#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3is9 s ILE 2 N 0.00 4.59 0.14 0.52 -0.00 -1.26 -5.02 121.20 120.17 3is9 s ILE 2 Ca 0.00 1.14 -0.10 0.00 -0.00 0.00 0.00 60.65 61.69 3is9 s ILE 2 Cb 0.00 -3.70 -0.06 0.00 -0.00 0.00 0.00 42.46 38.70 3is9 s ILE 2 CO 0.00 -0.07 0.47 -0.94 -0.00 0.00 0.00 174.94 174.40 3is9 s SER 3 N -2.05 6.67 0.64 4.36 1.04 -0.90 -4.98 113.70 118.46 3is9 s SER 3 Ca 0.52 0.87 -0.12 0.00 0.48 0.00 0.00 55.95 57.69 3is9 s SER 3 Cb -0.12 -2.21 -0.02 0.00 0.10 0.00 0.00 66.02 63.77 3is9 s SER 3 CO 0.18 0.09 1.04 -2.16 0.98 0.00 0.00 173.24 173.37 3is9 s PRO 4 N -2.22 3.28 -0.30 4.02 0.04 -1.26 -4.44 135.00 134.13 3is9 s PRO 4 Ca 0.38 0.95 -0.20 0.00 0.04 0.00 0.00 61.00 62.18 3is9 s PRO 4 Cb -0.13 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 3is9 s PRO 4 CO 0.20 -0.82 0.60 0.42 0.04 0.00 0.00 177.00 177.43 3is9 s ILE 5 N -2.92 4.97 0.21 0.56 1.09 -1.26 -5.00 121.20 118.84 3is9 s ILE 5 Ca 0.58 0.80 -0.31 0.00 -1.10 0.00 0.00 60.65 60.62 3is9 s ILE 5 Cb -0.13 -3.97 -0.15 0.00 -1.06 0.00 0.00 42.46 37.15 3is9 s ILE 5 CO 0.49 -0.11 1.09 1.21 -0.10 0.00 0.00 174.94 177.51 3is9 n GLU 6 N 5.81 1.16 -3.01 2.79 2.13 -1.26 -4.77 120.64 123.48 3is9 n GLU 6 Ca -0.02 0.41 -0.37 0.00 0.66 0.00 0.00 57.16 57.84 3is9 n GLU 6 Cb 0.49 -1.85 -0.06 0.00 0.27 0.00 0.00 31.44 30.29 3is9 n GLU 6 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 3is9 s THR 7 N -0.47 4.46 -0.33 6.31 -1.32 -1.26 -4.99 115.64 118.04 3is9 s THR 7 Ca 0.69 1.45 -0.18 0.00 -1.21 0.00 0.00 61.69 62.44 3is9 s THR 7 Cb -0.81 -3.92 -0.01 0.00 -1.51 0.00 0.00 72.50 66.24 3is9 s THR 7 CO 0.55 0.23 0.49 -0.69 -2.21 0.00 0.00 174.62 172.98 3is9 s VAL 8 N -1.50 5.05 0.06 5.08 1.01 -1.26 -5.02 120.40 123.82 3is9 s VAL 8 Ca 0.44 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 3is9 s VAL 8 Cb -0.18 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 3is9 s VAL 8 CO 0.22 -0.15 1.93 -2.16 0.00 0.00 0.00 175.10 174.94 3is9 s PRO 9 N 2.32 4.14 0.28 2.72 0.04 -1.26 -4.36 135.00 138.88 3is9 s PRO 9 Ca 0.18 2.61 0.11 0.00 0.04 0.00 0.00 61.00 63.94 3is9 s PRO 9 Cb -0.16 -3.99 -0.05 0.00 0.04 0.00 0.00 34.50 30.35 3is9 s PRO 9 CO 0.12 -0.92 -0.12 0.08 0.04 0.00 0.00 177.00 176.20 3is9 s VAL 10 N 3.94 2.79 0.17 -0.36 1.01 -1.26 -5.10 120.40 121.59 3is9 s VAL 10 Ca 0.86 -2.21 -0.16 0.00 0.00 0.00 0.00 61.98 60.47 3is9 s VAL 10 Cb -0.44 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3is9 s VAL 10 CO 0.40 -0.37 0.46 -0.54 0.00 0.00 0.00 175.10 175.05 3is9 s LYS 11 N -3.58 1.27 0.19 2.72 1.02 -1.26 -4.83 119.74 115.28 3is9 s LYS 11 Ca 0.31 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.41 3is9 s LYS 11 Cb -0.05 0.49 -0.05 0.00 -0.52 0.00 0.00 37.83 37.70 3is9 s LYS 11 CO 0.17 -0.52 0.41 -0.51 -0.92 0.00 0.00 175.35 173.97 3is9 s LEU 12 N -2.87 4.22 0.37 3.17 1.43 -1.26 -2.17 118.68 121.56 3is9 s LEU 12 Ca 0.08 0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 53.46 3is9 s LEU 12 Cb 0.00 -3.27 -0.14 0.00 0.03 0.00 0.00 46.19 42.81 3is9 s LEU 12 CO -0.05 -0.03 0.44 0.29 0.23 0.00 0.00 176.35 177.23 3is9 n LYS 13 N -0.42 0.36 -1.73 1.70 5.02 -0.39 -4.68 118.16 118.01 3is9 n LYS 13 Ca -0.03 0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 3is9 n LYS 13 Cb 0.53 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 34.23 3is9 n LYS 13 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3is9 n PRO 14 N 0.89 2.68 -0.10 1.97 -0.04 -1.26 -2.31 135.00 136.84 3is9 n PRO 14 Ca 0.12 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.54 3is9 n PRO 14 Cb 0.36 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 3is9 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3is9 n GLY 15 N 2.91 2.44 4.02 0.55 0.00 -1.26 -5.02 105.19 108.82 3is9 n GLY 15 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 3is9 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3is9 s MET 16 N -0.12 1.98 0.25 1.61 -1.94 -0.98 -5.14 119.30 114.96 3is9 s MET 16 Ca 0.00 -1.41 0.01 0.00 -1.71 0.00 0.00 55.69 52.58 3is9 s MET 16 Cb 0.00 -2.50 -0.05 0.00 2.01 0.00 0.00 34.83 34.30 3is9 s MET 16 CO 0.00 -1.16 0.11 0.34 -0.01 0.00 0.00 175.02 174.30 3is9 s ASP 17 N -4.71 1.02 0.68 3.03 3.68 -1.26 -4.93 116.67 114.18 3is9 s ASP 17 Ca 0.64 -1.40 -0.14 0.00 2.13 0.00 0.00 52.55 53.78 3is9 s ASP 17 Cb -0.05 0.22 0.01 0.00 -1.45 0.00 0.00 42.92 41.65 3is9 s ASP 17 CO 0.42 -0.76 1.12 -0.83 0.13 0.00 0.00 175.17 175.24 3is9 s GLY 18 N -3.29 2.11 0.60 2.66 0.00 -1.26 -4.93 107.32 103.21 3is9 s GLY 18 Ca 0.38 0.55 -0.19 0.00 0.00 0.00 0.00 44.72 45.45 3is9 s GLY 18 CO 0.14 0.91 1.28 2.56 0.00 0.00 0.00 173.10 177.98 3is9 s PRO 19 N -4.18 2.88 -0.32 2.90 0.04 -1.26 -4.99 135.00 130.07 3is9 s PRO 19 Ca 0.67 2.02 0.18 0.00 0.04 0.00 0.00 61.00 63.91 3is9 s PRO 19 Cb -0.21 -2.00 0.46 0.00 0.04 0.00 0.00 34.50 32.79 3is9 s PRO 19 CO 0.44 -1.33 0.95 1.63 0.04 0.00 0.00 177.00 178.73 3is9 n LYS 20 N -1.52 1.15 -2.93 4.56 4.76 -1.26 -2.84 118.16 120.08 3is9 n LYS 20 Ca 0.13 -3.25 -0.33 0.00 -2.87 0.00 0.00 58.31 52.00 3is9 n LYS 20 Cb 0.48 -1.24 -0.07 0.00 -1.84 0.00 0.00 35.03 32.36 3is9 n LYS 20 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3is9 s VAL 21 N -3.12 4.48 0.50 -0.18 1.01 -1.05 -4.91 120.40 117.14 3is9 s VAL 21 Ca 0.27 1.31 -0.18 0.00 0.00 0.00 0.00 61.98 63.38 3is9 s VAL 21 Cb 0.46 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 3is9 s VAL 21 CO 0.04 -0.27 1.01 -1.59 0.00 0.00 0.00 175.10 174.29 3is9 s LYS 22 N -3.10 3.84 0.10 2.72 -2.85 -1.26 -4.56 119.74 114.62 3is9 s LYS 22 Ca 0.59 1.17 -0.21 0.00 -1.00 0.00 0.00 55.97 56.52 3is9 s LYS 22 Cb -0.10 -2.11 -0.07 0.00 -2.06 0.00 0.00 37.83 33.49 3is9 s LYS 22 CO 0.15 -0.38 0.62 -1.14 0.10 0.00 0.00 175.35 174.70 3is9 s GLN 23 N -3.62 4.29 0.13 1.78 2.00 -1.26 -4.56 119.66 118.43 3is9 s GLN 23 Ca 0.63 0.84 -0.30 0.00 -2.00 0.00 0.00 55.36 54.53 3is9 s GLN 23 Cb -0.13 -3.25 -0.06 0.00 0.80 0.00 0.00 33.01 30.37 3is9 s GLN 23 CO 0.25 0.62 0.98 -1.58 -0.50 0.00 0.00 175.29 175.06 3is9 s TRP 24 N -1.11 3.79 -0.30 1.67 0.52 -1.26 -4.98 118.94 117.28 3is9 s TRP 24 Ca 0.31 1.78 -0.28 0.00 0.02 0.00 0.00 56.10 57.92 3is9 s TRP 24 Cb -0.20 -3.09 -0.03 0.00 -1.15 0.00 0.00 33.47 29.00 3is9 s TRP 24 CO 0.21 0.09 1.96 -1.25 0.02 0.00 0.00 176.95 177.98 3is9 s PRO 25 N -0.15 3.22 0.29 4.98 0.04 -1.26 -4.93 135.00 137.19 3is9 s PRO 25 Ca 0.47 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 3is9 s PRO 25 Cb -0.25 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 29.98 3is9 s PRO 25 CO 0.31 -1.99 0.52 -0.51 0.04 0.00 0.00 177.00 175.36 3is9 s LEU 26 N 7.55 4.07 0.60 -3.56 1.43 -1.26 -5.08 118.68 122.44 3is9 s LEU 26 Ca 0.87 0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 54.37 3is9 s LEU 26 Cb -0.26 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 3is9 s LEU 26 CO 0.34 -0.20 1.05 0.42 0.23 0.00 0.00 176.35 178.19 3is9 s THR 27 N -2.13 3.88 0.34 5.49 -4.23 -1.26 -4.87 115.64 112.86 3is9 s THR 27 Ca 0.41 0.85 0.08 0.00 -1.18 0.00 0.00 61.69 61.85 3is9 s THR 27 Cb -0.10 -3.40 0.32 0.00 1.34 0.00 0.00 72.50 70.65 3is9 s THR 27 CO 0.32 -0.56 1.85 -0.08 -0.54 0.00 0.00 174.62 175.61 3is9 h GLU 28 N 0.30 0.72 -0.28 3.99 4.81 -1.98 -1.75 114.58 120.39 3is9 h GLU 28 Ca -0.46 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 3is9 h GLU 28 Cb 1.22 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3is9 h GLU 28 CO 0.57 0.48 0.07 1.05 -0.73 0.00 0.00 179.01 180.45 3is9 h GLU 29 N 0.74 0.45 -0.73 1.92 4.11 -2.01 -2.98 114.58 116.07 3is9 h GLU 29 Ca 0.47 -0.11 0.02 0.00 0.07 0.00 0.00 59.36 59.81 3is9 h GLU 29 Cb 0.71 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 3is9 h GLU 29 CO -0.23 0.54 0.47 0.87 0.07 0.00 0.00 179.01 180.73 3is9 h LYS 30 N 0.28 0.92 -0.40 1.06 1.57 -1.71 -2.95 116.57 115.34 3is9 h LYS 30 Ca 0.09 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3is9 h LYS 30 Cb 0.29 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 3is9 h LYS 30 CO 0.00 0.61 0.12 0.82 -0.57 0.00 0.00 179.45 180.42 3is9 h ILE 31 N 0.95 0.84 -0.85 1.86 1.08 -1.29 -1.31 117.51 118.79 3is9 h ILE 31 Ca 0.28 -0.09 0.03 0.00 -0.39 0.00 0.00 64.86 64.69 3is9 h ILE 31 Cb -0.05 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.21 3is9 h ILE 31 CO -0.08 0.05 0.55 0.11 -0.69 0.00 0.00 178.15 178.08 3is9 h LYS 32 N 0.26 1.03 0.36 2.37 1.57 -1.38 -0.31 116.57 120.48 3is9 h LYS 32 Ca 0.19 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3is9 h LYS 32 Cb 0.20 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3is9 h LYS 32 CO -0.22 0.68 -0.28 0.00 -0.57 0.00 0.00 179.45 179.07 3is9 h ALA 33 N 1.35 -0.64 -0.79 3.86 0.00 -1.22 0.22 119.26 122.03 3is9 h ALA 33 Ca 0.33 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.21 3is9 h ALA 33 Cb -0.00 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3is9 h ALA 33 CO -0.11 -0.89 0.46 -0.07 0.00 0.00 0.00 179.25 178.64 3is9 h LEU 34 N -0.65 0.68 -0.68 0.00 3.38 -0.87 0.88 115.31 118.05 3is9 h LEU 34 Ca -0.03 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3is9 h LEU 34 Cb 0.56 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3is9 h LEU 34 CO -0.01 0.41 0.35 0.58 0.09 0.00 0.00 178.44 179.87 3is9 h VAL 35 N 0.81 1.22 -0.00 1.22 2.07 -0.72 0.75 116.25 121.60 3is9 h VAL 35 Ca 0.37 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3is9 h VAL 35 Cb 0.27 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3is9 h VAL 35 CO -0.21 0.25 0.00 -0.08 0.02 0.00 0.00 177.57 177.55 3is9 h GLU 36 N 0.94 0.01 0.77 1.57 4.81 0.23 -1.26 114.58 121.64 3is9 h GLU 36 Ca 0.24 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3is9 h GLU 36 Cb 0.08 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.46 3is9 h GLU 36 CO -0.03 0.04 -0.37 0.82 -0.73 0.00 0.00 179.01 178.74 3is9 h ILE 37 N -0.04 0.23 -0.01 2.32 2.04 -0.24 -2.82 117.51 118.99 3is9 h ILE 37 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3is9 h ILE 37 Cb 0.04 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3is9 h ILE 37 CO -0.00 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.20 3is9 h THR 39 N 0.00 1.34 -0.04 0.00 2.02 -0.97 -2.60 112.91 112.65 3is9 h THR 39 Ca 0.01 -1.63 -0.08 0.00 0.77 0.00 0.00 66.41 65.48 3is9 h THR 39 Cb 0.10 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 3is9 h THR 39 CO -0.00 0.50 -0.28 1.05 0.37 0.00 0.00 175.52 177.16 3is9 h GLU 40 N 0.22 0.26 -0.97 6.66 4.11 -1.25 -3.06 114.58 120.56 3is9 h GLU 40 Ca 0.00 -0.23 0.20 0.00 0.07 0.00 0.00 59.36 59.40 3is9 h GLU 40 Cb 0.99 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.19 3is9 h GLU 40 CO 0.08 0.89 0.61 0.52 0.07 0.00 0.00 179.01 181.18 3is9 h MET 41 N -0.28 0.60 -0.27 1.06 2.86 -1.43 0.60 114.93 118.06 3is9 h MET 41 Ca -0.02 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 3is9 h MET 41 Cb 0.95 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3is9 h MET 41 CO 0.06 0.40 -0.22 1.49 1.06 0.00 0.00 176.91 179.70 3is9 h GLU 42 N 0.62 0.51 0.27 1.72 4.81 -1.45 -1.42 114.58 119.63 3is9 h GLU 42 Ca 0.54 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 3is9 h GLU 42 Cb 1.03 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3is9 h GLU 42 CO -0.29 0.70 -0.13 0.87 -0.73 0.00 0.00 179.01 179.42 3is9 h LYS 43 N 0.45 -0.35 -0.21 1.92 1.79 0.18 -2.71 116.57 117.64 3is9 h LYS 43 Ca 0.07 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.63 3is9 h LYS 43 Cb 0.63 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 3is9 h LYS 43 CO 0.04 -0.07 0.32 0.93 -1.08 0.00 0.00 179.45 179.59 3is9 h GLU 44 N -0.61 0.00 0.00 3.15 5.08 -0.68 -3.45 114.58 118.07 3is9 h GLU 44 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3is9 h GLU 44 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3is9 h GLU 44 CO 0.06 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.48 3is9 n GLY 45 N -1.37 2.79 0.42 -3.84 0.00 -0.79 -5.00 105.19 97.40 3is9 n GLY 45 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 3is9 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3is9 h LYS 46 N 1.68 -0.06 -5.17 1.61 6.56 -1.53 -3.42 116.57 116.25 3is9 h LYS 46 Ca 0.00 0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.91 3is9 h LYS 46 Cb 0.00 0.01 -0.13 0.00 -0.57 0.00 0.00 32.23 31.54 3is9 h LYS 46 CO 0.00 -0.04 -0.51 0.96 -2.06 0.00 0.00 179.45 177.80 3is9 s ILE 47 N -5.58 1.09 -0.23 1.86 -4.36 -1.20 -0.66 121.20 112.12 3is9 s ILE 47 Ca -0.13 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.04 3is9 s ILE 47 Cb 0.12 -2.11 0.06 0.00 1.25 0.00 0.00 42.46 41.78 3is9 s ILE 47 CO 0.63 0.00 0.64 -0.44 0.24 0.00 0.00 174.94 176.01 3is9 s SER 48 N -3.88 -0.66 0.30 4.36 0.01 -0.65 -4.40 113.70 108.78 3is9 s SER 48 Ca 0.04 1.26 -0.29 0.00 1.31 0.00 0.00 55.95 58.27 3is9 s SER 48 Cb 0.01 1.27 -0.10 0.00 0.21 0.00 0.00 66.02 67.41 3is9 s SER 48 CO 0.02 -0.24 1.28 -0.54 0.41 0.00 0.00 173.24 174.18 3is9 s LYS 49 N 0.27 4.40 0.40 12.44 1.02 -1.26 -1.74 119.74 135.28 3is9 s LYS 49 Ca -0.00 2.13 0.07 0.00 0.02 0.00 0.00 55.97 58.19 3is9 s LYS 49 Cb -0.04 -3.11 -0.07 0.00 -0.52 0.00 0.00 37.83 34.09 3is9 s LYS 49 CO 0.01 -0.14 0.06 0.96 -0.92 0.00 0.00 175.35 175.31 3is9 s ILE 50 N -0.92 2.16 0.00 2.17 -4.36 -1.16 -4.93 121.20 114.16 3is9 s ILE 50 Ca 0.50 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.97 3is9 s ILE 50 Cb -0.38 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.37 3is9 s ILE 50 CO 0.49 -0.03 0.00 0.61 0.24 0.00 0.00 174.94 176.25 3is9 n GLY 51 N -1.04 0.76 0.02 6.27 0.00 -1.26 -4.65 105.19 105.29 3is9 n GLY 51 Ca -0.04 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.28 3is9 n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3is9 n PRO 52 N 0.00 0.06 0.18 1.61 -0.04 -1.26 -4.22 135.00 131.33 3is9 n PRO 52 Ca 0.00 0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.33 3is9 n PRO 52 Cb 0.00 -1.56 -0.09 0.00 -0.04 0.00 0.00 33.50 31.81 3is9 n PRO 52 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3is9 h GLU 53 N 0.00 -0.79 -6.03 0.54 3.07 -2.03 -3.41 114.58 105.93 3is9 h GLU 53 Ca 0.00 0.05 -0.74 0.00 -0.50 0.00 0.00 59.36 58.17 3is9 h GLU 53 Cb 0.56 0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 3is9 h GLU 53 CO 0.00 -0.52 1.19 -1.71 -1.40 0.00 0.00 179.01 176.56 3is9 n ASN 54 N -5.51 1.62 -0.25 1.42 2.85 -1.26 -4.79 115.26 109.34 3is9 n ASN 54 Ca -0.09 0.74 0.13 0.00 -0.11 0.00 0.00 54.58 55.24 3is9 n ASN 54 Cb 0.42 -1.07 0.35 0.00 1.24 0.00 0.00 39.78 40.72 3is9 n ASN 54 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3is9 n PRO 55 N 6.87 0.84 -3.19 1.20 -0.04 -1.26 -4.93 135.00 134.49 3is9 n PRO 55 Ca 0.41 -0.51 -0.33 0.00 -0.04 0.00 0.00 63.50 63.03 3is9 n PRO 55 Cb 0.08 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 3is9 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3is9 s TYR 56 N -2.51 3.47 -0.22 0.54 2.02 -1.26 -4.83 117.35 114.56 3is9 s TYR 56 Ca 0.24 1.19 -0.19 0.00 -0.37 0.00 0.00 57.07 57.93 3is9 s TYR 56 Cb 0.19 -2.50 0.06 0.00 -0.40 0.00 0.00 41.96 39.31 3is9 s TYR 56 CO 0.53 0.21 0.57 1.21 -1.57 0.00 0.00 175.55 176.50 3is9 s ASN 57 N -2.09 -0.61 -0.08 2.29 2.47 -1.13 -4.57 114.94 111.22 3is9 s ASN 57 Ca 0.49 1.16 0.03 0.00 0.42 0.00 0.00 52.86 54.96 3is9 s ASN 57 Cb -0.12 1.16 0.01 0.00 -1.45 0.00 0.00 41.25 40.85 3is9 s ASN 57 CO 0.19 -0.20 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.32 3is9 s THR 58 N 0.43 1.44 0.31 -5.21 2.01 -0.45 -2.53 115.64 111.64 3is9 s THR 58 Ca -0.01 -0.65 -0.27 0.00 0.31 0.00 0.00 61.69 61.07 3is9 s THR 58 Cb -0.04 -1.29 -0.14 0.00 0.01 0.00 0.00 72.50 71.04 3is9 s THR 58 CO -0.01 0.42 0.84 -2.65 -0.69 0.00 0.00 174.62 172.53 3is9 n PRO 59 N 3.78 0.98 -4.52 4.92 -0.02 -1.26 -4.44 135.00 134.44 3is9 n PRO 59 Ca -0.21 0.35 -0.21 0.00 -2.02 0.00 0.00 63.50 61.40 3is9 n PRO 59 Cb 0.52 -1.66 -0.14 0.00 -0.02 0.00 0.00 33.50 32.20 3is9 n PRO 59 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3is9 s VAL 60 N -1.15 1.05 0.22 -1.45 0.11 -1.26 -1.85 120.40 116.07 3is9 s VAL 60 Ca 0.61 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.98 3is9 s VAL 60 Cb -0.70 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.19 3is9 s VAL 60 CO 0.59 0.20 0.06 -0.36 -3.33 0.00 0.00 175.10 172.26 3is9 s PHE 61 N -0.47 1.37 0.00 1.54 0.40 0.48 -4.79 117.98 116.50 3is9 s PHE 61 Ca 0.04 -1.14 0.01 0.00 -0.60 0.00 0.00 56.93 55.25 3is9 s PHE 61 Cb -0.06 -0.78 -0.01 0.00 0.51 0.00 0.00 43.02 42.68 3is9 s PHE 61 CO 0.00 -0.32 -0.05 0.00 0.70 0.00 0.00 175.22 175.56 3is9 s ALA 62 N -3.76 0.38 -0.02 5.36 0.00 -1.26 -0.02 121.76 122.44 3is9 s ALA 62 Ca 0.32 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.99 3is9 s ALA 62 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.12 3is9 s ALA 62 CO 0.10 0.07 0.12 0.42 0.00 0.00 0.00 175.76 176.47 3is9 s ILE 63 N -0.24 0.05 -0.36 0.00 1.01 -1.18 -4.99 121.20 115.49 3is9 s ILE 63 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 3is9 s ILE 63 Cb -0.03 -0.31 0.01 0.00 0.01 0.00 0.00 42.46 42.14 3is9 s ILE 63 CO -0.00 -0.23 0.22 -0.75 0.00 0.00 0.00 174.94 174.19 3is9 s LYS 64 N -0.75 3.08 -0.36 2.79 2.20 -1.26 -3.13 119.74 122.31 3is9 s LYS 64 Ca -0.08 -0.92 -0.28 0.00 -0.36 0.00 0.00 55.97 54.33 3is9 s LYS 64 Cb -0.05 -3.76 -0.02 0.00 -1.51 0.00 0.00 37.83 32.48 3is9 s LYS 64 CO 0.01 -0.61 1.86 0.21 -0.36 0.00 0.00 175.35 176.46 3is9 s LYS 65 N 1.62 3.20 -0.12 4.03 2.20 -1.26 -4.88 119.74 124.53 3is9 s LYS 65 Ca 0.04 1.38 -0.34 0.00 -0.36 0.00 0.00 55.97 56.69 3is9 s LYS 65 Cb -0.18 -4.25 -0.12 0.00 -1.51 0.00 0.00 37.83 31.77 3is9 s LYS 65 CO 0.08 -2.03 1.90 1.63 -0.36 0.00 0.00 175.35 176.57 3is9 n LYS 66 N 8.56 2.05 -1.85 4.03 5.02 -1.26 -2.17 118.16 132.53 3is9 n LYS 66 Ca 0.24 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 3is9 n LYS 66 Cb 0.47 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 3is9 n LYS 66 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3is9 n ASP 67 N 6.88 -1.19 -3.59 4.39 8.00 -1.26 -5.06 116.55 124.72 3is9 n ASP 67 Ca 0.24 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.59 3is9 n ASP 67 Cb 0.28 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.90 3is9 n ASP 67 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3is9 s SER 68 N -2.84 -0.48 0.54 -2.24 0.01 -0.92 -5.19 113.70 102.59 3is9 s SER 68 Ca 0.00 0.35 -0.05 0.00 1.31 0.00 0.00 55.95 57.57 3is9 s SER 68 Cb 0.00 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 3is9 s SER 68 CO 0.00 -0.63 0.84 -0.89 0.41 0.00 0.00 173.24 172.97 3is9 s THR 69 N -1.80 4.07 0.00 1.44 2.01 -1.26 -4.58 115.64 115.52 3is9 s THR 69 Ca -0.09 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.92 3is9 s THR 69 Cb -0.01 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.92 3is9 s THR 69 CO 0.04 -0.57 0.00 1.17 -0.69 0.00 0.00 174.62 174.57 3is9 n LYS 70 N -2.43 0.00 -4.14 4.92 4.81 -1.26 -4.87 118.16 115.19 3is9 n LYS 70 Ca 0.03 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.37 3is9 n LYS 70 Cb 0.57 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.52 3is9 n LYS 70 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 3is9 s TRP 71 N 0.00 0.77 -0.03 5.64 0.52 -1.26 -4.62 118.94 119.97 3is9 s TRP 71 Ca 0.00 -0.93 -0.00 0.00 0.02 0.00 0.00 56.10 55.19 3is9 s TRP 71 Cb 0.00 -0.47 0.03 0.00 -1.15 0.00 0.00 33.47 31.88 3is9 s TRP 71 CO 0.00 -0.21 0.03 0.50 0.02 0.00 0.00 176.95 177.29 3is9 s ARG 72 N -3.70 0.04 0.74 4.98 3.52 -1.18 -4.99 118.95 118.35 3is9 s ARG 72 Ca 0.09 0.21 -0.14 0.00 -0.13 0.00 0.00 55.73 55.76 3is9 s ARG 72 Cb 0.05 -0.38 0.04 0.00 -1.56 0.00 0.00 34.95 33.11 3is9 s ARG 72 CO -0.06 -0.20 1.16 0.21 -0.81 0.00 0.00 175.30 175.60 3is9 s LYS 73 N 1.35 2.19 -0.23 5.12 2.20 -1.26 -3.12 119.74 125.99 3is9 s LYS 73 Ca -0.05 1.56 -0.04 0.00 -0.36 0.00 0.00 55.97 57.08 3is9 s LYS 73 Cb -0.13 -1.86 0.12 0.00 -1.51 0.00 0.00 37.83 34.45 3is9 s LYS 73 CO -0.03 -1.76 0.38 -1.17 -0.36 0.00 0.00 175.35 172.41 3is9 s LEU 74 N -5.35 -0.61 0.16 5.43 1.98 0.97 -4.94 118.68 116.31 3is9 s LEU 74 Ca 0.70 0.38 -0.08 0.00 -2.89 0.00 0.00 54.13 52.24 3is9 s LEU 74 Cb -0.24 1.13 -0.06 0.00 0.66 0.00 0.00 46.19 47.68 3is9 s LEU 74 CO 0.47 -0.28 0.45 -0.69 -1.89 0.00 0.00 176.35 174.41 3is9 s VAL 75 N 2.55 5.04 -0.63 1.68 1.01 -1.26 -0.39 120.40 128.40 3is9 s VAL 75 Ca 0.09 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 3is9 s VAL 75 Cb -0.15 -3.64 0.16 0.00 0.00 0.00 0.00 36.38 32.76 3is9 s VAL 75 CO -0.15 0.08 0.45 -0.62 0.00 0.00 0.00 175.10 174.86 3is9 s ASP 76 N -2.18 5.24 -0.03 3.32 2.15 -0.77 -4.92 116.67 119.49 3is9 s ASP 76 Ca 0.41 -2.88 0.06 0.00 0.43 0.00 0.00 52.55 50.57 3is9 s ASP 76 Cb -0.12 -1.86 0.22 0.00 -0.30 0.00 0.00 42.92 40.86 3is9 s ASP 76 CO 0.21 -0.36 1.06 0.49 -0.17 0.00 0.00 175.17 176.40 3is9 n PHE 77 N 3.45 0.43 -0.33 -5.34 3.01 -1.26 -4.28 117.46 113.14 3is9 n PHE 77 Ca 0.08 -0.18 0.31 0.00 1.01 0.00 0.00 57.45 58.67 3is9 n PHE 77 Cb 0.38 -0.08 0.54 0.00 -0.01 0.00 0.00 39.48 40.31 3is9 n PHE 77 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3is9 n ARG 78 N 0.18 -0.04 0.03 -1.08 3.00 -1.26 0.20 116.66 117.68 3is9 n ARG 78 Ca 0.08 1.15 -0.09 0.00 -0.00 0.00 0.00 57.85 58.99 3is9 n ARG 78 Cb 0.32 -2.14 -0.13 0.00 0.00 0.00 0.00 32.46 30.51 3is9 n ARG 78 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3is9 h GLU 79 N 0.00 0.03 0.00 -0.14 4.57 -2.00 -3.01 114.58 114.03 3is9 h GLU 79 Ca 0.75 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.77 3is9 h GLU 79 Cb 2.16 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.76 3is9 h GLU 79 CO -0.55 0.81 -0.49 1.25 -1.18 0.00 0.00 179.01 178.84 3is9 h LEU 80 N 0.01 0.00 -0.16 1.64 5.85 0.20 -3.11 115.31 119.74 3is9 h LEU 80 Ca -0.15 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.43 3is9 h LEU 80 Cb 1.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.93 3is9 h LEU 80 CO 0.11 0.49 -0.43 0.78 -0.34 0.00 0.00 178.44 179.05 3is9 h ASN 81 N 0.00 0.66 0.27 1.25 2.35 0.35 -1.91 115.58 118.56 3is9 h ASN 81 Ca -0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 3is9 h ASN 81 Cb 1.21 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.38 3is9 h ASN 81 CO 0.06 1.12 0.00 0.29 -1.65 0.00 0.00 177.43 177.26 3is9 n LYS 82 N -4.24 0.07 0.00 0.81 5.02 -1.14 -1.97 118.16 116.70 3is9 n LYS 82 Ca -0.07 0.26 0.02 0.00 -2.02 0.00 0.00 58.31 56.50 3is9 n LYS 82 Cb 0.56 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.08 3is9 n LYS 82 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3is9 n ARG 83 N -1.40 -0.38 -3.46 1.97 1.74 -1.10 -4.95 116.66 109.09 3is9 n ARG 83 Ca 0.04 -0.71 -0.34 0.00 -0.77 0.00 0.00 57.85 56.07 3is9 n ARG 83 Cb 0.10 -1.06 -0.05 0.00 -1.02 0.00 0.00 32.46 30.42 3is9 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3is9 s THR 84 N -0.33 4.97 1.06 0.55 2.01 -0.74 -1.26 115.64 121.91 3is9 s THR 84 Ca 0.04 0.54 -0.18 0.00 0.31 0.00 0.00 61.69 62.41 3is9 s THR 84 Cb 0.03 -3.66 0.27 0.00 0.01 0.00 0.00 72.50 69.15 3is9 s THR 84 CO 0.05 0.12 0.62 0.00 -0.69 0.00 0.00 174.62 174.72 3is9 n GLN 85 N 0.42 -4.01 -3.79 4.92 10.64 -0.92 -4.42 117.38 120.21 3is9 n GLN 85 Ca -0.04 -1.04 -0.33 0.00 -1.83 0.00 0.00 57.00 53.76 3is9 n GLN 85 Cb 0.52 -1.37 -0.05 0.00 -0.86 0.00 0.00 30.24 28.48 3is9 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3is9 s ASP 86 N -2.76 6.45 0.14 2.61 -0.00 -1.26 -4.94 116.67 116.91 3is9 s ASP 86 Ca 0.48 0.48 0.10 0.00 -0.00 0.00 0.00 52.55 53.62 3is9 s ASP 86 Cb -0.08 -2.05 -0.04 0.00 -0.00 0.00 0.00 42.92 40.74 3is9 s ASP 86 CO 0.40 0.20 -0.24 -0.36 -0.00 0.00 0.00 175.17 175.17 3is9 s PHE 87 N -1.41 2.15 -0.99 4.23 0.40 -1.26 -5.05 117.98 116.05 3is9 s PHE 87 Ca 0.31 -0.39 -0.24 0.00 -0.60 0.00 0.00 56.93 56.02 3is9 s PHE 87 Cb -0.13 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.22 3is9 s PHE 87 CO 0.20 0.34 1.87 -0.46 0.70 0.00 0.00 175.22 177.87 3is9 s TRP 88 N -1.27 1.97 -0.52 0.36 -0.11 -1.26 -4.89 118.94 113.22 3is9 s TRP 88 Ca 0.14 0.31 -0.27 0.00 1.22 0.00 0.00 56.10 57.50 3is9 s TRP 88 Cb -0.09 -4.15 -0.03 0.00 -1.50 0.00 0.00 33.47 27.70 3is9 s TRP 88 CO 0.06 -1.66 1.97 -1.21 -4.62 0.00 0.00 176.95 171.49 3is9 s GLU 89 N 6.52 2.68 -0.11 5.86 0.41 -1.26 -4.75 118.70 128.05 3is9 s GLU 89 Ca 0.66 0.98 0.11 0.00 -0.41 0.00 0.00 54.97 56.31 3is9 s GLU 89 Cb -0.04 -4.39 0.52 0.00 -1.78 0.00 0.00 34.13 28.44 3is9 s GLU 89 CO 0.01 -2.64 1.35 1.55 -0.49 0.00 0.00 175.26 175.04 3is9 n VAL 90 N 7.43 1.50 0.63 2.63 3.14 -1.26 -3.86 118.33 128.54 3is9 n VAL 90 Ca 0.24 -0.86 0.09 0.00 -2.96 0.00 0.00 64.34 60.86 3is9 n VAL 90 Cb 0.51 -0.15 0.25 0.00 -1.06 0.00 0.00 33.84 33.40 3is9 n VAL 90 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 3is9 n GLN 91 N 0.58 2.07 -1.59 1.45 0.00 -1.26 -4.88 117.38 113.75 3is9 n GLN 91 Ca 0.18 -1.65 -0.22 0.00 -0.00 0.00 0.00 57.00 55.31 3is9 n GLN 91 Cb 0.75 -1.40 -0.05 0.00 0.00 0.00 0.00 30.24 29.54 3is9 n GLN 91 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 3is9 s LEU 92 N -1.20 3.07 0.12 1.69 0.05 -1.25 -4.61 118.68 116.54 3is9 s LEU 92 Ca 0.33 0.39 0.00 0.00 0.05 0.00 0.00 54.13 54.90 3is9 s LEU 92 Cb 0.18 -2.53 0.00 0.00 -2.05 0.00 0.00 46.19 41.78 3is9 s LEU 92 CO 0.24 -3.47 0.00 0.61 -0.55 0.00 0.00 176.35 173.18 3is9 n GLY 93 N 6.51 -3.35 3.93 -3.48 0.00 -1.26 -5.06 105.19 102.48 3is9 n GLY 93 Ca 0.43 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.19 3is9 n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3is9 s ILE 94 N -2.29 2.80 1.20 -0.61 -0.00 -1.26 -5.11 121.20 115.93 3is9 s ILE 94 Ca 0.00 -1.21 -0.13 0.00 -0.00 0.00 0.00 60.65 59.31 3is9 s ILE 94 Cb 0.00 -3.00 0.30 0.00 -0.00 0.00 0.00 42.46 39.75 3is9 s ILE 94 CO 0.00 -0.00 0.96 -2.65 -0.00 0.00 0.00 174.94 173.25 3is9 n PRO 95 N -1.66 -2.61 -4.91 0.37 -0.02 -1.26 -5.03 135.00 119.88 3is9 n PRO 95 Ca 0.05 -0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 60.47 3is9 n PRO 95 Cb 0.61 -2.13 -0.15 0.00 -0.02 0.00 0.00 33.50 31.80 3is9 n PRO 95 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3is9 s HIS 96 N -2.38 2.73 0.31 6.00 2.46 -1.26 -5.01 115.29 118.14 3is9 s HIS 96 Ca 0.68 -0.71 0.07 0.00 0.47 0.00 0.00 55.06 55.57 3is9 s HIS 96 Cb -0.25 -1.79 0.88 0.00 -0.13 0.00 0.00 32.58 31.29 3is9 s HIS 96 CO 0.66 -0.23 1.62 -1.35 -2.47 0.00 0.00 174.74 172.96 3is9 h PRO 97 N 6.58 0.14 -0.03 2.88 0.11 -1.97 0.98 132.00 140.69 3is9 h PRO 97 Ca -0.26 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.85 3is9 h PRO 97 Cb 1.21 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3is9 h PRO 97 CO 0.53 0.09 0.14 0.00 -0.21 0.00 0.00 178.00 178.55 3is9 h ALA 98 N 1.88 1.25 0.00 -0.75 0.00 -1.81 0.19 119.26 120.02 3is9 h ALA 98 Ca 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.55 3is9 h ALA 98 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3is9 h ALA 98 CO -0.73 -0.15 -0.51 0.41 0.00 0.00 0.00 179.25 178.26 3is9 n GLY 99 N -1.18 -1.46 3.76 0.00 0.00 0.34 -3.57 105.19 103.07 3is9 n GLY 99 Ca -0.02 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 3is9 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3is9 s LEU 100 N -4.22 4.52 -0.18 0.99 1.43 0.66 -4.72 118.68 117.16 3is9 s LEU 100 Ca 0.07 2.31 -0.08 0.00 -1.03 0.00 0.00 54.13 55.40 3is9 s LEU 100 Cb 0.13 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 3is9 s LEU 100 CO 0.70 -0.22 0.08 -0.75 0.23 0.00 0.00 176.35 176.39 3is9 s LYS 101 N -1.30 3.97 0.52 1.70 2.20 -1.26 -1.65 119.74 123.92 3is9 s LYS 101 Ca 0.46 -0.30 -0.23 0.00 -0.36 0.00 0.00 55.97 55.55 3is9 s LYS 101 Cb -0.33 -3.26 -0.06 0.00 -1.51 0.00 0.00 37.83 32.68 3is9 s LYS 101 CO 0.42 0.33 1.38 -1.59 -0.36 0.00 0.00 175.35 175.53 3is9 s LYS 102 N 0.22 3.27 -0.03 4.03 -2.85 -1.26 -5.00 119.74 118.12 3is9 s LYS 102 Ca 0.06 2.29 0.03 0.00 -1.00 0.00 0.00 55.97 57.34 3is9 s LYS 102 Cb -0.12 -2.36 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 3is9 s LYS 102 CO -0.00 -1.10 -0.10 0.15 0.10 0.00 0.00 175.35 174.39 3is9 s LYS 103 N -2.80 1.11 0.30 1.78 -0.14 -1.26 -4.98 119.74 113.76 3is9 s LYS 103 Ca 0.69 -0.34 0.05 0.00 -1.36 0.00 0.00 55.97 55.01 3is9 s LYS 103 Cb -0.41 -1.02 0.73 0.00 -1.68 0.00 0.00 37.83 35.45 3is9 s LYS 103 CO 0.50 0.11 1.75 0.87 -0.76 0.00 0.00 175.35 177.82 3is9 h LYS 104 N 6.45 0.60 -4.51 1.68 1.57 -1.82 -3.41 116.57 117.12 3is9 h LYS 104 Ca -0.33 -0.04 -0.35 0.00 -1.87 0.00 0.00 60.65 58.06 3is9 h LYS 104 Cb 1.17 -0.13 -0.28 0.00 0.08 0.00 0.00 32.23 33.06 3is9 h LYS 104 CO 0.48 0.40 -0.76 -1.12 -0.57 0.00 0.00 179.45 177.87 3is9 s SER 105 N -5.32 0.83 -0.15 0.86 0.01 -0.06 -5.02 113.70 104.86 3is9 s SER 105 Ca -0.11 -0.14 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 3is9 s SER 105 Cb 0.25 -0.09 0.06 0.00 0.21 0.00 0.00 66.02 66.46 3is9 s SER 105 CO 0.79 0.08 0.14 -0.69 0.41 0.00 0.00 173.24 173.96 3is9 s VAL 106 N -0.21 -0.19 0.39 3.43 1.01 -1.26 -0.88 120.40 122.68 3is9 s VAL 106 Ca 0.02 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.09 3is9 s VAL 106 Cb -0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 3is9 s VAL 106 CO -0.00 -0.13 0.47 -0.89 0.00 0.00 0.00 175.10 174.55 3is9 s THR 107 N 2.23 3.29 -0.08 3.92 2.01 0.14 -4.96 115.64 122.18 3is9 s THR 107 Ca 0.04 -1.11 -0.02 0.00 0.31 0.00 0.00 61.69 60.91 3is9 s THR 107 Cb -0.15 -3.13 0.03 0.00 0.01 0.00 0.00 72.50 69.27 3is9 s THR 107 CO -0.09 -0.06 0.03 -0.69 -0.69 0.00 0.00 174.62 173.12 3is9 s VAL 108 N -2.32 0.20 -0.06 3.82 1.01 -1.26 -2.09 120.40 119.70 3is9 s VAL 108 Ca 0.49 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 3is9 s VAL 108 Cb -0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3is9 s VAL 108 CO 0.31 0.15 0.12 -0.76 0.00 0.00 0.00 175.10 174.92 3is9 s LEU 109 N 2.04 4.16 -0.47 3.92 1.43 -0.72 -4.96 118.68 124.08 3is9 s LEU 109 Ca 0.04 0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 53.32 3is9 s LEU 109 Cb -0.13 -2.22 0.08 0.00 0.03 0.00 0.00 46.19 43.95 3is9 s LEU 109 CO -0.05 0.34 0.38 -0.62 0.23 0.00 0.00 176.35 176.62 3is9 s ASP 110 N -1.40 6.04 -0.19 2.29 -1.08 -1.26 -1.54 116.67 119.52 3is9 s ASP 110 Ca 0.20 -1.43 0.16 0.00 -0.52 0.00 0.00 52.55 50.96 3is9 s ASP 110 Cb -0.12 -2.14 0.74 0.00 -1.46 0.00 0.00 42.92 39.93 3is9 s ASP 110 CO 0.10 -0.65 1.66 1.33 0.52 0.00 0.00 175.17 178.13 3is9 n VAL 111 N 5.14 2.41 0.30 1.11 0.24 0.29 -4.15 118.33 123.68 3is9 n VAL 111 Ca -0.12 -1.42 0.20 0.00 -2.04 0.00 0.00 64.34 60.96 3is9 n VAL 111 Cb 0.43 -0.15 1.06 0.00 -1.47 0.00 0.00 33.84 33.71 3is9 n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3is9 h GLY 112 N 3.62 0.00 -4.07 7.63 0.00 -1.84 -2.30 103.07 106.11 3is9 h GLY 112 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 3is9 h GLY 112 CO 0.37 0.00 -0.16 1.34 0.00 0.00 0.00 176.54 178.09 3is9 n ASP 113 N -2.90 5.58 0.00 0.19 -0.08 -1.26 -2.74 116.55 115.34 3is9 n ASP 113 Ca -0.02 -2.67 0.00 0.00 -1.51 0.00 0.00 54.79 50.59 3is9 n ASP 113 Cb 0.08 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.19 3is9 n ASP 113 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3is9 n ALA 114 N 2.00 0.02 0.29 -1.67 0.00 -0.86 -3.90 120.51 116.39 3is9 n ALA 114 Ca 0.42 0.00 0.18 0.00 0.00 0.00 0.00 53.44 54.04 3is9 n ALA 114 Cb 0.80 0.00 0.89 0.00 0.00 0.00 0.00 19.45 21.14 3is9 n ALA 114 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3is9 h TYR 115 N 0.00 0.00 0.00 0.00 3.20 -1.65 -0.32 116.97 118.20 3is9 h TYR 115 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3is9 h TYR 115 Cb 0.00 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 3is9 h TYR 115 CO 0.00 0.00 -1.68 1.19 -1.64 0.00 0.00 178.16 176.03 3is9 n PHE 116 N -3.13 0.00 1.74 -3.82 0.99 -1.26 -4.36 117.46 107.61 3is9 n PHE 116 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.47 3is9 n PHE 116 Cb 0.34 -0.35 0.10 0.00 -1.00 0.00 0.00 39.48 38.57 3is9 n PHE 116 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3is9 n SER 117 N -2.04 0.45 -4.31 4.37 7.64 -0.16 -4.63 113.62 114.95 3is9 n SER 117 Ca -0.04 -1.93 -0.39 0.00 1.01 0.00 0.00 58.87 57.52 3is9 n SER 117 Cb 0.42 -0.05 -0.11 0.00 -1.01 0.00 0.00 64.21 63.45 3is9 n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3is9 s VAL 118 N -1.89 4.16 1.03 0.44 1.01 -1.06 -4.91 120.40 119.17 3is9 s VAL 118 Ca 0.09 -1.11 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 3is9 s VAL 118 Cb 0.04 -3.39 0.09 0.00 0.00 0.00 0.00 36.38 33.12 3is9 s VAL 118 CO 0.06 -0.28 0.38 -0.81 0.00 0.00 0.00 175.10 174.45 3is9 n PRO 119 N 4.90 -0.97 -4.32 2.72 -0.04 -1.26 -2.88 135.00 133.14 3is9 n PRO 119 Ca -0.12 -0.25 -0.25 0.00 -0.04 0.00 0.00 63.50 62.85 3is9 n PRO 119 Cb 0.45 -1.87 -0.09 0.00 -0.04 0.00 0.00 33.50 31.95 3is9 n PRO 119 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3is9 s LEU 120 N -2.16 3.00 0.11 1.53 2.96 -0.93 -4.45 118.68 118.74 3is9 s LEU 120 Ca 0.58 -0.68 -0.31 0.00 -0.22 0.00 0.00 54.13 53.50 3is9 s LEU 120 Cb -0.18 -1.59 -0.11 0.00 0.50 0.00 0.00 46.19 44.81 3is9 s LEU 120 CO 0.66 0.05 1.85 -0.67 -1.32 0.00 0.00 176.35 176.92 3is9 n ASP 121 N -0.47 4.05 -0.10 3.68 4.64 -1.26 -4.88 116.55 122.21 3is9 n ASP 121 Ca -0.08 0.98 -0.10 0.00 -1.38 0.00 0.00 54.79 54.21 3is9 n ASP 121 Cb 0.58 -1.54 -0.07 0.00 -1.04 0.00 0.00 41.12 39.04 3is9 n ASP 121 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 3is9 h GLU 122 N 8.74 -0.28 0.00 -0.67 4.57 -1.97 -0.26 114.58 124.71 3is9 h GLU 122 Ca -0.47 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3is9 h GLU 122 Cb 1.22 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3is9 h GLU 122 CO 0.95 -0.19 0.00 -0.25 -1.18 0.00 0.00 179.01 178.34 3is9 n ASP 123 N -4.67 0.00 -0.10 1.04 8.00 -1.26 -2.55 116.55 117.02 3is9 n ASP 123 Ca -0.03 0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 3is9 n ASP 123 Cb 0.25 -0.18 -0.16 0.00 -0.02 0.00 0.00 41.12 41.01 3is9 n ASP 123 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3is9 n PHE 124 N -1.18 0.00 -0.33 1.24 7.35 -0.15 -4.56 117.46 119.84 3is9 n PHE 124 Ca 0.04 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.91 3is9 n PHE 124 Cb 0.04 -0.97 0.35 0.00 0.35 0.00 0.00 39.48 39.25 3is9 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3is9 h ARG 125 N 0.00 0.05 0.00 -4.13 3.08 -1.16 0.27 114.38 112.49 3is9 h ARG 125 Ca -0.52 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3is9 h ARG 125 Cb 2.19 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.22 3is9 h ARG 125 CO 0.03 0.03 0.30 0.36 -1.07 0.00 0.00 179.97 179.62 3is9 n LYS 126 N -5.38 0.07 0.00 0.04 2.85 -1.26 0.33 118.16 114.81 3is9 n LYS 126 Ca 0.26 0.50 0.12 0.00 -1.05 0.00 0.00 58.31 58.14 3is9 n LYS 126 Cb 0.85 -2.01 0.23 0.00 -0.65 0.00 0.00 35.03 33.45 3is9 n LYS 126 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3is9 n TYR 127 N -1.86 0.00 0.26 5.58 4.01 0.96 -3.96 117.16 122.14 3is9 n TYR 127 Ca -0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.82 3is9 n TYR 127 Cb 0.31 -0.01 0.15 0.00 -0.31 0.00 0.00 39.34 39.48 3is9 n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3is9 n THR 128 N 0.55 0.47 -1.56 -0.72 -2.24 0.15 -4.82 114.28 106.11 3is9 n THR 128 Ca 0.14 -0.73 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 3is9 n THR 128 Cb 0.48 0.96 -0.00 0.00 -2.10 0.00 0.00 70.33 69.67 3is9 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3is9 n ALA 129 N 1.04 -0.49 -3.12 6.98 0.00 -1.24 -4.40 120.51 119.27 3is9 n ALA 129 Ca 0.14 0.29 -0.12 0.00 0.00 0.00 0.00 53.44 53.75 3is9 n ALA 129 Cb 0.48 -1.97 -0.06 0.00 0.00 0.00 0.00 19.45 17.90 3is9 n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3is9 s PHE 130 N -1.22 -0.23 -0.09 0.00 -0.12 0.70 -1.35 117.98 115.68 3is9 s PHE 130 Ca 0.61 0.15 0.04 0.00 -0.05 0.00 0.00 56.93 57.69 3is9 s PHE 130 Cb -0.64 0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 41.94 3is9 s PHE 130 CO 0.58 -0.57 -0.22 0.99 -0.05 0.00 0.00 175.22 175.95 3is9 s THR 131 N -2.63 2.27 -0.46 -4.49 2.01 -1.26 -0.90 115.64 110.18 3is9 s THR 131 Ca -0.04 -0.97 -0.20 0.00 0.31 0.00 0.00 61.69 60.80 3is9 s THR 131 Cb -0.01 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.67 3is9 s THR 131 CO -0.04 0.56 0.60 -0.63 -0.69 0.00 0.00 174.62 174.42 3is9 s ILE 132 N 0.09 4.89 0.58 1.82 -1.09 0.09 -4.80 121.20 122.78 3is9 s ILE 132 Ca -0.10 -0.17 -0.20 0.00 -2.23 0.00 0.00 60.65 57.94 3is9 s ILE 132 Cb -0.16 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 3is9 s ILE 132 CO 0.06 -0.63 1.32 -2.16 -1.23 0.00 0.00 174.94 172.30 3is9 s PRO 133 N 2.63 2.97 0.35 2.79 0.04 -1.26 -1.25 135.00 141.27 3is9 s PRO 133 Ca 0.18 2.15 -0.07 0.00 0.04 0.00 0.00 61.00 63.29 3is9 s PRO 133 Cb -0.16 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 3is9 s PRO 133 CO 0.16 -1.30 0.66 -1.54 0.04 0.00 0.00 177.00 175.02 3is9 s SER 134 N -1.14 6.47 0.24 6.66 1.04 -1.26 -4.85 113.70 120.86 3is9 s SER 134 Ca 0.75 0.91 -0.31 0.00 0.48 0.00 0.00 55.95 57.78 3is9 s SER 134 Cb -0.39 -2.23 -0.13 0.00 0.10 0.00 0.00 66.02 63.38 3is9 s SER 134 CO 0.44 -0.31 1.57 -0.38 0.98 0.00 0.00 173.24 175.54 3is9 n ILE 135 N -1.18 0.65 -0.86 -1.02 -0.00 -1.26 -0.92 119.36 114.77 3is9 n ILE 135 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 62.75 62.59 3is9 n ILE 135 Cb 0.54 -1.77 0.00 0.00 -0.00 0.00 0.00 39.64 38.41 3is9 n ILE 135 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 3is9 n ASN 136 N 2.70 -4.68 -4.21 4.38 3.02 -1.26 -3.42 115.26 111.80 3is9 n ASN 136 Ca 0.12 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.32 3is9 n ASN 136 Cb 0.34 -3.17 -0.06 0.00 -0.61 0.00 0.00 39.78 36.27 3is9 n ASN 136 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3is9 n ASN 137 N -0.65 -0.61 -0.73 6.41 6.94 -0.09 -4.80 115.26 121.72 3is9 n ASN 137 Ca 0.00 -1.25 0.06 0.00 -0.02 0.00 0.00 54.58 53.37 3is9 n ASN 137 Cb 0.39 -1.53 0.19 0.00 -2.36 0.00 0.00 39.78 36.46 3is9 n ASN 137 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3is9 n GLU 138 N -4.63 2.91 -3.86 -3.83 1.02 -1.22 -4.97 120.64 106.06 3is9 n GLU 138 Ca -0.25 -2.29 -0.09 0.00 -0.02 0.00 0.00 57.16 54.50 3is9 n GLU 138 Cb 0.63 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 3is9 n GLU 138 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3is9 s THR 139 N -1.53 0.09 0.04 2.62 -4.23 -1.26 -5.13 115.64 106.24 3is9 s THR 139 Ca 0.29 -1.15 -0.30 0.00 -1.18 0.00 0.00 61.69 59.35 3is9 s THR 139 Cb 0.19 -1.54 -0.05 0.00 1.34 0.00 0.00 72.50 72.44 3is9 s THR 139 CO 0.14 -0.42 1.16 -2.84 -0.54 0.00 0.00 174.62 172.12 3is9 s PRO 140 N -3.90 4.45 0.66 3.99 0.02 -1.26 -4.54 135.00 134.42 3is9 s PRO 140 Ca 0.10 1.70 -0.17 0.00 0.02 0.00 0.00 61.00 62.64 3is9 s PRO 140 Cb 0.03 -3.39 -0.01 0.00 0.02 0.00 0.00 34.50 31.16 3is9 s PRO 140 CO -0.06 -0.24 1.15 0.41 -0.33 0.00 0.00 177.00 177.93 3is9 n GLY 141 N 3.17 0.13 3.68 0.52 0.00 -1.26 -4.76 105.19 106.68 3is9 n GLY 141 Ca 0.09 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3is9 n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3is9 s ILE 142 N -1.54 4.30 0.21 -0.61 -1.09 -0.38 -4.76 121.20 117.33 3is9 s ILE 142 Ca 0.79 1.62 -0.14 0.00 -2.23 0.00 0.00 60.65 60.69 3is9 s ILE 142 Cb -0.38 -4.04 -0.08 0.00 -1.58 0.00 0.00 42.46 36.39 3is9 s ILE 142 CO 0.44 -0.02 0.61 -0.13 -1.23 0.00 0.00 174.94 174.62 3is9 s ARG 143 N 2.32 3.99 0.13 2.79 1.81 -1.26 -0.73 118.95 128.00 3is9 s ARG 143 Ca 0.55 0.53 -0.11 0.00 -1.72 0.00 0.00 55.73 54.99 3is9 s ARG 143 Cb -0.24 -2.77 0.00 0.00 -0.45 0.00 0.00 34.95 31.50 3is9 s ARG 143 CO 0.21 0.37 0.28 0.71 -0.68 0.00 0.00 175.30 176.19 3is9 s TYR 144 N -1.65 0.16 0.05 -0.53 1.51 -0.08 -2.97 117.35 113.84 3is9 s TYR 144 Ca 0.44 -0.55 -0.13 0.00 -1.01 0.00 0.00 57.07 55.82 3is9 s TYR 144 Cb -0.14 0.03 0.02 0.00 -0.11 0.00 0.00 41.96 41.76 3is9 s TYR 144 CO 0.20 -0.66 0.30 1.14 -1.11 0.00 0.00 175.55 175.41 3is9 s GLN 145 N -3.89 0.81 0.43 -0.62 -2.07 -0.71 -0.22 119.66 113.40 3is9 s GLN 145 Ca 0.09 -0.54 -0.16 0.00 -1.82 0.00 0.00 55.36 52.94 3is9 s GLN 145 Cb 0.03 0.35 -0.08 0.00 -1.09 0.00 0.00 33.01 32.22 3is9 s GLN 145 CO -0.07 -0.26 0.88 0.71 -1.32 0.00 0.00 175.29 175.23 3is9 s TYR 146 N -2.65 3.41 0.00 9.60 2.02 -1.26 -1.64 117.35 126.83 3is9 s TYR 146 Ca -0.04 1.35 0.00 0.00 -0.37 0.00 0.00 57.07 58.01 3is9 s TYR 146 Cb -0.01 -2.68 0.00 0.00 -0.40 0.00 0.00 41.96 38.88 3is9 s TYR 146 CO -0.04 -0.16 0.41 0.09 -1.57 0.00 0.00 175.55 174.28 3is9 n ASN 147 N -1.08 0.82 -3.59 2.29 3.02 0.16 -4.69 115.26 112.19 3is9 n ASN 147 Ca 0.05 -0.94 -0.20 0.00 -0.03 0.00 0.00 54.58 53.46 3is9 n ASN 147 Cb 0.54 0.10 -0.08 0.00 -0.61 0.00 0.00 39.78 39.73 3is9 n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3is9 s VAL 148 N -0.10 0.11 -0.38 2.41 -7.23 -1.22 -2.19 120.40 111.79 3is9 s VAL 148 Ca 0.00 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.89 3is9 s VAL 148 Cb 0.00 -2.47 -0.00 0.00 0.56 0.00 0.00 36.38 34.46 3is9 s VAL 148 CO 0.00 0.00 1.60 -0.76 -0.31 0.00 0.00 175.10 175.63 3is9 s LEU 149 N -3.39 3.53 0.77 1.32 1.43 -1.14 -4.59 118.68 116.61 3is9 s LEU 149 Ca 0.37 1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 54.36 3is9 s LEU 149 Cb 0.03 -3.49 0.06 0.00 0.03 0.00 0.00 46.19 42.82 3is9 s LEU 149 CO 0.24 -1.59 1.21 -2.84 0.23 0.00 0.00 176.35 173.59 3is9 s PRO 150 N 5.34 1.88 -0.37 1.29 0.02 -1.26 -4.78 135.00 137.11 3is9 s PRO 150 Ca 0.70 1.77 -0.26 0.00 0.02 0.00 0.00 61.00 63.22 3is9 s PRO 150 Cb -0.18 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.56 3is9 s PRO 150 CO 0.33 -2.04 0.94 -0.65 -0.33 0.00 0.00 177.00 175.25 3is9 s GLN 151 N -4.03 3.84 0.00 5.54 -1.52 -1.26 -3.51 119.66 118.73 3is9 s GLN 151 Ca 0.74 0.60 0.00 0.00 -1.95 0.00 0.00 55.36 54.74 3is9 s GLN 151 Cb -0.29 -3.80 0.00 0.00 -0.22 0.00 0.00 33.01 28.69 3is9 s GLN 151 CO 0.48 -0.96 0.00 0.41 -0.25 0.00 0.00 175.29 174.97 3is9 n GLY 152 N 4.38 0.84 3.73 3.09 0.00 -1.26 -4.72 105.19 111.25 3is9 n GLY 152 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3is9 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3is9 s TRP 153 N -2.08 3.56 0.09 1.61 -0.00 -1.23 -4.77 118.94 116.12 3is9 s TRP 153 Ca 0.00 1.54 -0.14 0.00 -0.00 0.00 0.00 56.10 57.50 3is9 s TRP 153 Cb 0.00 -3.30 0.01 0.00 -0.00 0.00 0.00 33.47 30.17 3is9 s TRP 153 CO 0.00 -0.73 0.76 1.17 -0.00 0.00 0.00 176.95 178.15 3is9 n LYS 154 N 2.74 -0.19 -0.55 5.86 4.81 -1.26 -1.69 118.16 127.88 3is9 n LYS 154 Ca 0.04 0.75 0.05 0.00 -0.87 0.00 0.00 58.31 58.28 3is9 n LYS 154 Cb 0.46 -1.10 0.26 0.00 0.02 0.00 0.00 35.03 34.68 3is9 n LYS 154 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3is9 n GLY 155 N -1.15 2.31 0.25 3.14 0.00 -1.26 -4.44 105.19 104.03 3is9 n GLY 155 Ca 0.02 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 3is9 n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3is9 h SER 156 N 2.70 0.96 -0.16 1.61 0.02 -1.62 -2.07 113.55 115.00 3is9 h SER 156 Ca 0.00 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.40 3is9 h SER 156 Cb 1.37 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3is9 h SER 156 CO 0.28 1.31 0.04 -0.65 -1.14 0.00 0.00 176.83 176.67 3is9 h PRO 157 N 0.65 0.26 -0.25 3.45 0.11 -1.80 -0.73 132.00 133.69 3is9 h PRO 157 Ca 0.02 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.08 3is9 h PRO 157 Cb 1.14 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3is9 h PRO 157 CO 0.12 0.41 0.12 0.00 -0.21 0.00 0.00 178.00 178.44 3is9 h ALA 158 N 0.84 0.30 -0.07 -0.75 0.00 -1.84 -2.00 119.26 115.74 3is9 h ALA 158 Ca 0.05 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3is9 h ALA 158 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3is9 h ALA 158 CO 0.00 -0.28 -0.47 0.82 0.00 0.00 0.00 179.25 179.32 3is9 h ILE 159 N 0.26 1.34 0.02 0.00 2.04 -1.35 -2.64 117.51 117.17 3is9 h ILE 159 Ca 0.10 -1.66 -0.00 0.00 1.00 0.00 0.00 64.86 64.30 3is9 h ILE 159 Cb 0.03 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3is9 h ILE 159 CO -0.07 0.49 -0.01 0.15 0.00 0.00 0.00 178.15 178.71 3is9 h PHE 160 N 0.14 -0.02 -0.72 1.37 3.04 -0.87 -2.25 116.94 117.63 3is9 h PHE 160 Ca 0.01 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.97 3is9 h PHE 160 Cb 0.89 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.37 3is9 h PHE 160 CO 0.01 0.40 0.48 1.96 -2.02 0.00 0.00 178.31 179.14 3is9 h GLN 161 N -0.45 0.94 -0.18 1.11 1.08 -1.41 -0.04 115.11 116.17 3is9 h GLN 161 Ca -0.00 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3is9 h GLN 161 Cb 0.43 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 3is9 h GLN 161 CO 0.00 0.62 0.02 0.66 -0.95 0.00 0.00 178.83 179.19 3is9 h SER 162 N 0.97 -0.02 -0.24 1.46 4.64 -1.46 0.13 113.55 119.03 3is9 h SER 162 Ca 0.27 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 3is9 h SER 162 Cb -0.10 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3is9 h SER 162 CO -0.06 0.02 0.11 0.28 -0.87 0.00 0.00 176.83 176.31 3is9 h SER 163 N 0.09 0.32 -0.32 4.97 0.02 -0.96 -1.99 113.55 115.68 3is9 h SER 163 Ca 0.08 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 60.95 3is9 h SER 163 Cb 0.09 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 3is9 h SER 163 CO -0.12 0.37 0.04 -0.03 -1.14 0.00 0.00 176.83 175.95 3is9 h MET 164 N 0.26 0.14 0.07 3.45 -1.53 -0.76 -2.06 114.93 114.50 3is9 h MET 164 Ca 0.08 -0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.36 3is9 h MET 164 Cb 0.13 -0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.11 3is9 h MET 164 CO -0.01 0.09 -0.30 1.15 0.14 0.00 0.00 176.91 177.98 3is9 h THR 165 N 0.15 0.34 -0.86 -0.77 2.02 -0.75 0.46 112.91 113.50 3is9 h THR 165 Ca 0.15 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.51 3is9 h THR 165 Cb 0.18 0.34 -0.11 0.00 -1.74 0.00 0.00 68.15 66.83 3is9 h THR 165 CO -0.22 0.00 0.40 0.50 0.37 0.00 0.00 175.52 176.57 3is9 h LYS 166 N -0.50 0.50 -0.35 6.66 3.64 -1.05 0.67 116.57 126.14 3is9 h LYS 166 Ca 0.04 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 3is9 h LYS 166 Cb 0.55 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3is9 h LYS 166 CO -0.21 0.33 -0.39 0.82 -2.27 0.00 0.00 179.45 177.73 3is9 h ILE 167 N 0.51 1.28 -0.17 2.00 2.04 -0.86 -3.22 117.51 119.09 3is9 h ILE 167 Ca 0.50 -1.57 -0.18 0.00 1.00 0.00 0.00 64.86 64.61 3is9 h ILE 167 Cb 0.81 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 3is9 h ILE 167 CO -0.43 0.52 -0.63 -0.07 0.00 0.00 0.00 178.15 177.53 3is9 h LEU 168 N 0.68 0.72 -0.66 1.44 3.38 0.14 -3.37 115.31 117.64 3is9 h LEU 168 Ca 0.06 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.67 3is9 h LEU 168 Cb 0.96 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 3is9 h LEU 168 CO 0.09 1.17 -0.37 1.21 0.09 0.00 0.00 178.44 180.63 3is9 n GLU 169 N -3.94 -0.27 -0.24 1.13 2.13 0.21 -0.57 120.64 119.08 3is9 n GLU 169 Ca -0.04 1.00 -0.03 0.00 0.66 0.00 0.00 57.16 58.75 3is9 n GLU 169 Cb 0.66 -1.47 0.09 0.00 0.27 0.00 0.00 31.44 30.98 3is9 n GLU 169 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3is9 h PRO 170 N 0.00 0.78 0.34 5.31 0.11 -1.77 -1.31 132.00 135.47 3is9 h PRO 170 Ca 0.12 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3is9 h PRO 170 Cb 0.29 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3is9 h PRO 170 CO -0.63 0.52 -0.28 0.35 -0.21 0.00 0.00 178.00 177.75 3is9 h PHE 171 N 0.80 -0.73 -0.89 0.65 3.57 -1.05 -1.84 116.94 117.44 3is9 h PHE 171 Ca 0.29 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.89 3is9 h PHE 171 Cb 0.08 0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.02 3is9 h PHE 171 CO -0.05 -0.41 0.53 0.00 -2.23 0.00 0.00 178.31 176.15 3is9 h ALA 172 N -0.06 1.30 -0.30 2.41 0.00 -1.20 -1.89 119.26 119.52 3is9 h ALA 172 Ca -0.03 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3is9 h ALA 172 Cb 0.55 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3is9 h ALA 172 CO -0.02 0.15 0.10 0.00 0.00 0.00 0.00 179.25 179.49 3is9 h ALA 173 N 1.49 0.34 -0.32 0.00 0.00 -0.84 -2.21 119.26 117.72 3is9 h ALA 173 Ca 0.43 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3is9 h ALA 173 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3is9 h ALA 173 CO -0.25 -0.30 0.00 1.04 0.00 0.00 0.00 179.25 179.73 3is9 n GLN 174 N -5.03 2.63 -3.09 0.00 6.02 -0.73 -4.30 117.38 112.88 3is9 n GLN 174 Ca -0.00 -1.52 -0.19 0.00 -0.01 0.00 0.00 57.00 55.28 3is9 n GLN 174 Cb 0.11 -1.70 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 3is9 n GLN 174 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3is9 n ASN 175 N 0.41 -0.32 0.04 1.08 3.02 -0.77 -4.96 115.26 113.76 3is9 n ASN 175 Ca 0.14 -2.95 0.02 0.00 -0.03 0.00 0.00 54.58 51.75 3is9 n ASN 175 Cb 0.60 -0.05 0.37 0.00 -0.61 0.00 0.00 39.78 40.09 3is9 n ASN 175 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3is9 h PRO 176 N 3.64 0.43 0.00 3.52 0.11 -1.75 -2.57 132.00 135.40 3is9 h PRO 176 Ca 0.03 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3is9 h PRO 176 Cb 0.95 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3is9 h PRO 176 CO 0.42 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.24 3is9 n ASP 177 N -4.35 0.00 -4.32 -2.05 5.75 -1.26 -4.73 116.55 105.59 3is9 n ASP 177 Ca 0.01 -0.62 -0.17 0.00 -0.01 0.00 0.00 54.79 54.00 3is9 n ASP 177 Cb 0.19 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.18 3is9 n ASP 177 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3is9 s ILE 178 N -2.00 1.49 -0.13 2.12 -5.25 -0.97 -4.43 121.20 112.03 3is9 s ILE 178 Ca 0.21 -2.14 -0.01 0.00 -0.99 0.00 0.00 60.65 57.72 3is9 s ILE 178 Cb 0.10 -2.04 0.03 0.00 2.95 0.00 0.00 42.46 43.50 3is9 s ILE 178 CO 0.16 -0.59 -0.05 -0.69 -1.79 0.00 0.00 174.94 171.98 3is9 s VAL 179 N -3.13 0.92 -0.08 8.37 1.01 0.24 -4.98 120.40 122.76 3is9 s VAL 179 Ca 0.22 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 3is9 s VAL 179 Cb 0.01 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3is9 s VAL 179 CO 0.05 0.25 0.04 -0.63 0.00 0.00 0.00 175.10 174.81 3is9 s ILE 180 N 1.73 4.61 -0.08 2.22 1.01 -1.26 -1.07 121.20 128.37 3is9 s ILE 180 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 3is9 s ILE 180 Cb -0.14 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.38 3is9 s ILE 180 CO -0.08 0.58 -0.03 -0.47 0.00 0.00 0.00 174.94 174.94 3is9 s TYR 181 N -0.95 0.98 -0.14 3.97 5.04 0.11 -4.98 117.35 121.38 3is9 s TYR 181 Ca 0.15 -0.38 -0.00 0.00 -2.44 0.00 0.00 57.07 54.40 3is9 s TYR 181 Cb -0.12 -0.94 -0.01 0.00 0.35 0.00 0.00 41.96 41.24 3is9 s TYR 181 CO 0.04 -0.38 -0.12 1.14 -1.34 0.00 0.00 175.55 174.89 3is9 s GLN 182 N 1.75 3.37 -0.30 4.97 -2.07 -1.26 -0.33 119.66 125.79 3is9 s GLN 182 Ca 0.03 -0.68 -0.12 0.00 -1.82 0.00 0.00 55.36 52.77 3is9 s GLN 182 Cb -0.13 -2.67 0.15 0.00 -1.09 0.00 0.00 33.01 29.28 3is9 s GLN 182 CO -0.06 0.16 0.80 -0.47 -1.32 0.00 0.00 175.29 174.41 3is9 s TYR 183 N 0.49 -1.05 0.00 9.60 5.04 -1.18 -5.06 117.35 125.18 3is9 s TYR 183 Ca -0.09 1.77 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 3is9 s TYR 183 Cb -0.16 0.61 0.00 0.00 0.35 0.00 0.00 41.96 42.76 3is9 s TYR 183 CO 0.04 -0.53 0.00 -1.33 -1.34 0.00 0.00 175.55 172.40 3is9 n MET 184 N 5.25 0.00 0.01 4.97 2.81 -1.26 -3.13 117.12 125.77 3is9 n MET 184 Ca -0.10 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 55.93 3is9 n MET 184 Cb 0.51 0.00 0.54 0.00 -0.71 0.00 0.00 33.22 33.56 3is9 n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3is9 n ASP 185 N 1.93 0.16 -4.50 7.83 9.92 -1.26 -4.81 116.55 125.82 3is9 n ASP 185 Ca 0.00 0.41 -0.30 0.00 -0.53 0.00 0.00 54.79 54.37 3is9 n ASP 185 Cb 0.00 -0.42 -0.11 0.00 -0.64 0.00 0.00 41.12 39.94 3is9 n ASP 185 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3is9 s ASP 186 N -3.18 3.97 -0.20 -2.24 1.01 -1.18 -0.55 116.67 114.30 3is9 s ASP 186 Ca 0.13 -0.47 0.01 0.00 0.71 0.00 0.00 52.55 52.93 3is9 s ASP 186 Cb 0.18 -0.64 0.04 0.00 1.01 0.00 0.00 42.92 43.52 3is9 s ASP 186 CO 0.56 0.21 -0.09 -0.76 0.21 0.00 0.00 175.17 175.30 3is9 s LEU 187 N -1.89 2.21 -0.27 1.23 1.43 -0.59 -3.09 118.68 117.70 3is9 s LEU 187 Ca 0.17 -0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 52.24 3is9 s LEU 187 Cb -0.11 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 3is9 s LEU 187 CO 0.09 -0.16 0.42 -0.31 0.23 0.00 0.00 176.35 176.62 3is9 s TYR 188 N 1.43 3.25 -0.09 0.29 1.51 0.55 -1.76 117.35 122.52 3is9 s TYR 188 Ca -0.01 0.47 0.04 0.00 -1.01 0.00 0.00 57.07 56.55 3is9 s TYR 188 Cb -0.16 -2.63 -0.00 0.00 -0.11 0.00 0.00 41.96 39.06 3is9 s TYR 188 CO -0.08 -0.26 -0.23 0.08 -1.11 0.00 0.00 175.55 173.95 3is9 s VAL 189 N 2.15 2.18 0.15 0.71 1.01 -0.89 0.05 120.40 125.76 3is9 s VAL 189 Ca 0.17 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3is9 s VAL 189 Cb -0.16 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3is9 s VAL 189 CO 0.10 0.56 0.03 -0.83 0.00 0.00 0.00 175.10 174.95 3is9 s GLY 190 N 0.23 1.09 -0.01 4.51 0.00 -0.23 0.24 107.32 113.14 3is9 s GLY 190 Ca -0.15 -1.52 -0.29 0.00 0.00 0.00 0.00 44.72 42.76 3is9 s GLY 190 CO 0.08 -1.44 1.00 -1.35 0.00 0.00 0.00 173.10 171.38 3is9 s SER 191 N -3.11 -0.26 -0.49 1.64 1.04 -0.06 -0.59 113.70 111.88 3is9 s SER 191 Ca 0.23 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.60 3is9 s SER 191 Cb 0.07 0.34 0.50 0.00 0.10 0.00 0.00 66.02 67.03 3is9 s SER 191 CO 0.02 -0.58 1.75 0.47 0.98 0.00 0.00 173.24 175.88 3is9 n ASP 192 N -0.28 5.49 -4.98 7.02 8.00 -1.26 -0.88 116.55 129.66 3is9 n ASP 192 Ca -0.06 -3.75 -0.20 0.00 0.71 0.00 0.00 54.79 51.49 3is9 n ASP 192 Cb 0.61 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 3is9 n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3is9 s LEU 193 N -3.59 3.86 0.43 0.64 1.43 -1.26 -4.83 118.68 115.36 3is9 s LEU 193 Ca 0.57 -0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.34 3is9 s LEU 193 Cb 0.47 -2.83 -0.11 0.00 0.03 0.00 0.00 46.19 43.74 3is9 s LEU 193 CO 0.02 -0.54 0.81 -0.62 0.23 0.00 0.00 176.35 176.26 3is9 n GLU 194 N -1.77 0.97 0.29 1.70 -0.58 -1.26 -4.67 120.64 115.32 3is9 n GLU 194 Ca 0.01 0.35 0.20 0.00 -0.42 0.00 0.00 57.16 57.30 3is9 n GLU 194 Cb 0.58 -1.81 1.04 0.00 -0.57 0.00 0.00 31.44 30.69 3is9 n GLU 194 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 3is9 h ILE 195 N 1.15 0.00 0.17 -3.67 6.09 -1.96 -1.05 117.51 118.24 3is9 h ILE 195 Ca -0.43 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.06 3is9 h ILE 195 Cb 1.37 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.51 3is9 h ILE 195 CO 0.54 0.00 -0.08 1.23 -3.07 0.00 0.00 178.15 176.77 3is9 h GLY 196 N 0.00 -0.24 1.12 8.18 0.00 -2.01 -3.05 103.07 107.08 3is9 h GLY 196 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3is9 h GLY 196 CO 0.00 -0.09 0.00 -1.06 0.00 0.00 0.00 176.54 175.39 3is9 n GLN 197 N -4.92 0.26 -0.06 4.80 6.02 -0.88 -2.68 117.38 119.92 3is9 n GLN 197 Ca -0.03 0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 56.96 3is9 n GLN 197 Cb 0.11 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.85 3is9 n GLN 197 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 3is9 n HIS 198 N -1.06 0.74 0.10 1.08 -0.00 -0.45 -3.32 115.22 112.31 3is9 n HIS 198 Ca 0.06 0.32 0.06 0.00 0.46 0.00 0.00 57.72 58.62 3is9 n HIS 198 Cb 0.04 -0.67 0.31 0.00 -0.12 0.00 0.00 29.99 29.54 3is9 n HIS 198 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3is9 n ARG 199 N -4.24 0.07 0.00 1.57 1.74 -1.15 -1.56 116.66 113.09 3is9 n ARG 199 Ca -0.06 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 3is9 n ARG 199 Cb 0.24 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 3is9 n ARG 199 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3is9 n THR 200 N -1.89 0.00 0.17 0.55 -1.04 -1.09 -2.68 114.28 108.30 3is9 n THR 200 Ca -0.01 0.82 0.09 0.00 -2.04 0.00 0.00 64.05 62.92 3is9 n THR 200 Cb 0.10 -1.75 0.49 0.00 -1.82 0.00 0.00 70.33 67.34 3is9 n THR 200 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3is9 h LYS 201 N 0.00 0.00 -0.02 -2.82 1.57 -1.34 0.19 116.57 114.15 3is9 h LYS 201 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3is9 h LYS 201 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 3is9 h LYS 201 CO 0.00 0.00 -0.38 0.82 -0.57 0.00 0.00 179.45 179.32 3is9 h ILE 202 N 0.00 1.48 -0.46 1.86 2.04 -1.33 -2.49 117.51 118.60 3is9 h ILE 202 Ca 0.00 -1.93 0.09 0.00 1.00 0.00 0.00 64.86 64.02 3is9 h ILE 202 Cb 0.35 2.59 -0.07 0.00 -0.74 0.00 0.00 36.82 38.95 3is9 h ILE 202 CO 0.00 0.55 0.01 -0.33 0.00 0.00 0.00 178.15 178.38 3is9 h GLU 203 N -0.28 0.12 -0.80 2.37 4.39 -0.40 0.15 114.58 120.13 3is9 h GLU 203 Ca -0.04 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.79 3is9 h GLU 203 Cb 1.09 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.63 3is9 h GLU 203 CO 0.08 0.08 0.38 0.93 -1.16 0.00 0.00 179.01 179.32 3is9 h GLU 204 N 0.12 0.55 0.74 2.33 5.08 -1.47 0.28 114.58 122.22 3is9 h GLU 204 Ca 0.23 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3is9 h GLU 204 Cb 0.33 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.46 3is9 h GLU 204 CO -0.37 0.36 -0.35 1.25 -1.00 0.00 0.00 179.01 178.90 3is9 h LEU 205 N 0.57 -0.84 -1.55 1.33 5.85 -0.32 0.60 115.31 120.94 3is9 h LEU 205 Ca 0.43 0.03 0.37 0.00 0.84 0.00 0.00 57.88 59.55 3is9 h LEU 205 Cb 0.60 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.75 3is9 h LEU 205 CO -0.36 -0.53 0.83 0.03 -0.34 0.00 0.00 178.44 178.07 3is9 h ARG 206 N -1.13 0.16 0.07 1.25 3.08 -0.41 0.56 114.38 117.96 3is9 h ARG 206 Ca -0.10 -0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.68 3is9 h ARG 206 Cb 0.76 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.80 3is9 h ARG 206 CO 0.17 0.11 -1.04 0.37 -1.07 0.00 0.00 179.97 178.51 3is9 h GLN 207 N 0.17 0.58 -0.75 0.04 -0.00 -0.10 -3.15 115.11 111.89 3is9 h GLN 207 Ca 0.70 -0.72 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3is9 h GLN 207 Cb 2.24 0.23 -0.04 0.00 0.00 0.00 0.00 27.48 29.90 3is9 h GLN 207 CO -0.26 1.31 0.46 1.25 0.00 0.00 0.00 178.83 181.58 3is9 h HIS 208 N 0.18 0.99 0.00 3.99 2.76 0.54 0.23 115.15 123.84 3is9 h HIS 208 Ca -0.15 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 3is9 h HIS 208 Cb 1.72 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 30.36 3is9 h HIS 208 CO 0.13 0.66 0.00 1.28 -1.30 0.00 0.00 177.93 178.69 3is9 n LEU 209 N -4.39 0.00 0.07 0.26 4.77 0.01 -2.46 117.00 115.27 3is9 n LEU 209 Ca 0.08 0.47 -0.18 0.00 -0.03 0.00 0.00 56.01 56.34 3is9 n LEU 209 Cb 0.07 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 3is9 n LEU 209 CO 0.37 -0.23 0.05 0.25 -1.33 0.00 0.00 177.39 176.50 3is9 h LEU 210 N 0.00 0.72 0.00 2.23 5.85 -0.49 -2.74 115.31 120.89 3is9 h LEU 210 Ca 0.00 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.09 3is9 h LEU 210 Cb 0.24 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3is9 h LEU 210 CO 0.00 1.44 0.00 0.54 -0.34 0.00 0.00 178.44 180.09 3is9 n ARG 211 N -3.76 0.00 0.00 1.25 3.00 -1.03 0.23 116.66 116.35 3is9 n ARG 211 Ca -0.10 0.03 0.00 0.00 -0.01 0.00 0.00 57.85 57.76 3is9 n ARG 211 Cb 0.92 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.88 3is9 n ARG 211 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 3is9 n TRP 212 N -0.96 0.00 0.00 -1.55 8.01 -1.21 -2.13 117.44 119.60 3is9 n TRP 212 Ca 0.00 -0.23 0.00 0.00 -1.31 0.00 0.00 57.50 55.96 3is9 n TRP 212 Cb 0.00 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.28 3is9 n TRP 212 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3is9 n GLY 213 N -0.23 1.42 2.97 6.99 0.00 0.63 -4.84 105.19 112.13 3is9 n GLY 213 Ca 0.00 -0.08 -0.54 0.00 0.00 0.00 0.00 46.02 45.40 3is9 n GLY 213 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3is9 n LEU 214 N 0.00 0.92 -4.79 0.99 4.77 -1.04 -4.77 117.00 113.09 3is9 n LEU 214 Ca 0.00 0.90 -0.37 0.00 -0.03 0.00 0.00 56.01 56.51 3is9 n LEU 214 Cb 0.00 -0.71 -0.07 0.00 -2.33 0.00 0.00 43.42 40.31 3is9 n LEU 214 CO 0.00 -0.67 -0.07 0.42 -1.33 0.00 0.00 177.39 175.74 3is9 s THR 215 N 2.79 5.34 -0.17 -5.08 -4.23 -1.25 -3.99 115.64 109.05 3is9 s THR 215 Ca 0.87 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.80 3is9 s THR 215 Cb -1.21 -3.54 0.01 0.00 1.34 0.00 0.00 72.50 69.09 3is9 s THR 215 CO 0.64 0.50 -0.16 0.42 -0.54 0.00 0.00 174.62 175.48 3is9 s THR 216 N -0.26 2.50 0.35 3.99 -4.23 -1.26 -4.60 115.64 112.12 3is9 s THR 216 Ca 0.16 -0.81 -0.23 0.00 -1.18 0.00 0.00 61.69 59.62 3is9 s THR 216 Cb -0.13 -2.06 -0.16 0.00 1.34 0.00 0.00 72.50 71.49 3is9 s THR 216 CO 0.04 0.51 0.21 -2.65 -0.54 0.00 0.00 174.62 172.19 3is9 n PRO 217 N 4.32 0.00 -0.84 3.99 -0.02 -1.26 -4.74 135.00 136.45 3is9 n PRO 217 Ca -0.20 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.20 3is9 n PRO 217 Cb 0.51 -1.00 -0.12 0.00 -0.02 0.00 0.00 33.50 32.87 3is9 n PRO 217 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3is9 n ASP 218 N 2.24 5.08 -4.72 2.55 8.00 -1.26 -4.91 116.55 123.53 3is9 n ASP 218 Ca 0.13 -2.42 -0.34 0.00 0.71 0.00 0.00 54.79 52.86 3is9 n ASP 218 Cb 0.36 -1.30 0.09 0.00 -0.02 0.00 0.00 41.12 40.25 3is9 n ASP 218 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3is9 s LYS 219 N 0.82 2.18 -0.06 -1.24 0.00 -1.26 -5.01 119.74 115.16 3is9 s LYS 219 Ca 0.48 1.77 -0.07 0.00 0.00 0.00 0.00 55.97 58.16 3is9 s LYS 219 Cb 0.23 -1.84 -0.02 0.00 0.00 0.00 0.00 37.83 36.20 3is9 s LYS 219 CO 0.00 -1.81 -0.14 1.17 0.00 0.00 0.00 175.35 174.58 3is9 n LYS 220 N -2.65 0.21 0.00 1.78 4.81 -1.26 -5.13 118.16 115.91 3is9 n LYS 220 Ca 0.14 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 3is9 n LYS 220 Cb 0.50 -0.83 0.00 0.00 0.02 0.00 0.00 35.03 34.72 3is9 n LYS 220 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3is9 n HIS 221 N -3.31 0.00 -1.91 5.64 8.25 -1.26 -5.03 115.22 117.60 3is9 n HIS 221 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3is9 n HIS 221 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3is9 n HIS 221 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3is9 n GLN 222 N -0.36 0.00 -3.91 -0.41 6.02 -1.26 -5.13 117.38 112.32 3is9 n GLN 222 Ca 0.00 -0.52 -0.10 0.00 -0.01 0.00 0.00 57.00 56.37 3is9 n GLN 222 Cb 0.00 -0.28 -0.06 0.00 1.02 0.00 0.00 30.24 30.92 3is9 n GLN 222 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3is9 s LYS 223 N 0.00 1.25 0.00 -1.09 0.00 -1.26 -5.16 119.74 113.48 3is9 s LYS 223 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 55.97 54.86 3is9 s LYS 223 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 37.83 38.25 3is9 s LYS 223 CO 0.00 -0.49 0.00 -0.85 0.00 0.00 0.00 175.35 174.01 3is9 n GLU 224 N -0.26 0.00 -0.75 1.78 0.28 -1.26 -5.14 120.64 115.29 3is9 n GLU 224 Ca -0.07 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.63 3is9 n GLU 224 Cb 0.63 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.46 3is9 n GLU 224 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 3is9 n PRO 225 N -0.04 0.00 -3.16 3.44 -0.02 -1.26 -4.25 135.00 129.70 3is9 n PRO 225 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 3is9 n PRO 225 Cb 0.00 -0.75 -0.06 0.00 -0.02 0.00 0.00 33.50 32.67 3is9 n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3is9 s PRO 226 N 0.00 4.22 -0.45 0.52 0.04 -1.26 -5.11 135.00 132.96 3is9 s PRO 226 Ca 0.46 0.56 -0.27 0.00 0.04 0.00 0.00 61.00 61.78 3is9 s PRO 226 Cb -0.64 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.31 3is9 s PRO 226 CO 0.29 -0.18 1.96 -0.06 0.04 0.00 0.00 177.00 179.04 3is9 s PHE 227 N 1.72 1.58 -0.68 0.56 2.99 0.46 -4.76 117.98 119.85 3is9 s PHE 227 Ca 0.28 0.84 -0.27 0.00 0.00 0.00 0.00 56.93 57.77 3is9 s PHE 227 Cb -0.16 -4.00 0.02 0.00 0.00 0.00 0.00 43.02 38.88 3is9 s PHE 227 CO 0.10 -2.73 1.35 -0.51 -0.00 0.00 0.00 175.22 173.44 3is9 s LEU 228 N 8.72 3.24 -0.06 -0.37 1.43 -1.26 -1.21 118.68 129.17 3is9 s LEU 228 Ca 0.80 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3is9 s LEU 228 Cb -0.19 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.36 3is9 s LEU 228 CO 0.28 -1.84 -0.06 0.86 0.23 0.00 0.00 176.35 175.81 3is9 s TRP 229 N 6.07 1.00 -1.14 0.29 -0.00 -1.19 -4.91 118.94 119.05 3is9 s TRP 229 Ca 0.42 -0.35 -0.29 0.00 -0.00 0.00 0.00 56.10 55.88 3is9 s TRP 229 Cb -0.09 -0.85 0.04 0.00 -0.00 0.00 0.00 33.47 32.58 3is9 s TRP 229 CO 0.18 -0.26 0.66 -1.33 -0.00 0.00 0.00 176.95 176.20 3is9 n MET 230 N 4.21 -0.43 -1.06 5.86 2.81 -1.26 -0.53 117.12 126.72 3is9 n MET 230 Ca -0.21 0.17 -0.02 0.00 -1.81 0.00 0.00 57.70 55.83 3is9 n MET 230 Cb 0.51 -2.37 -0.01 0.00 -0.71 0.00 0.00 33.22 30.64 3is9 n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3is9 n GLY 231 N -2.03 0.29 3.01 3.03 0.00 -1.26 -4.97 105.19 103.27 3is9 n GLY 231 Ca -0.15 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 3is9 n GLY 231 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3is9 n TYR 232 N -2.22 -0.24 -3.58 1.61 0.53 0.31 -2.13 117.16 111.44 3is9 n TYR 232 Ca -0.02 -1.91 -0.29 0.00 -1.02 0.00 0.00 57.90 54.66 3is9 n TYR 232 Cb 0.43 -0.33 -0.15 0.00 -1.03 0.00 0.00 39.34 38.26 3is9 n TYR 232 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 3is9 s GLU 233 N -3.71 0.28 0.16 -0.72 2.02 0.78 -3.20 118.70 114.32 3is9 s GLU 233 Ca 0.17 -0.62 -0.05 0.00 0.02 0.00 0.00 54.97 54.50 3is9 s GLU 233 Cb -0.01 -1.32 -0.06 0.00 0.10 0.00 0.00 34.13 32.84 3is9 s GLU 233 CO 0.11 -1.01 0.40 -0.51 0.02 0.00 0.00 175.26 174.27 3is9 s LEU 234 N 2.02 4.24 0.11 1.80 1.43 -0.35 -2.24 118.68 125.70 3is9 s LEU 234 Ca 0.09 0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 53.77 3is9 s LEU 234 Cb -0.16 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 3is9 s LEU 234 CO -0.34 0.02 0.10 -1.00 0.23 0.00 0.00 176.35 175.35 3is9 s HIS 235 N -1.71 0.59 0.28 0.29 3.76 0.24 -0.40 115.29 118.34 3is9 s HIS 235 Ca 0.42 -1.02 0.13 0.00 -0.15 0.00 0.00 55.06 54.44 3is9 s HIS 235 Cb -0.12 -0.32 0.73 0.00 1.11 0.00 0.00 32.58 33.97 3is9 s HIS 235 CO 0.25 -0.53 1.31 -1.35 -0.85 0.00 0.00 174.74 173.58 3is9 h PRO 236 N 2.86 0.00 0.00 8.40 0.11 -1.99 -3.13 132.00 138.25 3is9 h PRO 236 Ca -0.34 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.64 3is9 h PRO 236 Cb 1.19 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.18 3is9 h PRO 236 CO 0.58 0.00 -0.23 -0.40 -0.21 0.00 0.00 178.00 177.74 3is9 n ASP 237 N -2.24 -1.09 -3.63 -2.05 5.75 -1.26 -4.55 116.55 107.49 3is9 n ASP 237 Ca -0.01 -1.90 -0.03 0.00 -0.01 0.00 0.00 54.79 52.84 3is9 n ASP 237 Cb 0.48 0.45 -0.02 0.00 -1.03 0.00 0.00 41.12 41.00 3is9 n ASP 237 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3is9 s LYS 238 N 0.07 0.13 0.34 0.11 -2.85 -1.18 -4.50 119.74 111.86 3is9 s LYS 238 Ca 0.05 -0.04 -0.05 0.00 -1.00 0.00 0.00 55.97 54.92 3is9 s LYS 238 Cb 0.23 0.06 0.01 0.00 -2.06 0.00 0.00 37.83 36.07 3is9 s LYS 238 CO -0.07 -0.06 0.52 1.67 0.10 0.00 0.00 175.35 177.52 3is9 s TRP 239 N -2.05 0.88 0.00 1.78 1.48 0.25 -0.59 118.94 120.69 3is9 s TRP 239 Ca 0.10 -1.18 0.00 0.00 -1.06 0.00 0.00 56.10 53.96 3is9 s TRP 239 Cb -0.01 0.07 0.00 0.00 -1.16 0.00 0.00 33.47 32.37 3is9 s TRP 239 CO -0.04 -1.19 0.00 -2.37 -4.06 0.00 0.00 176.95 169.29 3is9 n THR 240 N -0.55 0.00 -1.72 0.66 5.66 -0.95 -0.02 114.28 117.36 3is9 n THR 240 Ca -0.01 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.68 3is9 n THR 240 Cb 0.61 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.42 3is9 n THR 240 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3is9 s VAL 241 N -2.00 4.34 0.58 1.08 -7.23 -1.26 -0.15 120.40 115.76 3is9 s VAL 241 Ca 0.00 0.77 -0.18 0.00 -1.81 0.00 0.00 61.98 60.76 3is9 s VAL 241 Cb 0.00 -3.62 -0.07 0.00 0.56 0.00 0.00 36.38 33.26 3is9 s VAL 241 CO 0.00 -0.98 0.78 0.00 -0.31 0.00 0.00 175.10 174.58 3is9 n GLN 242 N -2.92 0.73 -1.50 4.82 6.02 -0.91 -4.62 117.38 119.01 3is9 n GLN 242 Ca 0.07 0.29 -0.60 0.00 -0.01 0.00 0.00 57.00 56.74 3is9 n GLN 242 Cb 0.54 -1.96 -0.10 0.00 1.02 0.00 0.00 30.24 29.74 3is9 n GLN 242 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3is9 n PRO 243 N -0.57 0.40 -3.10 -1.09 -0.02 -1.26 -4.82 135.00 124.53 3is9 n PRO 243 Ca 0.13 0.13 -0.45 0.00 -2.02 0.00 0.00 63.50 61.29 3is9 n PRO 243 Cb 0.47 -1.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 3is9 n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3is9 s ILE 244 N 5.03 4.87 -0.47 4.25 -1.09 -1.26 -5.00 121.20 127.52 3is9 s ILE 244 Ca 1.10 -1.19 -0.19 0.00 -2.23 0.00 0.00 60.65 58.15 3is9 s ILE 244 Cb -1.31 -4.53 0.04 0.00 -1.58 0.00 0.00 42.46 35.08 3is9 s ILE 244 CO 0.67 -1.18 0.60 0.54 -1.23 0.00 0.00 174.94 174.34 3is9 s VAL 245 N 2.50 4.90 -0.15 2.92 0.11 -1.26 -5.02 120.40 124.40 3is9 s VAL 245 Ca 0.15 -0.27 -0.29 0.00 -2.93 0.00 0.00 61.98 58.64 3is9 s VAL 245 Cb -0.20 -4.22 -0.04 0.00 -1.53 0.00 0.00 36.38 30.39 3is9 s VAL 245 CO 0.03 -0.67 1.70 -0.76 -3.33 0.00 0.00 175.10 172.07 3is9 s LEU 246 N 2.60 4.04 -0.10 2.54 1.43 -1.26 -4.92 118.68 123.01 3is9 s LEU 246 Ca 0.17 1.92 -0.33 0.00 -1.03 0.00 0.00 54.13 54.86 3is9 s LEU 246 Cb -0.17 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.41 3is9 s LEU 246 CO 0.14 -1.19 1.95 -2.65 0.23 0.00 0.00 176.35 174.84 3is9 n PRO 247 N 7.57 2.19 -1.62 1.29 -0.02 -1.26 -4.85 135.00 138.30 3is9 n PRO 247 Ca 0.19 0.78 -0.34 0.00 -2.02 0.00 0.00 63.50 62.11 3is9 n PRO 247 Cb 0.44 -2.74 -0.04 0.00 -0.02 0.00 0.00 33.50 31.14 3is9 n PRO 247 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3is9 n GLU 248 N 7.11 3.63 -3.47 -0.52 -0.58 -1.26 -4.93 120.64 120.62 3is9 n GLU 248 Ca 0.24 -2.66 -0.22 0.00 -0.42 0.00 0.00 57.16 54.09 3is9 n GLU 248 Cb 0.32 -2.49 -0.01 0.00 -0.57 0.00 0.00 31.44 28.69 3is9 n GLU 248 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3is9 s LYS 249 N -0.31 3.37 -0.16 3.49 1.02 -1.26 -5.04 119.74 120.84 3is9 s LYS 249 Ca 0.60 -0.54 0.12 0.00 0.02 0.00 0.00 55.97 56.17 3is9 s LYS 249 Cb 0.24 -2.72 -0.18 0.00 -0.52 0.00 0.00 37.83 34.65 3is9 s LYS 249 CO -0.10 0.14 0.02 -0.40 -0.92 0.00 0.00 175.35 174.09 3is9 n ASP 250 N -1.72 1.36 -4.19 2.83 3.85 -1.26 -4.87 116.55 112.53 3is9 n ASP 250 Ca -0.04 -0.02 -0.37 0.00 -0.71 0.00 0.00 54.79 53.65 3is9 n ASP 250 Cb 0.57 0.70 -0.12 0.00 -1.35 0.00 0.00 41.12 40.92 3is9 n ASP 250 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3is9 s SER 251 N -5.07 5.19 -0.21 -1.12 0.15 -1.26 -5.08 113.70 106.30 3is9 s SER 251 Ca -0.11 -1.49 -0.15 0.00 0.70 0.00 0.00 55.95 54.91 3is9 s SER 251 Cb 0.05 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 3is9 s SER 251 CO 0.61 -0.39 0.36 0.26 1.20 0.00 0.00 173.24 175.28 3is9 s TRP 252 N 1.28 3.36 0.00 3.44 0.52 -1.26 -5.01 118.94 121.26 3is9 s TRP 252 Ca 0.01 0.55 0.00 0.00 0.02 0.00 0.00 56.10 56.67 3is9 s TRP 252 Cb -0.21 -2.49 0.00 0.00 -1.15 0.00 0.00 33.47 29.62 3is9 s TRP 252 CO -0.01 -0.02 0.00 0.25 0.02 0.00 0.00 176.95 177.20 3is9 n THR 253 N 4.39 0.00 0.27 2.01 -2.24 -1.26 -3.27 114.28 114.18 3is9 n THR 253 Ca -0.09 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 3is9 n THR 253 Cb 0.51 -0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 67.70 3is9 n THR 253 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3is9 h VAL 254 N 0.03 0.46 -0.54 2.28 2.07 -1.43 -2.46 116.25 116.66 3is9 h VAL 254 Ca 0.00 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3is9 h VAL 254 Cb 0.00 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3is9 h VAL 254 CO 0.00 0.04 0.17 0.78 0.02 0.00 0.00 177.57 178.59 3is9 h ASN 255 N -0.85 0.74 -0.51 0.57 -0.26 -1.89 0.68 115.58 114.06 3is9 h ASN 255 Ca -0.07 -0.11 0.09 0.00 -0.56 0.00 0.00 56.30 55.65 3is9 h ASN 255 Cb 0.59 -0.19 -0.08 0.00 -1.06 0.00 0.00 38.32 37.58 3is9 h ASN 255 CO 0.11 0.70 0.07 -0.78 -1.06 0.00 0.00 177.43 176.47 3is9 h ASP 256 N 0.78 -0.07 0.39 5.81 1.82 -1.89 0.77 116.42 124.04 3is9 h ASP 256 Ca 0.18 0.10 -0.28 0.00 -0.39 0.00 0.00 57.03 56.64 3is9 h ASP 256 Cb 0.22 0.16 -0.05 0.00 0.68 0.00 0.00 39.33 40.34 3is9 h ASP 256 CO -0.01 -0.01 -1.84 -0.38 -1.61 0.00 0.00 179.24 175.39 3is9 n ILE 257 N -5.16 1.45 0.20 2.25 5.41 -0.94 -3.48 119.36 119.09 3is9 n ILE 257 Ca 0.06 -0.79 0.06 0.00 1.00 0.00 0.00 62.75 63.08 3is9 n ILE 257 Cb 0.26 -0.82 0.41 0.00 -0.71 0.00 0.00 39.64 38.79 3is9 n ILE 257 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3is9 h GLN 258 N 0.00 0.00 -0.28 0.38 4.15 0.64 0.63 115.11 120.62 3is9 h GLN 258 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.10 3is9 h GLN 258 Cb 1.98 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.67 3is9 h GLN 258 CO 0.06 0.33 0.00 1.63 -1.93 0.00 0.00 178.83 178.92 3is9 n LYS 259 N -3.70 1.94 -0.00 1.69 5.02 0.27 -2.90 118.16 120.48 3is9 n LYS 259 Ca -0.01 -1.44 0.03 0.00 -2.02 0.00 0.00 58.31 54.88 3is9 n LYS 259 Cb 0.43 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 3is9 n LYS 259 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3is9 n LEU 260 N 0.66 0.23 -0.08 -0.35 7.94 0.66 -3.93 117.00 122.11 3is9 n LEU 260 Ca 0.16 -0.34 -0.12 0.00 -1.11 0.00 0.00 56.01 54.60 3is9 n LEU 260 Cb 0.39 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.27 3is9 n LEU 260 CO 0.13 0.06 -0.28 0.58 -1.11 0.00 0.00 177.39 176.76 3is9 h VAL 261 N 0.00 0.58 0.00 1.96 2.07 0.16 -2.58 116.25 118.44 3is9 h VAL 261 Ca 0.00 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.89 3is9 h VAL 261 Cb 0.22 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3is9 h VAL 261 CO 0.00 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.40 3is9 n GLY 262 N 1.57 -1.10 0.00 2.17 0.00 -1.14 -1.57 105.19 105.11 3is9 n GLY 262 Ca -0.16 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.86 3is9 n GLY 262 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3is9 n LYS 263 N -1.42 1.27 -0.03 1.61 4.81 -1.25 -3.95 118.16 119.20 3is9 n LYS 263 Ca 0.07 -0.04 -0.15 0.00 -0.87 0.00 0.00 58.31 57.32 3is9 n LYS 263 Cb 0.21 -1.31 -0.14 0.00 0.02 0.00 0.00 35.03 33.80 3is9 n LYS 263 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3is9 n LEU 264 N -1.57 1.72 -0.24 3.14 4.77 -0.88 -3.44 117.00 120.50 3is9 n LEU 264 Ca 0.02 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.16 3is9 n LEU 264 Cb 0.31 -0.44 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3is9 n LEU 264 CO 0.34 0.64 0.90 0.78 -1.33 0.00 0.00 177.39 178.73 3is9 h ASN 265 N 0.03 1.06 -0.16 -1.43 2.35 -1.49 0.63 115.58 116.57 3is9 h ASN 265 Ca -0.39 -0.26 0.04 0.00 -0.55 0.00 0.00 56.30 55.14 3is9 h ASN 265 Cb 2.03 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 40.08 3is9 h ASN 265 CO 0.06 1.05 -0.12 -0.25 -1.65 0.00 0.00 177.43 176.52 3is9 h TRP 266 N 1.03 -0.29 -0.23 1.19 -0.00 -1.70 -1.21 115.95 114.75 3is9 h TRP 266 Ca 0.21 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 59.09 3is9 h TRP 266 Cb 0.43 0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 29.73 3is9 h TRP 266 CO 0.03 -0.18 0.02 0.00 -0.00 0.00 0.00 178.44 178.31 3is9 h ALA 267 N 0.99 1.61 0.00 2.65 0.00 -1.45 -2.98 119.26 120.08 3is9 h ALA 267 Ca 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3is9 h ALA 267 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3is9 h ALA 267 CO -0.24 0.29 -0.00 0.66 0.00 0.00 0.00 179.25 179.96 3is9 h SER 268 N 0.32 0.00 0.00 0.00 4.64 0.39 -2.57 113.55 116.33 3is9 h SER 268 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3is9 h SER 268 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3is9 h SER 268 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3is9 n GLN 269 N -3.10 0.55 0.00 4.77 10.64 -1.13 -3.24 117.38 125.88 3is9 n GLN 269 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 3is9 n GLN 269 Cb 0.12 -1.39 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 3is9 n GLN 269 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 3is9 n ILE 270 N -0.89 0.00 -2.64 -0.39 0.13 -1.11 -1.35 119.36 113.11 3is9 n ILE 270 Ca 0.10 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.32 3is9 n ILE 270 Cb 0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 38.82 3is9 n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3is9 s TYR 271 N -1.00 2.90 0.10 9.51 1.51 -0.99 -4.63 117.35 124.74 3is9 s TYR 271 Ca 0.00 0.76 -0.31 0.00 -1.01 0.00 0.00 57.07 56.51 3is9 s TYR 271 Cb 0.00 -4.22 -0.08 0.00 -0.11 0.00 0.00 41.96 37.54 3is9 s TYR 271 CO 0.00 -1.15 1.50 -2.14 -1.11 0.00 0.00 175.55 172.65 3is9 s PRO 272 N 4.20 4.26 0.00 -1.71 0.02 -1.26 -3.79 135.00 136.72 3is9 s PRO 272 Ca 0.46 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.66 3is9 s PRO 272 Cb -0.08 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3is9 s PRO 272 CO 0.28 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 3is9 n GLY 273 N 3.70 2.59 3.53 0.52 0.00 -1.26 -4.98 105.19 109.28 3is9 n GLY 273 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 3is9 n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3is9 n ILE 274 N -0.77 1.98 -4.22 -0.61 5.41 -1.25 -5.01 119.36 114.90 3is9 n ILE 274 Ca 0.00 -0.50 -0.18 0.00 1.00 0.00 0.00 62.75 63.07 3is9 n ILE 274 Cb 0.00 -0.71 -0.11 0.00 -0.71 0.00 0.00 39.64 38.10 3is9 n ILE 274 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3is9 s LYS 275 N -1.46 0.96 0.00 0.38 1.02 -1.26 -4.89 119.74 114.50 3is9 s LYS 275 Ca 0.61 -1.18 0.13 0.00 0.02 0.00 0.00 55.97 55.55 3is9 s LYS 275 Cb -0.73 -0.84 0.22 0.00 -0.52 0.00 0.00 37.83 35.96 3is9 s LYS 275 CO 0.59 0.16 1.05 1.33 -0.92 0.00 0.00 175.35 177.56 3is9 n VAL 276 N 0.67 0.00 -0.00 3.17 0.24 -1.26 -4.95 118.33 116.20 3is9 n VAL 276 Ca -0.17 -0.52 -0.01 0.00 -2.04 0.00 0.00 64.34 61.60 3is9 n VAL 276 Cb 0.57 0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 33.65 3is9 n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3is9 h ARG 277 N 0.52 -0.07 0.00 7.34 9.65 -1.98 -2.14 114.38 127.70 3is9 h ARG 277 Ca -0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 3is9 h ARG 277 Cb 1.63 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.23 3is9 h ARG 277 CO -0.02 -0.05 0.00 1.04 2.80 0.00 0.00 179.97 183.74 3is9 n GLN 278 N -4.09 0.03 -0.11 0.20 1.13 -1.26 -1.94 117.38 111.35 3is9 n GLN 278 Ca -0.01 0.33 -0.14 0.00 -1.94 0.00 0.00 57.00 55.24 3is9 n GLN 278 Cb 0.03 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 28.76 3is9 n GLN 278 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3is9 n LEU 279 N -1.43 2.12 0.14 1.08 4.77 -1.25 -4.37 117.00 118.05 3is9 n LEU 279 Ca 0.02 -0.09 0.13 0.00 -0.03 0.00 0.00 56.01 56.04 3is9 n LEU 279 Cb 0.07 -0.45 0.31 0.00 -2.33 0.00 0.00 43.42 41.03 3is9 n LEU 279 CO 0.06 0.76 0.81 0.28 -1.33 0.00 0.00 177.39 177.97 3is9 h SER 280 N 0.00 0.00 -0.11 -1.43 0.02 -1.11 -3.04 113.55 107.89 3is9 h SER 280 Ca -0.51 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3is9 h SER 280 Cb 1.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.43 3is9 h SER 280 CO -0.05 0.01 0.00 1.17 -1.14 0.00 0.00 176.83 176.82 3is9 n LYS 281 N -2.51 1.67 0.00 3.45 0.00 -0.82 -2.35 118.16 117.60 3is9 n LYS 281 Ca 0.05 -0.99 0.10 0.00 0.00 0.00 0.00 58.31 57.47 3is9 n LYS 281 Cb 0.46 -1.42 -0.07 0.00 0.00 0.00 0.00 35.03 34.00 3is9 n LYS 281 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3is9 n LEU 282 N 0.21 1.23 -0.29 3.14 4.77 -1.15 -4.36 117.00 120.56 3is9 n LEU 282 Ca 0.17 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3is9 n LEU 282 Cb 0.32 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3is9 n LEU 282 CO 0.14 0.28 0.25 0.00 -1.33 0.00 0.00 177.39 176.73 3is9 n LEU 283 N -1.13 0.01 0.12 2.23 -0.00 -1.22 -4.83 117.00 112.18 3is9 n LEU 283 Ca 0.05 -0.59 0.05 0.00 -0.00 0.00 0.00 56.01 55.53 3is9 n LEU 283 Cb 0.36 -0.00 0.51 0.00 -0.00 0.00 0.00 43.42 44.29 3is9 n LEU 283 CO 0.39 0.15 1.09 0.08 -0.00 0.00 0.00 177.39 179.10 3is9 h ARG 284 N 0.00 0.28 -3.11 1.47 -0.00 -1.66 -3.38 114.38 107.97 3is9 h ARG 284 Ca 0.00 -0.02 -0.30 0.00 -0.00 0.00 0.00 59.98 59.66 3is9 h ARG 284 Cb 1.23 -0.06 -0.36 0.00 -0.00 0.00 0.00 29.97 30.78 3is9 h ARG 284 CO 0.00 0.21 -0.65 0.20 -0.00 0.00 0.00 179.97 179.74 3is9 s GLY 285 N -3.89 0.06 -0.29 0.08 0.00 -1.26 -5.12 107.32 96.90 3is9 s GLY 285 Ca -0.07 0.53 -0.17 0.00 0.00 0.00 0.00 44.72 45.01 3is9 s GLY 285 CO 0.71 1.62 1.02 -0.51 0.00 0.00 0.00 173.10 175.94 3is9 s THR 286 N 2.24 0.00 0.81 0.90 -4.23 -1.26 -5.04 115.64 109.06 3is9 s THR 286 Ca 0.03 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.42 3is9 s THR 286 Cb -0.12 -1.00 0.08 0.00 1.34 0.00 0.00 72.50 72.80 3is9 s THR 286 CO -0.05 0.00 1.13 -1.59 -0.54 0.00 0.00 174.62 173.57 3is9 s LYS 287 N 1.17 1.81 0.20 3.99 -2.85 -1.26 -4.83 119.74 117.98 3is9 s LYS 287 Ca -0.07 1.42 0.00 0.00 -1.00 0.00 0.00 55.97 56.32 3is9 s LYS 287 Cb -0.04 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.91 3is9 s LYS 287 CO -0.14 -2.02 0.00 0.00 0.10 0.00 0.00 175.35 173.30 3is9 n ALA 288 N -3.58 -2.05 0.00 0.59 0.00 -1.26 -4.59 120.51 109.63 3is9 n ALA 288 Ca 0.11 0.28 -0.17 0.00 0.00 0.00 0.00 53.44 53.65 3is9 n ALA 288 Cb 0.52 -0.73 -0.14 0.00 0.00 0.00 0.00 19.45 19.11 3is9 n ALA 288 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3is9 h LEU 289 N -0.74 0.30 -8.82 0.00 3.38 -2.03 -3.48 115.31 103.92 3is9 h LEU 289 Ca 0.00 -0.65 -0.45 0.00 0.09 0.00 0.00 57.88 56.87 3is9 h LEU 289 Cb 0.73 -0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.22 3is9 h LEU 289 CO 0.01 1.58 -0.75 0.42 0.09 0.00 0.00 178.44 179.79 3is9 s THR 290 N -2.57 1.66 0.00 0.22 -4.23 -1.26 -3.89 115.64 105.57 3is9 s THR 290 Ca -0.16 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.28 3is9 s THR 290 Cb 0.07 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 72.00 3is9 s THR 290 CO 0.79 -0.52 0.00 1.21 -0.54 0.00 0.00 174.62 175.57 3is9 n GLU 291 N -0.09 0.00 -2.31 3.99 2.13 -1.26 -4.74 120.64 118.36 3is9 n GLU 291 Ca -0.10 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.37 3is9 n GLU 291 Cb 0.59 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.27 3is9 n GLU 291 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3is9 s VAL 292 N -0.31 3.77 0.01 6.31 -7.23 -1.26 -1.25 120.40 120.44 3is9 s VAL 292 Ca 0.00 -1.07 -0.08 0.00 -1.81 0.00 0.00 61.98 59.03 3is9 s VAL 292 Cb 0.00 -4.74 -0.05 0.00 0.56 0.00 0.00 36.38 32.15 3is9 s VAL 292 CO 0.00 -1.48 0.29 -0.63 -0.31 0.00 0.00 175.10 172.97 3is9 s ILE 293 N 7.64 5.26 0.26 -0.62 1.01 -1.20 -4.99 121.20 128.57 3is9 s ILE 293 Ca 0.60 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 61.23 3is9 s ILE 293 Cb -0.00 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.79 3is9 s ILE 293 CO 0.04 0.40 1.36 -2.16 0.00 0.00 0.00 174.94 174.57 3is9 s PRO 294 N -1.66 4.33 -0.24 2.79 0.04 -1.26 -4.78 135.00 134.22 3is9 s PRO 294 Ca 0.27 2.20 -0.21 0.00 0.04 0.00 0.00 61.00 63.30 3is9 s PRO 294 Cb -0.13 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 3is9 s PRO 294 CO 0.15 -0.29 0.67 -0.51 0.04 0.00 0.00 177.00 177.06 3is9 s LEU 295 N -0.75 4.08 0.50 -3.56 1.02 -1.26 -5.03 118.68 113.67 3is9 s LEU 295 Ca 0.55 0.79 -0.21 0.00 0.02 0.00 0.00 54.13 55.29 3is9 s LEU 295 Cb -0.40 -2.93 -0.09 0.00 0.02 0.00 0.00 46.19 42.80 3is9 s LEU 295 CO 0.45 -0.38 0.77 0.35 0.02 0.00 0.00 176.35 177.55 3is9 n THR 296 N 5.13 2.50 0.15 5.49 -2.24 -1.26 -4.78 114.28 119.27 3is9 n THR 296 Ca 0.01 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.37 3is9 n THR 296 Cb 0.49 -0.89 0.45 0.00 -2.10 0.00 0.00 70.33 68.27 3is9 n THR 296 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3is9 n GLU 297 N -0.05 0.11 0.01 -0.78 -0.58 -1.26 0.03 120.64 118.12 3is9 n GLU 297 Ca 0.11 0.59 -0.11 0.00 -0.42 0.00 0.00 57.16 57.34 3is9 n GLU 297 Cb 0.43 -2.00 -0.14 0.00 -0.57 0.00 0.00 31.44 29.16 3is9 n GLU 297 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3is9 h GLU 298 N 0.00 0.06 -0.96 3.49 3.07 -1.94 -3.31 114.58 114.98 3is9 h GLU 298 Ca 0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 3is9 h GLU 298 Cb 0.30 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3is9 h GLU 298 CO 0.00 0.76 0.00 0.00 -1.40 0.00 0.00 179.01 178.37 3is9 n ALA 299 N -2.56 2.50 0.00 3.43 0.00 0.10 -3.05 120.51 120.93 3is9 n ALA 299 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3is9 n ALA 299 Cb 1.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3is9 n ALA 299 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3is9 n GLU 300 N -0.02 1.97 0.04 0.00 4.07 -1.22 -4.37 120.64 121.11 3is9 n GLU 300 Ca 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.21 3is9 n GLU 300 Cb 0.24 -0.95 0.06 0.00 -0.06 0.00 0.00 31.44 30.73 3is9 n GLU 300 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3is9 n LEU 301 N -1.56 0.63 -0.04 4.31 7.94 -1.17 -3.10 117.00 124.01 3is9 n LEU 301 Ca 0.00 0.06 -0.18 0.00 -1.11 0.00 0.00 56.01 54.78 3is9 n LEU 301 Cb 0.20 -0.12 -0.14 0.00 0.53 0.00 0.00 43.42 43.90 3is9 n LEU 301 CO 0.00 0.01 -0.91 -1.84 -1.11 0.00 0.00 177.39 173.54 3is9 n GLU 302 N -2.03 0.71 0.20 1.96 0.28 -1.22 -3.22 120.64 117.32 3is9 n GLU 302 Ca 0.02 0.23 0.15 0.00 -0.16 0.00 0.00 57.16 57.39 3is9 n GLU 302 Cb 0.44 -1.67 0.57 0.00 1.43 0.00 0.00 31.44 32.22 3is9 n GLU 302 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3is9 h LEU 303 N 0.04 0.00 0.00 -1.84 5.85 -1.76 -1.26 115.31 116.34 3is9 h LEU 303 Ca -0.45 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.09 3is9 h LEU 303 Cb 2.02 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.02 3is9 h LEU 303 CO 0.04 0.00 -1.14 0.00 -0.34 0.00 0.00 178.44 177.00 3is9 h ALA 304 N 2.14 0.62 -0.23 1.25 0.00 -1.65 -2.99 119.26 118.41 3is9 h ALA 304 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3is9 h ALA 304 Cb 0.47 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3is9 h ALA 304 CO 0.00 1.03 0.00 0.39 0.00 0.00 0.00 179.25 180.67 3is9 n GLU 305 N -3.10 1.76 -0.12 0.00 1.02 -0.50 -3.12 120.64 116.58 3is9 n GLU 305 Ca -0.06 -0.91 -0.16 0.00 -0.02 0.00 0.00 57.16 56.00 3is9 n GLU 305 Cb 0.87 -1.35 -0.13 0.00 -0.02 0.00 0.00 31.44 30.81 3is9 n GLU 305 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3is9 n ASN 306 N 0.21 1.57 -0.13 1.62 5.03 -1.02 -3.74 115.26 118.79 3is9 n ASN 306 Ca 0.08 -0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.43 3is9 n ASN 306 Cb 0.30 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 3is9 n ASN 306 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3is9 n ARG 307 N -3.16 0.98 0.00 3.52 1.74 -1.18 0.24 116.66 118.80 3is9 n ARG 307 Ca -0.43 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.65 3is9 n ARG 307 Cb 1.03 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 3is9 n ARG 307 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3is9 n GLU 308 N -0.36 3.95 -0.08 5.56 2.13 -1.26 -3.81 120.64 126.78 3is9 n GLU 308 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 3is9 n GLU 308 Cb 0.06 -0.55 -0.11 0.00 0.27 0.00 0.00 31.44 31.11 3is9 n GLU 308 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3is9 n ILE 309 N -0.88 1.02 -0.73 6.31 2.08 -0.77 -4.21 119.36 122.18 3is9 n ILE 309 Ca 0.00 -0.60 0.08 0.00 0.56 0.00 0.00 62.75 62.79 3is9 n ILE 309 Cb 0.00 -0.67 0.34 0.00 -0.75 0.00 0.00 39.64 38.56 3is9 n ILE 309 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3is9 n LEU 310 N -2.61 4.77 -0.07 1.39 4.77 0.67 -4.37 117.00 121.55 3is9 n LEU 310 Ca -0.25 -2.64 -0.04 0.00 -0.03 0.00 0.00 56.01 53.05 3is9 n LEU 310 Cb 0.97 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3is9 n LEU 310 CO 0.30 0.74 -0.30 0.50 -1.33 0.00 0.00 177.39 177.30 3is9 h LYS 311 N 3.56 0.00 -5.27 3.23 3.64 -1.69 -3.45 116.57 116.59 3is9 h LYS 311 Ca 0.00 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.72 3is9 h LYS 311 Cb 1.55 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 33.21 3is9 h LYS 311 CO 0.29 0.00 0.24 -1.21 -2.27 0.00 0.00 179.45 176.49 3is9 s GLU 312 N -2.13 3.19 -0.23 1.90 0.41 -1.26 -5.01 118.70 115.57 3is9 s GLU 312 Ca -0.13 -0.69 -0.31 0.00 -0.41 0.00 0.00 54.97 53.43 3is9 s GLU 312 Cb 0.02 -4.09 -0.08 0.00 -1.78 0.00 0.00 34.13 28.20 3is9 s GLU 312 CO 0.19 -1.34 2.17 -2.30 -0.49 0.00 0.00 175.26 173.49 3is9 n PRO 313 N 6.65 1.80 -3.36 0.39 -0.02 -1.26 -4.96 135.00 134.25 3is9 n PRO 313 Ca -0.04 0.52 -0.25 0.00 -2.02 0.00 0.00 63.50 61.72 3is9 n PRO 313 Cb 0.46 -2.97 -0.02 0.00 -0.02 0.00 0.00 33.50 30.96 3is9 n PRO 313 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3is9 s VAL 314 N 7.46 5.09 -0.00 -1.45 1.01 -1.26 -5.11 120.40 126.14 3is9 s VAL 314 Ca 1.02 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.71 3is9 s VAL 314 Cb -0.51 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 3is9 s VAL 314 CO 0.41 -0.51 -0.20 -1.00 0.00 0.00 0.00 175.10 173.80 3is9 s HIS 315 N -2.27 1.75 -0.05 5.22 3.76 -1.26 -4.84 115.29 117.60 3is9 s HIS 315 Ca 0.41 -0.34 -0.05 0.00 -0.15 0.00 0.00 55.06 54.93 3is9 s HIS 315 Cb -0.10 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.44 3is9 s HIS 315 CO 0.35 -0.00 0.17 0.20 -0.85 0.00 0.00 174.74 174.61 3is9 s GLY 316 N -0.61 2.18 0.00 -2.22 0.00 0.97 -4.68 107.32 102.95 3is9 s GLY 316 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3is9 s GLY 316 CO -0.00 -0.52 0.00 3.33 0.00 0.00 0.00 173.10 175.91 3is9 n VAL 317 N 1.37 0.00 -4.16 1.40 0.24 -1.01 0.86 118.33 117.03 3is9 n VAL 317 Ca -0.14 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 61.89 3is9 n VAL 317 Cb 0.54 -1.20 -0.07 0.00 -1.47 0.00 0.00 33.84 31.63 3is9 n VAL 317 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3is9 s TYR 318 N 1.15 2.94 0.18 6.34 4.12 -1.26 -4.59 117.35 126.23 3is9 s TYR 318 Ca 0.00 -0.09 -0.30 0.00 0.02 0.00 0.00 57.07 56.70 3is9 s TYR 318 Cb 0.00 -1.43 -0.08 0.00 -1.52 0.00 0.00 41.96 38.93 3is9 s TYR 318 CO 0.00 0.51 1.06 -0.47 0.02 0.00 0.00 175.55 176.67 3is9 s TYR 319 N -1.68 3.67 -0.31 2.71 5.04 -0.66 -4.91 117.35 121.21 3is9 s TYR 319 Ca 0.28 1.68 0.03 0.00 -2.44 0.00 0.00 57.07 56.62 3is9 s TYR 319 Cb -0.10 -3.20 0.09 0.00 0.35 0.00 0.00 41.96 39.10 3is9 s TYR 319 CO 0.20 -0.34 0.02 0.34 -1.34 0.00 0.00 175.55 174.42 3is9 s ASP 320 N -0.26 4.57 0.56 4.32 -1.08 -1.26 -4.33 116.67 119.19 3is9 s ASP 320 Ca 0.48 -1.90 0.23 0.00 -0.52 0.00 0.00 52.55 50.84 3is9 s ASP 320 Cb -0.28 -1.51 1.27 0.00 -1.46 0.00 0.00 42.92 40.94 3is9 s ASP 320 CO 0.34 -0.34 1.68 -0.65 0.52 0.00 0.00 175.17 176.73 3is9 h PRO 321 N 7.71 0.00 0.00 4.34 0.11 -2.00 -1.36 132.00 140.80 3is9 h PRO 321 Ca -0.09 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 3is9 h PRO 321 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3is9 h PRO 321 CO 0.50 0.00 -0.65 0.66 -0.21 0.00 0.00 178.00 178.30 3is9 h SER 322 N 0.00 0.00 -3.26 -2.05 4.64 -2.04 -3.46 113.55 107.39 3is9 h SER 322 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3is9 h SER 322 Cb 0.71 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.76 3is9 h SER 322 CO 0.00 0.31 -0.19 -0.54 -0.87 0.00 0.00 176.83 175.54 3is9 s LYS 323 N -3.08 3.78 0.77 4.77 -0.14 -0.51 -5.07 119.74 120.26 3is9 s LYS 323 Ca 0.03 0.20 -0.12 0.00 -1.36 0.00 0.00 55.97 54.71 3is9 s LYS 323 Cb 0.07 -2.85 0.06 0.00 -1.68 0.00 0.00 37.83 33.44 3is9 s LYS 323 CO 0.75 0.45 1.13 -0.51 -0.76 0.00 0.00 175.35 176.41 3is9 s ASP 324 N -2.08 4.25 -0.17 2.83 1.01 -1.26 -4.91 116.67 116.33 3is9 s ASP 324 Ca 0.40 2.05 -0.07 0.00 0.71 0.00 0.00 52.55 55.64 3is9 s ASP 324 Cb -0.13 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 3is9 s ASP 324 CO 0.21 -2.21 0.06 -0.22 0.21 0.00 0.00 175.17 173.21 3is9 s LEU 325 N -5.67 3.82 -0.00 1.23 2.96 -1.26 -4.43 118.68 115.32 3is9 s LEU 325 Ca 0.66 0.10 0.06 0.00 -0.22 0.00 0.00 54.13 54.74 3is9 s LEU 325 Cb -0.21 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 3is9 s LEU 325 CO 0.51 0.20 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.90 3is9 s ILE 326 N 0.23 1.61 -0.11 6.68 1.09 0.12 -0.72 121.20 130.10 3is9 s ILE 326 Ca 0.04 -0.93 0.01 0.00 -1.10 0.00 0.00 60.65 58.67 3is9 s ILE 326 Cb -0.12 -1.35 0.02 0.00 -1.06 0.00 0.00 42.46 39.95 3is9 s ILE 326 CO 0.00 0.41 -0.13 0.00 -0.10 0.00 0.00 174.94 175.13 3is9 s ALA 327 N -0.53 1.58 -0.07 9.38 0.00 0.17 -0.28 121.76 132.01 3is9 s ALA 327 Ca 0.08 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.39 3is9 s ALA 327 Cb -0.08 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 3is9 s ALA 327 CO -0.00 -0.21 -0.15 -2.00 0.00 0.00 0.00 175.76 173.40 3is9 s GLU 328 N 1.25 2.72 0.12 0.00 2.12 0.66 -1.47 118.70 124.10 3is9 s GLU 328 Ca -0.02 -0.72 0.10 0.00 0.36 0.00 0.00 54.97 54.69 3is9 s GLU 328 Cb -0.14 -2.42 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 3is9 s GLU 328 CO -0.05 0.50 -0.22 0.42 -0.54 0.00 0.00 175.26 175.37 3is9 s ILE 329 N -0.40 2.57 0.05 -3.70 1.01 -1.25 -0.90 121.20 118.58 3is9 s ILE 329 Ca 0.04 -1.60 0.03 0.00 0.00 0.00 0.00 60.65 59.12 3is9 s ILE 329 Cb -0.12 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 3is9 s ILE 329 CO 0.02 0.11 -0.08 -1.10 0.00 0.00 0.00 174.94 173.88 3is9 s GLN 330 N -2.07 0.61 -0.00 2.79 1.11 -0.33 -4.45 119.66 117.32 3is9 s GLN 330 Ca 0.16 -0.86 -0.12 0.00 0.01 0.00 0.00 55.36 54.55 3is9 s GLN 330 Cb -0.10 -0.35 -0.05 0.00 -1.01 0.00 0.00 33.01 31.49 3is9 s GLN 330 CO 0.08 0.06 0.36 0.21 0.01 0.00 0.00 175.29 176.01 3is9 s LYS 331 N -1.89 3.80 0.00 2.91 2.20 -1.26 -2.58 119.74 122.92 3is9 s LYS 331 Ca -0.06 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 3is9 s LYS 331 Cb -0.08 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 3is9 s LYS 331 CO 0.00 0.68 0.28 1.04 -0.36 0.00 0.00 175.35 176.99 3is9 n GLN 332 N 1.63 0.21 0.00 4.03 6.02 -0.33 -4.75 117.38 124.19 3is9 n GLN 332 Ca -0.14 -0.28 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 3is9 n GLN 332 Cb 0.53 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 31.03 3is9 n GLN 332 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3is9 n GLY 333 N 0.11 -0.35 2.70 1.08 0.00 -1.24 -4.80 105.19 102.69 3is9 n GLY 333 Ca 0.00 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.27 3is9 n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3is9 n GLN 334 N -0.24 -1.84 -1.11 1.61 3.00 -1.26 -0.63 117.38 116.92 3is9 n GLN 334 Ca 0.00 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 3is9 n GLN 334 Cb 0.00 -4.77 0.00 0.00 0.00 0.00 0.00 30.24 25.47 3is9 n GLN 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3is9 n GLY 335 N 0.53 0.92 3.62 1.08 0.00 -1.26 -4.84 105.19 105.23 3is9 n GLY 335 Ca -0.05 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 3is9 n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3is9 s GLN 336 N -2.53 2.56 -0.00 1.61 -0.21 0.20 -0.96 119.66 120.33 3is9 s GLN 336 Ca 0.00 -0.74 -0.08 0.00 0.02 0.00 0.00 55.36 54.57 3is9 s GLN 336 Cb 0.00 -2.52 0.00 0.00 1.00 0.00 0.00 33.01 31.49 3is9 s GLN 336 CO 0.00 0.59 0.15 -1.58 -2.12 0.00 0.00 175.29 172.33 3is9 s TRP 337 N -1.06 0.02 0.13 0.91 0.52 -0.32 -1.19 118.94 117.95 3is9 s TRP 337 Ca 0.19 -0.08 0.05 0.00 0.02 0.00 0.00 56.10 56.27 3is9 s TRP 337 Cb -0.11 -0.03 -0.04 0.00 -1.15 0.00 0.00 33.47 32.13 3is9 s TRP 337 CO 0.09 -0.28 -0.11 0.95 0.02 0.00 0.00 176.95 177.63 3is9 s THR 338 N -1.30 1.15 0.05 2.01 -4.23 -1.07 -0.22 115.64 112.03 3is9 s THR 338 Ca -0.14 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.32 3is9 s THR 338 Cb -0.07 -1.70 0.01 0.00 1.34 0.00 0.00 72.50 72.08 3is9 s THR 338 CO 0.02 -0.66 0.26 -0.72 -0.54 0.00 0.00 174.62 172.98 3is9 s TYR 339 N -2.98 -0.04 -0.03 3.99 -0.85 0.73 -1.19 117.35 116.98 3is9 s TYR 339 Ca 0.13 -0.14 0.04 0.00 -0.52 0.00 0.00 57.07 56.58 3is9 s TYR 339 Cb 0.00 0.05 -0.00 0.00 0.38 0.00 0.00 41.96 42.39 3is9 s TYR 339 CO 0.01 -0.48 -0.16 -0.65 -1.52 0.00 0.00 175.55 172.75 3is9 s GLN 340 N -2.63 1.56 -0.16 -3.49 1.11 -0.08 -0.95 119.66 115.01 3is9 s GLN 340 Ca -0.04 -0.56 -0.01 0.00 0.01 0.00 0.00 55.36 54.75 3is9 s GLN 340 Cb -0.01 -1.40 -0.01 0.00 -1.01 0.00 0.00 33.01 30.58 3is9 s GLN 340 CO -0.04 0.25 -0.10 0.42 0.01 0.00 0.00 175.29 175.83 3is9 s ILE 341 N -0.04 3.13 0.29 1.08 1.01 0.04 -0.24 121.20 126.46 3is9 s ILE 341 Ca -0.01 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 3is9 s ILE 341 Cb -0.10 -2.36 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 3is9 s ILE 341 CO 0.01 0.49 0.46 -0.72 0.00 0.00 0.00 174.94 175.19 3is9 s TYR 342 N 0.78 0.67 0.00 3.97 -0.85 0.62 -1.04 117.35 121.50 3is9 s TYR 342 Ca -0.04 -0.99 0.00 0.00 -0.52 0.00 0.00 57.07 55.52 3is9 s TYR 342 Cb -0.15 0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.25 3is9 s TYR 342 CO 0.01 -1.05 0.00 1.04 -1.52 0.00 0.00 175.55 174.04 3is9 n GLN 343 N -0.45 2.61 -4.39 -3.49 6.02 -1.26 0.13 117.38 116.56 3is9 n GLN 343 Ca -0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 3is9 n GLN 343 Cb 0.62 -0.95 -0.14 0.00 1.02 0.00 0.00 30.24 30.79 3is9 n GLN 343 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3is9 s GLU 344 N -1.91 0.89 -0.08 -1.09 2.56 -1.26 -4.77 118.70 113.04 3is9 s GLU 344 Ca 0.00 -0.61 -0.33 0.00 0.00 0.00 0.00 54.97 54.03 3is9 s GLU 344 Cb 0.00 -0.87 -0.16 0.00 2.00 0.00 0.00 34.13 35.10 3is9 s GLU 344 CO 0.00 0.22 0.94 -2.30 -0.56 0.00 0.00 175.26 173.56 3is9 n PRO 345 N 2.24 0.00 -0.40 4.30 -0.02 -1.26 -1.26 135.00 138.60 3is9 n PRO 345 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3is9 n PRO 345 Cb 0.55 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 3is9 n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3is9 n PHE 346 N 1.59 0.00 -2.85 6.00 0.99 -1.26 -4.85 117.46 117.08 3is9 n PHE 346 Ca 0.18 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.20 3is9 n PHE 346 Cb 0.04 -1.21 0.01 0.00 -1.00 0.00 0.00 39.48 37.32 3is9 n PHE 346 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3is9 n LYS 347 N -2.00 4.45 -1.93 -1.08 4.01 -0.39 -5.01 118.16 116.21 3is9 n LYS 347 Ca 0.00 -4.39 -0.42 0.00 -0.51 0.00 0.00 58.31 52.99 3is9 n LYS 347 Cb 0.00 -2.57 -0.03 0.00 -0.51 0.00 0.00 35.03 31.92 3is9 n LYS 347 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3is9 s ASN 348 N -1.33 6.61 0.14 4.39 0.01 -1.26 -4.14 114.94 119.36 3is9 s ASN 348 Ca 0.33 2.43 -0.10 0.00 -0.71 0.00 0.00 52.86 54.81 3is9 s ASN 348 Cb 0.07 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.13 3is9 s ASN 348 CO 0.07 -0.91 1.43 -0.07 -1.51 0.00 0.00 177.10 176.11 3is9 h LEU 349 N 9.18 0.95 -7.71 0.60 3.38 -1.37 -2.68 115.31 117.65 3is9 h LEU 349 Ca -0.42 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.12 3is9 h LEU 349 Cb 1.20 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 3is9 h LEU 349 CO 0.94 1.28 0.26 -1.59 0.09 0.00 0.00 178.44 179.42 3is9 s LYS 350 N -4.18 1.59 0.23 1.13 -2.85 -1.12 -4.31 119.74 110.23 3is9 s LYS 350 Ca -0.10 -0.82 0.01 0.00 -1.00 0.00 0.00 55.97 54.05 3is9 s LYS 350 Cb 0.10 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.41 3is9 s LYS 350 CO 0.88 -0.72 0.16 0.95 0.10 0.00 0.00 175.35 176.72 3is9 s THR 351 N -3.79 0.01 -0.06 3.79 -4.23 -0.46 -0.78 115.64 110.12 3is9 s THR 351 Ca 0.09 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.30 3is9 s THR 351 Cb -0.04 -2.50 0.10 0.00 1.34 0.00 0.00 72.50 71.40 3is9 s THR 351 CO 0.02 0.00 1.34 -0.83 -0.54 0.00 0.00 174.62 174.60 3is9 s GLY 352 N -3.21 -0.22 0.23 3.99 0.00 -0.13 -3.90 107.32 104.09 3is9 s GLY 352 Ca 0.39 0.23 0.05 0.00 0.00 0.00 0.00 44.72 45.39 3is9 s GLY 352 CO 0.15 5.19 -0.05 -1.59 0.00 0.00 0.00 173.10 176.81 3is9 s LYS 353 N -2.04 1.36 -0.06 2.90 -2.85 -1.26 -0.20 119.74 117.60 3is9 s LYS 353 Ca 0.28 -1.67 -0.02 0.00 -1.00 0.00 0.00 55.97 53.56 3is9 s LYS 353 Cb 0.01 -0.84 0.04 0.00 -2.06 0.00 0.00 37.83 34.98 3is9 s LYS 353 CO -0.02 0.00 0.11 -0.47 0.10 0.00 0.00 175.35 175.07 3is9 s TYR 354 N -3.23 -0.11 0.03 1.78 5.04 0.70 -4.95 117.35 116.61 3is9 s TYR 354 Ca 0.26 0.40 0.02 0.00 -2.44 0.00 0.00 57.07 55.31 3is9 s TYR 354 Cb 0.04 -0.17 -0.04 0.00 0.35 0.00 0.00 41.96 42.14 3is9 s TYR 354 CO 0.08 -0.16 0.04 0.00 -1.34 0.00 0.00 175.55 174.17 3is9 s ALA 355 N 1.35 3.42 0.72 3.97 0.00 -1.26 -1.18 121.76 128.78 3is9 s ALA 355 Ca -0.07 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 3is9 s ALA 355 Cb -0.12 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.64 3is9 s ALA 355 CO -0.05 0.69 1.22 0.50 0.00 0.00 0.00 175.76 178.12 3is9 s ARG 356 N -1.93 2.21 0.21 0.00 3.52 -0.14 -4.97 118.95 117.85 3is9 s ARG 356 Ca 0.24 1.80 -0.30 0.00 -0.13 0.00 0.00 55.73 57.34 3is9 s ARG 356 Cb -0.12 -1.84 -0.08 0.00 -1.56 0.00 0.00 34.95 31.35 3is9 s ARG 356 CO 0.15 -1.79 0.97 -1.64 -0.81 0.00 0.00 175.30 172.18 3is9 s MET 357 N -3.83 4.79 -0.06 5.12 -1.94 -1.26 -4.96 119.30 117.16 3is9 s MET 357 Ca 0.75 1.52 -0.29 0.00 -1.71 0.00 0.00 55.69 55.95 3is9 s MET 357 Cb -0.30 -3.30 -0.07 0.00 2.01 0.00 0.00 34.83 33.17 3is9 s MET 357 CO 0.44 0.39 1.86 -0.98 -0.01 0.00 0.00 175.02 176.72 3is9 s ARG 358 N -0.85 3.98 0.33 2.03 1.70 -1.26 -4.93 118.95 119.95 3is9 s ARG 358 Ca 0.43 2.28 -0.14 0.00 -0.47 0.00 0.00 55.73 57.84 3is9 s ARG 358 Cb -0.26 -4.12 0.03 0.00 -0.57 0.00 0.00 34.95 30.03 3is9 s ARG 358 CO 0.32 -1.12 0.66 0.20 -1.08 0.00 0.00 175.30 174.28 3is9 s GLY 359 N 4.58 0.53 -0.09 3.88 0.00 -1.26 -5.08 107.32 109.89 3is9 s GLY 359 Ca 0.83 -0.84 -0.26 0.00 0.00 0.00 0.00 44.72 44.45 3is9 s GLY 359 CO 0.35 -0.46 0.90 0.00 0.00 0.00 0.00 173.10 173.90 3is9 h ALA 360 N 2.06 -0.01 -1.86 3.20 0.00 -1.97 -3.45 119.26 117.23 3is9 h ALA 360 Ca -0.28 -0.52 -0.57 0.00 0.00 0.00 0.00 54.91 53.55 3is9 h ALA 360 Cb 1.25 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.93 3is9 h ALA 360 CO 0.36 0.10 -0.62 -1.01 0.00 0.00 0.00 179.25 178.07 3is9 s HIS 361 N -2.64 2.27 -0.01 0.00 3.76 -1.26 -0.57 115.29 116.84 3is9 s HIS 361 Ca -0.17 -0.73 -0.29 0.00 -0.15 0.00 0.00 55.06 53.72 3is9 s HIS 361 Cb -0.01 -1.49 0.11 0.00 1.11 0.00 0.00 32.58 32.30 3is9 s HIS 361 CO 0.74 0.32 1.28 -0.08 -0.85 0.00 0.00 174.74 176.15 3is9 s THR 362 N -2.90 0.00 0.04 1.30 -1.32 -0.71 -5.00 115.64 107.06 3is9 s THR 362 Ca 0.34 -0.21 -0.17 0.00 -1.21 0.00 0.00 61.69 60.44 3is9 s THR 362 Cb 0.08 -2.44 0.03 0.00 -1.51 0.00 0.00 72.50 68.66 3is9 s THR 362 CO 0.16 0.00 0.39 0.54 -2.21 0.00 0.00 174.62 173.50 3is9 s ASN 363 N -3.34 -0.25 0.27 8.08 2.20 -1.26 -0.37 114.94 120.27 3is9 s ASN 363 Ca 0.21 -0.05 -0.04 0.00 -0.94 0.00 0.00 52.86 52.04 3is9 s ASN 363 Cb 0.02 0.41 0.35 0.00 -2.00 0.00 0.00 41.25 40.03 3is9 s ASN 363 CO -0.02 -0.65 1.92 0.44 -2.94 0.00 0.00 177.10 175.85 3is9 h ASP 364 N 3.06 1.08 -0.26 3.54 3.32 -1.95 -2.66 116.42 122.55 3is9 h ASP 364 Ca -0.31 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3is9 h ASP 364 Cb 1.20 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 3is9 h ASP 364 CO 0.44 0.75 0.16 0.58 -1.72 0.00 0.00 179.24 179.45 3is9 h VAL 365 N 1.25 1.09 -0.75 -1.35 2.07 -1.97 0.90 116.25 117.49 3is9 h VAL 365 Ca 0.38 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 3is9 h VAL 365 Cb -0.03 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3is9 h VAL 365 CO -0.11 0.08 0.45 0.11 0.02 0.00 0.00 177.57 178.12 3is9 h LYS 366 N 0.34 1.01 -0.56 1.57 1.57 -1.95 -0.56 116.57 117.99 3is9 h LYS 366 Ca 0.09 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3is9 h LYS 366 Cb -0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 3is9 h LYS 366 CO -0.02 0.71 0.23 1.96 -0.57 0.00 0.00 179.45 181.75 3is9 h GLN 367 N 1.03 0.84 0.07 3.15 4.20 -1.02 -1.21 115.11 122.17 3is9 h GLN 367 Ca 0.27 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 3is9 h GLN 367 Cb -0.04 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.60 3is9 h GLN 367 CO -0.05 0.73 -0.03 1.25 -0.67 0.00 0.00 178.83 180.05 3is9 h LEU 368 N 0.77 -0.08 -0.78 1.46 5.85 -0.19 -1.11 115.31 121.22 3is9 h LEU 368 Ca 0.19 -0.05 0.15 0.00 0.84 0.00 0.00 57.88 59.01 3is9 h LEU 368 Cb 0.20 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.15 3is9 h LEU 368 CO -0.02 0.00 0.33 0.74 -0.34 0.00 0.00 178.44 179.15 3is9 h THR 369 N -0.16 0.64 -0.24 1.05 2.02 -0.86 0.63 112.91 115.99 3is9 h THR 369 Ca -0.01 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3is9 h THR 369 Cb 0.13 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3is9 h THR 369 CO 0.02 0.08 0.09 -0.33 0.37 0.00 0.00 175.52 175.75 3is9 h GLU 370 N 0.46 0.35 -0.47 6.66 5.08 -0.65 -2.12 114.58 123.89 3is9 h GLU 370 Ca 0.44 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.78 3is9 h GLU 370 Cb 0.68 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 3is9 h GLU 370 CO -0.42 0.41 0.21 0.00 -1.00 0.00 0.00 179.01 178.21 3is9 h ALA 371 N 0.93 0.58 -0.70 3.43 0.00 -0.04 -1.92 119.26 121.55 3is9 h ALA 371 Ca 0.08 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3is9 h ALA 371 Cb 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3is9 h ALA 371 CO -0.01 -0.15 0.39 0.28 0.00 0.00 0.00 179.25 179.76 3is9 h VAL 372 N 0.43 0.96 -0.59 0.00 2.07 -0.73 -0.64 116.25 117.74 3is9 h VAL 372 Ca 0.21 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3is9 h VAL 372 Cb 0.15 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3is9 h VAL 372 CO -0.17 0.13 0.09 1.56 0.02 0.00 0.00 177.57 179.20 3is9 h GLN 373 N 0.71 0.95 0.04 1.57 1.08 -0.86 -0.97 115.11 117.62 3is9 h GLN 373 Ca 0.32 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3is9 h GLN 373 Cb 0.22 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3is9 h GLN 373 CO -0.19 0.88 -0.02 -0.22 -0.95 0.00 0.00 178.83 178.33 3is9 h LYS 374 N 0.89 -0.05 -0.68 1.46 3.64 -0.65 -1.23 116.57 119.96 3is9 h LYS 374 Ca 0.18 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3is9 h LYS 374 Cb 0.40 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3is9 h LYS 374 CO 0.01 0.08 0.36 0.82 -2.27 0.00 0.00 179.45 178.45 3is9 h ILE 375 N -0.18 1.21 0.15 2.00 2.04 -1.02 -0.16 117.51 121.55 3is9 h ILE 375 Ca -0.01 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 3is9 h ILE 375 Cb 0.16 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3is9 h ILE 375 CO 0.01 0.24 -0.07 0.74 0.00 0.00 0.00 178.15 179.06 3is9 h THR 376 N 0.95 0.90 -0.67 -0.27 2.02 -0.90 0.12 112.91 115.07 3is9 h THR 376 Ca 0.24 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 3is9 h THR 376 Cb 0.04 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3is9 h THR 376 CO -0.04 0.05 0.30 0.74 0.37 0.00 0.00 175.52 176.95 3is9 h THR 377 N -0.31 1.23 -0.39 3.16 2.02 -0.93 -0.97 112.91 116.73 3is9 h THR 377 Ca -0.02 -0.67 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 3is9 h THR 377 Cb 0.24 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3is9 h THR 377 CO 0.03 0.27 -0.01 -0.08 0.37 0.00 0.00 175.52 176.11 3is9 h GLU 378 N 0.93 0.62 -0.38 6.66 4.81 -0.89 -2.09 114.58 124.24 3is9 h GLU 378 Ca 0.23 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 3is9 h GLU 378 Cb 0.15 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3is9 h GLU 378 CO -0.03 0.65 -0.23 0.77 -0.73 0.00 0.00 179.01 179.44 3is9 h SER 379 N 0.58 0.86 -0.66 1.04 0.02 -0.24 -0.68 113.55 114.47 3is9 h SER 379 Ca 0.12 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 3is9 h SER 379 Cb 0.39 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3is9 h SER 379 CO 0.02 1.09 0.34 0.40 -1.14 0.00 0.00 176.83 177.54 3is9 h ILE 380 N 0.62 1.22 0.80 3.27 1.08 -0.97 0.48 117.51 124.01 3is9 h ILE 380 Ca 0.08 -0.58 -0.04 0.00 -0.39 0.00 0.00 64.86 63.93 3is9 h ILE 380 Cb 0.80 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 3is9 h ILE 380 CO 0.07 0.25 -0.45 0.58 -0.69 0.00 0.00 178.15 177.90 3is9 h VAL 381 N 0.91 0.09 -0.28 1.67 2.07 -1.23 0.48 116.25 119.96 3is9 h VAL 381 Ca 0.23 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.68 3is9 h VAL 381 Cb 0.08 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3is9 h VAL 381 CO -0.03 0.00 -0.10 0.40 0.02 0.00 0.00 177.57 177.86 3is9 h ILE 382 N -1.16 1.29 -0.00 4.57 1.08 -0.94 -3.39 117.51 118.96 3is9 h ILE 382 Ca -0.11 -1.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.20 3is9 h ILE 382 Cb 0.91 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.12 3is9 h ILE 382 CO 0.13 0.37 0.00 0.79 -0.69 0.00 0.00 178.15 178.75 3is9 n TRP 383 N -4.47 0.00 -1.06 1.37 8.01 0.17 -4.64 117.44 116.82 3is9 n TRP 383 Ca -0.03 -0.01 -0.02 0.00 -1.31 0.00 0.00 57.50 56.12 3is9 n TRP 383 Cb 0.34 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.63 3is9 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3is9 n GLY 384 N 0.07 0.50 3.35 6.99 0.00 0.16 -4.97 105.19 111.28 3is9 n GLY 384 Ca 0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3is9 n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3is9 s LYS 385 N -1.28 1.12 -0.05 1.61 -2.85 -1.25 -4.93 119.74 112.11 3is9 s LYS 385 Ca 0.00 -0.77 -0.23 0.00 -1.00 0.00 0.00 55.97 53.97 3is9 s LYS 385 Cb 0.00 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 3is9 s LYS 385 CO 0.00 -0.44 0.68 0.99 0.10 0.00 0.00 175.35 176.68 3is9 s THR 386 N -3.83 5.01 0.61 3.79 2.01 -1.26 -3.60 115.64 118.37 3is9 s THR 386 Ca 0.05 1.41 -0.12 0.00 0.31 0.00 0.00 61.69 63.34 3is9 s THR 386 Cb 0.02 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 3is9 s THR 386 CO -0.10 0.29 1.03 -2.16 -0.69 0.00 0.00 174.62 172.99 3is9 s PRO 387 N 0.58 3.60 0.12 4.92 0.04 -1.26 -4.92 135.00 138.08 3is9 s PRO 387 Ca 0.36 0.81 -0.27 0.00 0.04 0.00 0.00 61.00 61.94 3is9 s PRO 387 Cb -0.18 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 3is9 s PRO 387 CO 0.18 -0.57 0.83 0.15 0.04 0.00 0.00 177.00 177.63 3is9 s LYS 388 N -4.98 4.61 0.07 4.56 1.02 0.10 -4.81 119.74 120.31 3is9 s LYS 388 Ca 0.56 1.23 -0.03 0.00 0.02 0.00 0.00 55.97 57.74 3is9 s LYS 388 Cb -0.11 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 3is9 s LYS 388 CO 0.50 0.39 0.28 -0.06 -0.92 0.00 0.00 175.35 175.54 3is9 s PHE 389 N -0.52 3.52 -0.48 3.18 0.40 -0.76 -0.65 117.98 122.65 3is9 s PHE 389 Ca 0.40 0.44 0.03 0.00 -0.60 0.00 0.00 56.93 57.20 3is9 s PHE 389 Cb -0.23 -1.91 0.14 0.00 0.51 0.00 0.00 43.02 41.54 3is9 s PHE 389 CO 0.27 0.54 0.27 0.15 0.70 0.00 0.00 175.22 177.15 3is9 s LYS 390 N -2.35 1.58 0.03 0.44 1.02 -0.55 -0.27 119.74 119.64 3is9 s LYS 390 Ca 0.35 -2.31 -0.01 0.00 0.02 0.00 0.00 55.97 54.02 3is9 s LYS 390 Cb -0.13 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 3is9 s LYS 390 CO 0.23 -1.16 0.20 -0.51 -0.92 0.00 0.00 175.35 173.19 3is9 s LEU 391 N 0.00 4.36 -1.37 3.17 1.43 0.80 -3.78 118.68 123.30 3is9 s LEU 391 Ca 0.19 0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 53.52 3is9 s LEU 391 Cb -0.22 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 3is9 s LEU 391 CO -0.02 0.20 2.82 -0.81 0.23 0.00 0.00 176.35 178.77 3is9 n PRO 392 N 0.55 3.84 -3.73 1.29 -0.04 -1.26 -0.34 135.00 135.31 3is9 n PRO 392 Ca -0.07 -2.54 -0.12 0.00 -0.04 0.00 0.00 63.50 60.72 3is9 n PRO 392 Cb 0.52 -2.66 -0.10 0.00 -0.04 0.00 0.00 33.50 31.21 3is9 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3is9 s ILE 393 N 0.81 -0.01 0.39 0.52 2.07 -1.26 -0.56 121.20 123.16 3is9 s ILE 393 Ca 0.64 0.03 -0.25 0.00 -1.41 0.00 0.00 60.65 59.66 3is9 s ILE 393 Cb 0.20 -0.57 -0.09 0.00 0.13 0.00 0.00 42.46 42.13 3is9 s ILE 393 CO -0.07 0.01 1.07 -1.10 -1.91 0.00 0.00 174.94 172.93 3is9 s GLN 394 N 0.52 4.18 0.16 3.50 -1.52 -1.26 -4.49 119.66 120.75 3is9 s GLN 394 Ca -0.02 1.57 -0.16 0.00 -1.95 0.00 0.00 55.36 54.80 3is9 s GLN 394 Cb -0.04 -2.60 0.09 0.00 -0.22 0.00 0.00 33.01 30.23 3is9 s GLN 394 CO -0.03 -0.14 1.71 0.87 -0.25 0.00 0.00 175.29 177.45 3is9 h LYS 395 N 2.61 0.11 -0.89 2.91 1.79 -1.99 -0.76 116.57 120.36 3is9 h LYS 395 Ca -0.48 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.04 3is9 h LYS 395 Cb 1.22 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.78 3is9 h LYS 395 CO 0.63 0.08 0.55 0.93 -1.08 0.00 0.00 179.45 180.56 3is9 h GLU 396 N 0.12 0.98 -0.16 3.15 5.08 -1.99 -0.23 114.58 121.53 3is9 h GLU 396 Ca 0.18 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3is9 h GLU 396 Cb 0.25 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3is9 h GLU 396 CO -0.29 0.65 0.10 1.15 -1.00 0.00 0.00 179.01 179.62 3is9 h THR 397 N 1.01 1.05 -0.76 1.13 2.02 -1.66 -0.69 112.91 115.02 3is9 h THR 397 Ca 0.39 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.40 3is9 h THR 397 Cb 0.17 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3is9 h THR 397 CO -0.17 0.05 0.27 -0.25 0.37 0.00 0.00 175.52 175.78 3is9 h TRP 398 N 0.20 1.19 -0.15 3.16 2.91 -0.63 -1.20 115.95 121.43 3is9 h TRP 398 Ca 0.06 -0.11 -0.01 0.00 1.13 0.00 0.00 58.89 59.96 3is9 h TRP 398 Cb -0.00 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 28.29 3is9 h TRP 398 CO -0.06 0.92 0.05 1.49 -1.03 0.00 0.00 178.44 179.81 3is9 h GLU 399 N 1.11 0.23 -0.28 2.65 4.81 -0.75 -1.48 114.58 120.88 3is9 h GLU 399 Ca 0.25 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 3is9 h GLU 399 Cb 0.27 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 3is9 h GLU 399 CO -0.01 0.35 -0.01 1.15 -0.73 0.00 0.00 179.01 179.76 3is9 h THR 400 N 0.07 0.79 0.70 0.32 2.02 -0.95 -1.91 112.91 113.95 3is9 h THR 400 Ca 0.05 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 3is9 h THR 400 Cb 0.21 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3is9 h THR 400 CO -0.00 0.01 -0.47 -0.25 0.37 0.00 0.00 175.52 175.18 3is9 h TRP 401 N 0.07 -1.27 -0.29 3.16 2.91 -1.00 -2.86 115.95 116.66 3is9 h TRP 401 Ca 0.13 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.07 3is9 h TRP 401 Cb 0.18 0.46 -0.02 0.00 -0.51 0.00 0.00 29.16 29.28 3is9 h TRP 401 CO -0.22 -0.69 -0.15 0.11 -1.03 0.00 0.00 178.44 176.46 3is9 h TRP 402 N -1.11 0.55 0.00 2.65 5.08 -1.23 -0.03 115.95 121.86 3is9 h TRP 402 Ca -0.09 -0.09 -0.02 0.00 1.08 0.00 0.00 58.89 59.77 3is9 h TRP 402 Cb 0.91 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 26.92 3is9 h TRP 402 CO -0.14 0.64 -0.10 1.79 -1.28 0.00 0.00 178.44 179.35 3is9 h THR 403 N 0.47 0.26 -0.01 0.12 1.35 -1.36 -3.06 112.91 110.68 3is9 h THR 403 Ca 0.08 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3is9 h THR 403 Cb 0.53 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3is9 h THR 403 CO 0.03 0.09 -0.38 -0.62 -0.25 0.00 0.00 175.52 174.39 3is9 n GLU 404 N -3.25 1.99 -2.42 4.72 -0.58 -1.07 -4.98 120.64 115.05 3is9 n GLU 404 Ca 0.00 -0.55 -0.41 0.00 -0.42 0.00 0.00 57.16 55.78 3is9 n GLU 404 Cb 0.34 -1.20 -0.04 0.00 -0.57 0.00 0.00 31.44 29.98 3is9 n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3is9 s TYR 405 N -1.87 3.48 0.44 -0.32 5.04 -0.05 -4.91 117.35 119.17 3is9 s TYR 405 Ca 0.10 1.50 0.26 0.00 -2.44 0.00 0.00 57.07 56.49 3is9 s TYR 405 Cb 0.11 -3.38 1.43 0.00 0.35 0.00 0.00 41.96 40.48 3is9 s TYR 405 CO 0.41 -0.98 2.09 0.11 -1.34 0.00 0.00 175.55 175.83 3is9 h TRP 406 N 5.06 0.00 -2.40 4.97 5.08 -1.90 -3.43 115.95 123.33 3is9 h TRP 406 Ca -0.45 0.00 -0.45 0.00 1.08 0.00 0.00 58.89 59.07 3is9 h TRP 406 Cb 1.21 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.39 3is9 h TRP 406 CO 0.62 0.11 -0.22 -0.65 -1.28 0.00 0.00 178.44 177.02 3is9 s GLN 407 N -4.33 3.18 0.02 0.12 -0.21 -1.26 -5.07 119.66 112.11 3is9 s GLN 407 Ca -0.03 -0.66 -0.29 0.00 0.02 0.00 0.00 55.36 54.40 3is9 s GLN 407 Cb 0.14 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 3is9 s GLN 407 CO 0.60 -0.04 0.92 0.00 -2.12 0.00 0.00 175.29 174.65 3is9 s ALA 408 N -2.34 3.22 0.06 6.09 0.00 -1.26 -5.04 121.76 122.49 3is9 s ALA 408 Ca 0.45 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 3is9 s ALA 408 Cb -0.10 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3is9 s ALA 408 CO 0.35 -0.14 0.27 -0.08 0.00 0.00 0.00 175.76 176.15 3is9 s THR 409 N 0.67 0.10 -0.17 0.00 -1.32 -1.26 -5.17 115.64 108.49 3is9 s THR 409 Ca 0.48 -0.83 -0.29 0.00 -1.21 0.00 0.00 61.69 59.84 3is9 s THR 409 Cb -0.21 -1.06 0.11 0.00 -1.51 0.00 0.00 72.50 69.83 3is9 s THR 409 CO 0.27 -0.46 0.91 0.86 -2.21 0.00 0.00 174.62 173.99 3is9 s TRP 410 N -3.02 -0.49 -0.04 9.09 -0.00 -1.26 -5.03 118.94 118.19 3is9 s TRP 410 Ca -0.02 0.97 0.06 0.00 -0.00 0.00 0.00 56.10 57.11 3is9 s TRP 410 Cb 0.01 0.41 -0.01 0.00 -0.00 0.00 0.00 33.47 33.88 3is9 s TRP 410 CO -0.06 -0.38 -0.21 0.42 -0.00 0.00 0.00 176.95 176.72 3is9 s ILE 411 N -0.70 1.73 1.25 5.86 -1.09 -1.26 -5.02 121.20 121.98 3is9 s ILE 411 Ca -0.02 -0.90 -0.20 0.00 -2.23 0.00 0.00 60.65 57.29 3is9 s ILE 411 Cb -0.02 -1.47 0.30 0.00 -1.58 0.00 0.00 42.46 39.70 3is9 s ILE 411 CO 0.02 0.49 1.09 -2.16 -1.23 0.00 0.00 174.94 173.14 3is9 s PRO 412 N -0.18 -1.57 -0.16 2.79 0.04 -1.26 -4.85 135.00 129.81 3is9 s PRO 412 Ca -0.00 -0.08 -0.42 0.00 0.04 0.00 0.00 61.00 60.54 3is9 s PRO 412 Cb -0.11 -1.56 -0.20 0.00 0.04 0.00 0.00 34.50 32.67 3is9 s PRO 412 CO 0.02 -3.94 1.27 -1.91 0.04 0.00 0.00 177.00 172.48 3is9 n GLU 413 N -4.92 0.10 -3.78 4.56 2.13 -1.26 -4.83 120.64 112.63 3is9 n GLU 413 Ca 0.14 0.03 -0.09 0.00 0.66 0.00 0.00 57.16 57.90 3is9 n GLU 413 Cb 0.60 -1.55 -0.04 0.00 0.27 0.00 0.00 31.44 30.72 3is9 n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3is9 s TRP 414 N 1.07 -0.07 0.05 4.31 1.48 -1.26 -1.83 118.94 122.70 3is9 s TRP 414 Ca 0.95 -0.29 0.03 0.00 -1.06 0.00 0.00 56.10 55.73 3is9 s TRP 414 Cb -1.32 0.40 -0.03 0.00 -1.16 0.00 0.00 33.47 31.36 3is9 s TRP 414 CO 0.65 -0.96 -0.10 -1.21 -4.06 0.00 0.00 176.95 171.27 3is9 s GLU 415 N -3.90 0.63 0.34 3.25 2.02 0.62 -4.94 118.70 116.73 3is9 s GLU 415 Ca 0.11 -0.85 -0.27 0.00 0.02 0.00 0.00 54.97 53.99 3is9 s GLU 415 Cb -0.01 -0.46 -0.09 0.00 0.10 0.00 0.00 34.13 33.67 3is9 s GLU 415 CO -0.00 0.09 1.06 0.12 0.02 0.00 0.00 175.26 176.54 3is9 s PHE 416 N -1.45 3.46 -0.13 1.61 5.36 -1.26 -0.14 117.98 125.43 3is9 s PHE 416 Ca -0.06 1.69 -0.01 0.00 -0.96 0.00 0.00 56.93 57.59 3is9 s PHE 416 Cb -0.09 -3.17 0.04 0.00 -0.34 0.00 0.00 43.02 39.46 3is9 s PHE 416 CO 0.01 -0.47 -0.04 0.54 -1.46 0.00 0.00 175.22 173.79 3is9 s VAL 417 N -1.43 0.87 0.00 3.12 0.11 0.54 -4.77 120.40 118.85 3is9 s VAL 417 Ca 0.51 -0.36 -0.02 0.00 -2.93 0.00 0.00 61.98 59.18 3is9 s VAL 417 Cb -0.26 -1.03 -0.11 0.00 -1.53 0.00 0.00 36.38 33.46 3is9 s VAL 417 CO 0.33 0.19 1.73 -3.20 -3.33 0.00 0.00 175.10 170.83 3is9 n ASN 418 N 4.97 2.15 -4.15 3.54 2.85 -1.26 -4.12 115.26 119.24 3is9 n ASN 418 Ca -0.11 -1.89 -0.38 0.00 -0.11 0.00 0.00 54.58 52.10 3is9 n ASN 418 Cb 0.49 -0.58 -0.10 0.00 1.24 0.00 0.00 39.78 40.83 3is9 n ASN 418 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 3is9 s THR 419 N 2.13 3.60 0.93 -0.44 -1.32 -1.26 -5.09 115.64 114.20 3is9 s THR 419 Ca 0.26 -2.04 -0.11 0.00 -1.21 0.00 0.00 61.69 58.60 3is9 s THR 419 Cb 0.12 -3.43 0.12 0.00 -1.51 0.00 0.00 72.50 67.81 3is9 s THR 419 CO 0.00 -0.73 0.96 -2.65 -2.21 0.00 0.00 174.62 169.99 3is9 n PRO 420 N 4.62 -0.48 -2.60 7.08 -0.02 -1.26 -4.49 135.00 137.85 3is9 n PRO 420 Ca -0.03 -0.08 -0.42 0.00 -2.02 0.00 0.00 63.50 60.95 3is9 n PRO 420 Cb 0.41 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3is9 n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3is9 s PRO 421 N -4.38 4.52 0.32 0.52 0.04 -1.26 -4.94 135.00 129.82 3is9 s PRO 421 Ca 0.64 1.56 -0.27 0.00 0.04 0.00 0.00 61.00 62.97 3is9 s PRO 421 Cb -0.23 -3.41 -0.09 0.00 0.04 0.00 0.00 34.50 30.81 3is9 s PRO 421 CO 0.61 -0.11 1.05 -0.51 0.04 0.00 0.00 177.00 178.07 3is9 s LEU 422 N 0.94 4.41 0.12 -3.56 1.43 -1.26 -4.67 118.68 116.09 3is9 s LEU 422 Ca 0.54 2.11 -0.30 0.00 -1.03 0.00 0.00 54.13 55.46 3is9 s LEU 422 Cb -0.24 -3.84 -0.06 0.00 0.03 0.00 0.00 46.19 42.07 3is9 s LEU 422 CO 0.29 -0.21 0.97 -0.69 0.23 0.00 0.00 176.35 176.94 3is9 s VAL 423 N -1.37 4.44 0.34 -1.59 1.01 0.28 -5.02 120.40 118.50 3is9 s VAL 423 Ca 0.49 2.05 -0.05 0.00 0.00 0.00 0.00 61.98 64.46 3is9 s VAL 423 Cb -0.27 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.82 3is9 s VAL 423 CO 0.34 0.32 0.53 -1.59 0.00 0.00 0.00 175.10 174.70 3is9 s LYS 424 N -0.08 1.94 -0.19 2.72 -2.85 -1.26 -4.48 119.74 115.54 3is9 s LYS 424 Ca 0.47 -1.66 -0.16 0.00 -1.00 0.00 0.00 55.97 53.61 3is9 s LYS 424 Cb -0.24 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 3is9 s LYS 424 CO 0.30 -0.82 0.41 -0.51 0.10 0.00 0.00 175.35 174.83 3is9 s LEU 425 N -3.19 4.17 0.05 2.77 1.43 -1.26 -4.80 118.68 117.84 3is9 s LEU 425 Ca 0.27 0.55 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 3is9 s LEU 425 Cb -0.01 -2.53 -0.24 0.00 0.03 0.00 0.00 46.19 43.43 3is9 s LEU 425 CO 0.18 -0.06 1.02 -0.50 0.23 0.00 0.00 176.35 177.22 3is9 h TRP 426 N 7.26 0.18 -4.01 0.29 4.06 -1.98 -3.48 115.95 118.28 3is9 h TRP 426 Ca -0.37 -0.13 -0.13 0.00 2.06 0.00 0.00 58.89 60.33 3is9 h TRP 426 Cb 1.16 -0.01 -0.11 0.00 -1.00 0.00 0.00 29.16 29.20 3is9 h TRP 426 CO 0.67 1.14 -0.32 1.52 -3.56 0.00 0.00 178.44 177.89 3is9 s TYR 427 N -2.66 0.65 -0.25 0.49 -0.85 -1.26 -4.60 117.35 108.87 3is9 s TYR 427 Ca -0.03 -0.96 -0.02 0.00 -0.52 0.00 0.00 57.07 55.53 3is9 s TYR 427 Cb 0.08 -0.10 0.14 0.00 0.38 0.00 0.00 41.96 42.47 3is9 s TYR 427 CO 0.84 -0.84 0.42 -1.14 -1.52 0.00 0.00 175.55 173.30 3is9 s GLN 428 N -4.06 0.39 0.43 -3.49 0.74 -1.26 -5.11 119.66 107.29 3is9 s GLN 428 Ca 0.28 0.60 -0.25 0.00 0.05 0.00 0.00 55.36 56.04 3is9 s GLN 428 Cb 0.02 -0.30 -0.08 0.00 1.10 0.00 0.00 33.01 33.75 3is9 s GLN 428 CO 0.09 -0.65 1.26 -0.51 -0.55 0.00 0.00 175.29 174.94 3is9 s LEU 429 N 2.60 4.15 0.81 3.68 1.43 -1.26 -4.64 118.68 125.44 3is9 s LEU 429 Ca 0.14 2.56 -0.11 0.00 -1.03 0.00 0.00 54.13 55.69 3is9 s LEU 429 Cb -0.15 -4.01 0.08 0.00 0.03 0.00 0.00 46.19 42.14 3is9 s LEU 429 CO -0.17 -0.90 1.09 -1.61 0.23 0.00 0.00 176.35 174.99 3is9 s GLU 430 N -2.38 1.98 -0.09 1.70 0.41 0.12 -4.98 118.70 115.47 3is9 s GLU 430 Ca 0.59 0.92 0.20 0.00 -0.41 0.00 0.00 54.97 56.28 3is9 s GLU 430 Cb -0.36 -1.88 -0.29 0.00 -1.78 0.00 0.00 34.13 29.82 3is9 s GLU 430 CO 0.45 -1.76 0.35 1.63 -0.49 0.00 0.00 175.26 175.44 3is9 n LYS 431 N -3.57 0.67 -4.29 1.61 5.02 -1.26 -4.72 118.16 111.62 3is9 n LYS 431 Ca 0.08 -0.10 -0.16 0.00 -2.02 0.00 0.00 58.31 56.10 3is9 n LYS 431 Cb 0.54 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.92 3is9 n LYS 431 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3is9 s GLU 432 N -3.10 1.19 0.57 1.97 0.41 -1.26 -5.11 118.70 113.38 3is9 s GLU 432 Ca -0.08 -1.52 -0.20 0.00 -0.41 0.00 0.00 54.97 52.76 3is9 s GLU 432 Cb 0.11 -0.85 -0.04 0.00 -1.78 0.00 0.00 34.13 31.57 3is9 s GLU 432 CO 0.87 0.12 1.30 -1.25 -0.49 0.00 0.00 175.26 175.82 3is9 s PRO 433 N -3.70 3.00 -0.19 0.39 0.04 -1.26 -4.82 135.00 128.46 3is9 s PRO 433 Ca 0.19 2.09 -0.21 0.00 0.04 0.00 0.00 61.00 63.11 3is9 s PRO 433 Cb 0.01 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 3is9 s PRO 433 CO 0.03 -1.25 0.63 0.42 0.04 0.00 0.00 177.00 176.88 3is9 s ILE 434 N -1.39 5.02 0.31 0.56 -1.09 -1.26 -5.04 121.20 118.31 3is9 s ILE 434 Ca 0.75 1.20 -0.29 0.00 -2.23 0.00 0.00 60.65 60.08 3is9 s ILE 434 Cb -0.37 -3.95 -0.10 0.00 -1.58 0.00 0.00 42.46 36.46 3is9 s ILE 434 CO 0.42 0.11 1.14 -0.69 -1.23 0.00 0.00 174.94 174.69 3is9 s VAL 435 N 1.89 3.35 0.00 2.92 1.01 -1.26 -3.08 120.40 125.22 3is9 s VAL 435 Ca 0.29 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.58 3is9 s VAL 435 Cb -0.16 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3is9 s VAL 435 CO 0.11 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3is9 n GLY 436 N 1.02 2.93 3.83 4.51 0.00 -1.26 -5.01 105.19 111.21 3is9 n GLY 436 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3is9 n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3is9 s ALA 437 N -2.12 3.37 0.31 4.61 0.00 -1.18 -5.03 121.76 121.71 3is9 s ALA 437 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 3is9 s ALA 437 Cb 0.00 -2.80 -0.10 0.00 0.00 0.00 0.00 23.12 20.22 3is9 s ALA 437 CO 0.00 0.33 1.28 -2.00 0.00 0.00 0.00 175.76 175.37 3is9 s GLU 438 N -2.43 4.39 -0.36 0.00 2.12 -1.26 -4.69 118.70 116.48 3is9 s GLU 438 Ca 0.48 2.15 -0.14 0.00 0.36 0.00 0.00 54.97 57.82 3is9 s GLU 438 Cb -0.14 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 3is9 s GLU 438 CO 0.19 -0.15 0.29 0.99 -0.54 0.00 0.00 175.26 176.05 3is9 s THR 439 N -1.01 5.24 -0.36 -1.70 2.01 -1.26 -1.47 115.64 117.08 3is9 s THR 439 Ca 0.49 -0.22 -0.14 0.00 0.31 0.00 0.00 61.69 62.13 3is9 s THR 439 Cb -0.39 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 3is9 s THR 439 CO 0.50 -0.10 0.30 -0.36 -0.69 0.00 0.00 174.62 174.26 3is9 s PHE 440 N 1.82 3.22 -0.33 4.92 0.40 0.17 -2.46 117.98 125.72 3is9 s PHE 440 Ca 0.08 -0.24 -0.18 0.00 -0.60 0.00 0.00 56.93 55.99 3is9 s PHE 440 Cb -0.17 -2.57 -0.01 0.00 0.51 0.00 0.00 43.02 40.77 3is9 s PHE 440 CO 0.11 -0.44 0.49 0.71 0.70 0.00 0.00 175.22 176.79 3is9 s TYR 441 N 1.82 3.20 0.29 0.36 1.51 -0.32 -0.76 117.35 123.44 3is9 s TYR 441 Ca 0.08 0.24 0.10 0.00 -1.01 0.00 0.00 57.07 56.47 3is9 s TYR 441 Cb -0.17 -2.85 -0.05 0.00 -0.11 0.00 0.00 41.96 38.78 3is9 s TYR 441 CO 0.11 -0.48 -0.01 0.14 -1.11 0.00 0.00 175.55 174.21 3is9 s VAL 442 N 2.33 3.13 -0.08 0.71 -7.23 -0.60 -1.02 120.40 117.63 3is9 s VAL 442 Ca 0.18 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.09 3is9 s VAL 442 Cb -0.16 -2.79 0.12 0.00 0.56 0.00 0.00 36.38 34.11 3is9 s VAL 442 CO 0.12 -0.32 0.99 -0.62 -0.31 0.00 0.00 175.10 174.96 3is9 s ASP 443 N -3.68 -0.31 0.09 4.85 3.68 -0.69 -4.56 116.67 116.04 3is9 s ASP 443 Ca 0.33 0.08 -0.08 0.00 2.13 0.00 0.00 52.55 55.01 3is9 s ASP 443 Cb -0.05 0.31 -0.01 0.00 -1.45 0.00 0.00 42.92 41.72 3is9 s ASP 443 CO 0.20 -0.47 0.17 -0.83 0.13 0.00 0.00 175.17 174.37 3is9 s GLY 444 N -2.12 0.20 -0.26 2.66 0.00 -1.26 -1.48 107.32 105.06 3is9 s GLY 444 Ca 0.05 -0.73 -0.26 0.00 0.00 0.00 0.00 44.72 43.77 3is9 s GLY 444 CO -0.06 -0.88 1.04 0.00 0.00 0.00 0.00 173.10 173.20 3is9 s ALA 445 N -3.88 -1.98 0.30 3.20 0.00 -0.63 -4.68 121.76 114.10 3is9 s ALA 445 Ca 0.07 1.80 0.03 0.00 0.00 0.00 0.00 51.96 53.86 3is9 s ALA 445 Cb 0.05 -1.30 -0.06 0.00 0.00 0.00 0.00 23.12 21.82 3is9 s ALA 445 CO -0.09 -0.25 0.07 0.00 0.00 0.00 0.00 175.76 175.49 3is9 s ALA 446 N -0.07 2.15 -0.26 0.00 0.00 -1.26 -0.97 121.76 121.36 3is9 s ALA 446 Ca 0.02 -1.99 -0.07 0.00 0.00 0.00 0.00 51.96 49.92 3is9 s ALA 446 Cb -0.04 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 3is9 s ALA 446 CO -0.05 -0.35 0.07 1.21 0.00 0.00 0.00 175.76 176.64 3is9 s ASN 447 N -3.43 5.10 0.27 0.00 3.84 0.18 -4.84 114.94 116.06 3is9 s ASN 447 Ca 0.37 -0.31 -0.00 0.00 0.21 0.00 0.00 52.86 53.13 3is9 s ASN 447 Cb 0.08 -1.91 0.63 0.00 -0.55 0.00 0.00 41.25 39.51 3is9 s ASN 447 CO 0.15 -0.07 1.66 0.03 -2.79 0.00 0.00 177.10 176.08 3is9 h ARG 448 N 8.24 0.23 0.00 0.43 3.08 -1.93 0.51 114.38 124.94 3is9 h ARG 448 Ca -0.37 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 3is9 h ARG 448 Cb 1.17 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 3is9 h ARG 448 CO 0.59 0.15 -0.16 0.93 -1.07 0.00 0.00 179.97 180.41 3is9 h GLU 449 N 0.24 0.00 0.00 0.04 3.07 -1.97 -3.38 114.58 112.58 3is9 h GLU 449 Ca 0.51 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.33 3is9 h GLU 449 Cb 0.98 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 3is9 h GLU 449 CO -0.61 0.25 -0.20 1.79 -1.40 0.00 0.00 179.01 178.84 3is9 h THR 450 N -1.00 0.51 -0.58 1.13 1.35 -1.99 -3.46 112.91 108.87 3is9 h THR 450 Ca -0.02 -1.05 -0.25 0.00 -0.55 0.00 0.00 66.41 64.54 3is9 h THR 450 Cb 0.35 1.73 -0.10 0.00 -1.73 0.00 0.00 68.15 68.41 3is9 h THR 450 CO -0.01 0.20 -0.23 0.29 -0.25 0.00 0.00 175.52 175.52 3is9 n LYS 451 N -3.38 -0.86 -3.76 4.72 4.01 0.18 -4.63 118.16 114.44 3is9 n LYS 451 Ca 0.00 0.93 -0.36 0.00 -0.51 0.00 0.00 58.31 58.37 3is9 n LYS 451 Cb 0.41 -4.95 -0.06 0.00 -0.51 0.00 0.00 35.03 29.93 3is9 n LYS 451 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3is9 s LEU 452 N -2.78 4.40 0.39 -0.35 1.43 -1.25 0.17 118.68 120.70 3is9 s LEU 452 Ca 0.00 0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 53.55 3is9 s LEU 452 Cb 0.00 -2.43 0.05 0.00 0.03 0.00 0.00 46.19 43.84 3is9 s LEU 452 CO 0.00 0.33 0.77 -0.83 0.23 0.00 0.00 176.35 176.85 3is9 s GLY 453 N -1.34 0.50 0.05 -3.19 0.00 0.84 0.50 107.32 104.68 3is9 s GLY 453 Ca 0.22 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 44.11 3is9 s GLY 453 CO 0.11 -0.38 -0.06 0.54 0.00 0.00 0.00 173.10 173.31 3is9 s LYS 454 N -2.24 0.57 0.03 2.90 1.02 -0.14 0.19 119.74 122.06 3is9 s LYS 454 Ca 0.17 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.25 3is9 s LYS 454 Cb -0.05 -0.14 -0.02 0.00 -0.52 0.00 0.00 37.83 37.10 3is9 s LYS 454 CO 0.13 -0.00 -0.05 0.00 -0.92 0.00 0.00 175.35 174.50 3is9 s ALA 455 N -2.21 0.37 0.00 5.17 0.00 -0.89 -1.60 121.76 122.60 3is9 s ALA 455 Ca -0.04 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3is9 s ALA 455 Cb -0.04 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3is9 s ALA 455 CO -0.02 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3is9 n GLY 456 N 1.73 -1.27 3.51 0.00 0.00 -0.55 -0.67 105.19 107.94 3is9 n GLY 456 Ca -0.22 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 3is9 n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3is9 s TYR 457 N -2.90 -0.41 -0.01 1.61 -0.85 -0.28 -1.71 117.35 112.79 3is9 s TYR 457 Ca 0.00 0.14 0.01 0.00 -0.52 0.00 0.00 57.07 56.69 3is9 s TYR 457 Cb 0.00 0.56 0.01 0.00 0.38 0.00 0.00 41.96 42.91 3is9 s TYR 457 CO 0.00 -0.92 -0.01 0.14 -1.52 0.00 0.00 175.55 173.23 3is9 s VAL 458 N -3.80 0.18 0.44 -3.49 -7.23 -0.19 -1.68 120.40 104.63 3is9 s VAL 458 Ca 0.04 -0.01 0.07 0.00 -1.81 0.00 0.00 61.98 60.26 3is9 s VAL 458 Cb -0.02 -0.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.67 3is9 s VAL 458 CO -0.08 0.10 0.24 0.42 -0.31 0.00 0.00 175.10 175.46 3is9 s THR 459 N 0.46 2.19 0.38 5.32 -4.23 0.39 -1.18 115.64 118.97 3is9 s THR 459 Ca -0.04 -1.62 0.18 0.00 -1.18 0.00 0.00 61.69 59.02 3is9 s THR 459 Cb -0.07 -2.81 0.18 0.00 1.34 0.00 0.00 72.50 71.13 3is9 s THR 459 CO -0.01 0.00 1.93 -0.55 -0.54 0.00 0.00 174.62 175.45 3is9 h ASN 460 N 1.25 0.00 0.07 3.99 7.08 -1.81 -2.26 115.58 123.91 3is9 h ASN 460 Ca -0.42 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.80 3is9 h ASN 460 Cb 1.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.51 3is9 h ASN 460 CO 0.66 0.25 -0.02 0.29 -2.08 0.00 0.00 177.43 176.54 3is9 n LYS 461 N -3.94 1.16 -0.01 4.14 5.02 -1.26 -4.91 118.16 118.35 3is9 n LYS 461 Ca -0.02 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 3is9 n LYS 461 Cb 0.33 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3is9 n LYS 461 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3is9 n GLY 462 N 1.11 0.34 3.78 0.72 0.00 -0.85 -5.05 105.19 105.25 3is9 n GLY 462 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3is9 n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3is9 s ARG 463 N -0.90 4.05 0.02 1.61 3.52 -1.26 -4.74 118.95 121.24 3is9 s ARG 463 Ca 0.00 2.52 -0.12 0.00 -0.13 0.00 0.00 55.73 58.00 3is9 s ARG 463 Cb 0.00 -2.92 0.02 0.00 -1.56 0.00 0.00 34.95 30.49 3is9 s ARG 463 CO 0.00 -0.56 0.26 -0.65 -0.81 0.00 0.00 175.30 173.54 3is9 s GLN 464 N -2.14 0.69 -0.18 5.12 -0.21 -1.26 -0.46 119.66 121.21 3is9 s GLN 464 Ca 0.54 -0.41 -0.28 0.00 0.02 0.00 0.00 55.36 55.23 3is9 s GLN 464 Cb -0.45 0.30 0.11 0.00 1.00 0.00 0.00 33.01 33.96 3is9 s GLN 464 CO 0.61 -0.20 0.90 0.21 -2.12 0.00 0.00 175.29 174.69 3is9 s LYS 465 N -1.96 0.71 -0.17 2.91 2.20 -0.68 -4.98 119.74 117.77 3is9 s LYS 465 Ca -0.09 0.41 -0.08 0.00 -0.36 0.00 0.00 55.97 55.85 3is9 s LYS 465 Cb -0.03 0.34 0.07 0.00 -1.51 0.00 0.00 37.83 36.69 3is9 s LYS 465 CO -0.00 -0.17 0.38 0.08 -0.36 0.00 0.00 175.35 175.28 3is9 s VAL 466 N -0.57 -0.27 -0.08 4.02 1.01 -1.26 -1.13 120.40 122.12 3is9 s VAL 466 Ca -0.02 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.15 3is9 s VAL 466 Cb -0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 3is9 s VAL 466 CO 0.01 0.06 -0.24 -0.69 0.00 0.00 0.00 175.10 174.24 3is9 s VAL 467 N 1.89 2.06 0.33 2.92 1.01 0.16 -4.97 120.40 123.79 3is9 s VAL 467 Ca -0.06 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.62 3is9 s VAL 467 Cb -0.10 -1.76 -0.10 0.00 0.00 0.00 0.00 36.38 34.42 3is9 s VAL 467 CO -0.12 0.56 0.98 -2.84 0.00 0.00 0.00 175.10 173.69 3is9 s PRO 468 N 0.15 4.50 0.04 2.72 0.02 -1.26 -2.08 135.00 139.08 3is9 s PRO 468 Ca -0.13 1.43 0.03 0.00 0.02 0.00 0.00 61.00 62.35 3is9 s PRO 468 Cb -0.16 -2.80 -0.02 0.00 0.02 0.00 0.00 34.50 31.54 3is9 s PRO 468 CO 0.07 0.18 -0.09 -0.51 -0.33 0.00 0.00 177.00 176.32 3is9 s LEU 469 N -2.10 2.19 0.03 -5.54 1.43 0.51 -4.95 118.68 110.24 3is9 s LEU 469 Ca 0.51 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 53.24 3is9 s LEU 469 Cb -0.21 -0.33 -0.02 0.00 0.03 0.00 0.00 46.19 45.66 3is9 s LEU 469 CO 0.27 -0.08 -0.23 0.42 0.23 0.00 0.00 176.35 176.96 3is9 s THR 470 N -0.99 1.85 -0.88 5.49 -4.23 -1.26 -0.11 115.64 115.50 3is9 s THR 470 Ca -0.04 -1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 59.28 3is9 s THR 470 Cb -0.08 -1.58 -0.01 0.00 1.34 0.00 0.00 72.50 72.18 3is9 s THR 470 CO 0.01 0.35 0.74 -3.20 -0.54 0.00 0.00 174.62 171.97 3is9 n ASN 471 N 2.04 -2.64 -3.93 3.99 5.15 0.13 -4.97 115.26 115.01 3is9 n ASN 471 Ca -0.17 -0.48 -0.26 0.00 -0.60 0.00 0.00 54.58 53.08 3is9 n ASN 471 Cb 0.53 -3.98 -0.07 0.00 -0.53 0.00 0.00 39.78 35.72 3is9 n ASN 471 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3is9 n THR 472 N -3.25 0.00 -4.39 -0.44 5.66 -0.33 -5.05 114.28 106.49 3is9 n THR 472 Ca -0.19 -2.43 -0.21 0.00 -3.05 0.00 0.00 64.05 58.17 3is9 n THR 472 Cb 0.62 0.87 -0.09 0.00 -1.55 0.00 0.00 70.33 70.18 3is9 n THR 472 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3is9 s THR 473 N -3.11 0.42 0.20 1.09 -4.23 -1.26 -4.64 115.64 104.10 3is9 s THR 473 Ca 0.21 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.63 3is9 s THR 473 Cb 0.01 -2.48 0.12 0.00 1.34 0.00 0.00 72.50 71.49 3is9 s THR 473 CO 0.15 0.00 1.73 0.78 -0.54 0.00 0.00 174.62 176.74 3is9 h ASN 474 N 2.08 1.04 -0.78 3.99 2.35 -1.92 -2.05 115.58 120.29 3is9 h ASN 474 Ca -0.34 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.16 3is9 h ASN 474 Cb 1.25 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 3is9 h ASN 474 CO 0.53 0.97 0.32 1.56 -1.65 0.00 0.00 177.43 179.15 3is9 h GLN 475 N 1.05 1.15 -0.34 0.81 4.20 -1.96 -1.76 115.11 118.26 3is9 h GLN 475 Ca 0.23 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 3is9 h GLN 475 Cb 0.30 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3is9 h GLN 475 CO -0.01 0.93 -0.27 0.87 -0.67 0.00 0.00 178.83 179.68 3is9 h LYS 476 N 1.12 0.79 -0.25 1.46 1.57 -1.93 -2.44 116.57 116.89 3is9 h LYS 476 Ca 0.26 -0.39 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3is9 h LYS 476 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3is9 h LYS 476 CO -0.02 1.02 -0.05 1.79 -0.57 0.00 0.00 179.45 181.61 3is9 h THR 477 N 0.56 1.18 -0.54 -0.16 1.35 -1.21 0.65 112.91 114.74 3is9 h THR 477 Ca 0.06 -0.76 -0.09 0.00 -0.55 0.00 0.00 66.41 65.08 3is9 h THR 477 Cb 0.84 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 3is9 h THR 477 CO 0.07 0.25 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.25 3is9 h GLU 478 N 0.37 0.93 -0.07 4.72 5.08 -1.13 -1.66 114.58 122.82 3is9 h GLU 478 Ca 0.08 -0.28 -0.24 0.00 -1.00 0.00 0.00 59.36 57.92 3is9 h GLU 478 Cb 0.34 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.51 3is9 h GLU 478 CO 0.01 0.93 -0.88 -0.07 -1.00 0.00 0.00 179.01 178.00 3is9 h LEU 479 N 0.86 0.90 -0.83 1.33 3.38 -0.86 -3.11 115.31 116.98 3is9 h LEU 479 Ca 0.16 -0.69 0.01 0.00 0.09 0.00 0.00 57.88 57.45 3is9 h LEU 479 Cb 0.53 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3is9 h LEU 479 CO 0.03 1.46 0.55 -0.61 0.09 0.00 0.00 178.44 179.95 3is9 h GLN 480 N 0.42 1.09 -0.25 1.13 5.75 -0.82 -0.53 115.11 121.90 3is9 h GLN 480 Ca -0.09 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.37 3is9 h GLN 480 Cb 1.53 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.81 3is9 h GLN 480 CO 0.18 0.73 0.08 0.00 -2.65 0.00 0.00 178.83 177.17 3is9 h ALA 481 N 1.30 0.28 -1.01 3.38 0.00 -1.33 0.19 119.26 122.07 3is9 h ALA 481 Ca 0.30 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.25 3is9 h ALA 481 Cb -0.13 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3is9 h ALA 481 CO -0.06 -0.33 0.67 0.82 0.00 0.00 0.00 179.25 180.34 3is9 h ILE 482 N 0.20 1.26 -0.76 0.00 2.04 -1.37 -1.86 117.51 117.01 3is9 h ILE 482 Ca 0.11 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.52 3is9 h ILE 482 Cb 0.08 -0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 35.90 3is9 h ILE 482 CO -0.12 0.25 0.50 0.22 0.00 0.00 0.00 178.15 179.00 3is9 h TYR 483 N 1.36 0.95 -0.24 1.37 3.20 0.02 -0.67 116.97 122.97 3is9 h TYR 483 Ca 0.37 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 3is9 h TYR 483 Cb -0.16 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.78 3is9 h TYR 483 CO -0.00 0.59 0.12 -0.07 -1.64 0.00 0.00 178.16 177.16 3is9 h LEU 484 N 1.02 0.31 -0.69 2.82 3.38 0.05 0.14 115.31 122.33 3is9 h LEU 484 Ca 0.28 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.20 3is9 h LEU 484 Cb -0.10 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3is9 h LEU 484 CO -0.07 0.33 0.41 0.00 0.09 0.00 0.00 178.44 179.20 3is9 h ALA 485 N 0.99 0.93 -0.34 1.53 0.00 -1.01 0.52 119.26 121.88 3is9 h ALA 485 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3is9 h ALA 485 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3is9 h ALA 485 CO -0.01 0.13 0.13 -0.07 0.00 0.00 0.00 179.25 179.43 3is9 h LEU 486 N 0.77 0.48 -0.99 0.00 3.38 -0.66 -2.30 115.31 116.00 3is9 h LEU 486 Ca 0.30 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3is9 h LEU 486 Cb 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3is9 h LEU 486 CO -0.15 0.53 0.03 1.56 0.09 0.00 0.00 178.44 180.49 3is9 h GLN 487 N 0.41 0.77 -0.64 1.13 4.20 -0.11 -3.16 115.11 117.70 3is9 h GLN 487 Ca 0.11 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3is9 h GLN 487 Cb 0.20 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3is9 h GLN 487 CO -0.01 0.75 0.00 -0.25 -0.67 0.00 0.00 178.83 178.66 3is9 n ASP 488 N -4.24 3.66 -4.74 1.46 8.00 0.12 -4.96 116.55 115.85 3is9 n ASP 488 Ca 0.03 -2.11 -0.24 0.00 0.71 0.00 0.00 54.79 53.19 3is9 n ASP 488 Cb 0.27 -0.46 -0.07 0.00 -0.02 0.00 0.00 41.12 40.85 3is9 n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3is9 s SER 489 N -0.96 4.57 0.52 -2.24 1.04 -0.88 -5.03 113.70 110.72 3is9 s SER 489 Ca 0.44 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3is9 s SER 489 Cb 0.24 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.75 3is9 s SER 489 CO 0.27 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.69 3is9 n GLY 490 N -1.19 -1.66 0.25 7.32 0.00 -1.26 -4.94 105.19 103.71 3is9 n GLY 490 Ca -0.02 -1.53 0.11 0.00 0.00 0.00 0.00 46.02 44.58 3is9 n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3is9 h LEU 491 N 0.00 0.00 -8.35 0.99 3.38 -1.94 -3.42 115.31 105.97 3is9 h LEU 491 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 3is9 h LEU 491 Cb 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.43 3is9 h LEU 491 CO 0.00 0.17 -0.87 -1.61 0.09 0.00 0.00 178.44 176.21 3is9 s GLU 492 N -4.12 2.73 -0.13 1.13 2.02 -1.26 0.22 118.70 119.29 3is9 s GLU 492 Ca -0.02 -0.84 -0.28 0.00 0.02 0.00 0.00 54.97 53.85 3is9 s GLU 492 Cb 0.13 -2.15 0.07 0.00 0.10 0.00 0.00 34.13 32.28 3is9 s GLU 492 CO 0.61 0.23 0.69 0.54 0.02 0.00 0.00 175.26 177.35 3is9 s VAL 493 N 0.19 0.00 -0.24 2.63 0.11 -0.34 -4.18 120.40 118.58 3is9 s VAL 493 Ca -0.13 -0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.85 3is9 s VAL 493 Cb -0.16 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.67 3is9 s VAL 493 CO 0.07 -0.00 0.05 0.20 -3.33 0.00 0.00 175.10 172.08 3is9 s ASN 494 N -0.58 5.01 -0.13 3.54 0.01 -0.54 -2.05 114.94 120.19 3is9 s ASN 494 Ca -0.07 -0.21 -0.01 0.00 -0.71 0.00 0.00 52.86 51.85 3is9 s ASN 494 Cb -0.02 -1.89 -0.02 0.00 0.41 0.00 0.00 41.25 39.73 3is9 s ASN 494 CO 0.06 -0.01 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.93 3is9 s ILE 495 N 1.45 3.42 -0.17 0.60 1.01 -0.34 0.42 121.20 127.58 3is9 s ILE 495 Ca 0.05 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 3is9 s ILE 495 Cb -0.15 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 3is9 s ILE 495 CO 0.02 0.52 -0.10 -0.69 0.00 0.00 0.00 174.94 174.69 3is9 s VAL 496 N 0.26 3.08 0.15 2.92 1.01 0.06 -0.69 120.40 127.18 3is9 s VAL 496 Ca -0.06 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3is9 s VAL 496 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3is9 s VAL 496 CO 0.04 0.48 -0.04 0.28 0.00 0.00 0.00 175.10 175.86 3is9 s THR 497 N 0.94 0.81 -0.93 3.92 -1.32 -0.67 -1.57 115.64 116.83 3is9 s THR 497 Ca -0.02 -1.99 0.08 0.00 -1.21 0.00 0.00 61.69 58.55 3is9 s THR 497 Cb -0.15 -1.94 0.08 0.00 -1.51 0.00 0.00 72.50 68.99 3is9 s THR 497 CO -0.00 -0.65 0.81 -0.90 -2.21 0.00 0.00 174.62 171.67 3is9 n ASP 498 N -0.18 1.79 -4.56 8.08 5.68 -1.26 -1.23 116.55 124.87 3is9 n ASP 498 Ca -0.09 -1.42 -0.41 0.00 -0.50 0.00 0.00 54.79 52.37 3is9 n ASP 498 Cb 0.62 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.55 3is9 n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3is9 s SER 499 N -0.70 6.05 0.35 -1.12 0.15 -1.26 -4.58 113.70 112.59 3is9 s SER 499 Ca 0.10 -0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.81 3is9 s SER 499 Cb 0.07 -2.55 0.66 0.00 -1.71 0.00 0.00 66.02 62.48 3is9 s SER 499 CO 0.10 -1.83 1.86 1.56 1.20 0.00 0.00 173.24 176.13 3is9 h GLN 500 N 11.05 0.35 -0.66 5.44 4.20 -1.94 -2.14 115.11 131.41 3is9 h GLN 500 Ca -0.27 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.37 3is9 h GLN 500 Cb 1.08 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.78 3is9 h GLN 500 CO 1.22 0.49 0.41 -0.92 -0.67 0.00 0.00 178.83 179.37 3is9 h TYR 501 N 0.33 0.78 -0.01 2.96 3.20 -2.00 -1.18 116.97 121.05 3is9 h TYR 501 Ca 0.06 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3is9 h TYR 501 Cb 0.44 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 3is9 h TYR 501 CO 0.01 0.45 -0.00 0.00 -1.64 0.00 0.00 178.16 176.98 3is9 h ALA 502 N 1.27 0.01 -0.74 1.82 0.00 -1.78 -2.97 119.26 116.87 3is9 h ALA 502 Ca 0.26 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3is9 h ALA 502 Cb -0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3is9 h ALA 502 CO -0.09 -0.31 0.37 -0.07 0.00 0.00 0.00 179.25 179.15 3is9 h LEU 503 N -0.35 0.48 -1.36 0.00 3.38 -1.29 -1.41 115.31 114.77 3is9 h LEU 503 Ca 0.00 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3is9 h LEU 503 Cb 0.36 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3is9 h LEU 503 CO 0.00 0.27 0.49 1.23 0.09 0.00 0.00 178.44 180.52 3is9 h GLY 504 N 0.62 0.99 0.46 0.83 0.00 -1.14 0.29 103.07 105.12 3is9 h GLY 504 Ca 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3is9 h GLY 504 CO -0.28 0.23 -0.12 -2.22 0.00 0.00 0.00 176.54 174.15 3is9 h ILE 505 N 0.77 0.67 -0.61 2.60 1.08 -1.13 -3.16 117.51 117.74 3is9 h ILE 505 Ca 0.32 -0.89 -0.02 0.00 -0.39 0.00 0.00 64.86 63.89 3is9 h ILE 505 Cb 0.27 1.07 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 3is9 h ILE 505 CO -0.11 0.15 0.30 0.40 -0.69 0.00 0.00 178.15 178.21 3is9 h ILE 506 N -0.88 1.20 0.00 -0.67 2.04 -1.09 -2.03 117.51 116.08 3is9 h ILE 506 Ca -0.03 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3is9 h ILE 506 Cb 0.51 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3is9 h ILE 506 CO 0.06 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.43 3is9 n GLN 507 N -4.36 0.07 0.00 2.37 6.02 0.98 -0.91 117.38 121.55 3is9 n GLN 507 Ca 0.06 0.26 0.13 0.00 -0.01 0.00 0.00 57.00 57.44 3is9 n GLN 507 Cb 0.12 -1.63 0.48 0.00 1.02 0.00 0.00 30.24 30.24 3is9 n GLN 507 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3is9 n ALA 508 N -1.60 2.79 -3.56 -1.58 0.00 -0.76 -4.89 120.51 110.90 3is9 n ALA 508 Ca 0.04 -0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.03 3is9 n ALA 508 Cb 0.23 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.39 3is9 n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3is9 n GLN 509 N -1.49 -2.28 -2.78 0.00 6.02 -0.09 -4.95 117.38 111.81 3is9 n GLN 509 Ca 0.07 0.61 -0.33 0.00 -0.01 0.00 0.00 57.00 57.33 3is9 n GLN 509 Cb 0.34 -4.83 -0.06 0.00 1.02 0.00 0.00 30.24 26.70 3is9 n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3is9 s PRO 510 N -5.53 4.17 0.00 -1.09 0.04 -1.26 -4.69 135.00 126.63 3is9 s PRO 510 Ca 0.37 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.63 3is9 s PRO 510 Cb -0.10 -2.17 0.10 0.00 0.04 0.00 0.00 34.50 32.36 3is9 s PRO 510 CO 0.82 -0.09 0.89 -0.40 0.04 0.00 0.00 177.00 178.25 3is9 n ASP 511 N -0.68 1.94 -3.62 6.66 5.68 0.50 -4.96 116.55 122.07 3is9 n ASP 511 Ca 0.07 -1.58 -0.11 0.00 -0.50 0.00 0.00 54.79 52.67 3is9 n ASP 511 Cb 0.54 -0.05 -0.07 0.00 -1.14 0.00 0.00 41.12 40.40 3is9 n ASP 511 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3is9 s LYS 512 N -0.72 0.63 0.15 0.11 2.36 -1.03 -4.99 119.74 116.24 3is9 s LYS 512 Ca 0.09 0.62 -0.02 0.00 -2.55 0.00 0.00 55.97 54.11 3is9 s LYS 512 Cb 0.06 0.30 -0.04 0.00 -1.05 0.00 0.00 37.83 37.10 3is9 s LYS 512 CO 0.08 -0.10 0.10 0.45 1.55 0.00 0.00 175.35 177.42 3is9 s SER 513 N 0.02 0.25 0.12 1.43 0.15 -1.26 -1.73 113.70 112.67 3is9 s SER 513 Ca 0.01 -1.20 -0.07 0.00 0.70 0.00 0.00 55.95 55.39 3is9 s SER 513 Cb -0.04 0.33 -0.12 0.00 -1.71 0.00 0.00 66.02 64.47 3is9 s SER 513 CO -0.03 -0.77 1.28 -0.33 1.20 0.00 0.00 173.24 174.60 3is9 h GLU 514 N 2.79 0.49 -6.34 5.44 4.39 -1.14 -3.44 114.58 116.76 3is9 h GLU 514 Ca -0.35 -0.52 -0.55 0.00 0.34 0.00 0.00 59.36 58.28 3is9 h GLU 514 Cb 1.21 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 3is9 h GLU 514 CO 0.57 1.16 0.72 0.45 -1.16 0.00 0.00 179.01 180.74 3is9 s SER 515 N -7.13 7.01 0.44 1.42 0.15 -1.26 -4.92 113.70 109.41 3is9 s SER 515 Ca -0.07 1.90 0.18 0.00 0.70 0.00 0.00 55.95 58.66 3is9 s SER 515 Cb 0.08 -2.56 1.04 0.00 -1.71 0.00 0.00 66.02 62.87 3is9 s SER 515 CO 0.88 -0.60 1.96 -0.08 1.20 0.00 0.00 173.24 176.60 3is9 h GLU 516 N 7.48 0.00 0.02 5.44 4.81 -1.99 -1.81 114.58 128.53 3is9 h GLU 516 Ca -0.36 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3is9 h GLU 516 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3is9 h GLU 516 CO 0.88 0.22 -0.01 1.25 -0.73 0.00 0.00 179.01 180.62 3is9 h LEU 517 N 0.00 -0.03 -1.19 1.64 5.85 -1.98 -1.34 115.31 118.26 3is9 h LEU 517 Ca -0.00 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.39 3is9 h LEU 517 Cb 0.44 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3is9 h LEU 517 CO 0.03 0.35 0.55 0.58 -0.34 0.00 0.00 178.44 179.61 3is9 h VAL 518 N -0.41 1.16 -0.36 1.05 2.07 -1.91 -2.15 116.25 115.69 3is9 h VAL 518 Ca -0.00 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 3is9 h VAL 518 Cb 0.38 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3is9 h VAL 518 CO 0.01 0.19 -0.12 0.78 0.02 0.00 0.00 177.57 178.45 3is9 h ASN 519 N 1.07 0.62 -0.57 0.57 2.35 -1.13 0.28 115.58 118.77 3is9 h ASN 519 Ca 0.33 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 3is9 h ASN 519 Cb -0.01 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3is9 h ASN 519 CO -0.09 0.77 -0.02 1.56 -1.65 0.00 0.00 177.43 178.00 3is9 h GLN 520 N 0.58 1.03 -0.14 0.81 4.20 -0.64 0.53 115.11 121.48 3is9 h GLN 520 Ca 0.10 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 3is9 h GLN 520 Cb 0.54 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3is9 h GLN 520 CO 0.03 1.03 0.07 0.82 -0.67 0.00 0.00 178.83 180.11 3is9 h ILE 521 N 0.92 1.12 -0.51 2.54 2.04 -1.03 -0.23 117.51 122.36 3is9 h ILE 521 Ca 0.16 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.77 3is9 h ILE 521 Cb 0.58 1.08 -0.08 0.00 -0.74 0.00 0.00 36.82 37.66 3is9 h ILE 521 CO 0.03 0.11 0.07 0.40 0.00 0.00 0.00 178.15 178.76 3is9 h ILE 522 N 0.11 0.67 -0.91 -0.67 1.08 -0.66 0.98 117.51 118.12 3is9 h ILE 522 Ca 0.05 -0.07 0.11 0.00 -0.39 0.00 0.00 64.86 64.56 3is9 h ILE 522 Cb 0.11 0.46 -0.08 0.00 -3.07 0.00 0.00 36.82 34.24 3is9 h ILE 522 CO -0.01 0.04 0.54 -0.33 -0.69 0.00 0.00 178.15 177.70 3is9 h GLU 523 N 0.20 0.85 -0.20 2.37 4.39 -0.23 -0.61 114.58 121.36 3is9 h GLU 523 Ca 0.26 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.84 3is9 h GLU 523 Cb 0.37 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3is9 h GLU 523 CO -0.36 0.56 -0.16 1.96 -1.16 0.00 0.00 179.01 179.85 3is9 h GLN 524 N 0.88 0.45 -0.93 2.33 1.08 0.63 -3.03 115.11 116.52 3is9 h GLN 524 Ca 0.44 -0.23 0.07 0.00 -1.45 0.00 0.00 58.65 57.49 3is9 h GLN 524 Cb 0.43 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.79 3is9 h GLN 524 CO -0.26 0.79 0.58 -0.07 -0.95 0.00 0.00 178.83 178.92 3is9 h LEU 525 N 0.13 0.91 -1.16 1.46 3.38 -0.19 -0.38 115.31 119.46 3is9 h LEU 525 Ca 0.04 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3is9 h LEU 525 Cb 0.69 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3is9 h LEU 525 CO 0.04 0.56 0.58 0.40 0.09 0.00 0.00 178.44 180.11 3is9 h ILE 526 N 1.03 1.13 0.00 1.22 1.08 -1.09 -2.18 117.51 118.71 3is9 h ILE 526 Ca 0.42 -0.37 -0.07 0.00 -0.39 0.00 0.00 64.86 64.44 3is9 h ILE 526 Cb 0.24 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 33.93 3is9 h ILE 526 CO -0.19 0.20 -0.35 0.11 -0.69 0.00 0.00 178.15 177.22 3is9 h LYS 527 N 1.07 0.00 -7.21 2.37 1.57 -0.96 -3.46 116.57 109.95 3is9 h LYS 527 Ca 0.36 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.64 3is9 h LYS 527 Cb 0.07 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.46 3is9 h LYS 527 CO -0.11 0.35 0.37 0.15 -0.57 0.00 0.00 179.45 179.64 3is9 s LYS 528 N -3.58 3.08 -0.13 3.15 -0.14 -0.82 -4.99 119.74 116.32 3is9 s LYS 528 Ca 0.00 1.25 -0.04 0.00 -1.36 0.00 0.00 55.97 55.83 3is9 s LYS 528 Cb 0.11 -2.00 -0.25 0.00 -1.68 0.00 0.00 37.83 34.01 3is9 s LYS 528 CO 0.68 -1.01 0.33 0.39 -0.76 0.00 0.00 175.35 174.98 3is9 n GLU 529 N -2.28 0.74 -3.70 1.68 1.02 0.13 -4.94 120.64 113.28 3is9 n GLU 529 Ca 0.09 0.25 -0.11 0.00 -0.02 0.00 0.00 57.16 57.37 3is9 n GLU 529 Cb 0.53 -1.70 -0.11 0.00 -0.02 0.00 0.00 31.44 30.14 3is9 n GLU 529 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3is9 s LYS 530 N -2.56 0.38 -0.06 3.49 1.02 -0.58 -4.99 119.74 116.44 3is9 s LYS 530 Ca -0.22 0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.51 3is9 s LYS 530 Cb 0.07 -0.01 0.02 0.00 -0.52 0.00 0.00 37.83 37.39 3is9 s LYS 530 CO 0.76 -0.15 -0.03 0.08 -0.92 0.00 0.00 175.35 175.09 3is9 s VAL 531 N 1.25 0.51 -0.22 3.17 1.01 -1.26 -1.20 120.40 123.67 3is9 s VAL 531 Ca -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 3is9 s VAL 531 Cb -0.08 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.74 3is9 s VAL 531 CO -0.11 0.24 -0.12 -0.47 0.00 0.00 0.00 175.10 174.65 3is9 s TYR 532 N 1.31 2.96 -0.31 5.22 5.04 -0.87 -0.71 117.35 129.99 3is9 s TYR 532 Ca -0.05 -1.58 -0.11 0.00 -2.44 0.00 0.00 57.07 52.89 3is9 s TYR 532 Cb -0.14 -2.00 -0.02 0.00 0.35 0.00 0.00 41.96 40.15 3is9 s TYR 532 CO -0.02 -0.75 0.20 -1.17 -1.34 0.00 0.00 175.55 172.47 3is9 s LEU 533 N 1.31 4.26 0.02 6.97 2.96 -1.26 -1.20 118.68 131.73 3is9 s LEU 533 Ca 0.02 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 3is9 s LEU 533 Cb -0.15 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 3is9 s LEU 533 CO -0.08 -0.17 -0.10 0.00 -1.32 0.00 0.00 176.35 174.68 3is9 s ALA 534 N 1.70 2.90 -0.04 5.97 0.00 0.13 -4.99 121.76 127.43 3is9 s ALA 534 Ca 0.06 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.99 3is9 s ALA 534 Cb -0.17 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 3is9 s ALA 534 CO 0.09 0.61 -0.17 -0.46 0.00 0.00 0.00 175.76 175.83 3is9 s TRP 535 N -0.99 2.61 0.04 0.00 -0.00 -1.26 -1.67 118.94 117.67 3is9 s TRP 535 Ca 0.17 -0.24 0.04 0.00 -0.00 0.00 0.00 56.10 56.07 3is9 s TRP 535 Cb -0.11 -1.60 -0.02 0.00 -0.00 0.00 0.00 33.47 31.74 3is9 s TRP 535 CO 0.07 0.12 -0.12 0.14 -0.00 0.00 0.00 176.95 177.17 3is9 s VAL 536 N -0.68 0.91 0.36 5.86 -7.23 -0.37 -4.96 120.40 114.30 3is9 s VAL 536 Ca 0.11 -1.03 -0.27 0.00 -1.81 0.00 0.00 61.98 58.98 3is9 s VAL 536 Cb -0.11 -0.87 -0.09 0.00 0.56 0.00 0.00 36.38 35.87 3is9 s VAL 536 CO 0.00 -0.13 1.25 -2.16 -0.31 0.00 0.00 175.10 173.74 3is9 s PRO 537 N -1.30 4.25 1.00 4.82 0.04 -1.26 -4.04 135.00 138.50 3is9 s PRO 537 Ca -0.02 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 3is9 s PRO 537 Cb -0.08 -2.93 0.19 0.00 0.04 0.00 0.00 34.50 31.71 3is9 s PRO 537 CO 0.01 -0.23 1.08 0.00 0.04 0.00 0.00 177.00 177.91 3is9 s ALA 538 N -1.23 0.87 -1.86 8.56 0.00 -1.26 -4.13 121.76 122.72 3is9 s ALA 538 Ca 0.52 -0.15 -0.22 0.00 0.00 0.00 0.00 51.96 52.10 3is9 s ALA 538 Cb -0.36 -3.19 0.22 0.00 0.00 0.00 0.00 23.12 19.79 3is9 s ALA 538 CO 0.47 -2.89 0.57 0.72 0.00 0.00 0.00 175.76 174.63 3is9 n HIS 539 N -4.24 -1.20 -0.42 0.00 8.25 -1.26 -4.81 115.22 111.53 3is9 n HIS 539 Ca 0.06 0.69 0.05 0.00 -0.26 0.00 0.00 57.72 58.26 3is9 n HIS 539 Cb 0.56 -1.99 0.11 0.00 1.12 0.00 0.00 29.99 29.79 3is9 n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3is9 n LYS 540 N -4.11 2.61 -2.77 -0.41 4.76 -1.26 -4.97 118.16 112.01 3is9 n LYS 540 Ca 0.09 -2.08 -0.19 0.00 -2.87 0.00 0.00 58.31 53.25 3is9 n LYS 540 Cb 0.47 -1.31 0.02 0.00 -1.84 0.00 0.00 35.03 32.37 3is9 n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3is9 n GLY 541 N -0.41 -0.35 0.29 0.72 0.00 -1.26 -4.84 105.19 99.33 3is9 n GLY 541 Ca 0.10 -0.03 0.18 0.00 0.00 0.00 0.00 46.02 46.27 3is9 n GLY 541 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3is9 h ILE 542 N -0.91 0.05 -2.65 -0.61 1.08 -1.93 -3.48 117.51 109.05 3is9 h ILE 542 Ca -0.45 -0.42 0.16 0.00 -0.39 0.00 0.00 64.86 63.76 3is9 h ILE 542 Cb 1.32 1.40 -0.09 0.00 -3.07 0.00 0.00 36.82 36.38 3is9 h ILE 542 CO 0.49 0.01 -0.86 0.61 -0.69 0.00 0.00 178.15 177.71 3is9 n GLY 543 N -0.24 -3.40 4.68 5.37 0.00 -1.26 -4.55 105.19 105.80 3is9 n GLY 543 Ca -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3is9 n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3is9 n GLY 544 N -3.21 0.82 0.04 -0.02 0.00 -1.26 -3.65 105.19 97.92 3is9 n GLY 544 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 3is9 n GLY 544 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3is9 n ASN 545 N 0.26 1.60 0.10 1.61 2.85 -1.26 -3.90 115.26 116.52 3is9 n ASN 545 Ca 0.00 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.25 3is9 n ASN 545 Cb 0.00 1.19 -0.15 0.00 1.24 0.00 0.00 39.78 42.06 3is9 n ASN 545 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3is9 h GLU 546 N 0.00 0.48 0.27 1.20 4.39 -1.85 -2.80 114.58 116.27 3is9 h GLU 546 Ca -0.22 -0.75 -0.01 0.00 0.34 0.00 0.00 59.36 58.72 3is9 h GLU 546 Cb 1.36 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 3is9 h GLU 546 CO 0.01 1.35 -0.13 0.37 -1.16 0.00 0.00 179.01 179.45 3is9 h GLN 547 N -0.01 -0.35 -0.45 2.33 4.15 -1.84 -2.80 115.11 116.14 3is9 h GLN 547 Ca -0.20 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.23 3is9 h GLN 547 Cb 1.89 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.64 3is9 h GLN 547 CO 0.22 -0.10 0.21 -0.24 -1.93 0.00 0.00 178.83 176.99 3is9 h VAL 548 N -0.56 1.16 -0.43 2.39 3.04 -1.73 -2.35 116.25 117.76 3is9 h VAL 548 Ca -0.04 -0.45 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3is9 h VAL 548 Cb 0.41 0.59 -0.02 0.00 -2.01 0.00 0.00 31.29 30.26 3is9 h VAL 548 CO 0.06 0.18 0.26 -0.78 -1.01 0.00 0.00 177.57 176.28 3is9 h ASP 549 N 0.63 0.50 -0.01 3.17 3.58 -1.40 -0.36 116.42 122.53 3is9 h ASP 549 Ca 0.16 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 3is9 h ASP 549 Cb 0.08 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.01 3is9 h ASP 549 CO -0.02 0.39 -0.09 0.50 -2.88 0.00 0.00 179.24 177.14 3is9 h LYS 550 N 0.59 0.07 -0.34 0.28 1.63 -1.16 -2.83 116.57 114.81 3is9 h LYS 550 Ca 0.16 -0.07 0.05 0.00 -0.85 0.00 0.00 60.65 59.94 3is9 h LYS 550 Cb -0.03 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 3is9 h LYS 550 CO -0.03 0.79 0.23 -0.07 -3.45 0.00 0.00 179.45 176.92 3is9 h LEU 551 N -0.62 0.21 0.00 5.20 3.38 -1.16 -2.57 115.31 119.75 3is9 h LEU 551 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3is9 h LEU 551 Cb 0.81 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3is9 h LEU 551 CO 0.02 0.14 -0.37 0.58 0.09 0.00 0.00 178.44 178.89 3is9 h VAL 552 N 0.24 0.00 -1.89 1.22 2.07 -1.10 -3.47 116.25 113.33 3is9 h VAL 552 Ca 0.15 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3is9 h VAL 552 Cb 0.29 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3is9 h VAL 552 CO -0.03 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.02 3is9 n SER 553 N -2.91 0.00 0.00 0.57 3.41 -0.97 -3.53 113.62 110.19 3is9 n SER 553 Ca 0.03 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3is9 n SER 553 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3is9 n SER 553 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88