#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kk3 s ILE 2 N 0.00 3.58 -0.04 4.25 -1.09 -1.26 -4.69 121.20 121.94 3kk3 s ILE 2 Ca 0.00 -0.42 -0.38 0.00 -2.23 0.00 0.00 60.65 57.61 3kk3 s ILE 2 Cb 0.00 -2.63 -0.19 0.00 -1.58 0.00 0.00 42.46 38.06 3kk3 s ILE 2 CO 0.00 0.41 1.05 -0.24 -1.23 0.00 0.00 174.94 174.93 3kk3 n SER 3 N 4.77 0.09 0.00 3.58 2.88 -0.77 -4.73 113.62 119.44 3kk3 n SER 3 Ca -0.18 1.10 0.04 0.00 -1.33 0.00 0.00 58.87 58.49 3kk3 n SER 3 Cb 0.51 -0.86 0.21 0.00 -0.75 0.00 0.00 64.21 63.32 3kk3 n SER 3 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3kk3 n PRO 4 N 1.62 0.33 -1.47 -1.46 -0.02 -1.26 -4.66 135.00 128.09 3kk3 n PRO 4 Ca 0.20 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.37 3kk3 n PRO 4 Cb 0.06 -1.33 0.06 0.00 -0.02 0.00 0.00 33.50 32.27 3kk3 n PRO 4 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3kk3 s ILE 5 N -2.00 3.80 0.24 4.25 2.07 -1.26 -4.99 121.20 123.31 3kk3 s ILE 5 Ca 0.11 0.58 -0.28 0.00 -1.41 0.00 0.00 60.65 59.66 3kk3 s ILE 5 Cb 0.05 -3.24 -0.09 0.00 0.13 0.00 0.00 42.46 39.31 3kk3 s ILE 5 CO 0.08 -0.76 0.90 -0.70 -1.91 0.00 0.00 174.94 172.55 3kk3 s GLU 6 N -5.00 4.70 0.91 3.50 2.12 -1.26 -4.80 118.70 118.88 3kk3 s GLU 6 Ca 0.59 1.35 -0.11 0.00 0.36 0.00 0.00 54.97 57.17 3kk3 s GLU 6 Cb -0.15 -3.14 0.14 0.00 0.26 0.00 0.00 34.13 31.24 3kk3 s GLU 6 CO 0.55 0.47 1.12 0.95 -0.54 0.00 0.00 175.26 177.81 3kk3 s THR 7 N -1.30 2.37 -0.28 -1.70 -4.23 -1.26 -4.95 115.64 104.29 3kk3 s THR 7 Ca 0.42 0.12 -0.08 0.00 -1.18 0.00 0.00 61.69 60.97 3kk3 s THR 7 Cb -0.23 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 3kk3 s THR 7 CO 0.28 -0.16 0.11 -0.69 -0.54 0.00 0.00 174.62 173.62 3kk3 s VAL 8 N -2.70 4.38 0.24 2.29 1.01 -1.26 -4.97 120.40 119.38 3kk3 s VAL 8 Ca 0.65 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 3kk3 s VAL 8 Cb -0.21 -3.16 -0.13 0.00 0.00 0.00 0.00 36.38 32.87 3kk3 s VAL 8 CO 0.58 0.18 1.45 -2.65 0.00 0.00 0.00 175.10 174.66 3kk3 n PRO 9 N 4.94 2.14 -4.23 2.72 -0.02 -1.26 -4.44 135.00 134.85 3kk3 n PRO 9 Ca -0.15 0.76 -0.17 0.00 -2.02 0.00 0.00 63.50 61.92 3kk3 n PRO 9 Cb 0.50 -2.45 -0.15 0.00 -0.02 0.00 0.00 33.50 31.38 3kk3 n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kk3 s VAL 10 N 0.03 0.52 0.15 -1.45 1.01 -1.26 -5.08 120.40 114.33 3kk3 s VAL 10 Ca 0.68 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.46 3kk3 s VAL 10 Cb -0.63 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3kk3 s VAL 10 CO 0.48 0.16 -0.12 -0.54 0.00 0.00 0.00 175.10 175.09 3kk3 s LYS 11 N 0.01 1.11 0.45 2.72 1.02 -1.26 -4.67 119.74 119.13 3kk3 s LYS 11 Ca 0.00 -1.44 -0.16 0.00 0.02 0.00 0.00 55.97 54.40 3kk3 s LYS 11 Cb -0.04 -0.79 -0.08 0.00 -0.52 0.00 0.00 37.83 36.40 3kk3 s LYS 11 CO -0.00 0.12 0.90 -0.51 -0.92 0.00 0.00 175.35 174.94 3kk3 s LEU 12 N -3.05 3.78 0.48 3.17 1.43 -1.26 -1.65 118.68 121.58 3kk3 s LEU 12 Ca 0.16 1.47 -0.23 0.00 -1.03 0.00 0.00 54.13 54.50 3kk3 s LEU 12 Cb 0.00 -4.36 -0.09 0.00 0.03 0.00 0.00 46.19 41.78 3kk3 s LEU 12 CO 0.02 -0.46 1.07 0.29 0.23 0.00 0.00 176.35 177.50 3kk3 n LYS 13 N -1.20 1.37 -1.72 1.70 5.02 0.18 -4.64 118.16 118.87 3kk3 n LYS 13 Ca 0.05 0.50 -0.42 0.00 -2.02 0.00 0.00 58.31 56.42 3kk3 n LYS 13 Cb 0.54 -2.18 -0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3kk3 n LYS 13 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3kk3 n PRO 14 N -0.25 2.27 -0.55 1.97 -0.02 -1.26 -2.67 135.00 134.49 3kk3 n PRO 14 Ca 0.10 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3kk3 n PRO 14 Cb 0.42 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3kk3 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kk3 n GLY 15 N 0.67 1.52 3.51 -1.23 0.00 -1.26 -5.01 105.19 103.38 3kk3 n GLY 15 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3kk3 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kk3 s MET 16 N -0.14 2.54 0.60 1.61 -1.94 -1.09 -5.12 119.30 115.76 3kk3 s MET 16 Ca 0.00 -0.67 0.09 0.00 -1.71 0.00 0.00 55.69 53.40 3kk3 s MET 16 Cb 0.00 -2.43 0.10 0.00 2.01 0.00 0.00 34.83 34.51 3kk3 s MET 16 CO 0.00 0.63 0.84 0.34 -0.01 0.00 0.00 175.02 176.82 3kk3 s ASP 17 N -0.83 4.97 1.00 3.03 2.15 -1.26 -4.80 116.67 120.94 3kk3 s ASP 17 Ca 0.12 -0.88 -0.00 0.00 0.43 0.00 0.00 52.55 52.22 3kk3 s ASP 17 Cb -0.11 0.42 0.00 0.00 -0.30 0.00 0.00 42.92 42.94 3kk3 s ASP 17 CO 0.01 -1.46 0.00 0.61 -0.17 0.00 0.00 175.17 174.17 3kk3 n GLY 18 N -2.33 -2.83 3.79 2.66 0.00 -1.26 -4.96 105.19 100.25 3kk3 n GLY 18 Ca 0.17 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 3kk3 n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kk3 s PRO 19 N -3.00 4.44 -0.55 1.61 0.04 -1.26 -5.01 135.00 131.26 3kk3 s PRO 19 Ca 0.00 1.03 0.07 0.00 0.04 0.00 0.00 61.00 62.14 3kk3 s PRO 19 Cb -0.00 -3.16 0.28 0.00 0.04 0.00 0.00 34.50 31.66 3kk3 s PRO 19 CO 0.00 0.54 0.75 1.63 0.04 0.00 0.00 177.00 179.95 3kk3 n LYS 20 N 1.40 2.19 -4.45 4.56 4.76 -1.25 -1.71 118.16 123.66 3kk3 n LYS 20 Ca -0.06 -4.31 -0.34 0.00 -2.87 0.00 0.00 58.31 50.74 3kk3 n LYS 20 Cb 0.50 -2.00 -0.10 0.00 -1.84 0.00 0.00 35.03 31.59 3kk3 n LYS 20 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3kk3 s VAL 21 N -2.66 3.98 -0.21 -0.18 1.01 0.16 -4.90 120.40 117.60 3kk3 s VAL 21 Ca 0.41 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.65 3kk3 s VAL 21 Cb 0.20 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3kk3 s VAL 21 CO -0.07 0.52 0.87 -1.59 0.00 0.00 0.00 175.10 174.83 3kk3 s LYS 22 N -1.10 4.25 -0.26 2.72 0.00 -1.26 -4.12 119.74 119.97 3kk3 s LYS 22 Ca 0.15 1.06 -0.28 0.00 0.00 0.00 0.00 55.97 56.90 3kk3 s LYS 22 Cb -0.11 -3.61 -0.04 0.00 0.00 0.00 0.00 37.83 34.06 3kk3 s LYS 22 CO 0.05 -0.46 2.14 -1.14 0.00 0.00 0.00 175.35 175.93 3kk3 s GLN 23 N 2.62 3.12 0.54 1.78 2.00 -1.26 -4.77 119.66 123.69 3kk3 s GLN 23 Ca 0.38 1.86 -0.11 0.00 -2.00 0.00 0.00 55.36 55.49 3kk3 s GLN 23 Cb -0.16 -4.35 -0.05 0.00 0.80 0.00 0.00 33.01 29.26 3kk3 s GLN 23 CO 0.09 -2.11 0.94 1.67 -0.50 0.00 0.00 175.29 175.38 3kk3 s TRP 24 N 8.19 3.56 0.56 1.67 1.48 -1.26 -5.02 118.94 128.12 3kk3 s TRP 24 Ca 0.96 1.21 -0.20 0.00 -1.06 0.00 0.00 56.10 57.00 3kk3 s TRP 24 Cb -0.30 -2.62 -0.04 0.00 -1.16 0.00 0.00 33.47 29.35 3kk3 s TRP 24 CO 0.34 -0.46 1.25 -2.14 -4.06 0.00 0.00 176.95 171.88 3kk3 s PRO 25 N -4.67 3.12 0.04 3.25 0.02 -1.26 -4.95 135.00 130.55 3kk3 s PRO 25 Ca 0.54 1.96 -0.07 0.00 0.02 0.00 0.00 61.00 63.45 3kk3 s PRO 25 Cb -0.11 -2.10 -0.01 0.00 0.02 0.00 0.00 34.50 32.31 3kk3 s PRO 25 CO 0.44 -1.12 0.12 -0.51 -0.33 0.00 0.00 177.00 175.61 3kk3 s LEU 26 N -3.75 1.68 0.73 -5.54 1.43 -1.26 -5.13 118.68 106.84 3kk3 s LEU 26 Ca 0.74 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 53.18 3kk3 s LEU 26 Cb -0.34 0.71 0.04 0.00 0.03 0.00 0.00 46.19 46.63 3kk3 s LEU 26 CO 0.38 -0.53 1.24 0.42 0.23 0.00 0.00 176.35 178.09 3kk3 s THR 27 N -2.69 2.10 0.39 5.49 -4.23 -1.26 -4.75 115.64 110.68 3kk3 s THR 27 Ca -0.04 0.05 0.31 0.00 -1.18 0.00 0.00 61.69 60.83 3kk3 s THR 27 Cb -0.01 -2.72 0.34 0.00 1.34 0.00 0.00 72.50 71.45 3kk3 s THR 27 CO -0.05 -0.02 2.10 -0.08 -0.54 0.00 0.00 174.62 176.03 3kk3 h GLU 28 N -0.19 0.00 0.00 3.99 4.81 -1.97 0.18 114.58 121.39 3kk3 h GLU 28 Ca -0.48 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.62 3kk3 h GLU 28 Cb 1.31 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 3kk3 h GLU 28 CO 0.50 0.08 -0.60 1.49 -0.73 0.00 0.00 179.01 179.74 3kk3 h GLU 29 N 0.00 0.00 0.02 1.92 4.81 -1.99 0.15 114.58 119.49 3kk3 h GLU 29 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3kk3 h GLU 29 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3kk3 h GLU 29 CO 0.01 0.60 -0.10 0.87 -0.73 0.00 0.00 179.01 179.66 3kk3 h LYS 30 N 0.00 0.04 -0.73 1.92 1.57 -1.80 -2.85 116.57 114.73 3kk3 h LYS 30 Ca -0.01 -0.07 0.19 0.00 -1.87 0.00 0.00 60.65 58.90 3kk3 h LYS 30 Cb 1.18 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 3kk3 h LYS 30 CO 0.08 1.03 0.51 0.82 -0.57 0.00 0.00 179.45 181.32 3kk3 h ILE 31 N -0.92 0.68 0.12 1.86 2.04 -0.77 2.00 117.51 122.53 3kk3 h ILE 31 Ca -0.02 -0.05 -0.18 0.00 1.00 0.00 0.00 64.86 65.61 3kk3 h ILE 31 Cb 1.08 0.54 0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3kk3 h ILE 31 CO 0.02 0.02 -0.79 0.50 0.00 0.00 0.00 178.15 177.90 3kk3 h LYS 32 N 0.13 0.32 -0.61 2.37 1.63 -0.86 -2.88 116.57 116.67 3kk3 h LYS 32 Ca 0.35 -0.51 0.04 0.00 -0.85 0.00 0.00 60.65 59.69 3kk3 h LYS 32 Cb 1.21 0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.98 3kk3 h LYS 32 CO -0.05 1.23 0.40 0.00 -3.45 0.00 0.00 179.45 177.58 3kk3 h ALA 33 N 0.12 1.73 0.04 5.00 0.00 0.51 -0.59 119.26 126.07 3kk3 h ALA 33 Ca -0.13 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 3kk3 h ALA 33 Cb 1.60 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3kk3 h ALA 33 CO 0.15 0.19 -1.03 -0.07 0.00 0.00 0.00 179.25 178.49 3kk3 h LEU 34 N 0.66 0.45 -1.33 0.00 3.38 0.27 -2.63 115.31 116.11 3kk3 h LEU 34 Ca 0.25 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3kk3 h LEU 34 Cb 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kk3 h LEU 34 CO -0.07 1.23 -0.14 0.58 0.09 0.00 0.00 178.44 180.14 3kk3 h VAL 35 N 0.16 1.19 -0.33 1.22 2.07 -1.07 0.41 116.25 119.90 3kk3 h VAL 35 Ca -0.09 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 3kk3 h VAL 35 Cb 1.70 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3kk3 h VAL 35 CO 0.17 0.27 -0.13 -0.33 0.02 0.00 0.00 177.57 177.56 3kk3 h GLU 36 N 0.27 0.67 0.17 1.57 5.08 -1.06 -2.13 114.58 119.14 3kk3 h GLU 36 Ca 0.05 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3kk3 h GLU 36 Cb 0.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3kk3 h GLU 36 CO 0.02 0.87 -0.08 0.82 -1.00 0.00 0.00 179.01 179.64 3kk3 h ILE 37 N 0.44 0.96 0.00 3.13 2.04 -1.13 -3.08 117.51 119.87 3kk3 h ILE 37 Ca 0.08 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3kk3 h ILE 37 Cb 0.66 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3kk3 h ILE 37 CO 0.04 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.36 3kk3 n THR 39 N -0.80 1.52 -0.07 0.00 -1.04 -0.80 -3.58 114.28 109.51 3kk3 n THR 39 Ca 0.07 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.47 3kk3 n THR 39 Cb 0.03 -1.61 0.02 0.00 -1.82 0.00 0.00 70.33 66.96 3kk3 n THR 39 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3kk3 h GLU 40 N -0.36 0.78 -0.48 -2.82 4.57 -1.47 0.19 114.58 115.00 3kk3 h GLU 40 Ca -0.61 -0.43 -0.03 0.00 -1.18 0.00 0.00 59.36 57.12 3kk3 h GLU 40 Cb 1.80 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.38 3kk3 h GLU 40 CO -0.20 1.06 0.19 0.52 -1.18 0.00 0.00 179.01 179.39 3kk3 h MET 41 N 0.63 0.68 -0.13 1.92 2.86 -1.60 0.15 114.93 119.44 3kk3 h MET 41 Ca 0.04 -0.10 -0.18 0.00 -2.06 0.00 0.00 59.70 57.41 3kk3 h MET 41 Cb 1.00 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 3kk3 h MET 41 CO 0.10 0.56 -0.66 1.49 1.06 0.00 0.00 176.91 179.46 3kk3 h GLU 42 N 0.67 0.51 0.00 1.72 4.57 -1.52 -2.02 114.58 118.51 3kk3 h GLU 42 Ca 0.16 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 3kk3 h GLU 42 Cb 0.14 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 3kk3 h GLU 42 CO -0.02 0.99 -0.06 -0.22 -1.18 0.00 0.00 179.01 178.53 3kk3 h LYS 43 N 0.36 0.00 -0.69 1.92 3.64 0.74 -3.10 116.57 119.44 3kk3 h LYS 43 Ca -0.02 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.87 3kk3 h LYS 43 Cb 1.23 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.70 3kk3 h LYS 43 CO 0.12 0.06 -0.48 0.39 -2.27 0.00 0.00 179.45 177.27 3kk3 n GLU 44 N -4.25 3.15 -0.56 1.90 1.02 -0.09 -4.96 120.64 116.84 3kk3 n GLU 44 Ca -0.03 -3.88 0.00 0.00 -0.02 0.00 0.00 57.16 53.23 3kk3 n GLU 44 Cb 0.14 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3kk3 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kk3 n GLY 45 N -0.81 0.00 0.14 0.62 0.00 -1.14 -4.71 105.19 99.29 3kk3 n GLY 45 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.41 3kk3 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kk3 h LYS 46 N 0.00 0.13 -4.14 1.61 1.79 -1.66 -3.42 116.57 110.88 3kk3 h LYS 46 Ca 0.00 -0.11 -0.38 0.00 -2.18 0.00 0.00 60.65 57.98 3kk3 h LYS 46 Cb 0.19 0.02 -0.32 0.00 -1.58 0.00 0.00 32.23 30.54 3kk3 h LYS 46 CO 0.00 0.76 -0.77 0.96 -1.08 0.00 0.00 179.45 179.33 3kk3 s ILE 47 N -3.54 0.50 -0.20 1.86 -4.36 -1.11 0.12 121.20 114.48 3kk3 s ILE 47 Ca -0.03 -0.16 -0.08 0.00 -0.26 0.00 0.00 60.65 60.13 3kk3 s ILE 47 Cb 0.12 -0.50 -0.04 0.00 1.25 0.00 0.00 42.46 43.29 3kk3 s ILE 47 CO 0.79 0.19 0.08 -0.44 0.24 0.00 0.00 174.94 175.81 3kk3 s SER 48 N 0.57 5.73 0.20 4.36 0.01 -0.15 -4.26 113.70 120.17 3kk3 s SER 48 Ca -0.07 0.09 -0.30 0.00 1.31 0.00 0.00 55.95 56.97 3kk3 s SER 48 Cb -0.11 -1.99 -0.09 0.00 0.21 0.00 0.00 66.02 64.03 3kk3 s SER 48 CO -0.00 0.15 1.42 -0.75 0.41 0.00 0.00 173.24 174.47 3kk3 s LYS 49 N 0.52 4.29 0.26 12.44 2.20 -1.26 -0.33 119.74 137.86 3kk3 s LYS 49 Ca 0.04 2.22 0.11 0.00 -0.36 0.00 0.00 55.97 57.99 3kk3 s LYS 49 Cb -0.12 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 3kk3 s LYS 49 CO 0.01 -0.42 -0.15 0.96 -0.36 0.00 0.00 175.35 175.39 3kk3 s ILE 50 N 0.38 2.77 0.00 5.43 -4.36 -1.03 -4.87 121.20 119.51 3kk3 s ILE 50 Ca 0.61 -2.19 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 3kk3 s ILE 50 Cb -0.40 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 40.86 3kk3 s ILE 50 CO 0.38 -0.34 0.00 0.61 0.24 0.00 0.00 174.94 175.83 3kk3 n GLY 51 N -0.56 0.16 0.00 6.27 0.00 -1.26 -4.51 105.19 105.29 3kk3 n GLY 51 Ca -0.07 -1.82 0.14 0.00 0.00 0.00 0.00 46.02 44.27 3kk3 n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kk3 n PRO 52 N -0.53 0.80 -0.23 1.61 -0.04 -1.26 -3.32 135.00 132.03 3kk3 n PRO 52 Ca 0.00 0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.53 3kk3 n PRO 52 Cb 0.00 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 3kk3 n PRO 52 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3kk3 n GLU 53 N -1.05 2.06 -3.51 0.54 0.00 -1.26 -4.60 120.64 112.82 3kk3 n GLU 53 Ca 0.20 -1.51 -0.42 0.00 0.00 0.00 0.00 57.16 55.43 3kk3 n GLU 53 Cb 0.12 -1.37 -0.09 0.00 0.00 0.00 0.00 31.44 30.09 3kk3 n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3kk3 s ASN 54 N -0.95 5.89 0.55 -1.84 3.84 -1.21 -4.96 114.94 116.26 3kk3 s ASN 54 Ca 0.28 -1.31 0.31 0.00 0.21 0.00 0.00 52.86 52.34 3kk3 s ASN 54 Cb 0.15 -2.08 1.60 0.00 -0.55 0.00 0.00 41.25 40.37 3kk3 s ASN 54 CO 0.18 -0.55 2.12 1.55 -2.79 0.00 0.00 177.10 177.61 3kk3 h PRO 55 N 8.57 0.00 -6.94 0.43 0.13 -1.92 -3.46 132.00 128.81 3kk3 h PRO 55 Ca -0.26 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.38 3kk3 h PRO 55 Cb 1.10 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.26 3kk3 h PRO 55 CO 0.79 0.08 0.13 0.71 -0.23 0.00 0.00 178.00 179.49 3kk3 s TYR 56 N -4.16 3.54 -0.28 1.56 1.51 -1.26 -4.84 117.35 113.43 3kk3 s TYR 56 Ca -0.03 0.91 -0.25 0.00 -1.01 0.00 0.00 57.07 56.69 3kk3 s TYR 56 Cb 0.13 -2.37 0.11 0.00 -0.11 0.00 0.00 41.96 39.72 3kk3 s TYR 56 CO 0.55 -0.26 0.98 1.21 -1.11 0.00 0.00 175.55 176.93 3kk3 s ASN 57 N -3.84 -0.49 0.02 2.29 2.47 -0.69 -4.74 114.94 109.95 3kk3 s ASN 57 Ca 0.49 0.95 0.04 0.00 0.42 0.00 0.00 52.86 54.75 3kk3 s ASN 57 Cb -0.10 0.96 -0.02 0.00 -1.45 0.00 0.00 41.25 40.64 3kk3 s ASN 57 CO 0.42 -0.17 -0.12 0.28 -3.72 0.00 0.00 177.10 173.79 3kk3 s THR 58 N 0.22 0.91 0.23 -5.21 -1.32 -0.12 0.36 115.64 110.72 3kk3 s THR 58 Ca 0.03 -0.78 -0.31 0.00 -1.21 0.00 0.00 61.69 59.42 3kk3 s THR 58 Cb -0.05 -0.82 -0.11 0.00 -1.51 0.00 0.00 72.50 70.01 3kk3 s THR 58 CO -0.05 0.05 1.64 -2.84 -2.21 0.00 0.00 174.62 171.21 3kk3 s PRO 59 N -0.83 4.15 -0.26 7.08 0.02 -1.26 -4.26 135.00 139.63 3kk3 s PRO 59 Ca 0.01 2.54 0.01 0.00 0.02 0.00 0.00 61.00 63.59 3kk3 s PRO 59 Cb -0.06 -3.07 0.07 0.00 0.02 0.00 0.00 34.50 31.46 3kk3 s PRO 59 CO 0.00 -0.67 -0.02 0.54 -0.33 0.00 0.00 177.00 176.53 3kk3 s VAL 60 N 0.72 1.59 0.05 3.83 0.11 -1.26 -0.57 120.40 124.87 3kk3 s VAL 60 Ca 0.69 -1.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 3kk3 s VAL 60 Cb -0.48 -1.95 0.01 0.00 -1.53 0.00 0.00 36.38 32.43 3kk3 s VAL 60 CO 0.38 -0.26 0.07 2.22 -3.33 0.00 0.00 175.10 174.17 3kk3 n PHE 61 N 4.61 -3.29 -3.59 1.54 1.16 -0.45 -4.91 117.46 112.53 3kk3 n PHE 61 Ca -0.08 -0.13 -0.16 0.00 -1.87 0.00 0.00 57.45 55.20 3kk3 n PHE 61 Cb 0.43 -0.05 -0.07 0.00 -1.61 0.00 0.00 39.48 38.18 3kk3 n PHE 61 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3kk3 s ALA 62 N -2.68 -1.56 -0.04 1.98 0.00 -1.26 -2.50 121.76 115.70 3kk3 s ALA 62 Ca 0.05 1.27 -0.08 0.00 0.00 0.00 0.00 51.96 53.21 3kk3 s ALA 62 Cb -0.00 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3kk3 s ALA 62 CO 0.03 -0.34 0.18 0.96 0.00 0.00 0.00 175.76 176.60 3kk3 s ILE 63 N -0.84 0.04 0.35 0.00 -4.36 -1.20 -4.94 121.20 110.24 3kk3 s ILE 63 Ca -0.09 -0.31 -0.27 0.00 -0.26 0.00 0.00 60.65 59.72 3kk3 s ILE 63 Cb -0.02 -0.36 -0.09 0.00 1.25 0.00 0.00 42.46 43.23 3kk3 s ILE 63 CO 0.07 -0.17 1.19 -0.54 0.24 0.00 0.00 174.94 175.73 3kk3 s LYS 64 N -0.59 4.31 -0.12 0.37 1.02 -1.26 -0.48 119.74 122.99 3kk3 s LYS 64 Ca -0.07 1.95 0.01 0.00 0.02 0.00 0.00 55.97 57.88 3kk3 s LYS 64 Cb -0.04 -2.94 0.02 0.00 -0.52 0.00 0.00 37.83 34.35 3kk3 s LYS 64 CO 0.01 -0.13 -0.15 0.21 -0.92 0.00 0.00 175.35 174.37 3kk3 s LYS 65 N -1.91 2.26 -0.57 1.68 2.47 -0.35 -4.89 119.74 118.44 3kk3 s LYS 65 Ca 0.51 -0.57 -0.15 0.00 -1.56 0.00 0.00 55.97 54.20 3kk3 s LYS 65 Cb -0.34 -1.97 0.02 0.00 -1.46 0.00 0.00 37.83 34.09 3kk3 s LYS 65 CO 0.44 -0.11 0.64 1.63 0.16 0.00 0.00 175.35 178.11 3kk3 n LYS 66 N 4.36 -1.90 -0.74 4.03 5.02 -1.26 -3.42 118.16 124.25 3kk3 n LYS 66 Ca -0.18 1.60 0.00 0.00 -2.02 0.00 0.00 58.31 57.71 3kk3 n LYS 66 Cb 0.51 -4.32 0.00 0.00 -0.02 0.00 0.00 35.03 31.20 3kk3 n LYS 66 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kk3 n ASP 67 N -0.98 -3.13 0.02 4.39 9.92 -1.26 -4.68 116.55 120.82 3kk3 n ASP 67 Ca -0.03 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.27 3kk3 n ASP 67 Cb 0.56 -2.93 -0.10 0.00 -0.64 0.00 0.00 41.12 38.01 3kk3 n ASP 67 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3kk3 n SER 68 N -0.45 0.55 -1.87 -2.24 7.64 -1.22 -4.93 113.62 111.09 3kk3 n SER 68 Ca 0.00 0.23 -0.17 0.00 1.01 0.00 0.00 58.87 59.94 3kk3 n SER 68 Cb 0.26 0.74 -0.05 0.00 -1.01 0.00 0.00 64.21 64.16 3kk3 n SER 68 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3kk3 n THR 69 N -2.69 -0.33 -3.25 0.44 -1.04 -1.26 -4.98 114.28 101.17 3kk3 n THR 69 Ca -0.10 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.53 3kk3 n THR 69 Cb 0.76 -1.92 -0.06 0.00 -1.82 0.00 0.00 70.33 67.29 3kk3 n THR 69 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3kk3 s LYS 70 N -4.09 4.34 0.58 -2.82 -2.85 -1.26 -4.94 119.74 108.69 3kk3 s LYS 70 Ca 0.00 0.58 -0.17 0.00 -1.00 0.00 0.00 55.97 55.38 3kk3 s LYS 70 Cb 0.00 -3.41 -0.04 0.00 -2.06 0.00 0.00 37.83 32.31 3kk3 s LYS 70 CO 0.00 0.20 1.06 -1.58 0.10 0.00 0.00 175.35 175.13 3kk3 s TRP 71 N 0.44 2.94 -0.12 1.78 0.52 -1.26 -1.21 118.94 122.03 3kk3 s TRP 71 Ca 0.29 1.53 -0.02 0.00 0.02 0.00 0.00 56.10 57.92 3kk3 s TRP 71 Cb -0.16 -3.05 0.04 0.00 -1.15 0.00 0.00 33.47 29.14 3kk3 s TRP 71 CO 0.13 -1.14 0.00 1.03 0.02 0.00 0.00 176.95 176.99 3kk3 s ARG 72 N -3.86 0.76 0.85 4.98 0.52 0.36 -4.83 118.95 117.72 3kk3 s ARG 72 Ca 0.65 -0.12 -0.16 0.00 -0.52 0.00 0.00 55.73 55.58 3kk3 s ARG 72 Cb -0.17 -1.43 -0.07 0.00 0.52 0.00 0.00 34.95 33.80 3kk3 s ARG 72 CO 0.33 -0.41 -0.02 1.17 0.02 0.00 0.00 175.30 176.39 3kk3 n LYS 73 N 5.08 0.00 -3.31 3.54 4.81 -1.26 -3.26 118.16 123.76 3kk3 n LYS 73 Ca -0.08 0.03 0.02 0.00 -0.87 0.00 0.00 58.31 57.41 3kk3 n LYS 73 Cb 0.49 -1.46 -0.04 0.00 0.02 0.00 0.00 35.03 34.04 3kk3 n LYS 73 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3kk3 s LEU 74 N 2.89 -0.41 0.06 3.14 2.96 -1.04 -4.86 118.68 121.42 3kk3 s LEU 74 Ca 0.54 0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 54.95 3kk3 s LEU 74 Cb -0.28 1.46 -0.05 0.00 0.50 0.00 0.00 46.19 47.82 3kk3 s LEU 74 CO 0.70 -0.08 0.27 -0.69 -1.32 0.00 0.00 176.35 175.23 3kk3 s VAL 75 N 2.35 5.31 -0.78 1.68 1.01 -1.26 -1.34 120.40 127.37 3kk3 s VAL 75 Ca -0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 3kk3 s VAL 75 Cb -0.05 -3.60 0.21 0.00 0.00 0.00 0.00 36.38 32.94 3kk3 s VAL 75 CO -0.17 0.19 0.69 -0.62 0.00 0.00 0.00 175.10 175.19 3kk3 s ASP 76 N -2.22 6.39 -0.09 3.32 -1.08 0.26 -4.74 116.67 118.51 3kk3 s ASP 76 Ca 0.34 -2.73 0.05 0.00 -0.52 0.00 0.00 52.55 49.69 3kk3 s ASP 76 Cb -0.13 -2.12 0.32 0.00 -1.46 0.00 0.00 42.92 39.53 3kk3 s ASP 76 CO 0.23 -0.52 0.98 0.49 0.52 0.00 0.00 175.17 176.87 3kk3 n PHE 77 N 3.85 0.81 -0.14 -5.34 3.72 -1.26 -4.32 117.46 114.78 3kk3 n PHE 77 Ca 0.12 -0.28 0.26 0.00 -0.05 0.00 0.00 57.45 57.50 3kk3 n PHE 77 Cb 0.45 -0.26 0.71 0.00 -0.94 0.00 0.00 39.48 39.44 3kk3 n PHE 77 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3kk3 h ARG 78 N 1.54 0.01 0.16 -1.08 2.43 -1.90 0.14 114.38 115.67 3kk3 h ARG 78 Ca 0.00 -0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 3kk3 h ARG 78 Cb 1.08 -0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3kk3 h ARG 78 CO 0.19 0.00 -1.20 0.93 -1.51 0.00 0.00 179.97 178.38 3kk3 h GLU 79 N 0.01 0.34 -0.98 0.20 4.39 -1.99 -2.94 114.58 113.60 3kk3 h GLU 79 Ca 0.38 -0.58 0.01 0.00 0.34 0.00 0.00 59.36 59.51 3kk3 h GLU 79 Cb 1.53 0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 30.35 3kk3 h GLU 79 CO -0.01 1.28 0.65 1.25 -1.16 0.00 0.00 179.01 181.02 3kk3 h LEU 80 N -0.21 1.12 -0.92 1.33 6.46 -1.39 -1.75 115.31 119.95 3kk3 h LEU 80 Ca -0.23 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.46 3kk3 h LEU 80 Cb 1.82 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 41.44 3kk3 h LEU 80 CO 0.15 0.81 0.26 0.78 -0.62 0.00 0.00 178.44 179.83 3kk3 h ASN 81 N 1.33 0.97 -0.77 1.25 2.35 -0.88 0.76 115.58 120.58 3kk3 h ASN 81 Ca 0.36 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3kk3 h ASN 81 Cb -0.15 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 37.92 3kk3 h ASN 81 CO -0.08 0.88 0.51 0.11 -1.65 0.00 0.00 177.43 177.20 3kk3 h LYS 82 N 1.03 0.99 0.00 0.81 1.79 -1.16 -2.99 116.57 117.04 3kk3 h LYS 82 Ca 0.23 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3kk3 h LYS 82 Cb 0.22 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3kk3 h LYS 82 CO -0.02 0.66 -1.23 0.54 -1.08 0.00 0.00 179.45 178.32 3kk3 n ARG 83 N -4.42 0.47 -1.48 3.15 1.74 -0.54 -4.91 116.66 110.66 3kk3 n ARG 83 Ca 0.09 -0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.82 3kk3 n ARG 83 Cb 0.04 -1.65 0.09 0.00 -1.02 0.00 0.00 32.46 29.92 3kk3 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kk3 s THR 84 N -3.32 2.38 1.07 0.55 2.01 0.25 0.51 115.64 119.09 3kk3 s THR 84 Ca -0.00 0.19 -0.12 0.00 0.31 0.00 0.00 61.69 62.07 3kk3 s THR 84 Cb 0.13 -2.77 0.23 0.00 0.01 0.00 0.00 72.50 70.10 3kk3 s THR 84 CO 0.82 -0.10 1.08 0.00 -0.69 0.00 0.00 174.62 175.73 3kk3 s GLN 85 N -3.89 -0.20 0.69 4.92 -2.07 -0.66 -4.15 119.66 114.30 3kk3 s GLN 85 Ca 0.74 1.16 -0.12 0.00 -1.82 0.00 0.00 55.36 55.31 3kk3 s GLN 85 Cb -0.29 -1.61 0.01 0.00 -1.09 0.00 0.00 33.01 30.03 3kk3 s GLN 85 CO 0.44 -3.34 1.08 -0.51 -1.32 0.00 0.00 175.29 171.64 3kk3 s ASP 86 N -2.53 5.17 0.21 12.60 -0.00 -1.26 -4.92 116.67 125.93 3kk3 s ASP 86 Ca 0.68 1.78 0.06 0.00 -0.00 0.00 0.00 52.55 55.08 3kk3 s ASP 86 Cb -0.24 -2.52 -0.05 0.00 -0.00 0.00 0.00 42.92 40.11 3kk3 s ASP 86 CO 0.62 -1.59 -0.10 -0.36 -0.00 0.00 0.00 175.17 173.74 3kk3 s PHE 87 N -2.76 1.63 -0.39 4.23 0.40 -1.26 -5.08 117.98 114.75 3kk3 s PHE 87 Ca 0.62 -0.68 -0.14 0.00 -0.60 0.00 0.00 56.93 56.13 3kk3 s PHE 87 Cb -0.16 -0.83 0.01 0.00 0.51 0.00 0.00 43.02 42.55 3kk3 s PHE 87 CO 0.49 0.24 0.28 -0.46 0.70 0.00 0.00 175.22 176.47 3kk3 s TRP 88 N -3.11 3.24 0.19 0.36 -0.11 -1.26 -5.06 118.94 113.18 3kk3 s TRP 88 Ca 0.23 -0.51 -0.32 0.00 1.22 0.00 0.00 56.10 56.72 3kk3 s TRP 88 Cb 0.02 -2.55 -0.11 0.00 -1.50 0.00 0.00 33.47 29.32 3kk3 s TRP 88 CO 0.06 -0.53 1.62 -1.21 -4.62 0.00 0.00 176.95 172.27 3kk3 s GLU 89 N 1.69 4.18 0.02 5.86 0.41 -1.26 -4.93 118.70 124.66 3kk3 s GLU 89 Ca 0.05 2.47 0.22 0.00 -0.41 0.00 0.00 54.97 57.30 3kk3 s GLU 89 Cb -0.19 -3.11 -0.06 0.00 -1.78 0.00 0.00 34.13 29.00 3kk3 s GLU 89 CO 0.10 -0.66 0.94 1.33 -0.49 0.00 0.00 175.26 176.49 3kk3 n VAL 90 N 3.80 0.08 -2.67 2.63 0.24 -1.26 -4.82 118.33 116.32 3kk3 n VAL 90 Ca 0.14 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.34 61.83 3kk3 n VAL 90 Cb 0.37 0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 33.15 3kk3 n VAL 90 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3kk3 s GLN 91 N -3.16 3.65 0.02 7.34 2.00 -1.26 -4.87 119.66 123.38 3kk3 s GLN 91 Ca 0.04 0.41 0.22 0.00 -2.00 0.00 0.00 55.36 54.04 3kk3 s GLN 91 Cb 0.15 -3.92 -0.19 0.00 0.80 0.00 0.00 33.01 29.86 3kk3 s GLN 91 CO 0.83 -1.34 0.75 1.28 -0.50 0.00 0.00 175.29 176.31 3kk3 n LEU 92 N 7.64 0.41 0.00 3.68 4.32 -1.26 -5.02 117.00 126.76 3kk3 n LEU 92 Ca 0.10 -0.04 0.03 0.00 -0.02 0.00 0.00 56.01 56.08 3kk3 n LEU 92 Cb 0.49 -0.03 0.01 0.00 -1.62 0.00 0.00 43.42 42.27 3kk3 n LEU 92 CO 0.69 0.02 1.00 0.61 -1.22 0.00 0.00 177.39 178.50 3kk3 n GLY 93 N 1.31 0.22 3.30 -0.72 0.00 -1.26 -5.16 105.19 102.88 3kk3 n GLY 93 Ca -0.01 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 3kk3 n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kk3 s ILE 94 N -2.02 2.67 0.24 -0.61 1.09 -1.26 -5.09 121.20 116.22 3kk3 s ILE 94 Ca 0.27 -0.79 -0.31 0.00 -1.10 0.00 0.00 60.65 58.72 3kk3 s ILE 94 Cb -0.00 -2.10 -0.13 0.00 -1.06 0.00 0.00 42.46 39.16 3kk3 s ILE 94 CO -0.01 0.53 1.47 -0.81 -0.10 0.00 0.00 174.94 176.02 3kk3 n PRO 95 N 3.65 2.16 -4.63 2.79 -0.04 -1.26 -4.98 135.00 132.70 3kk3 n PRO 95 Ca -0.19 0.77 -0.34 0.00 -0.04 0.00 0.00 63.50 63.71 3kk3 n PRO 95 Cb 0.53 -2.47 -0.11 0.00 -0.04 0.00 0.00 33.50 31.40 3kk3 n PRO 95 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3kk3 s HIS 96 N 0.12 2.93 0.58 0.54 2.46 -1.26 -5.01 115.29 115.65 3kk3 s HIS 96 Ca 0.69 -0.03 0.29 0.00 0.47 0.00 0.00 55.06 56.48 3kk3 s HIS 96 Cb -0.63 -1.73 1.44 0.00 -0.13 0.00 0.00 32.58 31.54 3kk3 s HIS 96 CO 0.47 0.28 1.86 -1.00 -2.47 0.00 0.00 174.74 173.88 3kk3 h PRO 97 N 5.41 0.00 -0.00 2.88 0.13 -1.96 -1.35 132.00 137.11 3kk3 h PRO 97 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3kk3 h PRO 97 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3kk3 h PRO 97 CO 0.53 0.00 -0.27 0.00 -0.23 0.00 0.00 178.00 178.03 3kk3 n ALA 98 N -2.39 3.01 1.11 -0.56 0.00 -1.26 -2.34 120.51 118.08 3kk3 n ALA 98 Ca 0.11 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.41 3kk3 n ALA 98 Cb 0.77 -1.27 0.25 0.00 0.00 0.00 0.00 19.45 19.20 3kk3 n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kk3 n GLY 99 N 1.46 -0.82 3.71 0.00 0.00 -0.51 -3.18 105.19 105.85 3kk3 n GLY 99 Ca 0.08 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3kk3 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kk3 s LEU 100 N -2.73 4.36 0.22 0.99 1.02 -0.99 -4.73 118.68 116.82 3kk3 s LEU 100 Ca 0.17 2.27 -0.13 0.00 0.02 0.00 0.00 54.13 56.47 3kk3 s LEU 100 Cb 0.18 -3.58 -0.08 0.00 0.02 0.00 0.00 46.19 42.74 3kk3 s LEU 100 CO 0.62 -0.67 0.60 -0.54 0.02 0.00 0.00 176.35 176.38 3kk3 s LYS 101 N 1.47 3.92 -0.10 1.70 1.02 -1.26 -0.19 119.74 126.30 3kk3 s LYS 101 Ca 0.65 0.46 -0.29 0.00 0.02 0.00 0.00 55.97 56.80 3kk3 s LYS 101 Cb -0.35 -2.70 -0.06 0.00 -0.52 0.00 0.00 37.83 34.19 3kk3 s LYS 101 CO 0.29 0.34 1.97 0.21 -0.92 0.00 0.00 175.35 177.24 3kk3 s LYS 102 N -2.54 3.75 0.32 1.68 2.20 -1.26 -4.87 119.74 119.02 3kk3 s LYS 102 Ca 0.46 2.22 0.07 0.00 -0.36 0.00 0.00 55.97 58.36 3kk3 s LYS 102 Cb -0.12 -4.20 -0.03 0.00 -1.51 0.00 0.00 37.83 31.97 3kk3 s LYS 102 CO 0.20 -1.38 0.31 0.15 -0.36 0.00 0.00 175.35 174.26 3kk3 s LYS 103 N 5.09 2.84 0.08 4.03 -0.14 -1.26 -5.03 119.74 125.34 3kk3 s LYS 103 Ca 0.88 -1.20 -0.00 0.00 -1.36 0.00 0.00 55.97 54.29 3kk3 s LYS 103 Cb -0.36 -2.55 -0.26 0.00 -1.68 0.00 0.00 37.83 32.98 3kk3 s LYS 103 CO 0.37 0.15 1.14 -0.22 -0.76 0.00 0.00 175.35 176.02 3kk3 h LYS 104 N 1.23 0.17 -4.26 1.68 3.64 -1.43 -3.45 116.57 114.14 3kk3 h LYS 104 Ca -0.46 -0.30 -0.46 0.00 -1.27 0.00 0.00 60.65 58.17 3kk3 h LYS 104 Cb 1.25 0.11 -0.34 0.00 -0.41 0.00 0.00 32.23 32.84 3kk3 h LYS 104 CO 0.58 1.12 -0.79 -1.12 -2.27 0.00 0.00 179.45 176.96 3kk3 s SER 105 N -6.96 1.37 0.02 4.20 0.01 0.48 -4.90 113.70 107.92 3kk3 s SER 105 Ca -0.03 -0.21 0.06 0.00 1.31 0.00 0.00 55.95 57.08 3kk3 s SER 105 Cb 0.08 -0.63 -0.02 0.00 0.21 0.00 0.00 66.02 65.66 3kk3 s SER 105 CO 0.86 -0.02 -0.17 -0.69 0.41 0.00 0.00 173.24 173.63 3kk3 s VAL 106 N 0.84 1.38 0.01 3.43 1.01 -1.26 -1.24 120.40 124.57 3kk3 s VAL 106 Ca -0.12 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.89 3kk3 s VAL 106 Cb -0.15 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3kk3 s VAL 106 CO 0.01 0.20 -0.04 -0.89 0.00 0.00 0.00 175.10 174.39 3kk3 s THR 107 N -0.68 0.26 -0.08 3.92 2.01 -0.38 -4.52 115.64 116.16 3kk3 s THR 107 Ca 0.05 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.71 3kk3 s THR 107 Cb -0.08 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.17 3kk3 s THR 107 CO 0.01 -0.08 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.97 3kk3 s VAL 108 N -0.46 1.72 -0.05 3.82 1.01 -1.21 -0.42 120.40 124.81 3kk3 s VAL 108 Ca -0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 3kk3 s VAL 108 Cb -0.04 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.86 3kk3 s VAL 108 CO -0.00 0.48 0.23 -1.48 0.00 0.00 0.00 175.10 174.34 3kk3 s LEU 109 N 0.38 1.13 0.11 3.92 0.05 0.65 -1.52 118.68 123.40 3kk3 s LEU 109 Ca -0.15 0.25 0.03 0.00 0.05 0.00 0.00 54.13 54.30 3kk3 s LEU 109 Cb -0.17 0.89 -0.04 0.00 -2.05 0.00 0.00 46.19 44.83 3kk3 s LEU 109 CO 0.06 -0.23 0.15 -1.81 -0.55 0.00 0.00 176.35 173.98 3kk3 s ASP 110 N -0.53 5.84 -0.26 1.48 1.11 -1.25 -0.51 116.67 122.56 3kk3 s ASP 110 Ca -0.06 0.05 -0.16 0.00 0.18 0.00 0.00 52.55 52.56 3kk3 s ASP 110 Cb -0.04 -1.65 -0.03 0.00 1.07 0.00 0.00 42.92 42.27 3kk3 s ASP 110 CO 0.01 0.13 0.42 -0.69 1.18 0.00 0.00 175.17 176.23 3kk3 s VAL 111 N -1.56 5.14 0.24 -1.27 1.01 0.16 -4.01 120.40 120.11 3kk3 s VAL 111 Ca 0.32 0.69 -0.30 0.00 0.00 0.00 0.00 61.98 62.69 3kk3 s VAL 111 Cb -0.12 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 3kk3 s VAL 111 CO 0.25 0.14 0.96 -0.83 0.00 0.00 0.00 175.10 175.61 3kk3 s GLY 112 N 1.55 3.11 -1.62 4.51 0.00 0.66 -3.69 107.32 111.83 3kk3 s GLY 112 Ca 0.17 0.64 -0.17 0.00 0.00 0.00 0.00 44.72 45.37 3kk3 s GLY 112 CO 0.09 1.24 0.78 1.22 0.00 0.00 0.00 173.10 176.43 3kk3 n ASP 113 N 1.55 -3.55 0.04 1.64 9.92 -1.26 -4.27 116.55 120.61 3kk3 n ASP 113 Ca -0.02 -0.90 -0.15 0.00 -0.53 0.00 0.00 54.79 53.20 3kk3 n ASP 113 Cb 0.47 -2.90 -0.09 0.00 -0.64 0.00 0.00 41.12 37.96 3kk3 n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kk3 h ALA 114 N 0.93 -0.83 -0.67 2.24 0.00 -1.94 -1.88 119.26 117.12 3kk3 h ALA 114 Ca -0.56 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.33 3kk3 h ALA 114 Cb 1.37 0.90 -0.04 0.00 0.00 0.00 0.00 17.79 20.02 3kk3 h ALA 114 CO 0.73 -1.05 0.44 1.88 0.00 0.00 0.00 179.25 181.25 3kk3 h TYR 115 N -0.61 0.75 -0.02 0.00 -1.99 -1.90 -0.44 116.97 112.76 3kk3 h TYR 115 Ca 0.03 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3kk3 h TYR 115 Cb 0.69 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.17 3kk3 h TYR 115 CO -0.51 0.43 0.00 1.19 -0.00 0.00 0.00 178.16 179.27 3kk3 n PHE 116 N -4.46 0.03 -0.27 4.88 3.01 -0.81 -2.14 117.46 117.69 3kk3 n PHE 116 Ca 0.09 -0.01 0.07 0.00 1.01 0.00 0.00 57.45 58.60 3kk3 n PHE 116 Cb 0.16 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 39.82 3kk3 n PHE 116 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3kk3 n SER 117 N -0.66 3.19 -4.09 4.37 7.64 -0.18 -4.87 113.62 119.03 3kk3 n SER 117 Ca 0.16 -2.08 -0.27 0.00 1.01 0.00 0.00 58.87 57.69 3kk3 n SER 117 Cb 0.11 -0.30 -0.17 0.00 -1.01 0.00 0.00 64.21 62.85 3kk3 n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kk3 s VAL 118 N -1.15 1.44 0.19 0.44 1.01 -1.11 -1.85 120.40 119.38 3kk3 s VAL 118 Ca 0.29 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 3kk3 s VAL 118 Cb 0.16 -1.28 -0.08 0.00 0.00 0.00 0.00 36.38 35.18 3kk3 s VAL 118 CO 0.18 0.42 1.06 -2.84 0.00 0.00 0.00 175.10 173.92 3kk3 s PRO 119 N 0.53 4.65 0.15 2.72 0.02 -1.26 -2.33 135.00 139.48 3kk3 s PRO 119 Ca -0.16 1.66 -0.24 0.00 0.02 0.00 0.00 61.00 62.28 3kk3 s PRO 119 Cb -0.16 -3.28 -0.08 0.00 0.02 0.00 0.00 34.50 31.00 3kk3 s PRO 119 CO 0.05 0.17 0.75 -1.17 -0.33 0.00 0.00 177.00 176.48 3kk3 s LEU 120 N -0.57 4.58 -0.05 -5.54 2.96 -0.65 -4.61 118.68 114.80 3kk3 s LEU 120 Ca 0.47 1.59 -0.38 0.00 -0.22 0.00 0.00 54.13 55.59 3kk3 s LEU 120 Cb -0.28 -3.24 -0.16 0.00 0.50 0.00 0.00 46.19 43.01 3kk3 s LEU 120 CO 0.35 0.21 1.54 -0.67 -1.32 0.00 0.00 176.35 176.45 3kk3 n ASP 121 N 1.66 2.12 -0.01 3.68 4.64 -1.26 -4.85 116.55 122.53 3kk3 n ASP 121 Ca -0.06 1.09 -0.01 0.00 -1.38 0.00 0.00 54.79 54.43 3kk3 n ASP 121 Cb 0.49 -1.20 0.26 0.00 -1.04 0.00 0.00 41.12 39.63 3kk3 n ASP 121 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 3kk3 h GLU 122 N 5.89 0.56 0.00 -0.67 5.08 -1.95 -1.99 114.58 121.50 3kk3 h GLU 122 Ca -0.47 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 3kk3 h GLU 122 Cb 1.32 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3kk3 h GLU 122 CO 0.86 0.61 0.00 -0.25 -1.00 0.00 0.00 179.01 179.23 3kk3 n ASP 123 N -4.25 0.76 0.04 1.42 9.92 -1.26 -1.76 116.55 121.42 3kk3 n ASP 123 Ca 0.01 0.62 0.11 0.00 -0.53 0.00 0.00 54.79 55.01 3kk3 n ASP 123 Cb 0.27 -0.81 -0.07 0.00 -0.64 0.00 0.00 41.12 39.87 3kk3 n ASP 123 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3kk3 n PHE 124 N -2.27 0.42 -0.29 1.24 7.35 -0.81 -4.57 117.46 118.52 3kk3 n PHE 124 Ca 0.04 0.12 0.25 0.00 -0.76 0.00 0.00 57.45 57.10 3kk3 n PHE 124 Cb 0.34 -0.65 0.58 0.00 0.35 0.00 0.00 39.48 40.10 3kk3 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kk3 h ARG 125 N 0.00 0.27 0.00 -4.13 3.08 -0.67 -2.08 114.38 110.85 3kk3 h ARG 125 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kk3 h ARG 125 Cb 0.94 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3kk3 h ARG 125 CO 0.00 0.18 0.00 1.57 -1.07 0.00 0.00 179.97 180.65 3kk3 h LYS 126 N 0.28 0.00 -0.00 0.04 2.10 -1.81 -2.61 116.57 114.57 3kk3 h LYS 126 Ca 0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 3kk3 h LYS 126 Cb 1.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.93 3kk3 h LYS 126 CO -0.19 0.00 -0.01 0.66 -2.00 0.00 0.00 179.45 177.91 3kk3 n TYR 127 N -2.53 0.00 0.75 0.07 4.01 -0.78 -2.94 117.16 115.73 3kk3 n TYR 127 Ca 0.03 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.85 3kk3 n TYR 127 Cb 0.33 -0.41 0.25 0.00 -0.31 0.00 0.00 39.34 39.20 3kk3 n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3kk3 n THR 128 N -1.41 0.47 -1.66 -0.72 -2.24 -0.98 -4.61 114.28 103.13 3kk3 n THR 128 Ca 0.10 -0.54 -0.48 0.00 -2.27 0.00 0.00 64.05 60.86 3kk3 n THR 128 Cb 0.30 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 3kk3 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kk3 n ALA 129 N 0.74 0.77 -2.41 6.98 0.00 -1.15 -4.41 120.51 121.03 3kk3 n ALA 129 Ca 0.16 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.89 3kk3 n ALA 129 Cb 0.39 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.41 3kk3 n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3kk3 s PHE 130 N 1.50 1.01 -0.06 0.00 -0.12 -0.11 -0.94 117.98 119.25 3kk3 s PHE 130 Ca 0.83 -0.72 0.05 0.00 -0.05 0.00 0.00 56.93 57.04 3kk3 s PHE 130 Cb -0.75 -0.56 -0.00 0.00 -0.63 0.00 0.00 43.02 41.08 3kk3 s PHE 130 CO 0.43 -0.03 -0.21 0.99 -0.05 0.00 0.00 175.22 176.35 3kk3 s THR 131 N -2.74 1.77 -0.17 -4.49 2.01 -1.26 -1.55 115.64 109.21 3kk3 s THR 131 Ca 0.07 -0.89 -0.22 0.00 0.31 0.00 0.00 61.69 60.96 3kk3 s THR 131 Cb -0.01 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 3kk3 s THR 131 CO -0.01 0.50 0.68 -0.51 -0.69 0.00 0.00 174.62 174.58 3kk3 s ILE 132 N 0.10 5.00 -0.05 1.82 2.07 -0.71 -4.66 121.20 124.77 3kk3 s ILE 132 Ca -0.08 1.31 -0.30 0.00 -1.41 0.00 0.00 60.65 60.16 3kk3 s ILE 132 Cb -0.14 -3.99 -0.04 0.00 0.13 0.00 0.00 42.46 38.42 3kk3 s ILE 132 CO 0.04 0.12 1.21 -2.16 -1.91 0.00 0.00 174.94 172.25 3kk3 s PRO 133 N 1.74 4.35 0.78 3.50 0.04 -1.26 -2.93 135.00 141.23 3kk3 s PRO 133 Ca 0.32 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.91 3kk3 s PRO 133 Cb -0.16 -3.55 0.07 0.00 0.04 0.00 0.00 34.50 30.90 3kk3 s PRO 133 CO 0.12 -0.44 1.22 -1.54 0.04 0.00 0.00 177.00 176.40 3kk3 s SER 134 N 1.47 3.75 0.00 6.66 1.04 -1.26 -4.74 113.70 120.63 3kk3 s SER 134 Ca 0.56 2.40 0.00 0.00 0.48 0.00 0.00 55.95 59.39 3kk3 s SER 134 Cb -0.25 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.28 3kk3 s SER 134 CO 0.23 -2.56 0.69 0.00 0.98 0.00 0.00 173.24 172.58 3kk3 n ILE 135 N -3.09 0.96 -0.83 -1.02 0.00 -1.26 -4.63 119.36 109.49 3kk3 n ILE 135 Ca 0.14 0.33 0.00 0.00 0.00 0.00 0.00 62.75 63.22 3kk3 n ILE 135 Cb 0.50 -1.33 0.00 0.00 0.00 0.00 0.00 39.64 38.81 3kk3 n ILE 135 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3kk3 n ASN 136 N -1.19 1.18 0.21 9.51 2.04 -1.26 -4.88 115.26 120.86 3kk3 n ASN 136 Ca 0.00 0.00 0.07 0.00 -0.44 0.00 0.00 54.58 54.21 3kk3 n ASN 136 Cb 0.09 0.00 0.48 0.00 -2.53 0.00 0.00 39.78 37.82 3kk3 n ASN 136 CO 0.00 0.00 0.00 -1.13 -0.44 0.00 0.00 177.26 175.69 3kk3 h ASN 137 N 0.00 0.00 0.00 0.53 -1.24 -2.01 -3.40 115.58 109.46 3kk3 h ASN 137 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3kk3 h ASN 137 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 3kk3 h ASN 137 CO 0.00 0.28 0.00 1.21 -1.29 0.00 0.00 177.43 177.63 3kk3 n GLU 138 N -3.81 0.00 -4.02 6.67 2.13 -1.26 -4.58 120.64 115.76 3kk3 n GLU 138 Ca -0.01 0.94 -0.35 0.00 0.66 0.00 0.00 57.16 58.39 3kk3 n GLU 138 Cb 0.37 -1.44 -0.07 0.00 0.27 0.00 0.00 31.44 30.57 3kk3 n GLU 138 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3kk3 s THR 139 N -2.75 5.12 -0.07 6.31 2.01 -1.26 -5.04 115.64 119.96 3kk3 s THR 139 Ca 0.00 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.67 3kk3 s THR 139 Cb 0.00 -3.26 -0.07 0.00 0.01 0.00 0.00 72.50 69.18 3kk3 s THR 139 CO 0.00 0.53 2.01 -2.84 -0.69 0.00 0.00 174.62 173.63 3kk3 s PRO 140 N -1.25 3.78 1.37 4.92 0.02 -1.26 -4.31 135.00 138.27 3kk3 s PRO 140 Ca 0.18 2.34 -0.21 0.00 0.02 0.00 0.00 61.00 63.33 3kk3 s PRO 140 Cb -0.12 -4.22 0.35 0.00 0.02 0.00 0.00 34.50 30.53 3kk3 s PRO 140 CO 0.07 -1.36 0.95 0.20 -0.33 0.00 0.00 177.00 176.54 3kk3 s GLY 141 N 5.66 1.44 0.07 0.52 0.00 -1.26 -4.89 107.32 108.86 3kk3 s GLY 141 Ca 0.91 -0.68 -0.30 0.00 0.00 0.00 0.00 44.72 44.65 3kk3 s GLY 141 CO 0.38 0.27 1.10 -0.42 0.00 0.00 0.00 173.10 174.43 3kk3 s ILE 142 N -2.32 4.30 0.03 0.90 1.01 -1.15 -4.83 121.20 119.13 3kk3 s ILE 142 Ca 0.69 1.71 -0.18 0.00 0.00 0.00 0.00 60.65 62.88 3kk3 s ILE 142 Cb -0.16 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.16 3kk3 s ILE 142 CO 0.59 0.17 0.50 -0.13 0.00 0.00 0.00 174.94 176.07 3kk3 s ARG 143 N 0.73 4.11 -0.01 2.79 1.81 -1.26 -1.74 118.95 125.38 3kk3 s ARG 143 Ca 0.54 0.59 -0.03 0.00 -1.72 0.00 0.00 55.73 55.11 3kk3 s ARG 143 Cb -0.26 -3.25 -0.00 0.00 -0.45 0.00 0.00 34.95 30.98 3kk3 s ARG 143 CO 0.30 0.61 0.06 0.71 -0.68 0.00 0.00 175.30 176.29 3kk3 s TYR 144 N -0.92 0.05 0.36 -0.53 2.02 -0.59 -2.48 117.35 115.26 3kk3 s TYR 144 Ca 0.27 -0.09 0.09 0.00 -0.37 0.00 0.00 57.07 56.97 3kk3 s TYR 144 Cb -0.18 -0.05 -0.06 0.00 -0.40 0.00 0.00 41.96 41.27 3kk3 s TYR 144 CO 0.16 -0.14 -0.03 1.14 -1.57 0.00 0.00 175.55 175.12 3kk3 s GLN 145 N -0.71 1.95 -0.11 -0.62 -2.07 0.55 -0.93 119.66 117.73 3kk3 s GLN 145 Ca -0.08 -1.89 -0.10 0.00 -1.82 0.00 0.00 55.36 51.48 3kk3 s GLN 145 Cb -0.05 -1.79 -0.05 0.00 -1.09 0.00 0.00 33.01 30.03 3kk3 s GLN 145 CO 0.00 0.10 0.21 0.71 -1.32 0.00 0.00 175.29 174.99 3kk3 s TYR 146 N -2.59 3.60 -0.04 9.60 2.02 -1.26 -0.98 117.35 127.70 3kk3 s TYR 146 Ca 0.34 0.61 0.15 0.00 -0.37 0.00 0.00 57.07 57.81 3kk3 s TYR 146 Cb 0.03 -2.07 -0.23 0.00 -0.40 0.00 0.00 41.96 39.28 3kk3 s TYR 146 CO 0.18 0.63 0.31 0.09 -1.57 0.00 0.00 175.55 175.19 3kk3 n ASN 147 N 2.24 1.43 -0.71 2.29 3.02 0.12 -4.76 115.26 118.89 3kk3 n ASN 147 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3kk3 n ASN 147 Cb 0.54 1.60 0.00 0.00 -0.61 0.00 0.00 39.78 41.31 3kk3 n ASN 147 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3kk3 n VAL 148 N -2.10 0.00 -2.71 2.41 0.24 -1.20 -1.64 118.33 113.33 3kk3 n VAL 148 Ca -0.05 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.82 3kk3 n VAL 148 Cb 0.48 -0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.53 3kk3 n VAL 148 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3kk3 s LEU 149 N 0.00 4.00 0.45 1.34 1.43 -0.91 -4.16 118.68 120.82 3kk3 s LEU 149 Ca 0.00 1.04 -0.22 0.00 -1.03 0.00 0.00 54.13 53.92 3kk3 s LEU 149 Cb 0.00 -3.44 -0.08 0.00 0.03 0.00 0.00 46.19 42.69 3kk3 s LEU 149 CO 0.00 -0.78 1.07 -2.84 0.23 0.00 0.00 176.35 174.03 3kk3 s PRO 150 N 3.41 3.94 0.27 1.29 0.02 -1.26 -4.27 135.00 138.40 3kk3 s PRO 150 Ca 0.42 1.50 -0.29 0.00 0.02 0.00 0.00 61.00 62.65 3kk3 s PRO 150 Cb -0.13 -2.34 -0.10 0.00 0.02 0.00 0.00 34.50 31.95 3kk3 s PRO 150 CO 0.13 -0.34 1.29 -1.14 -0.33 0.00 0.00 177.00 176.61 3kk3 s GLN 151 N -2.82 4.40 0.00 5.54 2.00 -1.26 -3.72 119.66 123.80 3kk3 s GLN 151 Ca 0.63 2.11 0.00 0.00 -2.00 0.00 0.00 55.36 56.09 3kk3 s GLN 151 Cb -0.21 -3.14 0.00 0.00 0.80 0.00 0.00 33.01 30.46 3kk3 s GLN 151 CO 0.26 -0.18 0.00 0.41 -0.50 0.00 0.00 175.29 175.28 3kk3 n GLY 152 N 1.58 0.66 3.58 2.59 0.00 -1.26 -4.46 105.19 107.87 3kk3 n GLY 152 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3kk3 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kk3 s TRP 153 N -2.21 3.23 0.00 1.61 -0.00 -1.24 -4.17 118.94 116.16 3kk3 s TRP 153 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 56.10 56.27 3kk3 s TRP 153 Cb 0.00 -2.51 0.00 0.00 -0.00 0.00 0.00 33.47 30.96 3kk3 s TRP 153 CO 0.00 -0.25 0.00 1.17 -0.00 0.00 0.00 176.95 177.87 3kk3 n LYS 154 N 5.23 0.00 0.05 5.86 4.81 -1.26 -0.47 118.16 132.38 3kk3 n LYS 154 Ca -0.11 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.41 3kk3 n LYS 154 Cb 0.51 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.49 3kk3 n LYS 154 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kk3 n GLY 155 N -0.80 -1.27 0.31 3.14 0.00 -1.26 -4.52 105.19 100.78 3kk3 n GLY 155 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 3kk3 n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3kk3 h SER 156 N 0.00 0.96 0.09 1.61 0.02 -1.06 -2.44 113.55 112.72 3kk3 h SER 156 Ca -0.06 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3kk3 h SER 156 Cb 1.19 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 3kk3 h SER 156 CO 0.01 0.82 -0.07 -0.65 -1.14 0.00 0.00 176.83 175.80 3kk3 h PRO 157 N 1.03 -0.15 -0.94 3.45 0.11 -1.79 -1.95 132.00 131.76 3kk3 h PRO 157 Ca 0.25 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.47 3kk3 h PRO 157 Cb 0.11 0.03 -0.12 0.00 0.11 0.00 0.00 31.00 31.13 3kk3 h PRO 157 CO -0.03 -0.10 -0.55 0.00 -0.21 0.00 0.00 178.00 177.11 3kk3 h ALA 158 N -1.68 -0.45 -0.08 -0.75 0.00 -1.84 0.25 119.26 114.71 3kk3 h ALA 158 Ca -0.01 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kk3 h ALA 158 Cb 0.13 1.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3kk3 h ALA 158 CO -0.00 -0.92 0.08 0.82 0.00 0.00 0.00 179.25 179.24 3kk3 h ILE 159 N -0.04 0.59 0.22 0.00 2.04 -1.44 0.17 117.51 119.05 3kk3 h ILE 159 Ca 0.18 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.73 3kk3 h ILE 159 Cb 0.46 0.93 0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3kk3 h ILE 159 CO -0.91 0.00 -1.37 0.15 0.00 0.00 0.00 178.15 176.02 3kk3 h PHE 160 N 0.00 0.96 -0.63 1.37 3.57 0.25 -2.06 116.94 120.40 3kk3 h PHE 160 Ca 0.04 -0.68 -0.00 0.00 3.53 0.00 0.00 57.97 60.86 3kk3 h PHE 160 Cb 0.21 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3kk3 h PHE 160 CO 0.00 1.53 0.38 1.96 -2.23 0.00 0.00 178.31 179.95 3kk3 h GLN 161 N 0.12 0.86 0.01 1.11 4.20 0.06 0.27 115.11 121.74 3kk3 h GLN 161 Ca -0.23 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.40 3kk3 h GLN 161 Cb 2.07 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.66 3kk3 h GLN 161 CO 0.26 0.62 -0.05 1.03 -0.67 0.00 0.00 178.83 180.02 3kk3 h SER 162 N 0.86 -0.15 -0.76 1.46 0.87 -0.80 -0.84 113.55 114.19 3kk3 h SER 162 Ca 0.23 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 3kk3 h SER 162 Cb -0.02 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 3kk3 h SER 162 CO -0.04 -0.08 0.29 0.28 -0.53 0.00 0.00 176.83 176.75 3kk3 h SER 163 N -0.10 1.06 0.01 6.23 0.02 -1.11 -1.45 113.55 118.21 3kk3 h SER 163 Ca 0.02 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 3kk3 h SER 163 Cb 0.12 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 3kk3 h SER 163 CO -0.05 0.96 -0.12 -0.03 -1.14 0.00 0.00 176.83 176.45 3kk3 h MET 164 N 1.11 -0.21 -0.26 3.45 -1.53 -0.09 0.39 114.93 117.79 3kk3 h MET 164 Ca 0.25 0.01 0.06 0.00 -3.44 0.00 0.00 59.70 56.59 3kk3 h MET 164 Cb 0.24 0.05 -0.07 0.00 -0.55 0.00 0.00 31.60 31.26 3kk3 h MET 164 CO -0.02 -0.14 -0.22 1.15 0.14 0.00 0.00 176.91 177.83 3kk3 h THR 165 N -0.21 0.42 0.00 -0.77 2.02 -0.87 -0.77 112.91 112.74 3kk3 h THR 165 Ca 0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 3kk3 h THR 165 Cb 0.27 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3kk3 h THR 165 CO -0.12 0.00 -0.15 0.50 0.37 0.00 0.00 175.52 176.12 3kk3 h LYS 166 N -0.21 0.00 0.07 6.66 3.64 -0.66 -0.89 116.57 125.17 3kk3 h LYS 166 Ca 0.14 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.27 3kk3 h LYS 166 Cb 0.43 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3kk3 h LYS 166 CO -0.39 0.15 -1.09 0.82 -2.27 0.00 0.00 179.45 176.67 3kk3 h ILE 167 N 0.00 1.43 0.00 2.00 2.04 -0.30 -3.33 117.51 119.36 3kk3 h ILE 167 Ca -0.00 -2.70 -0.00 0.00 1.00 0.00 0.00 64.86 63.15 3kk3 h ILE 167 Cb 0.32 2.66 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 3kk3 h ILE 167 CO 0.02 0.80 -0.01 -0.07 0.00 0.00 0.00 178.15 178.88 3kk3 h LEU 168 N 0.16 0.00 0.28 1.44 -0.00 -0.31 -3.36 115.31 113.52 3kk3 h LEU 168 Ca -0.11 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.77 3kk3 h LEU 168 Cb 1.77 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.39 3kk3 h LEU 168 CO 0.19 0.01 -0.41 -0.08 -0.00 0.00 0.00 178.44 178.15 3kk3 h GLU 169 N 0.00 -0.72 -0.94 1.13 4.81 -1.31 0.85 114.58 118.40 3kk3 h GLU 169 Ca -0.00 0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.44 3kk3 h GLU 169 Cb 0.99 0.16 -0.16 0.00 0.63 0.00 0.00 28.75 30.37 3kk3 h GLU 169 CO 0.00 -0.48 -0.33 -1.35 -0.73 0.00 0.00 179.01 176.12 3kk3 h PRO 170 N -0.75 -0.02 -0.77 0.92 0.11 -1.80 0.29 132.00 129.99 3kk3 h PRO 170 Ca -0.01 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 3kk3 h PRO 170 Cb 0.71 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 3kk3 h PRO 170 CO -0.15 -0.01 0.34 0.35 -0.21 0.00 0.00 178.00 178.32 3kk3 h PHE 171 N -0.02 1.14 -0.41 0.65 3.57 -1.59 -2.64 116.94 117.64 3kk3 h PHE 171 Ca 0.38 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 3kk3 h PHE 171 Cb 0.63 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3kk3 h PHE 171 CO -0.80 0.85 0.14 0.00 -2.23 0.00 0.00 178.31 176.27 3kk3 h ARG 172 N 1.10 0.63 -0.42 1.11 3.08 0.18 -0.17 114.38 119.89 3kk3 h ARG 172 Ca 0.26 -0.13 0.09 0.00 0.07 0.00 0.00 59.98 60.27 3kk3 h ARG 172 Cb 0.17 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.03 3kk3 h ARG 172 CO -0.03 0.61 -0.25 0.87 -1.07 0.00 0.00 179.97 180.11 3kk3 h LYS 173 N 0.52 -0.17 0.00 0.04 1.79 -0.46 -2.61 116.57 115.68 3kk3 h LYS 173 Ca 0.13 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3kk3 h LYS 173 Cb 0.24 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 3kk3 h LYS 173 CO -0.01 -0.11 0.00 1.96 -1.08 0.00 0.00 179.45 180.21 3kk3 h GLN 174 N -0.17 0.00 -1.75 3.15 4.20 -1.06 -3.29 115.11 116.17 3kk3 h GLN 174 Ca 0.20 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.40 3kk3 h GLN 174 Cb 0.48 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.85 3kk3 h GLN 174 CO -0.52 0.00 -0.94 0.09 -0.67 0.00 0.00 178.83 176.79 3kk3 n ASN 175 N -2.56 2.86 0.16 1.46 3.02 -0.13 -4.92 115.26 115.15 3kk3 n ASN 175 Ca 0.04 -3.29 0.08 0.00 -0.03 0.00 0.00 54.58 51.37 3kk3 n ASN 175 Cb 0.38 -0.55 0.43 0.00 -0.61 0.00 0.00 39.78 39.43 3kk3 n ASN 175 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3kk3 n PRO 176 N -0.11 0.10 0.00 3.52 -0.04 -1.10 0.02 135.00 137.39 3kk3 n PRO 176 Ca 0.26 0.59 0.06 0.00 -0.04 0.00 0.00 63.50 64.37 3kk3 n PRO 176 Cb 0.62 -2.02 0.03 0.00 -0.04 0.00 0.00 33.50 32.09 3kk3 n PRO 176 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kk3 n ASP 177 N -2.10 1.75 -4.67 3.54 10.43 -1.26 -4.80 116.55 119.45 3kk3 n ASP 177 Ca -0.01 -1.38 -0.42 0.00 2.57 0.00 0.00 54.79 55.55 3kk3 n ASP 177 Cb 0.20 0.16 -0.03 0.00 1.84 0.00 0.00 41.12 43.29 3kk3 n ASP 177 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3kk3 s ILE 178 N -1.16 4.82 -0.21 0.53 -1.09 0.10 -4.68 121.20 119.52 3kk3 s ILE 178 Ca 0.12 1.79 -0.13 0.00 -2.23 0.00 0.00 60.65 60.21 3kk3 s ILE 178 Cb 0.10 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.72 3kk3 s ILE 178 CO 0.20 -0.02 0.25 0.54 -1.23 0.00 0.00 174.94 174.67 3kk3 s VAL 179 N 2.35 5.31 -0.21 2.92 0.11 -0.70 -4.96 120.40 125.22 3kk3 s VAL 179 Ca 0.41 0.40 0.02 0.00 -2.93 0.00 0.00 61.98 59.88 3kk3 s VAL 179 Cb -0.17 -3.59 0.04 0.00 -1.53 0.00 0.00 36.38 31.14 3kk3 s VAL 179 CO 0.12 0.34 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.46 3kk3 s ILE 180 N 0.93 2.00 -0.08 7.04 1.01 -1.26 -0.91 121.20 129.92 3kk3 s ILE 180 Ca 0.13 -1.21 -0.21 0.00 0.00 0.00 0.00 60.65 59.35 3kk3 s ILE 180 Cb -0.13 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3kk3 s ILE 180 CO 0.04 0.24 0.61 -0.31 0.00 0.00 0.00 174.94 175.52 3kk3 s TYR 181 N 1.25 3.56 -0.39 3.97 1.51 0.15 -4.96 117.35 122.44 3kk3 s TYR 181 Ca -0.02 1.11 0.02 0.00 -1.01 0.00 0.00 57.07 57.17 3kk3 s TYR 181 Cb -0.16 -2.69 0.11 0.00 -0.11 0.00 0.00 41.96 39.11 3kk3 s TYR 181 CO -0.09 0.14 0.15 -1.14 -1.11 0.00 0.00 175.55 173.50 3kk3 s GLN 182 N 0.64 1.29 -0.27 -0.62 0.74 -1.26 -1.62 119.66 118.56 3kk3 s GLN 182 Ca 0.33 -1.81 -0.02 0.00 0.05 0.00 0.00 55.36 53.90 3kk3 s GLN 182 Cb -0.17 -2.64 0.04 0.00 1.10 0.00 0.00 33.01 31.34 3kk3 s GLN 182 CO 0.15 -1.04 -0.04 -0.47 -0.55 0.00 0.00 175.29 173.34 3kk3 s TYR 183 N 0.75 3.15 0.00 1.67 5.04 -0.59 -4.97 117.35 122.40 3kk3 s TYR 183 Ca 0.14 -1.69 0.00 0.00 -2.44 0.00 0.00 57.07 53.07 3kk3 s TYR 183 Cb -0.21 -2.08 0.00 0.00 0.35 0.00 0.00 41.96 40.02 3kk3 s TYR 183 CO -0.09 -0.76 0.00 -0.12 -1.34 0.00 0.00 175.55 173.24 3kk3 n MET 184 N 4.65 0.00 -0.21 4.97 1.56 -1.26 0.82 117.12 127.65 3kk3 n MET 184 Ca -0.15 0.00 0.07 0.00 -0.27 0.00 0.00 57.70 57.35 3kk3 n MET 184 Cb 0.45 0.00 0.20 0.00 2.15 0.00 0.00 33.22 36.02 3kk3 n MET 184 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 3kk3 n ASP 185 N 3.39 2.24 -4.79 6.12 5.68 -1.26 -4.90 116.55 123.02 3kk3 n ASP 185 Ca 0.00 -1.98 -0.39 0.00 -0.50 0.00 0.00 54.79 51.92 3kk3 n ASP 185 Cb 0.00 -0.27 -0.06 0.00 -1.14 0.00 0.00 41.12 39.65 3kk3 n ASP 185 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3kk3 s ASP 186 N -1.04 7.02 -0.11 -1.12 3.68 0.24 0.40 116.67 125.75 3kk3 s ASP 186 Ca 0.29 1.21 -0.00 0.00 2.13 0.00 0.00 52.55 56.18 3kk3 s ASP 186 Cb 0.15 -2.36 0.02 0.00 -1.45 0.00 0.00 42.92 39.28 3kk3 s ASP 186 CO 0.20 0.20 -0.07 -0.76 0.13 0.00 0.00 175.17 174.87 3kk3 s LEU 187 N -0.71 1.15 -0.16 -1.34 1.43 0.34 -1.54 118.68 117.85 3kk3 s LEU 187 Ca 0.30 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 3kk3 s LEU 187 Cb -0.19 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 3kk3 s LEU 187 CO 0.18 -0.12 0.11 -0.47 0.23 0.00 0.00 176.35 176.28 3kk3 s TYR 188 N 1.67 3.42 -0.06 0.29 6.14 -0.64 -0.25 117.35 127.91 3kk3 s TYR 188 Ca 0.04 0.33 0.00 0.00 0.64 0.00 0.00 57.07 58.08 3kk3 s TYR 188 Cb -0.13 -2.04 0.02 0.00 0.42 0.00 0.00 41.96 40.24 3kk3 s TYR 188 CO -0.07 0.42 -0.05 0.08 0.64 0.00 0.00 175.55 176.58 3kk3 s VAL 189 N -0.20 0.62 0.02 3.14 1.01 0.44 0.30 120.40 125.73 3kk3 s VAL 189 Ca 0.10 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3kk3 s VAL 189 Cb -0.12 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 3kk3 s VAL 189 CO 0.01 0.26 -0.07 -0.83 0.00 0.00 0.00 175.10 174.47 3kk3 s GLY 190 N 1.22 0.41 0.13 4.51 0.00 -0.09 -1.25 107.32 112.25 3kk3 s GLY 190 Ca -0.06 -0.48 -0.11 0.00 0.00 0.00 0.00 44.72 44.06 3kk3 s GLY 190 CO -0.02 -0.48 0.30 -1.35 0.00 0.00 0.00 173.10 171.55 3kk3 s SER 191 N -0.74 -0.03 -0.81 1.64 1.04 -0.37 -1.71 113.70 112.72 3kk3 s SER 191 Ca -0.02 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 3kk3 s SER 191 Cb -0.06 0.42 0.26 0.00 0.10 0.00 0.00 66.02 66.75 3kk3 s SER 191 CO 0.00 -0.83 2.20 0.47 0.98 0.00 0.00 173.24 176.06 3kk3 n ASP 192 N -0.17 7.29 -4.51 7.02 10.43 -1.26 -0.39 116.55 134.96 3kk3 n ASP 192 Ca -0.13 -3.63 -0.25 0.00 2.57 0.00 0.00 54.79 53.35 3kk3 n ASP 192 Cb 0.63 -1.14 -0.10 0.00 1.84 0.00 0.00 41.12 42.35 3kk3 n ASP 192 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3kk3 s LEU 193 N -3.56 2.67 0.29 0.64 1.43 -1.26 -4.88 118.68 114.02 3kk3 s LEU 193 Ca 0.52 -1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.19 3kk3 s LEU 193 Cb 0.38 -1.00 -0.09 0.00 0.03 0.00 0.00 46.19 45.50 3kk3 s LEU 193 CO -0.32 -0.14 1.08 -1.61 0.23 0.00 0.00 176.35 175.59 3kk3 s GLU 194 N -3.59 4.61 0.21 1.70 8.01 -1.26 -4.02 118.70 124.36 3kk3 s GLU 194 Ca 0.31 1.74 -0.14 0.00 0.01 0.00 0.00 54.97 56.89 3kk3 s GLU 194 Cb 0.00 -3.12 0.23 0.00 -4.31 0.00 0.00 34.13 26.93 3kk3 s GLU 194 CO 0.16 0.21 1.63 -0.84 0.01 0.00 0.00 175.26 176.42 3kk3 h ILE 195 N 3.00 0.37 -0.91 -1.63 -2.65 -1.97 -0.15 117.51 113.57 3kk3 h ILE 195 Ca -0.47 -0.00 0.08 0.00 1.03 0.00 0.00 64.86 65.50 3kk3 h ILE 195 Cb 1.21 0.37 -0.11 0.00 -2.05 0.00 0.00 36.82 36.24 3kk3 h ILE 195 CO 0.66 0.00 -0.54 0.61 0.03 0.00 0.00 178.15 178.92 3kk3 n GLY 196 N -1.43 -2.54 0.16 0.16 0.00 -1.26 0.19 105.19 100.46 3kk3 n GLY 196 Ca 0.07 1.11 -0.11 0.00 0.00 0.00 0.00 46.02 47.10 3kk3 n GLY 196 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kk3 h GLN 197 N 0.00 0.38 -0.11 1.61 4.15 -1.64 -2.24 115.11 117.26 3kk3 h GLN 197 Ca 0.15 -0.37 0.05 0.00 0.77 0.00 0.00 58.65 59.24 3kk3 h GLN 197 Cb 0.37 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.10 3kk3 h GLN 197 CO -0.85 1.03 -0.31 1.25 -1.93 0.00 0.00 178.83 178.02 3kk3 h HIS 198 N 0.23 -0.85 -0.94 3.99 2.76 0.08 -1.56 115.15 118.85 3kk3 h HIS 198 Ca -0.06 0.04 0.14 0.00 -2.20 0.00 0.00 60.37 58.29 3kk3 h HIS 198 Cb 1.47 0.39 -0.08 0.00 1.55 0.00 0.00 27.41 30.74 3kk3 h HIS 198 CO 0.05 -0.39 0.60 0.00 -1.30 0.00 0.00 177.93 176.89 3kk3 h ARG 199 N -0.40 0.78 -0.03 5.26 3.08 0.22 -0.92 114.38 122.39 3kk3 h ARG 199 Ca 0.09 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kk3 h ARG 199 Cb 0.54 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3kk3 h ARG 199 CO -0.33 0.52 0.02 1.15 -1.07 0.00 0.00 179.97 180.25 3kk3 h THR 200 N 0.81 1.09 -0.84 2.04 2.02 -0.79 -2.06 112.91 115.18 3kk3 h THR 200 Ca 0.47 -0.25 0.17 0.00 0.77 0.00 0.00 66.41 67.57 3kk3 h THR 200 Cb 0.64 1.20 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 3kk3 h THR 200 CO -0.24 0.07 0.55 0.50 0.37 0.00 0.00 175.52 176.78 3kk3 h LYS 201 N -0.05 0.45 0.15 6.66 1.63 -0.22 -0.33 116.57 124.86 3kk3 h LYS 201 Ca 0.01 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3kk3 h LYS 201 Cb 0.10 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3kk3 h LYS 201 CO -0.00 0.30 -0.07 0.82 -3.45 0.00 0.00 179.45 177.05 3kk3 h ILE 202 N 0.47 1.00 -0.04 2.00 1.08 -0.84 -0.93 117.51 120.25 3kk3 h ILE 202 Ca 0.42 -0.81 0.01 0.00 -0.39 0.00 0.00 64.86 64.09 3kk3 h ILE 202 Cb 0.94 1.48 -0.00 0.00 -3.07 0.00 0.00 36.82 36.17 3kk3 h ILE 202 CO -0.16 0.19 0.04 -0.33 -0.69 0.00 0.00 178.15 177.20 3kk3 h GLU 203 N -0.60 0.00 0.00 2.37 4.39 -0.65 0.65 114.58 120.73 3kk3 h GLU 203 Ca -0.02 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 3kk3 h GLU 203 Cb 0.46 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 3kk3 h GLU 203 CO 0.03 0.00 -0.61 1.49 -1.16 0.00 0.00 179.01 178.76 3kk3 h GLU 204 N 0.00 0.00 -0.09 2.33 4.81 -0.75 0.20 114.58 121.08 3kk3 h GLU 204 Ca 0.02 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.02 3kk3 h GLU 204 Cb 0.10 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.50 3kk3 h GLU 204 CO -0.00 0.61 -0.85 1.25 -0.73 0.00 0.00 179.01 179.29 3kk3 h LEU 205 N 0.00 0.91 -0.77 1.64 6.46 0.16 -2.76 115.31 120.95 3kk3 h LEU 205 Ca -0.01 -0.67 -0.06 0.00 -0.12 0.00 0.00 57.88 57.02 3kk3 h LEU 205 Cb 1.12 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 3kk3 h LEU 205 CO 0.08 1.45 -0.30 0.03 -0.62 0.00 0.00 178.44 179.07 3kk3 h ARG 206 N 0.44 0.00 0.00 1.25 3.08 -0.43 0.13 114.38 118.86 3kk3 h ARG 206 Ca -0.08 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.76 3kk3 h ARG 206 Cb 1.50 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.56 3kk3 h ARG 206 CO 0.17 0.30 -0.84 1.96 -1.07 0.00 0.00 179.97 180.50 3kk3 h GLN 207 N 0.00 0.56 -0.65 0.04 4.20 -1.02 0.21 115.11 118.45 3kk3 h GLN 207 Ca -0.00 -0.61 0.03 0.00 0.06 0.00 0.00 58.65 58.13 3kk3 h GLN 207 Cb 0.93 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.84 3kk3 h GLN 207 CO 0.04 1.22 0.39 1.25 -0.67 0.00 0.00 178.83 181.06 3kk3 h HIS 208 N 0.16 0.73 -0.62 2.96 2.76 -1.17 0.88 115.15 120.84 3kk3 h HIS 208 Ca -0.10 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.03 3kk3 h HIS 208 Cb 1.52 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 30.22 3kk3 h HIS 208 CO 0.12 0.40 0.15 -0.07 -1.30 0.00 0.00 177.93 177.24 3kk3 h LEU 209 N 0.76 0.94 -0.42 0.26 4.07 -0.70 -2.82 115.31 117.39 3kk3 h LEU 209 Ca 0.27 -0.23 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 3kk3 h LEU 209 Cb 0.05 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.53 3kk3 h LEU 209 CO -0.12 0.93 0.01 0.25 -1.08 0.00 0.00 178.44 178.43 3kk3 h LEU 210 N 0.91 0.72 -0.68 1.67 5.85 -0.12 0.69 115.31 124.35 3kk3 h LEU 210 Ca 0.20 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3kk3 h LEU 210 Cb 0.35 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3kk3 h LEU 210 CO 0.00 0.85 0.01 0.54 -0.34 0.00 0.00 178.44 179.50 3kk3 n ARG 211 N -4.42 0.07 -0.25 1.25 1.74 0.23 -0.95 116.66 114.32 3kk3 n ARG 211 Ca -0.00 0.56 0.07 0.00 -0.77 0.00 0.00 57.85 57.70 3kk3 n ARG 211 Cb 0.29 -1.73 0.19 0.00 -1.02 0.00 0.00 32.46 30.19 3kk3 n ARG 211 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3kk3 n TRP 212 N -1.86 0.61 -0.72 -1.55 7.02 -0.47 -4.76 117.44 115.70 3kk3 n TRP 212 Ca -0.01 -0.56 0.00 0.00 -1.02 0.00 0.00 57.50 55.91 3kk3 n TRP 212 Cb 0.02 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 28.84 3kk3 n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kk3 n GLY 213 N 0.44 0.59 3.15 6.99 0.00 -0.13 -3.66 105.19 112.57 3kk3 n GLY 213 Ca 0.14 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 3kk3 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kk3 s LEU 214 N 0.00 4.47 0.21 0.99 1.43 0.11 -4.16 118.68 121.73 3kk3 s LEU 214 Ca 0.00 -1.61 -0.30 0.00 -1.03 0.00 0.00 54.13 51.20 3kk3 s LEU 214 Cb 0.00 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.38 3kk3 s LEU 214 CO 0.00 -0.38 1.00 -0.89 0.23 0.00 0.00 176.35 176.32 3kk3 s THR 215 N 1.19 4.02 -0.70 5.49 2.01 -1.26 -3.45 115.64 122.94 3kk3 s THR 215 Ca 0.01 1.89 -0.00 0.00 0.31 0.00 0.00 61.69 63.90 3kk3 s THR 215 Cb -0.21 -4.20 0.17 0.00 0.01 0.00 0.00 72.50 68.27 3kk3 s THR 215 CO -0.03 0.39 0.52 0.42 -0.69 0.00 0.00 174.62 175.24 3kk3 s THR 216 N -0.74 3.61 0.00 -0.82 -4.23 -1.26 -0.25 115.64 111.95 3kk3 s THR 216 Ca 0.45 -3.49 0.00 0.00 -1.18 0.00 0.00 61.69 57.46 3kk3 s THR 216 Cb -0.27 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.24 3kk3 s THR 216 CO 0.34 -0.95 0.00 -2.65 -0.54 0.00 0.00 174.62 170.82 3kk3 n PRO 217 N 2.85 -0.12 -3.13 3.99 -0.02 -1.26 -4.91 135.00 132.41 3kk3 n PRO 217 Ca 0.13 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.34 3kk3 n PRO 217 Cb 0.36 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.79 3kk3 n PRO 217 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3kk3 n ASP 218 N -1.52 4.15 -3.64 2.55 9.92 -1.26 -4.27 116.55 122.48 3kk3 n ASP 218 Ca 0.00 -3.58 -0.41 0.00 -0.53 0.00 0.00 54.79 50.27 3kk3 n ASP 218 Cb 0.00 -0.60 0.01 0.00 -0.64 0.00 0.00 41.12 39.89 3kk3 n ASP 218 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3kk3 n LYS 219 N 0.20 5.11 -3.66 -1.24 2.85 -1.26 -5.03 118.16 115.13 3kk3 n LYS 219 Ca 0.30 -4.34 -0.39 0.00 -1.05 0.00 0.00 58.31 52.84 3kk3 n LYS 219 Cb 0.40 -2.53 -0.12 0.00 -0.65 0.00 0.00 35.03 32.14 3kk3 n LYS 219 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3kk3 s LYS 220 N -3.30 2.95 -0.73 -1.58 2.20 -1.26 -3.88 119.74 114.13 3kk3 s LYS 220 Ca 0.42 -0.98 -0.26 0.00 -0.36 0.00 0.00 55.97 54.78 3kk3 s LYS 220 Cb 0.17 -3.60 -0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3kk3 s LYS 220 CO -0.10 -0.60 1.65 -1.01 -0.36 0.00 0.00 175.35 174.94 3kk3 s HIS 221 N 1.54 1.96 0.25 4.03 3.76 -0.58 -4.96 115.29 121.28 3kk3 s HIS 221 Ca 0.02 0.34 -0.06 0.00 -0.15 0.00 0.00 55.06 55.22 3kk3 s HIS 221 Cb -0.18 -4.31 -0.06 0.00 1.11 0.00 0.00 32.58 29.14 3kk3 s HIS 221 CO 0.05 -2.12 0.51 -1.14 -0.85 0.00 0.00 174.74 171.20 3kk3 s GLN 222 N 6.43 3.66 0.00 1.40 0.74 -1.26 -3.31 119.66 127.32 3kk3 s GLN 222 Ca 0.55 0.03 0.00 0.00 0.05 0.00 0.00 55.36 56.00 3kk3 s GLN 222 Cb -0.09 -2.69 0.00 0.00 1.10 0.00 0.00 33.01 31.33 3kk3 s GLN 222 CO 0.13 0.29 0.00 1.17 -0.55 0.00 0.00 175.29 176.33 3kk3 n LYS 223 N -0.56 -0.56 -2.83 1.67 4.81 -1.26 -4.72 118.16 114.70 3kk3 n LYS 223 Ca -0.01 -0.28 -0.11 0.00 -0.87 0.00 0.00 58.31 57.04 3kk3 n LYS 223 Cb 0.53 0.50 0.05 0.00 0.02 0.00 0.00 35.03 36.13 3kk3 n LYS 223 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3kk3 n GLU 224 N -0.70 1.08 -1.80 1.64 2.13 -1.26 -5.05 120.64 116.67 3kk3 n GLU 224 Ca 0.00 -2.70 -0.41 0.00 0.66 0.00 0.00 57.16 54.72 3kk3 n GLU 224 Cb 0.00 -1.05 -0.00 0.00 0.27 0.00 0.00 31.44 30.66 3kk3 n GLU 224 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3kk3 s PRO 225 N -1.50 4.10 0.08 5.31 0.02 -1.26 -2.20 135.00 139.55 3kk3 s PRO 225 Ca 0.28 2.57 -0.31 0.00 0.02 0.00 0.00 61.00 63.56 3kk3 s PRO 225 Cb 0.38 -2.96 -0.07 0.00 0.02 0.00 0.00 34.50 31.87 3kk3 s PRO 225 CO -0.04 -0.54 1.33 -2.14 -0.33 0.00 0.00 177.00 175.28 3kk3 s PRO 226 N -2.10 4.35 0.15 5.54 0.02 -1.26 -5.06 135.00 136.63 3kk3 s PRO 226 Ca 0.53 1.96 -0.26 0.00 0.02 0.00 0.00 61.00 63.25 3kk3 s PRO 226 Cb -0.46 -3.32 -0.08 0.00 0.02 0.00 0.00 34.50 30.66 3kk3 s PRO 226 CO 0.63 -0.39 0.79 -0.06 -0.33 0.00 0.00 177.00 177.63 3kk3 s PHE 227 N 1.26 3.89 -0.35 6.54 0.40 -0.43 -4.81 117.98 124.48 3kk3 s PHE 227 Ca 0.62 1.63 -0.12 0.00 -0.60 0.00 0.00 56.93 58.47 3kk3 s PHE 227 Cb -0.34 -2.79 0.01 0.00 0.51 0.00 0.00 43.02 40.41 3kk3 s PHE 227 CO 0.29 0.47 0.21 -0.51 0.70 0.00 0.00 175.22 176.38 3kk3 s LEU 228 N -0.96 4.56 -0.04 -0.37 1.43 -1.26 -0.30 118.68 121.75 3kk3 s LEU 228 Ca 0.37 -0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3kk3 s LEU 228 Cb -0.23 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 43.96 3kk3 s LEU 228 CO 0.26 -0.31 0.01 0.86 0.23 0.00 0.00 176.35 177.40 3kk3 s TRP 229 N 1.62 0.34 -1.41 0.29 -0.00 -0.50 -4.87 118.94 114.41 3kk3 s TRP 229 Ca 0.04 0.01 0.00 0.00 -0.00 0.00 0.00 56.10 56.15 3kk3 s TRP 229 Cb -0.18 -0.49 0.00 0.00 -0.00 0.00 0.00 33.47 32.80 3kk3 s TRP 229 CO 0.08 -0.17 0.00 -1.33 -0.00 0.00 0.00 176.95 175.53 3kk3 n MET 230 N 4.46 -1.43 0.00 5.86 2.81 -1.26 -0.19 117.12 127.37 3kk3 n MET 230 Ca -0.20 0.79 0.00 0.00 -1.81 0.00 0.00 57.70 56.47 3kk3 n MET 230 Cb 0.50 -5.09 0.00 0.00 -0.71 0.00 0.00 33.22 27.92 3kk3 n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kk3 n GLY 231 N -0.34 0.70 3.50 3.03 0.00 -1.26 -5.09 105.19 105.72 3kk3 n GLY 231 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 3kk3 n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kk3 s TYR 232 N -2.00 2.31 -0.20 1.61 2.02 0.73 -2.66 117.35 119.15 3kk3 s TYR 232 Ca 0.00 -0.44 -0.10 0.00 -0.37 0.00 0.00 57.07 56.16 3kk3 s TYR 232 Cb 0.00 -1.18 -0.05 0.00 -0.40 0.00 0.00 41.96 40.33 3kk3 s TYR 232 CO 0.00 0.62 0.12 -1.21 -1.57 0.00 0.00 175.55 173.51 3kk3 s GLU 233 N -3.57 4.16 -0.27 -0.62 2.02 -0.40 -1.41 118.70 118.60 3kk3 s GLU 233 Ca 0.31 -0.23 -0.05 0.00 0.02 0.00 0.00 54.97 55.01 3kk3 s GLU 233 Cb -0.01 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.83 3kk3 s GLU 233 CO 0.15 0.31 0.03 -0.51 0.02 0.00 0.00 175.26 175.26 3kk3 s LEU 234 N 0.34 3.49 0.35 1.80 1.43 0.59 -1.62 118.68 125.06 3kk3 s LEU 234 Ca 0.08 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3kk3 s LEU 234 Cb -0.11 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3kk3 s LEU 234 CO -0.02 -0.12 0.44 -1.00 0.23 0.00 0.00 176.35 175.88 3kk3 s HIS 235 N 1.49 3.00 0.47 0.29 3.76 0.44 -1.31 115.29 123.42 3kk3 s HIS 235 Ca 0.03 -0.28 0.19 0.00 -0.15 0.00 0.00 55.06 54.86 3kk3 s HIS 235 Cb -0.16 -2.02 1.23 0.00 1.11 0.00 0.00 32.58 32.73 3kk3 s HIS 235 CO 0.00 -0.04 2.06 -1.35 -0.85 0.00 0.00 174.74 174.56 3kk3 h PRO 236 N 0.93 0.00 0.00 8.40 0.11 -1.98 -3.22 132.00 136.24 3kk3 h PRO 236 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kk3 h PRO 236 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kk3 h PRO 236 CO 0.53 0.13 0.00 -0.25 -0.21 0.00 0.00 178.00 178.20 3kk3 n ASP 237 N -4.15 0.06 -4.07 -2.05 9.92 -1.26 -4.86 116.55 110.14 3kk3 n ASP 237 Ca -0.02 -0.39 -0.11 0.00 -0.53 0.00 0.00 54.79 53.74 3kk3 n ASP 237 Cb 0.21 0.59 -0.11 0.00 -0.64 0.00 0.00 41.12 41.17 3kk3 n ASP 237 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3kk3 s LYS 238 N -0.59 0.55 0.34 -1.24 -2.85 -1.22 -4.65 119.74 110.09 3kk3 s LYS 238 Ca 0.00 -0.91 0.07 0.00 -1.00 0.00 0.00 55.97 54.13 3kk3 s LYS 238 Cb 0.00 -0.11 -0.07 0.00 -2.06 0.00 0.00 37.83 35.59 3kk3 s LYS 238 CO 0.00 -0.01 -0.02 1.67 0.10 0.00 0.00 175.35 177.09 3kk3 s TRP 239 N -2.22 2.21 0.27 1.78 1.48 0.01 -0.42 118.94 122.06 3kk3 s TRP 239 Ca -0.05 -0.70 -0.20 0.00 -1.06 0.00 0.00 56.10 54.10 3kk3 s TRP 239 Cb -0.04 -1.39 0.02 0.00 -1.16 0.00 0.00 33.47 30.90 3kk3 s TRP 239 CO -0.02 0.34 0.69 -0.08 -4.06 0.00 0.00 176.95 173.82 3kk3 s THR 240 N -2.89 0.00 0.04 0.66 -1.32 -0.64 -0.23 115.64 111.25 3kk3 s THR 240 Ca 0.33 -0.98 -0.13 0.00 -1.21 0.00 0.00 61.69 59.70 3kk3 s THR 240 Cb 0.06 -1.96 -0.06 0.00 -1.51 0.00 0.00 72.50 69.04 3kk3 s THR 240 CO 0.15 -0.00 0.41 0.68 -2.21 0.00 0.00 174.62 173.65 3kk3 s VAL 241 N -3.92 5.05 0.49 5.08 -7.23 -1.26 -1.28 120.40 117.32 3kk3 s VAL 241 Ca 0.11 0.69 -0.24 0.00 -1.81 0.00 0.00 61.98 60.74 3kk3 s VAL 241 Cb -0.05 -3.68 -0.07 0.00 0.56 0.00 0.00 36.38 33.14 3kk3 s VAL 241 CO 0.06 0.45 1.36 -1.10 -0.31 0.00 0.00 175.10 175.56 3kk3 s GLN 242 N -1.45 3.50 0.25 4.82 -0.21 -1.09 -4.74 119.66 120.74 3kk3 s GLN 242 Ca 0.28 2.25 -0.31 0.00 0.02 0.00 0.00 55.36 57.61 3kk3 s GLN 242 Cb -0.15 -2.48 -0.14 0.00 1.00 0.00 0.00 33.01 31.24 3kk3 s GLN 242 CO 0.15 -0.91 1.29 -0.35 -2.12 0.00 0.00 175.29 173.35 3kk3 n PRO 243 N -0.53 1.80 -4.10 2.91 -0.04 -1.26 -5.00 135.00 128.79 3kk3 n PRO 243 Ca 0.07 0.64 -0.34 0.00 -0.04 0.00 0.00 63.50 63.83 3kk3 n PRO 243 Cb 0.44 -2.22 -0.07 0.00 -0.04 0.00 0.00 33.50 31.61 3kk3 n PRO 243 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kk3 s ILE 244 N -0.38 4.86 -0.21 0.52 1.01 -1.26 -5.09 121.20 120.65 3kk3 s ILE 244 Ca 0.66 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 61.04 3kk3 s ILE 244 Cb -0.68 -3.17 0.07 0.00 0.01 0.00 0.00 42.46 38.69 3kk3 s ILE 244 CO 0.53 0.46 0.07 -0.69 0.00 0.00 0.00 174.94 175.31 3kk3 s VAL 245 N -1.11 0.25 0.12 2.92 1.01 -1.26 -5.12 120.40 117.22 3kk3 s VAL 245 Ca 0.20 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 3kk3 s VAL 245 Cb -0.12 -0.91 -0.07 0.00 0.00 0.00 0.00 36.38 35.28 3kk3 s VAL 245 CO 0.10 -0.35 1.18 -0.76 0.00 0.00 0.00 175.10 175.27 3kk3 s LEU 246 N 1.97 4.42 -0.23 3.92 1.43 -1.26 -4.94 118.68 123.99 3kk3 s LEU 246 Ca 0.02 2.10 -0.28 0.00 -1.03 0.00 0.00 54.13 54.94 3kk3 s LEU 246 Cb -0.17 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 3kk3 s LEU 246 CO -0.14 -0.39 2.16 -2.16 0.23 0.00 0.00 176.35 176.05 3kk3 s PRO 247 N 0.38 3.18 -0.75 1.29 0.04 -1.26 -4.91 135.00 132.97 3kk3 s PRO 247 Ca 0.55 1.96 -0.25 0.00 0.04 0.00 0.00 61.00 63.30 3kk3 s PRO 247 Cb -0.30 -4.35 0.05 0.00 0.04 0.00 0.00 34.50 29.94 3kk3 s PRO 247 CO 0.33 -2.05 1.21 -1.21 0.04 0.00 0.00 177.00 175.31 3kk3 s GLU 248 N 6.22 3.21 0.16 4.56 2.02 -1.26 -4.99 118.70 128.62 3kk3 s GLU 248 Ca 0.98 -0.51 0.10 0.00 0.02 0.00 0.00 54.97 55.55 3kk3 s GLU 248 Cb -0.32 -4.31 -0.04 0.00 0.10 0.00 0.00 34.13 29.56 3kk3 s GLU 248 CO 0.35 -2.06 -0.20 0.21 0.02 0.00 0.00 175.26 173.58 3kk3 s LYS 249 N 5.15 1.68 -0.15 1.61 2.20 -1.26 -5.07 119.74 123.89 3kk3 s LYS 249 Ca 0.32 -1.36 -0.24 0.00 -0.36 0.00 0.00 55.97 54.33 3kk3 s LYS 249 Cb -0.10 -1.99 -0.22 0.00 -1.51 0.00 0.00 37.83 34.02 3kk3 s LYS 249 CO 0.11 0.43 0.54 -0.44 -0.36 0.00 0.00 175.35 175.64 3kk3 h ASP 250 N 3.38 0.00 -3.54 1.43 3.32 -2.06 -3.44 116.42 115.52 3kk3 h ASP 250 Ca -0.48 -0.77 -0.63 0.00 0.02 0.00 0.00 57.03 55.17 3kk3 h ASP 250 Cb 1.19 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.34 3kk3 h ASP 250 CO 0.47 1.07 -0.73 -0.55 -1.72 0.00 0.00 179.24 177.79 3kk3 s SER 251 N -6.31 4.45 -0.18 6.45 0.15 -1.26 -5.05 113.70 111.95 3kk3 s SER 251 Ca -0.20 -2.05 -0.29 0.00 0.70 0.00 0.00 55.95 54.11 3kk3 s SER 251 Cb -0.00 -1.34 -0.02 0.00 -1.71 0.00 0.00 66.02 62.94 3kk3 s SER 251 CO 0.60 -0.38 1.36 0.26 1.20 0.00 0.00 173.24 176.28 3kk3 s TRP 252 N 1.06 2.62 0.71 3.44 0.51 -1.26 -5.01 118.94 121.00 3kk3 s TRP 252 Ca 0.11 0.82 -0.11 0.00 -2.12 0.00 0.00 56.10 54.80 3kk3 s TRP 252 Cb -0.19 -3.69 0.02 0.00 -0.81 0.00 0.00 33.47 28.80 3kk3 s TRP 252 CO -0.13 -2.13 1.07 0.95 -0.51 0.00 0.00 176.95 176.20 3kk3 s THR 253 N 3.92 3.89 0.10 2.01 -4.23 -1.26 -2.07 115.64 118.00 3kk3 s THR 253 Ca 0.59 0.61 -0.23 0.00 -1.18 0.00 0.00 61.69 61.49 3kk3 s THR 253 Cb -0.23 -3.38 -0.11 0.00 1.34 0.00 0.00 72.50 70.12 3kk3 s THR 253 CO 0.20 -0.80 1.72 1.62 -0.54 0.00 0.00 174.62 176.82 3kk3 h VAL 254 N -0.75 0.90 0.00 2.29 3.04 -1.46 -1.93 116.25 118.32 3kk3 h VAL 254 Ca -0.44 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.24 3kk3 h VAL 254 Cb 1.22 0.90 -0.00 0.00 -2.01 0.00 0.00 31.29 31.40 3kk3 h VAL 254 CO 0.58 0.00 -0.05 -1.13 -1.01 0.00 0.00 177.57 175.96 3kk3 h ASN 255 N -0.05 0.00 0.12 3.17 -0.73 -1.83 0.62 115.58 116.88 3kk3 h ASN 255 Ca 0.02 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.15 3kk3 h ASN 255 Cb 0.09 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 3kk3 h ASN 255 CO -0.06 0.05 -0.15 0.44 -0.37 0.00 0.00 177.43 177.34 3kk3 h ASP 256 N 0.00 0.08 0.51 1.15 3.45 -1.66 -1.94 116.42 118.01 3kk3 h ASP 256 Ca -0.00 -0.01 -0.24 0.00 0.43 0.00 0.00 57.03 57.21 3kk3 h ASP 256 Cb 0.10 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.85 3kk3 h ASP 256 CO 0.01 0.24 -1.04 0.40 -1.57 0.00 0.00 179.24 177.28 3kk3 h ILE 257 N 0.08 1.46 -0.13 0.35 2.04 0.78 -2.09 117.51 120.01 3kk3 h ILE 257 Ca 0.02 -2.73 -0.09 0.00 1.00 0.00 0.00 64.86 63.06 3kk3 h ILE 257 Cb 0.32 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 3kk3 h ILE 257 CO 0.02 0.80 -0.32 0.00 0.00 0.00 0.00 178.15 178.65 3kk3 h LYS 259 N 0.22 0.00 0.16 0.00 3.64 -1.19 -1.95 116.57 117.44 3kk3 h LYS 259 Ca 0.03 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.17 3kk3 h LYS 259 Cb 0.68 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.52 3kk3 h LYS 259 CO 0.05 0.34 -1.12 1.25 -2.27 0.00 0.00 179.45 177.71 3kk3 h LEU 260 N 0.00 0.53 -1.84 5.20 5.85 -0.84 -3.14 115.31 121.08 3kk3 h LEU 260 Ca -0.00 -0.93 0.06 0.00 0.84 0.00 0.00 57.88 57.85 3kk3 h LEU 260 Cb 0.66 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3kk3 h LEU 260 CO 0.04 1.52 0.23 0.58 -0.34 0.00 0.00 178.44 180.47 3kk3 h VAL 261 N -0.24 0.94 0.16 1.05 2.07 -1.02 -2.56 116.25 116.65 3kk3 h VAL 261 Ca -0.21 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3kk3 h VAL 261 Cb 1.79 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3kk3 h VAL 261 CO 0.16 0.04 -0.08 1.23 0.02 0.00 0.00 177.57 178.94 3kk3 h GLY 262 N 0.20 -0.22 1.29 2.17 0.00 -1.36 -1.25 103.07 103.90 3kk3 h GLY 262 Ca 0.15 0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 3kk3 h GLY 262 CO -0.02 -0.08 0.13 0.50 0.00 0.00 0.00 176.54 177.06 3kk3 h LYS 263 N -0.51 0.89 -0.63 4.80 1.57 -1.48 -2.10 116.57 119.12 3kk3 h LYS 263 Ca -0.02 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3kk3 h LYS 263 Cb 0.39 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3kk3 h LYS 263 CO 0.04 0.80 0.27 -0.07 -0.57 0.00 0.00 179.45 179.92 3kk3 h LEU 264 N 0.85 0.85 -0.27 2.94 -0.00 -1.39 -0.03 115.31 118.25 3kk3 h LEU 264 Ca 0.18 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 3kk3 h LEU 264 Cb 0.32 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.75 3kk3 h LEU 264 CO 0.00 0.77 0.18 0.78 -0.00 0.00 0.00 178.44 180.17 3kk3 h ASN 265 N 0.87 0.31 -0.35 -0.43 2.35 -0.86 -0.16 115.58 117.32 3kk3 h ASN 265 Ca 0.21 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3kk3 h ASN 265 Cb 0.17 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3kk3 h ASN 265 CO -0.02 0.23 0.14 -0.25 -1.65 0.00 0.00 177.43 175.88 3kk3 h TRP 266 N 0.37 0.57 0.00 1.19 2.91 -1.17 -1.04 115.95 118.78 3kk3 h TRP 266 Ca 0.10 -0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.04 3kk3 h TRP 266 Cb -0.04 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.42 3kk3 h TRP 266 CO -0.06 0.47 -0.28 0.00 -1.03 0.00 0.00 178.44 177.53 3kk3 h ALA 267 N 1.59 0.98 0.00 2.65 0.00 -0.51 -3.20 119.26 120.77 3kk3 h ALA 267 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kk3 h ALA 267 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kk3 h ALA 267 CO -0.01 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.46 3kk3 n SER 268 N -3.41 0.00 0.07 0.00 3.41 -0.12 -1.58 113.62 111.99 3kk3 n SER 268 Ca 0.00 0.20 0.13 0.00 -0.26 0.00 0.00 58.87 58.94 3kk3 n SER 268 Cb 0.48 -0.37 0.38 0.00 -0.26 0.00 0.00 64.21 64.44 3kk3 n SER 268 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kk3 n GLN 269 N -1.37 0.20 0.00 4.33 10.64 -1.21 -2.86 117.38 127.11 3kk3 n GLN 269 Ca 0.07 0.13 0.00 0.00 -1.83 0.00 0.00 57.00 55.38 3kk3 n GLN 269 Cb 0.19 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 27.86 3kk3 n GLN 269 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 3kk3 n ILE 270 N -2.04 0.00 -3.11 -0.39 0.13 -1.00 -1.21 119.36 111.74 3kk3 n ILE 270 Ca 0.05 -0.00 -0.45 0.00 -1.10 0.00 0.00 62.75 61.25 3kk3 n ILE 270 Cb 0.41 0.39 -0.04 0.00 -0.84 0.00 0.00 39.64 39.55 3kk3 n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3kk3 s TYR 271 N -0.02 3.01 0.29 9.51 2.02 -0.62 -4.67 117.35 126.88 3kk3 s TYR 271 Ca 0.00 -0.99 -0.30 0.00 -0.37 0.00 0.00 57.07 55.42 3kk3 s TYR 271 Cb 0.00 -4.03 -0.13 0.00 -0.40 0.00 0.00 41.96 37.40 3kk3 s TYR 271 CO 0.00 -1.30 1.31 -0.35 -1.57 0.00 0.00 175.55 173.64 3kk3 n PRO 272 N 6.32 1.98 -0.08 -1.71 -0.04 -1.26 -3.56 135.00 136.65 3kk3 n PRO 272 Ca -0.08 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 3kk3 n PRO 272 Cb 0.43 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3kk3 n PRO 272 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kk3 n GLY 273 N 1.48 0.91 3.68 0.55 0.00 -1.26 -5.04 105.19 105.51 3kk3 n GLY 273 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3kk3 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kk3 s ILE 274 N -2.02 3.67 -0.13 -0.61 -1.09 -1.23 -4.96 121.20 114.83 3kk3 s ILE 274 Ca 0.00 1.01 -0.03 0.00 -2.23 0.00 0.00 60.65 59.39 3kk3 s ILE 274 Cb 0.00 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 3kk3 s ILE 274 CO 0.00 -0.02 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.14 3kk3 s LYS 275 N 2.76 3.38 0.00 2.79 1.02 -1.26 -4.82 119.74 123.61 3kk3 s LYS 275 Ca 0.66 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 56.20 3kk3 s LYS 275 Cb -0.32 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 3kk3 s LYS 275 CO 0.27 0.46 0.00 1.55 -0.92 0.00 0.00 175.35 176.71 3kk3 n VAL 276 N 2.87 0.00 -0.33 3.17 3.14 -1.26 -4.83 118.33 121.10 3kk3 n VAL 276 Ca -0.18 -0.06 0.05 0.00 -2.96 0.00 0.00 64.34 61.20 3kk3 n VAL 276 Cb 0.53 0.99 0.24 0.00 -1.06 0.00 0.00 33.84 34.54 3kk3 n VAL 276 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3kk3 h ARG 277 N 0.00 0.98 -0.09 1.45 9.65 -1.91 0.56 114.38 125.01 3kk3 h ARG 277 Ca 0.00 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.73 3kk3 h ARG 277 Cb 0.00 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.35 3kk3 h ARG 277 CO 0.00 0.65 -0.34 1.96 2.80 0.00 0.00 179.97 185.04 3kk3 h GLN 278 N 1.01 0.18 0.08 0.20 1.08 -1.94 -3.13 115.11 112.59 3kk3 h GLN 278 Ca 0.43 -0.07 -0.31 0.00 -1.45 0.00 0.00 58.65 57.25 3kk3 h GLN 278 Cb 0.33 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 3kk3 h GLN 278 CO -0.19 0.51 -1.66 -0.07 -0.95 0.00 0.00 178.83 176.47 3kk3 h LEU 279 N 0.16 0.26 -3.11 1.46 3.38 -1.71 -3.24 115.31 112.52 3kk3 h LEU 279 Ca 0.02 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 3kk3 h LEU 279 Cb 0.68 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3kk3 h LEU 279 CO 0.05 1.39 0.02 -1.54 0.09 0.00 0.00 178.44 178.45 3kk3 n SER 280 N -3.34 5.46 0.00 -0.43 3.41 0.11 -2.87 113.62 115.97 3kk3 n SER 280 Ca -0.19 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 3kk3 n SER 280 Cb 1.04 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3kk3 n SER 280 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3kk3 n LYS 281 N 1.44 0.50 0.24 4.33 3.00 -1.19 -4.65 118.16 121.83 3kk3 n LYS 281 Ca 0.06 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.47 3kk3 n LYS 281 Cb 0.53 -0.76 0.54 0.00 0.00 0.00 0.00 35.03 35.35 3kk3 n LYS 281 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3kk3 h LEU 282 N 0.00 0.00 0.00 3.14 3.38 -1.60 0.16 115.31 120.39 3kk3 h LEU 282 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kk3 h LEU 282 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3kk3 h LEU 282 CO 0.00 0.00 -0.28 -0.07 0.09 0.00 0.00 178.44 178.18 3kk3 h LEU 283 N 0.00 0.00 -6.02 1.67 3.38 -1.83 -3.41 115.31 109.10 3kk3 h LEU 283 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3kk3 h LEU 283 Cb 0.65 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.43 3kk3 h LEU 283 CO 0.00 0.06 1.61 -2.11 0.09 0.00 0.00 178.44 178.09 3kk3 n ARG 284 N -3.02 0.71 -3.32 1.13 1.85 0.57 -4.62 116.66 109.96 3kk3 n ARG 284 Ca 0.03 -0.95 -0.11 0.00 -1.00 0.00 0.00 57.85 55.82 3kk3 n ARG 284 Cb 0.56 -2.27 -0.06 0.00 -1.05 0.00 0.00 32.46 29.63 3kk3 n ARG 284 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3kk3 s GLY 285 N 4.83 -0.44 0.01 2.89 0.00 -1.26 -5.11 107.32 108.25 3kk3 s GLY 285 Ca 0.25 -0.16 -0.39 0.00 0.00 0.00 0.00 44.72 44.42 3kk3 s GLY 285 CO 0.05 2.97 1.08 2.41 0.00 0.00 0.00 173.10 179.61 3kk3 n THR 286 N 4.99 0.04 -3.99 0.90 -1.04 -1.26 -4.70 114.28 109.22 3kk3 n THR 286 Ca 0.04 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.05 61.95 3kk3 n THR 286 Cb 0.48 -0.07 -0.11 0.00 -1.82 0.00 0.00 70.33 68.81 3kk3 n THR 286 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3kk3 s LYS 287 N 0.02 0.39 -0.15 -2.82 -2.85 -1.26 -5.12 119.74 107.96 3kk3 s LYS 287 Ca 0.90 -0.70 -0.05 0.00 -1.00 0.00 0.00 55.97 55.12 3kk3 s LYS 287 Cb -1.23 0.14 -0.03 0.00 -2.06 0.00 0.00 37.83 34.64 3kk3 s LYS 287 CO 0.56 -0.07 0.01 0.00 0.10 0.00 0.00 175.35 175.95 3kk3 s ALA 288 N -1.94 3.23 0.49 0.59 0.00 -1.26 -5.00 121.76 117.86 3kk3 s ALA 288 Ca -0.11 -0.78 0.34 0.00 0.00 0.00 0.00 51.96 51.41 3kk3 s ALA 288 Cb -0.06 -1.67 1.85 0.00 0.00 0.00 0.00 23.12 23.23 3kk3 s ALA 288 CO -0.03 0.30 2.20 -0.07 0.00 0.00 0.00 175.76 178.17 3kk3 h LEU 289 N 6.30 0.00 -0.14 0.00 3.38 -1.99 -1.43 115.31 121.42 3kk3 h LEU 289 Ca -0.38 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.47 3kk3 h LEU 289 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3kk3 h LEU 289 CO 0.64 0.04 -0.36 0.74 0.09 0.00 0.00 178.44 179.59 3kk3 h THR 290 N 0.00 1.36 -0.61 0.22 2.02 -1.98 -3.11 112.91 110.80 3kk3 h THR 290 Ca -0.00 -1.63 -0.27 0.00 0.77 0.00 0.00 66.41 65.27 3kk3 h THR 290 Cb 0.18 2.03 0.06 0.00 -1.74 0.00 0.00 68.15 68.68 3kk3 h THR 290 CO 0.01 0.49 -0.34 1.21 0.37 0.00 0.00 175.52 177.25 3kk3 n GLU 291 N -4.34 0.00 -3.70 6.66 2.13 -0.54 -4.58 120.64 116.27 3kk3 n GLU 291 Ca -0.07 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.37 3kk3 n GLU 291 Cb 0.51 -0.43 -0.11 0.00 0.27 0.00 0.00 31.44 31.68 3kk3 n GLU 291 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kk3 s VAL 292 N -0.61 3.78 -0.08 6.31 1.01 -1.26 -1.93 120.40 127.61 3kk3 s VAL 292 Ca 0.26 -1.53 -0.23 0.00 0.00 0.00 0.00 61.98 60.48 3kk3 s VAL 292 Cb -0.32 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3kk3 s VAL 292 CO 0.26 -0.46 0.70 -0.51 0.00 0.00 0.00 175.10 175.09 3kk3 s ILE 293 N 1.33 5.04 0.29 2.22 1.10 -0.88 -4.95 121.20 125.36 3kk3 s ILE 293 Ca 0.03 1.44 -0.29 0.00 -0.51 0.00 0.00 60.65 61.31 3kk3 s ILE 293 Cb -0.22 -4.04 -0.10 0.00 0.15 0.00 0.00 42.46 38.25 3kk3 s ILE 293 CO 0.00 0.23 1.25 -2.16 -2.11 0.00 0.00 174.94 172.16 3kk3 s PRO 294 N 0.94 4.43 -0.19 3.50 0.04 -1.26 -4.45 135.00 138.02 3kk3 s PRO 294 Ca 0.37 2.08 -0.29 0.00 0.04 0.00 0.00 61.00 63.20 3kk3 s PRO 294 Cb -0.18 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 3kk3 s PRO 294 CO 0.17 -0.10 1.84 -1.17 0.04 0.00 0.00 177.00 177.78 3kk3 s LEU 295 N -1.38 3.84 0.28 -3.56 1.98 -1.26 -4.95 118.68 113.63 3kk3 s LEU 295 Ca 0.49 1.84 -0.30 0.00 -2.89 0.00 0.00 54.13 53.27 3kk3 s LEU 295 Cb -0.37 -3.53 -0.11 0.00 0.66 0.00 0.00 46.19 42.84 3kk3 s LEU 295 CO 0.47 -1.43 1.56 -0.89 -1.89 0.00 0.00 176.35 174.17 3kk3 s THR 296 N 5.96 2.20 -0.67 3.68 2.01 -1.26 -4.88 115.64 122.69 3kk3 s THR 296 Ca 0.82 0.17 0.22 0.00 0.31 0.00 0.00 61.69 63.20 3kk3 s THR 296 Cb -0.30 -3.11 0.22 0.00 0.01 0.00 0.00 72.50 69.32 3kk3 s THR 296 CO 0.33 0.03 1.66 1.21 -0.69 0.00 0.00 174.62 177.16 3kk3 n GLU 297 N 2.19 0.14 -0.05 4.92 2.13 -1.26 0.12 120.64 128.84 3kk3 n GLU 297 Ca 0.08 0.34 -0.14 0.00 0.66 0.00 0.00 57.16 58.09 3kk3 n GLU 297 Cb 0.38 -1.75 -0.12 0.00 0.27 0.00 0.00 31.44 30.22 3kk3 n GLU 297 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3kk3 h GLU 298 N 0.00 0.04 -0.46 5.31 4.39 -1.97 -1.51 114.58 120.38 3kk3 h GLU 298 Ca 0.00 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.73 3kk3 h GLU 298 Cb 0.37 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.96 3kk3 h GLU 298 CO 0.00 0.90 -0.02 0.00 -1.16 0.00 0.00 179.01 178.73 3kk3 h ALA 299 N 0.14 0.40 -0.91 3.43 0.00 -1.70 -1.53 119.26 119.11 3kk3 h ALA 299 Ca -0.01 0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.29 3kk3 h ALA 299 Cb 0.93 0.26 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 3kk3 h ALA 299 CO 0.02 -0.40 0.33 0.93 0.00 0.00 0.00 179.25 180.12 3kk3 h GLU 300 N 0.09 0.25 0.31 0.00 4.39 -0.26 0.68 114.58 120.04 3kk3 h GLU 300 Ca 0.23 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 3kk3 h GLU 300 Cb 0.34 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3kk3 h GLU 300 CO -0.40 0.17 -0.16 1.25 -1.16 0.00 0.00 179.01 178.71 3kk3 h LEU 301 N 0.26 -0.39 0.40 1.33 6.46 -0.30 -2.51 115.31 120.57 3kk3 h LEU 301 Ca 0.59 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.36 3kk3 h LEU 301 Cb 1.22 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 41.23 3kk3 h LEU 301 CO -0.63 -0.27 -0.43 -0.33 -0.62 0.00 0.00 178.44 176.16 3kk3 h GLU 302 N -0.43 -0.81 -0.67 1.25 5.08 0.94 -0.20 114.58 119.74 3kk3 h GLU 302 Ca -0.04 0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 3kk3 h GLU 302 Cb 0.34 0.18 -0.12 0.00 0.50 0.00 0.00 28.75 29.66 3kk3 h GLU 302 CO 0.06 -0.54 -0.01 1.25 -1.00 0.00 0.00 179.01 178.76 3kk3 h LEU 303 N -0.84 -0.33 -0.23 1.33 5.85 -0.81 0.24 115.31 120.52 3kk3 h LEU 303 Ca -0.05 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.90 3kk3 h LEU 303 Cb 0.74 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 3kk3 h LEU 303 CO -0.07 -0.15 -0.13 0.00 -0.34 0.00 0.00 178.44 177.75 3kk3 h ALA 304 N 1.62 0.05 -0.75 1.25 0.00 -1.05 0.54 119.26 120.92 3kk3 h ALA 304 Ca 0.35 0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.52 3kk3 h ALA 304 Cb 0.59 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 3kk3 h ALA 304 CO -0.59 -0.55 0.16 0.93 0.00 0.00 0.00 179.25 179.20 3kk3 h GLU 305 N -0.11 0.23 0.24 0.00 5.08 0.12 -1.87 114.58 118.27 3kk3 h GLU 305 Ca 0.13 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3kk3 h GLU 305 Cb 0.30 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3kk3 h GLU 305 CO -0.30 0.15 -0.11 -0.91 -1.00 0.00 0.00 179.01 176.84 3kk3 h ASN 306 N 0.23 -0.27 -0.90 1.42 -0.26 0.59 -2.34 115.58 114.06 3kk3 h ASN 306 Ca 0.43 -0.26 0.24 0.00 -0.56 0.00 0.00 56.30 56.16 3kk3 h ASN 306 Cb 0.76 0.07 -0.05 0.00 -1.06 0.00 0.00 38.32 38.04 3kk3 h ASN 306 CO -0.55 0.20 0.63 -0.09 -1.06 0.00 0.00 177.43 176.56 3kk3 h ARG 307 N -0.84 0.13 -0.17 0.81 9.65 0.26 0.84 114.38 125.06 3kk3 h ARG 307 Ca -0.03 -0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 58.73 3kk3 h ARG 307 Cb 0.51 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3kk3 h ARG 307 CO 0.05 0.09 -0.32 0.93 2.80 0.00 0.00 179.97 183.52 3kk3 h GLU 308 N 0.14 0.52 -0.25 0.20 4.39 -1.29 -3.12 114.58 115.16 3kk3 h GLU 308 Ca 0.45 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3kk3 h GLU 308 Cb 1.55 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.22 3kk3 h GLU 308 CO -0.07 0.94 0.16 0.82 -1.16 0.00 0.00 179.01 179.70 3kk3 h ILE 309 N 0.17 1.07 0.00 3.13 2.04 0.12 -2.57 117.51 121.46 3kk3 h ILE 309 Ca 0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3kk3 h ILE 309 Cb 0.92 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3kk3 h ILE 309 CO 0.07 0.07 0.00 -0.07 0.00 0.00 0.00 178.15 178.22 3kk3 h LEU 310 N 0.34 0.00 0.00 1.44 3.38 -1.02 -1.25 115.31 118.20 3kk3 h LEU 310 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kk3 h LEU 310 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kk3 h LEU 310 CO -0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.80 3kk3 n LYS 311 N -2.81 0.23 -2.80 1.13 5.02 -0.97 -4.80 118.16 113.15 3kk3 n LYS 311 Ca 0.01 0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.93 3kk3 n LYS 311 Cb 0.25 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 3kk3 n LYS 311 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kk3 s GLU 312 N -2.76 4.72 -0.16 1.97 0.41 -0.48 -5.02 118.70 117.38 3kk3 s GLU 312 Ca 0.21 1.38 -0.29 0.00 -0.41 0.00 0.00 54.97 55.85 3kk3 s GLU 312 Cb 0.19 -3.11 -0.01 0.00 -1.78 0.00 0.00 34.13 29.41 3kk3 s GLU 312 CO 0.46 0.45 1.21 -1.25 -0.49 0.00 0.00 175.26 175.64 3kk3 s PRO 313 N -1.48 4.26 0.23 0.39 0.04 -1.26 -5.04 135.00 132.15 3kk3 s PRO 313 Ca 0.43 1.60 0.05 0.00 0.04 0.00 0.00 61.00 63.12 3kk3 s PRO 313 Cb -0.23 -3.71 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 3kk3 s PRO 313 CO 0.28 -0.65 -0.04 0.14 0.04 0.00 0.00 177.00 176.77 3kk3 s VAL 314 N 3.26 1.30 0.21 -0.36 -7.23 -1.26 -5.16 120.40 111.16 3kk3 s VAL 314 Ca 0.53 -2.08 -0.22 0.00 -1.81 0.00 0.00 61.98 58.40 3kk3 s VAL 314 Cb -0.21 -2.29 0.05 0.00 0.56 0.00 0.00 36.38 34.49 3kk3 s VAL 314 CO 0.14 -0.39 0.64 -1.38 -0.31 0.00 0.00 175.10 173.80 3kk3 s HIS 315 N -3.24 -0.36 0.46 2.82 -3.43 -1.26 -4.81 115.29 105.46 3kk3 s HIS 315 Ca 0.27 0.04 0.05 0.00 -0.80 0.00 0.00 55.06 54.61 3kk3 s HIS 315 Cb 0.04 0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 31.76 3kk3 s HIS 315 CO 0.08 -1.01 0.07 0.20 -2.00 0.00 0.00 174.74 172.08 3kk3 s GLY 316 N -2.83 2.68 0.23 -1.38 0.00 0.68 -4.67 107.32 102.03 3kk3 s GLY 316 Ca 0.06 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.38 3kk3 s GLY 316 CO -0.04 -2.10 0.01 3.33 0.00 0.00 0.00 173.10 174.30 3kk3 n VAL 317 N -1.21 0.00 -3.99 1.40 0.24 -1.15 -0.81 118.33 112.82 3kk3 n VAL 317 Ca -0.10 -1.14 -0.22 0.00 -2.04 0.00 0.00 64.34 60.84 3kk3 n VAL 317 Cb 0.66 0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 33.24 3kk3 n VAL 317 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3kk3 s TYR 318 N -1.93 2.86 -0.11 6.34 1.51 -1.26 -4.47 117.35 120.30 3kk3 s TYR 318 Ca 0.01 -0.29 -0.30 0.00 -1.01 0.00 0.00 57.07 55.49 3kk3 s TYR 318 Cb 0.00 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 3kk3 s TYR 318 CO 0.01 0.32 1.01 -0.47 -1.11 0.00 0.00 175.55 175.31 3kk3 s TYR 319 N -2.32 3.50 -0.37 2.71 5.04 0.73 -4.79 117.35 121.85 3kk3 s TYR 319 Ca 0.38 1.58 -0.12 0.00 -2.44 0.00 0.00 57.07 56.47 3kk3 s TYR 319 Cb -0.05 -3.20 0.02 0.00 0.35 0.00 0.00 41.96 39.08 3kk3 s TYR 319 CO 0.25 -0.26 0.22 0.34 -1.34 0.00 0.00 175.55 174.76 3kk3 s ASP 320 N 1.11 5.81 0.00 4.32 2.15 -1.26 -4.26 116.67 124.53 3kk3 s ASP 320 Ca 0.48 -0.91 0.22 0.00 0.43 0.00 0.00 52.55 52.78 3kk3 s ASP 320 Cb -0.18 -2.05 0.99 0.00 -0.30 0.00 0.00 42.92 41.37 3kk3 s ASP 320 CO 0.18 -0.38 1.72 -0.81 -0.17 0.00 0.00 175.17 175.71 3kk3 n PRO 321 N 5.03 0.06 -0.02 4.34 -0.04 -1.26 -2.38 135.00 140.73 3kk3 n PRO 321 Ca -0.12 0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 3kk3 n PRO 321 Cb 0.47 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 3kk3 n PRO 321 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3kk3 h SER 322 N 0.00 0.17 -2.45 3.54 0.02 -2.04 -3.45 113.55 109.34 3kk3 h SER 322 Ca 0.00 -0.05 -0.47 0.00 -0.84 0.00 0.00 61.79 60.43 3kk3 h SER 322 Cb 0.35 -0.04 0.11 0.00 0.14 0.00 0.00 62.40 62.95 3kk3 h SER 322 CO 0.00 0.18 0.20 -0.54 -1.14 0.00 0.00 176.83 175.52 3kk3 s LYS 323 N -5.98 1.24 0.67 3.45 1.02 -1.00 -5.11 119.74 114.03 3kk3 s LYS 323 Ca -0.13 -1.05 -0.04 0.00 0.02 0.00 0.00 55.97 54.78 3kk3 s LYS 323 Cb 0.07 -2.20 0.07 0.00 -0.52 0.00 0.00 37.83 35.26 3kk3 s LYS 323 CO 0.69 -1.82 0.95 -0.51 -0.92 0.00 0.00 175.35 173.74 3kk3 s ASP 324 N -4.84 4.78 -0.11 2.83 1.01 -1.26 -4.95 116.67 114.14 3kk3 s ASP 324 Ca 0.70 0.14 -0.05 0.00 0.71 0.00 0.00 52.55 54.06 3kk3 s ASP 324 Cb -0.04 -0.79 -0.04 0.00 1.01 0.00 0.00 42.92 43.07 3kk3 s ASP 324 CO 0.47 -1.56 0.07 -0.76 0.21 0.00 0.00 175.17 173.61 3kk3 s LEU 325 N -5.11 4.00 -0.04 1.23 1.43 -1.26 -4.54 118.68 114.40 3kk3 s LEU 325 Ca 0.61 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 3kk3 s LEU 325 Cb -0.09 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.21 3kk3 s LEU 325 CO 0.43 0.39 0.03 -0.63 0.23 0.00 0.00 176.35 176.80 3kk3 s ILE 326 N -0.92 0.04 -0.10 -0.59 1.01 0.27 0.19 121.20 121.09 3kk3 s ILE 326 Ca 0.14 0.26 -0.00 0.00 0.00 0.00 0.00 60.65 61.05 3kk3 s ILE 326 Cb -0.12 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 3kk3 s ILE 326 CO 0.03 0.17 -0.08 0.00 0.00 0.00 0.00 174.94 175.06 3kk3 s ALA 327 N 1.66 2.89 -0.18 9.38 0.00 0.63 0.01 121.76 136.16 3kk3 s ALA 327 Ca -0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 3kk3 s ALA 327 Cb -0.13 -1.30 -0.00 0.00 0.00 0.00 0.00 23.12 21.70 3kk3 s ALA 327 CO -0.03 0.40 -0.12 -1.21 0.00 0.00 0.00 175.76 174.81 3kk3 s GLU 328 N -0.23 3.26 0.21 0.00 2.02 -0.21 -0.67 118.70 123.08 3kk3 s GLU 328 Ca 0.03 -0.71 0.01 0.00 0.02 0.00 0.00 54.97 54.32 3kk3 s GLU 328 Cb -0.13 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 3kk3 s GLU 328 CO 0.03 -0.07 0.38 0.42 0.02 0.00 0.00 175.26 176.03 3kk3 s ILE 329 N 1.07 5.23 -0.13 -1.63 -1.09 -1.17 -1.23 121.20 122.25 3kk3 s ILE 329 Ca -0.00 -0.57 -0.04 0.00 -2.23 0.00 0.00 60.65 57.81 3kk3 s ILE 329 Cb -0.15 -3.77 0.06 0.00 -1.58 0.00 0.00 42.46 37.02 3kk3 s ILE 329 CO -0.03 -0.22 0.18 -1.10 -1.23 0.00 0.00 174.94 172.54 3kk3 s GLN 330 N -3.53 0.09 -0.32 2.79 1.11 0.16 -4.52 119.66 115.44 3kk3 s GLN 330 Ca 0.37 0.45 -0.28 0.00 0.01 0.00 0.00 55.36 55.90 3kk3 s GLN 330 Cb -0.10 -0.60 -0.02 0.00 -1.01 0.00 0.00 33.01 31.28 3kk3 s GLN 330 CO 0.30 -0.42 1.76 0.21 0.01 0.00 0.00 175.29 177.14 3kk3 s LYS 331 N 2.31 3.41 -0.19 2.91 2.36 -1.26 -1.71 119.74 127.56 3kk3 s LYS 331 Ca 0.04 1.44 0.16 0.00 -2.55 0.00 0.00 55.97 55.05 3kk3 s LYS 331 Cb -0.13 -4.17 0.45 0.00 -1.05 0.00 0.00 37.83 32.93 3kk3 s LYS 331 CO -0.08 -1.77 1.18 0.00 1.55 0.00 0.00 175.35 176.23 3kk3 n GLN 332 N 8.32 1.77 0.00 4.03 10.64 -0.49 -4.52 117.38 137.13 3kk3 n GLN 332 Ca 0.22 -3.27 0.00 0.00 -1.83 0.00 0.00 57.00 52.12 3kk3 n GLN 332 Cb 0.47 -1.41 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 3kk3 n GLN 332 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3kk3 n GLY 333 N -0.53 1.26 3.55 2.61 0.00 -1.23 -4.81 105.19 106.05 3kk3 n GLY 333 Ca 0.20 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 3kk3 n GLY 333 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kk3 s GLN 334 N -1.13 2.52 -1.76 1.61 2.00 -1.26 -2.57 119.66 119.06 3kk3 s GLN 334 Ca 0.00 0.47 -0.00 0.00 -2.00 0.00 0.00 55.36 53.82 3kk3 s GLN 334 Cb 0.00 -4.58 0.00 0.00 0.80 0.00 0.00 33.01 29.23 3kk3 s GLN 334 CO 0.00 -3.01 0.06 0.41 -0.50 0.00 0.00 175.29 172.25 3kk3 n GLY 335 N 6.05 -0.50 3.29 2.59 0.00 -1.26 -5.00 105.19 110.36 3kk3 n GLY 335 Ca 0.28 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 3kk3 n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kk3 s GLN 336 N -5.11 3.26 0.24 1.61 -0.21 -1.06 -4.34 119.66 114.04 3kk3 s GLN 336 Ca 0.03 -0.73 0.06 0.00 0.02 0.00 0.00 55.36 54.74 3kk3 s GLN 336 Cb -0.01 -2.63 -0.05 0.00 1.00 0.00 0.00 33.01 31.31 3kk3 s GLN 336 CO 0.04 0.06 -0.08 -1.58 -2.12 0.00 0.00 175.29 171.61 3kk3 s TRP 337 N 0.71 1.76 0.03 0.91 0.52 0.58 -1.40 118.94 122.05 3kk3 s TRP 337 Ca -0.07 -0.71 -0.05 0.00 0.02 0.00 0.00 56.10 55.30 3kk3 s TRP 337 Cb -0.15 -0.95 -0.01 0.00 -1.15 0.00 0.00 33.47 31.21 3kk3 s TRP 337 CO 0.02 0.23 0.08 0.99 0.02 0.00 0.00 176.95 178.29 3kk3 s THR 338 N -3.10 0.12 0.15 2.01 2.01 -0.69 -2.48 115.64 113.66 3kk3 s THR 338 Ca 0.26 -1.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 3kk3 s THR 338 Cb 0.03 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.80 3kk3 s THR 338 CO 0.09 -0.55 0.29 -0.72 -0.69 0.00 0.00 174.62 173.04 3kk3 s TYR 339 N -2.24 0.26 0.02 4.92 1.13 0.11 0.35 117.35 121.91 3kk3 s TYR 339 Ca -0.08 -0.64 0.02 0.00 -1.41 0.00 0.00 57.07 54.97 3kk3 s TYR 339 Cb -0.03 0.00 -0.01 0.00 -1.10 0.00 0.00 41.96 40.82 3kk3 s TYR 339 CO -0.03 -0.70 -0.08 1.14 -2.51 0.00 0.00 175.55 173.37 3kk3 s GLN 340 N -3.93 0.56 -0.17 -3.49 0.00 -0.37 -1.78 119.66 110.49 3kk3 s GLN 340 Ca 0.13 -0.48 -0.02 0.00 -0.00 0.00 0.00 55.36 54.98 3kk3 s GLN 340 Cb 0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 33.01 32.55 3kk3 s GLN 340 CO -0.03 0.12 -0.08 0.42 0.00 0.00 0.00 175.29 175.71 3kk3 s ILE 341 N -0.68 3.35 0.21 3.63 1.01 -0.60 -1.05 121.20 127.08 3kk3 s ILE 341 Ca -0.02 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.09 3kk3 s ILE 341 Cb -0.06 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3kk3 s ILE 341 CO 0.00 0.48 0.12 -0.72 0.00 0.00 0.00 174.94 174.82 3kk3 s TYR 342 N 0.77 1.24 0.00 3.97 1.13 0.10 -0.91 117.35 123.65 3kk3 s TYR 342 Ca -0.03 -1.33 0.00 0.00 -1.41 0.00 0.00 57.07 54.30 3kk3 s TYR 342 Cb -0.15 -0.64 0.00 0.00 -1.10 0.00 0.00 41.96 40.07 3kk3 s TYR 342 CO 0.02 -0.56 0.03 1.04 -2.51 0.00 0.00 175.55 173.57 3kk3 n GLN 343 N -0.31 5.50 -3.69 -3.49 6.02 -1.25 -0.57 117.38 119.59 3kk3 n GLN 343 Ca 0.01 -0.03 -0.13 0.00 -0.01 0.00 0.00 57.00 56.83 3kk3 n GLN 343 Cb 0.66 -0.47 -0.09 0.00 1.02 0.00 0.00 30.24 31.36 3kk3 n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3kk3 s GLU 344 N -0.80 0.62 0.20 -1.09 2.02 -1.26 -4.86 118.70 113.53 3kk3 s GLU 344 Ca 0.00 0.74 -0.33 0.00 0.02 0.00 0.00 54.97 55.40 3kk3 s GLU 344 Cb 0.00 0.30 -0.14 0.00 0.10 0.00 0.00 34.13 34.39 3kk3 s GLU 344 CO 0.00 -0.07 1.41 -0.35 0.02 0.00 0.00 175.26 176.26 3kk3 n PRO 345 N 2.79 1.86 -0.94 0.39 -0.04 -1.26 -0.68 135.00 137.12 3kk3 n PRO 345 Ca -0.13 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 3kk3 n PRO 345 Cb 0.56 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 3kk3 n PRO 345 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3kk3 n PHE 346 N 2.26 0.00 -3.72 0.54 3.01 -1.26 -4.97 117.46 113.32 3kk3 n PHE 346 Ca 0.14 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.23 3kk3 n PHE 346 Cb 0.29 -0.87 -0.11 0.00 -0.01 0.00 0.00 39.48 38.78 3kk3 n PHE 346 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kk3 s LYS 347 N -0.82 2.18 -0.73 -1.08 1.02 0.15 -5.08 119.74 115.38 3kk3 s LYS 347 Ca 0.00 -1.90 -0.21 0.00 0.02 0.00 0.00 55.97 53.88 3kk3 s LYS 347 Cb 0.00 -3.68 0.10 0.00 -0.52 0.00 0.00 37.83 33.73 3kk3 s LYS 347 CO 0.00 -1.11 0.96 -0.80 -0.92 0.00 0.00 175.35 173.48 3kk3 s ASN 348 N 1.87 6.32 0.22 2.83 0.01 -1.26 -3.90 114.94 121.02 3kk3 s ASN 348 Ca 0.09 -1.41 -0.18 0.00 -0.71 0.00 0.00 52.86 50.65 3kk3 s ASN 348 Cb -0.23 -2.39 0.22 0.00 0.41 0.00 0.00 41.25 39.26 3kk3 s ASN 348 CO -0.03 -1.26 1.52 0.18 -1.51 0.00 0.00 177.10 175.99 3kk3 n LEU 349 N 7.07 -0.66 0.00 0.60 4.77 -0.09 -2.92 117.00 125.77 3kk3 n LEU 349 Ca 0.04 1.71 0.00 0.00 -0.03 0.00 0.00 56.01 57.73 3kk3 n LEU 349 Cb 0.46 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3kk3 n LEU 349 CO 0.59 -1.53 0.00 2.29 -1.33 0.00 0.00 177.39 177.41 3kk3 n LYS 350 N -5.43 0.00 0.00 3.23 2.85 -1.16 -4.21 118.16 113.44 3kk3 n LYS 350 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 3kk3 n LYS 350 Cb 0.38 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 3kk3 n LYS 350 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3kk3 n THR 351 N 0.00 0.00 0.00 0.58 -2.24 -0.35 -1.56 114.28 110.71 3kk3 n THR 351 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3kk3 n THR 351 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3kk3 n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kk3 n GLY 352 N 0.15 2.65 3.76 3.38 0.00 -0.74 -4.59 105.19 109.80 3kk3 n GLY 352 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 3kk3 n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kk3 s LYS 353 N -2.00 2.74 -0.01 1.61 -2.85 -1.26 0.09 119.74 118.07 3kk3 s LYS 353 Ca 0.00 -0.97 0.07 0.00 -1.00 0.00 0.00 55.97 54.07 3kk3 s LYS 353 Cb 0.00 -2.54 -0.03 0.00 -2.06 0.00 0.00 37.83 33.20 3kk3 s LYS 353 CO 0.00 0.47 -0.21 -0.47 0.10 0.00 0.00 175.35 175.23 3kk3 s TYR 354 N -1.79 2.47 -0.33 1.78 5.04 -1.04 -4.95 117.35 118.53 3kk3 s TYR 354 Ca 0.30 -0.32 0.10 0.00 -2.44 0.00 0.00 57.07 54.71 3kk3 s TYR 354 Cb -0.10 -1.51 0.35 0.00 0.35 0.00 0.00 41.96 41.05 3kk3 s TYR 354 CO 0.22 0.10 1.36 0.00 -1.34 0.00 0.00 175.55 175.90 3kk3 n ALA 355 N 2.13 1.55 -2.73 3.97 0.00 -1.26 -0.31 120.51 123.86 3kk3 n ALA 355 Ca -0.16 -0.99 -0.37 0.00 0.00 0.00 0.00 53.44 51.92 3kk3 n ALA 355 Cb 0.52 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 3kk3 n ALA 355 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kk3 s ARG 356 N 0.14 3.62 -0.77 0.00 3.00 -1.26 -4.88 118.95 118.80 3kk3 s ARG 356 Ca 0.13 0.08 -0.17 0.00 -1.00 0.00 0.00 55.73 54.76 3kk3 s ARG 356 Cb 0.37 -3.20 0.15 0.00 0.00 0.00 0.00 34.95 32.27 3kk3 s ARG 356 CO -0.10 0.74 0.86 1.41 0.00 0.00 0.00 175.30 178.21 3kk3 s MET 357 N -1.07 3.39 -0.59 5.12 -2.45 -1.26 -5.00 119.30 117.43 3kk3 s MET 357 Ca 0.19 -1.80 -0.19 0.00 -1.25 0.00 0.00 55.69 52.63 3kk3 s MET 357 Cb -0.14 -4.52 0.09 0.00 1.25 0.00 0.00 34.83 31.52 3kk3 s MET 357 CO 0.08 -1.54 0.72 1.03 1.05 0.00 0.00 175.02 176.36 3kk3 s ARG 358 N 1.93 3.06 0.00 4.11 0.52 -1.26 -4.88 118.95 122.44 3kk3 s ARG 358 Ca 0.20 -1.21 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 3kk3 s ARG 358 Cb -0.14 -4.24 0.00 0.00 0.52 0.00 0.00 34.95 31.09 3kk3 s ARG 358 CO -0.03 -1.53 0.00 0.41 0.02 0.00 0.00 175.30 174.16 3kk3 n GLY 359 N 5.27 3.07 0.16 -3.53 0.00 -1.26 -4.80 105.19 104.10 3kk3 n GLY 359 Ca -0.09 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.05 3kk3 n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk3 h ALA 360 N 0.00 0.70 -3.73 4.61 0.00 -1.93 -3.45 119.26 115.44 3kk3 h ALA 360 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 3kk3 h ALA 360 Cb 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.49 3kk3 h ALA 360 CO 0.00 0.01 -0.75 -1.01 0.00 0.00 0.00 179.25 177.50 3kk3 s HIS 361 N -3.30 0.42 0.32 0.00 3.76 -1.26 -0.93 115.29 114.30 3kk3 s HIS 361 Ca 0.02 -0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 54.73 3kk3 s HIS 361 Cb 0.08 -0.34 0.02 0.00 1.11 0.00 0.00 32.58 33.45 3kk3 s HIS 361 CO 0.74 -0.06 0.62 -0.08 -0.85 0.00 0.00 174.74 175.11 3kk3 s THR 362 N 0.29 0.00 0.34 1.30 -1.32 -0.04 -5.00 115.64 111.21 3kk3 s THR 362 Ca -0.03 -1.25 0.06 0.00 -1.21 0.00 0.00 61.69 59.26 3kk3 s THR 362 Cb -0.06 -2.46 -0.02 0.00 -1.51 0.00 0.00 72.50 68.45 3kk3 s THR 362 CO -0.00 0.00 0.34 -0.46 -2.21 0.00 0.00 174.62 172.28 3kk3 n ASN 363 N -0.93 -0.88 -0.27 8.08 0.23 -1.26 -1.27 115.26 118.95 3kk3 n ASN 363 Ca -0.04 -3.18 -0.04 0.00 -0.53 0.00 0.00 54.58 50.80 3kk3 n ASN 363 Cb 0.61 1.93 0.12 0.00 -2.08 0.00 0.00 39.78 40.35 3kk3 n ASN 363 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kk3 h ASP 364 N 2.08 1.03 1.22 0.53 3.32 -1.93 -2.52 116.42 120.15 3kk3 h ASP 364 Ca -0.25 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 3kk3 h ASP 364 Cb 1.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 3kk3 h ASP 364 CO 0.36 0.88 -0.38 0.58 -1.72 0.00 0.00 179.24 178.96 3kk3 h VAL 365 N 1.11 0.74 0.70 -1.35 2.07 -1.96 -0.33 116.25 117.25 3kk3 h VAL 365 Ca 0.27 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 3kk3 h VAL 365 Cb 0.14 2.12 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3kk3 h VAL 365 CO -0.03 0.37 -0.34 0.11 0.02 0.00 0.00 177.57 177.70 3kk3 h LYS 366 N 0.00 -0.91 -0.30 1.57 1.57 -1.95 -2.72 116.57 113.83 3kk3 h LYS 366 Ca -0.00 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3kk3 h LYS 366 Cb 1.09 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.53 3kk3 h LYS 366 CO 0.05 -0.61 -0.18 1.96 -0.57 0.00 0.00 179.45 180.11 3kk3 h GLN 367 N -1.19 -0.13 0.00 3.15 4.20 -1.30 0.66 115.11 120.50 3kk3 h GLN 367 Ca -0.10 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3kk3 h GLN 367 Cb 0.72 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.53 3kk3 h GLN 367 CO 0.16 -0.09 0.00 1.25 -0.67 0.00 0.00 178.83 179.48 3kk3 h LEU 368 N -0.14 0.00 0.23 1.46 7.12 -1.18 0.62 115.31 123.42 3kk3 h LEU 368 Ca 0.16 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.83 3kk3 h LEU 368 Cb 0.38 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 40.54 3kk3 h LEU 368 CO -0.39 0.00 -1.56 0.74 -0.13 0.00 0.00 178.44 177.10 3kk3 h THR 369 N 0.00 1.16 -0.06 1.05 2.02 0.47 -3.19 112.91 114.35 3kk3 h THR 369 Ca 0.00 -2.62 -0.01 0.00 0.77 0.00 0.00 66.41 64.55 3kk3 h THR 369 Cb 0.00 2.95 -0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3kk3 h THR 369 CO 0.00 0.82 0.01 -0.33 0.37 0.00 0.00 175.52 176.39 3kk3 h GLU 370 N 0.10 0.11 -0.01 6.66 5.08 0.34 -2.41 114.58 124.44 3kk3 h GLU 370 Ca -0.29 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 3kk3 h GLU 370 Cb 2.12 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.36 3kk3 h GLU 370 CO 0.23 0.34 -0.08 0.00 -1.00 0.00 0.00 179.01 178.50 3kk3 h ALA 371 N 0.76 1.84 -0.04 3.43 0.00 -0.18 0.28 119.26 125.35 3kk3 h ALA 371 Ca 0.02 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3kk3 h ALA 371 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kk3 h ALA 371 CO 0.00 0.12 -0.67 0.28 0.00 0.00 0.00 179.25 178.98 3kk3 h VAL 372 N 0.02 1.42 -0.13 0.00 2.07 -1.53 -2.41 116.25 115.69 3kk3 h VAL 372 Ca 0.00 -2.16 -0.02 0.00 0.82 0.00 0.00 66.70 65.34 3kk3 h VAL 372 Cb 0.16 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3kk3 h VAL 372 CO 0.01 0.63 0.02 1.56 0.02 0.00 0.00 177.57 179.81 3kk3 h GLN 373 N 0.14 0.22 -0.60 1.57 4.20 -0.47 -1.79 115.11 118.38 3kk3 h GLN 373 Ca -0.01 -0.06 0.09 0.00 0.06 0.00 0.00 58.65 58.72 3kk3 h GLN 373 Cb 1.21 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.89 3kk3 h GLN 373 CO 0.10 0.42 0.23 -0.22 -0.67 0.00 0.00 178.83 178.70 3kk3 h LYS 374 N -0.01 0.41 0.00 1.46 3.64 -1.21 -2.24 116.57 118.61 3kk3 h LYS 374 Ca 0.04 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 3kk3 h LYS 374 Cb 0.31 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3kk3 h LYS 374 CO 0.00 0.27 -0.56 0.82 -2.27 0.00 0.00 179.45 177.71 3kk3 h ILE 375 N 0.42 1.33 0.87 2.00 2.04 -1.35 -1.46 117.51 121.36 3kk3 h ILE 375 Ca 0.30 -1.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.14 3kk3 h ILE 375 Cb 0.35 2.09 0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3kk3 h ILE 375 CO -0.29 0.55 -0.42 0.74 0.00 0.00 0.00 178.15 178.73 3kk3 h THR 376 N 0.00 0.13 -0.69 -0.27 2.02 -0.88 -1.30 112.91 111.91 3kk3 h THR 376 Ca -0.01 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 3kk3 h THR 376 Cb 1.04 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3kk3 h THR 376 CO 0.07 0.00 0.25 0.74 0.37 0.00 0.00 175.52 176.95 3kk3 h THR 377 N -1.20 1.24 -0.54 3.16 2.02 -1.30 -1.39 112.91 114.91 3kk3 h THR 377 Ca -0.12 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.26 3kk3 h THR 377 Cb 0.90 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3kk3 h THR 377 CO 0.20 0.32 0.35 -0.08 0.37 0.00 0.00 175.52 176.68 3kk3 h GLU 378 N 1.01 0.71 -0.22 6.66 4.81 -1.32 -2.78 114.58 123.45 3kk3 h GLU 378 Ca 0.23 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3kk3 h GLU 378 Cb 0.24 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3kk3 h GLU 378 CO -0.01 0.47 -0.14 0.77 -0.73 0.00 0.00 179.01 179.37 3kk3 h SER 379 N 0.73 0.34 -0.42 1.04 0.02 -0.29 -1.95 113.55 113.01 3kk3 h SER 379 Ca 0.20 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3kk3 h SER 379 Cb -0.08 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3kk3 h SER 379 CO -0.04 0.51 0.02 0.40 -1.14 0.00 0.00 176.83 176.57 3kk3 h ILE 380 N 0.33 1.24 -0.06 3.27 2.04 -1.09 0.17 117.51 123.40 3kk3 h ILE 380 Ca 0.06 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 3kk3 h ILE 380 Cb 0.44 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3kk3 h ILE 380 CO 0.03 0.35 -0.11 0.58 0.00 0.00 0.00 178.15 179.00 3kk3 h VAL 381 N 0.76 1.41 0.01 1.67 2.07 -1.10 0.27 116.25 121.34 3kk3 h VAL 381 Ca 0.15 -1.38 -0.26 0.00 0.82 0.00 0.00 66.70 66.03 3kk3 h VAL 381 Cb 0.43 2.18 0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3kk3 h VAL 381 CO 0.02 0.38 -1.01 0.40 0.02 0.00 0.00 177.57 177.38 3kk3 h ILE 382 N -0.30 1.29 0.00 4.57 2.04 -1.40 -3.40 117.51 120.31 3kk3 h ILE 382 Ca 0.00 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.62 3kk3 h ILE 382 Cb 0.67 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3kk3 h ILE 382 CO 0.02 0.69 -0.73 0.79 0.00 0.00 0.00 178.15 178.92 3kk3 n TRP 383 N -3.89 0.00 -1.90 1.37 8.01 0.53 -4.47 117.44 117.08 3kk3 n TRP 383 Ca -0.11 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.05 3kk3 n TRP 383 Cb 0.87 -0.05 -0.00 0.00 -2.01 0.00 0.00 31.31 30.12 3kk3 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kk3 n GLY 384 N 1.78 0.30 3.85 6.99 0.00 0.96 -4.97 105.19 114.10 3kk3 n GLY 384 Ca -0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 3kk3 n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kk3 s LYS 385 N -3.85 1.76 -0.08 1.61 -2.85 -1.25 -4.94 119.74 110.13 3kk3 s LYS 385 Ca 0.00 -0.99 -0.02 0.00 -1.00 0.00 0.00 55.97 53.96 3kk3 s LYS 385 Cb 0.00 0.59 -0.03 0.00 -2.06 0.00 0.00 37.83 36.32 3kk3 s LYS 385 CO 0.00 -0.81 0.01 0.95 0.10 0.00 0.00 175.35 175.60 3kk3 s THR 386 N -3.72 4.36 0.74 3.79 -4.23 -1.26 -3.40 115.64 111.92 3kk3 s THR 386 Ca 0.12 -0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.26 3kk3 s THR 386 Cb -0.05 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 70.97 3kk3 s THR 386 CO 0.07 0.59 1.07 -2.16 -0.54 0.00 0.00 174.62 173.65 3kk3 s PRO 387 N -0.95 2.60 0.34 3.99 0.04 -1.26 -4.81 135.00 134.95 3kk3 s PRO 387 Ca 0.14 0.90 -0.26 0.00 0.04 0.00 0.00 61.00 61.82 3kk3 s PRO 387 Cb -0.11 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 3kk3 s PRO 387 CO 0.03 -1.32 1.03 0.15 0.04 0.00 0.00 177.00 176.92 3kk3 s LYS 388 N -5.05 4.43 0.08 4.56 1.02 0.13 -4.87 119.74 120.04 3kk3 s LYS 388 Ca 0.59 1.53 0.03 0.00 0.02 0.00 0.00 55.97 58.14 3kk3 s LYS 388 Cb -0.15 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 3kk3 s LYS 388 CO 0.55 0.09 0.09 -0.06 -0.92 0.00 0.00 175.35 175.10 3kk3 s PHE 389 N -1.50 3.20 -0.24 3.18 0.08 -1.17 -0.27 117.98 121.26 3kk3 s PHE 389 Ca 0.52 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.65 3kk3 s PHE 389 Cb -0.24 -1.62 0.06 0.00 -0.57 0.00 0.00 43.02 40.66 3kk3 s PHE 389 CO 0.30 0.52 -0.03 0.15 -0.10 0.00 0.00 175.22 176.06 3kk3 s LYS 390 N -2.44 1.44 0.01 0.44 -0.14 0.16 -1.97 119.74 117.25 3kk3 s LYS 390 Ca 0.30 -0.96 0.05 0.00 -1.36 0.00 0.00 55.97 53.99 3kk3 s LYS 390 Cb -0.12 -2.52 -0.03 0.00 -1.68 0.00 0.00 37.83 33.47 3kk3 s LYS 390 CO 0.22 -0.64 -0.13 -0.51 -0.76 0.00 0.00 175.35 173.53 3kk3 s LEU 391 N 1.44 2.85 0.00 3.17 1.02 -0.69 -3.06 118.68 123.41 3kk3 s LEU 391 Ca -0.04 -0.27 -0.03 0.00 0.02 0.00 0.00 54.13 53.81 3kk3 s LEU 391 Cb -0.19 -1.64 -0.14 0.00 0.02 0.00 0.00 46.19 44.24 3kk3 s LEU 391 CO -0.08 0.28 2.64 -0.81 0.02 0.00 0.00 176.35 178.40 3kk3 n PRO 392 N 1.70 1.40 -3.91 1.29 -0.04 -1.25 -0.36 135.00 133.82 3kk3 n PRO 392 Ca -0.16 -0.53 -0.12 0.00 -0.04 0.00 0.00 63.50 62.65 3kk3 n PRO 392 Cb 0.52 -1.60 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 3kk3 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3kk3 s ILE 393 N 0.89 0.05 -0.06 0.52 2.07 -1.26 -0.69 121.20 122.72 3kk3 s ILE 393 Ca 0.36 -0.10 -0.14 0.00 -1.41 0.00 0.00 60.65 59.36 3kk3 s ILE 393 Cb 0.17 -0.07 -0.05 0.00 0.13 0.00 0.00 42.46 42.64 3kk3 s ILE 393 CO 0.00 -0.03 0.35 0.00 -1.91 0.00 0.00 174.94 173.35 3kk3 s GLN 394 N -0.14 3.95 0.36 3.50 -2.07 -1.26 -4.60 119.66 119.40 3kk3 s GLN 394 Ca -0.01 0.28 0.20 0.00 -1.82 0.00 0.00 55.36 54.01 3kk3 s GLN 394 Cb -0.01 -3.27 1.30 0.00 -1.09 0.00 0.00 33.01 29.94 3kk3 s GLN 394 CO -0.00 0.57 1.56 1.63 -1.32 0.00 0.00 175.29 177.72 3kk3 n LYS 395 N 2.34 -0.06 -0.15 9.60 4.76 -1.26 0.11 118.16 133.50 3kk3 n LYS 395 Ca -0.14 1.36 -0.06 0.00 -2.87 0.00 0.00 58.31 56.60 3kk3 n LYS 395 Cb 0.53 -2.44 -0.05 0.00 -1.84 0.00 0.00 35.03 31.23 3kk3 n LYS 395 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3kk3 h GLU 396 N 0.00 -0.09 -0.61 1.97 3.07 -2.00 -1.65 114.58 115.27 3kk3 h GLU 396 Ca 0.83 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.71 3kk3 h GLU 396 Cb 2.17 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 30.06 3kk3 h GLU 396 CO -0.77 -0.06 0.39 1.15 -1.40 0.00 0.00 179.01 178.32 3kk3 h THR 397 N -0.09 1.11 -0.18 1.13 2.02 0.36 -1.14 112.91 116.12 3kk3 h THR 397 Ca 0.06 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.03 3kk3 h THR 397 Cb 0.25 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 66.87 3kk3 h THR 397 CO -0.40 0.14 -0.21 -0.25 0.37 0.00 0.00 175.52 175.17 3kk3 h TRP 398 N 0.78 -0.56 -0.17 3.16 2.91 -1.29 -2.29 115.95 118.49 3kk3 h TRP 398 Ca 0.24 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 60.19 3kk3 h TRP 398 Cb -0.03 0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 3kk3 h TRP 398 CO -0.04 -0.29 -0.32 0.93 -1.03 0.00 0.00 178.44 177.69 3kk3 h GLU 399 N -0.25 0.33 -0.98 2.65 5.08 -0.33 0.38 114.58 121.45 3kk3 h GLU 399 Ca 0.12 -0.13 0.14 0.00 -1.00 0.00 0.00 59.36 58.48 3kk3 h GLU 399 Cb 0.42 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 3kk3 h GLU 399 CO -0.32 0.62 0.62 1.15 -1.00 0.00 0.00 179.01 180.07 3kk3 h THR 400 N 0.29 0.86 0.11 1.13 2.02 -0.72 -2.55 112.91 114.05 3kk3 h THR 400 Ca 0.04 -0.31 -0.36 0.00 0.77 0.00 0.00 66.41 66.55 3kk3 h THR 400 Cb 0.71 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3kk3 h THR 400 CO 0.05 0.16 -2.02 1.87 0.37 0.00 0.00 175.52 175.95 3kk3 n TRP 401 N -4.63 1.14 0.11 3.16 -0.00 -0.22 -2.56 117.44 114.44 3kk3 n TRP 401 Ca 0.19 0.25 0.06 0.00 -0.00 0.00 0.00 57.50 58.00 3kk3 n TRP 401 Cb 0.42 -1.15 0.29 0.00 -0.00 0.00 0.00 31.31 30.87 3kk3 n TRP 401 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 177.69 175.02 3kk3 n TRP 402 N -3.44 0.36 -0.10 5.87 4.27 0.12 -1.13 117.44 123.39 3kk3 n TRP 402 Ca -0.32 0.18 -0.20 0.00 -3.89 0.00 0.00 57.50 53.27 3kk3 n TRP 402 Cb 1.04 -0.79 -0.10 0.00 -1.36 0.00 0.00 31.31 30.10 3kk3 n TRP 402 CO 0.00 0.00 0.00 1.15 -2.29 0.00 0.00 177.69 176.55 3kk3 h THR 403 N 0.00 0.81 0.00 -1.67 2.02 -1.43 -3.38 112.91 109.26 3kk3 h THR 403 Ca 0.00 -2.04 -0.05 0.00 0.77 0.00 0.00 66.41 65.08 3kk3 h THR 403 Cb 0.03 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3kk3 h THR 403 CO 0.00 0.28 -0.25 -0.33 0.37 0.00 0.00 175.52 175.58 3kk3 h GLU 404 N -1.00 0.00 -6.51 6.66 5.08 -1.20 -3.44 114.58 114.16 3kk3 h GLU 404 Ca -0.31 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.53 3kk3 h GLU 404 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 3kk3 h GLU 404 CO -0.19 0.25 0.24 -0.47 -1.00 0.00 0.00 179.01 177.84 3kk3 s TYR 405 N -3.19 3.86 -1.56 4.33 5.04 -0.28 -4.96 117.35 120.58 3kk3 s TYR 405 Ca 0.04 1.67 0.13 0.00 -2.44 0.00 0.00 57.07 56.48 3kk3 s TYR 405 Cb 0.07 -2.87 0.09 0.00 0.35 0.00 0.00 41.96 39.60 3kk3 s TYR 405 CO 0.69 0.39 0.89 -2.67 -1.34 0.00 0.00 175.55 173.51 3kk3 n TRP 406 N 2.08 0.00 -4.26 4.97 2.14 -1.26 -4.83 117.44 116.27 3kk3 n TRP 406 Ca -0.03 0.00 -0.34 0.00 2.07 0.00 0.00 57.50 59.20 3kk3 n TRP 406 Cb 0.49 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.88 3kk3 n TRP 406 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 3kk3 s GLN 407 N -1.16 3.77 0.19 -2.67 -1.52 -1.26 -5.07 119.66 111.93 3kk3 s GLN 407 Ca 0.15 -0.45 -0.31 0.00 -1.95 0.00 0.00 55.36 52.79 3kk3 s GLN 407 Cb 0.11 -3.02 -0.16 0.00 -0.22 0.00 0.00 33.01 29.72 3kk3 s GLN 407 CO 0.19 0.27 0.96 0.00 -0.25 0.00 0.00 175.29 176.46 3kk3 n ALA 408 N 3.49 -1.48 -3.06 6.09 0.00 -1.26 -4.98 120.51 119.31 3kk3 n ALA 408 Ca -0.17 0.46 -0.12 0.00 0.00 0.00 0.00 53.44 53.61 3kk3 n ALA 408 Cb 0.52 -1.90 -0.11 0.00 0.00 0.00 0.00 19.45 17.97 3kk3 n ALA 408 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3kk3 s THR 409 N -0.56 0.05 0.07 0.00 -1.32 -1.26 -5.18 115.64 107.44 3kk3 s THR 409 Ca 0.70 -0.39 -0.17 0.00 -1.21 0.00 0.00 61.69 60.62 3kk3 s THR 409 Cb -0.88 -0.32 0.03 0.00 -1.51 0.00 0.00 72.50 69.82 3kk3 s THR 409 CO 0.55 -0.22 0.39 0.86 -2.21 0.00 0.00 174.62 174.00 3kk3 s TRP 410 N -0.72 -0.21 -0.09 9.09 -0.00 -1.26 -5.01 118.94 120.74 3kk3 s TRP 410 Ca -0.08 0.06 -0.08 0.00 -0.00 0.00 0.00 56.10 55.99 3kk3 s TRP 410 Cb -0.05 0.21 0.02 0.00 -0.00 0.00 0.00 33.47 33.65 3kk3 s TRP 410 CO 0.01 -0.60 0.23 0.42 -0.00 0.00 0.00 176.95 177.01 3kk3 s ILE 411 N -2.96 -0.00 0.00 5.86 1.01 -1.26 -5.02 121.20 118.83 3kk3 s ILE 411 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.63 3kk3 s ILE 411 Cb 0.00 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.14 3kk3 s ILE 411 CO -0.06 0.00 0.00 -0.81 0.00 0.00 0.00 174.94 174.07 3kk3 n PRO 412 N 2.98 0.25 -0.59 2.79 -0.04 -1.26 -4.88 135.00 134.26 3kk3 n PRO 412 Ca -0.13 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.07 3kk3 n PRO 412 Cb 0.58 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.00 3kk3 n PRO 412 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kk3 n GLU 413 N -0.64 0.00 -3.67 0.54 1.02 -1.26 -4.93 120.64 111.70 3kk3 n GLU 413 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 3kk3 n GLU 413 Cb 0.00 -0.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.70 3kk3 n GLU 413 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 3kk3 s TRP 414 N 2.03 -0.76 0.13 -0.32 1.48 -1.26 -3.04 118.94 117.20 3kk3 s TRP 414 Ca 0.47 1.53 -0.24 0.00 -1.06 0.00 0.00 56.10 56.81 3kk3 s TRP 414 Cb -0.62 0.36 -0.07 0.00 -1.16 0.00 0.00 33.47 31.98 3kk3 s TRP 414 CO 0.30 -0.42 0.72 -2.00 -4.06 0.00 0.00 176.95 171.49 3kk3 s GLU 415 N 1.81 4.47 0.46 3.25 2.12 -0.83 -4.88 118.70 125.10 3kk3 s GLU 415 Ca -0.08 1.04 -0.25 0.00 0.36 0.00 0.00 54.97 56.05 3kk3 s GLU 415 Cb -0.09 -3.27 -0.08 0.00 0.26 0.00 0.00 34.13 30.96 3kk3 s GLU 415 CO -0.14 0.56 1.38 0.12 -0.54 0.00 0.00 175.26 176.64 3kk3 s PHE 416 N -1.02 2.51 -0.08 5.30 5.36 -1.26 -1.70 117.98 127.09 3kk3 s PHE 416 Ca 0.34 1.32 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 3kk3 s PHE 416 Cb -0.22 -3.82 0.02 0.00 -0.34 0.00 0.00 43.02 38.66 3kk3 s PHE 416 CO 0.24 -2.70 -0.06 0.08 -1.46 0.00 0.00 175.22 171.32 3kk3 s VAL 417 N -1.25 0.75 -0.88 3.12 1.01 0.51 -4.78 120.40 118.88 3kk3 s VAL 417 Ca 0.62 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 3kk3 s VAL 417 Cb -0.41 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 3kk3 s VAL 417 CO 0.52 0.30 2.82 -3.20 0.00 0.00 0.00 175.10 175.55 3kk3 n ASN 418 N 4.56 7.21 -4.07 3.32 5.15 -1.26 -3.83 115.26 126.34 3kk3 n ASN 418 Ca -0.16 -2.95 -0.43 0.00 -0.60 0.00 0.00 54.58 50.44 3kk3 n ASN 418 Cb 0.51 -1.37 0.01 0.00 -0.53 0.00 0.00 39.78 38.39 3kk3 n ASN 418 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3kk3 n THR 419 N 1.92 4.86 -1.59 -0.44 5.66 -1.26 -5.04 114.28 118.39 3kk3 n THR 419 Ca 0.58 -5.35 -0.36 0.00 -3.05 0.00 0.00 64.05 55.87 3kk3 n THR 419 Cb 0.45 -2.27 0.08 0.00 -1.55 0.00 0.00 70.33 67.04 3kk3 n THR 419 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3kk3 s PRO 420 N -1.34 2.33 0.46 1.09 0.04 -1.26 -4.59 135.00 131.73 3kk3 s PRO 420 Ca 0.34 2.00 -0.24 0.00 0.04 0.00 0.00 61.00 63.14 3kk3 s PRO 420 Cb 0.03 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 3kk3 s PRO 420 CO 0.04 -1.75 1.25 -1.25 0.04 0.00 0.00 177.00 175.33 3kk3 s PRO 421 N -3.56 3.67 0.24 0.56 0.04 -1.26 -5.06 135.00 129.63 3kk3 s PRO 421 Ca 0.80 2.00 -0.06 0.00 0.04 0.00 0.00 61.00 63.79 3kk3 s PRO 421 Cb -0.36 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.65 3kk3 s PRO 421 CO 0.42 -0.68 0.50 -0.51 0.04 0.00 0.00 177.00 176.77 3kk3 s LEU 422 N -2.96 4.14 -0.22 -3.56 1.43 -1.26 -4.65 118.68 111.61 3kk3 s LEU 422 Ca 0.63 0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 54.16 3kk3 s LEU 422 Cb -0.34 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.39 3kk3 s LEU 422 CO 0.42 -0.10 1.08 -0.69 0.23 0.00 0.00 176.35 177.29 3kk3 s VAL 423 N -1.91 4.61 0.12 -1.59 1.01 0.13 -5.02 120.40 117.76 3kk3 s VAL 423 Ca 0.44 1.94 0.08 0.00 0.00 0.00 0.00 61.98 64.44 3kk3 s VAL 423 Cb -0.11 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3kk3 s VAL 423 CO 0.26 -0.17 -0.18 -1.59 0.00 0.00 0.00 175.10 173.42 3kk3 s LYS 424 N 3.22 1.13 -0.22 2.72 -2.85 -1.26 -4.66 119.74 117.82 3kk3 s LYS 424 Ca 0.46 -1.24 -0.25 0.00 -1.00 0.00 0.00 55.97 53.94 3kk3 s LYS 424 Cb -0.16 -1.24 -0.00 0.00 -2.06 0.00 0.00 37.83 34.36 3kk3 s LYS 424 CO 0.08 0.27 0.86 -0.51 0.10 0.00 0.00 175.35 176.15 3kk3 s LEU 425 N -2.24 4.11 0.33 2.77 1.43 -1.26 -4.78 118.68 119.04 3kk3 s LEU 425 Ca 0.09 1.12 0.13 0.00 -1.03 0.00 0.00 54.13 54.45 3kk3 s LEU 425 Cb -0.08 -3.26 0.58 0.00 0.03 0.00 0.00 46.19 43.47 3kk3 s LEU 425 CO 0.05 -0.51 1.73 -0.50 0.23 0.00 0.00 176.35 177.34 3kk3 h TRP 426 N 7.56 0.00 -3.88 0.29 4.06 -1.94 -3.44 115.95 118.60 3kk3 h TRP 426 Ca -0.24 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.61 3kk3 h TRP 426 Cb 1.10 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 29.14 3kk3 h TRP 426 CO 0.74 0.47 -0.28 1.52 -3.56 0.00 0.00 178.44 177.33 3kk3 s TYR 427 N -3.86 0.47 -0.01 0.49 1.13 -1.26 -4.85 117.35 109.46 3kk3 s TYR 427 Ca -0.02 -0.81 0.02 0.00 -1.41 0.00 0.00 57.07 54.85 3kk3 s TYR 427 Cb 0.13 -0.03 -0.00 0.00 -1.10 0.00 0.00 41.96 40.96 3kk3 s TYR 427 CO 0.73 -0.80 -0.05 -1.14 -2.51 0.00 0.00 175.55 171.78 3kk3 s GLN 428 N -4.00 0.48 0.28 -3.49 0.74 -1.26 -5.06 119.66 107.35 3kk3 s GLN 428 Ca 0.21 -0.18 -0.25 0.00 0.05 0.00 0.00 55.36 55.19 3kk3 s GLN 428 Cb 0.02 -0.48 -0.09 0.00 1.10 0.00 0.00 33.01 33.56 3kk3 s GLN 428 CO 0.04 0.09 0.89 -0.51 -0.55 0.00 0.00 175.29 175.25 3kk3 s LEU 429 N 0.02 4.40 0.78 3.68 1.43 -1.26 -4.51 118.68 123.22 3kk3 s LEU 429 Ca 0.00 1.76 -0.11 0.00 -1.03 0.00 0.00 54.13 54.74 3kk3 s LEU 429 Cb -0.04 -3.82 0.06 0.00 0.03 0.00 0.00 46.19 42.43 3kk3 s LEU 429 CO -0.00 0.01 1.11 -1.61 0.23 0.00 0.00 176.35 176.08 3kk3 s GLU 430 N -1.84 2.12 -0.13 1.70 0.41 -0.32 -4.96 118.70 115.67 3kk3 s GLU 430 Ca 0.46 1.30 0.19 0.00 -0.41 0.00 0.00 54.97 56.52 3kk3 s GLU 430 Cb -0.20 -1.87 -0.28 0.00 -1.78 0.00 0.00 34.13 30.00 3kk3 s GLU 430 CO 0.25 -1.76 0.22 1.63 -0.49 0.00 0.00 175.26 175.10 3kk3 n LYS 431 N -3.43 0.71 -4.28 1.61 5.02 -1.26 -4.73 118.16 111.80 3kk3 n LYS 431 Ca 0.10 -0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 3kk3 n LYS 431 Cb 0.53 -1.51 -0.12 0.00 -0.02 0.00 0.00 35.03 33.90 3kk3 n LYS 431 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kk3 s GLU 432 N -2.86 1.11 0.73 1.97 0.41 -1.26 -5.09 118.70 113.70 3kk3 s GLU 432 Ca -0.09 -1.20 -0.16 0.00 -0.41 0.00 0.00 54.97 53.11 3kk3 s GLU 432 Cb 0.09 -1.25 0.02 0.00 -1.78 0.00 0.00 34.13 31.21 3kk3 s GLU 432 CO 0.84 0.28 1.07 -0.35 -0.49 0.00 0.00 175.26 176.61 3kk3 n PRO 433 N 0.87 0.55 -2.96 0.39 -0.04 -1.26 -4.91 135.00 127.64 3kk3 n PRO 433 Ca -0.18 0.25 -0.43 0.00 -0.04 0.00 0.00 63.50 63.10 3kk3 n PRO 433 Cb 0.55 -2.32 -0.05 0.00 -0.04 0.00 0.00 33.50 31.64 3kk3 n PRO 433 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kk3 s ILE 434 N -1.80 4.60 -0.03 0.52 1.01 -1.26 -4.99 121.20 119.26 3kk3 s ILE 434 Ca 0.75 0.09 -0.38 0.00 0.00 0.00 0.00 60.65 61.11 3kk3 s ILE 434 Cb -0.34 -4.41 -0.17 0.00 0.01 0.00 0.00 42.46 37.55 3kk3 s ILE 434 CO 0.49 -0.92 1.40 0.52 0.00 0.00 0.00 174.94 176.42 3kk3 n VAL 435 N 6.01 0.06 -0.81 2.92 0.31 -1.26 -2.36 118.33 123.20 3kk3 n VAL 435 Ca -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3kk3 n VAL 435 Cb 0.47 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 3kk3 n VAL 435 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kk3 n GLY 436 N 2.79 0.57 3.89 2.92 0.00 -1.26 -4.99 105.19 109.11 3kk3 n GLY 436 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3kk3 n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk3 s ALA 437 N -2.69 3.31 0.30 4.61 0.00 -0.99 -5.01 121.76 121.28 3kk3 s ALA 437 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.33 3kk3 s ALA 437 Cb 0.00 -2.74 -0.10 0.00 0.00 0.00 0.00 23.12 20.28 3kk3 s ALA 437 CO 0.00 -0.38 1.35 -2.00 0.00 0.00 0.00 175.76 174.73 3kk3 s GLU 438 N -4.70 4.32 -0.31 0.00 2.12 -1.26 -4.74 118.70 114.14 3kk3 s GLU 438 Ca 0.50 2.24 -0.05 0.00 0.36 0.00 0.00 54.97 58.03 3kk3 s GLU 438 Cb -0.10 -3.09 0.03 0.00 0.26 0.00 0.00 34.13 31.23 3kk3 s GLU 438 CO 0.45 -0.27 0.06 0.99 -0.54 0.00 0.00 175.26 175.95 3kk3 s THR 439 N -0.73 3.57 -0.34 -1.70 2.01 -1.26 -1.06 115.64 116.13 3kk3 s THR 439 Ca 0.53 -1.09 -0.17 0.00 0.31 0.00 0.00 61.69 61.26 3kk3 s THR 439 Cb -0.40 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 3kk3 s THR 439 CO 0.50 -0.08 0.48 -0.36 -0.69 0.00 0.00 174.62 174.46 3kk3 s PHE 440 N 1.38 3.19 -0.50 4.92 0.40 0.17 -2.71 117.98 124.84 3kk3 s PHE 440 Ca -0.02 0.19 -0.24 0.00 -0.60 0.00 0.00 56.93 56.27 3kk3 s PHE 440 Cb -0.19 -2.85 0.03 0.00 0.51 0.00 0.00 43.02 40.53 3kk3 s PHE 440 CO 0.01 -0.48 0.90 0.71 0.70 0.00 0.00 175.22 177.06 3kk3 s TYR 441 N 2.31 2.88 0.10 0.36 1.51 -0.04 -0.36 117.35 124.10 3kk3 s TYR 441 Ca 0.17 0.14 0.03 0.00 -1.01 0.00 0.00 57.07 56.41 3kk3 s TYR 441 Cb -0.16 -3.94 -0.04 0.00 -0.11 0.00 0.00 41.96 37.71 3kk3 s TYR 441 CO 0.12 -1.19 0.09 0.14 -1.11 0.00 0.00 175.55 173.61 3kk3 s VAL 442 N 3.72 4.51 0.23 0.71 -7.23 -0.70 -0.87 120.40 120.76 3kk3 s VAL 442 Ca 0.32 -0.84 -0.19 0.00 -1.81 0.00 0.00 61.98 59.46 3kk3 s VAL 442 Cb -0.12 -3.20 0.03 0.00 0.56 0.00 0.00 36.38 33.65 3kk3 s VAL 442 CO 0.22 0.08 0.61 -0.62 -0.31 0.00 0.00 175.10 175.08 3kk3 s ASP 443 N -2.54 -0.29 0.23 4.85 3.68 -0.83 -4.45 116.67 117.32 3kk3 s ASP 443 Ca 0.30 -0.50 0.00 0.00 2.13 0.00 0.00 52.55 54.48 3kk3 s ASP 443 Cb -0.12 0.64 -0.04 0.00 -1.45 0.00 0.00 42.92 41.95 3kk3 s ASP 443 CO 0.22 -1.17 0.13 -0.83 0.13 0.00 0.00 175.17 173.66 3kk3 s GLY 444 N -2.89 1.61 -0.29 2.66 0.00 -1.26 -1.69 107.32 105.46 3kk3 s GLY 444 Ca 0.10 -1.77 -0.13 0.00 0.00 0.00 0.00 44.72 42.92 3kk3 s GLY 444 CO 0.01 -1.47 0.74 0.00 0.00 0.00 0.00 173.10 172.38 3kk3 s ALA 445 N -3.98 -2.11 0.54 3.20 0.00 0.34 -4.66 121.76 115.10 3kk3 s ALA 445 Ca 0.39 2.32 0.06 0.00 0.00 0.00 0.00 51.96 54.73 3kk3 s ALA 445 Cb 0.07 -1.70 0.04 0.00 0.00 0.00 0.00 23.12 21.53 3kk3 s ALA 445 CO 0.14 -0.70 0.47 0.00 0.00 0.00 0.00 175.76 175.67 3kk3 s ALA 446 N 2.27 4.44 -0.39 0.00 0.00 -1.26 0.12 121.76 126.94 3kk3 s ALA 446 Ca -0.07 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.40 3kk3 s ALA 446 Cb -0.08 -0.89 0.14 0.00 0.00 0.00 0.00 23.12 22.28 3kk3 s ALA 446 CO -0.19 -0.50 0.22 1.21 0.00 0.00 0.00 175.76 176.50 3kk3 s ASN 447 N -4.34 3.26 0.60 0.00 3.84 -0.45 -4.91 114.94 112.94 3kk3 s ASN 447 Ca 0.41 -2.37 0.28 0.00 0.21 0.00 0.00 52.86 51.39 3kk3 s ASN 447 Cb -0.03 -0.67 1.05 0.00 -0.55 0.00 0.00 41.25 41.06 3kk3 s ASN 447 CO 0.25 -0.29 1.42 0.03 -2.79 0.00 0.00 177.10 175.72 3kk3 h ARG 448 N 6.90 0.00 0.02 0.43 2.47 -1.95 0.18 114.38 122.42 3kk3 h ARG 448 Ca 0.03 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3kk3 h ARG 448 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 3kk3 h ARG 448 CO 0.36 0.00 -0.01 1.49 0.56 0.00 0.00 179.97 182.37 3kk3 h GLU 449 N 0.00 -0.02 -0.00 0.04 4.57 -1.95 -3.38 114.58 113.84 3kk3 h GLU 449 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 3kk3 h GLU 449 Cb 2.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.25 3kk3 h GLU 449 CO -0.00 -0.01 -0.16 0.25 -1.18 0.00 0.00 179.01 177.90 3kk3 n THR 450 N -2.23 0.00 -0.89 0.32 -2.24 -0.42 -4.88 114.28 103.93 3kk3 n THR 450 Ca -0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3kk3 n THR 450 Cb 0.01 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 3kk3 n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kk3 n LYS 451 N -1.28 -0.83 -2.97 -0.78 4.76 0.50 -4.65 118.16 112.90 3kk3 n LYS 451 Ca 0.10 0.21 -0.40 0.00 -2.87 0.00 0.00 58.31 55.35 3kk3 n LYS 451 Cb 0.31 -4.09 -0.05 0.00 -1.84 0.00 0.00 35.03 29.36 3kk3 n LYS 451 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kk3 s LEU 452 N 0.00 4.50 0.27 -0.35 1.02 -1.26 -0.15 118.68 122.71 3kk3 s LEU 452 Ca 0.00 1.53 0.02 0.00 0.02 0.00 0.00 54.13 55.70 3kk3 s LEU 452 Cb 0.00 -3.27 -0.04 0.00 0.02 0.00 0.00 46.19 42.90 3kk3 s LEU 452 CO 0.00 0.08 0.14 -0.83 0.02 0.00 0.00 176.35 175.76 3kk3 s GLY 453 N -0.44 1.83 0.02 -3.19 0.00 -0.62 -1.34 107.32 103.58 3kk3 s GLY 453 Ca 0.38 -1.79 0.04 0.00 0.00 0.00 0.00 44.72 43.35 3kk3 s GLY 453 CO 0.24 -1.54 -0.13 0.54 0.00 0.00 0.00 173.10 172.21 3kk3 s LYS 454 N -3.95 0.95 0.04 2.90 1.02 0.32 -1.15 119.74 119.87 3kk3 s LYS 454 Ca 0.37 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.76 3kk3 s LYS 454 Cb 0.06 -0.94 -0.02 0.00 -0.52 0.00 0.00 37.83 36.41 3kk3 s LYS 454 CO 0.16 0.24 -0.09 0.00 -0.92 0.00 0.00 175.35 174.74 3kk3 s ALA 455 N -0.64 0.69 0.00 5.17 0.00 -0.20 0.13 121.76 126.91 3kk3 s ALA 455 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.28 3kk3 s ALA 455 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3kk3 s ALA 455 CO 0.01 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.23 3kk3 n GLY 456 N 1.77 -1.29 3.40 0.00 0.00 -0.68 -0.18 105.19 108.20 3kk3 n GLY 456 Ca -0.20 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 3kk3 n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kk3 s TYR 457 N -2.31 0.84 -0.08 1.61 -0.85 0.17 -1.96 117.35 114.77 3kk3 s TYR 457 Ca 0.00 -1.11 -0.06 0.00 -0.52 0.00 0.00 57.07 55.39 3kk3 s TYR 457 Cb 0.00 -0.19 0.03 0.00 0.38 0.00 0.00 41.96 42.17 3kk3 s TYR 457 CO 0.00 -0.86 0.19 0.54 -1.52 0.00 0.00 175.55 173.90 3kk3 s VAL 458 N -3.93 -0.02 0.16 -3.49 0.11 -0.05 -2.44 120.40 110.75 3kk3 s VAL 458 Ca 0.31 0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.47 3kk3 s VAL 458 Cb 0.03 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 3kk3 s VAL 458 CO 0.12 0.02 -0.11 0.42 -3.33 0.00 0.00 175.10 172.23 3kk3 s THR 459 N 0.52 1.30 0.37 5.04 -4.23 -0.63 -0.86 115.64 117.15 3kk3 s THR 459 Ca -0.03 -2.10 0.09 0.00 -1.18 0.00 0.00 61.69 58.47 3kk3 s THR 459 Cb -0.05 -1.92 0.15 0.00 1.34 0.00 0.00 72.50 72.02 3kk3 s THR 459 CO -0.03 -0.69 1.89 -0.55 -0.54 0.00 0.00 174.62 174.70 3kk3 h ASN 460 N 2.71 0.26 0.79 3.99 -1.07 -1.84 -1.68 115.58 118.74 3kk3 h ASN 460 Ca -0.37 -0.06 0.00 0.00 0.07 0.00 0.00 56.30 55.94 3kk3 h ASN 460 Cb 1.20 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.38 3kk3 h ASN 460 CO 0.63 0.43 0.00 0.54 0.07 0.00 0.00 177.43 179.10 3kk3 n ARG 461 N -4.25 0.09 0.00 4.14 1.74 -1.26 -4.90 116.66 112.22 3kk3 n ARG 461 Ca -0.01 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3kk3 n ARG 461 Cb 0.28 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3kk3 n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kk3 n GLY 462 N 1.11 1.13 3.94 -0.13 0.00 -0.63 -5.11 105.19 105.49 3kk3 n GLY 462 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 3kk3 n GLY 462 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kk3 s ARG 463 N -0.11 3.46 -0.07 1.61 1.70 -1.26 -4.84 118.95 119.44 3kk3 s ARG 463 Ca 0.00 -0.53 -0.13 0.00 -0.47 0.00 0.00 55.73 54.60 3kk3 s ARG 463 Cb 0.00 -2.94 0.03 0.00 -0.57 0.00 0.00 34.95 31.47 3kk3 s ARG 463 CO 0.00 0.50 0.32 1.14 -1.08 0.00 0.00 175.30 176.18 3kk3 s GLN 464 N -3.22 0.52 0.07 3.89 -2.07 -1.26 -1.60 119.66 115.99 3kk3 s GLN 464 Ca 0.35 0.15 0.09 0.00 -1.82 0.00 0.00 55.36 54.13 3kk3 s GLN 464 Cb -0.11 0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 32.02 3kk3 s GLN 464 CO 0.29 -0.11 -0.24 0.21 -1.32 0.00 0.00 175.29 174.12 3kk3 s LYS 465 N -0.55 1.48 -0.04 9.60 2.20 -1.02 -4.96 119.74 126.44 3kk3 s LYS 465 Ca -0.07 -1.10 0.02 0.00 -0.36 0.00 0.00 55.97 54.47 3kk3 s LYS 465 Cb -0.04 -1.70 0.01 0.00 -1.51 0.00 0.00 37.83 34.59 3kk3 s LYS 465 CO 0.02 0.43 -0.09 0.08 -0.36 0.00 0.00 175.35 175.42 3kk3 s VAL 466 N -0.90 0.87 0.01 4.02 1.01 -1.26 -0.66 120.40 123.49 3kk3 s VAL 466 Ca 0.10 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.75 3kk3 s VAL 466 Cb -0.10 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 3kk3 s VAL 466 CO 0.03 0.28 -0.12 -0.69 0.00 0.00 0.00 175.10 174.61 3kk3 s VAL 467 N 0.48 0.92 -0.14 2.92 1.01 0.74 -4.99 120.40 121.34 3kk3 s VAL 467 Ca -0.09 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3kk3 s VAL 467 Cb -0.12 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3kk3 s VAL 467 CO 0.01 0.11 -0.00 0.42 0.00 0.00 0.00 175.10 175.65 3kk3 s THR 468 N -0.54 4.25 -0.17 3.92 -4.23 -1.26 -1.04 115.64 116.56 3kk3 s THR 468 Ca 0.02 -0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 60.28 3kk3 s THR 468 Cb -0.06 -2.85 -0.00 0.00 1.34 0.00 0.00 72.50 70.93 3kk3 s THR 468 CO 0.00 0.52 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.73 3kk3 s LEU 469 N -0.02 2.65 0.56 4.79 2.01 -0.30 -5.00 118.68 123.36 3kk3 s LEU 469 Ca 0.03 -0.42 -0.18 0.00 0.01 0.00 0.00 54.13 53.57 3kk3 s LEU 469 Cb -0.13 -1.63 -0.05 0.00 0.01 0.00 0.00 46.19 44.39 3kk3 s LEU 469 CO 0.02 0.06 1.07 -0.89 1.01 0.00 0.00 176.35 177.62 3kk3 s THR 470 N 0.97 3.67 -1.48 5.49 2.01 -1.26 -1.58 115.64 123.45 3kk3 s THR 470 Ca -0.02 0.90 -0.04 0.00 0.31 0.00 0.00 61.69 62.84 3kk3 s THR 470 Cb -0.15 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.00 3kk3 s THR 470 CO -0.01 -0.36 0.16 0.47 -0.69 0.00 0.00 174.62 174.19 3kk3 n ASP 471 N -1.62 0.11 -0.80 3.53 8.00 -1.11 -4.91 116.55 119.76 3kk3 n ASP 471 Ca 0.09 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3kk3 n ASP 471 Cb 0.52 -1.91 0.00 0.00 -0.02 0.00 0.00 41.12 39.71 3kk3 n ASP 471 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3kk3 n THR 472 N -4.59 0.00 -4.06 -3.53 5.66 0.79 -5.03 114.28 103.52 3kk3 n THR 472 Ca -0.30 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.58 3kk3 n THR 472 Cb 0.68 -0.01 -0.05 0.00 -1.55 0.00 0.00 70.33 69.41 3kk3 n THR 472 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3kk3 s THR 473 N 0.21 0.00 0.18 1.09 -4.23 -1.26 -4.67 115.64 106.96 3kk3 s THR 473 Ca 0.00 -1.55 -0.12 0.00 -1.18 0.00 0.00 61.69 58.84 3kk3 s THR 473 Cb 0.00 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 71.44 3kk3 s THR 473 CO 0.00 0.00 1.80 0.78 -0.54 0.00 0.00 174.62 176.66 3kk3 h ASN 474 N 2.20 0.77 1.37 3.99 2.35 -1.93 -0.34 115.58 123.99 3kk3 h ASN 474 Ca -0.28 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.36 3kk3 h ASN 474 Cb 1.24 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.42 3kk3 h ASN 474 CO 0.39 0.64 -0.08 1.56 -1.65 0.00 0.00 177.43 178.29 3kk3 h GLN 475 N 0.84 0.00 0.00 0.81 7.50 -1.98 0.43 115.11 122.71 3kk3 h GLN 475 Ca 0.22 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 59.13 3kk3 h GLN 475 Cb 0.04 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.53 3kk3 h GLN 475 CO -0.04 0.08 -1.32 0.87 -1.50 0.00 0.00 178.83 176.92 3kk3 h LYS 476 N 0.00 0.00 -0.00 1.46 1.57 -1.89 -2.73 116.57 114.98 3kk3 h LYS 476 Ca -0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 3kk3 h LYS 476 Cb 0.78 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.11 3kk3 h LYS 476 CO 0.01 0.68 -1.03 1.79 -0.57 0.00 0.00 179.45 180.34 3kk3 h THR 477 N 0.00 1.28 -0.42 -0.16 1.35 -0.73 0.19 112.91 114.43 3kk3 h THR 477 Ca -0.15 -2.23 0.09 0.00 -0.55 0.00 0.00 66.41 63.57 3kk3 h THR 477 Cb 1.84 2.38 -0.09 0.00 -1.73 0.00 0.00 68.15 70.56 3kk3 h THR 477 CO 0.10 0.69 -0.18 -0.33 -0.25 0.00 0.00 175.52 175.55 3kk3 h GLU 478 N 0.38 -0.09 0.00 4.72 4.39 -1.05 -0.46 114.58 122.48 3kk3 h GLU 478 Ca -0.13 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 3kk3 h GLU 478 Cb 1.68 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.35 3kk3 h GLU 478 CO 0.20 -0.06 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.76 3kk3 h LEU 479 N -0.09 0.00 -0.12 1.33 3.38 -1.28 -2.78 115.31 115.75 3kk3 h LEU 479 Ca 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 3kk3 h LEU 479 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3kk3 h LEU 479 CO -0.48 0.16 -0.29 1.56 0.09 0.00 0.00 178.44 179.49 3kk3 h GLN 480 N 0.00 0.40 -0.49 1.13 1.08 -0.01 -2.95 115.11 114.26 3kk3 h GLN 480 Ca -0.00 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 56.91 3kk3 h GLN 480 Cb 0.61 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 3kk3 h GLN 480 CO 0.02 0.88 0.24 0.00 -0.95 0.00 0.00 178.83 179.02 3kk3 h ALA 481 N 0.51 1.49 0.00 3.87 0.00 -0.84 0.17 119.26 124.46 3kk3 h ALA 481 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kk3 h ALA 481 Cb 0.89 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kk3 h ALA 481 CO 0.06 0.41 -0.08 0.82 0.00 0.00 0.00 179.25 180.46 3kk3 h ILE 482 N 0.69 0.16 0.09 0.00 2.04 -1.51 -1.31 117.51 117.67 3kk3 h ILE 482 Ca 0.17 -0.96 -0.29 0.00 1.00 0.00 0.00 64.86 64.79 3kk3 h ILE 482 Cb 0.08 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3kk3 h ILE 482 CO -0.02 0.08 -1.52 0.22 0.00 0.00 0.00 178.15 176.91 3kk3 h TYR 483 N 0.00 0.36 -0.59 1.37 3.20 -1.06 -2.76 116.97 117.48 3kk3 h TYR 483 Ca -0.00 -0.26 0.06 0.00 3.14 0.00 0.00 58.73 61.67 3kk3 h TYR 483 Cb 0.82 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.99 3kk3 h TYR 483 CO 0.00 1.60 -0.56 1.25 -1.64 0.00 0.00 178.16 178.81 3kk3 h LEU 484 N -0.36 -1.93 -1.05 2.82 5.85 -0.74 0.34 115.31 120.25 3kk3 h LEU 484 Ca -0.34 0.27 0.12 0.00 0.84 0.00 0.00 57.88 58.77 3kk3 h LEU 484 Cb 1.73 0.81 -0.08 0.00 0.37 0.00 0.00 40.66 43.49 3kk3 h LEU 484 CO 0.01 -0.34 0.63 0.00 -0.34 0.00 0.00 178.44 178.40 3kk3 h ALA 485 N 0.10 1.56 -0.20 1.25 0.00 -1.36 -2.06 119.26 118.55 3kk3 h ALA 485 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kk3 h ALA 485 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kk3 h ALA 485 CO -0.69 0.20 0.05 -0.07 0.00 0.00 0.00 179.25 178.73 3kk3 h LEU 486 N 0.97 0.31 -1.12 0.00 3.38 -1.01 -2.19 115.31 115.65 3kk3 h LEU 486 Ca 0.49 -0.23 0.18 0.00 0.09 0.00 0.00 57.88 58.40 3kk3 h LEU 486 Cb 0.50 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 3kk3 h LEU 486 CO -0.25 0.46 0.61 1.56 0.09 0.00 0.00 178.44 180.91 3kk3 h GLN 487 N 0.14 0.71 -0.02 1.13 4.20 0.29 -3.03 115.11 118.52 3kk3 h GLN 487 Ca 0.06 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3kk3 h GLN 487 Cb 0.27 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3kk3 h GLN 487 CO 0.00 0.47 -0.20 -0.25 -0.67 0.00 0.00 178.83 178.18 3kk3 n ASP 488 N -4.68 2.58 -4.89 1.46 9.92 -0.84 -4.93 116.55 115.17 3kk3 n ASP 488 Ca 0.22 -1.79 -0.31 0.00 -0.53 0.00 0.00 54.79 52.37 3kk3 n ASP 488 Cb 0.56 0.20 -0.05 0.00 -0.64 0.00 0.00 41.12 41.19 3kk3 n ASP 488 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3kk3 s SER 489 N -2.20 6.52 0.00 -2.24 1.04 -0.84 -5.07 113.70 110.90 3kk3 s SER 489 Ca 0.24 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.36 3kk3 s SER 489 Cb 0.19 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 64.18 3kk3 s SER 489 CO 0.42 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.24 3kk3 n GLY 490 N -0.10 -3.07 0.01 7.32 0.00 -1.26 -4.85 105.19 103.24 3kk3 n GLY 490 Ca -0.02 -1.16 0.16 0.00 0.00 0.00 0.00 46.02 45.00 3kk3 n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kk3 n LEU 491 N 0.00 0.04 -3.73 0.99 4.32 -1.26 -4.61 117.00 112.75 3kk3 n LEU 491 Ca 0.00 0.07 -0.15 0.00 -0.02 0.00 0.00 56.01 55.92 3kk3 n LEU 491 Cb 0.00 -0.09 -0.15 0.00 -1.62 0.00 0.00 43.42 41.56 3kk3 n LEU 491 CO 0.00 0.01 -0.26 -1.61 -1.22 0.00 0.00 177.39 174.31 3kk3 s GLU 492 N -2.18 0.04 0.04 3.23 2.02 -1.26 -0.53 118.70 120.07 3kk3 s GLU 492 Ca 0.42 0.38 -0.03 0.00 0.02 0.00 0.00 54.97 55.76 3kk3 s GLU 492 Cb 0.21 -0.24 -0.02 0.00 0.10 0.00 0.00 34.13 34.19 3kk3 s GLU 492 CO 0.40 -0.21 0.03 0.54 0.02 0.00 0.00 175.26 176.04 3kk3 s VAL 493 N 1.47 0.15 -0.07 2.63 0.11 -1.10 -4.08 120.40 119.51 3kk3 s VAL 493 Ca -0.06 -1.26 0.05 0.00 -2.93 0.00 0.00 61.98 57.79 3kk3 s VAL 493 Cb -0.12 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 3kk3 s VAL 493 CO -0.05 -0.69 -0.23 0.20 -3.33 0.00 0.00 175.10 171.00 3kk3 s ASN 494 N -2.20 3.26 -0.12 3.54 0.01 -0.22 -1.86 114.94 117.35 3kk3 s ASN 494 Ca -0.04 -0.47 0.02 0.00 -0.71 0.00 0.00 52.86 51.65 3kk3 s ASN 494 Cb -0.01 -1.02 0.01 0.00 0.41 0.00 0.00 41.25 40.65 3kk3 s ASN 494 CO -0.05 0.23 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.97 3kk3 s ILE 495 N -0.07 1.65 -0.25 0.60 1.01 0.58 0.42 121.20 125.14 3kk3 s ILE 495 Ca -0.06 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 3kk3 s ILE 495 Cb -0.14 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 3kk3 s ILE 495 CO 0.05 0.47 0.03 -0.69 0.00 0.00 0.00 174.94 174.80 3kk3 s VAL 496 N 0.97 3.83 0.16 2.92 1.01 0.51 -0.79 120.40 129.01 3kk3 s VAL 496 Ca -0.06 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.52 3kk3 s VAL 496 Cb -0.15 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3kk3 s VAL 496 CO -0.02 0.28 -0.18 0.28 0.00 0.00 0.00 175.10 175.46 3kk3 s THR 497 N 1.52 1.80 -2.03 3.92 -1.32 -0.51 -1.73 115.64 117.29 3kk3 s THR 497 Ca 0.05 -1.92 0.21 0.00 -1.21 0.00 0.00 61.69 58.81 3kk3 s THR 497 Cb -0.16 -1.84 0.46 0.00 -1.51 0.00 0.00 72.50 69.46 3kk3 s THR 497 CO 0.01 -0.33 1.39 -0.90 -2.21 0.00 0.00 174.62 172.58 3kk3 n ASP 498 N 0.27 3.48 -4.51 8.08 3.85 -1.26 -1.10 116.55 125.35 3kk3 n ASP 498 Ca -0.13 -1.97 -0.42 0.00 -0.71 0.00 0.00 54.79 51.56 3kk3 n ASP 498 Cb 0.57 -0.31 -0.08 0.00 -1.35 0.00 0.00 41.12 39.95 3kk3 n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3kk3 s SER 499 N -1.23 6.25 0.45 -1.12 0.15 -1.26 -4.40 113.70 112.54 3kk3 s SER 499 Ca 0.39 -0.41 0.23 0.00 0.70 0.00 0.00 55.95 56.86 3kk3 s SER 499 Cb 0.21 -2.26 1.01 0.00 -1.71 0.00 0.00 66.02 63.28 3kk3 s SER 499 CO 0.29 -0.59 1.88 -0.61 1.20 0.00 0.00 173.24 175.41 3kk3 h GLN 500 N 8.69 0.00 0.05 5.44 4.15 -1.94 -1.08 115.11 130.42 3kk3 h GLN 500 Ca -0.27 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 3kk3 h GLN 500 Cb 1.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.80 3kk3 h GLN 500 CO 0.81 0.24 -0.03 -0.92 -1.93 0.00 0.00 178.83 177.00 3kk3 h TYR 501 N 0.00 -0.07 -0.44 3.99 3.20 -1.99 -1.90 116.97 119.76 3kk3 h TYR 501 Ca -0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3kk3 h TYR 501 Cb 0.65 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 3kk3 h TYR 501 CO 0.00 0.55 0.20 0.00 -1.64 0.00 0.00 178.16 177.27 3kk3 h ALA 502 N -0.11 0.55 -0.80 1.82 0.00 -1.90 -1.08 119.26 117.73 3kk3 h ALA 502 Ca -0.01 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.05 3kk3 h ALA 502 Cb 0.65 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3kk3 h ALA 502 CO 0.01 -0.17 0.52 1.25 0.00 0.00 0.00 179.25 180.86 3kk3 h LEU 503 N 0.40 0.62 -0.04 0.00 5.85 -1.25 -2.70 115.31 118.19 3kk3 h LEU 503 Ca 0.20 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3kk3 h LEU 503 Cb 0.14 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3kk3 h LEU 503 CO -0.17 0.35 -0.05 1.23 -0.34 0.00 0.00 178.44 179.46 3kk3 h GLY 504 N 0.68 0.11 0.80 3.75 0.00 -0.36 -2.03 103.07 106.02 3kk3 h GLY 504 Ca 0.38 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.59 3kk3 h GLY 504 CO -0.15 0.11 -0.14 -2.22 0.00 0.00 0.00 176.54 174.14 3kk3 h ILE 505 N -0.40 0.69 0.01 2.60 2.04 -1.31 -3.15 117.51 117.98 3kk3 h ILE 505 Ca 0.00 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.67 3kk3 h ILE 505 Cb 0.60 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3kk3 h ILE 505 CO 0.01 0.00 -0.89 0.40 0.00 0.00 0.00 178.15 177.67 3kk3 h ILE 506 N -0.29 1.54 0.00 -0.67 2.04 -1.52 -2.68 117.51 115.92 3kk3 h ILE 506 Ca 0.01 -2.76 0.00 0.00 1.00 0.00 0.00 64.86 63.11 3kk3 h ILE 506 Cb 0.29 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3kk3 h ILE 506 CO -0.05 0.80 0.00 -0.61 0.00 0.00 0.00 178.15 178.29 3kk3 h GLN 507 N 0.07 0.00 -0.01 2.37 -0.00 -1.40 -0.42 115.11 115.72 3kk3 h GLN 507 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 3kk3 h GLN 507 Cb 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.02 3kk3 h GLN 507 CO 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 178.83 178.91 3kk3 n ALA 508 N -2.07 2.69 -3.35 3.38 0.00 -1.01 -4.89 120.51 115.25 3kk3 n ALA 508 Ca -0.01 -0.34 -0.19 0.00 0.00 0.00 0.00 53.44 52.90 3kk3 n ALA 508 Cb 0.19 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.41 3kk3 n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kk3 n GLN 509 N -0.44 -1.98 -1.75 0.00 6.02 -0.17 -4.93 117.38 114.13 3kk3 n GLN 509 Ca 0.19 0.78 -0.38 0.00 -0.01 0.00 0.00 57.00 57.57 3kk3 n GLN 509 Cb 0.28 -5.41 0.05 0.00 1.02 0.00 0.00 30.24 26.18 3kk3 n GLN 509 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3kk3 s PRO 510 N -4.76 2.92 -0.04 -1.09 0.02 -1.26 -4.68 135.00 126.11 3kk3 s PRO 510 Ca 0.46 2.20 0.05 0.00 0.02 0.00 0.00 61.00 63.73 3kk3 s PRO 510 Cb -0.09 -2.11 0.08 0.00 0.02 0.00 0.00 34.50 32.40 3kk3 s PRO 510 CO 0.77 -1.35 0.99 -0.40 -0.33 0.00 0.00 177.00 176.68 3kk3 n ASP 511 N -1.34 1.79 -3.53 2.53 3.85 -0.40 -4.94 116.55 114.51 3kk3 n ASP 511 Ca 0.12 -2.21 -0.01 0.00 -0.71 0.00 0.00 54.79 51.98 3kk3 n ASP 511 Cb 0.46 -0.13 -0.05 0.00 -1.35 0.00 0.00 41.12 40.05 3kk3 n ASP 511 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 3kk3 s GLN 512 N -1.39 0.43 0.01 0.11 0.74 -0.57 -4.97 119.66 114.02 3kk3 s GLN 512 Ca 0.09 0.98 0.00 0.00 0.05 0.00 0.00 55.36 56.49 3kk3 s GLN 512 Cb 0.08 0.49 -0.01 0.00 1.10 0.00 0.00 33.01 34.67 3kk3 s GLN 512 CO 0.01 -0.13 -0.02 0.45 -0.55 0.00 0.00 175.29 175.04 3kk3 s SER 513 N 2.34 0.24 0.00 6.67 0.15 -1.26 -0.86 113.70 120.98 3kk3 s SER 513 Ca -0.05 -0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.40 3kk3 s SER 513 Cb -0.07 0.03 0.27 0.00 -1.71 0.00 0.00 66.02 64.54 3kk3 s SER 513 CO -0.18 -0.12 1.01 -1.84 1.20 0.00 0.00 173.24 173.31 3kk3 n GLU 514 N 2.37 0.07 -3.54 5.44 0.28 -0.10 -4.59 120.64 120.56 3kk3 n GLU 514 Ca -0.18 0.24 -0.38 0.00 -0.16 0.00 0.00 57.16 56.68 3kk3 n GLU 514 Cb 0.57 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.84 3kk3 n GLU 514 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3kk3 s SER 515 N -2.58 6.10 0.29 -1.84 0.15 -1.26 -4.97 113.70 109.59 3kk3 s SER 515 Ca 0.05 0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.77 3kk3 s SER 515 Cb 0.04 -2.14 0.42 0.00 -1.71 0.00 0.00 66.02 62.62 3kk3 s SER 515 CO 0.08 -0.07 1.94 -0.08 1.20 0.00 0.00 173.24 176.32 3kk3 h GLU 516 N 8.17 1.12 -0.20 5.44 4.57 -1.99 -0.95 114.58 130.76 3kk3 h GLU 516 Ca -0.35 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3kk3 h GLU 516 Cb 1.18 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 3kk3 h GLU 516 CO 0.59 0.74 0.11 1.25 -1.18 0.00 0.00 179.01 180.53 3kk3 h LEU 517 N 1.16 0.24 -1.51 1.64 5.85 -1.95 0.56 115.31 121.29 3kk3 h LEU 517 Ca 0.34 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 3kk3 h LEU 517 Cb -0.05 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3kk3 h LEU 517 CO -0.09 0.24 -0.04 0.58 -0.34 0.00 0.00 178.44 178.79 3kk3 h VAL 518 N 0.22 0.10 0.19 1.05 2.07 -1.82 0.16 116.25 118.22 3kk3 h VAL 518 Ca 0.07 -0.57 -0.31 0.00 0.82 0.00 0.00 66.70 66.71 3kk3 h VAL 518 Cb 0.05 1.51 0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3kk3 h VAL 518 CO -0.01 0.04 -1.35 0.78 0.02 0.00 0.00 177.57 177.04 3kk3 h ASN 519 N 0.00 0.73 -0.50 0.57 2.35 -0.54 -1.35 115.58 116.83 3kk3 h ASN 519 Ca -0.00 -0.75 -0.04 0.00 -0.55 0.00 0.00 56.30 54.96 3kk3 h ASN 519 Cb 0.51 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3kk3 h ASN 519 CO 0.00 1.58 0.18 1.56 -1.65 0.00 0.00 177.43 179.10 3kk3 h GLN 520 N 0.16 0.82 -0.35 0.81 4.20 0.11 -0.98 115.11 119.88 3kk3 h GLN 520 Ca -0.20 -0.15 -0.15 0.00 0.06 0.00 0.00 58.65 58.22 3kk3 h GLN 520 Cb 2.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.68 3kk3 h GLN 520 CO 0.25 0.71 -0.36 0.82 -0.67 0.00 0.00 178.83 179.57 3kk3 h ILE 521 N 0.80 1.28 -0.49 2.54 2.04 -0.74 -3.03 117.51 119.91 3kk3 h ILE 521 Ca 0.18 -1.53 -0.05 0.00 1.00 0.00 0.00 64.86 64.46 3kk3 h ILE 521 Cb 0.23 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3kk3 h ILE 521 CO -0.01 0.50 0.09 0.40 0.00 0.00 0.00 178.15 179.14 3kk3 h ILE 522 N 0.68 1.25 -0.93 -0.67 2.04 -1.01 -1.52 117.51 117.33 3kk3 h ILE 522 Ca 0.06 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3kk3 h ILE 522 Cb 0.92 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 3kk3 h ILE 522 CO 0.08 0.32 0.59 1.05 0.00 0.00 0.00 178.15 180.19 3kk3 h GLU 523 N 0.67 1.25 0.84 2.37 -0.00 -1.20 -0.93 114.58 117.58 3kk3 h GLU 523 Ca 0.15 -0.10 -0.04 0.00 -0.00 0.00 0.00 59.36 59.37 3kk3 h GLU 523 Cb 0.37 -0.27 0.01 0.00 -0.00 0.00 0.00 28.75 28.86 3kk3 h GLU 523 CO 0.01 0.86 -0.40 1.96 -0.00 0.00 0.00 179.01 181.43 3kk3 h GLN 524 N 1.28 -1.08 -1.07 1.06 1.08 -1.49 -3.06 115.11 111.82 3kk3 h GLN 524 Ca 0.34 0.07 0.34 0.00 -1.45 0.00 0.00 58.65 57.96 3kk3 h GLN 524 Cb -0.09 0.25 -0.14 0.00 -0.05 0.00 0.00 27.48 27.45 3kk3 h GLN 524 CO -0.07 -0.71 0.64 -0.07 -0.95 0.00 0.00 178.83 177.67 3kk3 h LEU 525 N -1.23 0.44 -1.39 1.46 3.38 -0.93 1.57 115.31 118.62 3kk3 h LEU 525 Ca -0.11 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kk3 h LEU 525 Cb 0.87 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3kk3 h LEU 525 CO 0.19 -0.13 -0.01 0.40 0.09 0.00 0.00 178.44 178.97 3kk3 h ILE 526 N 0.27 0.03 0.00 1.22 2.04 -1.12 -3.11 117.51 116.84 3kk3 h ILE 526 Ca 0.74 -0.56 -0.14 0.00 1.00 0.00 0.00 64.86 65.90 3kk3 h ILE 526 Cb 1.88 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 39.47 3kk3 h ILE 526 CO -0.54 0.01 -1.27 0.11 0.00 0.00 0.00 178.15 176.46 3kk3 h LYS 527 N 0.00 0.00 -7.39 2.37 1.57 0.24 -3.47 116.57 109.88 3kk3 h LYS 527 Ca -0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 3kk3 h LYS 527 Cb 0.54 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.98 3kk3 h LYS 527 CO 0.00 0.28 0.29 0.15 -0.57 0.00 0.00 179.45 179.60 3kk3 s LYS 528 N -2.98 1.59 -0.06 3.15 -0.14 -1.02 -4.97 119.74 115.32 3kk3 s LYS 528 Ca -0.02 0.65 0.21 0.00 -1.36 0.00 0.00 55.97 55.45 3kk3 s LYS 528 Cb 0.09 -1.86 -0.32 0.00 -1.68 0.00 0.00 37.83 34.06 3kk3 s LYS 528 CO 0.80 -1.97 0.41 0.39 -0.76 0.00 0.00 175.35 174.22 3kk3 n GLU 529 N -3.67 0.66 -3.64 1.68 1.02 0.31 -4.97 120.64 112.04 3kk3 n GLU 529 Ca 0.07 -0.17 -0.14 0.00 -0.02 0.00 0.00 57.16 56.90 3kk3 n GLU 529 Cb 0.56 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 30.40 3kk3 n GLU 529 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3kk3 s LYS 530 N -3.33 0.80 -0.02 3.49 1.02 -1.15 -5.03 119.74 115.52 3kk3 s LYS 530 Ca -0.08 0.76 -0.00 0.00 0.02 0.00 0.00 55.97 56.67 3kk3 s LYS 530 Cb 0.12 0.39 0.03 0.00 -0.52 0.00 0.00 37.83 37.85 3kk3 s LYS 530 CO 0.88 -0.13 0.03 0.08 -0.92 0.00 0.00 175.35 175.28 3kk3 s VAL 531 N 0.03 -0.05 -0.12 3.17 1.01 -1.26 -2.72 120.40 120.47 3kk3 s VAL 531 Ca -0.02 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.18 3kk3 s VAL 531 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 3kk3 s VAL 531 CO 0.02 0.10 -0.14 -0.47 0.00 0.00 0.00 175.10 174.61 3kk3 s TYR 532 N 1.12 2.79 -0.23 5.22 5.04 -0.78 -1.18 117.35 129.34 3kk3 s TYR 532 Ca -0.08 -0.61 -0.01 0.00 -2.44 0.00 0.00 57.07 53.93 3kk3 s TYR 532 Cb -0.13 -1.81 0.02 0.00 0.35 0.00 0.00 41.96 40.39 3kk3 s TYR 532 CO -0.03 -0.17 -0.10 -1.17 -1.34 0.00 0.00 175.55 172.74 3kk3 s LEU 533 N 0.22 2.87 0.07 6.97 2.96 -1.26 -0.31 118.68 130.20 3kk3 s LEU 533 Ca -0.09 -0.75 0.06 0.00 -0.22 0.00 0.00 54.13 53.13 3kk3 s LEU 533 Cb -0.15 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3kk3 s LEU 533 CO 0.05 -0.08 -0.10 0.00 -1.32 0.00 0.00 176.35 174.90 3kk3 s ALA 534 N 1.33 2.91 0.21 5.97 0.00 0.03 -5.00 121.76 127.23 3kk3 s ALA 534 Ca 0.02 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 50.88 3kk3 s ALA 534 Cb -0.15 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 3kk3 s ALA 534 CO -0.06 0.62 0.05 -0.46 0.00 0.00 0.00 175.76 175.91 3kk3 s TRP 535 N -1.11 2.89 -0.06 0.00 -0.00 -1.26 -1.43 118.94 117.98 3kk3 s TRP 535 Ca 0.19 -0.14 -0.17 0.00 -0.00 0.00 0.00 56.10 55.98 3kk3 s TRP 535 Cb -0.11 -1.35 0.03 0.00 -0.00 0.00 0.00 33.47 32.05 3kk3 s TRP 535 CO 0.11 0.55 0.38 0.14 -0.00 0.00 0.00 176.95 178.13 3kk3 s VAL 536 N -1.98 0.03 -0.22 5.86 -7.23 -0.26 -4.87 120.40 111.74 3kk3 s VAL 536 Ca 0.30 -0.29 -0.37 0.00 -1.81 0.00 0.00 61.98 59.82 3kk3 s VAL 536 Cb -0.08 -0.65 -0.13 0.00 0.56 0.00 0.00 36.38 36.08 3kk3 s VAL 536 CO 0.21 -0.16 1.89 -2.65 -0.31 0.00 0.00 175.10 174.08 3kk3 n PRO 537 N 1.66 1.57 -2.14 4.82 -0.02 -1.26 -4.08 135.00 135.55 3kk3 n PRO 537 Ca -0.19 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.49 3kk3 n PRO 537 Cb 0.56 -2.41 0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3kk3 n PRO 537 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kk3 s ALA 538 N 4.54 2.62 0.00 3.55 0.00 -1.26 -3.29 121.76 127.92 3kk3 s ALA 538 Ca 0.98 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.83 3kk3 s ALA 538 Cb -0.87 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 18.86 3kk3 s ALA 538 CO 0.57 -0.95 0.00 0.72 0.00 0.00 0.00 175.76 176.10 3kk3 n HIS 539 N -1.47 0.00 0.54 0.00 8.25 -1.26 -4.79 115.22 116.49 3kk3 n HIS 539 Ca 0.12 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.70 3kk3 n HIS 539 Cb 0.50 -1.41 0.25 0.00 1.12 0.00 0.00 29.99 30.46 3kk3 n HIS 539 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3kk3 n LYS 540 N -0.39 2.31 -2.32 -0.41 3.00 -1.21 -4.96 118.16 114.19 3kk3 n LYS 540 Ca 0.00 -1.98 -0.09 0.00 -0.00 0.00 0.00 58.31 56.24 3kk3 n LYS 540 Cb 0.31 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.86 3kk3 n LYS 540 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kk3 n GLY 541 N 1.41 0.09 3.77 3.14 0.00 -1.26 -4.99 105.19 107.34 3kk3 n GLY 541 Ca 0.19 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3kk3 n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kk3 s ILE 542 N -2.56 3.19 -0.34 -0.61 1.09 -1.26 -4.81 121.20 115.89 3kk3 s ILE 542 Ca 0.05 1.13 -0.29 0.00 -1.10 0.00 0.00 60.65 60.44 3kk3 s ILE 542 Cb -0.02 -3.70 0.02 0.00 -1.06 0.00 0.00 42.46 37.70 3kk3 s ILE 542 CO 0.06 0.22 1.09 -0.83 -0.10 0.00 0.00 174.94 175.38 3kk3 s GLY 543 N -0.86 1.52 -0.29 6.18 0.00 -1.26 0.68 107.32 113.29 3kk3 s GLY 543 Ca 0.49 -0.11 0.13 0.00 0.00 0.00 0.00 44.72 45.24 3kk3 s GLY 543 CO 0.43 2.29 1.15 0.61 0.00 0.00 0.00 173.10 177.58 3kk3 n GLY 544 N 4.00 4.49 0.00 0.20 0.00 -1.26 -5.00 105.19 107.61 3kk3 n GLY 544 Ca 0.12 -2.03 0.03 0.00 0.00 0.00 0.00 46.02 44.14 3kk3 n GLY 544 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kk3 n ASN 545 N -0.63 0.00 0.01 1.61 2.85 0.21 -1.46 115.26 117.86 3kk3 n ASN 545 Ca 0.29 -0.12 -0.00 0.00 -0.11 0.00 0.00 54.58 54.64 3kk3 n ASN 545 Cb 0.88 -0.06 -0.10 0.00 1.24 0.00 0.00 39.78 41.75 3kk3 n ASN 545 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 3kk3 n GLU 546 N -1.06 0.63 0.11 1.20 2.13 -0.93 -3.29 120.64 119.43 3kk3 n GLU 546 Ca 0.04 0.15 -0.23 0.00 0.66 0.00 0.00 57.16 57.78 3kk3 n GLU 546 Cb 0.03 -1.74 -0.15 0.00 0.27 0.00 0.00 31.44 29.84 3kk3 n GLU 546 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3kk3 h GLN 547 N 0.00 0.45 -0.73 5.31 4.20 -1.54 0.02 115.11 122.82 3kk3 h GLN 547 Ca -0.20 -0.77 0.04 0.00 0.06 0.00 0.00 58.65 57.78 3kk3 h GLN 547 Cb 1.61 0.29 -0.04 0.00 0.30 0.00 0.00 27.48 29.63 3kk3 h GLN 547 CO 0.04 1.37 0.48 0.28 -0.67 0.00 0.00 178.83 180.33 3kk3 h VAL 548 N -0.04 1.08 0.01 -0.54 2.07 -1.71 -0.02 116.25 117.09 3kk3 h VAL 548 Ca -0.22 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 66.81 3kk3 h VAL 548 Cb 1.98 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3kk3 h VAL 548 CO 0.23 0.16 -0.88 -0.78 0.02 0.00 0.00 177.57 176.31 3kk3 h ASP 549 N 0.85 0.18 0.06 0.57 -0.00 -1.52 -1.48 116.42 115.08 3kk3 h ASP 549 Ca 0.30 -0.15 -0.27 0.00 -0.00 0.00 0.00 57.03 56.91 3kk3 h ASP 549 Cb 0.12 -0.06 0.02 0.00 -0.00 0.00 0.00 39.33 39.41 3kk3 h ASP 549 CO -0.09 0.97 -1.07 0.50 -0.00 0.00 0.00 179.24 179.55 3kk3 h LYS 550 N 0.07 0.66 -0.18 0.28 3.64 -0.28 -1.76 116.57 119.01 3kk3 h LYS 550 Ca -0.04 -0.74 -0.17 0.00 -1.27 0.00 0.00 60.65 58.44 3kk3 h LYS 550 Cb 1.52 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 33.55 3kk3 h LYS 550 CO 0.13 1.32 -0.58 -0.07 -2.27 0.00 0.00 179.45 177.97 3kk3 h LEU 551 N 0.36 0.64 0.00 5.20 4.07 -1.04 -3.32 115.31 121.23 3kk3 h LEU 551 Ca -0.13 -0.35 -0.16 0.00 0.08 0.00 0.00 57.88 57.31 3kk3 h LEU 551 Cb 1.72 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 43.25 3kk3 h LEU 551 CO 0.21 1.08 -0.93 0.58 -1.08 0.00 0.00 178.44 178.30 3kk3 h VAL 552 N 0.43 0.96 -0.87 1.22 2.07 -1.31 -3.36 116.25 115.40 3kk3 h VAL 552 Ca 0.00 -2.46 -0.73 0.00 0.82 0.00 0.00 66.70 64.33 3kk3 h VAL 552 Cb 1.14 2.42 -0.10 0.00 -1.52 0.00 0.00 31.29 33.23 3kk3 h VAL 552 CO 0.11 0.55 2.64 -1.20 0.02 0.00 0.00 177.57 179.69 3kk3 n SER 553 N -3.16 6.58 -0.09 0.57 7.64 -0.66 -3.81 113.62 120.70 3kk3 n SER 553 Ca -0.03 -2.99 0.11 0.00 1.01 0.00 0.00 58.87 56.97 3kk3 n SER 553 Cb 0.83 -1.48 -0.02 0.00 -1.01 0.00 0.00 64.21 62.53 3kk3 n SER 553 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kk3 n ALA 554 N 3.38 4.32 1.36 -0.43 0.00 -1.26 -4.96 120.51 122.92 3kk3 n ALA 554 Ca 0.56 -0.56 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3kk3 n ALA 554 Cb 0.30 -0.84 0.65 0.00 0.00 0.00 0.00 19.45 19.55 3kk3 n ALA 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91