#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3u s LYS 3 N 0.00 4.54 0.10 0.00 2.20 -1.26 -5.03 119.74 120.30 2b3u s LYS 3 Ca 0.00 1.92 -0.12 0.00 -0.36 0.00 0.00 55.97 57.41 2b3u s LYS 3 Cb 0.00 -3.17 0.02 0.00 -1.51 0.00 0.00 37.83 33.17 2b3u s LYS 3 CO 0.00 0.06 0.30 -0.59 -0.36 0.00 0.00 175.35 174.75 2b3u s PHE 4 N -0.94 -0.03 0.03 4.03 -0.12 -1.26 -4.14 117.98 115.56 2b3u s PHE 4 Ca 0.47 -0.34 0.03 0.00 -0.05 0.00 0.00 56.93 57.04 2b3u s PHE 4 Cb -0.34 0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 2b3u s PHE 4 CO 0.43 -0.62 -0.09 0.14 -0.05 0.00 0.00 175.22 175.03 2b3u s VAL 5 N -3.79 0.66 -0.13 -2.49 -7.23 -0.65 -4.97 120.40 101.81 2b3u s VAL 5 Ca 0.04 -0.89 -0.04 0.00 -1.81 0.00 0.00 61.98 59.28 2b3u s VAL 5 Cb 0.03 -0.66 -0.03 0.00 0.56 0.00 0.00 36.38 36.28 2b3u s VAL 5 CO -0.11 -0.18 0.02 -0.63 -0.31 0.00 0.00 175.10 173.89 2b3u s ILE 6 N -0.98 4.48 0.15 -0.62 -1.09 -1.26 -1.31 121.20 120.56 2b3u s ILE 6 Ca -0.04 -0.17 -0.20 0.00 -2.23 0.00 0.00 60.65 58.01 2b3u s ILE 6 Cb -0.08 -2.94 0.06 0.00 -1.58 0.00 0.00 42.46 37.91 2b3u s ILE 6 CO 0.01 0.55 0.53 0.00 -1.23 0.00 0.00 174.94 174.79 2b3u s ARG 7 N -0.32 1.21 0.51 2.79 1.70 -0.65 -4.98 118.95 119.21 2b3u s ARG 7 Ca 0.07 -0.57 -0.22 0.00 -0.47 0.00 0.00 55.73 54.54 2b3u s ARG 7 Cb -0.12 0.55 -0.06 0.00 -0.57 0.00 0.00 34.95 34.75 2b3u s ARG 7 CO 0.02 -0.51 1.26 -2.14 -1.08 0.00 0.00 175.30 172.85 2b3u s PRO 8 N -3.77 3.40 0.58 3.89 0.02 -1.26 -0.40 135.00 137.45 2b3u s PRO 8 Ca 0.02 2.00 -0.16 0.00 0.02 0.00 0.00 61.00 62.88 2b3u s PRO 8 Cb -0.00 -2.30 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 2b3u s PRO 8 CO -0.12 -0.91 1.06 0.00 -0.33 0.00 0.00 177.00 176.69 2b3u s ALA 9 N -1.43 2.76 0.41 -1.55 0.00 0.36 -4.75 121.76 117.55 2b3u s ALA 9 Ca 0.68 0.43 0.04 0.00 0.00 0.00 0.00 51.96 53.12 2b3u s ALA 9 Cb -0.34 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 2b3u s ALA 9 CO 0.41 -0.74 0.05 0.95 0.00 0.00 0.00 175.76 176.43 2b3u s THR 10 N -2.37 1.26 0.52 0.00 -4.23 -1.26 -4.90 115.64 104.65 2b3u s THR 10 Ca 0.64 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.42 2b3u s THR 10 Cb -0.16 -2.60 0.43 0.00 1.34 0.00 0.00 72.50 71.51 2b3u s THR 10 CO 0.34 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.36 2b3u h ALA 11 N 1.78 2.61 0.00 3.99 0.00 -1.97 0.89 119.26 126.55 2b3u h ALA 11 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2b3u h ALA 11 Cb 1.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2b3u h ALA 11 CO 0.71 -0.82 0.00 0.00 0.00 0.00 0.00 179.25 179.14 2b3u n ALA 12 N -2.66 1.73 1.26 0.00 0.00 -1.26 -2.96 120.51 116.62 2b3u n ALA 12 Ca 0.15 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.79 2b3u n ALA 12 Cb 0.77 -1.40 0.40 0.00 0.00 0.00 0.00 19.45 19.22 2b3u n ALA 12 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2b3u n ASP 13 N -2.23 0.96 -0.34 0.00 8.00 0.31 -4.46 116.55 118.78 2b3u n ASP 13 Ca 0.02 -0.85 0.15 0.00 0.71 0.00 0.00 54.79 54.83 2b3u n ASP 13 Cb 0.25 0.11 0.35 0.00 -0.02 0.00 0.00 41.12 41.81 2b3u n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b3u h SER 15 N 0.64 0.66 -0.30 0.00 4.64 -1.87 -1.67 113.55 115.65 2b3u h SER 15 Ca 0.60 -0.21 -0.18 0.00 -0.47 0.00 0.00 61.79 61.54 2b3u h SER 15 Cb 1.05 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2b3u h SER 15 CO -0.44 0.84 -0.50 0.44 -0.87 0.00 0.00 176.83 176.31 2b3u h ASP 16 N 0.60 0.97 -0.42 4.97 5.19 -1.40 -1.55 116.42 124.78 2b3u h ASP 16 Ca 0.10 -0.50 0.02 0.00 -0.62 0.00 0.00 57.03 56.03 2b3u h ASP 16 Cb 0.63 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 2b3u h ASP 16 CO 0.04 1.29 0.25 0.40 -3.12 0.00 0.00 179.24 178.11 2b3u h ILE 17 N 0.69 1.05 -0.83 0.35 2.04 -0.87 -0.44 117.51 119.49 2b3u h ILE 17 Ca 0.03 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2b3u h ILE 17 Cb 1.10 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 2b3u h ILE 17 CO 0.11 0.09 0.49 0.25 0.00 0.00 0.00 178.15 179.10 2b3u h LEU 18 N 0.51 1.01 -0.71 1.44 5.85 -1.24 0.18 115.31 122.35 2b3u h LEU 18 Ca 0.17 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2b3u h LEU 18 Cb 0.00 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 2b3u h LEU 18 CO -0.07 0.79 0.45 -0.09 -0.34 0.00 0.00 178.44 179.17 2b3u h ARG 19 N 1.15 0.86 -0.37 1.25 2.43 -0.45 -1.27 114.38 117.98 2b3u h ARG 19 Ca 0.30 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.27 2b3u h ARG 19 Cb -0.03 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2b3u h ARG 19 CO -0.05 0.57 -0.34 -0.07 -1.51 0.00 0.00 179.97 178.57 2b3u h LEU 20 N 0.89 0.87 0.08 3.80 3.38 -0.53 -0.84 115.31 122.96 2b3u h LEU 20 Ca 0.28 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2b3u h LEU 20 Cb -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2b3u h LEU 20 CO -0.10 1.13 -0.04 0.40 0.09 0.00 0.00 178.44 179.92 2b3u h ILE 21 N 0.69 0.96 -0.58 1.22 2.04 -0.68 0.40 117.51 121.56 2b3u h ILE 21 Ca 0.07 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2b3u h ILE 21 Cb 0.90 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2b3u h ILE 21 CO 0.08 0.04 0.32 0.11 0.00 0.00 0.00 178.15 178.70 2b3u h LYS 22 N -0.18 0.80 -0.34 2.37 1.57 -1.15 0.17 116.57 119.81 2b3u h LYS 22 Ca -0.01 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 2b3u h LYS 22 Cb 0.15 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2b3u h LYS 22 CO 0.02 0.58 -0.28 1.49 -0.57 0.00 0.00 179.45 180.69 2b3u h GLU 23 N 0.81 0.79 -0.56 3.15 4.81 -0.75 -2.22 114.58 120.60 2b3u h GLU 23 Ca 0.21 -0.39 0.04 0.00 -0.13 0.00 0.00 59.36 59.08 2b3u h GLU 23 Cb 0.01 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2b3u h GLU 23 CO -0.04 1.02 0.37 1.25 -0.73 0.00 0.00 179.01 180.89 2b3u h LEU 24 N 0.56 0.55 0.00 1.64 5.85 0.75 -3.51 115.31 121.15 2b3u h LEU 24 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2b3u h LEU 24 Cb 0.85 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2b3u h LEU 24 CO 0.07 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 178.55 2b3u n ALA 25 N -2.47 0.00 -1.81 1.25 0.00 0.51 -5.08 120.51 112.91 2b3u n ALA 25 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 2b3u n ALA 25 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 2b3u n ALA 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2b3u s GLN 33 N 0.00 3.12 -0.50 0.00 1.11 -1.26 -5.08 119.66 117.05 2b3u s GLN 33 Ca 0.00 1.63 -0.25 0.00 0.01 0.00 0.00 55.36 56.75 2b3u s GLN 33 Cb 0.00 -4.31 0.03 0.00 -1.01 0.00 0.00 33.01 27.72 2b3u s GLN 33 CO 0.00 -2.11 0.96 0.08 0.01 0.00 0.00 175.29 174.23 2b3u s VAL 34 N 7.99 4.39 -1.72 1.09 1.01 -1.26 -4.82 120.40 127.09 2b3u s VAL 34 Ca 0.89 0.65 0.14 0.00 0.00 0.00 0.00 61.98 63.66 2b3u s VAL 34 Cb -0.26 -4.50 0.10 0.00 0.00 0.00 0.00 36.38 31.73 2b3u s VAL 34 CO 0.33 -0.97 0.93 -0.38 0.00 0.00 0.00 175.10 175.01 2b3u n ILE 35 N 6.40 0.00 -2.18 2.22 5.41 -1.26 -4.97 119.36 124.98 2b3u n ILE 35 Ca 0.05 -0.49 -0.41 0.00 1.00 0.00 0.00 62.75 62.91 2b3u n ILE 35 Cb 0.48 1.28 -0.03 0.00 -0.71 0.00 0.00 39.64 40.67 2b3u n ILE 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2b3u s LEU 36 N -1.20 4.45 0.39 1.39 1.98 -1.26 -5.03 118.68 119.40 2b3u s LEU 36 Ca 0.16 2.60 0.08 0.00 -2.89 0.00 0.00 54.13 54.08 2b3u s LEU 36 Cb 0.12 -3.64 -0.05 0.00 0.66 0.00 0.00 46.19 43.27 2b3u s LEU 36 CO 0.18 -0.46 0.15 0.42 -1.89 0.00 0.00 176.35 174.75 2b3u s THR 37 N -1.10 2.48 0.23 3.68 -4.23 -1.26 -5.01 115.64 110.44 2b3u s THR 37 Ca 0.48 -1.73 -0.07 0.00 -1.18 0.00 0.00 61.69 59.19 2b3u s THR 37 Cb -0.38 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.70 2b3u s THR 37 CO 0.50 -0.06 1.90 -0.08 -0.54 0.00 0.00 174.62 176.34 2b3u h GLU 38 N 1.50 1.12 -0.96 3.99 4.81 -1.96 -1.33 114.58 121.76 2b3u h GLU 38 Ca -0.43 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 58.83 2b3u h GLU 38 Cb 1.25 -0.25 -0.08 0.00 0.63 0.00 0.00 28.75 30.30 2b3u h GLU 38 CO 0.68 0.74 0.60 -0.22 -0.73 0.00 0.00 179.01 180.08 2b3u h LYS 39 N 1.16 0.98 -0.34 1.92 3.64 -1.96 -1.17 116.57 120.79 2b3u h LYS 39 Ca 0.34 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 2b3u h LYS 39 Cb -0.08 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 2b3u h LYS 39 CO -0.09 0.65 0.10 -0.44 -2.27 0.00 0.00 179.45 177.40 2b3u h ASP 40 N 1.01 0.51 -0.93 4.20 3.32 -1.66 -1.55 116.42 121.31 2b3u h ASP 40 Ca 0.45 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.34 2b3u h ASP 40 Cb 0.34 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 2b3u h ASP 40 CO -0.23 0.58 0.61 -0.07 -1.72 0.00 0.00 179.24 178.41 2b3u h LEU 41 N 0.40 0.97 -0.12 1.55 3.38 -0.73 0.16 115.31 120.93 2b3u h LEU 41 Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2b3u h LEU 41 Cb 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2b3u h LEU 41 CO -0.00 0.64 -0.23 0.25 0.09 0.00 0.00 178.44 179.19 2b3u h LEU 42 N 1.11 0.40 -0.76 1.67 5.85 -1.01 -1.00 115.31 121.57 2b3u h LEU 42 Ca 0.39 -0.56 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 2b3u h LEU 42 Cb 0.12 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2b3u h LEU 42 CO -0.14 0.88 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.38 2b3u h GLU 43 N -0.06 0.80 0.00 1.25 5.08 -1.00 -2.04 114.58 118.60 2b3u h GLU 43 Ca 0.00 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 57.98 2b3u h GLU 43 Cb 0.82 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2b3u h GLU 43 CO 0.05 0.89 -0.89 -0.44 -1.00 0.00 0.00 179.01 177.63 2b3u h ASP 44 N 0.71 0.00 0.00 1.42 3.32 -0.72 -3.37 116.42 117.78 2b3u h ASP 44 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2b3u h ASP 44 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2b3u h ASP 44 CO 0.04 0.42 -1.77 0.61 -1.72 0.00 0.00 179.24 176.82 2b3u n GLY 45 N 1.27 -0.85 1.37 2.75 0.00 -0.38 -0.46 105.19 108.89 2b3u n GLY 45 Ca -0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 2b3u n GLY 45 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2b3u n PHE 46 N -2.09 0.75 -3.02 1.61 3.01 -0.77 -4.65 117.46 112.30 2b3u n PHE 46 Ca -0.03 -1.51 -0.00 0.00 1.01 0.00 0.00 57.45 56.92 2b3u n PHE 46 Cb 0.47 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 2b3u n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b3u n GLY 47 N -0.61 1.98 0.22 1.37 0.00 -1.26 -4.99 105.19 101.91 2b3u n GLY 47 Ca 0.20 -2.13 0.05 0.00 0.00 0.00 0.00 46.02 44.14 2b3u n GLY 47 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2b3u h GLU 48 N 0.00 0.00 -3.20 1.61 4.81 -1.96 -3.32 114.58 112.52 2b3u h GLU 48 Ca -0.00 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.60 2b3u h GLU 48 Cb 0.01 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 28.98 2b3u h GLU 48 CO 0.00 0.22 -0.63 -1.01 -0.73 0.00 0.00 179.01 176.87 2b3u s HIS 49 N -4.54 3.18 0.25 0.92 3.76 -1.26 -5.10 115.29 112.50 2b3u s HIS 49 Ca -0.04 -3.16 -0.30 0.00 -0.15 0.00 0.00 55.06 51.42 2b3u s HIS 49 Cb 0.15 -2.65 -0.10 0.00 1.11 0.00 0.00 32.58 31.10 2b3u s HIS 49 CO 0.70 -0.67 1.33 -1.25 -0.85 0.00 0.00 174.74 174.00 2b3u s PRO 50 N -0.70 4.36 0.00 8.40 0.04 -1.25 -4.93 135.00 140.93 2b3u s PRO 50 Ca 0.21 2.14 0.25 0.00 0.04 0.00 0.00 61.00 63.65 2b3u s PRO 50 Cb -0.16 -3.14 0.57 0.00 0.04 0.00 0.00 34.50 31.81 2b3u s PRO 50 CO -0.07 -0.25 1.45 1.19 0.04 0.00 0.00 177.00 179.36 2b3u n PHE 51 N 1.97 0.00 -3.59 0.56 3.72 0.39 -4.93 117.46 115.58 2b3u n PHE 51 Ca 0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.33 2b3u n PHE 51 Cb 0.42 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 2b3u n PHE 51 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2b3u s TYR 52 N -2.54 -0.30 0.07 1.38 -0.85 -1.26 -4.88 117.35 108.97 2b3u s TYR 52 Ca 0.22 0.01 0.05 0.00 -0.52 0.00 0.00 57.07 56.84 2b3u s TYR 52 Cb 0.19 0.40 -0.03 0.00 0.38 0.00 0.00 41.96 42.90 2b3u s TYR 52 CO 0.55 -0.81 -0.14 -1.01 -1.52 0.00 0.00 175.55 172.62 2b3u s HIS 53 N -3.80 1.23 -0.01 -3.49 3.76 0.92 -4.79 115.29 109.10 2b3u s HIS 53 Ca 0.04 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 2b3u s HIS 53 Cb 0.00 -0.69 0.00 0.00 1.11 0.00 0.00 32.58 33.00 2b3u s HIS 53 CO -0.10 0.06 -0.05 0.00 -0.85 0.00 0.00 174.74 173.80 2b3u s LEU 55 N 0.15 3.28 0.26 0.00 1.43 -0.52 -0.49 118.68 122.79 2b3u s LEU 55 Ca -0.01 -0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.13 2b3u s LEU 55 Cb -0.05 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 2b3u s LEU 55 CO -0.00 0.28 -0.13 0.68 0.23 0.00 0.00 176.35 177.41 2b3u s VAL 56 N -0.29 1.97 -0.16 -1.59 -7.23 0.46 -1.23 120.40 112.33 2b3u s VAL 56 Ca 0.05 -2.24 -0.01 0.00 -1.81 0.00 0.00 61.98 57.97 2b3u s VAL 56 Cb -0.13 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 2b3u s VAL 56 CO 0.02 -0.41 -0.11 0.00 -0.31 0.00 0.00 175.10 174.29 2b3u s ALA 57 N -2.81 2.63 -0.06 1.32 0.00 -0.37 -1.64 121.76 120.83 2b3u s ALA 57 Ca 0.28 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.27 2b3u s ALA 57 Cb -0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 2b3u s ALA 57 CO 0.12 -0.04 -0.21 -2.00 0.00 0.00 0.00 175.76 173.62 2b3u s GLU 58 N 0.83 2.58 0.18 0.00 2.12 -0.43 -1.20 118.70 122.78 2b3u s GLU 58 Ca -0.04 -0.83 0.11 0.00 0.36 0.00 0.00 54.97 54.57 2b3u s GLU 58 Cb -0.15 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.94 2b3u s GLU 58 CO 0.00 0.44 -0.21 0.14 -0.54 0.00 0.00 175.26 175.10 2b3u s VAL 59 N -0.30 2.56 0.89 3.70 -7.23 0.50 -1.63 120.40 118.89 2b3u s VAL 59 Ca 0.01 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.15 2b3u s VAL 59 Cb -0.13 -2.23 0.12 0.00 0.56 0.00 0.00 36.38 34.70 2b3u s VAL 59 CO 0.02 -0.09 1.12 -2.16 -0.31 0.00 0.00 175.10 173.68 2b3u s PRO 60 N -2.65 1.35 0.25 4.82 0.04 -1.26 -4.72 135.00 132.84 2b3u s PRO 60 Ca 0.21 0.44 -0.03 0.00 0.04 0.00 0.00 61.00 61.66 2b3u s PRO 60 Cb -0.08 -1.85 0.48 0.00 0.04 0.00 0.00 34.50 33.08 2b3u s PRO 60 CO 0.11 -2.08 1.73 -0.22 0.04 0.00 0.00 177.00 176.58 2b3u h LYS 61 N -1.42 0.45 -0.01 4.56 3.11 -1.98 0.50 116.57 121.78 2b3u h LYS 61 Ca -0.50 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.32 2b3u h LYS 61 Cb 1.31 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.44 2b3u h LYS 61 CO 0.60 0.30 0.39 1.05 -2.81 0.00 0.00 179.45 178.97 2b3u h GLU 62 N 0.46 0.00 0.00 1.90 9.09 -2.02 -0.59 114.58 123.42 2b3u h GLU 62 Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.84 2b3u h GLU 62 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 2b3u h GLU 62 CO -0.40 0.00 -0.01 0.72 0.05 0.00 0.00 179.01 179.37 2b3u n HIS 63 N -2.87 0.00 -1.08 2.06 8.25 0.15 -5.06 115.22 116.67 2b3u n HIS 63 Ca -0.02 -0.96 -0.33 0.00 -0.26 0.00 0.00 57.72 56.16 2b3u n HIS 63 Cb 0.43 -0.14 0.13 0.00 1.12 0.00 0.00 29.99 31.52 2b3u n HIS 63 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2b3u s TRP 64 N -2.75 1.89 1.00 4.41 0.51 -0.23 -4.89 118.94 118.89 2b3u s TRP 64 Ca 0.30 1.68 -0.12 0.00 -2.12 0.00 0.00 56.10 55.85 2b3u s TRP 64 Cb 0.26 -3.39 0.19 0.00 -0.81 0.00 0.00 33.47 29.73 2b3u s TRP 64 CO 0.03 -2.65 1.08 0.95 -0.51 0.00 0.00 176.95 175.85 2b3u s THR 65 N -2.35 2.26 0.44 2.01 -4.23 0.04 -4.79 115.64 109.02 2b3u s THR 65 Ca 0.70 0.08 0.13 0.00 -1.18 0.00 0.00 61.69 61.43 2b3u s THR 65 Cb -0.25 -2.30 0.32 0.00 1.34 0.00 0.00 72.50 71.60 2b3u s THR 65 CO 0.52 -0.11 2.00 -0.65 -0.54 0.00 0.00 174.62 175.83 2b3u h PRO 66 N -2.04 0.40 0.00 3.99 0.11 -1.93 0.33 132.00 132.85 2b3u h PRO 66 Ca -0.53 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2b3u h PRO 66 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2b3u h PRO 66 CO 0.50 0.26 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70 2b3u n GLU 67 N -4.47 0.54 -1.30 1.05 0.28 -1.26 -4.88 120.64 110.59 2b3u n GLU 67 Ca 0.09 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 2b3u n GLU 67 Cb 0.33 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.70 2b3u n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2b3u n GLY 68 N 0.64 0.61 3.89 -1.84 0.00 0.11 -5.07 105.19 103.54 2b3u n GLY 68 Ca 0.15 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 2b3u n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b3u s HIS 69 N -2.00 3.46 -0.60 1.61 3.76 -1.25 -4.78 115.29 115.49 2b3u s HIS 69 Ca 0.00 0.23 0.21 0.00 -0.15 0.00 0.00 55.06 55.36 2b3u s HIS 69 Cb 0.00 -1.74 -0.27 0.00 1.11 0.00 0.00 32.58 31.67 2b3u s HIS 69 CO 0.00 0.58 0.72 -1.13 -0.85 0.00 0.00 174.74 174.07 2b3u n SER 70 N 0.44 0.61 -4.65 1.40 3.41 -1.26 -0.78 113.62 112.80 2b3u n SER 70 Ca -0.07 -0.59 -0.38 0.00 -0.26 0.00 0.00 58.87 57.58 2b3u n SER 70 Cb 0.51 1.40 -0.09 0.00 -0.26 0.00 0.00 64.21 65.77 2b3u n SER 70 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2b3u s ILE 71 N -3.19 5.28 0.00 -1.33 -1.09 -1.26 -0.37 121.20 119.23 2b3u s ILE 71 Ca 0.02 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 2b3u s ILE 71 Cb 0.15 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 2b3u s ILE 71 CO 0.88 0.28 0.77 1.33 -1.23 0.00 0.00 174.94 176.96 2b3u n VAL 72 N 4.51 0.57 -3.55 2.92 0.24 -0.34 -5.01 118.33 117.66 2b3u n VAL 72 Ca -0.12 -0.74 -0.08 0.00 -2.04 0.00 0.00 64.34 61.36 2b3u n VAL 72 Cb 0.52 0.75 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 2b3u n VAL 72 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2b3u s GLY 73 N -0.57 -0.34 0.20 7.63 0.00 -1.25 -4.53 107.32 108.47 2b3u s GLY 73 Ca 0.00 1.55 -0.18 0.00 0.00 0.00 0.00 44.72 46.09 2b3u s GLY 73 CO 0.00 0.62 0.54 -0.11 0.00 0.00 0.00 173.10 174.15 2b3u s PHE 74 N -2.26 -0.10 0.16 1.90 -0.71 0.13 -1.24 117.98 115.87 2b3u s PHE 74 Ca 0.04 -0.25 0.03 0.00 -1.04 0.00 0.00 56.93 55.72 2b3u s PHE 74 Cb -0.01 0.40 -0.01 0.00 -1.21 0.00 0.00 43.02 42.19 2b3u s PHE 74 CO -0.05 -0.94 0.11 0.00 -1.34 0.00 0.00 175.22 173.00 2b3u n ALA 75 N -0.35 0.31 0.00 1.99 0.00 -0.37 -1.02 120.51 121.07 2b3u n ALA 75 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.44 2b3u n ALA 75 Cb 0.62 0.70 0.00 0.00 0.00 0.00 0.00 19.45 20.77 2b3u n ALA 75 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2b3u n TYR 77 N -0.33 0.00 -3.72 0.00 0.18 0.25 -1.44 117.16 112.10 2b3u n TYR 77 Ca 0.02 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.74 2b3u n TYR 77 Cb 0.28 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.22 2b3u n TYR 77 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 2b3u s TYR 78 N -1.87 -0.21 -0.05 -3.48 -0.85 -0.66 -0.06 117.35 110.17 2b3u s TYR 78 Ca 0.00 -0.11 -0.06 0.00 -0.52 0.00 0.00 57.07 56.38 2b3u s TYR 78 Cb 0.00 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 42.94 2b3u s TYR 78 CO 0.00 -0.91 0.19 -0.06 -1.52 0.00 0.00 175.55 173.25 2b3u s PHE 79 N -3.49 3.59 0.24 -3.49 0.08 -1.26 -0.21 117.98 113.43 2b3u s PHE 79 Ca 0.10 0.50 0.02 0.00 0.12 0.00 0.00 56.93 57.68 2b3u s PHE 79 Cb -0.03 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 2b3u s PHE 79 CO 0.01 0.68 0.09 0.25 -0.10 0.00 0.00 175.22 176.15 2b3u n THR 80 N 1.45 0.00 -3.77 0.64 -2.24 -0.33 -4.91 114.28 105.13 2b3u n THR 80 Ca -0.15 -1.39 -0.13 0.00 -2.27 0.00 0.00 64.05 60.11 2b3u n THR 80 Cb 0.54 0.51 -0.11 0.00 -2.10 0.00 0.00 70.33 69.17 2b3u n THR 80 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2b3u s TYR 81 N -2.46 -0.33 -0.09 4.78 6.14 -1.26 -1.32 117.35 122.81 2b3u s TYR 81 Ca 0.13 0.79 -0.03 0.00 0.64 0.00 0.00 57.07 58.60 2b3u s TYR 81 Cb 0.01 0.11 0.05 0.00 0.42 0.00 0.00 41.96 42.54 2b3u s TYR 81 CO 0.09 -0.16 0.10 0.34 0.64 0.00 0.00 175.55 176.56 2b3u s ASP 82 N 0.26 1.38 0.60 4.32 3.68 -0.95 -4.98 116.67 120.98 2b3u s ASP 82 Ca -0.01 -0.06 0.28 0.00 2.13 0.00 0.00 52.55 54.89 2b3u s ASP 82 Cb -0.03 -0.05 1.38 0.00 -1.45 0.00 0.00 42.92 42.77 2b3u s ASP 82 CO -0.01 -0.28 1.78 1.55 0.13 0.00 0.00 175.17 178.35 2b3u h PRO 83 N 8.41 0.00 -0.24 4.34 0.13 -2.01 -1.48 132.00 141.16 2b3u h PRO 83 Ca -0.13 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.84 2b3u h PRO 83 Cb 1.13 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.15 2b3u h PRO 83 CO 0.19 0.00 -0.44 -2.67 -0.23 0.00 0.00 178.00 174.85 2b3u n TRP 84 N -3.54 0.82 0.12 1.56 2.14 -1.26 -4.77 117.44 112.51 2b3u n TRP 84 Ca 0.10 -1.69 0.00 0.00 2.07 0.00 0.00 57.50 57.98 2b3u n TRP 84 Cb 0.80 -0.35 0.00 0.00 -0.81 0.00 0.00 31.31 30.95 2b3u n TRP 84 CO 0.00 0.00 0.00 1.51 2.07 0.00 0.00 177.69 181.27 2b3u n ILE 85 N -1.04 0.00 -2.06 -1.67 3.06 -0.64 -5.18 119.36 111.83 2b3u n ILE 85 Ca 0.28 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.53 2b3u n ILE 85 Cb 0.82 -0.34 0.00 0.00 0.54 0.00 0.00 39.64 40.66 2b3u n ILE 85 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2b3u n GLY 86 N 1.29 -0.02 3.78 4.50 0.00 -0.72 -4.84 105.19 109.18 2b3u n GLY 86 Ca 0.00 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 2b3u n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b3u s LYS 87 N -2.00 4.23 0.09 1.61 1.02 -1.26 -2.23 119.74 121.19 2b3u s LYS 87 Ca 0.00 1.53 0.05 0.00 0.02 0.00 0.00 55.97 57.56 2b3u s LYS 87 Cb 0.00 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 2b3u s LYS 87 CO 0.00 -0.09 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.71 2b3u s LEU 88 N -2.50 2.34 -0.23 3.17 1.43 -0.43 -0.64 118.68 121.81 2b3u s LEU 88 Ca 0.56 -0.71 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 2b3u s LEU 88 Cb -0.23 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 2b3u s LEU 88 CO 0.28 -0.16 0.11 -0.22 0.23 0.00 0.00 176.35 176.59 2b3u s LEU 89 N -2.08 3.80 -0.23 1.79 0.20 -0.88 -1.18 118.68 120.10 2b3u s LEU 89 Ca 0.02 -0.01 -0.06 0.00 0.69 0.00 0.00 54.13 54.77 2b3u s LEU 89 Cb -0.07 -2.01 -0.02 0.00 -0.43 0.00 0.00 46.19 43.66 2b3u s LEU 89 CO 0.02 0.05 0.02 -0.47 -0.29 0.00 0.00 176.35 175.68 2b3u s TYR 90 N 1.11 3.03 -0.48 5.38 5.04 0.71 -1.11 117.35 131.03 2b3u s TYR 90 Ca 0.05 -0.61 -0.19 0.00 -2.44 0.00 0.00 57.07 53.89 2b3u s TYR 90 Cb -0.14 -2.17 0.04 0.00 0.35 0.00 0.00 41.96 40.05 2b3u s TYR 90 CO 0.04 -0.41 0.60 -1.17 -1.34 0.00 0.00 175.55 173.27 2b3u s LEU 91 N 1.47 4.84 -0.03 6.97 2.96 -0.20 -1.65 118.68 133.04 2b3u s LEU 91 Ca 0.05 -0.74 -0.22 0.00 -0.22 0.00 0.00 54.13 53.01 2b3u s LEU 91 Cb -0.15 -2.50 -0.28 0.00 0.50 0.00 0.00 46.19 43.77 2b3u s LEU 91 CO 0.01 -0.81 0.98 -0.08 -1.32 0.00 0.00 176.35 175.13 2b3u h GLU 92 N 8.92 0.32 -2.70 1.98 4.57 -1.92 -3.41 114.58 122.34 2b3u h GLU 92 Ca -0.27 -0.44 -0.07 0.00 -1.18 0.00 0.00 59.36 57.40 2b3u h GLU 92 Cb 1.10 0.15 -0.17 0.00 -0.16 0.00 0.00 28.75 29.67 2b3u h GLU 92 CO 0.92 1.16 0.02 -0.51 -1.18 0.00 0.00 179.01 179.42 2b3u s ASP 93 N -6.82 -0.44 -0.14 1.04 1.01 -1.26 -4.91 116.67 105.15 2b3u s ASP 93 Ca -0.14 0.23 -0.05 0.00 0.71 0.00 0.00 52.55 53.30 2b3u s ASP 93 Cb 0.02 0.48 0.07 0.00 1.01 0.00 0.00 42.92 44.49 2b3u s ASP 93 CO 0.82 -0.68 0.29 0.12 0.21 0.00 0.00 175.17 175.93 2b3u s PHE 94 N -2.17 -0.49 -0.16 4.23 5.36 -1.26 -4.30 117.98 119.19 2b3u s PHE 94 Ca -0.07 1.07 -0.11 0.00 -0.96 0.00 0.00 56.93 56.87 2b3u s PHE 94 Cb -0.01 0.03 0.05 0.00 -0.34 0.00 0.00 43.02 42.75 2b3u s PHE 94 CO 0.00 -0.37 0.39 0.12 -1.46 0.00 0.00 175.22 173.90 2b3u s PHE 95 N 2.40 -0.51 0.00 10.12 5.36 -0.19 -5.01 117.98 130.16 2b3u s PHE 95 Ca 0.00 1.15 0.00 0.00 -0.96 0.00 0.00 56.93 57.12 2b3u s PHE 95 Cb -0.12 0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 2b3u s PHE 95 CO -0.09 -0.27 0.00 0.28 -1.46 0.00 0.00 175.22 173.67 2b3u n VAL 96 N 3.63 0.00 -0.09 3.12 0.31 -1.26 -0.69 118.33 123.34 2b3u n VAL 96 Ca -0.19 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 63.97 2b3u n VAL 96 Cb 0.56 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.40 2b3u n VAL 96 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2b3u h SER 98 N 0.00 0.00 0.12 4.52 0.87 -1.99 -3.46 113.55 113.61 2b3u h SER 98 Ca 0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2b3u h SER 98 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2b3u h SER 98 CO 0.00 1.27 0.00 0.47 -0.53 0.00 0.00 176.83 178.04 2b3u n ASP 99 N -4.50 0.00 -0.45 6.23 8.00 -1.26 -2.83 116.55 121.74 2b3u n ASP 99 Ca -0.24 -0.39 0.07 0.00 0.71 0.00 0.00 54.79 54.94 2b3u n ASP 99 Cb 0.56 -0.10 0.15 0.00 -0.02 0.00 0.00 41.12 41.71 2b3u n ASP 99 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2b3u n TYR 100 N -1.10 0.41 -3.28 1.24 4.01 -1.26 -5.01 117.16 112.17 2b3u n TYR 100 Ca 0.12 -0.74 -0.27 0.00 -0.16 0.00 0.00 57.90 56.85 2b3u n TYR 100 Cb 0.09 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 38.95 2b3u n TYR 100 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2b3u s ARG 101 N -2.04 3.57 0.00 -0.72 0.52 -1.13 -4.36 118.95 114.79 2b3u s ARG 101 Ca 0.27 -0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 2b3u s ARG 101 Cb 0.21 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 33.05 2b3u s ARG 101 CO 0.07 0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.95 2b3u n GLY 102 N -1.36 0.67 0.46 -3.53 0.00 -1.26 -4.91 105.19 95.27 2b3u n GLY 102 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 2b3u n GLY 102 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2b3u n PHE 103 N -2.00 0.03 0.00 1.61 3.72 -1.26 -5.00 117.46 114.56 2b3u n PHE 103 Ca 0.00 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2b3u n PHE 103 Cb 0.00 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2b3u n PHE 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b3u n GLY 104 N 0.62 0.66 0.08 1.37 0.00 -1.26 -4.96 105.19 101.71 2b3u n GLY 104 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 2b3u n GLY 104 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2b3u h ILE 105 N 0.00 1.04 -0.69 -0.61 2.04 -1.95 -1.13 117.51 116.21 2b3u h ILE 105 Ca 0.00 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 2b3u h ILE 105 Cb 0.00 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2b3u h ILE 105 CO 0.00 0.04 0.18 1.23 0.00 0.00 0.00 178.15 179.59 2b3u h GLY 106 N 0.15 1.17 1.28 5.37 0.00 -1.95 -0.86 103.07 108.24 2b3u h GLY 106 Ca 0.04 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.56 2b3u h GLY 106 CO -0.01 0.67 -0.09 1.76 0.00 0.00 0.00 176.54 178.87 2b3u h SER 107 N 1.04 0.84 -0.07 0.19 0.02 -1.95 -0.50 113.55 113.11 2b3u h SER 107 Ca 0.22 -0.25 -0.15 0.00 -0.84 0.00 0.00 61.79 60.77 2b3u h SER 107 Cb 0.35 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2b3u h SER 107 CO -0.00 0.95 -0.46 -0.08 -1.14 0.00 0.00 176.83 176.11 2b3u h GLU 108 N 0.77 0.62 -0.15 3.45 4.81 -0.94 -0.99 114.58 122.15 2b3u h GLU 108 Ca 0.13 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2b3u h GLU 108 Cb 0.59 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2b3u h GLU 108 CO 0.04 0.95 0.02 0.82 -0.73 0.00 0.00 179.01 180.10 2b3u h ILE 109 N 0.50 1.23 -0.63 2.32 2.04 -0.87 -0.68 117.51 121.41 2b3u h ILE 109 Ca 0.03 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 2b3u h ILE 109 Cb 0.99 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 2b3u h ILE 109 CO 0.09 0.22 0.37 -0.07 0.00 0.00 0.00 178.15 178.76 2b3u h LEU 110 N 0.02 0.75 -0.05 1.44 3.38 -1.06 0.01 115.31 119.80 2b3u h LEU 110 Ca 0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2b3u h LEU 110 Cb 0.32 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2b3u h LEU 110 CO 0.00 0.59 0.02 0.50 0.09 0.00 0.00 178.44 179.64 2b3u h LYS 111 N 0.87 0.07 -0.48 1.13 3.64 -0.87 -1.13 116.57 119.80 2b3u h LYS 111 Ca 0.23 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 2b3u h LYS 111 Cb -0.02 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2b3u h LYS 111 CO -0.04 0.16 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.35 2b3u h ASN 112 N -0.04 0.80 -0.86 4.20 2.35 -0.72 -1.44 115.58 119.87 2b3u h ASN 112 Ca 0.02 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2b3u h ASN 112 Cb 0.12 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 2b3u h ASN 112 CO -0.00 0.90 0.56 -0.07 -1.65 0.00 0.00 177.43 177.16 2b3u h LEU 113 N 0.76 1.01 -0.58 1.61 3.38 -0.87 0.22 115.31 120.83 2b3u h LEU 113 Ca 0.14 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2b3u h LEU 113 Cb 0.52 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2b3u h LEU 113 CO 0.03 0.74 -0.20 0.28 0.09 0.00 0.00 178.44 179.37 2b3u h SER 114 N 1.18 0.94 -0.58 -0.43 0.02 -0.46 -0.52 113.55 113.70 2b3u h SER 114 Ca 0.32 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 2b3u h SER 114 Cb -0.11 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.14 2b3u h SER 114 CO -0.07 1.11 0.07 1.56 -1.14 0.00 0.00 176.83 178.36 2b3u h GLN 115 N 0.80 1.01 -0.68 3.45 4.20 -0.80 -2.02 115.11 121.07 2b3u h GLN 115 Ca 0.11 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 2b3u h GLN 115 Cb 0.76 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 2b3u h GLN 115 CO 0.06 0.95 0.33 0.28 -0.67 0.00 0.00 178.83 179.78 2b3u h VAL 116 N 0.94 1.22 0.00 -0.54 2.07 -0.62 0.30 116.25 119.64 2b3u h VAL 116 Ca 0.18 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2b3u h VAL 116 Cb 0.45 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2b3u h VAL 116 CO 0.02 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.87 2b3u n ALA 117 N -2.36 1.38 0.00 1.67 0.00 -0.23 -1.22 120.51 119.75 2b3u n ALA 117 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2b3u n ALA 117 Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2b3u n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b3u n ARG 119 N 0.84 0.00 0.00 0.00 1.74 0.09 -1.12 116.66 118.22 2b3u n ARG 119 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 2b3u n ARG 119 Cb 0.01 0.00 0.54 0.00 -1.02 0.00 0.00 32.46 31.99 2b3u n ARG 119 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2b3u n ARG 121 N -1.41 -3.20 -2.22 0.00 5.12 -0.27 -4.97 116.66 109.70 2b3u n ARG 121 Ca 0.08 0.68 -0.41 0.00 -1.93 0.00 0.00 57.85 56.27 2b3u n ARG 121 Cb 0.24 -5.02 -0.03 0.00 -1.16 0.00 0.00 32.46 26.49 2b3u n ARG 121 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2b3u h SER 123 N 3.82 0.00 0.00 0.00 0.02 -1.21 -3.48 113.55 112.70 2b3u h SER 123 Ca -0.48 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2b3u h SER 123 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2b3u h SER 123 CO 0.68 0.01 0.00 -0.24 -1.14 0.00 0.00 176.83 176.14 2b3u n SER 124 N -2.76 3.53 -3.56 3.07 2.88 -1.26 -5.05 113.62 110.46 2b3u n SER 124 Ca 0.04 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.50 2b3u n SER 124 Cb 0.50 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.93 2b3u n SER 124 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2b3u s HIS 126 N 0.31 -0.28 -0.10 0.66 3.76 -0.27 -2.08 115.29 117.30 2b3u s HIS 126 Ca 0.00 0.33 -0.32 0.00 -0.15 0.00 0.00 55.06 54.91 2b3u s HIS 126 Cb 0.00 0.50 0.12 0.00 1.11 0.00 0.00 32.58 34.31 2b3u s HIS 126 CO 0.00 -0.34 1.12 -0.59 -0.85 0.00 0.00 174.74 174.08 2b3u s PHE 127 N -2.01 -0.17 0.08 1.40 -0.12 -1.26 -1.03 117.98 114.86 2b3u s PHE 127 Ca 0.04 0.08 0.02 0.00 -0.05 0.00 0.00 56.93 57.02 2b3u s PHE 127 Cb -0.01 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 2b3u s PHE 127 CO -0.04 -0.34 0.12 -0.51 -0.05 0.00 0.00 175.22 174.40 2b3u s LEU 128 N -2.41 3.94 -0.00 -1.99 1.43 -1.26 -5.06 118.68 113.33 2b3u s LEU 128 Ca 0.09 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2b3u s LEU 128 Cb -0.00 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.63 2b3u s LEU 128 CO -0.05 0.16 -0.01 -0.69 0.23 0.00 0.00 176.35 175.99 2b3u s VAL 129 N -1.44 0.11 0.22 -1.59 1.01 -1.26 -5.10 120.40 112.34 2b3u s VAL 129 Ca 0.31 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 2b3u s VAL 129 Cb -0.12 -0.12 -0.09 0.00 0.00 0.00 0.00 36.38 36.05 2b3u s VAL 129 CO 0.24 0.05 1.23 0.00 0.00 0.00 0.00 175.10 176.61 2b3u s ALA 130 N 0.12 3.47 0.54 5.51 0.00 -1.26 -4.92 121.76 125.22 2b3u s ALA 130 Ca -0.01 1.03 0.26 0.00 0.00 0.00 0.00 51.96 53.23 2b3u s ALA 130 Cb -0.02 -3.43 1.43 0.00 0.00 0.00 0.00 23.12 21.10 2b3u s ALA 130 CO -0.00 -0.43 2.01 1.05 0.00 0.00 0.00 175.76 178.38 2b3u h GLU 131 N 4.93 0.00 -0.00 0.00 -0.00 -2.05 -1.99 114.58 115.46 2b3u h GLU 131 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 2b3u h GLU 131 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 2b3u h GLU 131 CO 0.74 0.00 -0.38 -2.67 -0.00 0.00 0.00 179.01 176.70 2b3u n TRP 132 N -4.25 0.00 -2.18 2.06 4.27 -1.26 -4.64 117.44 111.43 2b3u n TRP 132 Ca 0.08 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.27 2b3u n TRP 132 Cb 0.56 -0.18 0.00 0.00 -1.36 0.00 0.00 31.31 30.33 2b3u n TRP 132 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2b3u n ASN 133 N -1.07 4.62 -0.32 -0.67 4.05 -0.75 -4.81 115.26 116.31 2b3u n ASN 133 Ca 0.09 -2.98 0.07 0.00 0.45 0.00 0.00 54.58 52.22 2b3u n ASN 133 Cb 0.34 -1.58 0.23 0.00 1.23 0.00 0.00 39.78 40.00 2b3u n ASN 133 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 2b3u h GLU 134 N 6.14 0.75 -0.58 1.20 4.39 -1.85 -1.05 114.58 123.58 2b3u h GLU 134 Ca 0.46 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.14 2b3u h GLU 134 Cb 0.68 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 2b3u h GLU 134 CO 1.68 0.49 0.36 -1.35 -1.16 0.00 0.00 179.01 179.03 2b3u h PRO 135 N 0.77 0.69 -0.34 2.33 0.11 -1.99 0.23 132.00 133.80 2b3u h PRO 135 Ca 0.48 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.44 2b3u h PRO 135 Cb 0.60 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 2b3u h PRO 135 CO -0.32 0.46 -0.20 1.03 -0.21 0.00 0.00 178.00 178.76 2b3u h SER 136 N 0.72 0.77 -0.32 -2.05 0.87 -1.81 -0.83 113.55 110.90 2b3u h SER 136 Ca 0.23 -0.42 0.05 0.00 -1.23 0.00 0.00 61.79 60.42 2b3u h SER 136 Cb -0.00 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 61.70 2b3u h SER 136 CO -0.09 1.02 0.04 0.40 -0.53 0.00 0.00 176.83 177.67 2b3u h ILE 137 N 0.51 0.82 -0.03 2.23 2.04 -0.81 -1.55 117.51 120.71 2b3u h ILE 137 Ca 0.07 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.77 2b3u h ILE 137 Cb 0.75 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2b3u h ILE 137 CO 0.06 0.03 -0.52 0.78 0.00 0.00 0.00 178.15 178.49 2b3u h ASN 138 N 0.14 0.09 -0.42 1.72 2.35 -0.90 -0.43 115.58 118.14 2b3u h ASN 138 Ca 0.15 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2b3u h ASN 138 Cb 0.18 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2b3u h ASN 138 CO -0.22 0.59 0.26 0.15 -1.65 0.00 0.00 177.43 176.57 2b3u h PHE 139 N 0.06 0.54 -0.00 1.19 3.04 -0.56 -1.58 116.94 119.63 2b3u h PHE 139 Ca -0.00 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.76 2b3u h PHE 139 Cb 0.94 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.26 2b3u h PHE 139 CO 0.01 0.37 -0.85 1.88 -2.02 0.00 0.00 178.31 177.69 2b3u h TYR 140 N 0.55 0.26 -0.31 0.41 0.05 -1.04 -3.06 116.97 113.84 2b3u h TYR 140 Ca 0.15 -0.14 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2b3u h TYR 140 Cb -0.02 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 2b3u h TYR 140 CO -0.04 0.95 -0.03 0.87 -1.05 0.00 0.00 178.16 178.85 2b3u h LYS 141 N 0.10 0.49 0.00 4.88 1.57 -0.96 -1.00 116.57 121.65 2b3u h LYS 141 Ca -0.04 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2b3u h LYS 141 Cb 1.48 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2b3u h LYS 141 CO 0.13 0.55 0.00 0.00 -0.57 0.00 0.00 179.45 179.55 2b3u h ARG 142 N 0.47 0.00 -0.72 3.15 3.08 -1.18 -1.10 114.38 118.08 2b3u h ARG 142 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2b3u h ARG 142 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2b3u h ARG 142 CO 0.01 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.45 2b3u n ARG 143 N -3.01 2.74 0.00 0.04 1.74 -0.50 -4.94 116.66 112.73 2b3u n ARG 143 Ca -0.01 -2.64 0.00 0.00 -0.77 0.00 0.00 57.85 54.43 2b3u n ARG 143 Cb 0.17 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 2b3u n ARG 143 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b3u n GLY 144 N 1.60 0.60 3.75 -0.13 0.00 -0.42 -5.09 105.19 105.51 2b3u n GLY 144 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 2b3u n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3u s ALA 145 N -2.00 2.31 0.03 4.61 0.00 -0.52 -4.97 121.76 121.22 2b3u s ALA 145 Ca 0.00 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.72 2b3u s ALA 145 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2b3u s ALA 145 CO 0.00 -1.54 -0.06 -1.54 0.00 0.00 0.00 175.76 172.63 2b3u s SER 146 N -2.22 0.61 -0.79 0.00 1.04 -1.26 -4.51 113.70 106.57 2b3u s SER 146 Ca 0.71 -0.48 -0.23 0.00 0.48 0.00 0.00 55.95 56.43 2b3u s SER 146 Cb -0.25 0.05 0.07 0.00 0.10 0.00 0.00 66.02 65.98 2b3u s SER 146 CO 0.42 -0.21 1.15 -0.62 0.98 0.00 0.00 173.24 174.97 2b3u s ASP 147 N -1.37 6.31 0.20 7.02 -1.08 -1.26 -4.88 116.67 121.61 2b3u s ASP 147 Ca -0.11 -1.12 -0.08 0.00 -0.52 0.00 0.00 52.55 50.73 2b3u s ASP 147 Cb -0.09 -2.48 0.13 0.00 -1.46 0.00 0.00 42.92 39.02 2b3u s ASP 147 CO -0.00 -1.49 1.69 0.25 0.52 0.00 0.00 175.17 176.14 2b3u h LEU 148 N 11.85 1.03 -0.41 -1.34 5.85 -1.98 -1.56 115.31 128.75 2b3u h LEU 148 Ca -0.13 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.40 2b3u h LEU 148 Cb 1.05 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 2b3u h LEU 148 CO 1.23 1.04 0.09 0.28 -0.34 0.00 0.00 178.44 180.75 2b3u h SER 149 N 1.00 0.03 0.03 1.25 0.02 -1.90 -1.46 113.55 112.52 2b3u h SER 149 Ca 0.19 0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 61.04 2b3u h SER 149 Cb 0.47 0.09 0.02 0.00 0.14 0.00 0.00 62.40 63.11 2b3u h SER 149 CO 0.02 0.05 -0.69 0.28 -1.14 0.00 0.00 176.83 175.35 2b3u h SER 150 N 0.22 0.55 -0.63 3.07 0.02 -1.80 0.97 113.55 115.95 2b3u h SER 150 Ca 0.20 -0.80 -0.05 0.00 -0.84 0.00 0.00 61.79 60.29 2b3u h SER 150 Cb 0.23 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2b3u h SER 150 CO -0.25 1.29 0.18 -0.33 -1.14 0.00 0.00 176.83 176.58 2b3u h GLU 151 N -0.12 0.99 -0.02 3.45 5.08 -1.23 -3.24 114.58 119.49 2b3u h GLU 151 Ca -0.10 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2b3u h GLU 151 Cb 1.43 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2b3u h GLU 151 CO 0.13 0.89 -0.26 0.39 -1.00 0.00 0.00 179.01 179.16 2b3u n GLU 152 N -4.35 1.58 -2.15 2.33 1.02 -0.56 -5.02 120.64 113.49 2b3u n GLU 152 Ca 0.04 -1.16 -0.06 0.00 -0.02 0.00 0.00 57.16 55.97 2b3u n GLU 152 Cb 0.23 -1.36 0.03 0.00 -0.02 0.00 0.00 31.44 30.31 2b3u n GLU 152 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b3u n GLY 153 N 1.21 0.16 3.23 0.62 0.00 -0.22 -5.04 105.19 105.15 2b3u n GLY 153 Ca 0.09 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2b3u n GLY 153 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2b3u s TRP 154 N -3.14 2.46 -0.03 1.61 0.52 0.17 -5.03 118.94 115.49 2b3u s TRP 154 Ca 0.16 -0.89 0.06 0.00 0.02 0.00 0.00 56.10 55.45 2b3u s TRP 154 Cb -0.02 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.64 2b3u s TRP 154 CO 0.27 -0.32 -0.20 1.03 0.02 0.00 0.00 176.95 177.74 2b3u s ARG 155 N 0.13 2.30 -0.09 4.98 0.52 -1.26 -4.52 118.95 121.00 2b3u s ARG 155 Ca -0.12 -0.82 -0.21 0.00 -0.52 0.00 0.00 55.73 54.06 2b3u s ARG 155 Cb -0.16 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 2b3u s ARG 155 CO 0.06 0.59 0.60 -1.17 0.02 0.00 0.00 175.30 175.41 2b3u s LEU 156 N -0.66 4.29 0.30 2.53 2.96 -1.26 -5.07 118.68 121.76 2b3u s LEU 156 Ca 0.11 1.02 0.09 0.00 -0.22 0.00 0.00 54.13 55.12 2b3u s LEU 156 Cb -0.10 -2.91 -0.06 0.00 0.50 0.00 0.00 46.19 43.62 2b3u s LEU 156 CO -0.00 -0.07 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.49 2b3u s PHE 157 N 0.78 2.14 0.05 5.38 0.40 -1.26 -5.16 117.98 120.31 2b3u s PHE 157 Ca 0.32 -0.56 -0.05 0.00 -0.60 0.00 0.00 56.93 56.04 2b3u s PHE 157 Cb -0.17 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.19 2b3u s PHE 157 CO 0.14 0.47 0.09 -1.59 0.70 0.00 0.00 175.22 175.03 2b3u s LYS 158 N -3.64 0.65 -0.13 0.44 -2.85 -1.26 -5.13 119.74 107.81 2b3u s LYS 158 Ca 0.30 -0.90 -0.01 0.00 -1.00 0.00 0.00 55.97 54.36 2b3u s LYS 158 Cb 0.01 0.25 0.03 0.00 -2.06 0.00 0.00 37.83 36.07 2b3u s LYS 158 CO 0.14 -0.17 -0.05 0.42 0.10 0.00 0.00 175.35 175.79 2b3u s ILE 159 N -3.18 0.93 0.79 3.79 1.01 -1.26 -5.14 121.20 118.13 2b3u s ILE 159 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 2b3u s ILE 159 Cb 0.02 -1.07 0.07 0.00 0.01 0.00 0.00 42.46 41.49 2b3u s ILE 159 CO -0.07 0.21 1.14 -1.81 0.00 0.00 0.00 174.94 174.41 2b3u s ASP 160 N 1.73 4.68 0.26 3.58 1.01 -1.26 -4.80 116.67 121.86 2b3u s ASP 160 Ca 0.03 0.95 -0.02 0.00 0.71 0.00 0.00 52.55 54.22 2b3u s ASP 160 Cb -0.14 -1.57 0.56 0.00 1.01 0.00 0.00 42.92 42.78 2b3u s ASP 160 CO -0.08 -1.81 1.69 0.50 0.21 0.00 0.00 175.17 175.69 2b3u h LYS 161 N -0.99 0.33 -0.60 8.23 3.64 -2.01 -1.33 116.57 123.85 2b3u h LYS 161 Ca -0.46 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 58.98 2b3u h LYS 161 Cb 1.30 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 2b3u h LYS 161 CO 0.64 0.22 0.40 1.05 -2.27 0.00 0.00 179.45 179.49 2b3u h GLU 162 N 0.34 0.48 0.06 1.90 4.11 -2.00 -0.13 114.58 119.33 2b3u h GLU 162 Ca 0.47 -0.03 -0.23 0.00 0.07 0.00 0.00 59.36 59.64 2b3u h GLU 162 Cb 0.82 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.98 2b3u h GLU 162 CO -0.51 0.32 -0.92 1.88 0.07 0.00 0.00 179.01 179.85 2b3u h TYR 163 N 0.49 0.82 -0.75 2.06 0.05 -1.63 -2.95 116.97 115.06 2b3u h TYR 163 Ca 0.27 -0.48 -0.00 0.00 0.05 0.00 0.00 58.73 58.56 2b3u h TYR 163 Cb 0.42 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.04 2b3u h TYR 163 CO -0.00 1.32 0.45 -0.07 -1.05 0.00 0.00 178.16 178.81 2b3u h LEU 164 N 0.08 0.90 -0.22 3.88 3.38 -0.88 -2.76 115.31 119.69 2b3u h LEU 164 Ca -0.13 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2b3u h LEU 164 Cb 1.62 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2b3u h LEU 164 CO 0.18 0.69 0.12 0.25 0.09 0.00 0.00 178.44 179.77 2b3u h LEU 165 N 1.03 0.27 -1.11 1.67 5.85 -1.07 0.89 115.31 122.84 2b3u h LEU 165 Ca 0.27 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2b3u h LEU 165 Cb -0.04 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2b3u h LEU 165 CO -0.05 0.27 0.00 1.17 -0.34 0.00 0.00 178.44 179.49 2b3u n LYS 166 N -4.88 0.00 0.00 1.25 0.00 -1.04 -2.11 118.16 111.38 2b3u n LYS 166 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.28 2b3u n LYS 166 Cb 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 35.03 34.11 2b3u n LYS 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2b3u n ALA 168 N 0.50 0.00 -0.23 3.14 0.00 0.31 -2.70 120.51 121.52 2b3u n ALA 168 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2b3u n ALA 168 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2b3u n ALA 168 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2b3u n THR 169 N 0.00 0.86 1.29 0.00 -2.24 -0.90 -5.22 114.28 108.07 2b3u n THR 169 Ca 0.00 -0.87 0.13 0.00 -2.27 0.00 0.00 64.05 61.04 2b3u n THR 169 Cb 0.00 0.56 0.35 0.00 -2.10 0.00 0.00 70.33 69.13 2b3u n THR 169 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71