165 Cb -0.26 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 2qhr s PRO 165 CO 0.35 -0.21 -0.12 0.99 0.04 0.00 0.00 177.00 178.05 2qhr s THR 166 N -1.65 0.96 0.37 1.26 2.01 0.45 -4.91 115.64 114.12 2qhr s THR 166 Ca 0.59 -0.63 -0.27 0.00 0.31 0.00 0.00 61.69 61.68 2qhr s THR 166 Cb -0.23 -0.82 -0.10 0.00 0.01 0.00 0.00 72.50 71.36 2qhr s THR 166 CO 0.28 0.18 1.33 -0.75 -0.69 0.00 0.00 174.62 174.98 2qhr s LYS 167 N -0.51 4.15 -0.25 4.92 2.47 -1.26 -1.15 119.74 128.11 2qhr s LYS 167 Ca 0.03 2.24 -0.03 0.00 -1.56 0.00 0.00 55.97 56.66 2qhr s LYS 167 Cb -0.05 -2.92 0.10 0.00 -1.46 0.00 0.00 37.83 33.50 2qhr s LYS 167 CO -0.00 -0.37 0.20 -2.00 0.16 0.00 0.00 175.35 173.34 2qhr s GLU 168 N -2.03 0.21 7.63 4.03 2.12 0.55 -4.83 118.70 126.37 2qhr s GLU 168 Ca 0.53 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.73 2qhr s GLU 168 Cb -0.40 -1.13 0.00 0.00 0.26 0.00 0.00 34.13 32.86 2qhr s GLU 168 CO 0.53 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 2qhr n GLY 169 N 5.29 3.56 1.10 -1.50 0.00 -1.26 -1.74 105.19 110.64 2qhr n GLY 169 Ca -0.05 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.96 2qhr n GLY 169 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qhr n ASN 170 N 4.69 3.19 0.00 1.61 6.94 -1.26 -4.92 115.26 125.51 2qhr n ASN 170 Ca 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 2qhr n ASN 170 Cb 0.00 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 2qhr n ASN 170 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2qhr n LYS 171 N 1.16 3.28 -4.36 -3.83 5.02 -0.71 -4.97 118.16 113.75 2qhr n LYS 171 Ca 0.20 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.30 2qhr n LYS 171 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.42 2qhr n LYS 171 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2qhr s PHE 172 N 0.72 1.67 0.07 2.13 0.08 0.14 -0.33 117.98 122.44 2qhr s PHE 172 Ca 0.00 -0.87 -0.09 0.00 0.12 0.00 0.00 56.93 56.09 2qhr s PHE 172 Cb 0.00 -0.97 0.00 0.00 -0.57 0.00 0.00 43.02 41.48 2qhr s PHE 172 CO 0.00 0.04 0.19 0.00 -0.10 0.00 0.00 175.22 175.35 2qhr s MET 173 N -3.83 0.77 0.26 0.44 0.23 -0.30 -2.67 119.30 114.20 2qhr s MET 173 Ca 0.29 -0.82 -0.17 0.00 -1.03 0.00 0.00 55.69 53.96 2qhr s MET 173 Cb 0.05 0.32 0.01 0.00 -1.53 0.00 0.00 34.83 33.68 2qhr s MET 173 CO 0.10 -0.24 0.60 0.00 -2.03 0.00 0.00 175.02 173.45 2qhr s ALA 174 N -3.29 -0.75 0.02 3.16 0.00 -0.22 -0.41 121.76 120.27 2qhr s ALA 174 Ca 0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 2qhr s ALA 174 Cb 0.02 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 24.09 2qhr s ALA 174 CO -0.08 -0.94 0.06 -1.54 0.00 0.00 0.00 175.76 173.26 2qhr s SER 175 N -2.96 0.15 0.00 0.00 1.04 -1.26 -1.26 113.70 109.40 2qhr s SER 175 Ca 0.16 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.21 2qhr s SER 175 Cb -0.03 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 2qhr s SER 175 CO 0.07 -0.37 -0.04 -0.55 0.98 0.00 0.00 173.24 173.33 2qhr s SER 176 N -1.58 0.42 -0.05 7.02 0.15 -0.37 -0.76 113.70 118.54 2qhr s SER 176 Ca -0.13 -0.14 0.04 0.00 0.70 0.00 0.00 55.95 56.43 2qhr s SER 176 Cb -0.07 -0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.21 2qhr s SER 176 CO -0.01 -0.01 -0.19 -0.36 1.20 0.00 0.00 173.24 173.88 2qhr s PHE 177 N -0.30 1.88 -0.24 3.44 0.08 0.51 -1.00 117.98 122.36 2qhr s PHE 177 Ca -0.01 -0.58 -0.04 0.00 0.12 0.00 0.00 56.93 56.42 2qhr s PHE 177 Cb -0.03 -1.27 0.00 0.00 -0.57 0.00 0.00 43.02 41.16 2qhr s PHE 177 CO -0.00 -0.21 -0.03 -1.17 -0.10 0.00 0.00 175.22 173.71 2qhr s LEU 178 N 0.09 3.09 -0.19 -0.37 2.96 -0.35 -1.87 118.68 122.03 2qhr s LEU 178 Ca -0.06 -0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 53.15 2qhr s LEU 178 Cb -0.13 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2qhr s LEU 178 CO 0.03 -0.07 0.33 -1.00 -1.32 0.00 0.00 176.35 174.32 2qhr s HIS 179 N 1.44 3.40 0.23 5.38 3.76 0.29 -0.71 115.29 129.08 2qhr s HIS 179 Ca 0.04 0.56 0.02 0.00 -0.15 0.00 0.00 55.06 55.53 2qhr s HIS 179 Cb -0.15 -2.43 -0.05 0.00 1.11 0.00 0.00 32.58 31.06 2qhr s HIS 179 CO -0.03 0.09 0.06 -0.51 -0.85 0.00 0.00 174.74 173.49 2qhr s LEU 180 N 0.98 1.84 0.65 0.89 1.43 0.18 -4.59 118.68 120.06 2qhr s LEU 180 Ca 0.17 -1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 51.86 2qhr s LEU 180 Cb -0.14 -0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.04 2qhr s LEU 180 CO 0.06 -0.66 1.04 0.42 0.23 0.00 0.00 176.35 177.45 2qhr s THR 181 N -3.70 4.17 0.30 5.49 -4.23 -1.26 -0.48 115.64 115.92 2qhr s THR 181 Ca 0.32 0.65 -0.02 0.00 -1.18 0.00 0.00 61.69 61.47 2qhr s THR 181 Cb 0.07 -3.69 0.25 0.00 1.34 0.00 0.00 72.50 70.47 2qhr s THR 181 CO 0.10 -0.89 1.95 0.28 -0.54 0.00 0.00 174.62 175.51 2qhr h SER 182 N -0.43 0.92 -0.62 3.99 0.02 -1.66 -2.20 113.55 113.57 2qhr h SER 182 Ca -0.45 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 2qhr h SER 182 Cb 1.22 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 2qhr h SER 182 CO 0.63 0.69 0.17 0.44 -1.14 0.00 0.00 176.83 177.62 2qhr h ASP 183 N 1.07 0.93 -0.85 3.07 3.32 -1.94 -1.71 116.42 120.30 2qhr h ASP 183 Ca 0.28 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2qhr h ASP 183 Cb -0.07 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.20 2qhr h ASP 183 CO -0.06 0.91 0.56 1.56 -1.72 0.00 0.00 179.24 180.49 2qhr h GLN 184 N 0.90 1.12 -0.29 3.56 4.20 -1.85 -0.74 115.11 122.02 2qhr h GLN 184 Ca 0.20 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 2qhr h GLN 184 Cb 0.33 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2qhr h GLN 184 CO -0.00 0.74 0.10 2.35 -0.67 0.00 0.00 178.83 181.35 2qhr h TRP 185 N 1.15 0.46 0.00 2.96 2.91 -1.17 -2.84 115.95 119.42 2qhr h TRP 185 Ca 0.31 -0.04 -0.07 0.00 1.13 0.00 0.00 58.89 60.22 2qhr h TRP 185 Cb -0.13 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.38 2qhr h TRP 185 CO -0.01 0.48 -0.33 0.00 -1.03 0.00 0.00 178.44 177.54 2qhr h ARG 186 N 0.32 0.00 0.00 2.65 3.08 -1.14 -3.26 114.38 116.02 2qhr h ARG 186 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2qhr h ARG 186 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2qhr h ARG 186 CO -0.00 0.33 -0.44 -1.13 -1.07 0.00 0.00 179.97 177.66 2qhr n SER 187 N -3.92 0.47 -4.92 7.04 3.41 -0.30 -4.90 113.62 110.50 2qhr n SER 187 Ca -0.02 -0.04 -0.25 0.00 -0.26 0.00 0.00 58.87 58.30 2qhr n SER 187 Cb 0.40 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 2qhr n SER 187 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2qhr s HIS 188 N -3.04 3.42 0.13 7.33 3.76 -1.19 -5.03 115.29 120.68 2qhr s HIS 188 Ca 0.10 0.07 0.03 0.00 -0.15 0.00 0.00 55.06 55.11 2qhr s HIS 188 Cb 0.17 -1.62 -0.14 0.00 1.11 0.00 0.00 32.58 32.09 2qhr s HIS 188 CO 0.68 0.51 1.29 -0.91 -0.85 0.00 0.00 174.74 175.45 2qhr h ASN 189 N 2.04 0.20 -5.00 1.40 2.35 -1.90 -3.41 115.58 111.26 2qhr h ASN 189 Ca -0.49 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.05 2qhr h ASN 189 Cb 1.20 -0.06 -0.12 0.00 0.05 0.00 0.00 38.32 39.39 2qhr h ASN 189 CO 0.67 1.08 0.21 -0.94 -1.65 0.00 0.00 177.43 176.80 2qhr s SER 190 N -6.90 -0.57 0.15 5.81 1.04 -1.26 -4.41 113.70 107.56 2qhr s SER 190 Ca -0.02 0.00 0.08 0.00 0.48 0.00 0.00 55.95 56.50 2qhr s SER 190 Cb 0.09 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 2qhr s SER 190 CO 0.84 -0.97 -0.18 -0.36 0.98 0.00 0.00 173.24 173.55 2qhr s PHE 191 N -3.73 1.76 -0.04 5.02 0.08 -0.43 -0.25 117.98 120.39 2qhr s PHE 191 Ca 0.01 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.59 2qhr s PHE 191 Cb -0.01 -0.89 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 2qhr s PHE 191 CO -0.13 0.29 -0.04 0.99 -0.10 0.00 0.00 175.22 176.24 2qhr s THR 192 N -1.98 0.46 -0.16 0.64 2.01 -0.35 -0.67 115.64 115.60 2qhr s THR 192 Ca 0.14 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 61.90 2qhr s THR 192 Cb -0.06 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 2qhr s THR 192 CO 0.06 0.21 0.39 0.00 -0.69 0.00 0.00 174.62 174.59 2qhr s GLN 194 N 0.79 1.74 -0.10 0.00 0.74 -0.44 -1.23 119.66 121.16 2qhr s GLN 194 Ca 0.21 -0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.23 2qhr s GLN 194 Cb -0.14 -1.51 0.01 0.00 1.10 0.00 0.00 33.01 32.47 2qhr s GLN 194 CO 0.07 -0.04 -0.15 0.08 -0.55 0.00 0.00 175.29 174.70 2qhr s VAL 195 N 0.90 1.47 -0.16 1.34 1.01 0.14 -1.29 120.40 123.81 2qhr s VAL 195 Ca -0.10 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 2qhr s VAL 195 Cb -0.15 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2qhr s VAL 195 CO 0.01 0.43 0.23 -0.89 0.00 0.00 0.00 175.10 174.88 2qhr s THR 196 N 0.95 5.35 -0.21 3.92 2.01 0.22 0.02 115.64 127.90 2qhr s THR 196 Ca -0.08 0.41 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 2qhr s THR 196 Cb -0.15 -3.56 0.11 0.00 0.01 0.00 0.00 72.50 68.91 2qhr s THR 196 CO -0.01 0.44 0.29 -2.28 -0.69 0.00 0.00 174.62 172.37 2qhr s HIS 197 N 0.22 -0.51 -1.40 4.92 5.04 -0.47 -0.84 115.29 122.25 2qhr s HIS 197 Ca 0.14 0.54 -0.07 0.00 -1.54 0.00 0.00 55.06 54.14 2qhr s HIS 197 Cb -0.12 -0.18 0.04 0.00 0.04 0.00 0.00 32.58 32.36 2qhr s HIS 197 CO 0.02 -0.62 0.89 0.39 -2.34 0.00 0.00 174.74 173.08 2qhr n GLU 198 N 5.34 -5.61 0.00 2.88 -0.58 -1.26 -0.99 120.64 120.42 2qhr n GLU 198 Ca -0.05 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 2qhr n GLU 198 Cb 0.50 -5.42 0.00 0.00 -0.57 0.00 0.00 31.44 25.94 2qhr n GLU 198 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qhr n GLY 199 N -1.64 2.27 3.97 0.62 0.00 -1.26 -5.03 105.19 104.11 2qhr n GLY 199 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 2qhr n GLY 199 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qhr s ASP 200 N -2.82 6.31 -0.03 1.61 1.01 -0.16 -5.12 116.67 117.47 2qhr s ASP 200 Ca 0.00 0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.36 2qhr s ASP 200 Cb 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 42.92 42.08 2qhr s ASP 200 CO 0.00 -0.07 -0.10 -0.89 0.21 0.00 0.00 175.17 174.32 2qhr s THR 201 N -1.97 0.91 -0.10 -1.27 2.01 -1.26 -1.37 115.64 112.58 2qhr s THR 201 Ca 0.34 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.95 2qhr s THR 201 Cb -0.09 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.62 2qhr s THR 201 CO 0.29 0.28 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.64 2qhr s VAL 202 N 0.28 1.62 0.06 3.82 1.01 0.10 -4.96 120.40 122.32 2qhr s VAL 202 Ca -0.05 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.29 2qhr s VAL 202 Cb -0.10 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2qhr s VAL 202 CO 0.01 0.46 -0.23 -1.61 0.00 0.00 0.00 175.10 173.73 2qhr s GLU 203 N 0.80 1.83 -0.02 2.72 2.02 -1.26 0.29 118.70 125.07 2qhr s GLU 203 Ca -0.10 -1.11 -0.00 0.00 0.02 0.00 0.00 54.97 53.78 2qhr s GLU 203 Cb -0.16 -2.04 0.03 0.00 0.10 0.00 0.00 34.13 32.06 2qhr s GLU 203 CO 0.01 0.51 0.04 0.21 0.02 0.00 0.00 175.26 176.05 2qhr s LYS 204 N -1.47 -0.04 0.28 1.61 2.47 -0.37 -5.01 119.74 117.21 2qhr s LYS 204 Ca 0.13 0.23 0.10 0.00 -1.56 0.00 0.00 55.97 54.87 2qhr s LYS 204 Cb -0.10 -0.28 -0.05 0.00 -1.46 0.00 0.00 37.83 35.94 2qhr s LYS 204 CO 0.04 -0.19 -0.05 -1.12 0.16 0.00 0.00 175.35 174.18 2qhr s SER 205 N 1.24 4.25 0.07 1.43 0.01 -1.26 -1.10 113.70 118.34 2qhr s SER 205 Ca -0.07 -0.79 -0.08 0.00 1.31 0.00 0.00 55.95 56.32 2qhr s SER 205 Cb -0.13 -0.66 -0.00 0.00 0.21 0.00 0.00 66.02 65.44 2qhr s SER 205 CO -0.03 -0.02 0.17 -1.48 0.41 0.00 0.00 173.24 172.29 2qhr s LEU 206 N -3.64 1.49 0.02 2.44 0.05 0.16 -4.98 118.68 114.22 2qhr s LEU 206 Ca 0.31 -0.60 0.05 0.00 0.05 0.00 0.00 54.13 53.94 2qhr s LEU 206 Cb -0.05 0.95 -0.02 0.00 -2.05 0.00 0.00 46.19 45.02 2qhr s LEU 206 CO 0.19 -0.67 -0.16 -0.55 -0.55 0.00 0.00 176.35 174.61 2qhr s SER 207 N -2.66 1.86 0.14 1.48 0.15 -1.26 -1.31 113.70 112.10 2qhr s SER 207 Ca 0.02 -0.38 0.17 0.00 0.70 0.00 0.00 55.95 56.46 2qhr s SER 207 Cb 0.03 -0.17 0.76 0.00 -1.71 0.00 0.00 66.02 64.94 2qhr s SER 207 CO -0.09 0.13 1.54 -2.65 1.20 0.00 0.00 173.24 173.36 2qhr n PRO 208 N 2.26 0.09 -1.76 5.44 -0.02 -1.26 -4.90 135.00 134.85 2qhr n PRO 208 Ca -0.16 0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 61.41 2qhr n PRO 208 Cb 0.54 -1.70 0.14 0.00 -0.02 0.00 0.00 33.50 32.46 2qhr n PRO 208 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qhr s ALA 209 N -3.19 2.16 0.00 3.55 0.00 -1.26 -5.08 121.76 117.94 2qhr s ALA 209 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2qhr s ALA 209 Cb 0.08 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2qhr s ALA 209 CO 0.28 -2.20 0.00 -1.91 0.00 0.00 0.00 175.76 171.94