#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i50 s ILE 2 N 0.00 5.09 -0.14 5.09 2.07 -1.26 -5.04 121.20 127.01 3i50 s ILE 2 Ca 0.00 0.29 -0.16 0.00 -1.41 0.00 0.00 60.65 59.37 3i50 s ILE 2 Cb 0.00 -3.87 -0.04 0.00 0.13 0.00 0.00 42.46 38.68 3i50 s ILE 2 CO 0.00 -0.11 0.38 -0.69 -1.91 0.00 0.00 174.94 172.62 3i50 s VAL 3 N 2.21 5.25 -0.84 4.00 1.01 -1.26 -4.78 120.40 125.99 3i50 s VAL 3 Ca 0.16 0.75 -0.13 0.00 0.00 0.00 0.00 61.98 62.75 3i50 s VAL 3 Cb -0.16 -3.72 0.22 0.00 0.00 0.00 0.00 36.38 32.72 3i50 s VAL 3 CO 0.12 0.36 0.78 -0.76 0.00 0.00 0.00 175.10 175.60 3i50 s LEU 4 N 0.54 6.70 -0.27 3.92 1.43 -1.26 -1.95 118.68 127.78 3i50 s LEU 4 Ca 0.21 -2.75 -0.24 0.00 -1.03 0.00 0.00 54.13 50.31 3i50 s LEU 4 Cb -0.14 -2.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 3i50 s LEU 4 CO 0.07 -0.55 0.83 0.28 0.23 0.00 0.00 176.35 177.21 3i50 s THR 5 N 0.07 4.80 -0.10 5.49 -1.32 -0.25 -3.96 115.64 120.37 3i50 s THR 5 Ca 0.19 1.45 -0.19 0.00 -1.21 0.00 0.00 61.69 61.93 3i50 s THR 5 Cb -0.10 -4.14 -0.04 0.00 -1.51 0.00 0.00 72.50 66.70 3i50 s THR 5 CO -0.09 -0.16 0.51 -0.60 -2.21 0.00 0.00 174.62 172.07 3i50 s ARG 6 N 2.93 4.33 0.07 7.08 6.06 -1.26 -1.41 118.95 136.75 3i50 s ARG 6 Ca 0.35 0.51 -0.24 0.00 -2.50 0.00 0.00 55.73 53.85 3i50 s ARG 6 Cb -0.15 -3.42 -0.06 0.00 0.06 0.00 0.00 34.95 31.38 3i50 s ARG 6 CO 0.09 0.18 0.73 0.99 -2.50 0.00 0.00 175.30 174.80 3i50 s THR 7 N 0.53 4.68 0.00 4.11 2.01 0.53 -4.51 115.64 122.99 3i50 s THR 7 Ca 0.27 1.57 0.00 0.00 0.31 0.00 0.00 61.69 63.85 3i50 s THR 7 Cb -0.16 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.27 3i50 s THR 7 CO 0.12 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 3i50 n GLY 8 N 2.19 -0.13 0.28 4.40 0.00 -1.26 -2.90 105.19 107.76 3i50 n GLY 8 Ca -0.04 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 3i50 n GLY 8 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i50 h GLY 9 N 0.00 -0.49 -4.46 -0.02 0.00 -1.86 -3.42 103.07 92.82 3i50 h GLY 9 Ca 0.00 0.29 -0.22 0.00 0.00 0.00 0.00 47.33 47.40 3i50 h GLY 9 CO 0.00 -0.22 -0.71 -1.50 0.00 0.00 0.00 176.54 174.11 3i50 s ILE 10 N -6.07 0.38 -0.04 2.60 2.07 -1.26 -2.11 121.20 116.77 3i50 s ILE 10 Ca -0.16 -1.21 -0.30 0.00 -1.41 0.00 0.00 60.65 57.58 3i50 s ILE 10 Cb 0.07 -0.72 0.08 0.00 0.13 0.00 0.00 42.46 42.02 3i50 s ILE 10 CO 0.65 -0.55 0.73 0.00 -1.91 0.00 0.00 174.94 173.86 3i50 s MET 11 N -2.06 1.00 0.21 3.50 0.23 -0.84 -4.96 119.30 116.38 3i50 s MET 11 Ca -0.08 0.14 0.09 0.00 -1.03 0.00 0.00 55.69 54.81 3i50 s MET 11 Cb -0.06 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.67 3i50 s MET 11 CO -0.02 -0.33 -0.02 -1.12 -2.03 0.00 0.00 175.02 171.50 3i50 s SER 12 N -1.39 4.57 -0.16 -1.18 0.01 -1.26 -1.22 113.70 113.07 3i50 s SER 12 Ca -0.08 -0.53 -0.09 0.00 1.31 0.00 0.00 55.95 56.56 3i50 s SER 12 Cb -0.00 -0.88 0.06 0.00 0.21 0.00 0.00 66.02 65.40 3i50 s SER 12 CO 0.06 0.06 0.39 0.00 0.41 0.00 0.00 173.24 174.15 3i50 s ALA 13 N -1.94 -0.98 0.15 1.44 0.00 -0.55 -4.88 121.76 115.00 3i50 s ALA 13 Ca 0.28 1.42 -0.27 0.00 0.00 0.00 0.00 51.96 53.39 3i50 s ALA 13 Cb -0.08 -0.86 -0.07 0.00 0.00 0.00 0.00 23.12 22.10 3i50 s ALA 13 CO 0.18 -0.25 0.85 -1.12 0.00 0.00 0.00 175.76 175.43 3i50 s SER 14 N 1.26 7.44 0.48 0.00 0.01 -1.26 -1.90 113.70 119.73 3i50 s SER 14 Ca -0.09 1.71 -0.19 0.00 1.31 0.00 0.00 55.95 58.69 3i50 s SER 14 Cb -0.08 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.48 3i50 s SER 14 CO -0.11 0.10 0.15 -2.65 0.41 0.00 0.00 173.24 171.14 3i50 n PRO 15 N 2.05 0.18 0.00 12.44 -0.02 -1.26 -0.41 135.00 147.98 3i50 n PRO 15 Ca -0.02 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3i50 n PRO 15 Cb 0.49 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 3i50 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i50 n GLY 16 N 2.22 1.89 3.76 -1.23 0.00 -0.11 -4.85 105.19 106.87 3i50 n GLY 16 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3i50 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i50 s GLU 17 N 0.00 4.45 0.10 1.61 2.12 0.45 -4.28 118.70 123.15 3i50 s GLU 17 Ca 0.00 0.99 -0.30 0.00 0.36 0.00 0.00 54.97 56.02 3i50 s GLU 17 Cb 0.00 -3.33 -0.06 0.00 0.26 0.00 0.00 34.13 31.00 3i50 s GLU 17 CO 0.00 0.39 1.08 0.21 -0.54 0.00 0.00 175.26 176.39 3i50 s LYS 18 N -0.39 4.57 0.05 4.30 2.20 -1.20 0.08 119.74 129.34 3i50 s LYS 18 Ca 0.36 1.63 0.07 0.00 -0.36 0.00 0.00 55.97 57.66 3i50 s LYS 18 Cb -0.20 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 3i50 s LYS 18 CO 0.22 -0.00 -0.19 0.08 -0.36 0.00 0.00 175.35 175.10 3i50 s VAL 19 N 0.35 1.55 -0.16 4.02 1.01 -0.49 -4.96 120.40 121.73 3i50 s VAL 19 Ca 0.52 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 3i50 s VAL 19 Cb -0.27 -1.37 0.08 0.00 0.00 0.00 0.00 36.38 34.82 3i50 s VAL 19 CO 0.31 0.13 0.32 -0.89 0.00 0.00 0.00 175.10 174.97 3i50 s THR 20 N -0.86 -0.50 0.15 3.92 2.01 -1.26 -1.07 115.64 118.03 3i50 s THR 20 Ca 0.06 0.23 0.06 0.00 0.31 0.00 0.00 61.69 62.35 3i50 s THR 20 Cb -0.09 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 3i50 s THR 20 CO 0.02 0.09 0.05 0.00 -0.69 0.00 0.00 174.62 174.09 3i50 s MET 21 N 2.49 2.64 0.05 4.92 0.23 -0.84 -5.01 119.30 123.78 3i50 s MET 21 Ca 0.01 -0.94 0.09 0.00 -1.03 0.00 0.00 55.69 53.82 3i50 s MET 21 Cb -0.12 -2.52 -0.03 0.00 -1.53 0.00 0.00 34.83 30.62 3i50 s MET 21 CO -0.10 0.49 -0.24 0.99 -2.03 0.00 0.00 175.02 174.13 3i50 s THR 22 N -1.62 2.33 -0.32 3.16 2.01 -1.14 -2.54 115.64 117.52 3i50 s THR 22 Ca 0.28 -1.35 0.04 0.00 0.31 0.00 0.00 61.69 60.97 3i50 s THR 22 Cb -0.10 -1.93 0.09 0.00 0.01 0.00 0.00 72.50 70.57 3i50 s THR 22 CO 0.20 0.35 0.02 0.00 -0.69 0.00 0.00 174.62 174.50 3i50 s SER 24 N 0.97 6.62 -0.08 0.00 0.15 -0.50 -2.76 113.70 118.10 3i50 s SER 24 Ca 0.07 0.74 0.04 0.00 0.70 0.00 0.00 55.95 57.49 3i50 s SER 24 Cb -0.19 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 61.87 3i50 s SER 24 CO -0.08 0.14 -0.19 0.00 1.20 0.00 0.00 173.24 174.32 3i50 s ALA 25 N 0.02 2.42 -0.00 5.45 0.00 -0.92 -1.09 121.76 127.64 3i50 s ALA 25 Ca 0.22 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 3i50 s ALA 25 Cb -0.15 -0.91 -0.09 0.00 0.00 0.00 0.00 23.12 21.97 3i50 s ALA 25 CO 0.09 0.40 2.56 -1.13 0.00 0.00 0.00 175.76 177.67 3i50 n SER 26 N 2.99 5.32 0.00 0.00 3.41 -0.82 -4.75 113.62 119.75 3i50 n SER 26 Ca -0.18 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 3i50 n SER 26 Cb 0.52 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 3i50 n SER 26 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i50 n SER 27 N 1.84 0.00 -4.40 4.04 2.88 -1.26 -4.69 113.62 112.03 3i50 n SER 27 Ca 0.15 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.36 3i50 n SER 27 Cb 0.64 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.22 3i50 n SER 27 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i50 n SER 29 N 0.00 -2.17 -3.60 -3.46 7.64 -1.26 -4.68 113.62 106.08 3i50 n SER 29 Ca 0.00 0.34 -0.14 0.00 1.01 0.00 0.00 58.87 60.08 3i50 n SER 29 Cb 0.00 -1.19 -0.06 0.00 -1.01 0.00 0.00 64.21 61.95 3i50 n SER 29 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i50 s VAL 30 N -2.35 0.03 -0.06 0.44 1.01 -0.89 -4.95 120.40 113.64 3i50 s VAL 30 Ca 0.57 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 3i50 s VAL 30 Cb -0.22 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 3i50 s VAL 30 CO 0.67 -0.15 -0.05 0.28 0.00 0.00 0.00 175.10 175.85 3i50 h SER 31 N 2.99 0.00 -3.15 3.32 0.02 -1.92 -3.35 113.55 111.47 3i50 h SER 31 Ca -0.30 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.19 3i50 h SER 31 Cb 1.20 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.59 3i50 h SER 31 CO 0.41 0.30 -0.69 -0.31 -1.14 0.00 0.00 176.83 175.40 3i50 s TYR 32 N -1.46 1.81 -0.02 3.45 2.02 -1.26 -4.79 117.35 117.10 3i50 s TYR 32 Ca -0.04 -0.68 0.01 0.00 -0.37 0.00 0.00 57.07 55.98 3i50 s TYR 32 Cb 0.01 -0.97 0.01 0.00 -0.40 0.00 0.00 41.96 40.60 3i50 s TYR 32 CO 0.07 0.26 -0.03 1.41 -1.57 0.00 0.00 175.55 175.69 3i50 s MET 33 N -3.72 0.44 0.22 -0.62 -2.45 -1.26 -3.83 119.30 108.07 3i50 s MET 33 Ca 0.27 -0.09 0.07 0.00 -1.25 0.00 0.00 55.69 54.69 3i50 s MET 33 Cb 0.02 -0.48 -0.04 0.00 1.25 0.00 0.00 34.83 35.59 3i50 s MET 33 CO 0.10 0.01 0.09 -1.01 1.05 0.00 0.00 175.02 175.25 3i50 s HIS 34 N 0.37 2.96 -0.02 4.11 0.09 0.37 -0.01 115.29 123.15 3i50 s HIS 34 Ca -0.04 -0.12 0.03 0.00 -0.00 0.00 0.00 55.06 54.93 3i50 s HIS 34 Cb -0.07 -1.37 -0.00 0.00 -0.00 0.00 0.00 32.58 31.13 3i50 s HIS 34 CO -0.00 0.54 -0.11 -1.58 -0.00 0.00 0.00 174.74 173.59 3i50 s TRP 35 N -1.99 1.08 0.11 1.40 0.52 0.56 -0.17 118.94 120.46 3i50 s TRP 35 Ca 0.31 -0.25 0.11 0.00 0.02 0.00 0.00 56.10 56.29 3i50 s TRP 35 Cb -0.08 -0.73 -0.04 0.00 -1.15 0.00 0.00 33.47 31.47 3i50 s TRP 35 CO 0.22 -0.07 -0.27 0.71 0.02 0.00 0.00 176.95 177.56 3i50 s TYR 36 N -0.05 2.29 -0.14 -1.98 2.02 0.80 -0.74 117.35 119.55 3i50 s TYR 36 Ca 0.00 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 3i50 s TYR 36 Cb -0.07 -1.27 -0.00 0.00 -0.40 0.00 0.00 41.96 40.22 3i50 s TYR 36 CO 0.00 0.29 -0.16 -1.14 -1.57 0.00 0.00 175.55 172.97 3i50 s GLN 37 N -1.87 3.22 -0.17 -0.62 0.74 -0.28 -0.99 119.66 119.68 3i50 s GLN 37 Ca 0.13 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 54.79 3i50 s GLN 37 Cb -0.10 -2.57 0.03 0.00 1.10 0.00 0.00 33.01 31.47 3i50 s GLN 37 CO 0.05 0.07 -0.13 -1.14 -0.55 0.00 0.00 175.29 173.59 3i50 s GLN 38 N 0.67 2.25 -0.03 1.67 0.74 -0.17 -1.38 119.66 123.41 3i50 s GLN 38 Ca -0.08 -0.70 -0.18 0.00 0.05 0.00 0.00 55.36 54.45 3i50 s GLN 38 Cb -0.16 -2.27 -0.05 0.00 1.10 0.00 0.00 33.01 31.63 3i50 s GLN 38 CO 0.02 -0.31 0.51 0.15 -0.55 0.00 0.00 175.29 175.11 3i50 s LYS 39 N 1.43 4.22 -0.32 1.67 1.02 -1.26 -1.53 119.74 124.96 3i50 s LYS 39 Ca 0.02 0.56 -0.30 0.00 0.02 0.00 0.00 55.97 56.28 3i50 s LYS 39 Cb -0.14 -3.34 -0.13 0.00 -0.52 0.00 0.00 37.83 33.70 3i50 s LYS 39 CO -0.10 0.40 1.11 0.45 -0.92 0.00 0.00 175.35 176.29 3i50 n SER 40 N 2.73 0.73 0.00 2.83 2.88 -1.26 -0.10 113.62 121.42 3i50 n SER 40 Ca -0.09 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 3i50 n SER 40 Cb 0.51 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 3i50 n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i50 n GLY 41 N 3.03 2.75 3.72 0.46 0.00 -1.26 -5.03 105.19 108.86 3i50 n GLY 41 Ca 0.23 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 3i50 n GLY 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i50 n THR 42 N 0.00 4.31 -2.83 2.61 -1.04 0.85 -5.00 114.28 113.18 3i50 n THR 42 Ca 0.00 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.05 61.22 3i50 n THR 42 Cb 0.00 -1.42 -0.07 0.00 -1.82 0.00 0.00 70.33 67.02 3i50 n THR 42 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3i50 s SER 43 N -1.53 7.11 1.00 8.00 1.04 -1.26 -4.50 113.70 123.56 3i50 s SER 43 Ca 0.81 1.72 -0.25 0.00 0.48 0.00 0.00 55.95 58.70 3i50 s SER 43 Cb -0.36 -2.54 -0.18 0.00 0.10 0.00 0.00 66.02 63.04 3i50 s SER 43 CO 0.43 -0.21 -1.35 -2.65 0.98 0.00 0.00 173.24 170.44 3i50 n PRO 44 N -0.05 -0.05 -3.81 4.02 -0.02 -1.26 -4.82 135.00 129.00 3i50 n PRO 44 Ca 0.04 -0.01 -0.12 0.00 -2.02 0.00 0.00 63.50 61.38 3i50 n PRO 44 Cb 0.52 -1.03 -0.13 0.00 -0.02 0.00 0.00 33.50 32.85 3i50 n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3i50 s LYS 45 N -2.06 0.18 0.30 -0.52 2.20 -0.48 -4.95 119.74 114.41 3i50 s LYS 45 Ca 0.38 0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.92 3i50 s LYS 45 Cb 0.04 0.08 -0.10 0.00 -1.51 0.00 0.00 37.83 36.34 3i50 s LYS 45 CO 0.69 -0.03 1.14 -1.50 -0.36 0.00 0.00 175.35 175.30 3i50 s ILE 46 N 0.13 3.32 0.00 5.43 -1.16 -1.26 -1.13 121.20 126.53 3i50 s ILE 46 Ca -0.00 1.31 0.00 0.00 -0.51 0.00 0.00 60.65 61.45 3i50 s ILE 46 Cb -0.02 -3.83 0.00 0.00 0.61 0.00 0.00 42.46 39.23 3i50 s ILE 46 CO -0.00 0.30 0.00 0.79 -2.81 0.00 0.00 174.94 173.22 3i50 n TRP 47 N 1.02 0.00 -4.34 3.50 7.02 0.08 -4.73 117.44 120.00 3i50 n TRP 47 Ca -0.00 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.22 3i50 n TRP 47 Cb 0.44 0.33 -0.17 0.00 -2.42 0.00 0.00 31.31 29.50 3i50 n TRP 47 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3i50 s ILE 48 N -1.87 1.13 0.02 -0.99 1.01 -0.25 0.22 121.20 120.47 3i50 s ILE 48 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.27 3i50 s ILE 48 Cb 0.00 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 3i50 s ILE 48 CO 0.00 0.37 -0.13 -0.72 0.00 0.00 0.00 174.94 174.45 3i50 s TYR 49 N 1.04 1.17 -1.22 3.97 -0.85 -0.05 0.21 117.35 121.62 3i50 s TYR 49 Ca -0.07 -0.30 -0.01 0.00 -0.52 0.00 0.00 57.07 56.17 3i50 s TYR 49 Cb -0.15 -0.72 -0.01 0.00 0.38 0.00 0.00 41.96 41.47 3i50 s TYR 49 CO -0.01 0.01 0.87 0.39 -1.52 0.00 0.00 175.55 175.29 3i50 n GLU 50 N 2.26 -5.41 0.00 -3.49 1.02 -1.24 -1.89 120.64 111.89 3i50 n GLU 50 Ca -0.16 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 3i50 n GLU 50 Cb 0.55 -5.55 0.00 0.00 -0.02 0.00 0.00 31.44 26.42 3i50 n GLU 50 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i50 n SER 51 N -3.10 0.00 0.00 1.62 7.64 0.98 -3.89 113.62 116.87 3i50 n SER 51 Ca -0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.61 3i50 n SER 51 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 3i50 n SER 51 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i50 n SER 52 N 2.18 0.00 -4.66 6.43 3.41 -1.23 -4.17 113.62 115.59 3i50 n SER 52 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 3i50 n SER 52 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3i50 n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i50 s LYS 53 N 0.00 4.19 0.07 4.33 1.02 -0.79 -4.54 119.74 124.02 3i50 s LYS 53 Ca 0.00 1.67 -0.30 0.00 0.02 0.00 0.00 55.97 57.35 3i50 s LYS 53 Cb 0.00 -3.80 -0.06 0.00 -0.52 0.00 0.00 37.83 33.45 3i50 s LYS 53 CO 0.00 -0.77 1.16 -0.51 -0.92 0.00 0.00 175.35 174.31 3i50 s LEU 54 N 3.66 4.39 1.22 3.17 1.02 -1.26 -0.87 118.68 130.01 3i50 s LEU 54 Ca 0.57 1.99 -0.18 0.00 0.02 0.00 0.00 54.13 56.53 3i50 s LEU 54 Cb -0.22 -3.58 0.25 0.00 0.02 0.00 0.00 46.19 42.66 3i50 s LEU 54 CO 0.17 -0.41 0.58 0.00 0.02 0.00 0.00 176.35 176.71 3i50 n ALA 55 N 3.69 -3.52 -1.95 4.21 0.00 0.13 -4.94 120.51 118.14 3i50 n ALA 55 Ca 0.08 -1.42 -0.33 0.00 0.00 0.00 0.00 53.44 51.77 3i50 n ALA 55 Cb 0.47 -1.55 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 3i50 n ALA 55 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i50 s SER 56 N -2.35 6.84 0.00 0.00 1.04 -1.26 -3.44 113.70 114.53 3i50 s SER 56 Ca 0.59 1.51 0.00 0.00 0.48 0.00 0.00 55.95 58.53 3i50 s SER 56 Cb -0.15 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.50 3i50 s SER 56 CO 0.57 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.08 3i50 n GLY 57 N -0.65 2.68 3.73 7.32 0.00 -1.26 -4.98 105.19 112.02 3i50 n GLY 57 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3i50 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i50 n VAL 58 N -0.49 0.45 -2.24 1.61 0.31 -1.22 -4.95 118.33 111.79 3i50 n VAL 58 Ca 0.00 -0.11 -0.39 0.00 -0.01 0.00 0.00 64.34 63.83 3i50 n VAL 58 Cb 0.00 -1.96 -0.02 0.00 -0.91 0.00 0.00 33.84 30.95 3i50 n VAL 58 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3i50 s PRO 59 N 0.43 4.18 0.00 5.55 0.02 -1.26 -4.89 135.00 139.03 3i50 s PRO 59 Ca 0.70 1.97 0.10 0.00 0.02 0.00 0.00 61.00 63.80 3i50 s PRO 59 Cb -0.51 -2.85 0.47 0.00 0.02 0.00 0.00 34.50 31.64 3i50 s PRO 59 CO 0.40 -0.25 1.30 1.55 -0.33 0.00 0.00 177.00 179.67 3i50 n VAL 60 N 0.39 1.13 -0.23 3.83 3.14 -1.26 -2.18 118.33 123.16 3i50 n VAL 60 Ca 0.03 0.28 -0.06 0.00 -2.96 0.00 0.00 64.34 61.63 3i50 n VAL 60 Cb 0.45 -1.11 0.04 0.00 -1.06 0.00 0.00 33.84 32.16 3i50 n VAL 60 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 3i50 h ARG 61 N 0.00 0.86 -7.06 1.45 3.08 -1.95 -3.43 114.38 107.33 3i50 h ARG 61 Ca 0.00 -0.08 -0.51 0.00 0.07 0.00 0.00 59.98 59.46 3i50 h ARG 61 Cb 0.16 -0.18 0.09 0.00 0.08 0.00 0.00 29.97 30.11 3i50 h ARG 61 CO 0.00 0.61 0.47 -0.06 -1.07 0.00 0.00 179.97 179.92 3i50 s PHE 62 N -6.00 2.61 0.02 3.04 0.08 -0.93 -1.50 117.98 115.31 3i50 s PHE 62 Ca -0.13 1.52 -0.24 0.00 0.12 0.00 0.00 56.93 58.20 3i50 s PHE 62 Cb 0.13 -3.41 0.06 0.00 -0.57 0.00 0.00 43.02 39.23 3i50 s PHE 62 CO 0.77 -1.85 0.55 -1.54 -0.10 0.00 0.00 175.22 173.05 3i50 s SER 63 N -1.54 -0.49 -0.04 1.36 1.04 0.33 -4.94 113.70 109.43 3i50 s SER 63 Ca 0.72 0.31 0.03 0.00 0.48 0.00 0.00 55.95 57.48 3i50 s SER 63 Cb -0.28 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3i50 s SER 63 CO 0.32 -0.68 -0.12 -0.83 0.98 0.00 0.00 173.24 172.91 3i50 s GLY 64 N -1.76 0.71 0.42 7.32 0.00 -1.26 0.37 107.32 113.12 3i50 s GLY 64 Ca -0.07 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 44.26 3i50 s GLY 64 CO 0.01 -0.11 0.14 -0.56 0.00 0.00 0.00 173.10 172.58 3i50 s SER 65 N 0.28 4.27 0.00 1.64 0.01 -0.14 -4.19 113.70 115.57 3i50 s SER 65 Ca -0.06 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.00 3i50 s SER 65 Cb -0.11 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.77 3i50 s SER 65 CO 0.02 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.71 3i50 n GLY 66 N -1.20 4.22 3.63 3.44 0.00 -1.26 -0.84 105.19 113.19 3i50 n GLY 66 Ca -0.03 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 3i50 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i50 s SER 67 N 0.00 -0.81 0.81 1.61 0.15 0.45 -4.93 113.70 110.97 3i50 s SER 67 Ca 0.00 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.12 3i50 s SER 67 Cb 0.00 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.75 3i50 s SER 67 CO 0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80 3i50 n GLY 68 N 3.22 1.25 0.00 9.45 0.00 -1.26 -2.64 105.19 115.21 3i50 n GLY 68 Ca -0.16 0.23 0.04 0.00 0.00 0.00 0.00 46.02 46.13 3i50 n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i50 n THR 69 N 0.00 0.00 -4.13 2.61 5.66 -1.26 -2.09 114.28 115.07 3i50 n THR 69 Ca 0.00 -0.27 -0.35 0.00 -3.05 0.00 0.00 64.05 60.38 3i50 n THR 69 Cb 0.00 0.77 -0.13 0.00 -1.55 0.00 0.00 70.33 69.42 3i50 n THR 69 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3i50 s SER 70 N -2.11 4.52 0.04 1.09 0.01 -1.08 -2.17 113.70 113.99 3i50 s SER 70 Ca 0.01 -0.28 -0.02 0.00 1.31 0.00 0.00 55.95 56.96 3i50 s SER 70 Cb 0.05 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.50 3i50 s SER 70 CO 0.32 0.05 0.02 -0.31 0.41 0.00 0.00 173.24 173.72 3i50 s TYR 71 N 1.05 0.35 0.02 2.43 1.51 -1.11 -0.41 117.35 121.19 3i50 s TYR 71 Ca 0.01 -0.76 -0.23 0.00 -1.01 0.00 0.00 57.07 55.08 3i50 s TYR 71 Cb -0.15 -0.26 0.05 0.00 -0.11 0.00 0.00 41.96 41.50 3i50 s TYR 71 CO 0.00 -0.34 0.53 -1.54 -1.11 0.00 0.00 175.55 173.10 3i50 s SER 72 N -2.34 -0.46 0.20 2.29 1.04 -0.02 -0.71 113.70 113.70 3i50 s SER 72 Ca -0.02 0.26 0.10 0.00 0.48 0.00 0.00 55.95 56.77 3i50 s SER 72 Cb 0.01 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 3i50 s SER 72 CO -0.06 -0.68 -0.17 -1.48 0.98 0.00 0.00 173.24 171.83 3i50 s LEU 73 N -1.78 2.70 -0.02 2.42 0.05 -1.05 -0.97 118.68 120.03 3i50 s LEU 73 Ca -0.07 -0.75 0.00 0.00 0.05 0.00 0.00 54.13 53.36 3i50 s LEU 73 Cb -0.01 -1.39 0.03 0.00 -2.05 0.00 0.00 46.19 42.77 3i50 s LEU 73 CO 0.01 0.10 0.02 -0.89 -0.55 0.00 0.00 176.35 175.04 3i50 s THR 74 N -1.76 0.04 -0.13 5.48 2.01 0.16 -1.98 115.64 119.45 3i50 s THR 74 Ca 0.23 0.15 -0.21 0.00 0.31 0.00 0.00 61.69 62.18 3i50 s THR 74 Cb -0.08 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 3i50 s THR 74 CO 0.13 0.11 0.62 -0.63 -0.69 0.00 0.00 174.62 174.15 3i50 s ILE 75 N 1.00 5.07 0.04 1.82 1.01 -0.23 -0.51 121.20 129.40 3i50 s ILE 75 Ca -0.09 1.22 -0.31 0.00 0.00 0.00 0.00 60.65 61.46 3i50 s ILE 75 Cb -0.13 -3.95 -0.17 0.00 0.01 0.00 0.00 42.46 38.22 3i50 s ILE 75 CO -0.02 0.21 1.40 -1.28 0.00 0.00 0.00 174.94 175.25 3i50 h SER 76 N 7.05 -0.96 -3.40 3.58 0.87 -1.56 -1.30 113.55 117.83 3i50 h SER 76 Ca -0.37 0.03 -0.61 0.00 -1.23 0.00 0.00 61.79 59.61 3i50 h SER 76 Cb 1.17 0.25 -0.40 0.00 -0.44 0.00 0.00 62.40 62.98 3i50 h SER 76 CO 0.76 -0.66 -0.74 -0.94 -0.53 0.00 0.00 176.83 174.73 3i50 s SER 77 N -3.88 4.17 0.21 6.23 1.04 -1.26 -3.28 113.70 116.93 3i50 s SER 77 Ca -0.17 -2.00 -0.21 0.00 0.48 0.00 0.00 55.95 54.06 3i50 s SER 77 Cb 0.02 -1.12 -0.13 0.00 0.10 0.00 0.00 66.02 64.88 3i50 s SER 77 CO 0.50 -0.37 0.31 0.80 0.98 0.00 0.00 173.24 175.45 3i50 n MET 78 N 4.40 0.00 -3.67 4.02 1.56 0.11 -4.36 117.12 119.18 3i50 n MET 78 Ca 0.02 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.33 3i50 n MET 78 Cb 0.40 -0.81 -0.06 0.00 2.15 0.00 0.00 33.22 34.91 3i50 n MET 78 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 3i50 s GLU 79 N -0.81 0.96 0.29 2.12 2.02 -1.26 -0.94 118.70 121.09 3i50 s GLU 79 Ca 0.50 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 55.00 3i50 s GLU 79 Cb -0.68 0.42 0.62 0.00 0.10 0.00 0.00 34.13 34.59 3i50 s GLU 79 CO 0.47 -0.34 1.83 0.00 0.02 0.00 0.00 175.26 177.23 3i50 h ALA 80 N 2.79 1.58 0.00 5.21 0.00 -1.97 0.32 119.26 127.19 3i50 h ALA 80 Ca -0.32 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i50 h ALA 80 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3i50 h ALA 80 CO 0.45 0.15 0.00 -0.85 0.00 0.00 0.00 179.25 179.00 3i50 n GLU 81 N -4.64 0.05 0.00 0.00 0.28 -1.26 -1.99 120.64 113.08 3i50 n GLU 81 Ca 0.20 0.21 0.15 0.00 -0.16 0.00 0.00 57.16 57.55 3i50 n GLU 81 Cb 0.41 -1.50 0.68 0.00 1.43 0.00 0.00 31.44 32.46 3i50 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3i50 n ASP 82 N -1.45 0.92 -4.61 -1.84 9.92 0.11 -4.84 116.55 114.76 3i50 n ASP 82 Ca 0.05 -1.29 -0.43 0.00 -0.53 0.00 0.00 54.79 52.58 3i50 n ASP 82 Cb 0.17 -0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.62 3i50 n ASP 82 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3i50 s VAL 83 N -2.01 3.73 -0.15 2.53 1.01 -0.84 -4.89 120.40 119.78 3i50 s VAL 83 Ca 0.41 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.18 3i50 s VAL 83 Cb 0.21 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3i50 s VAL 83 CO 0.35 -0.45 0.00 0.00 0.00 0.00 0.00 175.10 175.00 3i50 n ALA 84 N 8.93 0.00 -2.75 5.51 0.00 -1.08 -4.81 120.51 126.31 3i50 n ALA 84 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 3i50 n ALA 84 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 3i50 n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i50 s THR 85 N -2.46 5.31 -0.13 0.00 2.01 -0.58 -0.40 115.64 119.38 3i50 s THR 85 Ca 0.00 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.27 3i50 s THR 85 Cb 0.00 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.98 3i50 s THR 85 CO 0.00 0.45 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.94 3i50 s TYR 86 N -1.21 2.03 0.03 4.92 2.02 -0.47 -1.00 117.35 123.68 3i50 s TYR 86 Ca 0.24 -1.08 0.03 0.00 -0.37 0.00 0.00 57.07 55.89 3i50 s TYR 86 Cb -0.13 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 3i50 s TYR 86 CO 0.13 -0.60 -0.03 0.71 -1.57 0.00 0.00 175.55 174.19 3i50 s TYR 87 N 1.39 2.97 -0.09 2.71 2.02 -0.16 -1.63 117.35 124.55 3i50 s TYR 87 Ca 0.02 -0.00 -0.01 0.00 -0.37 0.00 0.00 57.07 56.71 3i50 s TYR 87 Cb -0.13 -1.60 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 3i50 s TYR 87 CO -0.08 0.44 -0.04 0.00 -1.57 0.00 0.00 175.55 174.30 3i50 s GLN 89 N -0.67 2.14 0.16 0.00 0.74 0.77 -1.04 119.66 121.76 3i50 s GLN 89 Ca 0.10 -0.91 0.05 0.00 0.05 0.00 0.00 55.36 54.65 3i50 s GLN 89 Cb -0.12 -2.11 -0.04 0.00 1.10 0.00 0.00 33.01 31.84 3i50 s GLN 89 CO 0.02 0.56 0.10 1.14 -0.55 0.00 0.00 175.29 176.56 3i50 s GLN 90 N -0.81 2.78 0.00 1.67 1.03 -0.60 -0.48 119.66 123.26 3i50 s GLN 90 Ca 0.11 -0.91 0.00 0.00 0.04 0.00 0.00 55.36 54.60 3i50 s GLN 90 Cb -0.10 -2.59 0.00 0.00 0.03 0.00 0.00 33.01 30.35 3i50 s GLN 90 CO 0.00 0.48 0.00 1.87 -2.54 0.00 0.00 175.29 175.11 3i50 n TRP 91 N -0.24 0.00 0.14 9.60 -0.00 -1.25 -3.75 117.44 121.95 3i50 n TRP 91 Ca -0.09 0.00 0.19 0.00 -0.00 0.00 0.00 57.50 57.61 3i50 n TRP 91 Cb 0.55 0.00 0.74 0.00 -0.00 0.00 0.00 31.31 32.59 3i50 n TRP 91 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.69 178.46 3i50 h SER 92 N 0.00 0.00 -4.37 5.87 0.02 -1.95 -3.43 113.55 109.70 3i50 h SER 92 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 3i50 h SER 92 Cb 0.63 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.03 3i50 h SER 92 CO 0.00 0.00 -0.56 -0.44 -1.14 0.00 0.00 176.83 174.69 3i50 s SER 93 N -4.96 1.74 -0.06 3.07 0.01 -1.26 -4.93 113.70 107.31 3i50 s SER 93 Ca -0.04 -1.54 0.05 0.00 1.31 0.00 0.00 55.95 55.74 3i50 s SER 93 Cb 0.14 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.69 3i50 s SER 93 CO 0.47 -0.85 -0.22 -2.28 0.41 0.00 0.00 173.24 170.77 3i50 s HIS 94 N -3.54 2.17 1.08 2.43 2.46 -1.26 -4.06 115.29 114.57 3i50 s HIS 94 Ca 0.34 -0.67 -0.18 0.00 0.47 0.00 0.00 55.06 55.03 3i50 s HIS 94 Cb 0.05 -1.44 0.25 0.00 -0.13 0.00 0.00 32.58 31.31 3i50 s HIS 94 CO 0.16 -0.22 1.24 -2.14 -2.47 0.00 0.00 174.74 171.32 3i50 s PRO 95 N -0.03 -0.30 0.24 2.88 0.02 -1.26 -4.82 135.00 131.73 3i50 s PRO 95 Ca -0.05 -0.32 -0.30 0.00 0.02 0.00 0.00 61.00 60.36 3i50 s PRO 95 Cb -0.13 -1.73 -0.09 0.00 0.02 0.00 0.00 34.50 32.57 3i50 s PRO 95 CO 0.04 -3.06 1.09 -0.51 -0.33 0.00 0.00 177.00 174.22 3i50 s LEU 96 N -6.38 4.54 0.02 -5.54 1.43 -1.26 -4.83 118.68 106.66 3i50 s LEU 96 Ca 0.74 2.18 0.07 0.00 -1.03 0.00 0.00 54.13 56.08 3i50 s LEU 96 Cb -0.06 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 3i50 s LEU 96 CO 0.54 -0.14 -0.21 -0.89 0.23 0.00 0.00 176.35 175.88 3i50 s THR 97 N -0.82 1.65 0.29 5.49 2.01 -1.25 -5.00 115.64 118.01 3i50 s THR 97 Ca 0.46 -1.05 0.09 0.00 0.31 0.00 0.00 61.69 61.50 3i50 s THR 97 Cb -0.31 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 3i50 s THR 97 CO 0.38 0.32 0.08 -0.36 -0.69 0.00 0.00 174.62 174.36 3i50 s PHE 98 N -0.65 2.76 0.76 4.92 0.08 -1.26 -1.55 117.98 123.03 3i50 s PHE 98 Ca 0.08 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.84 3i50 s PHE 98 Cb -0.08 -1.40 0.15 0.00 -0.57 0.00 0.00 43.02 41.11 3i50 s PHE 98 CO 0.01 0.49 1.04 0.20 -0.10 0.00 0.00 175.22 176.86 3i50 s GLY 99 N -3.77 1.75 0.19 4.36 0.00 -0.20 -4.32 107.32 105.33 3i50 s GLY 99 Ca 0.34 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 43.29 3i50 s GLY 99 CO 0.22 -1.16 1.45 0.00 0.00 0.00 0.00 173.10 173.61 3i50 h ALA 100 N -0.67 0.64 0.00 3.20 0.00 -1.92 -3.44 119.26 117.07 3i50 h ALA 100 Ca -0.36 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3i50 h ALA 100 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3i50 h ALA 100 CO 0.38 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.84 3i50 n GLY 101 N 0.57 2.88 3.25 0.00 0.00 -1.26 -4.99 105.19 105.64 3i50 n GLY 101 Ca -0.04 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 3i50 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i50 s THR 102 N -1.71 3.18 -0.04 2.61 2.01 -0.65 -4.77 115.64 116.27 3i50 s THR 102 Ca 0.00 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 3i50 s THR 102 Cb 0.00 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 3i50 s THR 102 CO 0.00 0.25 1.12 -0.54 -0.69 0.00 0.00 174.62 174.76 3i50 s LYS 103 N 1.40 4.41 -0.23 4.92 -0.14 -0.89 -1.37 119.74 127.84 3i50 s LYS 103 Ca 0.02 1.58 -0.02 0.00 -1.36 0.00 0.00 55.97 56.19 3i50 s LYS 103 Cb -0.16 -3.50 0.01 0.00 -1.68 0.00 0.00 37.83 32.50 3i50 s LYS 103 CO -0.03 -0.32 -0.06 -1.17 -0.76 0.00 0.00 175.35 173.00 3i50 s LEU 104 N 1.78 2.98 -0.04 3.17 2.96 0.47 -1.99 118.68 128.02 3i50 s LEU 104 Ca 0.54 -0.65 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 3i50 s LEU 104 Cb -0.23 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3i50 s LEU 104 CO 0.23 -0.07 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.47 3i50 s GLU 105 N 1.39 2.55 -0.26 1.98 2.02 -0.36 -2.63 118.70 123.39 3i50 s GLU 105 Ca 0.03 -0.68 -0.29 0.00 0.02 0.00 0.00 54.97 54.05 3i50 s GLU 105 Cb -0.15 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.63 3i50 s GLU 105 CO -0.05 0.62 1.18 -1.17 0.02 0.00 0.00 175.26 175.86 3i50 s LEU 106 N -0.96 4.01 -1.03 1.80 2.96 -1.26 -1.48 118.68 122.71 3i50 s LEU 106 Ca 0.13 1.30 -0.21 0.00 -0.22 0.00 0.00 54.13 55.13 3i50 s LEU 106 Cb -0.11 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.11 3i50 s LEU 106 CO 0.03 -0.87 1.41 -0.75 -1.32 0.00 0.00 176.35 174.84 3i50 s LYS 107 N 3.68 3.64 0.00 1.98 2.20 -0.80 -4.85 119.74 125.59 3i50 s LYS 107 Ca 0.50 -1.37 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 3i50 s LYS 107 Cb -0.16 -5.27 0.00 0.00 -1.51 0.00 0.00 37.83 30.89 3i50 s LYS 107 CO 0.16 -2.11 0.00 2.89 -0.36 0.00 0.00 175.35 175.93 3i50 n ARG 108 N 8.27 3.01 -2.38 4.03 1.85 -1.26 -4.36 116.66 125.82 3i50 n ARG 108 Ca 0.33 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.92 3i50 n ARG 108 Cb 0.50 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 31.96 3i50 n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i50 s ALA 109 N -2.70 3.36 1.09 2.89 0.00 -1.26 -5.02 121.76 120.12 3i50 s ALA 109 Ca 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 3i50 s ALA 109 Cb 0.00 -2.50 0.25 0.00 0.00 0.00 0.00 23.12 20.88 3i50 s ALA 109 CO 0.00 -0.99 1.22 -0.51 0.00 0.00 0.00 175.76 175.48 3i50 s ASP 110 N -4.41 1.91 -0.16 0.00 1.01 -1.26 -4.69 116.67 109.06 3i50 s ASP 110 Ca 0.57 0.41 -0.29 0.00 0.71 0.00 0.00 52.55 53.95 3i50 s ASP 110 Cb -0.11 -0.51 0.10 0.00 1.01 0.00 0.00 42.92 43.41 3i50 s ASP 110 CO 0.43 -3.49 0.86 0.00 0.21 0.00 0.00 175.17 173.19 3i50 s ALA 111 N -3.47 -1.87 -0.15 5.23 0.00 -1.00 -4.75 121.76 115.76 3i50 s ALA 111 Ca 0.73 1.62 -0.29 0.00 0.00 0.00 0.00 51.96 54.01 3i50 s ALA 111 Cb -0.06 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 3i50 s ALA 111 CO 0.55 -0.32 1.19 0.00 0.00 0.00 0.00 175.76 177.18 3i50 s ALA 112 N -0.68 3.62 -0.59 0.00 0.00 -1.26 -3.56 121.76 119.28 3i50 s ALA 112 Ca -0.04 0.44 -0.27 0.00 0.00 0.00 0.00 51.96 52.10 3i50 s ALA 112 Cb -0.02 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 3i50 s ALA 112 CO 0.03 -1.03 2.47 -0.35 0.00 0.00 0.00 175.76 176.87 3i50 n PRO 113 N 6.15 0.83 -2.06 0.00 -0.04 -1.26 -4.62 135.00 134.01 3i50 n PRO 113 Ca 0.13 -0.04 -0.27 0.00 -0.04 0.00 0.00 63.50 63.27 3i50 n PRO 113 Cb 0.46 -3.11 -0.05 0.00 -0.04 0.00 0.00 33.50 30.75 3i50 n PRO 113 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i50 s THR 114 N 11.74 3.49 0.33 0.52 2.01 -1.24 -4.87 115.64 127.62 3i50 s THR 114 Ca 1.05 -0.58 -0.27 0.00 0.31 0.00 0.00 61.69 62.19 3i50 s THR 114 Cb -0.36 -4.22 -0.09 0.00 0.01 0.00 0.00 72.50 67.84 3i50 s THR 114 CO 0.29 -0.97 1.10 -0.69 -0.69 0.00 0.00 174.62 173.67 3i50 s VAL 115 N 10.41 3.48 0.27 3.82 1.01 -1.26 -3.21 120.40 134.91 3i50 s VAL 115 Ca 0.69 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 64.01 3i50 s VAL 115 Cb -0.04 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3i50 s VAL 115 CO 0.04 0.21 0.29 -0.44 0.00 0.00 0.00 175.10 175.20 3i50 s SER 116 N -1.10 0.64 0.15 3.32 0.01 0.10 -4.96 113.70 111.85 3i50 s SER 116 Ca 0.50 -1.43 -0.16 0.00 1.31 0.00 0.00 55.95 56.17 3i50 s SER 116 Cb -0.29 0.51 0.03 0.00 0.21 0.00 0.00 66.02 66.48 3i50 s SER 116 CO 0.37 -1.03 0.43 -0.51 0.41 0.00 0.00 173.24 172.91 3i50 s ILE 117 N -3.75 0.06 -0.06 1.44 2.07 -1.26 -0.65 121.20 119.04 3i50 s ILE 117 Ca 0.35 -0.67 -0.02 0.00 -1.41 0.00 0.00 60.65 58.90 3i50 s ILE 117 Cb 0.03 -1.31 0.04 0.00 0.13 0.00 0.00 42.46 41.35 3i50 s ILE 117 CO 0.17 -0.26 0.11 -0.36 -1.91 0.00 0.00 174.94 172.69 3i50 s PHE 118 N -3.83 -0.08 0.60 3.50 0.40 -1.10 -5.00 117.98 112.47 3i50 s PHE 118 Ca 0.05 0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 56.60 3i50 s PHE 118 Cb 0.01 -0.27 -0.03 0.00 0.51 0.00 0.00 43.02 43.24 3i50 s PHE 118 CO -0.09 -0.19 1.22 -2.14 0.70 0.00 0.00 175.22 174.72 3i50 s PRO 119 N 1.79 2.91 -0.32 0.24 0.02 -1.26 -4.03 135.00 134.34 3i50 s PRO 119 Ca -0.01 1.86 -0.33 0.00 0.02 0.00 0.00 61.00 62.54 3i50 s PRO 119 Cb -0.12 -1.92 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 3i50 s PRO 119 CO -0.05 -1.27 2.21 -2.30 -0.33 0.00 0.00 177.00 175.27 3i50 n PRO 120 N -1.64 1.34 -1.68 5.54 -0.02 -1.26 -4.87 135.00 132.41 3i50 n PRO 120 Ca 0.14 0.36 -0.46 0.00 -2.02 0.00 0.00 63.50 61.52 3i50 n PRO 120 Cb 0.49 -2.73 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 3i50 n PRO 120 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i50 n SER 121 N 10.62 3.60 -0.47 2.55 3.41 -1.26 -4.83 113.62 127.25 3i50 n SER 121 Ca 0.38 0.98 0.39 0.00 -0.26 0.00 0.00 58.87 60.36 3i50 n SER 121 Cb 0.30 -1.44 0.68 0.00 -0.26 0.00 0.00 64.21 63.50 3i50 n SER 121 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3i50 h SER 122 N 8.72 0.18 -0.81 4.04 4.64 -1.96 -2.75 113.55 125.61 3i50 h SER 122 Ca -0.48 0.09 0.16 0.00 -0.47 0.00 0.00 61.79 61.08 3i50 h SER 122 Cb 1.25 0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 63.27 3i50 h SER 122 CO 0.94 -0.10 -0.23 -0.62 -0.87 0.00 0.00 176.83 175.95 3i50 n GLU 123 N -4.47 -0.10 0.05 4.77 4.71 -1.26 -0.47 120.64 123.87 3i50 n GLU 123 Ca 0.36 1.27 0.11 0.00 -0.01 0.00 0.00 57.16 58.89 3i50 n GLU 123 Cb 1.47 -1.89 0.02 0.00 -1.01 0.00 0.00 31.44 30.03 3i50 n GLU 123 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 3i50 n GLN 124 N -5.30 0.41 0.00 3.49 7.27 -1.03 -3.64 117.38 118.57 3i50 n GLN 124 Ca 0.12 0.03 0.01 0.00 0.07 0.00 0.00 57.00 57.23 3i50 n GLN 124 Cb 0.39 -1.66 0.07 0.00 2.41 0.00 0.00 30.24 31.45 3i50 n GLN 124 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3i50 n LEU 125 N -2.20 0.00 0.00 1.69 4.77 0.38 -0.54 117.00 121.11 3i50 n LEU 125 Ca 0.01 0.12 -0.18 0.00 -0.03 0.00 0.00 56.01 55.93 3i50 n LEU 125 Cb 0.48 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 3i50 n LEU 125 CO 0.40 -0.11 0.21 0.74 -1.33 0.00 0.00 177.39 177.30 3i50 h THR 126 N 0.00 1.31 0.00 -5.08 2.02 -1.61 -3.34 112.91 106.21 3i50 h THR 126 Ca 0.00 -2.06 -0.00 0.00 0.77 0.00 0.00 66.41 65.12 3i50 h THR 126 Cb 0.01 2.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.67 3i50 h THR 126 CO 0.00 0.63 -0.31 -1.54 0.37 0.00 0.00 175.52 174.68 3i50 n SER 127 N -4.00 1.96 -0.69 4.18 3.41 -1.17 -4.94 113.62 112.37 3i50 n SER 127 Ca -0.09 -3.58 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 3i50 n SER 127 Cb 0.76 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3i50 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i50 n GLY 128 N -1.24 0.55 2.85 5.00 0.00 -1.24 -5.07 105.19 106.03 3i50 n GLY 128 Ca 0.18 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 3i50 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i50 s GLY 129 N -2.56 0.69 -0.07 -0.02 0.00 0.30 -4.07 107.32 101.59 3i50 s GLY 129 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 44.72 44.01 3i50 s GLY 129 CO 0.00 0.96 0.99 0.00 0.00 0.00 0.00 173.10 175.05 3i50 s ALA 130 N 1.81 -1.90 -0.29 3.20 0.00 -1.26 -1.37 121.76 121.94 3i50 s ALA 130 Ca 0.05 1.24 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 3i50 s ALA 130 Cb -0.13 0.12 0.16 0.00 0.00 0.00 0.00 23.12 23.27 3i50 s ALA 130 CO -0.07 -0.61 1.02 -1.12 0.00 0.00 0.00 175.76 174.98 3i50 s SER 131 N -2.21 -0.45 0.31 0.00 0.01 -1.26 -4.51 113.70 105.59 3i50 s SER 131 Ca 0.05 0.70 -0.28 0.00 1.31 0.00 0.00 55.95 57.73 3i50 s SER 131 Cb -0.01 1.24 -0.09 0.00 0.21 0.00 0.00 66.02 67.37 3i50 s SER 131 CO -0.07 -0.11 1.05 -0.69 0.41 0.00 0.00 173.24 173.83 3i50 s VAL 132 N 1.45 3.71 -0.11 3.43 1.01 -1.25 -4.68 120.40 123.96 3i50 s VAL 132 Ca -0.08 1.58 -0.01 0.00 0.00 0.00 0.00 61.98 63.47 3i50 s VAL 132 Cb -0.04 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.42 3i50 s VAL 132 CO -0.15 0.28 -0.01 -0.69 0.00 0.00 0.00 175.10 174.53 3i50 s VAL 133 N -1.33 0.58 0.33 2.92 1.01 -1.26 -2.54 120.40 120.11 3i50 s VAL 133 Ca 0.48 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3i50 s VAL 133 Cb -0.27 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3i50 s VAL 133 CO 0.35 0.18 0.52 0.00 0.00 0.00 0.00 175.10 176.15 3i50 s PHE 135 N -2.27 0.27 -0.44 0.00 0.40 0.17 -3.09 117.98 113.02 3i50 s PHE 135 Ca 0.39 -0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.69 3i50 s PHE 135 Cb -0.10 -0.17 0.17 0.00 0.51 0.00 0.00 43.02 43.43 3i50 s PHE 135 CO 0.35 -0.01 0.34 -0.51 0.70 0.00 0.00 175.22 176.09 3i50 s LEU 136 N -0.14 1.76 0.00 -0.37 1.02 -0.77 0.02 118.68 120.20 3i50 s LEU 136 Ca 0.00 -3.05 -0.05 0.00 0.02 0.00 0.00 54.13 51.06 3i50 s LEU 136 Cb -0.02 -0.57 0.06 0.00 0.02 0.00 0.00 46.19 45.68 3i50 s LEU 136 CO -0.00 -0.18 0.38 0.59 0.02 0.00 0.00 176.35 177.16 3i50 n ASN 137 N 2.89 0.04 0.00 2.29 4.13 -1.20 -0.94 115.26 122.48 3i50 n ASN 137 Ca 0.26 -1.14 0.00 0.00 1.68 0.00 0.00 54.58 55.38 3i50 n ASN 137 Cb 0.45 -0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 3i50 n ASN 137 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3i50 n ASN 138 N -3.24 0.00 -3.61 6.41 4.13 -1.05 -3.59 115.26 114.32 3i50 n ASN 138 Ca 0.05 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.16 3i50 n ASN 138 Cb 0.16 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.34 3i50 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3i50 s PHE 139 N 0.00 -0.74 0.01 3.10 -0.12 -1.26 -4.19 117.98 114.79 3i50 s PHE 139 Ca 0.00 1.69 -0.01 0.00 -0.05 0.00 0.00 56.93 58.56 3i50 s PHE 139 Cb 0.00 0.31 -0.01 0.00 -0.63 0.00 0.00 43.02 42.69 3i50 s PHE 139 CO 0.00 -0.42 0.01 -0.47 -0.05 0.00 0.00 175.22 174.30 3i50 s TYR 140 N 0.02 0.13 0.00 3.49 6.14 -1.23 -2.93 117.35 122.97 3i50 s TYR 140 Ca -0.02 -0.27 0.00 0.00 0.64 0.00 0.00 57.07 57.41 3i50 s TYR 140 Cb -0.04 -0.10 0.00 0.00 0.42 0.00 0.00 41.96 42.24 3i50 s TYR 140 CO 0.02 -0.15 0.00 -0.35 0.64 0.00 0.00 175.55 175.72 3i50 n PRO 141 N 2.05 -0.53 0.01 4.97 -0.04 -1.26 -2.37 135.00 137.82 3i50 n PRO 141 Ca -0.20 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.08 3i50 n PRO 141 Cb 0.57 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.93 3i50 n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i50 h LYS 142 N 0.00 0.68 -6.21 0.54 3.64 -2.02 -3.46 116.57 109.74 3i50 h LYS 142 Ca 0.00 -0.64 -0.70 0.00 -1.27 0.00 0.00 60.65 58.03 3i50 h LYS 142 Cb 0.00 0.16 0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3i50 h LYS 142 CO 0.00 1.25 0.77 -3.47 -2.27 0.00 0.00 179.45 175.73 3i50 n ASP 143 N -3.98 2.29 -3.52 4.20 -0.08 -1.26 -4.94 116.55 109.26 3i50 n ASP 143 Ca -0.09 1.08 -0.00 0.00 -1.51 0.00 0.00 54.79 54.26 3i50 n ASP 143 Cb 0.78 -1.19 -0.05 0.00 2.34 0.00 0.00 41.12 43.00 3i50 n ASP 143 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3i50 s ILE 144 N 2.50 -0.40 -0.17 5.18 2.07 -1.26 -4.77 121.20 124.34 3i50 s ILE 144 Ca 0.92 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.98 3i50 s ILE 144 Cb -0.98 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 40.58 3i50 s ILE 144 CO 0.57 0.00 0.49 0.20 -1.91 0.00 0.00 174.94 174.29 3i50 s ASN 145 N 2.16 6.60 -0.01 4.50 0.01 -0.96 -4.99 114.94 122.25 3i50 s ASN 145 Ca -0.05 0.72 0.05 0.00 -0.71 0.00 0.00 52.86 52.87 3i50 s ASN 145 Cb -0.06 -2.29 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 3i50 s ASN 145 CO -0.17 -0.10 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.46 3i50 s VAL 146 N 1.21 2.88 -0.01 1.60 1.01 -1.26 -1.18 120.40 124.64 3i50 s VAL 146 Ca 0.24 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3i50 s VAL 146 Cb -0.15 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.09 3i50 s VAL 146 CO 0.10 0.48 0.28 -0.75 0.00 0.00 0.00 175.10 175.20 3i50 s LYS 147 N -1.04 0.63 0.36 2.72 2.20 -1.12 -5.00 119.74 118.49 3i50 s LYS 147 Ca 0.13 -0.23 0.09 0.00 -0.36 0.00 0.00 55.97 55.60 3i50 s LYS 147 Cb -0.11 0.28 -0.07 0.00 -1.51 0.00 0.00 37.83 36.42 3i50 s LYS 147 CO 0.03 -0.17 -0.07 -1.58 -0.36 0.00 0.00 175.35 173.20 3i50 s TRP 148 N -1.33 2.43 -0.13 4.03 0.52 -1.26 0.02 118.94 123.22 3i50 s TRP 148 Ca -0.14 -0.54 -0.06 0.00 0.02 0.00 0.00 56.10 55.38 3i50 s TRP 148 Cb -0.06 -1.48 0.05 0.00 -1.15 0.00 0.00 33.47 30.83 3i50 s TRP 148 CO 0.04 0.55 0.30 0.15 0.02 0.00 0.00 176.95 178.01 3i50 s LYS 149 N -3.64 0.26 -1.34 4.98 1.02 -1.26 -2.93 119.74 116.83 3i50 s LYS 149 Ca 0.33 0.63 -0.16 0.00 0.02 0.00 0.00 55.97 56.79 3i50 s LYS 149 Cb 0.04 -0.08 0.07 0.00 -0.52 0.00 0.00 37.83 37.35 3i50 s LYS 149 CO 0.17 -0.17 1.88 -0.89 -0.92 0.00 0.00 175.35 175.42 3i50 n ILE 150 N 4.33 3.83 -3.62 2.17 5.41 0.25 -4.13 119.36 127.61 3i50 n ILE 150 Ca -0.23 -3.81 -0.27 0.00 1.00 0.00 0.00 62.75 59.43 3i50 n ILE 150 Cb 0.53 -2.44 0.04 0.00 -0.71 0.00 0.00 39.64 37.07 3i50 n ILE 150 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3i50 n ASP 151 N 7.26 -4.87 0.00 4.38 9.92 -1.23 -2.39 116.55 129.62 3i50 n ASP 151 Ca 0.49 -0.94 0.00 0.00 -0.53 0.00 0.00 54.79 53.81 3i50 n ASP 151 Cb 0.43 -3.78 0.00 0.00 -0.64 0.00 0.00 41.12 37.13 3i50 n ASP 151 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i50 n GLY 152 N -1.60 0.74 3.42 0.44 0.00 -1.26 -5.03 105.19 101.89 3i50 n GLY 152 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3i50 n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i50 s SER 153 N -2.71 6.01 -0.23 1.61 0.01 -1.00 -5.02 113.70 112.35 3i50 s SER 153 Ca 0.00 -1.01 -0.32 0.00 1.31 0.00 0.00 55.95 55.93 3i50 s SER 153 Cb 0.00 -2.12 -0.09 0.00 0.21 0.00 0.00 66.02 64.02 3i50 s SER 153 CO 0.00 -0.46 2.13 -1.84 0.41 0.00 0.00 173.24 173.47 3i50 n GLU 154 N 5.12 1.69 -3.81 12.44 0.28 -1.26 0.86 120.64 135.96 3i50 n GLU 154 Ca -0.11 0.51 -0.36 0.00 -0.16 0.00 0.00 57.16 57.04 3i50 n GLU 154 Cb 0.46 -2.80 -0.11 0.00 1.43 0.00 0.00 31.44 30.42 3i50 n GLU 154 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 3i50 s ARG 155 N 5.75 3.81 0.00 3.44 3.52 -1.15 -4.90 118.95 129.41 3i50 s ARG 155 Ca 1.02 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 3i50 s ARG 155 Cb -0.62 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 3i50 s ARG 155 CO 0.45 -0.05 0.00 0.94 -0.81 0.00 0.00 175.30 175.83 3i50 n GLN 156 N 4.53 1.64 -2.30 5.12 7.27 -1.26 -4.52 117.38 127.86 3i50 n GLN 156 Ca -0.16 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.51 3i50 n GLN 156 Cb 0.52 -0.94 -0.03 0.00 2.41 0.00 0.00 30.24 32.20 3i50 n GLN 156 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 3i50 s ASN 157 N -2.09 5.73 0.00 1.69 0.01 -1.26 -2.89 114.94 116.13 3i50 s ASN 157 Ca 0.00 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.07 3i50 s ASN 157 Cb 0.00 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.11 3i50 s ASN 157 CO 0.00 -2.10 0.00 0.61 -1.51 0.00 0.00 177.10 174.10 3i50 n GLY 158 N 5.55 1.78 2.89 0.66 0.00 -1.26 -4.56 105.19 110.25 3i50 n GLY 158 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3i50 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i50 s VAL 159 N -2.00 1.47 -0.01 1.61 1.01 -1.14 -0.11 120.40 121.23 3i50 s VAL 159 Ca 0.00 -1.52 0.08 0.00 0.00 0.00 0.00 61.98 60.54 3i50 s VAL 159 Cb 0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3i50 s VAL 159 CO 0.00 -0.40 -0.26 -0.76 0.00 0.00 0.00 175.10 173.68 3i50 s LEU 160 N 1.36 2.06 0.34 3.92 1.43 -1.21 -4.95 118.68 121.63 3i50 s LEU 160 Ca 0.03 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 3i50 s LEU 160 Cb -0.18 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 3i50 s LEU 160 CO -0.12 0.31 0.13 0.20 0.23 0.00 0.00 176.35 177.09 3i50 s ASN 161 N -0.68 4.66 -0.42 2.29 0.01 -1.26 -3.23 114.94 116.31 3i50 s ASN 161 Ca 0.10 -0.77 0.02 0.00 -0.71 0.00 0.00 52.86 51.50 3i50 s ASN 161 Cb -0.10 -0.73 0.14 0.00 0.41 0.00 0.00 41.25 40.96 3i50 s ASN 161 CO -0.01 -0.28 0.24 -0.55 -1.51 0.00 0.00 177.10 174.99 3i50 s SER 162 N -3.83 3.50 -0.29 -1.22 0.15 0.17 -4.97 113.70 107.21 3i50 s SER 162 Ca 0.37 -2.55 -0.29 0.00 0.70 0.00 0.00 55.95 54.18 3i50 s SER 162 Cb -0.03 -0.91 0.01 0.00 -1.71 0.00 0.00 66.02 63.38 3i50 s SER 162 CO 0.22 -0.27 1.18 0.26 1.20 0.00 0.00 173.24 175.83 3i50 s TRP 163 N 0.48 2.94 0.72 3.44 0.51 -1.26 -2.90 118.94 122.87 3i50 s TRP 163 Ca 0.18 1.06 0.01 0.00 -2.12 0.00 0.00 56.10 55.22 3i50 s TRP 163 Cb -0.24 -3.74 0.13 0.00 -0.81 0.00 0.00 33.47 28.81 3i50 s TRP 163 CO 0.00 -1.23 0.99 0.95 -0.51 0.00 0.00 176.95 177.15 3i50 s THR 164 N 3.90 2.06 0.72 2.01 -4.23 -0.91 -5.06 115.64 114.13 3i50 s THR 164 Ca 0.51 -0.66 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 3i50 s THR 164 Cb -0.15 -2.40 0.13 0.00 1.34 0.00 0.00 72.50 71.43 3i50 s THR 164 CO 0.18 0.00 0.99 -1.81 -0.54 0.00 0.00 174.62 173.44 3i50 s ASP 165 N -4.77 4.34 -0.45 3.99 1.11 -1.26 -4.68 116.67 114.95 3i50 s ASP 165 Ca 0.67 -0.53 -0.28 0.00 0.18 0.00 0.00 52.55 52.58 3i50 s ASP 165 Cb -0.05 0.20 0.01 0.00 1.07 0.00 0.00 42.92 44.15 3i50 s ASP 165 CO 0.44 -1.88 1.45 -1.58 1.18 0.00 0.00 175.17 174.78 3i50 s GLN 166 N -5.11 3.46 0.37 8.23 0.74 -1.26 -4.55 119.66 121.54 3i50 s GLN 166 Ca 0.67 0.83 -0.24 0.00 0.05 0.00 0.00 55.36 56.67 3i50 s GLN 166 Cb -0.04 -4.07 -0.13 0.00 1.10 0.00 0.00 33.01 29.86 3i50 s GLN 166 CO 0.44 -1.72 0.64 -3.47 -0.55 0.00 0.00 175.29 170.63 3i50 n ASP 167 N 9.23 -0.48 0.02 6.67 -0.08 0.27 -4.80 116.55 127.39 3i50 n ASP 167 Ca 0.16 0.98 -0.03 0.00 -1.51 0.00 0.00 54.79 54.39 3i50 n ASP 167 Cb 0.48 -1.13 -0.10 0.00 2.34 0.00 0.00 41.12 42.71 3i50 n ASP 167 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 3i50 h SER 168 N 1.05 0.00 1.60 1.67 0.87 -1.93 0.37 113.55 117.19 3i50 h SER 168 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 3i50 h SER 168 Cb 1.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 3i50 h SER 168 CO 0.54 0.74 0.00 0.11 -0.53 0.00 0.00 176.83 177.69 3i50 h LYS 169 N 0.00 0.00 0.00 2.24 1.57 -1.98 -3.38 116.57 115.02 3i50 h LYS 169 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3i50 h LYS 169 Cb 1.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.04 3i50 h LYS 169 CO 0.06 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.54 3i50 n ASP 170 N -2.56 0.00 0.00 0.86 5.75 -1.26 -5.03 116.55 114.31 3i50 n ASP 170 Ca 0.05 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 3i50 n ASP 170 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 3i50 n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3i50 n SER 171 N 0.00 -5.08 -4.76 -1.12 7.64 0.12 -4.97 113.62 105.45 3i50 n SER 171 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 3i50 n SER 171 Cb 0.50 -2.62 0.09 0.00 -1.01 0.00 0.00 64.21 61.17 3i50 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3i50 s THR 172 N -1.30 2.22 0.00 0.44 -4.23 -1.25 -4.50 115.64 107.02 3i50 s THR 172 Ca 0.00 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 3i50 s THR 172 Cb 0.00 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3i50 s THR 172 CO 0.00 0.00 0.00 -1.22 -0.54 0.00 0.00 174.62 172.86 3i50 n TYR 173 N -3.03 0.00 0.00 3.99 4.01 -1.15 0.94 117.16 121.92 3i50 n TYR 173 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 3i50 n TYR 173 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 3i50 n TYR 173 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3i50 n SER 174 N 0.00 0.00 -4.14 7.72 7.64 -1.26 -2.52 113.62 121.06 3i50 n SER 174 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 3i50 n SER 174 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 3i50 n SER 174 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3i50 s MET 175 N -1.10 0.82 -0.13 1.43 1.75 -0.11 -2.15 119.30 119.82 3i50 s MET 175 Ca 0.00 -1.36 -0.06 0.00 -1.25 0.00 0.00 55.69 53.02 3i50 s MET 175 Cb 0.00 0.15 0.06 0.00 2.84 0.00 0.00 34.83 37.88 3i50 s MET 175 CO 0.00 -0.18 0.29 0.45 -0.65 0.00 0.00 175.02 174.94 3i50 s SER 176 N -3.01 -0.19 0.15 1.11 0.15 -1.14 -1.85 113.70 108.92 3i50 s SER 176 Ca 0.17 0.64 0.10 0.00 0.70 0.00 0.00 55.95 57.56 3i50 s SER 176 Cb 0.07 0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 64.94 3i50 s SER 176 CO -0.03 -0.19 -0.23 -0.55 1.20 0.00 0.00 173.24 173.44 3i50 s SER 177 N 1.60 3.09 -0.20 5.45 0.15 -1.18 -0.66 113.70 121.95 3i50 s SER 177 Ca -0.07 -0.80 -0.05 0.00 0.70 0.00 0.00 55.95 55.73 3i50 s SER 177 Cb -0.10 -0.20 0.10 0.00 -1.71 0.00 0.00 66.02 64.10 3i50 s SER 177 CO -0.10 0.09 0.38 -0.89 1.20 0.00 0.00 173.24 173.93 3i50 s THR 178 N -1.49 -0.59 0.28 6.45 2.01 -1.20 -2.50 115.64 118.60 3i50 s THR 178 Ca 0.15 0.11 -0.18 0.00 0.31 0.00 0.00 61.69 62.08 3i50 s THR 178 Cb -0.08 -0.68 -0.09 0.00 0.01 0.00 0.00 72.50 71.66 3i50 s THR 178 CO 0.07 0.01 0.76 -0.22 -0.69 0.00 0.00 174.62 174.55 3i50 s LEU 179 N 2.56 4.20 -0.28 4.42 2.96 -1.05 -3.31 118.68 128.18 3i50 s LEU 179 Ca 0.03 1.41 -0.18 0.00 -0.22 0.00 0.00 54.13 55.17 3i50 s LEU 179 Cb -0.13 -3.88 0.08 0.00 0.50 0.00 0.00 46.19 42.76 3i50 s LEU 179 CO -0.13 -0.10 0.72 -0.89 -1.32 0.00 0.00 176.35 174.63 3i50 s THR 180 N -1.76 0.00 0.12 3.68 2.01 0.84 -3.92 115.64 116.61 3i50 s THR 180 Ca 0.49 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.49 3i50 s THR 180 Cb -0.14 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.37 3i50 s THR 180 CO 0.19 0.00 0.00 -0.11 -0.69 0.00 0.00 174.62 174.01 3i50 n LEU 181 N 3.84 -0.90 0.00 4.42 0.00 -1.26 -4.01 117.00 119.08 3i50 n LEU 181 Ca -0.18 0.23 0.00 0.00 0.00 0.00 0.00 56.01 56.06 3i50 n LEU 181 Cb 0.58 1.11 0.00 0.00 0.00 0.00 0.00 43.42 45.11 3i50 n LEU 181 CO -0.00 -0.36 0.00 0.35 0.00 0.00 0.00 177.39 177.38 3i50 n THR 182 N -2.78 0.00 0.00 1.96 -2.24 -1.26 -5.07 114.28 104.89 3i50 n THR 182 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i50 n THR 182 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3i50 n THR 182 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i50 n LYS 183 N 0.00 1.89 0.00 -0.78 0.00 -1.26 -4.35 118.16 113.66 3i50 n LYS 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3i50 n LYS 183 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 35.03 34.36 3i50 n LYS 183 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3i50 n ASP 184 N -0.91 0.00 -3.49 3.14 -0.08 -1.26 -2.75 116.55 111.19 3i50 n ASP 184 Ca 0.00 0.12 -0.38 0.00 -1.51 0.00 0.00 54.79 53.02 3i50 n ASP 184 Cb 0.14 -0.12 0.01 0.00 2.34 0.00 0.00 41.12 43.48 3i50 n ASP 184 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3i50 n GLU 185 N -1.04 4.96 -0.07 -0.67 2.13 -1.26 -4.18 120.64 120.50 3i50 n GLU 185 Ca 0.00 -4.71 -0.15 0.00 0.66 0.00 0.00 57.16 52.96 3i50 n GLU 185 Cb 0.03 -2.42 -0.05 0.00 0.27 0.00 0.00 31.44 29.27 3i50 n GLU 185 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3i50 n TYR 186 N -0.08 0.00 0.84 4.31 9.36 -1.11 -4.58 117.16 125.90 3i50 n TYR 186 Ca 0.43 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.78 3i50 n TYR 186 Cb 0.29 -0.51 0.41 0.00 -0.63 0.00 0.00 39.34 38.90 3i50 n TYR 186 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3i50 n GLU 187 N -3.60 0.11 0.02 2.98 1.02 -1.26 -3.28 120.64 116.63 3i50 n GLU 187 Ca -0.28 0.07 0.09 0.00 -0.02 0.00 0.00 57.16 57.02 3i50 n GLU 187 Cb 0.70 -1.61 0.40 0.00 -0.02 0.00 0.00 31.44 30.92 3i50 n GLU 187 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3i50 n ARG 188 N -1.79 0.03 -3.52 3.49 0.63 -1.26 -4.82 116.66 109.42 3i50 n ARG 188 Ca 0.06 0.21 -0.08 0.00 -0.92 0.00 0.00 57.85 57.12 3i50 n ARG 188 Cb 0.38 -1.54 -0.02 0.00 0.45 0.00 0.00 32.46 31.72 3i50 n ARG 188 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3i50 s HIS 189 N -3.03 -0.32 0.00 -0.14 2.46 -1.20 -5.05 115.29 108.01 3i50 s HIS 189 Ca 0.08 0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.84 3i50 s HIS 189 Cb 0.12 0.53 0.00 0.00 -0.13 0.00 0.00 32.58 33.09 3i50 s HIS 189 CO 0.35 -0.48 0.00 -1.71 -2.47 0.00 0.00 174.74 170.43 3i50 n ASN 190 N -0.14 4.22 -4.54 9.88 5.15 -1.26 -4.67 115.26 123.89 3i50 n ASN 190 Ca -0.07 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.48 3i50 n ASN 190 Cb 0.61 0.46 -0.07 0.00 -0.53 0.00 0.00 39.78 40.24 3i50 n ASN 190 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3i50 s SER 191 N -2.60 6.32 0.24 1.20 0.01 -1.26 -5.05 113.70 112.56 3i50 s SER 191 Ca 0.00 -0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.15 3i50 s SER 191 Cb 0.00 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 3i50 s SER 191 CO 0.00 -0.61 0.10 -0.31 0.41 0.00 0.00 173.24 172.84 3i50 s TYR 192 N 2.54 2.94 -0.02 2.43 2.02 -1.26 -3.47 117.35 122.54 3i50 s TYR 192 Ca 0.20 -0.15 -0.17 0.00 -0.37 0.00 0.00 57.07 56.58 3i50 s TYR 192 Cb -0.15 -1.33 0.03 0.00 -0.40 0.00 0.00 41.96 40.10 3i50 s TYR 192 CO 0.15 0.56 0.36 0.95 -1.57 0.00 0.00 175.55 176.00 3i50 s THR 193 N -2.14 0.05 -0.36 -0.71 -4.23 -1.26 -4.90 115.64 102.10 3i50 s THR 193 Ca 0.32 -0.42 0.01 0.00 -1.18 0.00 0.00 61.69 60.42 3i50 s THR 193 Cb -0.08 -0.67 0.11 0.00 1.34 0.00 0.00 72.50 73.21 3i50 s THR 193 CO 0.22 -0.23 0.13 0.00 -0.54 0.00 0.00 174.62 174.21 3i50 s GLU 195 N 1.07 4.05 -0.15 0.00 2.12 0.10 -3.75 118.70 122.15 3i50 s GLU 195 Ca 0.12 -2.93 -0.22 0.00 0.36 0.00 0.00 54.97 52.31 3i50 s GLU 195 Cb -0.20 -4.61 -0.03 0.00 0.26 0.00 0.00 34.13 29.55 3i50 s GLU 195 CO -0.14 -1.34 0.66 0.00 -0.54 0.00 0.00 175.26 173.89 3i50 s ALA 196 N -0.45 3.47 -0.08 6.30 0.00 0.11 -2.80 121.76 128.30 3i50 s ALA 196 Ca 0.30 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.20 3i50 s ALA 196 Cb -0.09 -2.96 -0.00 0.00 0.00 0.00 0.00 23.12 20.07 3i50 s ALA 196 CO -0.07 -0.37 -0.23 -0.08 0.00 0.00 0.00 175.76 175.01 3i50 s THR 197 N 1.45 1.98 0.00 0.00 -1.32 -0.33 -0.40 115.64 117.03 3i50 s THR 197 Ca 0.32 -1.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 3i50 s THR 197 Cb -0.16 -1.70 0.00 0.00 -1.51 0.00 0.00 72.50 69.12 3i50 s THR 197 CO 0.13 0.55 0.00 1.57 -2.21 0.00 0.00 174.62 174.66 3i50 n HIS 198 N 3.32 0.00 -0.07 9.09 -0.00 -1.26 -2.28 115.22 124.02 3i50 n HIS 198 Ca -0.19 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.99 3i50 n HIS 198 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 3i50 n HIS 198 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 3i50 n LYS 199 N 0.00 1.45 -0.50 1.57 2.85 -1.26 -4.58 118.16 117.69 3i50 n LYS 199 Ca 0.00 -1.08 0.08 0.00 -1.05 0.00 0.00 58.31 56.26 3i50 n LYS 199 Cb 0.00 -0.96 0.29 0.00 -0.65 0.00 0.00 35.03 33.70 3i50 n LYS 199 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3i50 n THR 200 N -0.30 1.97 -3.68 0.58 -2.24 -1.26 -4.91 114.28 104.45 3i50 n THR 200 Ca 0.00 -1.45 -0.13 0.00 -2.27 0.00 0.00 64.05 60.20 3i50 n THR 200 Cb 0.18 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 3i50 n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3i50 s SER 201 N -1.30 -0.61 -0.04 3.42 0.15 -1.26 -4.94 113.70 109.11 3i50 s SER 201 Ca 0.43 1.17 -0.23 0.00 0.70 0.00 0.00 55.95 58.01 3i50 s SER 201 Cb 0.30 1.17 -0.18 0.00 -1.71 0.00 0.00 66.02 65.61 3i50 s SER 201 CO 0.16 -0.20 1.01 0.71 1.20 0.00 0.00 173.24 176.12 3i50 h THR 202 N 4.31 1.03 -3.61 6.45 1.35 -1.92 -3.43 112.91 117.10 3i50 h THR 202 Ca -0.28 -1.15 -0.63 0.00 -0.55 0.00 0.00 66.41 63.80 3i50 h THR 202 Cb 1.17 1.69 -0.14 0.00 -1.73 0.00 0.00 68.15 69.15 3i50 h THR 202 CO 0.15 0.25 -0.06 -0.44 -0.25 0.00 0.00 175.52 175.17 3i50 s SER 203 N -5.53 6.38 -0.51 5.36 0.01 -1.26 -4.99 113.70 113.15 3i50 s SER 203 Ca -0.14 0.36 -0.36 0.00 1.31 0.00 0.00 55.95 57.12 3i50 s SER 203 Cb 0.01 -2.27 -0.15 0.00 0.21 0.00 0.00 66.02 63.82 3i50 s SER 203 CO 0.55 -0.32 2.29 -0.81 0.41 0.00 0.00 173.24 175.35 3i50 n PRO 204 N 5.56 0.61 -1.57 12.44 -0.04 -1.26 -4.83 135.00 145.91 3i50 n PRO 204 Ca -0.05 0.14 -0.54 0.00 -0.04 0.00 0.00 63.50 63.00 3i50 n PRO 204 Cb 0.50 -2.14 -0.07 0.00 -0.04 0.00 0.00 33.50 31.75 3i50 n PRO 204 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3i50 n ILE 205 N 7.14 0.01 -3.55 0.52 2.08 0.46 -4.61 119.36 121.41 3i50 n ILE 205 Ca 0.49 -0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.50 3i50 n ILE 205 Cb 0.15 -0.58 -0.14 0.00 -0.75 0.00 0.00 39.64 38.31 3i50 n ILE 205 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3i50 s VAL 206 N 0.45 0.07 -0.89 1.39 1.01 -1.26 0.04 120.40 121.21 3i50 s VAL 206 Ca 0.87 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3i50 s VAL 206 Cb -1.06 -1.08 0.29 0.00 0.00 0.00 0.00 36.38 34.54 3i50 s VAL 206 CO 0.51 -0.77 1.24 1.17 0.00 0.00 0.00 175.10 177.25 3i50 n LYS 207 N 5.00 3.87 0.00 2.72 4.81 -1.25 -4.97 118.16 128.34 3i50 n LYS 207 Ca -0.03 -4.64 0.00 0.00 -0.87 0.00 0.00 58.31 52.78 3i50 n LYS 207 Cb 0.41 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.06 3i50 n LYS 207 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44