#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oe3 h ALA 3 N 0.00 1.71 0.00 -1.67 0.00 -2.00 -1.04 119.26 116.26 1oe3 h ALA 3 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1oe3 h ALA 3 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1oe3 h ALA 3 CO 0.00 -0.00 -0.01 -0.44 0.00 0.00 0.00 179.25 178.80 1oe3 h ASP 4 N 0.00 0.00 -0.02 0.00 3.32 -2.04 -2.52 116.42 115.15 1oe3 h ASP 4 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1oe3 h ASP 4 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1oe3 h ASP 4 CO -0.00 0.01 -0.04 0.29 -1.72 0.00 0.00 179.24 177.78 1oe3 n LYS 5 N -3.24 1.74 -2.74 3.56 5.02 -0.40 -5.01 118.16 117.09 1oe3 n LYS 5 Ca -0.02 -1.60 -0.28 0.00 -2.02 0.00 0.00 58.31 54.38 1oe3 n LYS 5 Cb 0.11 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1oe3 n LYS 5 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1oe3 s LEU 6 N -1.72 3.70 0.48 -0.35 1.43 -0.95 -5.03 118.68 116.24 1oe3 s LEU 6 Ca 0.22 0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 54.03 1oe3 s LEU 6 Cb 0.16 -3.87 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 1oe3 s LEU 6 CO 0.27 -0.51 1.26 -2.84 0.23 0.00 0.00 176.35 174.75 1oe3 s PRO 7 N -4.49 3.56 -0.04 1.29 0.02 -1.26 -4.74 135.00 129.33 1oe3 s PRO 7 Ca 0.48 2.00 -0.02 0.00 0.02 0.00 0.00 61.00 63.47 1oe3 s PRO 7 Cb -0.10 -2.40 -0.04 0.00 0.02 0.00 0.00 34.50 31.98 1oe3 s PRO 7 CO 0.41 -0.78 0.07 -1.01 -0.33 0.00 0.00 177.00 175.37 1oe3 s HIS 8 N -1.42 3.32 0.04 6.54 3.76 -1.26 -1.11 115.29 125.17 1oe3 s HIS 8 Ca 0.66 0.26 0.04 0.00 -0.15 0.00 0.00 55.06 55.86 1oe3 s HIS 8 Cb -0.34 -1.79 -0.02 0.00 1.11 0.00 0.00 32.58 31.54 1oe3 s HIS 8 CO 0.41 0.57 -0.11 0.95 -0.85 0.00 0.00 174.74 175.71 1oe3 s THR 9 N -1.09 0.82 -0.10 1.30 -4.23 -0.49 -4.95 115.64 106.90 1oe3 s THR 9 Ca 0.19 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1oe3 s THR 9 Cb -0.12 -0.81 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 1oe3 s THR 9 CO 0.10 -0.19 -0.01 -0.54 -0.54 0.00 0.00 174.62 173.43 1oe3 s LYS 10 N -1.36 3.17 -0.11 3.99 1.02 -1.26 -0.53 119.74 124.65 1oe3 s LYS 10 Ca -0.04 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.52 1oe3 s LYS 10 Cb -0.09 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 1oe3 s LYS 10 CO 0.01 0.58 -0.10 0.08 -0.92 0.00 0.00 175.35 175.00 1oe3 s VAL 11 N -0.54 3.36 -0.31 3.17 1.01 -0.79 -4.93 120.40 121.37 1oe3 s VAL 11 Ca 0.09 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 1oe3 s VAL 11 Cb -0.12 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1oe3 s VAL 11 CO 0.02 0.55 0.76 -0.89 0.00 0.00 0.00 175.10 175.54 1oe3 s THR 12 N -0.10 4.80 0.62 3.92 2.01 -1.26 -4.72 115.64 120.92 1oe3 s THR 12 Ca -0.00 1.09 -0.14 0.00 0.31 0.00 0.00 61.69 62.95 1oe3 s THR 12 Cb -0.13 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1oe3 s THR 12 CO 0.03 -0.26 1.05 -0.76 -0.69 0.00 0.00 174.62 173.99 1oe3 s LEU 13 N 2.93 3.37 0.19 4.42 1.43 -1.26 -4.85 118.68 124.91 1oe3 s LEU 13 Ca 0.31 1.69 0.08 0.00 -1.03 0.00 0.00 54.13 55.19 1oe3 s LEU 13 Cb -0.14 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 1oe3 s LEU 13 CO 0.13 -1.18 -0.16 0.68 0.23 0.00 0.00 176.35 176.05 1oe3 s VAL 14 N -2.73 1.82 0.35 -1.59 -7.23 -1.26 -5.01 120.40 104.74 1oe3 s VAL 14 Ca 0.60 -2.10 -0.26 0.00 -1.81 0.00 0.00 61.98 58.41 1oe3 s VAL 14 Cb -0.14 -1.97 -0.09 0.00 0.56 0.00 0.00 36.38 34.74 1oe3 s VAL 14 CO 0.44 -0.47 1.07 0.00 -0.31 0.00 0.00 175.10 175.83 1oe3 s ALA 15 N -2.55 3.22 0.63 1.32 0.00 -1.26 -4.59 121.76 118.53 1oe3 s ALA 15 Ca 0.20 0.78 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 1oe3 s ALA 15 Cb -0.03 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1oe3 s ALA 15 CO 0.07 -0.18 0.87 -2.30 0.00 0.00 0.00 175.76 174.22 1oe3 n PRO 16 N 0.49 0.72 -0.06 0.00 -0.02 -1.26 -2.31 135.00 132.56 1oe3 n PRO 16 Ca 0.02 0.29 0.10 0.00 -2.02 0.00 0.00 63.50 61.90 1oe3 n PRO 16 Cb 0.48 -2.09 0.43 0.00 -0.02 0.00 0.00 33.50 32.30 1oe3 n PRO 16 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1oe3 n PRO 17 N -1.05 1.54 -1.47 0.52 -0.04 -1.26 -5.07 135.00 128.17 1oe3 n PRO 17 Ca 0.13 -0.81 -0.30 0.00 -0.04 0.00 0.00 63.50 62.48 1oe3 n PRO 17 Cb 0.48 -1.38 0.11 0.00 -0.04 0.00 0.00 33.50 32.67 1oe3 n PRO 17 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1oe3 s GLN 18 N -1.86 1.74 -0.04 0.54 -1.52 -0.98 -1.12 119.66 116.44 1oe3 s GLN 18 Ca 0.32 0.63 0.04 0.00 -1.95 0.00 0.00 55.36 54.40 1oe3 s GLN 18 Cb 0.17 -1.88 -0.00 0.00 -0.22 0.00 0.00 33.01 31.07 1oe3 s GLN 18 CO 0.26 -1.86 -0.16 0.08 -0.25 0.00 0.00 175.29 173.36 1oe3 s VAL 19 N -3.12 1.37 0.65 1.09 1.01 -1.26 -4.65 120.40 115.49 1oe3 s VAL 19 Ca 0.62 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 1oe3 s VAL 19 Cb -0.15 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1oe3 s VAL 19 CO 0.55 0.40 1.19 0.00 0.00 0.00 0.00 175.10 177.23 1oe3 n HIS 20 N 3.10 1.56 -1.70 5.22 1.44 -1.26 -4.88 115.22 118.69 1oe3 n HIS 20 Ca -0.18 0.42 -0.42 0.00 -2.01 0.00 0.00 57.72 55.53 1oe3 n HIS 20 Cb 0.53 -2.22 -0.00 0.00 0.12 0.00 0.00 29.99 28.42 1oe3 n HIS 20 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1oe3 n PRO 21 N -1.75 2.10 -3.44 -1.40 -0.02 -1.26 -4.99 135.00 124.24 1oe3 n PRO 21 Ca 0.15 0.74 -0.12 0.00 -2.02 0.00 0.00 63.50 62.25 1oe3 n PRO 21 Cb 0.48 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 1oe3 n PRO 21 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1oe3 s HIS 22 N -1.13 -0.52 0.33 6.00 -3.43 -1.26 -5.07 115.29 110.21 1oe3 s HIS 22 Ca 0.57 0.31 -0.16 0.00 -0.80 0.00 0.00 55.06 54.98 1oe3 s HIS 22 Cb -0.54 0.53 -0.09 0.00 -1.43 0.00 0.00 32.58 31.05 1oe3 s HIS 22 CO 0.61 -0.83 0.76 -1.21 -2.00 0.00 0.00 174.74 172.07 1oe3 s GLU 23 N -3.70 4.06 0.00 -0.38 2.02 -1.26 -5.08 118.70 114.36 1oe3 s GLU 23 Ca 0.01 0.75 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1oe3 s GLU 23 Cb -0.01 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.78 1oe3 s GLU 23 CO -0.12 0.15 0.00 1.04 0.02 0.00 0.00 175.26 176.35 1oe3 n GLN 24 N -0.30 0.00 -1.98 1.61 6.02 -1.26 -4.89 117.38 116.58 1oe3 n GLN 24 Ca 0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.62 1oe3 n GLN 24 Cb 0.53 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.78 1oe3 n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1oe3 s ALA 25 N -4.00 3.39 0.04 -1.58 0.00 -1.26 -4.22 121.76 114.12 1oe3 s ALA 25 Ca 0.00 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.31 1oe3 s ALA 25 Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1oe3 s ALA 25 CO 0.00 -0.87 -0.05 -0.08 0.00 0.00 0.00 175.76 174.76 1oe3 s THR 26 N -1.19 0.32 -0.85 0.00 -1.32 -0.38 -4.91 115.64 107.31 1oe3 s THR 26 Ca 0.54 -1.14 0.25 0.00 -1.21 0.00 0.00 61.69 60.14 1oe3 s THR 26 Cb -0.41 -0.62 0.07 0.00 -1.51 0.00 0.00 72.50 70.03 1oe3 s THR 26 CO 0.54 -0.53 1.48 0.29 -2.21 0.00 0.00 174.62 174.18 1oe3 n LYS 27 N 1.28 0.12 -1.94 7.08 5.02 -1.26 -4.76 118.16 123.70 1oe3 n LYS 27 Ca -0.22 0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 55.74 1oe3 n LYS 27 Cb 0.56 -1.59 0.02 0.00 -0.02 0.00 0.00 35.03 34.00 1oe3 n LYS 27 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1oe3 s SER 28 N -3.55 5.67 0.93 4.39 0.15 -1.26 -5.04 113.70 114.99 1oe3 s SER 28 Ca 0.10 2.64 -0.14 0.00 0.70 0.00 0.00 55.95 59.24 1oe3 s SER 28 Cb 0.16 -2.63 0.18 0.00 -1.71 0.00 0.00 66.02 62.02 1oe3 s SER 28 CO 0.68 -1.29 1.28 -0.83 1.20 0.00 0.00 173.24 174.28 1oe3 s GLY 29 N -1.01 1.76 0.46 9.45 0.00 -1.26 -5.02 107.32 111.71 1oe3 s GLY 29 Ca 0.67 -1.20 -0.25 0.00 0.00 0.00 0.00 44.72 43.95 1oe3 s GLY 29 CO 0.45 -0.47 1.41 -4.14 0.00 0.00 0.00 173.10 170.34 1oe3 s PRO 30 N -5.79 3.61 0.09 2.90 0.02 -1.26 -5.01 135.00 129.55 1oe3 s PRO 30 Ca 0.72 2.37 0.02 0.00 0.02 0.00 0.00 61.00 64.13 1oe3 s PRO 30 Cb -0.05 -2.59 -0.04 0.00 0.02 0.00 0.00 34.50 31.85 1oe3 s PRO 30 CO 0.52 -0.86 -0.07 0.15 -0.33 0.00 0.00 177.00 176.41 1oe3 s LYS 31 N -2.52 0.79 -0.40 5.54 1.02 -1.26 -4.52 119.74 118.39 1oe3 s LYS 31 Ca 0.63 -1.24 -0.22 0.00 0.02 0.00 0.00 55.97 55.16 1oe3 s LYS 31 Cb -0.43 -0.24 0.01 0.00 -0.52 0.00 0.00 37.83 36.66 1oe3 s LYS 31 CO 0.54 -0.00 0.70 0.08 -0.92 0.00 0.00 175.35 175.75 1oe3 s VAL 32 N -3.21 4.79 -0.30 3.17 1.01 -0.27 -1.32 120.40 124.27 1oe3 s VAL 32 Ca 0.08 0.51 -0.12 0.00 0.00 0.00 0.00 61.98 62.46 1oe3 s VAL 32 Cb 0.02 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1oe3 s VAL 32 CO -0.04 -0.49 0.20 -0.69 0.00 0.00 0.00 175.10 174.08 1oe3 s VAL 33 N 2.95 5.24 -0.15 2.92 1.01 0.32 -1.39 120.40 131.30 1oe3 s VAL 33 Ca 0.27 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 1oe3 s VAL 33 Cb -0.14 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1oe3 s VAL 33 CO 0.18 0.15 0.31 -1.61 0.00 0.00 0.00 175.10 174.13 1oe3 s GLU 34 N 1.74 4.24 0.11 2.72 2.02 0.31 -1.07 118.70 128.77 1oe3 s GLU 34 Ca 0.07 0.12 0.05 0.00 0.02 0.00 0.00 54.97 55.23 1oe3 s GLU 34 Cb -0.17 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 1oe3 s GLU 34 CO 0.10 0.25 -0.13 -0.06 0.02 0.00 0.00 175.26 175.45 1oe3 s PHE 35 N 0.43 1.26 -0.03 1.61 0.40 -0.51 -1.88 117.98 119.26 1oe3 s PHE 35 Ca 0.17 -0.57 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 1oe3 s PHE 35 Cb -0.13 -0.67 -0.00 0.00 0.51 0.00 0.00 43.02 42.72 1oe3 s PHE 35 CO 0.04 0.09 -0.14 -0.08 0.70 0.00 0.00 175.22 175.83 1oe3 s THR 36 N -2.12 1.17 0.02 0.64 -1.32 -1.26 -1.03 115.64 111.74 1oe3 s THR 36 Ca 0.06 -0.58 0.04 0.00 -1.21 0.00 0.00 61.69 60.00 1oe3 s THR 36 Cb -0.05 -1.02 -0.02 0.00 -1.51 0.00 0.00 72.50 69.91 1oe3 s THR 36 CO 0.02 0.35 -0.11 -0.04 -2.21 0.00 0.00 174.62 172.62 1oe3 s MET 37 N 0.06 0.83 -0.17 7.08 -1.94 -0.49 -4.93 119.30 119.73 1oe3 s MET 37 Ca -0.03 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.39 1oe3 s MET 37 Cb -0.10 -0.80 0.01 0.00 2.01 0.00 0.00 34.83 35.95 1oe3 s MET 37 CO 0.01 0.20 -0.16 0.99 -0.01 0.00 0.00 175.02 176.06 1oe3 s THR 38 N -0.61 2.46 0.23 2.05 2.01 -1.26 -1.17 115.64 119.35 1oe3 s THR 38 Ca 0.01 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 1oe3 s THR 38 Cb -0.06 -2.05 -0.09 0.00 0.01 0.00 0.00 72.50 70.31 1oe3 s THR 38 CO 0.00 0.51 1.20 -0.63 -0.69 0.00 0.00 174.62 175.02 1oe3 s ILE 39 N 1.12 3.38 -0.17 1.82 1.01 0.09 -0.59 121.20 127.84 1oe3 s ILE 39 Ca 0.00 1.24 -0.01 0.00 0.00 0.00 0.00 60.65 61.89 1oe3 s ILE 39 Cb -0.14 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.58 1oe3 s ILE 39 CO -0.06 0.24 -0.03 -0.70 0.00 0.00 0.00 174.94 174.39 1oe3 s GLU 40 N -0.79 1.20 0.05 2.79 2.12 -0.23 -4.46 118.70 119.39 1oe3 s GLU 40 Ca 0.50 -0.49 -0.28 0.00 0.36 0.00 0.00 54.97 55.07 1oe3 s GLU 40 Cb -0.34 -2.00 -0.05 0.00 0.26 0.00 0.00 34.13 32.00 1oe3 s GLU 40 CO 0.40 -0.49 0.89 -1.21 -0.54 0.00 0.00 175.26 174.31 1oe3 s GLU 41 N 1.69 4.59 -0.06 4.30 2.02 -1.26 -1.43 118.70 128.54 1oe3 s GLU 41 Ca 0.00 1.28 -0.31 0.00 0.02 0.00 0.00 54.97 55.97 1oe3 s GLU 41 Cb -0.16 -3.40 0.08 0.00 0.10 0.00 0.00 34.13 30.76 1oe3 s GLU 41 CO -0.07 0.17 0.73 -1.59 0.02 0.00 0.00 175.26 174.52 1oe3 s LYS 42 N 0.25 0.99 0.04 1.61 -2.85 -0.67 -5.00 119.74 114.11 1oe3 s LYS 42 Ca 0.45 0.22 -0.30 0.00 -1.00 0.00 0.00 55.97 55.33 1oe3 s LYS 42 Cb -0.22 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 35.98 1oe3 s LYS 42 CO 0.26 -0.31 1.01 0.21 0.10 0.00 0.00 175.35 176.62 1oe3 s LYS 43 N -1.26 4.57 0.00 1.78 2.20 -1.26 -1.17 119.74 124.61 1oe3 s LYS 43 Ca -0.09 1.49 0.06 0.00 -0.36 0.00 0.00 55.97 57.07 1oe3 s LYS 43 Cb -0.00 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 1oe3 s LYS 43 CO 0.08 -0.02 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.22 1oe3 s MET 44 N 0.76 1.42 -0.21 4.03 -1.94 -0.23 -4.95 119.30 118.18 1oe3 s MET 44 Ca 0.52 -0.73 -0.26 0.00 -1.71 0.00 0.00 55.69 53.51 1oe3 s MET 44 Cb -0.23 -1.41 -0.00 0.00 2.01 0.00 0.00 34.83 35.19 1oe3 s MET 44 CO 0.29 0.38 0.89 0.08 -0.01 0.00 0.00 175.02 176.65 1oe3 s VAL 45 N -0.55 4.81 -1.04 -6.03 1.01 -1.26 -0.65 120.40 116.69 1oe3 s VAL 45 Ca 0.07 1.73 0.11 0.00 0.00 0.00 0.00 61.98 63.88 1oe3 s VAL 45 Cb -0.07 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.14 1oe3 s VAL 45 CO 0.00 -0.06 0.69 2.30 0.00 0.00 0.00 175.10 178.03 1oe3 n ILE 46 N 5.07 0.00 -4.11 2.22 -6.64 -0.20 -4.85 119.36 110.86 1oe3 n ILE 46 Ca 0.07 -0.42 -0.16 0.00 -1.77 0.00 0.00 62.75 60.48 1oe3 n ILE 46 Cb 0.48 1.15 -0.04 0.00 -1.44 0.00 0.00 39.64 39.78 1oe3 n ILE 46 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 1oe3 n ASP 47 N -0.06 -1.29 -0.30 7.28 5.68 -1.26 -1.08 116.55 125.53 1oe3 n ASP 47 Ca 0.05 -2.99 0.12 0.00 -0.50 0.00 0.00 54.79 51.47 1oe3 n ASP 47 Cb 0.23 2.46 0.57 0.00 -1.14 0.00 0.00 41.12 43.24 1oe3 n ASP 47 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1oe3 n ASP 48 N -1.62 0.92 -0.34 -1.12 5.68 -1.26 -3.63 116.55 115.18 1oe3 n ASP 48 Ca 0.02 -1.45 0.04 0.00 -0.50 0.00 0.00 54.79 52.90 1oe3 n ASP 48 Cb 0.60 -0.03 0.11 0.00 -1.14 0.00 0.00 41.12 40.66 1oe3 n ASP 48 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1oe3 n LYS 49 N -0.23 2.69 -0.39 0.11 2.85 -1.26 -4.98 118.16 116.95 1oe3 n LYS 49 Ca 0.18 -2.02 0.00 0.00 -1.05 0.00 0.00 58.31 55.42 1oe3 n LYS 49 Cb 0.23 -1.28 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 1oe3 n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1oe3 n GLY 50 N -0.31 0.77 3.75 2.58 0.00 -1.24 -5.03 105.19 105.71 1oe3 n GLY 50 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1oe3 n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oe3 s THR 51 N -2.21 2.29 0.15 2.61 2.01 -1.26 -4.90 115.64 114.33 1oe3 s THR 51 Ca 0.00 0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.30 1oe3 s THR 51 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1oe3 s THR 51 CO 0.00 0.04 0.02 0.42 -0.69 0.00 0.00 174.62 174.41 1oe3 s THR 52 N 0.09 3.94 -0.11 -0.82 -4.23 -1.26 -1.03 115.64 112.22 1oe3 s THR 52 Ca 0.63 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 1oe3 s THR 52 Cb -0.46 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 1oe3 s THR 52 CO 0.45 -0.04 -0.19 -0.22 -0.54 0.00 0.00 174.62 174.08 1oe3 s LEU 53 N -2.77 2.40 -0.97 4.79 2.96 0.18 -4.91 118.68 120.36 1oe3 s LEU 53 Ca 0.27 -0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 53.51 1oe3 s LEU 53 Cb -0.10 -1.51 0.04 0.00 0.50 0.00 0.00 46.19 45.13 1oe3 s LEU 53 CO 0.19 0.18 1.45 -1.10 -1.32 0.00 0.00 176.35 175.75 1oe3 s GLN 54 N 0.27 3.48 0.38 1.98 -1.52 -1.26 -1.07 119.66 121.92 1oe3 s GLN 54 Ca -0.13 -0.95 0.03 0.00 -1.95 0.00 0.00 55.36 52.36 1oe3 s GLN 54 Cb -0.16 -5.17 -0.01 0.00 -0.22 0.00 0.00 33.01 27.44 1oe3 s GLN 54 CO 0.07 -2.26 0.56 0.00 -0.25 0.00 0.00 175.29 173.41 1oe3 s ALA 55 N 5.35 3.92 -0.03 6.09 0.00 -0.31 -4.91 121.76 131.87 1oe3 s ALA 55 Ca 0.46 -1.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 1oe3 s ALA 55 Cb -0.02 -1.95 0.03 0.00 0.00 0.00 0.00 23.12 21.18 1oe3 s ALA 55 CO -0.06 -0.17 0.02 -1.64 0.00 0.00 0.00 175.76 173.91 1oe3 s MET 56 N -4.35 0.13 0.06 0.00 -1.94 -0.45 -1.66 119.30 111.08 1oe3 s MET 56 Ca 0.45 0.16 0.02 0.00 -1.71 0.00 0.00 55.69 54.61 1oe3 s MET 56 Cb -0.10 -0.41 -0.03 0.00 2.01 0.00 0.00 34.83 36.30 1oe3 s MET 56 CO 0.35 -0.18 -0.07 0.95 -0.01 0.00 0.00 175.02 176.05 1oe3 s THR 57 N 1.22 0.57 -0.26 2.05 -4.23 -0.52 -2.73 115.64 111.74 1oe3 s THR 57 Ca -0.07 -1.32 -0.23 0.00 -1.18 0.00 0.00 61.69 58.88 1oe3 s THR 57 Cb -0.13 -0.91 -0.01 0.00 1.34 0.00 0.00 72.50 72.79 1oe3 s THR 57 CO -0.03 -0.53 0.76 -0.36 -0.54 0.00 0.00 174.62 173.93 1oe3 s PHE 58 N -2.03 3.28 -1.49 3.99 0.08 -1.26 -1.06 117.98 119.48 1oe3 s PHE 58 Ca -0.04 0.96 0.00 0.00 0.12 0.00 0.00 56.93 57.98 1oe3 s PHE 58 Cb -0.06 -3.03 0.00 0.00 -0.57 0.00 0.00 43.02 39.36 1oe3 s PHE 58 CO -0.01 -0.42 0.00 0.09 -0.10 0.00 0.00 175.22 174.78 1oe3 n ASN 59 N 5.97 -4.69 0.00 1.36 4.13 0.24 -3.23 115.26 119.04 1oe3 n ASN 59 Ca 0.03 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.63 1oe3 n ASN 59 Cb 0.48 -3.47 0.00 0.00 -1.54 0.00 0.00 39.78 35.25 1oe3 n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1oe3 n GLY 60 N -1.22 0.79 3.26 7.41 0.00 -1.26 -5.00 105.19 109.17 1oe3 n GLY 60 Ca -0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 1oe3 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oe3 s SER 61 N -2.92 2.07 -0.21 1.61 1.04 -1.20 -5.02 113.70 109.07 1oe3 s SER 61 Ca 0.00 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.54 1oe3 s SER 61 Cb 0.00 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1oe3 s SER 61 CO 0.00 -0.17 -0.10 -0.04 0.98 0.00 0.00 173.24 173.91 1oe3 s MET 62 N -2.94 3.23 1.08 4.02 -1.94 -1.26 -3.07 119.30 118.42 1oe3 s MET 62 Ca 0.12 -0.70 -0.14 0.00 -1.71 0.00 0.00 55.69 53.26 1oe3 s MET 62 Cb -0.03 -2.86 0.23 0.00 2.01 0.00 0.00 34.83 34.18 1oe3 s MET 62 CO 0.03 -0.21 1.08 -1.25 -0.01 0.00 0.00 175.02 174.67 1oe3 s PRO 63 N 1.41 -0.22 1.09 2.03 0.04 -1.26 -3.43 135.00 134.66 1oe3 s PRO 63 Ca 0.05 0.42 -0.13 0.00 0.04 0.00 0.00 61.00 61.38 1oe3 s PRO 63 Cb -0.14 -1.67 0.21 0.00 0.04 0.00 0.00 34.50 32.94 1oe3 s PRO 63 CO -0.07 -3.15 0.86 0.41 0.04 0.00 0.00 177.00 175.10 1oe3 n GLY 64 N -0.74 -1.68 3.74 0.56 0.00 -0.04 -4.74 105.19 102.29 1oe3 n GLY 64 Ca 0.06 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1oe3 n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1oe3 s PRO 65 N -4.27 2.44 -0.03 1.61 0.04 -1.26 -4.57 135.00 128.96 1oe3 s PRO 65 Ca 0.66 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 1oe3 s PRO 65 Cb -0.23 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1oe3 s PRO 65 CO 0.64 -1.59 0.86 0.99 0.04 0.00 0.00 177.00 177.94 1oe3 s THR 66 N -1.98 4.94 -0.21 1.26 2.01 -1.26 -4.27 115.64 116.12 1oe3 s THR 66 Ca 0.73 1.79 -0.11 0.00 0.31 0.00 0.00 61.69 64.42 1oe3 s THR 66 Cb -0.27 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 1oe3 s THR 66 CO 0.42 0.19 0.18 -0.76 -0.69 0.00 0.00 174.62 173.96 1oe3 s LEU 67 N 0.96 4.17 -0.13 4.42 1.02 -0.67 -4.53 118.68 123.91 1oe3 s LEU 67 Ca 0.46 0.22 0.03 0.00 0.02 0.00 0.00 54.13 54.86 1oe3 s LEU 67 Cb -0.20 -2.15 0.01 0.00 0.02 0.00 0.00 46.19 43.87 1oe3 s LEU 67 CO 0.23 0.10 -0.23 -0.69 0.02 0.00 0.00 176.35 175.79 1oe3 s VAL 68 N 0.74 2.06 0.35 -1.59 1.01 -1.26 -0.23 120.40 121.49 1oe3 s VAL 68 Ca 0.09 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1oe3 s VAL 68 Cb -0.13 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1oe3 s VAL 68 CO 0.02 0.55 0.17 1.33 0.00 0.00 0.00 175.10 177.18 1oe3 n VAL 69 N 3.92 0.00 -4.27 2.92 0.24 -0.45 -5.00 118.33 115.68 1oe3 n VAL 69 Ca -0.20 -2.19 -0.28 0.00 -2.04 0.00 0.00 64.34 59.63 1oe3 n VAL 69 Cb 0.52 0.88 -0.10 0.00 -1.47 0.00 0.00 33.84 33.68 1oe3 n VAL 69 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1oe3 s HIS 70 N -3.04 2.65 0.15 6.34 3.76 -1.26 -0.96 115.29 122.92 1oe3 s HIS 70 Ca 0.24 -0.21 -0.34 0.00 -0.15 0.00 0.00 55.06 54.60 1oe3 s HIS 70 Cb 0.01 -1.34 -0.14 0.00 1.11 0.00 0.00 32.58 32.22 1oe3 s HIS 70 CO 0.17 0.47 1.52 -1.91 -0.85 0.00 0.00 174.74 174.14 1oe3 n GLU 71 N 0.35 1.93 0.00 1.40 2.13 0.14 -0.95 120.64 125.63 1oe3 n GLU 71 Ca -0.12 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1oe3 n GLU 71 Cb 0.54 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.82 1oe3 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1oe3 n GLY 72 N 3.19 2.77 3.64 8.31 0.00 0.18 -4.68 105.19 118.60 1oe3 n GLY 72 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1oe3 n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oe3 s ASP 73 N -1.33 2.51 -0.09 1.61 1.01 -0.12 -4.64 116.67 115.61 1oe3 s ASP 73 Ca 0.00 1.58 0.00 0.00 0.71 0.00 0.00 52.55 54.84 1oe3 s ASP 73 Cb 0.00 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 1oe3 s ASP 73 CO 0.00 -3.26 -0.09 -0.31 0.21 0.00 0.00 175.17 171.72 1oe3 s TYR 74 N -2.74 2.88 -0.18 4.23 1.51 -0.43 -0.72 117.35 121.90 1oe3 s TYR 74 Ca 0.66 -0.20 -0.18 0.00 -1.01 0.00 0.00 57.07 56.34 1oe3 s TYR 74 Cb -0.21 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1oe3 s TYR 74 CO 0.60 0.13 0.49 0.08 -1.11 0.00 0.00 175.55 175.74 1oe3 s VAL 75 N -0.36 5.14 -0.34 0.71 1.01 -0.13 -0.52 120.40 125.91 1oe3 s VAL 75 Ca 0.05 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.97 1oe3 s VAL 75 Cb -0.12 -3.82 0.10 0.00 0.00 0.00 0.00 36.38 32.53 1oe3 s VAL 75 CO 0.02 0.22 0.08 -1.58 0.00 0.00 0.00 175.10 173.84 1oe3 s GLN 76 N 1.33 1.20 -0.21 2.72 0.74 -0.23 -1.23 119.66 123.98 1oe3 s GLN 76 Ca 0.24 -1.60 -0.10 0.00 0.05 0.00 0.00 55.36 53.95 1oe3 s GLN 76 Cb -0.15 -2.74 -0.05 0.00 1.10 0.00 0.00 33.01 31.17 1oe3 s GLN 76 CO 0.10 -0.97 0.12 -1.17 -0.55 0.00 0.00 175.29 172.82 1oe3 s LEU 77 N 1.12 4.10 -0.29 3.68 2.96 -0.03 -1.42 118.68 128.80 1oe3 s LEU 77 Ca 0.11 0.17 -0.14 0.00 -0.22 0.00 0.00 54.13 54.04 1oe3 s LEU 77 Cb -0.19 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 1oe3 s LEU 77 CO -0.14 0.15 0.34 -0.89 -1.32 0.00 0.00 176.35 174.49 1oe3 s THR 78 N 0.53 5.20 -0.25 3.68 2.01 -0.20 -1.03 115.64 125.59 1oe3 s THR 78 Ca 0.07 0.37 -0.07 0.00 0.31 0.00 0.00 61.69 62.37 1oe3 s THR 78 Cb -0.12 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1oe3 s THR 78 CO -0.00 0.11 0.06 -0.22 -0.69 0.00 0.00 174.62 173.88 1oe3 s LEU 79 N 2.01 3.43 -0.16 4.42 2.96 0.03 -1.39 118.68 129.98 1oe3 s LEU 79 Ca 0.13 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 1oe3 s LEU 79 Cb -0.16 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 1oe3 s LEU 79 CO 0.11 -0.03 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.35 1oe3 s VAL 80 N 1.56 3.53 -0.61 1.68 1.01 -0.32 -1.86 120.40 125.40 1oe3 s VAL 80 Ca 0.06 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1oe3 s VAL 80 Cb -0.15 -2.54 0.15 0.00 0.00 0.00 0.00 36.38 33.85 1oe3 s VAL 80 CO 0.03 0.49 0.40 0.21 0.00 0.00 0.00 175.10 176.23 1oe3 s ASN 81 N 0.53 4.83 0.75 3.32 2.47 -0.22 -0.73 114.94 125.89 1oe3 s ASN 81 Ca -0.05 -3.15 -0.15 0.00 0.42 0.00 0.00 52.86 49.93 1oe3 s ASN 81 Cb -0.15 -1.74 0.03 0.00 -1.45 0.00 0.00 41.25 37.94 1oe3 s ASN 81 CO 0.03 -0.25 1.03 -2.65 -3.72 0.00 0.00 177.10 171.54 1oe3 n PRO 82 N 3.00 0.43 0.14 0.43 -0.02 -1.26 -0.32 135.00 137.40 1oe3 n PRO 82 Ca 0.09 0.21 0.10 0.00 -2.02 0.00 0.00 63.50 61.89 1oe3 n PRO 82 Cb 0.35 -2.29 0.52 0.00 -0.02 0.00 0.00 33.50 32.06 1oe3 n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oe3 n ALA 83 N -2.72 1.23 0.66 3.55 0.00 -1.26 -1.63 120.51 120.34 1oe3 n ALA 83 Ca 0.13 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.84 1oe3 n ALA 83 Cb 0.50 -1.31 0.47 0.00 0.00 0.00 0.00 19.45 19.10 1oe3 n ALA 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1oe3 n THR 84 N -2.18 0.54 -2.29 0.00 -2.24 -1.26 -4.77 114.28 102.07 1oe3 n THR 84 Ca -0.00 -0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 1oe3 n THR 84 Cb 0.09 -0.75 0.01 0.00 -2.10 0.00 0.00 70.33 67.57 1oe3 n THR 84 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1oe3 s ASN 85 N -3.77 6.22 -0.17 3.42 0.01 -0.64 -5.01 114.94 115.00 1oe3 s ASN 85 Ca 0.10 1.13 0.19 0.00 -0.71 0.00 0.00 52.86 53.56 1oe3 s ASN 85 Cb 0.13 -2.32 -0.26 0.00 0.41 0.00 0.00 41.25 39.21 1oe3 s ASN 85 CO 0.48 -0.73 0.14 0.00 -1.51 0.00 0.00 177.10 175.48 1oe3 n ALA 86 N -2.49 1.74 -2.67 0.60 0.00 -1.26 -4.76 120.51 111.68 1oe3 n ALA 86 Ca 0.03 -1.18 -0.27 0.00 0.00 0.00 0.00 53.44 52.02 1oe3 n ALA 86 Cb 0.55 -0.28 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 1oe3 n ALA 86 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1oe3 s MET 87 N -2.67 2.43 0.69 0.00 -1.94 -1.26 -4.90 119.30 111.64 1oe3 s MET 87 Ca -0.10 -1.07 -0.13 0.00 -1.71 0.00 0.00 55.69 52.69 1oe3 s MET 87 Cb 0.07 -2.38 0.01 0.00 2.01 0.00 0.00 34.83 34.54 1oe3 s MET 87 CO 0.84 0.47 1.09 -1.25 -0.01 0.00 0.00 175.02 176.15 1oe3 s PRO 88 N -2.86 2.75 0.32 2.03 0.04 -1.26 -4.30 135.00 131.72 1oe3 s PRO 88 Ca 0.27 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 1oe3 s PRO 88 Cb -0.10 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1oe3 s PRO 88 CO 0.19 -1.27 0.43 -1.01 0.04 0.00 0.00 177.00 175.37 1oe3 s HIS 89 N -2.63 1.06 0.05 0.56 3.76 -0.72 -4.91 115.29 112.46 1oe3 s HIS 89 Ca 0.63 -1.28 -0.05 0.00 -0.15 0.00 0.00 55.06 54.22 1oe3 s HIS 89 Cb -0.18 -0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.38 1oe3 s HIS 89 CO 0.47 -1.06 0.24 0.27 -0.85 0.00 0.00 174.74 173.81 1oe3 n ASN 90 N -1.22 -0.44 -3.82 1.40 0.23 -1.26 -1.27 115.26 108.89 1oe3 n ASN 90 Ca 0.01 -1.24 -0.13 0.00 -0.53 0.00 0.00 54.58 52.69 1oe3 n ASN 90 Cb 0.62 0.71 -0.14 0.00 -2.08 0.00 0.00 39.78 38.89 1oe3 n ASN 90 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1oe3 s VAL 91 N -2.50 -0.02 -0.32 3.53 0.11 -1.26 -4.21 120.40 115.74 1oe3 s VAL 91 Ca 0.05 0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 1oe3 s VAL 91 Cb -0.01 -0.12 0.04 0.00 -1.53 0.00 0.00 36.38 34.76 1oe3 s VAL 91 CO 0.02 0.02 0.05 -0.62 -3.33 0.00 0.00 175.10 171.24 1oe3 s ASP 92 N 0.36 5.08 -0.36 3.54 -1.08 0.25 -1.52 116.67 122.95 1oe3 s ASP 92 Ca -0.03 -1.18 -0.19 0.00 -0.52 0.00 0.00 52.55 50.64 1oe3 s ASP 92 Cb -0.04 -1.79 -0.00 0.00 -1.46 0.00 0.00 42.92 39.63 1oe3 s ASP 92 CO -0.01 -0.28 0.55 -0.36 0.52 0.00 0.00 175.17 175.58 1oe3 s PHE 93 N 1.33 3.17 0.12 -5.34 0.08 0.03 -1.25 117.98 116.12 1oe3 s PHE 93 Ca -0.03 0.21 0.33 0.00 0.12 0.00 0.00 56.93 57.55 1oe3 s PHE 93 Cb -0.19 -3.00 1.61 0.00 -0.57 0.00 0.00 43.02 40.87 1oe3 s PHE 93 CO 0.01 -0.58 2.00 0.45 -0.10 0.00 0.00 175.22 177.00 1oe3 h HIS 94 N 8.48 0.00 0.00 0.36 3.86 -1.48 -1.92 115.15 124.46 1oe3 h HIS 94 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1oe3 h HIS 94 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1oe3 h HIS 94 CO 0.73 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.93 1oe3 n GLY 95 N -0.61 -1.10 3.76 2.45 0.00 -1.26 -4.91 105.19 103.51 1oe3 n GLY 95 Ca -0.01 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1oe3 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oe3 s ALA 96 N -2.45 3.46 -0.25 4.61 0.00 -0.72 -4.65 121.76 121.76 1oe3 s ALA 96 Ca 0.29 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 1oe3 s ALA 96 Cb 0.18 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1oe3 s ALA 96 CO 0.39 0.45 -0.04 0.99 0.00 0.00 0.00 175.76 177.55 1oe3 s THR 97 N -1.82 3.12 0.00 0.00 2.01 -1.26 -4.73 115.64 112.95 1oe3 s THR 97 Ca 0.30 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1oe3 s THR 97 Cb -0.09 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1oe3 s THR 97 CO 0.22 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 1oe3 n GLY 98 N 4.73 2.57 4.00 4.40 0.00 -1.26 -4.97 105.19 114.65 1oe3 n GLY 98 Ca -0.17 -1.98 -0.27 0.00 0.00 0.00 0.00 46.02 43.60 1oe3 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oe3 n ALA 99 N 0.36 -1.90 -3.83 4.61 0.00 -1.26 -0.75 120.51 117.74 1oe3 n ALA 99 Ca 0.00 -0.23 -0.28 0.00 0.00 0.00 0.00 53.44 52.93 1oe3 n ALA 99 Cb 0.00 -1.78 0.03 0.00 0.00 0.00 0.00 19.45 17.71 1oe3 n ALA 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1oe3 n LEU 100 N -4.41 -2.77 0.00 0.00 4.77 -1.26 -1.49 117.00 111.83 1oe3 n LEU 100 Ca -0.26 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 1oe3 n LEU 100 Cb 0.66 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 39.11 1oe3 n LEU 100 CO 0.77 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 1oe3 n GLY 101 N -1.70 0.49 0.00 -0.72 0.00 0.07 -2.45 105.19 100.88 1oe3 n GLY 101 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1oe3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oe3 n GLY 102 N -2.41 0.70 0.34 -0.02 0.00 -0.56 -0.79 105.19 102.46 1oe3 n GLY 102 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1oe3 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oe3 h ALA 103 N 0.00 1.38 0.00 4.61 0.00 -0.86 -1.52 119.26 122.87 1oe3 h ALA 103 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1oe3 h ALA 103 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1oe3 h ALA 103 CO 0.00 0.53 0.00 0.87 0.00 0.00 0.00 179.25 180.65 1oe3 h LYS 104 N 1.01 0.00 -0.02 0.00 1.57 -1.69 -2.94 116.57 114.49 1oe3 h LYS 104 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1oe3 h LYS 104 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1oe3 h LYS 104 CO -0.05 0.00 -0.10 1.28 -0.57 0.00 0.00 179.45 180.01 1oe3 n LEU 105 N -2.51 2.23 -0.60 2.94 4.77 -0.59 -4.56 117.00 118.68 1oe3 n LEU 105 Ca 0.02 -0.93 0.05 0.00 -0.03 0.00 0.00 56.01 55.11 1oe3 n LEU 105 Cb 0.26 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1oe3 n LEU 105 CO 0.22 0.40 0.32 0.35 -1.33 0.00 0.00 177.39 177.35 1oe3 n THR 106 N 0.67 0.91 -2.16 -5.08 -2.24 -1.08 -4.83 114.28 100.47 1oe3 n THR 106 Ca 0.09 -1.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.05 1oe3 n THR 106 Cb 0.41 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 1oe3 n THR 106 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1oe3 s ASN 107 N -2.12 5.92 -0.19 3.42 0.01 -1.23 -4.04 114.94 116.70 1oe3 s ASN 107 Ca 0.23 0.83 -0.00 0.00 -0.71 0.00 0.00 52.86 53.21 1oe3 s ASN 107 Cb 0.22 -2.53 0.01 0.00 0.41 0.00 0.00 41.25 39.36 1oe3 s ASN 107 CO -0.04 -1.77 -0.16 0.68 -1.51 0.00 0.00 177.10 174.31 1oe3 s VAL 108 N 6.82 2.43 0.67 1.60 -7.23 -0.39 -4.99 120.40 119.30 1oe3 s VAL 108 Ca 0.68 -0.82 -0.11 0.00 -1.81 0.00 0.00 61.98 59.93 1oe3 s VAL 108 Cb -0.16 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 1oe3 s VAL 108 CO 0.30 0.51 1.06 0.20 -0.31 0.00 0.00 175.10 176.86 1oe3 s ASN 109 N 1.34 5.72 0.20 4.85 0.01 -1.26 -1.75 114.94 124.04 1oe3 s ASN 109 Ca 0.05 1.32 -0.32 0.00 -0.71 0.00 0.00 52.86 53.20 1oe3 s ASN 109 Cb -0.13 -2.23 -0.14 0.00 0.41 0.00 0.00 41.25 39.15 1oe3 s ASN 109 CO -0.10 -1.19 1.35 -2.65 -1.51 0.00 0.00 177.10 173.00 1oe3 n PRO 110 N -2.94 1.73 -0.24 -0.60 -0.02 -1.26 -1.27 135.00 130.40 1oe3 n PRO 110 Ca 0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1oe3 n PRO 110 Cb 0.55 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1oe3 n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oe3 n GLY 111 N 2.28 0.70 3.44 -1.23 0.00 0.57 -4.71 105.19 106.24 1oe3 n GLY 111 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1oe3 n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oe3 s GLU 112 N -0.70 1.59 0.15 1.61 2.02 -0.40 -4.88 118.70 118.11 1oe3 s GLU 112 Ca 0.00 -1.67 0.01 0.00 0.02 0.00 0.00 54.97 53.33 1oe3 s GLU 112 Cb 0.00 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.44 1oe3 s GLU 112 CO 0.00 0.34 0.01 1.14 0.02 0.00 0.00 175.26 176.77 1oe3 s GLN 113 N -3.22 1.03 0.09 1.61 -2.07 -1.26 -1.06 119.66 114.77 1oe3 s GLN 113 Ca 0.26 -1.48 -0.09 0.00 -1.82 0.00 0.00 55.36 52.23 1oe3 s GLN 113 Cb -0.06 -0.14 -0.00 0.00 -1.09 0.00 0.00 33.01 31.72 1oe3 s GLN 113 CO 0.13 -0.15 0.19 0.00 -1.32 0.00 0.00 175.29 174.14 1oe3 s ALA 114 N -3.74 -0.22 -0.09 2.60 0.00 -0.77 -5.00 121.76 114.53 1oe3 s ALA 114 Ca 0.22 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1oe3 s ALA 114 Cb 0.06 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.68 1oe3 s ALA 114 CO 0.02 -0.51 -0.10 0.99 0.00 0.00 0.00 175.76 176.16 1oe3 s THR 115 N -3.84 1.12 -0.10 0.00 2.01 -1.26 -0.79 115.64 112.79 1oe3 s THR 115 Ca 0.05 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1oe3 s THR 115 Cb 0.05 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 1oe3 s THR 115 CO -0.11 0.37 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.85 1oe3 s LEU 116 N 1.19 2.82 -0.03 4.42 2.96 -0.19 -4.97 118.68 124.87 1oe3 s LEU 116 Ca -0.04 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.68 1oe3 s LEU 116 Cb -0.14 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1oe3 s LEU 116 CO -0.03 0.25 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.49 1oe3 s ARG 117 N -0.13 2.41 0.05 1.98 3.52 -1.26 -0.85 118.95 124.67 1oe3 s ARG 117 Ca -0.01 -0.76 -0.11 0.00 -0.13 0.00 0.00 55.73 54.73 1oe3 s ARG 117 Cb -0.13 -2.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.95 1oe3 s ARG 117 CO 0.03 0.61 0.24 -0.59 -0.81 0.00 0.00 175.30 174.78 1oe3 s PHE 118 N -0.74 0.01 -0.11 5.12 -0.12 -0.37 -4.99 117.98 116.78 1oe3 s PHE 118 Ca 0.12 -0.25 -0.29 0.00 -0.05 0.00 0.00 56.93 56.46 1oe3 s PHE 118 Cb -0.11 0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.29 1oe3 s PHE 118 CO 0.01 -0.48 0.99 0.21 -0.05 0.00 0.00 175.22 175.90 1oe3 s LYS 119 N -2.83 4.41 -1.30 1.99 2.20 -1.26 -0.96 119.74 121.98 1oe3 s LYS 119 Ca -0.03 1.36 -0.13 0.00 -0.36 0.00 0.00 55.97 56.81 1oe3 s LYS 119 Cb 0.00 -3.54 0.13 0.00 -1.51 0.00 0.00 37.83 32.90 1oe3 s LYS 119 CO -0.05 -0.32 1.83 0.00 -0.36 0.00 0.00 175.35 176.45 1oe3 n ALA 120 N 5.02 4.78 1.22 3.13 0.00 0.10 -4.75 120.51 130.01 1oe3 n ALA 120 Ca 0.08 -4.14 0.12 0.00 0.00 0.00 0.00 53.44 49.51 1oe3 n ALA 120 Cb 0.49 -3.21 0.38 0.00 0.00 0.00 0.00 19.45 17.10 1oe3 n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1oe3 n ASP 121 N 5.43 2.01 -3.97 0.00 5.75 -1.26 -0.65 116.55 123.87 1oe3 n ASP 121 Ca 0.43 -1.70 -0.25 0.00 -0.01 0.00 0.00 54.79 53.26 1oe3 n ASP 121 Cb 0.40 -0.05 -0.17 0.00 -1.03 0.00 0.00 41.12 40.27 1oe3 n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1oe3 s ARG 122 N -1.89 1.57 0.42 0.11 0.52 -1.26 -4.79 118.95 113.63 1oe3 s ARG 122 Ca 0.35 -0.33 -0.23 0.00 -0.52 0.00 0.00 55.73 55.00 1oe3 s ARG 122 Cb 0.20 -1.44 -0.10 0.00 0.52 0.00 0.00 34.95 34.13 1oe3 s ARG 122 CO 0.31 -0.10 1.00 -1.54 0.02 0.00 0.00 175.30 174.99 1oe3 s SER 123 N 1.10 6.81 0.00 0.23 1.04 -1.26 -4.79 113.70 116.84 1oe3 s SER 123 Ca -0.06 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.24 1oe3 s SER 123 Cb -0.14 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1oe3 s SER 123 CO -0.01 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1oe3 n GLY 124 N -0.06 1.48 3.73 7.32 0.00 -0.09 -2.97 105.19 114.61 1oe3 n GLY 124 Ca 0.06 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 1oe3 n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oe3 s THR 125 N -1.56 5.13 -0.02 2.61 -4.23 0.21 -0.29 115.64 117.47 1oe3 s THR 125 Ca 0.00 1.04 0.03 0.00 -1.18 0.00 0.00 61.69 61.58 1oe3 s THR 125 Cb 0.00 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1oe3 s THR 125 CO 0.00 0.35 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.97 1oe3 s PHE 126 N 0.43 0.98 0.49 3.99 0.40 0.17 -4.34 117.98 120.10 1oe3 s PHE 126 Ca 0.28 -0.24 -0.22 0.00 -0.60 0.00 0.00 56.93 56.15 1oe3 s PHE 126 Cb -0.16 -0.69 -0.07 0.00 0.51 0.00 0.00 43.02 42.62 1oe3 s PHE 126 CO 0.12 -0.09 1.20 0.08 0.70 0.00 0.00 175.22 177.23 1oe3 s VAL 127 N 0.12 2.92 0.11 -0.44 1.01 -1.26 -0.69 120.40 122.16 1oe3 s VAL 127 Ca -0.02 0.67 0.10 0.00 0.00 0.00 0.00 61.98 62.74 1oe3 s VAL 127 Cb -0.08 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1oe3 s VAL 127 CO 0.00 -0.02 -0.26 -0.72 0.00 0.00 0.00 175.10 174.10 1oe3 s TYR 128 N -1.52 2.27 0.13 5.22 -0.85 -0.10 -1.25 117.35 121.24 1oe3 s TYR 128 Ca 0.66 -0.39 -0.23 0.00 -0.52 0.00 0.00 57.07 56.60 1oe3 s TYR 128 Cb -0.30 -1.26 0.06 0.00 0.38 0.00 0.00 41.96 40.84 1oe3 s TYR 128 CO 0.36 0.27 0.57 -3.38 -1.52 0.00 0.00 175.55 171.86 1oe3 s HIS 129 N -1.00 -0.50 0.52 -3.49 -3.43 -0.38 -1.43 115.29 105.58 1oe3 s HIS 129 Ca 0.13 0.34 -0.19 0.00 -0.80 0.00 0.00 55.06 54.54 1oe3 s HIS 129 Cb -0.10 0.49 -0.07 0.00 -1.43 0.00 0.00 32.58 31.47 1oe3 s HIS 129 CO 0.05 -0.80 1.06 0.00 -2.00 0.00 0.00 174.74 173.05 1oe3 n ALA 131 N -1.24 -0.39 -2.03 0.00 0.00 -1.26 -4.47 120.51 111.11 1oe3 n ALA 131 Ca 0.10 -1.87 -0.41 0.00 0.00 0.00 0.00 53.44 51.26 1oe3 n ALA 131 Cb 0.52 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 1oe3 n ALA 131 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1oe3 s PRO 132 N 0.01 4.71 0.12 0.00 0.02 -1.26 -4.87 135.00 133.72 1oe3 s PRO 132 Ca 0.30 1.56 -0.35 0.00 0.02 0.00 0.00 61.00 62.53 1oe3 s PRO 132 Cb 0.26 -3.31 -0.16 0.00 0.02 0.00 0.00 34.50 31.31 1oe3 s PRO 132 CO -0.15 0.26 1.42 -1.91 -0.33 0.00 0.00 177.00 176.29 1oe3 n GLU 133 N 2.21 1.52 0.00 5.54 2.13 -1.26 -1.41 120.64 129.37 1oe3 n GLU 133 Ca 0.01 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1oe3 n GLU 133 Cb 0.47 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 29.95 1oe3 n GLU 133 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1oe3 n GLY 134 N 2.81 2.12 2.75 8.31 0.00 -1.26 -4.82 105.19 115.10 1oe3 n GLY 134 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 1oe3 n GLY 134 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1oe3 n MET 135 N -2.00 1.57 0.41 1.61 0.00 -0.50 -5.00 117.12 113.21 1oe3 n MET 135 Ca 0.00 -2.70 -0.18 0.00 0.00 0.00 0.00 57.70 54.83 1oe3 n MET 135 Cb 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 33.22 32.25 1oe3 n MET 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1oe3 h VAL 136 N 5.09 0.12 -0.55 3.17 2.07 -1.84 -2.89 116.25 121.41 1oe3 h VAL 136 Ca -0.25 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1oe3 h VAL 136 Cb 1.29 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1oe3 h VAL 136 CO 0.05 0.01 0.31 1.55 0.02 0.00 0.00 177.57 179.51 1oe3 h PRO 137 N -1.20 0.75 -0.51 1.57 0.13 -1.92 -2.63 132.00 128.20 1oe3 h PRO 137 Ca -0.11 -0.07 0.06 0.00 -0.87 0.00 0.00 66.00 65.01 1oe3 h PRO 137 Cb 0.83 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 31.75 1oe3 h PRO 137 CO 0.18 0.54 0.22 2.35 -0.23 0.00 0.00 178.00 181.06 1oe3 h TRP 138 N 0.76 0.39 -0.46 1.56 7.01 -1.95 0.02 115.95 123.28 1oe3 h TRP 138 Ca 0.20 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.14 1oe3 h TRP 138 Cb 0.01 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 26.95 1oe3 h TRP 138 CO 0.00 0.16 -0.05 0.45 -2.79 0.00 0.00 178.44 176.21 1oe3 h HIS 139 N 0.42 0.86 0.18 2.65 3.86 -1.27 -1.89 115.15 119.96 1oe3 h HIS 139 Ca 0.24 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1oe3 h HIS 139 Cb 0.21 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1oe3 h HIS 139 CO -0.13 0.82 -0.09 0.28 0.86 0.00 0.00 177.93 179.67 1oe3 h VAL 140 N 0.73 0.93 0.00 2.45 2.07 -1.17 -2.54 116.25 118.72 1oe3 h VAL 140 Ca 0.13 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1oe3 h VAL 140 Cb 0.52 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1oe3 h VAL 140 CO 0.03 0.14 0.00 -0.37 0.02 0.00 0.00 177.57 177.39 1oe3 h VAL 141 N -0.54 0.00 -0.00 2.57 -1.51 -0.98 -2.15 116.25 113.64 1oe3 h VAL 141 Ca -0.02 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1oe3 h VAL 141 Cb 0.41 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1oe3 h VAL 141 CO 0.04 0.00 -0.05 -1.20 -1.23 0.00 0.00 177.57 175.14 1oe3 n SER 142 N -2.82 0.18 0.00 4.19 7.64 -0.72 -4.71 113.62 117.37 1oe3 n SER 142 Ca 0.01 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1oe3 n SER 142 Cb 0.28 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1oe3 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1oe3 n GLY 143 N 1.27 0.23 3.25 0.23 0.00 -0.81 -1.34 105.19 108.01 1oe3 n GLY 143 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1oe3 n GLY 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1oe3 n MET 144 N 0.00 3.49 -3.56 1.61 2.81 -0.96 -4.59 117.12 115.92 1oe3 n MET 144 Ca 0.00 -3.79 -0.11 0.00 -1.81 0.00 0.00 57.70 51.99 1oe3 n MET 144 Cb 0.00 -2.97 -0.03 0.00 -0.71 0.00 0.00 33.22 29.51 1oe3 n MET 144 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1oe3 s SER 145 N 1.99 -0.37 0.00 7.83 1.04 -1.26 -1.94 113.70 120.99 1oe3 s SER 145 Ca 0.41 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1oe3 s SER 145 Cb 0.01 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1oe3 s SER 145 CO 0.00 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1oe3 n GLY 146 N -0.30 1.68 3.28 7.32 0.00 -0.51 -0.86 105.19 115.79 1oe3 n GLY 146 Ca -0.16 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 1oe3 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oe3 s THR 147 N -2.60 1.96 -0.26 2.61 2.01 -1.26 -0.92 115.64 117.17 1oe3 s THR 147 Ca 0.00 -1.05 -0.09 0.00 0.31 0.00 0.00 61.69 60.86 1oe3 s THR 147 Cb 0.00 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1oe3 s THR 147 CO 0.00 0.55 0.13 -0.22 -0.69 0.00 0.00 174.62 174.40 1oe3 s LEU 148 N -0.43 3.76 -0.25 4.42 2.96 0.13 -1.67 118.68 127.61 1oe3 s LEU 148 Ca 0.05 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.79 1oe3 s LEU 148 Cb -0.11 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1oe3 s LEU 148 CO 0.01 -0.04 0.09 -0.32 -1.32 0.00 0.00 176.35 174.77 1oe3 s MET 149 N 1.65 3.72 -0.45 1.98 -2.45 0.68 -0.66 119.30 123.77 1oe3 s MET 149 Ca 0.07 -0.44 -0.08 0.00 -1.25 0.00 0.00 55.69 53.98 1oe3 s MET 149 Cb -0.15 -3.36 0.11 0.00 1.25 0.00 0.00 34.83 32.67 1oe3 s MET 149 CO 0.07 -0.15 0.31 0.08 1.05 0.00 0.00 175.02 176.39 1oe3 s VAL 150 N 1.53 4.07 0.36 10.11 1.01 0.60 -1.34 120.40 136.74 1oe3 s VAL 150 Ca 0.06 -1.76 -0.25 0.00 0.00 0.00 0.00 61.98 60.04 1oe3 s VAL 150 Cb -0.15 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 1oe3 s VAL 150 CO 0.05 -0.71 0.98 -0.76 0.00 0.00 0.00 175.10 174.65 1oe3 s LEU 151 N 1.34 4.21 0.58 3.92 1.43 -0.14 -0.91 118.68 129.10 1oe3 s LEU 151 Ca 0.06 1.87 -0.21 0.00 -1.03 0.00 0.00 54.13 54.82 1oe3 s LEU 151 Cb -0.25 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 1oe3 s LEU 151 CO -0.01 -0.24 1.34 -2.84 0.23 0.00 0.00 176.35 174.83 1oe3 s PRO 152 N -2.38 2.95 0.51 1.29 0.02 -1.26 -0.68 135.00 135.44 1oe3 s PRO 152 Ca 0.54 2.19 0.22 0.00 0.02 0.00 0.00 61.00 63.98 1oe3 s PRO 152 Cb -0.18 -2.13 1.36 0.00 0.02 0.00 0.00 34.50 33.57 1oe3 s PRO 152 CO 0.23 -1.32 2.09 -0.09 -0.33 0.00 0.00 177.00 177.58 1oe3 h ARG 153 N 1.17 0.00 -0.60 5.54 2.43 -1.89 -1.00 114.38 120.03 1oe3 h ARG 153 Ca -0.51 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 1oe3 h ARG 153 Cb 1.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1oe3 h ARG 153 CO 0.56 0.10 0.03 -3.47 -1.51 0.00 0.00 179.97 175.68 1oe3 n ASP 154 N -4.02 5.69 -0.05 -3.80 2.03 -1.26 -1.25 116.55 113.88 1oe3 n ASP 154 Ca -0.02 -2.97 0.01 0.00 0.52 0.00 0.00 54.79 52.33 1oe3 n ASP 154 Cb 0.19 -0.70 -0.00 0.00 -0.72 0.00 0.00 41.12 39.89 1oe3 n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1oe3 n GLY 155 N 0.55 -1.38 3.78 0.27 0.00 -0.38 -4.48 105.19 103.56 1oe3 n GLY 155 Ca 0.29 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 1oe3 n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oe3 s LEU 156 N -2.55 3.90 0.04 0.99 1.43 -1.26 -4.57 118.68 116.67 1oe3 s LEU 156 Ca 0.00 2.08 0.03 0.00 -1.03 0.00 0.00 54.13 55.21 1oe3 s LEU 156 Cb 0.00 -4.45 -0.02 0.00 0.03 0.00 0.00 46.19 41.75 1oe3 s LEU 156 CO 0.00 -0.87 -0.09 -0.54 0.23 0.00 0.00 176.35 175.07 1oe3 s LYS 157 N -3.03 0.61 0.88 1.70 -0.14 -1.26 -1.12 119.74 117.39 1oe3 s LYS 157 Ca 0.67 -0.75 -0.12 0.00 -1.36 0.00 0.00 55.97 54.41 1oe3 s LYS 157 Cb -0.21 -0.47 0.17 0.00 -1.68 0.00 0.00 37.83 35.63 1oe3 s LYS 157 CO 0.26 0.10 1.22 0.16 -0.76 0.00 0.00 175.35 176.33 1oe3 s ASP 158 N -1.44 3.58 0.64 2.83 -4.77 -0.28 -4.72 116.67 112.50 1oe3 s ASP 158 Ca -0.06 0.16 0.38 0.00 -3.30 0.00 0.00 52.55 49.74 1oe3 s ASP 158 Cb -0.09 -0.35 2.17 0.00 -1.09 0.00 0.00 42.92 43.57 1oe3 s ASP 158 CO 0.01 -2.42 2.32 -0.65 0.70 0.00 0.00 175.17 175.13 1oe3 h PRO 159 N -1.29 0.00 -0.13 2.11 0.11 -1.91 -1.26 132.00 129.63 1oe3 h PRO 159 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1oe3 h PRO 159 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1oe3 h PRO 159 CO 0.42 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.25 1oe3 n GLN 160 N -3.41 2.12 -0.81 1.05 3.00 -1.26 -4.95 117.38 113.12 1oe3 n GLN 160 Ca -0.03 -1.65 0.00 0.00 -0.01 0.00 0.00 57.00 55.31 1oe3 n GLN 160 Cb 0.08 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.85 1oe3 n GLN 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1oe3 n GLY 161 N 1.31 0.57 3.79 1.08 0.00 -0.47 -5.06 105.19 106.41 1oe3 n GLY 161 Ca 0.17 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1oe3 n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oe3 s LYS 162 N -0.54 4.33 0.33 1.61 1.02 -1.26 -4.75 119.74 120.48 1oe3 s LYS 162 Ca 0.00 1.39 -0.28 0.00 0.02 0.00 0.00 55.97 57.10 1oe3 s LYS 162 Cb 0.00 -2.58 -0.10 0.00 -0.52 0.00 0.00 37.83 34.63 1oe3 s LYS 162 CO 0.00 0.03 1.21 -1.25 -0.92 0.00 0.00 175.35 174.42 1oe3 s PRO 163 N -2.44 4.37 -0.04 -1.68 0.04 -1.26 -1.13 135.00 132.87 1oe3 s PRO 163 Ca 0.56 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.64 1oe3 s PRO 163 Cb -0.19 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 1oe3 s PRO 163 CO 0.24 -0.10 -0.15 -0.51 0.04 0.00 0.00 177.00 176.52 1oe3 s LEU 164 N -1.85 2.71 0.00 -3.56 1.43 -0.27 -4.84 118.68 112.30 1oe3 s LEU 164 Ca 0.49 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1oe3 s LEU 164 Cb -0.35 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 1oe3 s LEU 164 CO 0.46 0.33 -0.04 -2.28 0.23 0.00 0.00 176.35 175.06 1oe3 s HIS 165 N -0.75 0.32 0.12 0.29 2.46 -1.26 -4.14 115.29 112.33 1oe3 s HIS 165 Ca 0.12 -0.11 0.08 0.00 0.47 0.00 0.00 55.06 55.63 1oe3 s HIS 165 Cb -0.11 -0.21 -0.04 0.00 -0.13 0.00 0.00 32.58 32.10 1oe3 s HIS 165 CO 0.01 -0.02 -0.15 1.52 -2.47 0.00 0.00 174.74 173.64 1oe3 s TYR 166 N -0.22 2.61 -0.17 3.88 1.13 -1.26 -4.88 117.35 118.44 1oe3 s TYR 166 Ca -0.00 -0.22 0.19 0.00 -1.41 0.00 0.00 57.07 55.62 1oe3 s TYR 166 Cb -0.02 -1.37 -0.08 0.00 -1.10 0.00 0.00 41.96 39.39 1oe3 s TYR 166 CO -0.00 0.41 0.92 -0.44 -2.51 0.00 0.00 175.55 173.93 1oe3 h ASP 167 N 3.63 0.00 -4.21 -0.18 3.32 -1.09 -3.48 116.42 114.41 1oe3 h ASP 167 Ca -0.49 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 1oe3 h ASP 167 Cb 1.17 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.51 1oe3 h ASP 167 CO 0.49 0.36 0.00 -0.60 -1.72 0.00 0.00 179.24 177.77 1oe3 s ARG 168 N -3.09 0.76 -0.06 3.56 6.06 -1.17 -5.03 118.95 119.98 1oe3 s ARG 168 Ca -0.02 0.66 0.04 0.00 -2.50 0.00 0.00 55.73 53.91 1oe3 s ARG 168 Cb 0.09 0.37 -0.02 0.00 0.06 0.00 0.00 34.95 35.44 1oe3 s ARG 168 CO 0.80 -0.13 -0.18 0.00 -2.50 0.00 0.00 175.30 173.28 1oe3 s ALA 169 N -0.07 2.46 0.06 6.12 0.00 -1.26 -1.28 121.76 127.79 1oe3 s ALA 169 Ca -0.03 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.01 1oe3 s ALA 169 Cb -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1oe3 s ALA 169 CO 0.03 0.48 -0.23 0.71 0.00 0.00 0.00 175.76 176.74 1oe3 s TYR 170 N -0.43 2.00 -0.15 0.00 2.02 -0.20 -4.09 117.35 116.50 1oe3 s TYR 170 Ca 0.05 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1oe3 s TYR 170 Cb -0.12 -1.17 0.01 0.00 -0.40 0.00 0.00 41.96 40.28 1oe3 s TYR 170 CO 0.02 0.14 -0.20 -0.08 -1.57 0.00 0.00 175.55 173.86 1oe3 s THR 171 N -0.88 2.23 -0.20 -0.71 -1.32 -0.27 -1.28 115.64 113.22 1oe3 s THR 171 Ca 0.09 -0.91 -0.01 0.00 -1.21 0.00 0.00 61.69 59.65 1oe3 s THR 171 Cb -0.09 -1.91 0.01 0.00 -1.51 0.00 0.00 72.50 69.00 1oe3 s THR 171 CO 0.03 0.54 -0.14 -0.63 -2.21 0.00 0.00 174.62 172.20 1oe3 s ILE 172 N 0.88 2.50 -0.17 5.08 1.09 -0.08 -4.45 121.20 126.06 1oe3 s ILE 172 Ca -0.05 -0.84 -0.05 0.00 -1.10 0.00 0.00 60.65 58.61 1oe3 s ILE 172 Cb -0.15 -2.11 -0.03 0.00 -1.06 0.00 0.00 42.46 39.11 1oe3 s ILE 172 CO -0.03 0.46 -0.01 -0.83 -0.10 0.00 0.00 174.94 174.43 1oe3 s GLY 173 N 1.34 1.75 -0.16 6.18 0.00 -1.26 -1.18 107.32 113.99 1oe3 s GLY 173 Ca 0.04 -0.82 -0.05 0.00 0.00 0.00 0.00 44.72 43.89 1oe3 s GLY 173 CO -0.09 -0.01 -0.01 1.85 0.00 0.00 0.00 173.10 174.83 1oe3 s GLU 174 N 0.43 3.74 -0.23 2.90 2.12 -0.45 -1.07 118.70 126.13 1oe3 s GLU 174 Ca -0.02 -0.48 0.01 0.00 0.36 0.00 0.00 54.97 54.83 1oe3 s GLU 174 Cb -0.14 -2.99 0.06 0.00 0.26 0.00 0.00 34.13 31.32 1oe3 s GLU 174 CO 0.02 0.24 -0.06 -0.06 -0.54 0.00 0.00 175.26 174.86 1oe3 s PHE 175 N 0.39 2.40 -0.32 5.30 0.08 0.12 -4.54 117.98 121.40 1oe3 s PHE 175 Ca -0.02 -1.72 -0.29 0.00 0.12 0.00 0.00 56.93 55.02 1oe3 s PHE 175 Cb -0.14 -1.59 0.01 0.00 -0.57 0.00 0.00 43.02 40.73 1oe3 s PHE 175 CO 0.02 -0.77 1.29 0.16 -0.10 0.00 0.00 175.22 175.83 1oe3 s ASP 176 N 1.40 6.65 0.04 1.36 -4.77 -1.26 -1.18 116.67 118.91 1oe3 s ASP 176 Ca -0.05 1.11 0.01 0.00 -3.30 0.00 0.00 52.55 50.32 1oe3 s ASP 176 Cb -0.18 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.07 1oe3 s ASP 176 CO -0.06 -1.12 0.12 -0.76 0.70 0.00 0.00 175.17 174.04 1oe3 s LEU 177 N 4.45 4.00 -0.56 2.11 1.43 0.16 -4.83 118.68 125.44 1oe3 s LEU 177 Ca 0.56 0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.85 1oe3 s LEU 177 Cb -0.15 -2.53 0.26 0.00 0.03 0.00 0.00 46.19 43.79 1oe3 s LEU 177 CO 0.24 0.21 0.69 -1.22 0.23 0.00 0.00 176.35 176.51 1oe3 n TYR 178 N 0.69 2.46 -2.94 0.29 4.01 -1.26 -0.72 117.16 119.70 1oe3 n TYR 178 Ca -0.09 -3.97 -0.41 0.00 -0.16 0.00 0.00 57.90 53.26 1oe3 n TYR 178 Cb 0.52 -0.49 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 1oe3 n TYR 178 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1oe3 s ILE 179 N -2.21 4.89 0.61 -0.72 -1.09 -1.26 -4.75 121.20 116.68 1oe3 s ILE 179 Ca 0.39 1.51 -0.17 0.00 -2.23 0.00 0.00 60.65 60.15 1oe3 s ILE 179 Cb 0.17 -4.09 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 1oe3 s ILE 179 CO -0.05 0.00 1.13 -2.84 -1.23 0.00 0.00 174.94 171.96 1oe3 s PRO 180 N 2.39 2.98 0.14 2.79 0.02 -1.26 -4.85 135.00 137.21 1oe3 s PRO 180 Ca 0.35 1.54 0.07 0.00 0.02 0.00 0.00 61.00 62.98 1oe3 s PRO 180 Cb -0.16 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 1oe3 s PRO 180 CO 0.10 -1.13 -0.04 0.15 -0.33 0.00 0.00 177.00 175.75 1oe3 s LYS 181 N -3.71 2.31 0.64 5.54 1.02 -1.26 -1.04 119.74 123.25 1oe3 s LYS 181 Ca 0.71 -1.06 0.05 0.00 0.02 0.00 0.00 55.97 55.68 1oe3 s LYS 181 Cb -0.23 -2.35 0.12 0.00 -0.52 0.00 0.00 37.83 34.85 1oe3 s LYS 181 CO 0.35 0.48 0.89 0.41 -0.92 0.00 0.00 175.35 176.56 1oe3 n GLY 182 N 0.21 1.37 0.18 -3.33 0.00 -0.55 -4.85 105.19 98.21 1oe3 n GLY 182 Ca -0.11 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 43.90 1oe3 n GLY 182 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oe3 h PRO 183 N 0.00 0.00 -0.06 1.61 0.13 -2.02 -0.79 132.00 130.87 1oe3 h PRO 183 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1oe3 h PRO 183 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1oe3 h PRO 183 CO 0.37 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.74 1oe3 n ASP 184 N -2.40 0.58 0.00 1.44 5.75 -1.26 -4.93 116.55 115.73 1oe3 n ASP 184 Ca -0.00 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 1oe3 n ASP 184 Cb 0.13 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1oe3 n ASP 184 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oe3 n GLY 185 N 0.91 0.86 3.89 6.12 0.00 -0.30 -5.03 105.19 111.63 1oe3 n GLY 185 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1oe3 n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oe3 s LYS 186 N -0.02 3.61 0.43 1.61 1.02 -1.26 -4.88 119.74 120.24 1oe3 s LYS 186 Ca 0.00 -0.08 -0.26 0.00 0.02 0.00 0.00 55.97 55.64 1oe3 s LYS 186 Cb 0.00 -2.97 -0.09 0.00 -0.52 0.00 0.00 37.83 34.24 1oe3 s LYS 186 CO 0.00 0.56 1.44 0.71 -0.92 0.00 0.00 175.35 177.14 1oe3 s TYR 187 N -1.48 2.51 0.30 3.18 2.02 -1.26 -1.49 117.35 121.14 1oe3 s TYR 187 Ca 0.34 1.24 -0.27 0.00 -0.37 0.00 0.00 57.07 58.01 1oe3 s TYR 187 Cb -0.13 -3.94 -0.09 0.00 -0.40 0.00 0.00 41.96 37.39 1oe3 s TYR 187 CO 0.21 -2.92 0.97 0.15 -1.57 0.00 0.00 175.55 172.39 1oe3 s LYS 188 N -2.33 4.62 -0.17 -0.62 1.02 -0.21 -4.83 119.74 117.22 1oe3 s LYS 188 Ca 0.58 1.44 -0.02 0.00 0.02 0.00 0.00 55.97 58.00 1oe3 s LYS 188 Cb -0.44 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1oe3 s LYS 188 CO 0.58 0.29 -0.09 0.34 -0.92 0.00 0.00 175.35 175.56 1oe3 s ASP 189 N -1.41 4.17 -0.04 2.83 2.15 -1.26 -4.72 116.67 118.40 1oe3 s ASP 189 Ca 0.48 -0.35 0.01 0.00 0.43 0.00 0.00 52.55 53.12 1oe3 s ASP 189 Cb -0.22 -1.68 -0.03 0.00 -0.30 0.00 0.00 42.92 40.69 1oe3 s ASP 189 CO 0.28 0.08 -0.05 -0.31 -0.17 0.00 0.00 175.17 175.00 1oe3 s TYR 190 N 0.88 2.97 0.18 -5.34 2.02 -1.26 -5.03 117.35 111.78 1oe3 s TYR 190 Ca -0.02 0.04 0.14 0.00 -0.37 0.00 0.00 57.07 56.85 1oe3 s TYR 190 Cb -0.15 -1.68 0.40 0.00 -0.40 0.00 0.00 41.96 40.12 1oe3 s TYR 190 CO 0.00 0.38 1.61 0.00 -1.57 0.00 0.00 175.55 175.98 1oe3 h ALA 191 N 4.88 0.89 -2.35 3.71 0.00 -2.00 -3.46 119.26 120.93 1oe3 h ALA 191 Ca -0.49 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 53.71 1oe3 h ALA 191 Cb 1.17 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.72 1oe3 h ALA 191 CO 0.54 0.70 -0.70 0.95 0.00 0.00 0.00 179.25 180.74 1oe3 s THR 192 N -3.46 0.57 0.13 0.00 -4.23 -1.26 -5.06 115.64 102.32 1oe3 s THR 192 Ca -0.00 -1.80 -0.19 0.00 -1.18 0.00 0.00 61.69 58.52 1oe3 s THR 192 Cb 0.11 -1.51 -0.05 0.00 1.34 0.00 0.00 72.50 72.40 1oe3 s THR 192 CO 0.74 -0.84 1.77 0.25 -0.54 0.00 0.00 174.62 175.99 1oe3 h LEU 193 N 3.20 0.30 -1.41 4.79 5.85 -1.95 -3.06 115.31 123.02 1oe3 h LEU 193 Ca -0.35 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1oe3 h LEU 193 Cb 1.17 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1oe3 h LEU 193 CO 0.62 0.24 0.21 0.00 -0.34 0.00 0.00 178.44 179.17 1oe3 h ALA 194 N 1.07 1.55 0.00 1.25 0.00 -1.99 -1.82 119.26 119.32 1oe3 h ALA 194 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1oe3 h ALA 194 Cb -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1oe3 h ALA 194 CO -0.02 0.37 -0.08 0.93 0.00 0.00 0.00 179.25 180.45 1oe3 h GLU 195 N 0.61 0.00 0.00 0.00 5.08 -1.96 -2.71 114.58 115.60 1oe3 h GLU 195 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1oe3 h GLU 195 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1oe3 h GLU 195 CO -0.02 0.08 0.00 -1.13 -1.00 0.00 0.00 179.01 176.94 1oe3 n SER 196 N -3.98 0.72 0.45 1.42 3.41 -0.68 -4.55 113.62 110.40 1oe3 n SER 196 Ca -0.03 0.58 -0.20 0.00 -0.26 0.00 0.00 58.87 58.97 1oe3 n SER 196 Cb 0.17 -0.77 -0.10 0.00 -0.26 0.00 0.00 64.21 63.25 1oe3 n SER 196 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1oe3 h TYR 197 N 0.00 -1.12 -0.63 7.33 3.20 -1.57 -2.31 116.97 121.87 1oe3 h TYR 197 Ca 0.00 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1oe3 h TYR 197 Cb 0.67 0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1oe3 h TYR 197 CO 0.00 -0.68 0.20 0.78 -1.64 0.00 0.00 178.16 176.82 1oe3 h GLY 198 N -1.16 1.04 1.29 1.82 0.00 -1.82 -1.08 103.07 103.17 1oe3 h GLY 198 Ca -0.11 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.55 1oe3 h GLY 198 CO 0.17 0.58 0.16 -0.55 0.00 0.00 0.00 176.54 176.89 1oe3 h ASP 199 N 0.90 0.83 -0.34 0.19 3.32 -1.85 -2.68 116.42 116.78 1oe3 h ASP 199 Ca 0.20 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1oe3 h ASP 199 Cb 0.29 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1oe3 h ASP 199 CO -0.01 0.80 -0.03 0.74 -1.72 0.00 0.00 179.24 179.03 1oe3 h THR 200 N 0.86 1.27 -0.99 0.35 2.02 -0.87 -2.76 112.91 112.79 1oe3 h THR 200 Ca 0.19 -1.03 0.06 0.00 0.77 0.00 0.00 66.41 66.40 1oe3 h THR 200 Cb 0.29 1.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 1oe3 h THR 200 CO -0.00 0.34 0.64 0.58 0.37 0.00 0.00 175.52 177.45 1oe3 h VAL 201 N 0.42 1.11 -0.79 3.16 2.07 -1.04 0.67 116.25 121.85 1oe3 h VAL 201 Ca 0.09 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1oe3 h VAL 201 Cb 0.50 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 1oe3 h VAL 201 CO 0.02 0.22 0.40 -0.61 0.02 0.00 0.00 177.57 177.62 1oe3 h GLN 202 N 1.18 1.12 -0.38 1.57 4.15 -1.32 -1.62 115.11 119.82 1oe3 h GLN 202 Ca 0.42 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 1oe3 h GLN 202 Cb 0.13 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1oe3 h GLN 202 CO -0.16 0.86 0.13 0.28 -1.93 0.00 0.00 178.83 178.01 1oe3 h VAL 203 N 1.11 1.21 -0.70 2.39 2.07 -1.10 -2.95 116.25 118.28 1oe3 h VAL 203 Ca 0.27 -0.67 0.14 0.00 0.82 0.00 0.00 66.70 67.26 1oe3 h VAL 203 Cb 0.09 0.94 -0.10 0.00 -1.52 0.00 0.00 31.29 30.70 1oe3 h VAL 203 CO -0.04 0.23 0.21 0.24 0.02 0.00 0.00 177.57 178.23 1oe3 h MET 204 N 0.46 0.32 0.00 1.57 2.86 -0.43 -1.50 114.93 118.22 1oe3 h MET 204 Ca 0.12 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1oe3 h MET 204 Cb 0.24 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1oe3 h MET 204 CO -0.01 0.21 0.00 0.00 1.06 0.00 0.00 176.91 178.18 1oe3 h ARG 205 N 0.33 0.00 0.00 1.72 3.08 -1.13 -0.36 114.38 118.02 1oe3 h ARG 205 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1oe3 h ARG 205 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1oe3 h ARG 205 CO -0.43 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.72 1oe3 n THR 206 N -2.76 0.70 -1.35 2.04 -2.24 -0.56 -4.92 114.28 105.20 1oe3 n THR 206 Ca 0.00 0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1oe3 n THR 206 Cb 0.21 -0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 67.50 1oe3 n THR 206 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1oe3 n LEU 207 N -2.17 -0.59 -4.19 3.22 4.77 -0.14 -4.98 117.00 112.93 1oe3 n LEU 207 Ca 0.04 0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.95 1oe3 n LEU 207 Cb 0.31 -2.43 -0.13 0.00 -2.33 0.00 0.00 43.42 38.84 1oe3 n LEU 207 CO 0.24 -0.92 -0.27 -0.89 -1.33 0.00 0.00 177.39 174.22 1oe3 s THR 208 N -2.16 3.32 0.46 -5.08 2.01 -1.26 -5.10 115.64 107.83 1oe3 s THR 208 Ca 0.00 -1.48 -0.24 0.00 0.31 0.00 0.00 61.69 60.28 1oe3 s THR 208 Cb 0.00 -3.00 -0.07 0.00 0.01 0.00 0.00 72.50 69.44 1oe3 s THR 208 CO 0.00 -0.28 1.24 -2.84 -0.69 0.00 0.00 174.62 172.05 1oe3 s PRO 209 N 1.27 3.72 0.19 4.92 0.02 -1.26 -4.91 135.00 138.95 1oe3 s PRO 209 Ca -0.01 1.99 0.02 0.00 0.02 0.00 0.00 61.00 63.02 1oe3 s PRO 209 Cb -0.21 -2.51 0.10 0.00 0.02 0.00 0.00 34.50 31.91 1oe3 s PRO 209 CO -0.01 -0.64 1.46 0.66 -0.33 0.00 0.00 177.00 178.14 1oe3 h SER 210 N 2.17 0.32 -5.03 2.53 4.64 -1.25 -3.47 113.55 113.46 1oe3 h SER 210 Ca -0.50 -0.22 -0.12 0.00 -0.47 0.00 0.00 61.79 60.48 1oe3 h SER 210 Cb 1.26 -0.10 -0.19 0.00 -0.31 0.00 0.00 62.40 63.06 1oe3 h SER 210 CO 0.60 0.95 -0.40 -1.00 -0.87 0.00 0.00 176.83 176.11 1oe3 s HIS 211 N -3.51 0.02 -0.16 4.77 3.76 -1.22 -4.93 115.29 114.02 1oe3 s HIS 211 Ca -0.04 -0.15 -0.03 0.00 -0.15 0.00 0.00 55.06 54.69 1oe3 s HIS 211 Cb 0.11 -0.02 0.05 0.00 1.11 0.00 0.00 32.58 33.83 1oe3 s HIS 211 CO 0.82 -0.38 0.04 0.42 -0.85 0.00 0.00 174.74 174.79 1oe3 s ILE 212 N -2.02 0.34 0.11 0.60 1.01 -0.26 -0.67 121.20 120.31 1oe3 s ILE 212 Ca -0.09 -0.31 0.10 0.00 0.00 0.00 0.00 60.65 60.34 1oe3 s ILE 212 Cb -0.04 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1oe3 s ILE 212 CO -0.01 -0.12 -0.25 0.68 0.00 0.00 0.00 174.94 175.24 1oe3 s VAL 213 N 1.95 2.06 -0.08 2.92 -7.23 -0.32 -0.76 120.40 118.93 1oe3 s VAL 213 Ca 0.01 -1.63 -0.20 0.00 -1.81 0.00 0.00 61.98 58.34 1oe3 s VAL 213 Cb -0.16 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 1oe3 s VAL 213 CO -0.07 0.08 0.57 -0.36 -0.31 0.00 0.00 175.10 175.00 1oe3 s PHE 214 N -1.05 3.57 -1.55 2.82 0.08 -1.26 -0.71 117.98 119.88 1oe3 s PHE 214 Ca 0.11 1.06 -0.05 0.00 0.12 0.00 0.00 56.93 58.18 1oe3 s PHE 214 Cb -0.10 -2.64 0.01 0.00 -0.57 0.00 0.00 43.02 39.72 1oe3 s PHE 214 CO 0.05 0.18 0.53 0.09 -0.10 0.00 0.00 175.22 175.97 1oe3 n ASN 215 N 3.51 -5.87 0.00 1.36 4.13 -0.23 -3.27 115.26 114.88 1oe3 n ASN 215 Ca -0.05 -0.26 0.00 0.00 1.68 0.00 0.00 54.58 55.95 1oe3 n ASN 215 Cb 0.51 -4.77 0.00 0.00 -1.54 0.00 0.00 39.78 33.99 1oe3 n ASN 215 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1oe3 n GLY 216 N -1.43 0.08 3.54 7.41 0.00 -1.22 -4.74 105.19 108.82 1oe3 n GLY 216 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1oe3 n GLY 216 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oe3 s LYS 217 N -0.99 0.85 0.18 1.61 -2.85 -1.20 -4.67 119.74 112.67 1oe3 s LYS 217 Ca 0.00 0.10 -0.33 0.00 -1.00 0.00 0.00 55.97 54.74 1oe3 s LYS 217 Cb 0.00 0.40 -0.14 0.00 -2.06 0.00 0.00 37.83 36.03 1oe3 s LYS 217 CO 0.00 -0.29 1.54 0.28 0.10 0.00 0.00 175.35 176.98 1oe3 n VAL 218 N 0.61 0.22 -0.99 1.79 0.31 -0.24 -1.87 118.33 118.17 1oe3 n VAL 218 Ca -0.14 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1oe3 n VAL 218 Cb 0.58 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 1oe3 n VAL 218 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1oe3 n GLY 219 N 3.11 0.31 0.35 2.92 0.00 -1.26 -4.85 105.19 105.77 1oe3 n GLY 219 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1oe3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oe3 h ALA 220 N 0.00 1.62 -1.10 4.61 0.00 -1.58 -2.55 119.26 120.26 1oe3 h ALA 220 Ca 0.00 0.08 -0.74 0.00 0.00 0.00 0.00 54.91 54.25 1oe3 h ALA 220 Cb 0.38 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 17.79 1oe3 h ALA 220 CO 0.00 -0.03 0.73 1.28 0.00 0.00 0.00 179.25 181.23 1oe3 n LEU 221 N -4.77 7.01 -4.16 0.00 4.77 -1.26 -4.71 117.00 113.88 1oe3 n LEU 221 Ca 0.23 -4.91 -0.10 0.00 -0.03 0.00 0.00 56.01 51.19 1oe3 n LEU 221 Cb 0.54 -0.95 -0.10 0.00 -2.33 0.00 0.00 43.42 40.58 1oe3 n LEU 221 CO 0.22 1.85 -0.28 0.42 -1.33 0.00 0.00 177.39 178.26 1oe3 s THR 222 N -5.16 0.08 0.00 -5.08 -4.23 -0.96 -0.80 115.64 99.49 1oe3 s THR 222 Ca 0.51 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1oe3 s THR 222 Cb 0.43 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 72.13 1oe3 s THR 222 CO -0.37 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 1oe3 n GLY 223 N -0.13 2.40 0.30 3.99 0.00 -1.26 -1.37 105.19 109.12 1oe3 n GLY 223 Ca -0.04 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.77 1oe3 n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oe3 h ALA 224 N -0.66 1.56 -0.64 4.61 0.00 -1.97 -2.08 119.26 120.09 1oe3 h ALA 224 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1oe3 h ALA 224 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1oe3 h ALA 224 CO 0.00 -0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.31 1oe3 n ASN 225 N -3.86 4.32 -4.67 0.00 3.02 -0.47 -4.99 115.26 108.61 1oe3 n ASN 225 Ca -0.03 -2.28 -0.37 0.00 -0.03 0.00 0.00 54.58 51.87 1oe3 n ASN 225 Cb 0.10 -0.52 0.06 0.00 -0.61 0.00 0.00 39.78 38.81 1oe3 n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1oe3 n ALA 226 N 1.20 0.68 -1.28 5.41 0.00 -0.78 -3.80 120.51 121.94 1oe3 n ALA 226 Ca 0.24 0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 1oe3 n ALA 226 Cb 0.76 -2.22 0.09 0.00 0.00 0.00 0.00 19.45 18.09 1oe3 n ALA 226 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1oe3 s LEU 227 N -3.11 3.23 0.09 0.00 1.43 -0.56 -4.86 118.68 114.90 1oe3 s LEU 227 Ca 0.79 2.18 0.04 0.00 -1.03 0.00 0.00 54.13 56.11 1oe3 s LEU 227 Cb -0.40 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.22 1oe3 s LEU 227 CO 0.44 -2.21 -0.11 0.42 0.23 0.00 0.00 176.35 175.13 1oe3 s THR 228 N -2.28 0.98 0.33 5.49 -4.23 -1.26 -0.69 115.64 113.98 1oe3 s THR 228 Ca 0.70 -1.54 -0.17 0.00 -1.18 0.00 0.00 61.69 59.50 1oe3 s THR 228 Cb -0.25 -1.26 0.06 0.00 1.34 0.00 0.00 72.50 72.40 1oe3 s THR 228 CO 0.47 -0.47 0.87 0.00 -0.54 0.00 0.00 174.62 174.95 1oe3 s ALA 229 N -2.11 -0.97 0.08 3.99 0.00 -0.87 -4.94 121.76 116.95 1oe3 s ALA 229 Ca 0.03 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.39 1oe3 s ALA 229 Cb -0.05 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 1oe3 s ALA 229 CO 0.01 -1.01 -0.15 0.15 0.00 0.00 0.00 175.76 174.76 1oe3 s LYS 230 N -2.16 0.88 0.13 0.00 1.02 -1.26 -1.67 119.74 116.68 1oe3 s LYS 230 Ca 0.18 -1.00 -0.35 0.00 0.02 0.00 0.00 55.97 54.82 1oe3 s LYS 230 Cb -0.04 -0.93 -0.15 0.00 -0.52 0.00 0.00 37.83 36.18 1oe3 s LYS 230 CO 0.10 0.21 1.43 0.28 -0.92 0.00 0.00 175.35 176.44 1oe3 n VAL 231 N 1.24 0.13 0.00 3.17 0.31 0.09 -1.54 118.33 121.72 1oe3 n VAL 231 Ca -0.21 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1oe3 n VAL 231 Cb 0.54 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 1oe3 n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1oe3 n GLY 232 N 2.81 2.03 3.78 2.92 0.00 0.11 -4.99 105.19 111.85 1oe3 n GLY 232 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1oe3 n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oe3 s GLU 233 N -0.92 4.52 -0.22 1.61 2.12 -0.59 -4.83 118.70 120.39 1oe3 s GLU 233 Ca 0.00 1.11 -0.09 0.00 0.36 0.00 0.00 54.97 56.35 1oe3 s GLU 233 Cb 0.00 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1oe3 s GLU 233 CO 0.00 0.58 0.11 0.99 -0.54 0.00 0.00 175.26 176.40 1oe3 s THR 234 N -1.14 4.91 0.00 -1.70 2.01 -1.26 -1.69 115.64 116.77 1oe3 s THR 234 Ca 0.35 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.41 1oe3 s THR 234 Cb -0.23 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1oe3 s THR 234 CO 0.25 0.38 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.77 1oe3 s VAL 235 N 0.97 3.39 -0.26 3.82 1.01 -0.09 -0.37 120.40 128.88 1oe3 s VAL 235 Ca 0.05 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1oe3 s VAL 235 Cb -0.14 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1oe3 s VAL 235 CO 0.03 0.42 0.18 -0.22 0.00 0.00 0.00 175.10 175.50 1oe3 s LEU 236 N -1.31 4.04 -0.39 3.92 2.96 -0.40 -1.48 118.68 126.01 1oe3 s LEU 236 Ca 0.16 0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 54.03 1oe3 s LEU 236 Cb -0.11 -2.11 0.07 0.00 0.50 0.00 0.00 46.19 44.55 1oe3 s LEU 236 CO 0.06 -0.01 0.20 -0.76 -1.32 0.00 0.00 176.35 174.52 1oe3 s LEU 237 N 1.49 4.90 -0.09 -0.68 1.43 0.36 -1.03 118.68 125.06 1oe3 s LEU 237 Ca 0.07 -1.51 -0.22 0.00 -1.03 0.00 0.00 54.13 51.44 1oe3 s LEU 237 Cb -0.15 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1oe3 s LEU 237 CO 0.08 -0.47 0.64 -0.63 0.23 0.00 0.00 176.35 176.20 1oe3 s ILE 238 N 1.35 5.08 -0.11 -0.59 1.01 -0.40 -1.77 121.20 125.77 1oe3 s ILE 238 Ca 0.02 1.30 -0.01 0.00 0.00 0.00 0.00 60.65 61.97 1oe3 s ILE 238 Cb -0.22 -3.98 0.03 0.00 0.01 0.00 0.00 42.46 38.30 1oe3 s ILE 238 CO 0.01 0.26 -0.07 -2.28 0.00 0.00 0.00 174.94 172.86 1oe3 s HIS 239 N 0.85 1.43 0.01 3.97 2.46 -0.46 -0.90 115.29 122.65 1oe3 s HIS 239 Ca 0.34 -0.72 0.05 0.00 0.47 0.00 0.00 55.06 55.20 1oe3 s HIS 239 Cb -0.17 -1.21 -0.03 0.00 -0.13 0.00 0.00 32.58 31.04 1oe3 s HIS 239 CO 0.15 -0.51 -0.13 -1.54 -2.47 0.00 0.00 174.74 170.25 1oe3 s SER 240 N 1.73 4.18 -0.28 9.88 1.04 -0.32 -1.40 113.70 128.53 1oe3 s SER 240 Ca 0.05 -0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.19 1oe3 s SER 240 Cb -0.13 -0.84 0.12 0.00 0.10 0.00 0.00 66.02 65.27 1oe3 s SER 240 CO -0.08 0.28 0.25 -1.58 0.98 0.00 0.00 173.24 173.09 1oe3 s GLN 241 N -1.30 0.28 0.14 4.02 -0.44 -0.83 -1.35 119.66 120.18 1oe3 s GLN 241 Ca 0.15 -0.17 0.26 0.00 -2.50 0.00 0.00 55.36 53.10 1oe3 s GLN 241 Cb -0.11 -0.84 0.94 0.00 -1.64 0.00 0.00 33.01 31.37 1oe3 s GLN 241 CO 0.05 -0.97 1.79 0.00 0.50 0.00 0.00 175.29 176.66 1oe3 n ALA 242 N 5.30 2.18 0.00 1.58 0.00 -1.26 -0.61 120.51 127.69 1oe3 n ALA 242 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1oe3 n ALA 242 Cb 0.46 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1oe3 n ALA 242 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1oe3 n ASN 243 N -2.00 2.41 -3.71 0.00 5.15 -1.26 -3.09 115.26 112.76 1oe3 n ASN 243 Ca 0.05 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.89 1oe3 n ASN 243 Cb 0.36 0.42 -0.09 0.00 -0.53 0.00 0.00 39.78 39.95 1oe3 n ASN 243 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1oe3 s ARG 244 N -1.10 0.66 0.66 1.20 3.52 -1.26 -4.68 118.95 117.95 1oe3 s ARG 244 Ca 0.00 0.23 -0.17 0.00 -0.13 0.00 0.00 55.73 55.65 1oe3 s ARG 244 Cb 0.00 0.31 -0.00 0.00 -1.56 0.00 0.00 34.95 33.69 1oe3 s ARG 244 CO 0.00 -0.15 1.25 -0.51 -0.81 0.00 0.00 175.30 175.08 1oe3 s ASP 245 N -0.62 4.61 0.17 -2.12 1.01 -1.26 -3.72 116.67 114.75 1oe3 s ASP 245 Ca -0.07 2.49 -0.08 0.00 0.71 0.00 0.00 52.55 55.60 1oe3 s ASP 245 Cb -0.04 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 1oe3 s ASP 245 CO 0.03 -1.99 0.27 0.28 0.21 0.00 0.00 175.17 173.97 1oe3 s THR 246 N -1.61 0.06 -0.43 -1.27 -1.32 -0.57 -4.88 115.64 105.61 1oe3 s THR 246 Ca 0.79 -1.49 0.03 0.00 -1.21 0.00 0.00 61.69 59.82 1oe3 s THR 246 Cb -0.33 -1.94 0.16 0.00 -1.51 0.00 0.00 72.50 68.88 1oe3 s THR 246 CO 0.40 -0.27 0.33 0.00 -2.21 0.00 0.00 174.62 172.87 1oe3 s ARG 247 N -3.99 1.03 0.54 7.08 1.70 -1.26 -1.18 118.95 122.88 1oe3 s ARG 247 Ca 0.20 -2.10 -0.21 0.00 -0.47 0.00 0.00 55.73 53.15 1oe3 s ARG 247 Cb 0.04 -1.67 -0.05 0.00 -0.57 0.00 0.00 34.95 32.70 1oe3 s ARG 247 CO 0.02 -1.33 1.26 -2.14 -1.08 0.00 0.00 175.30 172.03 1oe3 s PRO 248 N 0.09 3.22 -0.17 3.89 0.02 -1.15 -0.92 135.00 139.98 1oe3 s PRO 248 Ca 0.29 1.99 -0.16 0.00 0.02 0.00 0.00 61.00 63.13 1oe3 s PRO 248 Cb -0.03 -2.18 0.05 0.00 0.02 0.00 0.00 34.50 32.35 1oe3 s PRO 248 CO -0.15 -1.05 0.47 -1.58 -0.33 0.00 0.00 177.00 174.36 1oe3 s HIS 249 N -1.45 -0.52 -0.35 6.54 2.46 -0.28 -1.61 115.29 120.09 1oe3 s HIS 249 Ca 0.72 1.25 -0.09 0.00 0.47 0.00 0.00 55.06 57.41 1oe3 s HIS 249 Cb -0.34 0.18 0.03 0.00 -0.13 0.00 0.00 32.58 32.31 1oe3 s HIS 249 CO 0.40 -0.25 0.15 -1.17 -2.47 0.00 0.00 174.74 171.40 1oe3 s LEU 250 N 0.22 4.47 -0.04 8.88 2.96 -1.26 -1.27 118.68 132.63 1oe3 s LEU 250 Ca -0.00 -1.02 -0.30 0.00 -0.22 0.00 0.00 54.13 52.59 1oe3 s LEU 250 Cb -0.03 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 1oe3 s LEU 250 CO 0.01 -0.34 1.47 -0.63 -1.32 0.00 0.00 176.35 175.54 1oe3 s ILE 251 N 1.49 3.73 0.00 6.68 1.01 0.24 -1.35 121.20 133.00 1oe3 s ILE 251 Ca 0.01 1.01 0.00 0.00 0.00 0.00 0.00 60.65 61.67 1oe3 s ILE 251 Cb -0.19 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1oe3 s ILE 251 CO 0.05 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1oe3 n GLY 252 N 3.81 0.88 0.00 6.18 0.00 -1.26 -4.24 105.19 110.56 1oe3 n GLY 252 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1oe3 n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oe3 n GLY 253 N -2.11 6.41 3.52 -0.02 0.00 -0.46 -5.02 105.19 107.51 1oe3 n GLY 253 Ca 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 1oe3 n GLY 253 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oe3 s HIS 254 N -0.06 0.53 -0.48 1.61 3.76 -1.26 -4.73 115.29 114.65 1oe3 s HIS 254 Ca 0.00 -0.86 -0.18 0.00 -0.15 0.00 0.00 55.06 53.87 1oe3 s HIS 254 Cb 0.00 0.05 0.06 0.00 1.11 0.00 0.00 32.58 33.79 1oe3 s HIS 254 CO 0.00 -0.94 0.53 0.20 -0.85 0.00 0.00 174.74 173.68 1oe3 s GLY 255 N -3.05 1.88 0.10 -2.22 0.00 -0.09 -4.73 107.32 99.20 1oe3 s GLY 255 Ca 0.26 -1.83 -0.19 0.00 0.00 0.00 0.00 44.72 42.96 1oe3 s GLY 255 CO 0.10 1.30 1.66 -0.55 0.00 0.00 0.00 173.10 175.61 1oe3 h ASP 256 N 8.88 0.31 -3.43 1.64 3.32 -1.24 -1.64 116.42 124.26 1oe3 h ASP 256 Ca -0.28 -0.15 -0.38 0.00 0.02 0.00 0.00 57.03 56.25 1oe3 h ASP 256 Cb 1.10 -0.08 -0.35 0.00 0.22 0.00 0.00 39.33 40.22 1oe3 h ASP 256 CO 0.91 0.37 -0.76 0.26 -1.72 0.00 0.00 179.24 178.31 1oe3 s TRP 257 N -5.63 0.47 -0.04 4.55 0.52 -1.17 -2.98 118.94 114.65 1oe3 s TRP 257 Ca -0.13 -0.06 0.01 0.00 0.02 0.00 0.00 56.10 55.94 1oe3 s TRP 257 Cb 0.08 -0.55 0.02 0.00 -1.15 0.00 0.00 33.47 31.87 1oe3 s TRP 257 CO 0.71 -0.18 -0.05 0.08 0.02 0.00 0.00 176.95 177.52 1oe3 s VAL 258 N 1.24 0.58 -0.83 4.03 1.01 0.15 -0.81 120.40 125.77 1oe3 s VAL 258 Ca -0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1oe3 s VAL 258 Cb -0.13 -0.58 0.21 0.00 0.00 0.00 0.00 36.38 35.87 1oe3 s VAL 258 CO -0.02 0.22 0.72 0.26 0.00 0.00 0.00 175.10 176.28 1oe3 s TRP 259 N 0.73 3.76 0.26 5.22 0.51 -0.31 -1.22 118.94 127.90 1oe3 s TRP 259 Ca -0.10 -2.68 0.04 0.00 -2.12 0.00 0.00 56.10 51.24 1oe3 s TRP 259 Cb -0.13 -3.43 0.34 0.00 -0.81 0.00 0.00 33.47 29.44 1oe3 s TRP 259 CO 0.01 -0.85 1.64 1.05 -0.51 0.00 0.00 176.95 178.28 1oe3 h GLU 260 N 6.77 0.33 0.00 4.98 4.11 -1.87 -0.78 114.58 128.12 1oe3 h GLU 260 Ca 0.10 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 59.35 1oe3 h GLU 260 Cb 0.91 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1oe3 h GLU 260 CO 0.81 0.72 0.00 0.25 0.07 0.00 0.00 179.01 180.86 1oe3 n THR 261 N -3.99 0.00 -1.04 -1.06 -2.24 -1.26 -4.35 114.28 100.34 1oe3 n THR 261 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1oe3 n THR 261 Cb 0.52 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1oe3 n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oe3 n GLY 262 N 1.40 0.42 2.96 3.38 0.00 -0.33 -4.81 105.19 108.22 1oe3 n GLY 262 Ca 0.10 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 1oe3 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oe3 s LYS 263 N -2.10 1.73 0.03 1.61 -0.14 -1.26 -0.62 119.74 118.99 1oe3 s LYS 263 Ca 0.00 -0.98 0.20 0.00 -1.36 0.00 0.00 55.97 53.82 1oe3 s LYS 263 Cb 0.00 -2.57 0.82 0.00 -1.68 0.00 0.00 37.83 34.40 1oe3 s LYS 263 CO 0.00 -0.56 1.62 1.19 -0.76 0.00 0.00 175.35 176.84 1oe3 n PHE 264 N 4.66 0.10 0.65 3.18 3.72 -1.16 -1.88 117.46 126.73 1oe3 n PHE 264 Ca -0.13 0.04 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 1oe3 n PHE 264 Cb 0.44 -0.56 0.46 0.00 -0.94 0.00 0.00 39.48 38.89 1oe3 n PHE 264 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1oe3 n ALA 265 N -1.53 2.08 -2.36 4.37 0.00 -1.26 -4.75 120.51 117.05 1oe3 n ALA 265 Ca 0.04 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 1oe3 n ALA 265 Cb 0.23 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 1oe3 n ALA 265 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1oe3 s ASN 266 N -3.93 6.83 0.36 0.00 0.01 -0.79 -5.05 114.94 112.37 1oe3 s ASN 266 Ca 0.10 1.08 -0.28 0.00 -0.71 0.00 0.00 52.86 53.05 1oe3 s ASN 266 Cb 0.13 -2.29 -0.10 0.00 0.41 0.00 0.00 41.25 39.40 1oe3 s ASN 266 CO 0.50 0.11 1.35 -2.16 -1.51 0.00 0.00 177.10 175.39 1oe3 s PRO 267 N -1.91 4.18 0.77 -0.60 0.04 -1.26 -4.96 135.00 131.25 1oe3 s PRO 267 Ca 0.37 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.59 1oe3 s PRO 267 Cb -0.15 -2.96 0.05 0.00 0.04 0.00 0.00 34.50 31.48 1oe3 s PRO 267 CO 0.19 -0.36 1.10 -1.25 0.04 0.00 0.00 177.00 176.71 1oe3 s PRO 268 N -1.99 2.33 0.11 0.56 0.04 -1.26 -4.96 135.00 129.82 1oe3 s PRO 268 Ca 0.52 0.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.15 1oe3 s PRO 268 Cb -0.41 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1oe3 s PRO 268 CO 0.54 -1.44 0.29 -0.65 0.04 0.00 0.00 177.00 175.78 1oe3 s GLN 269 N -5.21 3.51 0.20 4.56 -0.21 -0.36 -4.75 119.66 117.41 1oe3 s GLN 269 Ca 0.60 -0.32 0.08 0.00 0.02 0.00 0.00 55.36 55.74 1oe3 s GLN 269 Cb -0.13 -2.95 -0.04 0.00 1.00 0.00 0.00 33.01 30.89 1oe3 s GLN 269 CO 0.54 0.53 -0.03 -0.98 -2.12 0.00 0.00 175.29 173.23 1oe3 s ARG 270 N -2.71 2.27 -1.19 2.91 1.70 -1.26 -0.68 118.95 119.99 1oe3 s ARG 270 Ca 0.37 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 54.40 1oe3 s ARG 270 Cb -0.12 -2.25 0.00 0.00 -0.57 0.00 0.00 34.95 32.01 1oe3 s ARG 270 CO 0.27 0.42 0.00 -0.25 -1.08 0.00 0.00 175.30 174.66 1oe3 n ASP 271 N -0.28 -4.24 -4.77 -2.89 8.00 -0.81 -4.97 116.55 106.58 1oe3 n ASP 271 Ca -0.09 0.19 -0.40 0.00 0.71 0.00 0.00 54.79 55.20 1oe3 n ASP 271 Cb 0.56 -3.03 -0.01 0.00 -0.02 0.00 0.00 41.12 38.62 1oe3 n ASP 271 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1oe3 s LEU 272 N -3.00 4.36 -0.14 0.64 1.43 -0.68 -4.78 118.68 116.51 1oe3 s LEU 272 Ca 0.00 2.74 -0.26 0.00 -1.03 0.00 0.00 54.13 55.58 1oe3 s LEU 272 Cb 0.00 -3.71 -0.25 0.00 0.03 0.00 0.00 46.19 42.26 1oe3 s LEU 272 CO 0.00 -0.66 0.64 1.05 0.23 0.00 0.00 176.35 177.61 1oe3 h GLU 273 N 3.15 0.05 -3.51 1.70 4.11 -1.91 -0.20 114.58 117.96 1oe3 h GLU 273 Ca -0.49 -0.08 -0.24 0.00 0.07 0.00 0.00 59.36 58.62 1oe3 h GLU 273 Cb 1.23 0.03 -0.30 0.00 0.50 0.00 0.00 28.75 30.22 1oe3 h GLU 273 CO 0.64 1.04 -0.65 0.99 0.07 0.00 0.00 179.01 181.10 1oe3 s THR 274 N -2.29 -0.02 0.50 -1.06 2.01 -1.26 -4.33 115.64 109.18 1oe3 s THR 274 Ca -0.21 0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1oe3 s THR 274 Cb -0.00 -0.12 0.01 0.00 0.01 0.00 0.00 72.50 72.40 1oe3 s THR 274 CO 0.69 0.03 0.12 -2.67 -0.69 0.00 0.00 174.62 172.10 1oe3 n TRP 275 N 3.49 0.60 -3.75 4.92 2.14 -0.63 -4.99 117.44 119.22 1oe3 n TRP 275 Ca -0.18 -2.34 -0.23 0.00 2.07 0.00 0.00 57.50 56.82 1oe3 n TRP 275 Cb 0.56 -0.35 -0.18 0.00 -0.81 0.00 0.00 31.31 30.53 1oe3 n TRP 275 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1oe3 s PHE 276 N -2.70 0.60 -0.36 -2.67 5.36 -1.26 -2.94 117.98 114.01 1oe3 s PHE 276 Ca 0.09 -0.17 -0.11 0.00 -0.96 0.00 0.00 56.93 55.78 1oe3 s PHE 276 Cb -0.01 -0.77 0.02 0.00 -0.34 0.00 0.00 43.02 41.92 1oe3 s PHE 276 CO 0.06 -0.34 0.21 0.42 -1.46 0.00 0.00 175.22 174.10 1oe3 s ILE 277 N 2.00 4.68 0.27 3.12 -1.09 -0.32 -4.56 121.20 125.29 1oe3 s ILE 277 Ca 0.04 -0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 57.45 1oe3 s ILE 277 Cb -0.13 -3.55 -0.10 0.00 -1.58 0.00 0.00 42.46 37.10 1oe3 s ILE 277 CO -0.05 -0.17 1.45 -0.13 -1.23 0.00 0.00 174.94 174.81 1oe3 s ARG 278 N 1.59 4.24 0.23 2.79 0.52 -1.26 -1.52 118.95 125.54 1oe3 s ARG 278 Ca 0.03 2.35 -0.32 0.00 -0.52 0.00 0.00 55.73 57.28 1oe3 s ARG 278 Cb -0.19 -3.08 -0.13 0.00 0.52 0.00 0.00 34.95 32.06 1oe3 s ARG 278 CO 0.07 -0.44 1.42 0.41 0.02 0.00 0.00 175.30 176.79 1oe3 n GLY 279 N 1.97 0.81 1.23 -3.53 0.00 -1.24 -1.82 105.19 102.60 1oe3 n GLY 279 Ca 0.06 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1oe3 n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oe3 n GLY 280 N 2.29 0.81 3.55 -0.02 0.00 0.22 -4.75 105.19 107.29 1oe3 n GLY 280 Ca 0.12 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 1oe3 n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oe3 s SER 281 N -2.61 -0.11 0.00 1.61 1.04 -0.76 -4.80 113.70 108.07 1oe3 s SER 281 Ca 0.00 -0.81 0.07 0.00 0.48 0.00 0.00 55.95 55.68 1oe3 s SER 281 Cb 0.00 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 1oe3 s SER 281 CO 0.00 -1.09 -0.20 0.00 0.98 0.00 0.00 173.24 172.92 1oe3 s ALA 282 N -3.98 1.71 0.44 5.32 0.00 -1.26 -1.96 121.76 122.02 1oe3 s ALA 282 Ca 0.18 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1oe3 s ALA 282 Cb -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1oe3 s ALA 282 CO 0.05 0.41 0.10 0.20 0.00 0.00 0.00 175.76 176.51 1oe3 s GLY 283 N -0.67 2.72 -0.08 0.00 0.00 -0.49 -3.86 107.32 104.94 1oe3 s GLY 283 Ca 0.08 -1.03 -0.13 0.00 0.00 0.00 0.00 44.72 43.63 1oe3 s GLY 283 CO -0.00 -1.93 0.33 0.00 0.00 0.00 0.00 173.10 171.50 1oe3 s ALA 284 N -3.12 -0.82 -0.01 3.20 0.00 -1.03 -1.35 121.76 118.63 1oe3 s ALA 284 Ca 0.19 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.87 1oe3 s ALA 284 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1oe3 s ALA 284 CO 0.12 -0.21 -0.11 0.00 0.00 0.00 0.00 175.76 175.56 1oe3 s ALA 285 N -0.50 0.94 -0.11 0.00 0.00 -0.73 -1.16 121.76 120.20 1oe3 s ALA 285 Ca -0.06 -0.48 -0.06 0.00 0.00 0.00 0.00 51.96 51.36 1oe3 s ALA 285 Cb -0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1oe3 s ALA 285 CO 0.02 0.22 0.11 -0.51 0.00 0.00 0.00 175.76 175.61 1oe3 s LEU 286 N -0.24 4.21 -0.06 0.00 1.43 0.01 -0.49 118.68 123.54 1oe3 s LEU 286 Ca 0.04 0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 1oe3 s LEU 286 Cb -0.05 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1oe3 s LEU 286 CO -0.00 0.39 0.16 -0.47 0.23 0.00 0.00 176.35 176.66 1oe3 s TYR 287 N -1.01 -0.18 -0.29 0.29 5.04 -0.55 -0.72 117.35 119.91 1oe3 s TYR 287 Ca 0.15 0.47 -0.10 0.00 -2.44 0.00 0.00 57.07 55.15 1oe3 s TYR 287 Cb -0.12 0.01 -0.02 0.00 0.35 0.00 0.00 41.96 42.18 1oe3 s TYR 287 CO 0.04 -0.12 0.16 0.99 -1.34 0.00 0.00 175.55 175.28 1oe3 s THR 288 N 0.52 4.83 0.22 4.34 2.01 -1.26 -0.91 115.64 125.39 1oe3 s THR 288 Ca -0.04 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 1oe3 s THR 288 Cb -0.05 -3.38 -0.09 0.00 0.01 0.00 0.00 72.50 68.99 1oe3 s THR 288 CO -0.02 0.16 1.34 -0.36 -0.69 0.00 0.00 174.62 175.04 1oe3 s PHE 289 N 1.67 3.19 0.00 4.92 0.08 -0.68 -4.91 117.98 122.25 1oe3 s PHE 289 Ca 0.06 1.20 0.00 0.00 0.12 0.00 0.00 56.93 58.31 1oe3 s PHE 289 Cb -0.16 -3.65 0.00 0.00 -0.57 0.00 0.00 43.02 38.63 1oe3 s PHE 289 CO 0.08 -2.04 0.00 1.63 -0.10 0.00 0.00 175.22 174.79 1oe3 n LYS 290 N 2.37 5.62 -4.22 0.44 5.02 -1.26 -0.71 118.16 125.42 1oe3 n LYS 290 Ca 0.06 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.18 1oe3 n LYS 290 Cb 0.42 -0.49 -0.14 0.00 -0.02 0.00 0.00 35.03 34.80 1oe3 n LYS 290 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1oe3 s GLN 291 N -0.97 0.57 0.78 1.97 -1.52 -1.26 -4.63 119.66 114.60 1oe3 s GLN 291 Ca 0.00 -0.35 -0.12 0.00 -1.95 0.00 0.00 55.36 52.94 1oe3 s GLN 291 Cb 0.00 -0.52 0.07 0.00 -0.22 0.00 0.00 33.01 32.33 1oe3 s GLN 291 CO 0.00 0.14 1.16 -1.25 -0.25 0.00 0.00 175.29 175.08 1oe3 s PRO 292 N -0.44 2.16 0.00 2.91 0.04 -1.26 -4.81 135.00 133.60 1oe3 s PRO 292 Ca 0.01 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1oe3 s PRO 292 Cb -0.04 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1oe3 s PRO 292 CO -0.00 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 175.98 1oe3 n GLY 293 N -3.24 0.86 3.44 0.56 0.00 -0.33 -4.97 105.19 101.52 1oe3 n GLY 293 Ca 0.08 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 1oe3 n GLY 293 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oe3 s VAL 294 N -0.96 5.23 0.42 1.61 1.01 -1.26 -1.16 120.40 125.29 1oe3 s VAL 294 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1oe3 s VAL 294 Cb 0.00 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1oe3 s VAL 294 CO 0.00 -0.41 0.76 -0.31 0.00 0.00 0.00 175.10 175.15 1oe3 s TYR 295 N 1.73 3.49 -0.04 5.22 1.51 -0.00 -4.91 117.35 124.35 1oe3 s TYR 295 Ca 0.06 0.98 -0.01 0.00 -1.01 0.00 0.00 57.07 57.08 1oe3 s TYR 295 Cb -0.20 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.21 1oe3 s TYR 295 CO 0.09 -0.13 0.06 0.00 -1.11 0.00 0.00 175.55 174.46 1oe3 s ALA 296 N -2.44 3.53 -0.18 3.71 0.00 -1.26 -1.15 121.76 123.97 1oe3 s ALA 296 Ca 0.50 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1oe3 s ALA 296 Cb -0.10 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.45 1oe3 s ALA 296 CO 0.34 0.65 -0.19 -0.47 0.00 0.00 0.00 175.76 176.09 1oe3 s TYR 297 N -1.09 2.78 0.16 0.00 5.04 -0.24 -0.59 117.35 123.40 1oe3 s TYR 297 Ca 0.19 -1.59 -0.15 0.00 -2.44 0.00 0.00 57.07 53.08 1oe3 s TYR 297 Cb -0.12 -1.92 0.02 0.00 0.35 0.00 0.00 41.96 40.29 1oe3 s TYR 297 CO 0.10 -0.78 0.41 -0.48 -1.34 0.00 0.00 175.55 173.46 1oe3 s LEU 298 N 1.26 0.43 -0.14 6.97 0.05 -0.40 -0.59 118.68 126.26 1oe3 s LEU 298 Ca 0.04 -0.49 -0.29 0.00 0.05 0.00 0.00 54.13 53.44 1oe3 s LEU 298 Cb -0.13 1.80 -0.02 0.00 -2.05 0.00 0.00 46.19 45.79 1oe3 s LEU 298 CO -0.12 -0.93 1.31 0.21 -0.55 0.00 0.00 176.35 176.28 1oe3 s ASN 299 N -2.86 6.92 -0.11 1.48 3.84 -0.71 -1.12 114.94 122.37 1oe3 s ASN 299 Ca 0.08 1.77 0.03 0.00 0.21 0.00 0.00 52.86 54.96 1oe3 s ASN 299 Cb 0.01 -2.54 0.26 0.00 -0.55 0.00 0.00 41.25 38.43 1oe3 s ASN 299 CO -0.07 -0.77 1.06 1.57 -2.79 0.00 0.00 177.10 176.11 1oe3 n HIS 300 N 6.54 0.83 -2.69 0.43 -0.00 -0.10 -4.05 115.22 116.18 1oe3 n HIS 300 Ca 0.14 -0.50 -0.42 0.00 -0.00 0.00 0.00 57.72 56.93 1oe3 n HIS 300 Cb 0.45 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.99 30.07 1oe3 n HIS 300 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1oe3 s ASN 301 N -0.08 6.26 0.54 0.26 3.84 -1.26 -4.92 114.94 119.58 1oe3 s ASN 301 Ca 0.19 -0.43 0.32 0.00 0.21 0.00 0.00 52.86 53.14 1oe3 s ASN 301 Cb 0.15 -2.50 1.49 0.00 -0.55 0.00 0.00 41.25 39.83 1oe3 s ASN 301 CO 0.05 -1.55 2.04 -0.07 -2.79 0.00 0.00 177.10 174.78 1oe3 h LEU 302 N 12.00 0.00 -0.06 3.21 3.38 -1.99 -0.34 115.31 131.50 1oe3 h LEU 302 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1oe3 h LEU 302 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1oe3 h LEU 302 CO 1.20 0.07 -0.02 0.40 0.09 0.00 0.00 178.44 180.18 1oe3 h ILE 303 N 0.00 1.30 -0.92 1.22 2.04 -1.91 -0.35 117.51 118.89 1oe3 h ILE 303 Ca -0.00 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 64.98 1oe3 h ILE 303 Cb 0.43 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 1oe3 h ILE 303 CO 0.01 0.25 0.60 -0.33 0.00 0.00 0.00 178.15 178.69 1oe3 h GLU 304 N -0.24 1.05 0.29 2.37 5.08 -1.53 -0.60 114.58 120.99 1oe3 h GLU 304 Ca 0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1oe3 h GLU 304 Cb 0.41 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1oe3 h GLU 304 CO 0.01 0.69 -0.14 0.00 -1.00 0.00 0.00 179.01 178.57 1oe3 h ALA 305 N 1.49 -0.53 0.09 3.43 0.00 -1.10 -1.91 119.26 120.73 1oe3 h ALA 305 Ca 0.39 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.93 1oe3 h ALA 305 Cb 0.15 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1oe3 h ALA 305 CO -0.14 -0.50 -1.45 0.74 0.00 0.00 0.00 179.25 177.89 1oe3 h PHE 306 N -0.76 0.34 0.14 0.00 0.04 -1.07 -2.50 116.94 113.12 1oe3 h PHE 306 Ca -0.04 -0.25 -0.31 0.00 2.80 0.00 0.00 57.97 60.17 1oe3 h PHE 306 Cb 0.30 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 1oe3 h PHE 306 CO 0.03 1.28 -1.59 0.93 -0.60 0.00 0.00 178.31 178.36 1oe3 h GLU 307 N 0.05 0.30 0.00 1.51 4.39 -1.27 -3.42 114.58 116.14 1oe3 h GLU 307 Ca -0.21 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 58.98 1oe3 h GLU 307 Cb 1.98 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.81 1oe3 h GLU 307 CO 0.15 1.24 -1.51 1.28 -1.16 0.00 0.00 179.01 179.02 1oe3 n LEU 308 N -3.77 0.43 0.00 1.33 4.77 -0.77 -5.01 117.00 113.98 1oe3 n LEU 308 Ca -0.26 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1oe3 n LEU 308 Cb 0.97 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 1oe3 n LEU 308 CO 0.45 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1oe3 n GLY 309 N 1.39 0.64 2.81 -0.72 0.00 -0.85 -1.10 105.19 107.36 1oe3 n GLY 309 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1oe3 n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oe3 n ALA 310 N 0.00 5.58 -3.55 4.61 0.00 0.06 -4.05 120.51 123.15 1oe3 n ALA 310 Ca 0.00 -4.30 -0.14 0.00 0.00 0.00 0.00 53.44 49.00 1oe3 n ALA 310 Cb 0.00 -2.93 -0.08 0.00 0.00 0.00 0.00 19.45 16.44 1oe3 n ALA 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oe3 s ALA 311 N 0.08 -1.60 0.35 0.00 0.00 -1.26 -1.75 121.76 117.58 1oe3 s ALA 311 Ca 0.41 1.81 0.07 0.00 0.00 0.00 0.00 51.96 54.25 1oe3 s ALA 311 Cb 0.11 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1oe3 s ALA 311 CO -0.01 -0.31 0.27 0.20 0.00 0.00 0.00 175.76 175.91 1oe3 s GLY 312 N 0.31 2.42 0.11 0.00 0.00 0.24 -4.52 107.32 105.88 1oe3 s GLY 312 Ca -0.00 -1.96 0.10 0.00 0.00 0.00 0.00 44.72 42.86 1oe3 s GLY 312 CO 0.01 -1.52 -0.26 0.30 0.00 0.00 0.00 173.10 171.63 1oe3 s HIS 313 N -3.39 2.23 -0.20 1.90 3.76 0.02 -1.08 115.29 118.52 1oe3 s HIS 313 Ca 0.38 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.91 1oe3 s HIS 313 Cb 0.02 -1.23 0.04 0.00 1.11 0.00 0.00 32.58 32.53 1oe3 s HIS 313 CO 0.27 0.28 -0.09 0.42 -0.85 0.00 0.00 174.74 174.76 1oe3 s ILE 314 N -1.03 1.62 -0.30 0.60 1.01 -0.30 -1.50 121.20 121.31 1oe3 s ILE 314 Ca 0.12 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 1oe3 s ILE 314 Cb -0.10 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1oe3 s ILE 314 CO 0.05 0.13 0.49 -0.75 0.00 0.00 0.00 174.94 174.86 1oe3 s LYS 315 N 1.40 3.88 -0.16 2.79 2.20 0.14 -0.82 119.74 129.16 1oe3 s LYS 315 Ca -0.02 0.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 1oe3 s LYS 315 Cb -0.17 -3.72 0.01 0.00 -1.51 0.00 0.00 37.83 32.44 1oe3 s LYS 315 CO -0.08 -0.46 -0.18 0.08 -0.36 0.00 0.00 175.35 174.35 1oe3 s VAL 316 N 2.31 2.38 0.34 4.02 1.01 -0.31 -2.05 120.40 128.10 1oe3 s VAL 316 Ca 0.19 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1oe3 s VAL 316 Cb -0.16 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1oe3 s VAL 316 CO 0.11 0.52 0.64 -1.61 0.00 0.00 0.00 175.10 174.76 1oe3 s GLU 317 N 1.00 3.68 0.00 2.72 0.41 -0.67 -1.18 118.70 124.66 1oe3 s GLU 317 Ca -0.02 0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.71 1oe3 s GLU 317 Cb -0.15 -2.55 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 1oe3 s GLU 317 CO -0.04 0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.24 1oe3 n GLY 318 N -1.14 0.87 3.74 -1.39 0.00 -1.26 -0.74 105.19 105.27 1oe3 n GLY 318 Ca -0.00 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 1oe3 n GLY 318 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oe3 s LYS 319 N -1.62 4.25 0.31 1.61 2.20 -1.26 -4.65 119.74 120.59 1oe3 s LYS 319 Ca 0.00 0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.57 1oe3 s LYS 319 Cb 0.00 -3.41 -0.10 0.00 -1.51 0.00 0.00 37.83 32.81 1oe3 s LYS 319 CO 0.00 0.25 1.26 -0.46 -0.36 0.00 0.00 175.35 176.04 1oe3 s TRP 320 N 0.38 3.18 -0.38 4.03 -0.11 -1.26 -4.44 118.94 120.33 1oe3 s TRP 320 Ca 0.21 1.47 -0.02 0.00 1.22 0.00 0.00 56.10 58.98 1oe3 s TRP 320 Cb -0.14 -3.59 0.10 0.00 -1.50 0.00 0.00 33.47 28.34 1oe3 s TRP 320 CO 0.07 -1.57 0.15 1.21 -4.62 0.00 0.00 176.95 172.19 1oe3 s ASN 321 N -0.54 5.14 0.38 5.86 3.84 -1.26 -4.99 114.94 123.38 1oe3 s ASN 321 Ca 0.48 -1.93 0.28 0.00 0.21 0.00 0.00 52.86 51.90 1oe3 s ASN 321 Cb -0.38 -1.79 1.18 0.00 -0.55 0.00 0.00 41.25 39.72 1oe3 s ASN 321 CO 0.50 -0.48 1.83 0.44 -2.79 0.00 0.00 177.10 176.60 1oe3 h ASP 322 N 7.98 0.00 -0.33 -4.21 3.32 -1.96 -2.63 116.42 118.59 1oe3 h ASP 322 Ca -0.13 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.80 1oe3 h ASP 322 Cb 1.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1oe3 h ASP 322 CO 0.65 0.00 -0.26 -0.78 -1.72 0.00 0.00 179.24 177.13 1oe3 h ASP 323 N 0.00 0.80 -0.21 6.45 3.58 -2.02 -3.24 116.42 121.78 1oe3 h ASP 323 Ca 0.00 -0.45 -0.19 0.00 0.42 0.00 0.00 57.03 56.81 1oe3 h ASP 323 Cb 0.38 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1oe3 h ASP 323 CO 0.00 1.08 -0.59 -0.07 -2.88 0.00 0.00 179.24 176.78 1oe3 h LEU 324 N 0.54 0.92 -7.05 2.28 3.38 -1.91 -3.45 115.31 110.02 1oe3 h LEU 324 Ca 0.06 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1oe3 h LEU 324 Cb 0.82 -0.26 -0.22 0.00 0.09 0.00 0.00 40.66 41.09 1oe3 h LEU 324 CO 0.07 1.30 -0.00 -0.32 0.09 0.00 0.00 178.44 179.58 1oe3 s MET 325 N -4.04 0.69 -0.01 1.13 0.00 -1.07 -5.15 119.30 110.86 1oe3 s MET 325 Ca -0.10 1.07 -0.00 0.00 0.00 0.00 0.00 55.69 56.66 1oe3 s MET 325 Cb 0.10 0.20 0.02 0.00 0.00 0.00 0.00 34.83 35.15 1oe3 s MET 325 CO 0.89 -0.13 0.03 0.21 0.00 0.00 0.00 175.02 176.01 1oe3 s LYS 326 N 1.17 -0.01 -0.51 4.11 2.20 -1.25 -4.01 119.74 121.44 1oe3 s LYS 326 Ca -0.07 0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.37 1oe3 s LYS 326 Cb -0.05 -0.11 0.01 0.00 -1.51 0.00 0.00 37.83 36.17 1oe3 s LYS 326 CO -0.12 -0.08 1.38 -1.14 -0.36 0.00 0.00 175.35 175.03 1oe3 s GLN 327 N 0.53 3.42 0.01 4.03 0.74 -1.26 -4.89 119.66 122.23 1oe3 s GLN 327 Ca -0.04 0.59 -0.18 0.00 0.05 0.00 0.00 55.36 55.77 1oe3 s GLN 327 Cb -0.06 -4.07 -0.30 0.00 1.10 0.00 0.00 33.01 29.68 1oe3 s GLN 327 CO -0.02 -1.78 1.02 0.82 -0.55 0.00 0.00 175.29 174.78 1oe3 h ILE 328 N 6.38 1.39 -3.31 -2.34 1.08 -2.02 -3.44 117.51 115.26 1oe3 h ILE 328 Ca -0.27 -2.45 -0.39 0.00 -0.39 0.00 0.00 64.86 61.36 1oe3 h ILE 328 Cb 1.09 2.90 -0.38 0.00 -3.07 0.00 0.00 36.82 37.36 1oe3 h ILE 328 CO 1.15 0.72 -0.75 -0.54 -0.69 0.00 0.00 178.15 178.04 1oe3 s LYS 329 N -2.78 0.24 0.77 2.37 -0.14 -1.26 -5.15 119.74 113.79 1oe3 s LYS 329 Ca -0.12 0.24 -0.12 0.00 -1.36 0.00 0.00 55.97 54.61 1oe3 s LYS 329 Cb 0.03 -0.69 0.06 0.00 -1.68 0.00 0.00 37.83 35.55 1oe3 s LYS 329 CO 0.88 -0.30 1.13 0.00 -0.76 0.00 0.00 175.35 176.30 1oe3 s ALA 330 N 1.98 2.09 0.11 5.17 0.00 -1.26 -4.92 121.76 124.92 1oe3 s ALA 330 Ca 0.04 0.52 -0.36 0.00 0.00 0.00 0.00 51.96 52.16 1oe3 s ALA 330 Cb -0.12 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.48 1oe3 s ALA 330 CO -0.04 -1.92 1.46 -2.30 0.00 0.00 0.00 175.76 172.96 1oe3 n PRO 331 N -3.31 1.60 -3.71 0.00 -0.02 -1.26 -4.95 135.00 123.35 1oe3 n PRO 331 Ca 0.11 0.58 -0.09 0.00 -2.02 0.00 0.00 63.50 62.07 1oe3 n PRO 331 Cb 0.52 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 1oe3 n PRO 331 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oe3 s ALA 332 N 0.81 -1.25 0.38 3.55 0.00 -1.26 -5.15 121.76 118.85 1oe3 s ALA 332 Ca 0.83 -0.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 1oe3 s ALA 332 Cb -0.83 0.87 -0.11 0.00 0.00 0.00 0.00 23.12 23.04 1oe3 s ALA 332 CO 0.44 -0.91 1.21 -2.30 0.00 0.00 0.00 175.76 174.19 1oe3 n PRO 333 N -0.41 1.84 -1.74 0.00 -0.02 -1.26 -4.90 135.00 128.50 1oe3 n PRO 333 Ca -0.09 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 1oe3 n PRO 333 Cb 0.61 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1oe3 n PRO 333 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1oe3 s ILE 334 N -1.16 2.08 0.31 4.25 1.01 -1.26 -4.92 121.20 121.52 1oe3 s ILE 334 Ca 0.59 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 61.00 1oe3 s ILE 334 Cb -0.56 -3.03 -0.12 0.00 0.01 0.00 0.00 42.46 38.76 1oe3 s ILE 334 CO 0.59 0.00 1.38 -2.65 0.00 0.00 0.00 174.94 174.26 1oe3 n PRO 335 N 4.06 2.23 0.00 2.79 -0.02 -1.26 -5.34 135.00 137.45 1oe3 n PRO 335 Ca 0.16 0.79 0.03 0.00 -2.02 0.00 0.00 63.50 62.46 1oe3 n PRO 335 Cb 0.35 -2.43 0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1oe3 n PRO 335 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02