#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3u s VAL 5 N 0.00 0.54 -0.16 1.97 -7.23 -0.36 -4.97 120.40 110.19 2b3u s VAL 5 Ca 0.00 -0.58 -0.06 0.00 -1.81 0.00 0.00 61.98 59.53 2b3u s VAL 5 Cb 0.00 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 2b3u s VAL 5 CO 0.00 -0.05 0.04 -0.63 -0.31 0.00 0.00 175.10 174.15 2b3u s ILE 6 N -0.60 4.60 0.13 -0.62 -1.09 -1.26 -0.30 121.20 122.06 2b3u s ILE 6 Ca -0.02 -0.11 -0.15 0.00 -2.23 0.00 0.00 60.65 58.14 2b3u s ILE 6 Cb -0.05 -3.04 0.03 0.00 -1.58 0.00 0.00 42.46 37.81 2b3u s ILE 6 CO 0.00 0.50 0.38 0.00 -1.23 0.00 0.00 174.94 174.59 2b3u s ARG 7 N 0.11 1.09 0.69 2.79 1.70 -0.76 -4.97 118.95 119.59 2b3u s ARG 7 Ca 0.04 -0.79 -0.17 0.00 -0.47 0.00 0.00 55.73 54.34 2b3u s ARG 7 Cb -0.12 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.72 2b3u s ARG 7 CO 0.01 -0.42 1.28 -2.14 -1.08 0.00 0.00 175.30 172.95 2b3u s PRO 8 N -3.83 2.31 0.71 3.89 0.02 -1.26 -1.37 135.00 135.48 2b3u s PRO 8 Ca 0.05 2.00 -0.10 0.00 0.02 0.00 0.00 61.00 62.98 2b3u s PRO 8 Cb 0.02 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.75 2b3u s PRO 8 CO -0.10 -1.76 1.07 0.00 -0.33 0.00 0.00 177.00 175.87 2b3u s ALA 9 N -1.56 2.96 0.12 -1.55 0.00 0.00 -4.72 121.76 117.01 2b3u s ALA 9 Ca 0.81 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 2b3u s ALA 9 Cb -0.36 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2b3u s ALA 9 CO 0.42 -1.24 0.03 0.99 0.00 0.00 0.00 175.76 175.97 2b3u s THR 10 N -3.32 0.18 0.38 0.00 2.01 -1.26 -4.95 115.64 108.67 2b3u s THR 10 Ca 0.59 -1.90 0.15 0.00 0.31 0.00 0.00 61.69 60.84 2b3u s THR 10 Cb -0.11 -1.96 0.36 0.00 0.01 0.00 0.00 72.50 70.81 2b3u s THR 10 CO 0.48 -0.56 1.81 0.00 -0.69 0.00 0.00 174.62 175.66 2b3u h ALA 11 N 2.90 2.08 0.00 7.40 0.00 -1.97 0.52 119.26 130.19 2b3u h ALA 11 Ca -0.35 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2b3u h ALA 11 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2b3u h ALA 11 CO 0.61 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.43 2b3u h ALA 12 N 1.62 1.00 0.00 0.00 0.00 -2.03 -1.18 119.26 118.67 2b3u h ALA 12 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2b3u h ALA 12 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2b3u h ALA 12 CO -0.26 0.00 -0.96 -0.25 0.00 0.00 0.00 179.25 177.78 2b3u n ASP 13 N -2.69 0.81 -0.38 0.00 8.00 0.18 -4.42 116.55 118.05 2b3u n ASP 13 Ca -0.02 0.26 0.32 0.00 0.71 0.00 0.00 54.79 56.07 2b3u n ASP 13 Cb 0.09 0.44 0.59 0.00 -0.02 0.00 0.00 41.12 42.22 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 0.12 -0.12 -0.85 0.00 0.02 -1.79 -2.51 113.55 108.42 2b3u h SER 15 Ca 0.81 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.59 2b3u h SER 15 Cb 2.25 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 64.78 2b3u h SER 15 CO -0.58 0.07 0.42 0.44 -1.14 0.00 0.00 176.83 176.04 2b3u h ASP 16 N -0.32 1.09 -0.28 3.07 5.19 -1.34 -2.36 116.42 121.47 2b3u h ASP 16 Ca -0.01 -0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.28 2b3u h ASP 16 Cb 0.26 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2b3u h ASP 16 CO 0.02 0.91 0.17 0.40 -3.12 0.00 0.00 179.24 177.62 2b3u h ILE 17 N 1.20 1.04 -0.73 0.35 2.04 -1.32 -0.77 117.51 119.31 2b3u h ILE 17 Ca 0.29 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 66.06 2b3u h ILE 17 Cb 0.09 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2b3u h ILE 17 CO -0.04 0.06 0.47 0.25 0.00 0.00 0.00 178.15 178.89 2b3u h LEU 18 N 0.35 0.78 -0.66 1.44 5.85 -1.18 0.12 115.31 122.02 2b3u h LEU 18 Ca 0.11 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2b3u h LEU 18 Cb -0.02 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2b3u h LEU 18 CO -0.04 0.55 0.43 -0.09 -0.34 0.00 0.00 178.44 178.95 2b3u h ARG 19 N 0.93 0.86 -0.25 1.25 2.43 -0.90 -1.56 114.38 117.14 2b3u h ARG 19 Ca 0.29 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.24 2b3u h ARG 19 Cb -0.02 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.33 2b3u h ARG 19 CO -0.10 0.57 -0.52 -0.07 -1.51 0.00 0.00 179.97 178.34 2b3u h LEU 20 N 0.89 0.81 -0.67 3.80 3.38 -0.74 -1.99 115.31 120.77 2b3u h LEU 20 Ca 0.24 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.86 2b3u h LEU 20 Cb -0.10 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.36 2b3u h LEU 20 CO -0.05 1.18 0.35 0.40 0.09 0.00 0.00 178.44 180.41 2b3u h ILE 21 N 0.57 0.92 -0.05 1.22 2.04 -0.37 0.02 117.51 121.85 2b3u h ILE 21 Ca 0.02 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 2b3u h ILE 21 Cb 1.10 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2b3u h ILE 21 CO 0.11 0.12 -0.48 0.11 0.00 0.00 0.00 178.15 178.01 2b3u h LYS 22 N 0.63 0.13 -0.06 2.37 1.57 -1.13 0.23 116.57 120.32 2b3u h LYS 22 Ca 0.31 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2b3u h LYS 22 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2b3u h LYS 22 CO -0.22 0.58 0.01 0.93 -0.57 0.00 0.00 179.45 180.19 2b3u h GLU 23 N 0.10 0.09 -0.48 3.15 5.08 -0.50 -1.95 114.58 120.08 2b3u h GLU 23 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2b3u h GLU 23 Cb 0.89 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2b3u h GLU 23 CO 0.07 0.30 0.26 1.25 -1.00 0.00 0.00 179.01 179.88 2b3u h LEU 24 N -0.13 0.61 -0.61 1.33 5.85 -0.92 -2.48 115.31 118.96 2b3u h LEU 24 Ca 0.02 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.74 2b3u h LEU 24 Cb 0.25 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 2b3u h LEU 24 CO 0.00 0.53 0.21 0.00 -0.34 0.00 0.00 178.44 178.84 2b3u h ALA 25 N 1.10 0.78 -0.71 1.25 0.00 -0.83 -0.09 119.26 120.75 2b3u h ALA 25 Ca 0.17 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2b3u h ALA 25 Cb 0.07 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2b3u h ALA 25 CO -0.03 -0.22 0.47 -0.09 0.00 0.00 0.00 179.25 179.38 2b3u h ARG 26 N 0.37 0.92 0.00 0.00 2.43 -1.00 -0.61 114.38 116.50 2b3u h ARG 26 Ca 0.31 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 2b3u h ARG 26 Cb 0.42 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2b3u h ARG 26 CO -0.34 0.61 -0.29 -0.92 -1.51 0.00 0.00 179.97 177.52 2b3u h TYR 27 N 0.95 0.00 -0.70 2.20 3.20 -0.61 -2.74 116.97 119.27 2b3u h TYR 27 Ca 0.26 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2b3u h TYR 27 Cb -0.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.19 2b3u h TYR 27 CO -0.00 0.29 0.00 0.39 -1.64 0.00 0.00 178.16 177.20 2b3u n GLU 28 N -3.88 2.88 -2.57 1.82 -0.58 -0.32 -5.11 120.64 112.89 2b3u n GLU 28 Ca -0.02 -2.63 -0.04 0.00 -0.42 0.00 0.00 57.16 54.06 2b3u n GLU 28 Cb 0.37 -1.63 0.02 0.00 -0.57 0.00 0.00 31.44 29.63 2b3u n GLU 28 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2b3u n TYR 29 N 1.49 -1.80 0.00 -0.32 4.02 -0.71 -5.05 117.16 114.79 2b3u n TYR 29 Ca 0.24 0.66 0.00 0.00 -0.01 0.00 0.00 57.90 58.80 2b3u n TYR 29 Cb 0.66 -3.35 0.00 0.00 -0.02 0.00 0.00 39.34 36.63 2b3u n TYR 29 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2b3u n GLU 31 N -1.98 0.00 0.32 -0.72 2.13 -1.22 -5.01 120.64 114.16 2b3u n GLU 31 Ca -0.02 0.00 0.21 0.00 0.66 0.00 0.00 57.16 58.01 2b3u n GLU 31 Cb 0.53 0.00 1.08 0.00 0.27 0.00 0.00 31.44 33.32 2b3u n GLU 31 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2b3u h GLU 32 N 0.00 0.00 -0.01 5.31 4.39 -1.97 -2.23 114.58 120.07 2b3u h GLU 32 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2b3u h GLU 32 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2b3u h GLU 32 CO 0.00 0.00 -0.24 1.04 -1.16 0.00 0.00 179.01 178.65 2b3u n GLN 33 N -3.06 0.93 -2.08 2.33 1.13 -1.26 -4.91 117.38 110.47 2b3u n GLN 33 Ca -0.02 -0.56 -0.42 0.00 -1.94 0.00 0.00 57.00 54.06 2b3u n GLN 33 Cb 0.13 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 2b3u n GLN 33 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2b3u s VAL 34 N -2.45 3.32 0.00 5.09 1.01 -0.84 -4.85 120.40 121.67 2b3u s VAL 34 Ca 0.25 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2b3u s VAL 34 Cb 0.19 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2b3u s VAL 34 CO 0.50 0.01 0.80 -0.38 0.00 0.00 0.00 175.10 176.03 2b3u n ILE 35 N 4.52 0.63 -2.43 2.22 2.08 -1.26 -5.03 119.36 120.09 2b3u n ILE 35 Ca 0.14 -0.67 -0.40 0.00 0.56 0.00 0.00 62.75 62.38 2b3u n ILE 35 Cb 0.42 0.72 -0.04 0.00 -0.75 0.00 0.00 39.64 39.99 2b3u n ILE 35 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2b3u s LEU 36 N -0.63 4.53 0.14 1.39 2.96 -1.26 -5.03 118.68 120.77 2b3u s LEU 36 Ca 0.00 2.32 0.07 0.00 -0.22 0.00 0.00 54.13 56.29 2b3u s LEU 36 Cb 0.00 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 2b3u s LEU 36 CO 0.00 -0.20 -0.15 0.42 -1.32 0.00 0.00 176.35 175.10 2b3u s THR 37 N -1.17 1.47 0.59 3.68 -4.23 -1.26 -5.02 115.64 109.69 2b3u s THR 37 Ca 0.45 -1.80 0.28 0.00 -1.18 0.00 0.00 61.69 59.45 2b3u s THR 37 Cb -0.33 -1.64 0.36 0.00 1.34 0.00 0.00 72.50 72.24 2b3u s THR 37 CO 0.42 -0.40 2.05 -0.08 -0.54 0.00 0.00 174.62 176.07 2b3u h GLU 38 N 3.40 0.00 -0.00 3.99 4.81 -1.96 0.22 114.58 125.03 2b3u h GLU 38 Ca -0.40 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.60 2b3u h GLU 38 Cb 1.20 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.60 2b3u h GLU 38 CO 0.51 0.00 -0.87 0.87 -0.73 0.00 0.00 179.01 178.79 2b3u h LYS 39 N 0.00 0.60 -0.31 1.92 1.57 -1.96 -2.80 116.57 115.59 2b3u h LYS 39 Ca 0.12 -0.64 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 2b3u h LYS 39 Cb 0.65 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2b3u h LYS 39 CO -0.00 1.24 0.17 -0.44 -0.57 0.00 0.00 179.45 179.85 2b3u h ASP 40 N 0.21 0.39 0.07 0.86 3.32 -1.40 -1.35 116.42 118.52 2b3u h ASP 40 Ca -0.11 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 2b3u h ASP 40 Cb 1.55 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 41.00 2b3u h ASP 40 CO 0.17 0.37 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.98 2b3u h LEU 41 N 0.38 0.00 0.13 1.55 3.38 -1.26 0.94 115.31 120.42 2b3u h LEU 41 Ca 0.11 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.77 2b3u h LEU 41 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2b3u h LEU 41 CO -0.02 0.01 -1.54 0.25 0.09 0.00 0.00 178.44 177.23 2b3u h LEU 42 N 0.00 0.42 0.00 1.67 5.85 -1.08 -1.90 115.31 120.27 2b3u h LEU 42 Ca -0.00 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.14 2b3u h LEU 42 Cb 0.05 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2b3u h LEU 42 CO 0.00 1.48 -0.20 -0.33 -0.34 0.00 0.00 178.44 179.05 2b3u h GLU 43 N 0.07 0.00 0.00 1.25 5.08 -0.25 -3.20 114.58 117.53 2b3u h GLU 43 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2b3u h GLU 43 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2b3u h GLU 43 CO 0.17 0.00 -0.62 -0.25 -1.00 0.00 0.00 179.01 177.31 2b3u n ASP 44 N -2.28 2.18 0.03 1.42 8.00 0.23 -4.59 116.55 121.54 2b3u n ASP 44 Ca 0.05 -0.29 0.11 0.00 0.71 0.00 0.00 54.79 55.37 2b3u n ASP 44 Cb 0.44 1.06 0.06 0.00 -0.02 0.00 0.00 41.12 42.66 2b3u n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b3u n GLY 45 N 1.68 -1.24 2.52 0.44 0.00 -0.71 -1.08 105.19 106.81 2b3u n GLY 45 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.95 -2.13 -3.64 1.61 3.01 -1.21 -4.92 117.46 108.23 2b3u n PHE 46 Ca 0.02 -2.49 -0.07 0.00 1.01 0.00 0.00 57.45 55.92 2b3u n PHE 46 Cb 0.43 0.80 -0.07 0.00 -0.01 0.00 0.00 39.48 40.63 2b3u n PHE 46 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2b3u s PRO 50 N -0.09 0.38 0.00 -1.08 0.04 -1.26 -5.02 135.00 127.98 2b3u s PRO 50 Ca 0.33 0.44 0.26 0.00 0.04 0.00 0.00 61.00 62.08 2b3u s PRO 50 Cb 0.21 0.19 0.73 0.00 0.04 0.00 0.00 34.50 35.67 2b3u s PRO 50 CO -0.19 -0.05 1.55 1.19 0.04 0.00 0.00 177.00 179.55 2b3u n PHE 51 N 2.00 0.00 -3.56 0.56 3.72 -0.24 -4.95 117.46 114.99 2b3u n PHE 51 Ca -0.12 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.21 2b3u n PHE 51 Cb 0.56 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 39.03 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 -2.27 -0.29 0.01 1.38 -0.85 -1.24 -4.89 117.35 109.20 2b3u s TYR 52 Ca 0.29 0.13 0.06 0.00 -0.52 0.00 0.00 57.07 57.03 2b3u s TYR 52 Cb 0.20 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 43.08 2b3u s TYR 52 CO 0.44 -0.59 -0.19 -1.01 -1.52 0.00 0.00 175.55 172.68 2b3u s HIS 53 N -3.14 1.68 0.01 -3.49 3.76 0.77 -4.65 115.29 110.23 2b3u s HIS 53 Ca 0.07 -0.34 0.07 0.00 -0.15 0.00 0.00 55.06 54.71 2b3u s HIS 53 Cb -0.01 -1.04 -0.02 0.00 1.11 0.00 0.00 32.58 32.62 2b3u s HIS 53 CO -0.07 0.03 -0.22 0.00 -0.85 0.00 0.00 174.74 173.63 2b3u s LEU 55 N -0.78 2.97 0.02 0.00 1.43 0.27 -0.82 118.68 121.77 2b3u s LEU 55 Ca 0.08 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2b3u s LEU 55 Cb -0.09 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 2b3u s LEU 55 CO 0.00 0.23 -0.05 0.68 0.23 0.00 0.00 176.35 177.43 2b3u s VAL 56 N -1.08 0.38 -0.32 -1.59 -7.23 -0.47 -1.66 120.40 108.43 2b3u s VAL 56 Ca 0.18 -0.64 -0.14 0.00 -1.81 0.00 0.00 61.98 59.57 2b3u s VAL 56 Cb -0.11 -0.40 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 2b3u s VAL 56 CO 0.10 -0.19 0.31 0.00 -0.31 0.00 0.00 175.10 175.02 2b3u s ALA 57 N -0.81 3.52 -0.09 1.32 0.00 0.04 -1.83 121.76 123.90 2b3u s ALA 57 Ca -0.06 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2b3u s ALA 57 Cb -0.06 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 2b3u s ALA 57 CO -0.00 -0.87 -0.09 -2.00 0.00 0.00 0.00 175.76 172.79 2b3u s GLU 58 N 1.94 3.02 0.26 0.00 2.12 0.59 -1.20 118.70 125.42 2b3u s GLU 58 Ca 0.11 -0.61 0.08 0.00 0.36 0.00 0.00 54.97 54.90 2b3u s GLU 58 Cb -0.16 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.58 2b3u s GLU 58 CO 0.11 0.47 0.14 0.14 -0.54 0.00 0.00 175.26 175.58 2b3u s VAL 59 N -0.30 4.17 0.88 3.70 -7.23 0.44 -1.22 120.40 120.84 2b3u s VAL 59 Ca 0.03 -1.54 -0.12 0.00 -1.81 0.00 0.00 61.98 58.54 2b3u s VAL 59 Cb -0.13 -3.25 0.12 0.00 0.56 0.00 0.00 36.38 33.68 2b3u s VAL 59 CO 0.03 -0.36 1.14 -2.84 -0.31 0.00 0.00 175.10 172.76 2b3u s PRO 60 N -3.80 1.37 0.45 4.82 0.02 -1.26 -4.72 135.00 131.88 2b3u s PRO 60 Ca 0.32 0.28 0.12 0.00 0.02 0.00 0.00 61.00 61.75 2b3u s PRO 60 Cb -0.07 -1.87 1.00 0.00 0.02 0.00 0.00 34.50 33.58 2b3u s PRO 60 CO 0.24 -2.04 2.04 -0.22 -0.33 0.00 0.00 177.00 176.69 2b3u h LYS 61 N -1.38 0.20 0.00 5.54 3.64 -1.98 0.17 116.57 122.75 2b3u h LYS 61 Ca -0.49 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2b3u h LYS 61 Cb 1.33 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2b3u h LYS 61 CO 0.63 0.22 0.00 0.39 -2.27 0.00 0.00 179.45 178.41 2b3u n GLU 62 N -4.42 0.01 -0.00 1.90 4.71 -1.26 -1.97 120.64 119.61 2b3u n GLU 62 Ca -0.01 0.20 0.06 0.00 -0.01 0.00 0.00 57.16 57.40 2b3u n GLU 62 Cb 0.15 -1.52 -0.07 0.00 -1.01 0.00 0.00 31.44 28.99 2b3u n GLU 62 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2b3u n HIS 63 N -1.53 0.00 -1.46 -0.32 8.25 0.45 -5.02 115.22 115.58 2b3u n HIS 63 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 2b3u n HIS 63 Cb 0.21 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.33 2b3u n HIS 63 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 2b3u n TRP 64 N -1.32 -0.57 -0.66 4.41 7.02 -0.42 -4.88 117.44 121.02 2b3u n TRP 64 Ca 0.02 0.52 -0.30 0.00 -1.02 0.00 0.00 57.50 56.72 2b3u n TRP 64 Cb 0.20 -1.98 0.20 0.00 -2.42 0.00 0.00 31.31 27.31 2b3u n TRP 64 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2b3u s THR 65 N -1.60 2.10 0.40 -0.99 -4.23 -0.16 -4.80 115.64 106.35 2b3u s THR 65 Ca 0.65 0.03 0.16 0.00 -1.18 0.00 0.00 61.69 61.36 2b3u s THR 65 Cb -0.52 -2.09 0.37 0.00 1.34 0.00 0.00 72.50 71.61 2b3u s THR 65 CO 0.57 -0.04 1.82 -0.65 -0.54 0.00 0.00 174.62 175.78 2b3u h PRO 66 N -2.13 0.45 -0.50 3.99 0.11 -1.91 0.70 132.00 132.70 2b3u h PRO 66 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2b3u h PRO 66 Cb 1.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2b3u h PRO 66 CO 0.45 0.30 0.00 0.39 -0.21 0.00 0.00 178.00 178.93 2b3u n GLU 67 N -4.57 2.34 -0.15 1.05 4.71 -1.26 -4.97 120.64 117.79 2b3u n GLU 67 Ca 0.21 -2.07 0.00 0.00 -0.01 0.00 0.00 57.16 55.30 2b3u n GLU 67 Cb 0.72 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.68 2b3u n GLU 67 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2b3u n GLY 68 N 1.43 0.91 3.78 0.62 0.00 0.24 -5.09 105.19 107.08 2b3u n GLY 68 Ca 0.19 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 3.86 -0.48 1.61 3.76 -1.26 -4.79 115.29 115.99 2b3u s HIS 69 Ca 0.00 1.59 0.16 0.00 -0.15 0.00 0.00 55.06 56.66 2b3u s HIS 69 Cb 0.00 -2.74 -0.20 0.00 1.11 0.00 0.00 32.58 30.75 2b3u s HIS 69 CO 0.00 0.48 0.55 -1.13 -0.85 0.00 0.00 174.74 173.79 2b3u n SER 70 N 1.41 0.95 -4.60 1.40 3.41 -1.26 -0.99 113.62 113.95 2b3u n SER 70 Ca -0.05 -0.55 -0.38 0.00 -0.26 0.00 0.00 58.87 57.62 2b3u n SER 70 Cb 0.49 1.27 -0.10 0.00 -0.26 0.00 0.00 64.21 65.61 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 -2.71 5.25 -0.23 -1.33 -1.09 -1.26 -0.42 121.20 119.41 2b3u s ILE 71 Ca 0.02 0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.84 2b3u s ILE 71 Cb 0.11 -3.61 0.10 0.00 -1.58 0.00 0.00 42.46 37.49 2b3u s ILE 71 CO 0.65 0.21 1.08 1.33 -1.23 0.00 0.00 174.94 176.98 2b3u n VAL 72 N 5.05 1.09 -3.61 2.92 0.24 -0.34 -5.01 118.33 118.66 2b3u n VAL 72 Ca -0.11 -1.10 -0.02 0.00 -2.04 0.00 0.00 64.34 61.06 2b3u n VAL 72 Cb 0.51 0.44 -0.02 0.00 -1.47 0.00 0.00 33.84 33.30 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 -1.14 -0.31 0.29 7.63 0.00 -1.24 -4.53 107.32 108.02 2b3u s GLY 73 Ca 0.08 1.48 -0.20 0.00 0.00 0.00 0.00 44.72 46.08 2b3u s GLY 73 CO 0.04 0.46 0.75 -0.11 0.00 0.00 0.00 173.10 174.25 2b3u s PHE 74 N -2.29 -0.12 0.00 1.90 -0.71 -0.20 -0.78 117.98 115.78 2b3u s PHE 74 Ca 0.11 -0.38 0.00 0.00 -1.04 0.00 0.00 56.93 55.62 2b3u s PHE 74 Cb 0.01 0.73 0.00 0.00 -1.21 0.00 0.00 43.02 42.55 2b3u s PHE 74 CO -0.04 -1.28 0.00 0.00 -1.34 0.00 0.00 175.22 172.56 2b3u n ALA 75 N -0.48 0.00 0.00 1.99 0.00 -0.67 -1.43 120.51 119.93 2b3u n ALA 75 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2b3u n ALA 75 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 0.00 -3.88 0.00 0.18 0.39 -0.57 117.16 113.29 2b3u n TYR 77 Ca 0.00 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.69 2b3u n TYR 77 Cb 0.00 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 38.95 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 -2.00 0.10 -0.06 -3.48 -0.85 -0.68 -0.16 117.35 110.21 2b3u s TYR 78 Ca 0.00 -0.61 -0.03 0.00 -0.52 0.00 0.00 57.07 55.91 2b3u s TYR 78 Cb 0.00 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 2b3u s TYR 78 CO 0.00 -1.33 0.07 -0.06 -1.52 0.00 0.00 175.55 172.72 2b3u s PHE 79 N -3.25 3.34 0.33 -3.49 0.08 -1.26 -0.42 117.98 113.31 2b3u s PHE 79 Ca 0.16 0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.52 2b3u s PHE 79 Cb -0.05 -1.81 -0.01 0.00 -0.57 0.00 0.00 43.02 40.59 2b3u s PHE 79 CO 0.10 0.58 0.06 0.25 -0.10 0.00 0.00 175.22 176.11 2b3u n THR 80 N 1.71 0.00 -3.89 0.64 -2.24 -0.52 -4.91 114.28 105.08 2b3u n THR 80 Ca -0.17 -1.74 -0.12 0.00 -2.27 0.00 0.00 64.05 59.76 2b3u n THR 80 Cb 0.54 0.50 -0.14 0.00 -2.10 0.00 0.00 70.33 69.13 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 -2.52 0.04 -0.13 4.78 6.14 -1.26 -0.78 117.35 123.61 2b3u s TYR 81 Ca 0.08 -0.07 0.02 0.00 0.64 0.00 0.00 57.07 57.74 2b3u s TYR 81 Cb 0.00 -0.03 0.01 0.00 0.42 0.00 0.00 41.96 42.37 2b3u s TYR 81 CO 0.06 -0.03 -0.19 0.34 0.64 0.00 0.00 175.55 176.37 2b3u s ASP 82 N -0.20 2.86 0.11 4.32 -1.08 0.22 -4.95 116.67 117.93 2b3u s ASP 82 Ca -0.02 -0.54 0.13 0.00 -0.52 0.00 0.00 52.55 51.60 2b3u s ASP 82 Cb -0.01 -1.31 0.61 0.00 -1.46 0.00 0.00 42.92 40.74 2b3u s ASP 82 CO -0.00 0.04 1.41 -0.81 0.52 0.00 0.00 175.17 176.33 2b3u n PRO 83 N 4.23 0.06 -0.02 4.34 -0.04 -1.26 0.41 135.00 142.71 2b3u n PRO 83 Ca -0.19 0.42 -0.21 0.00 -0.04 0.00 0.00 63.50 63.47 2b3u n PRO 83 Cb 0.51 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 2b3u n PRO 83 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2b3u n TRP 84 N -1.78 1.09 -0.25 0.54 8.01 -1.26 -4.71 117.44 119.08 2b3u n TRP 84 Ca 0.01 0.25 0.00 0.00 -1.31 0.00 0.00 57.50 56.46 2b3u n TRP 84 Cb 0.11 -1.14 0.00 0.00 -2.01 0.00 0.00 31.31 28.27 2b3u n TRP 84 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.69 177.12 2b3u n ILE 85 N -3.58 0.01 -1.15 -0.99 -5.35 -1.14 -5.14 119.36 102.02 2b3u n ILE 85 Ca -0.34 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 2b3u n ILE 85 Cb 1.00 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 40.14 2b3u n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b3u n GLY 86 N -0.01 0.05 3.74 3.28 0.00 0.16 -4.81 105.19 107.61 2b3u n GLY 86 Ca 0.00 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 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 0.00 4.15 0.18 1.61 1.02 -1.26 -0.61 119.74 124.83 2b3u s LYS 87 Ca 0.00 2.52 0.07 0.00 0.02 0.00 0.00 55.97 58.58 2b3u s LYS 87 Cb 0.00 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 2b3u s LYS 87 CO 0.00 -0.62 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.16 2b3u s LEU 88 N -0.03 2.51 -0.17 3.17 1.43 0.04 -2.69 118.68 122.94 2b3u s LEU 88 Ca 0.65 -0.96 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2b3u s LEU 88 Cb -0.47 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 2b3u s LEU 88 CO 0.43 -0.17 0.02 -0.22 0.23 0.00 0.00 176.35 176.64 2b3u s LEU 89 N -3.07 3.60 -0.21 1.79 2.96 -0.63 -1.44 118.68 121.70 2b3u s LEU 89 Ca 0.18 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 2b3u s LEU 89 Cb -0.02 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 2b3u s LEU 89 CO 0.05 0.18 -0.05 -0.47 -1.32 0.00 0.00 176.35 174.75 2b3u s TYR 90 N 0.31 2.95 -0.50 5.38 5.04 0.44 -1.31 117.35 129.66 2b3u s TYR 90 Ca 0.01 -0.84 -0.21 0.00 -2.44 0.00 0.00 57.07 53.59 2b3u s TYR 90 Cb -0.13 -2.07 0.05 0.00 0.35 0.00 0.00 41.96 40.15 2b3u s TYR 90 CO 0.01 -0.47 0.70 -1.17 -1.34 0.00 0.00 175.55 173.28 2b3u s LEU 91 N 1.29 4.68 -0.03 6.97 2.96 -0.29 -1.69 118.68 132.56 2b3u s LEU 91 Ca 0.03 -0.67 -0.23 0.00 -0.22 0.00 0.00 54.13 53.05 2b3u s LEU 91 Cb -0.14 -2.59 -0.24 0.00 0.50 0.00 0.00 46.19 43.72 2b3u s LEU 91 CO -0.02 -0.94 1.04 -0.08 -1.32 0.00 0.00 176.35 175.04 2b3u h GLU 92 N 9.03 0.27 -3.36 1.98 4.57 -1.92 -3.41 114.58 121.75 2b3u h GLU 92 Ca -0.27 -0.30 -0.14 0.00 -1.18 0.00 0.00 59.36 57.47 2b3u h GLU 92 Cb 1.09 0.09 -0.21 0.00 -0.16 0.00 0.00 28.75 29.55 2b3u h GLU 92 CO 0.97 1.02 -0.44 -0.51 -1.18 0.00 0.00 179.01 178.87 2b3u s ASP 93 N -6.53 -0.06 -0.17 1.04 1.01 -1.26 -4.89 116.67 105.81 2b3u s ASP 93 Ca -0.15 -0.04 -0.07 0.00 0.71 0.00 0.00 52.55 53.01 2b3u s ASP 93 Cb 0.02 0.27 0.07 0.00 1.01 0.00 0.00 42.92 44.29 2b3u s ASP 93 CO 0.78 -0.33 0.37 0.12 0.21 0.00 0.00 175.17 176.32 2b3u s PHE 94 N -1.11 -0.63 -0.19 4.23 5.36 -1.26 -4.18 117.98 120.20 2b3u s PHE 94 Ca -0.12 1.29 -0.20 0.00 -0.96 0.00 0.00 56.93 56.94 2b3u s PHE 94 Cb -0.06 0.21 0.05 0.00 -0.34 0.00 0.00 43.02 42.88 2b3u s PHE 94 CO 0.02 -0.40 0.56 0.12 -1.46 0.00 0.00 175.22 174.06 2b3u s PHE 95 N 2.10 -0.60 0.00 10.12 5.36 -0.51 -5.01 117.98 129.43 2b3u s PHE 95 Ca -0.04 1.43 0.00 0.00 -0.96 0.00 0.00 56.93 57.36 2b3u s PHE 95 Cb -0.11 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.79 2b3u s PHE 95 CO -0.12 -0.32 0.00 0.28 -1.46 0.00 0.00 175.22 173.60 2b3u n VAL 96 N 2.60 0.00 -0.11 3.12 0.31 -1.26 -1.03 118.33 121.95 2b3u n VAL 96 Ca -0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.95 2b3u n VAL 96 Cb 0.56 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.39 2b3u n VAL 96 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2b3u n SER 98 N 0.00 1.89 0.00 4.52 2.88 -1.26 -4.84 113.62 116.81 2b3u n SER 98 Ca 0.00 0.40 0.01 0.00 -1.33 0.00 0.00 58.87 57.96 2b3u n SER 98 Cb 0.00 -0.90 0.06 0.00 -0.75 0.00 0.00 64.21 62.62 2b3u n SER 98 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2b3u n ASP 99 N -4.38 0.00 -0.37 -3.46 10.43 -1.26 -2.42 116.55 115.10 2b3u n ASP 99 Ca -0.38 0.47 0.08 0.00 2.57 0.00 0.00 54.79 57.53 2b3u n ASP 99 Cb 0.73 -0.48 0.18 0.00 1.84 0.00 0.00 41.12 43.39 2b3u n ASP 99 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2b3u n TYR 100 N -1.48 0.01 -0.51 1.24 4.01 -1.26 -4.84 117.16 114.33 2b3u n TYR 100 Ca 0.01 -1.27 -0.06 0.00 -0.16 0.00 0.00 57.90 56.42 2b3u n TYR 100 Cb 0.03 -0.21 0.22 0.00 -0.31 0.00 0.00 39.34 39.08 2b3u n TYR 100 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2b3u n ARG 101 N -1.26 2.96 0.00 -0.72 1.74 -1.01 -4.16 116.66 114.20 2b3u n ARG 101 Ca 0.18 -2.27 0.00 0.00 -0.77 0.00 0.00 57.85 54.98 2b3u n ARG 101 Cb 0.67 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2b3u n ARG 101 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b3u n GLY 102 N -0.09 0.65 0.00 -0.13 0.00 -1.26 -4.70 105.19 99.66 2b3u n GLY 102 Ca 0.32 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.90 0.00 -1.74 1.61 3.72 -1.26 -4.86 117.46 114.03 2b3u n PHE 103 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2b3u n PHE 103 Cb 0.00 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 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 0.09 0.49 0.17 1.37 0.00 -1.26 -4.98 105.19 101.07 2b3u n GLY 104 Ca 0.06 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 1.32 -0.86 -0.61 2.04 -1.89 -2.67 117.51 114.84 2b3u h ILE 105 Ca 0.00 -1.38 0.07 0.00 1.00 0.00 0.00 64.86 64.55 2b3u h ILE 105 Cb 0.82 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 38.57 2b3u h ILE 105 CO 0.00 0.42 0.53 1.23 0.00 0.00 0.00 178.15 180.33 2b3u h GLY 106 N 0.21 1.31 0.90 5.37 0.00 -1.93 -0.19 103.07 108.73 2b3u h GLY 106 Ca 0.03 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.01 2b3u h GLY 106 CO 0.05 0.24 0.34 0.23 0.00 0.00 0.00 176.54 177.40 2b3u h SER 107 N 0.94 0.56 -0.37 0.19 0.87 -1.96 -1.89 113.55 111.89 2b3u h SER 107 Ca 0.38 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.86 2b3u h SER 107 Cb 0.21 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2b3u h SER 107 CO -0.19 0.39 -0.06 -0.33 -0.53 0.00 0.00 176.83 176.11 2b3u h GLU 108 N 0.68 0.79 -0.69 2.24 4.39 -0.93 -1.69 114.58 119.37 2b3u h GLU 108 Ca 0.22 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2b3u h GLU 108 Cb 0.00 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 2b3u h GLU 108 CO -0.09 0.84 0.34 0.82 -1.16 0.00 0.00 179.01 179.76 2b3u h ILE 109 N 0.73 1.23 -0.59 3.13 2.04 -0.57 -0.18 117.51 123.29 2b3u h ILE 109 Ca 0.13 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 2b3u h ILE 109 Cb 0.53 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2b3u h ILE 109 CO 0.03 0.26 0.09 -0.07 0.00 0.00 0.00 178.15 178.47 2b3u h LEU 110 N 0.96 0.91 -0.81 1.44 3.38 -1.08 0.27 115.31 120.38 2b3u h LEU 110 Ca 0.24 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2b3u h LEU 110 Cb 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2b3u h LEU 110 CO -0.03 0.92 0.29 0.11 0.09 0.00 0.00 178.44 179.82 2b3u h LYS 111 N 0.91 1.17 -0.25 1.13 1.57 -0.71 0.15 116.57 120.54 2b3u h LYS 111 Ca 0.18 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2b3u h LYS 111 Cb 0.40 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2b3u h LYS 111 CO 0.01 0.96 0.08 -0.97 -0.57 0.00 0.00 179.45 178.96 2b3u h ASN 112 N 1.13 0.36 -0.93 0.86 -0.73 -0.39 -1.73 115.58 114.16 2b3u h ASN 112 Ca 0.26 -0.19 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 2b3u h ASN 112 Cb 0.24 -0.09 -0.04 0.00 0.27 0.00 0.00 38.32 38.69 2b3u h ASN 112 CO -0.02 0.46 0.55 -0.07 -0.37 0.00 0.00 177.43 177.98 2b3u h LEU 113 N 0.24 1.12 -1.19 0.34 3.38 -0.69 -0.62 115.31 117.89 2b3u h LEU 113 Ca 0.08 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2b3u h LEU 113 Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2b3u h LEU 113 CO -0.00 0.87 0.10 0.28 0.09 0.00 0.00 178.44 179.77 2b3u h SER 114 N 1.28 0.61 -0.45 -0.43 0.02 -0.31 -0.35 113.55 113.93 2b3u h SER 114 Ca 0.33 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 61.10 2b3u h SER 114 Cb -0.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2b3u h SER 114 CO -0.06 0.62 -0.06 1.56 -1.14 0.00 0.00 176.83 177.74 2b3u h GLN 115 N 0.65 0.83 -0.40 3.45 4.20 -0.45 -2.60 115.11 120.79 2b3u h GLN 115 Ca 0.15 -0.30 0.04 0.00 0.06 0.00 0.00 58.65 58.60 2b3u h GLN 115 Cb 0.25 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 2b3u h GLN 115 CO -0.00 0.92 0.16 0.28 -0.67 0.00 0.00 178.83 179.52 2b3u h VAL 116 N 0.67 0.91 0.00 -0.54 2.07 -0.54 -1.82 116.25 116.99 2b3u h VAL 116 Ca 0.12 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2b3u h VAL 116 Cb 0.59 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2b3u h VAL 116 CO 0.04 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.69 2b3u n ALA 117 N -2.34 1.25 0.00 1.67 0.00 -0.20 -1.65 120.51 119.24 2b3u n ALA 117 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2b3u n ALA 117 Cb 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.77 0.00 -0.08 0.00 1.74 -0.68 -0.85 116.66 117.56 2b3u n ARG 119 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 2b3u n ARG 119 Cb 0.00 0.00 0.32 0.00 -1.02 0.00 0.00 32.46 31.76 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 0.03 -5.18 -3.19 0.00 1.74 -0.75 -4.98 116.66 104.34 2b3u n ARG 121 Ca 0.13 0.64 -0.39 0.00 -0.77 0.00 0.00 57.85 57.46 2b3u n ARG 121 Cb 0.23 -5.28 -0.05 0.00 -1.02 0.00 0.00 32.46 26.33 2b3u n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2b3u n SER 123 N 3.18 1.05 0.00 0.00 3.41 -1.10 -4.94 113.62 115.22 2b3u n SER 123 Ca -0.05 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 2b3u n SER 123 Cb 0.51 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 2b3u n SER 123 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2b3u n SER 124 N -0.76 0.81 -3.59 4.04 2.88 -1.26 -5.09 113.62 110.65 2b3u n SER 124 Ca 0.10 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.59 2b3u n SER 124 Cb 0.36 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.83 -0.18 -0.08 0.66 3.76 -0.43 -1.60 115.29 116.59 2b3u s HIS 126 Ca 0.00 0.21 -0.32 0.00 -0.15 0.00 0.00 55.06 54.80 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 -0.24 1.13 -0.59 -0.85 0.00 0.00 174.74 174.20 2b3u s PHE 127 N -1.94 -0.16 0.09 1.40 -0.12 -1.26 -1.14 117.98 114.85 2b3u s PHE 127 Ca 0.06 0.05 0.03 0.00 -0.05 0.00 0.00 56.93 57.03 2b3u s PHE 127 Cb -0.01 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 2b3u s PHE 127 CO -0.04 -0.35 0.08 -0.51 -0.05 0.00 0.00 175.22 174.34 2b3u s LEU 128 N -2.50 3.77 -0.01 -1.99 1.43 -1.26 -5.06 118.68 113.07 2b3u s LEU 128 Ca 0.10 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2b3u s LEU 128 Cb 0.00 -2.45 -0.00 0.00 0.03 0.00 0.00 46.19 43.77 2b3u s LEU 128 CO -0.05 0.16 -0.05 -0.69 0.23 0.00 0.00 176.35 175.96 2b3u s VAL 129 N -1.42 0.39 0.42 -1.59 1.01 -1.26 -5.08 120.40 112.87 2b3u s VAL 129 Ca 0.29 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.83 2b3u s VAL 129 Cb -0.12 -0.34 -0.08 0.00 0.00 0.00 0.00 36.38 35.83 2b3u s VAL 129 CO 0.22 0.12 1.29 0.00 0.00 0.00 0.00 175.10 176.73 2b3u s ALA 130 N 0.01 3.21 0.28 5.51 0.00 -1.26 -4.91 121.76 124.59 2b3u s ALA 130 Ca 0.00 1.20 0.03 0.00 0.00 0.00 0.00 51.96 53.20 2b3u s ALA 130 Cb -0.03 -3.48 0.68 0.00 0.00 0.00 0.00 23.12 20.29 2b3u s ALA 130 CO -0.00 -0.83 1.72 0.93 0.00 0.00 0.00 175.76 177.58 2b3u h GLU 131 N 2.56 0.48 -0.25 0.00 4.39 -2.05 -1.65 114.58 118.06 2b3u h GLU 131 Ca -0.50 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.18 2b3u h GLU 131 Cb 1.25 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2b3u h GLU 131 CO 0.62 0.32 0.00 -2.67 -1.16 0.00 0.00 179.01 176.12 2b3u n TRP 132 N -4.97 0.31 -1.85 4.33 2.14 -1.26 -4.71 117.44 111.43 2b3u n TRP 132 Ca 0.21 -0.16 -0.42 0.00 2.07 0.00 0.00 57.50 59.21 2b3u n TRP 132 Cb 0.59 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 31.09 2b3u n TRP 132 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 2b3u n ASN 133 N 0.80 5.25 -0.28 -0.67 4.05 -0.62 -4.76 115.26 119.03 2b3u n ASN 133 Ca 0.17 -2.90 0.02 0.00 0.45 0.00 0.00 54.58 52.32 2b3u n ASN 133 Cb 0.44 -1.57 0.15 0.00 1.23 0.00 0.00 39.78 40.03 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 5.67 0.73 -0.94 1.20 4.39 -1.85 0.12 114.58 123.90 2b3u h GLU 134 Ca 0.58 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.25 2b3u h GLU 134 Cb 0.56 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 2b3u h GLU 134 CO 1.77 0.48 0.62 -1.35 -1.16 0.00 0.00 179.01 179.38 2b3u h PRO 135 N 0.75 1.21 -0.09 2.33 0.11 -2.00 0.19 132.00 134.50 2b3u h PRO 135 Ca 0.37 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 66.24 2b3u h PRO 135 Cb 0.33 -0.27 0.01 0.00 0.11 0.00 0.00 31.00 31.17 2b3u h PRO 135 CO -0.24 0.80 -0.60 0.77 -0.21 0.00 0.00 178.00 178.52 2b3u h SER 136 N 1.25 0.69 -0.43 -2.05 0.02 -1.77 -1.98 113.55 109.27 2b3u h SER 136 Ca 0.35 -0.66 0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2b3u h SER 136 Cb -0.10 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.18 2b3u h SER 136 CO -0.09 1.24 0.15 0.40 -1.14 0.00 0.00 176.83 177.40 2b3u h ILE 137 N 0.18 0.86 -0.44 3.27 2.04 -0.37 -1.00 117.51 122.06 2b3u h ILE 137 Ca -0.05 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 2b3u h ILE 137 Cb 1.25 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2b3u h ILE 137 CO 0.12 0.06 -0.02 0.78 0.00 0.00 0.00 178.15 179.09 2b3u h ASN 138 N 0.32 0.78 -0.57 1.72 2.35 -1.03 0.11 115.58 119.26 2b3u h ASN 138 Ca 0.20 -0.32 0.08 0.00 -0.55 0.00 0.00 56.30 55.71 2b3u h ASN 138 Cb 0.19 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.29 2b3u h ASN 138 CO -0.21 0.91 0.24 0.15 -1.65 0.00 0.00 177.43 176.87 2b3u h PHE 139 N 0.63 0.42 -0.11 1.19 3.04 -0.96 0.11 116.94 121.26 2b3u h PHE 139 Ca 0.12 0.03 -0.20 0.00 3.98 0.00 0.00 57.97 61.90 2b3u h PHE 139 Cb 0.52 -0.10 0.01 0.00 2.56 0.00 0.00 35.95 38.94 2b3u h PHE 139 CO 0.04 0.15 -0.71 1.88 -2.02 0.00 0.00 178.31 177.65 2b3u h TYR 140 N 0.44 0.92 -0.57 0.41 0.05 -1.04 -3.25 116.97 113.93 2b3u h TYR 140 Ca 0.28 -0.42 -0.04 0.00 0.05 0.00 0.00 58.73 58.59 2b3u h TYR 140 Cb 0.29 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 2b3u h TYR 140 CO -0.14 1.24 0.18 0.87 -1.05 0.00 0.00 178.16 179.26 2b3u h LYS 141 N 0.34 0.85 0.00 4.88 1.57 -0.49 -0.72 116.57 123.00 2b3u h LYS 141 Ca -0.06 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2b3u h LYS 141 Cb 1.35 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2b3u h LYS 141 CO 0.14 0.73 0.00 0.00 -0.57 0.00 0.00 179.45 179.76 2b3u h ARG 142 N 0.83 0.00 -0.50 3.15 3.08 -0.82 -0.61 114.38 119.51 2b3u h ARG 142 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2b3u h ARG 142 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2b3u h ARG 142 CO -0.01 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.43 2b3u n ARG 143 N -2.83 2.56 0.00 0.04 1.74 -0.38 -4.95 116.66 112.85 2b3u n ARG 143 Ca -0.02 -2.39 0.00 0.00 -0.77 0.00 0.00 57.85 54.67 2b3u n ARG 143 Cb 0.11 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.49 0.50 3.73 -0.13 0.00 -0.23 -5.08 105.19 105.46 2b3u n GLY 144 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 2.39 0.04 4.61 0.00 -0.59 -4.97 121.76 121.24 2b3u s ALA 145 Ca 0.00 1.22 0.05 0.00 0.00 0.00 0.00 51.96 53.23 2b3u s ALA 145 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2b3u s ALA 145 CO 0.00 -1.59 -0.14 -1.54 0.00 0.00 0.00 175.76 172.49 2b3u s SER 146 N -1.38 1.61 -0.53 0.00 1.04 -1.26 -4.57 113.70 108.60 2b3u s SER 146 Ca 0.82 -0.47 -0.28 0.00 0.48 0.00 0.00 55.95 56.50 2b3u s SER 146 Cb -0.38 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 65.67 2b3u s SER 146 CO 0.40 0.01 1.25 -0.62 0.98 0.00 0.00 173.24 175.26 2b3u s ASP 147 N -1.19 6.42 0.18 7.02 -1.08 -1.26 -4.91 116.67 121.86 2b3u s ASP 147 Ca 0.01 0.31 0.05 0.00 -0.52 0.00 0.00 52.55 52.40 2b3u s ASP 147 Cb -0.08 -2.55 0.04 0.00 -1.46 0.00 0.00 42.92 38.87 2b3u s ASP 147 CO 0.01 -1.46 1.42 0.25 0.52 0.00 0.00 175.17 175.90 2b3u h LEU 148 N 12.00 0.14 -1.10 -1.34 5.85 -1.97 0.29 115.31 129.18 2b3u h LEU 148 Ca -0.25 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2b3u h LEU 148 Cb 1.07 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 2b3u h LEU 148 CO 1.16 0.91 0.47 0.28 -0.34 0.00 0.00 178.44 180.92 2b3u h SER 149 N 0.06 0.96 0.20 1.25 0.02 -1.91 0.15 113.55 114.29 2b3u h SER 149 Ca -0.03 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2b3u h SER 149 Cb 1.45 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2b3u h SER 149 CO 0.12 0.75 -0.10 0.28 -1.14 0.00 0.00 176.83 176.74 2b3u h SER 150 N 1.10 -0.23 -0.94 3.07 0.02 -1.85 -1.46 113.55 113.27 2b3u h SER 150 Ca 0.29 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.36 2b3u h SER 150 Cb -0.03 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.50 2b3u h SER 150 CO -0.05 0.07 0.60 -0.33 -1.14 0.00 0.00 176.83 175.98 2b3u h GLU 151 N -0.72 0.86 -0.00 3.45 5.08 -0.93 -3.23 114.58 119.09 2b3u h GLU 151 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2b3u h GLU 151 Cb 0.20 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2b3u h GLU 151 CO 0.04 0.57 0.00 0.39 -1.00 0.00 0.00 179.01 179.02 2b3u n GLU 152 N -4.58 0.08 -1.01 2.33 1.02 0.03 -5.02 120.64 113.49 2b3u n GLU 152 Ca 0.17 -0.77 -0.00 0.00 -0.02 0.00 0.00 57.16 56.54 2b3u n GLU 152 Cb 0.37 -1.00 -0.00 0.00 -0.02 0.00 0.00 31.44 30.79 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 -0.13 0.39 3.76 0.62 0.00 -0.55 -4.99 105.19 104.30 2b3u n GLY 153 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.77 2.94 -0.03 1.61 0.52 -1.23 -4.96 118.94 116.01 2b3u s TRP 154 Ca 0.00 1.24 0.04 0.00 0.02 0.00 0.00 56.10 57.40 2b3u s TRP 154 Cb 0.00 -3.80 -0.00 0.00 -1.15 0.00 0.00 33.47 28.52 2b3u s TRP 154 CO 0.00 -2.36 -0.16 1.03 0.02 0.00 0.00 176.95 175.48 2b3u s ARG 155 N -1.41 1.53 -0.20 4.98 1.81 -1.26 -4.43 118.95 119.98 2b3u s ARG 155 Ca 0.53 -0.55 -0.22 0.00 -1.72 0.00 0.00 55.73 53.77 2b3u s ARG 155 Cb -0.42 -1.38 -0.02 0.00 -0.45 0.00 0.00 34.95 32.68 2b3u s ARG 155 CO 0.52 0.25 0.68 -1.17 -0.68 0.00 0.00 175.30 174.90 2b3u s LEU 156 N -0.05 4.14 0.17 2.53 2.96 -1.26 -5.05 118.68 122.12 2b3u s LEU 156 Ca -0.01 0.89 0.07 0.00 -0.22 0.00 0.00 54.13 54.86 2b3u s LEU 156 Cb -0.10 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 2b3u s LEU 156 CO 0.01 -0.32 0.01 -0.36 -1.32 0.00 0.00 176.35 174.37 2b3u s PHE 157 N 2.08 2.88 0.01 5.38 0.40 -1.26 -5.14 117.98 122.33 2b3u s PHE 157 Ca 0.31 -0.12 -0.00 0.00 -0.60 0.00 0.00 56.93 56.51 2b3u s PHE 157 Cb -0.16 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.96 2b3u s PHE 157 CO 0.10 0.51 -0.01 -1.59 0.70 0.00 0.00 175.22 174.94 2b3u s LYS 158 N -2.90 0.21 -0.23 0.44 -2.85 -1.26 -5.12 119.74 108.02 2b3u s LYS 158 Ca 0.27 -0.37 -0.00 0.00 -1.00 0.00 0.00 55.97 54.87 2b3u s LYS 158 Cb -0.10 0.08 0.06 0.00 -2.06 0.00 0.00 37.83 35.81 2b3u s LYS 158 CO 0.19 -0.04 -0.02 0.42 0.10 0.00 0.00 175.35 176.00 2b3u s ILE 159 N -0.91 1.22 0.82 3.79 1.01 -1.26 -5.14 121.20 120.73 2b3u s ILE 159 Ca -0.10 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.37 2b3u s ILE 159 Cb -0.06 -1.59 0.08 0.00 0.01 0.00 0.00 42.46 40.90 2b3u s ILE 159 CO -0.01 -0.17 1.11 -1.81 0.00 0.00 0.00 174.94 174.06 2b3u s ASP 160 N 1.53 4.34 0.24 3.58 -0.00 -1.26 -4.73 116.67 120.37 2b3u s ASP 160 Ca -0.03 1.20 -0.13 0.00 -0.00 0.00 0.00 52.55 53.58 2b3u s ASP 160 Cb -0.18 -1.90 0.32 0.00 -0.00 0.00 0.00 42.92 41.16 2b3u s ASP 160 CO -0.08 -2.06 1.57 0.50 -0.00 0.00 0.00 175.17 175.11 2b3u h LYS 161 N -1.15 -0.02 -0.82 8.23 3.64 -2.00 0.58 116.57 125.03 2b3u h LYS 161 Ca -0.48 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.06 2b3u h LYS 161 Cb 1.28 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.05 2b3u h LYS 161 CO 0.60 -0.01 0.54 1.05 -2.27 0.00 0.00 179.45 179.36 2b3u h GLU 162 N -0.02 0.47 0.00 1.90 4.11 -2.00 0.48 114.58 119.52 2b3u h GLU 162 Ca 0.39 -0.03 -0.22 0.00 0.07 0.00 0.00 59.36 59.57 2b3u h GLU 162 Cb 0.63 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2b3u h GLU 162 CO -0.94 0.31 -1.10 1.88 0.07 0.00 0.00 179.01 179.23 2b3u h TYR 163 N 0.48 0.00 -0.50 2.06 0.05 -1.25 -2.97 116.97 114.84 2b3u h TYR 163 Ca 0.41 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 59.07 2b3u h TYR 163 Cb 0.88 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 2b3u h TYR 163 CO -0.00 0.97 -0.15 -0.07 -1.05 0.00 0.00 178.16 177.86 2b3u h LEU 164 N 0.00 0.99 -0.61 3.88 3.38 -0.57 -2.83 115.31 119.55 2b3u h LEU 164 Ca -0.06 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.60 2b3u h LEU 164 Cb 1.79 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 42.22 2b3u h LEU 164 CO 0.12 1.13 0.32 -0.07 0.09 0.00 0.00 178.44 180.03 2b3u h LEU 165 N 0.83 0.45 -0.96 1.67 3.38 -0.98 0.20 115.31 119.91 2b3u h LEU 165 Ca 0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2b3u h LEU 165 Cb 0.72 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2b3u h LEU 165 CO 0.05 0.30 0.00 0.29 0.09 0.00 0.00 178.44 179.17 2b3u n LYS 166 N -4.84 0.00 0.00 1.13 5.02 -1.07 -1.25 118.16 117.15 2b3u n LYS 166 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2b3u n LYS 166 Cb 0.17 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 2b3u n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b3u n ALA 168 N 0.41 0.00 0.23 7.82 0.00 0.71 -2.14 120.51 127.54 2b3u n ALA 168 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2b3u n ALA 168 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 0.60 1.52 0.00 -2.24 -0.38 -5.23 114.28 108.56 2b3u n THR 169 Ca 0.00 -0.77 0.12 0.00 -2.27 0.00 0.00 64.05 61.13 2b3u n THR 169 Cb 0.00 0.79 0.72 0.00 -2.10 0.00 0.00 70.33 69.75 2b3u n THR 169 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71