#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kk3 n ILE 5 N 0.00 0.00 -4.42 4.25 3.06 -1.26 -5.10 119.36 115.89 3kk3 n ILE 5 Ca 0.00 0.00 -0.21 0.00 -2.50 0.00 0.00 62.75 60.04 3kk3 n ILE 5 Cb 0.00 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.08 3kk3 n ILE 5 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 3kk3 s GLU 6 N 0.24 1.55 0.37 9.51 4.04 -1.26 -4.97 118.70 128.18 3kk3 s GLU 6 Ca 0.00 -1.81 0.04 0.00 0.04 0.00 0.00 54.97 53.24 3kk3 s GLU 6 Cb 0.00 -1.00 -0.04 0.00 0.02 0.00 0.00 34.13 33.11 3kk3 s GLU 6 CO 0.00 -0.05 0.08 -0.08 -1.84 0.00 0.00 175.26 173.37 3kk3 s THR 7 N -3.15 0.97 -0.12 1.83 -1.32 -1.26 -4.82 115.64 107.76 3kk3 s THR 7 Ca 0.31 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.77 3kk3 s THR 7 Cb 0.06 -2.57 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 3kk3 s THR 7 CO 0.12 0.00 -0.05 0.54 -2.21 0.00 0.00 174.62 173.02 3kk3 s VAL 8 N -3.22 3.78 0.26 5.08 0.11 -1.26 -4.94 120.40 120.20 3kk3 s VAL 8 Ca 0.29 -0.42 -0.30 0.00 -2.93 0.00 0.00 61.98 58.63 3kk3 s VAL 8 Cb 0.06 -2.61 -0.10 0.00 -1.53 0.00 0.00 36.38 32.20 3kk3 s VAL 8 CO 0.14 0.53 1.41 -2.84 -3.33 0.00 0.00 175.10 171.02 3kk3 s PRO 9 N -0.06 4.28 0.28 1.54 0.02 -1.26 -4.00 135.00 135.80 3kk3 s PRO 9 Ca 0.01 2.28 0.02 0.00 0.02 0.00 0.00 61.00 63.33 3kk3 s PRO 9 Cb -0.13 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 3kk3 s PRO 9 CO 0.03 -0.38 0.14 0.08 -0.33 0.00 0.00 177.00 176.54 3kk3 s VAL 10 N -0.19 0.33 -0.09 3.83 1.01 -1.26 -5.06 120.40 118.97 3kk3 s VAL 10 Ca 0.57 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.25 3kk3 s VAL 10 Cb -0.41 -2.54 0.08 0.00 0.00 0.00 0.00 36.38 33.51 3kk3 s VAL 10 CO 0.45 0.00 0.76 -0.75 0.00 0.00 0.00 175.10 175.56 3kk3 s LYS 11 N -3.92 0.93 0.31 2.72 2.20 -1.26 -4.92 119.74 115.81 3kk3 s LYS 11 Ca 0.37 0.29 -0.26 0.00 -0.36 0.00 0.00 55.97 56.01 3kk3 s LYS 11 Cb 0.06 0.44 -0.10 0.00 -1.51 0.00 0.00 37.83 36.72 3kk3 s LYS 11 CO 0.16 -0.28 0.94 -0.51 -0.36 0.00 0.00 175.35 175.30 3kk3 s LEU 12 N -1.04 4.37 0.10 5.43 1.43 -1.26 -1.55 118.68 126.16 3kk3 s LEU 12 Ca -0.08 1.84 -0.33 0.00 -1.03 0.00 0.00 54.13 54.53 3kk3 s LEU 12 Cb -0.01 -3.97 -0.18 0.00 0.03 0.00 0.00 46.19 42.07 3kk3 s LEU 12 CO 0.07 -0.04 0.78 0.29 0.23 0.00 0.00 176.35 177.68 3kk3 n LYS 13 N 0.66 0.00 -1.54 1.70 5.02 0.15 -4.37 118.16 119.77 3kk3 n LYS 13 Ca 0.01 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.14 3kk3 n LYS 13 Cb 0.50 -1.22 -0.12 0.00 -0.02 0.00 0.00 35.03 34.17 3kk3 n LYS 13 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kk3 n PRO 14 N 1.22 0.40 0.00 1.97 -0.04 -1.26 -1.00 135.00 136.29 3kk3 n PRO 14 Ca 0.18 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 3kk3 n PRO 14 Cb 0.16 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 3kk3 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kk3 n GLY 15 N 6.41 1.37 3.87 0.55 0.00 -1.26 -5.13 105.19 111.00 3kk3 n GLY 15 Ca 0.53 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 3.79 0.31 1.61 -1.94 -0.17 -5.10 119.30 117.81 3kk3 s MET 16 Ca 0.00 0.46 0.08 0.00 -1.71 0.00 0.00 55.69 54.52 3kk3 s MET 16 Cb 0.00 -2.41 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 3kk3 s MET 16 CO 0.00 -0.01 0.22 0.34 -0.01 0.00 0.00 175.02 175.57 3kk3 s ASP 17 N -3.08 5.18 1.12 3.03 2.15 -1.26 -4.76 116.67 119.05 3kk3 s ASP 17 Ca 0.51 -0.50 -0.15 0.00 0.43 0.00 0.00 52.55 52.84 3kk3 s ASP 17 Cb -0.10 -1.01 0.20 0.00 -0.30 0.00 0.00 42.92 41.70 3kk3 s ASP 17 CO 0.30 -0.25 0.64 0.61 -0.17 0.00 0.00 175.17 176.31 3kk3 n GLY 18 N -1.25 -2.05 3.73 2.66 0.00 -1.26 -4.93 105.19 102.08 3kk3 n GLY 18 Ca -0.04 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 3kk3 n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kk3 s PRO 19 N -4.04 4.26 -0.49 1.61 0.02 -1.26 -4.99 135.00 130.11 3kk3 s PRO 19 Ca 0.63 2.27 0.08 0.00 0.02 0.00 0.00 61.00 64.01 3kk3 s PRO 19 Cb -0.20 -3.15 0.29 0.00 0.02 0.00 0.00 34.50 31.45 3kk3 s PRO 19 CO 0.65 -0.48 0.71 1.63 -0.33 0.00 0.00 177.00 179.18 3kk3 n LYS 20 N 3.21 1.72 -4.28 5.54 5.02 -1.24 -1.08 118.16 127.06 3kk3 n LYS 20 Ca 0.10 -3.94 -0.35 0.00 -2.02 0.00 0.00 58.31 52.09 3kk3 n LYS 20 Cb 0.40 -1.79 -0.09 0.00 -0.02 0.00 0.00 35.03 33.53 3kk3 n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kk3 s VAL 21 N -2.42 4.51 0.48 -0.18 1.01 -0.04 -4.86 120.40 118.89 3kk3 s VAL 21 Ca 0.40 -0.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 3kk3 s VAL 21 Cb 0.23 -2.92 -0.08 0.00 0.00 0.00 0.00 36.38 33.61 3kk3 s VAL 21 CO -0.08 0.60 1.07 -0.54 0.00 0.00 0.00 175.10 176.15 3kk3 s LYS 22 N -0.80 3.78 0.07 2.72 -0.14 -1.26 -4.10 119.74 120.01 3kk3 s LYS 22 Ca 0.12 1.48 -0.30 0.00 -1.36 0.00 0.00 55.97 55.91 3kk3 s LYS 22 Cb -0.12 -2.19 -0.05 0.00 -1.68 0.00 0.00 37.83 33.80 3kk3 s LYS 22 CO 0.02 -0.47 0.97 -1.14 -0.76 0.00 0.00 175.35 173.97 3kk3 s GLN 23 N -3.05 4.65 0.39 1.68 2.00 -1.26 -4.56 119.66 119.50 3kk3 s GLN 23 Ca 0.66 1.45 -0.01 0.00 -2.00 0.00 0.00 55.36 55.46 3kk3 s GLN 23 Cb -0.20 -3.40 -0.03 0.00 0.80 0.00 0.00 33.01 30.18 3kk3 s GLN 23 CO 0.24 0.12 0.61 1.67 -0.50 0.00 0.00 175.29 177.43 3kk3 s TRP 24 N 0.35 3.48 0.51 1.67 -2.14 -1.26 -5.04 118.94 116.51 3kk3 s TRP 24 Ca 0.49 0.42 -0.22 0.00 2.66 0.00 0.00 56.10 59.45 3kk3 s TRP 24 Cb -0.23 -2.02 -0.06 0.00 -3.10 0.00 0.00 33.47 28.06 3kk3 s TRP 24 CO 0.29 -0.01 1.24 -1.25 -2.66 0.00 0.00 176.95 174.56 3kk3 s PRO 25 N -4.43 3.44 0.15 3.25 0.04 -1.26 -4.95 135.00 131.24 3kk3 s PRO 25 Ca 0.42 1.94 0.08 0.00 0.04 0.00 0.00 61.00 63.48 3kk3 s PRO 25 Cb -0.10 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3kk3 s PRO 25 CO 0.38 -0.86 -0.17 -0.51 0.04 0.00 0.00 177.00 175.88 3kk3 s LEU 26 N -3.34 2.43 0.43 -3.56 1.43 -1.26 -5.14 118.68 109.67 3kk3 s LEU 26 Ca 0.68 -0.85 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 3kk3 s LEU 26 Cb -0.33 -0.74 -0.10 0.00 0.03 0.00 0.00 46.19 45.05 3kk3 s LEU 26 CO 0.39 -0.07 0.97 0.42 0.23 0.00 0.00 176.35 178.29 3kk3 s THR 27 N -2.09 4.24 0.25 5.49 -4.23 -1.26 -4.88 115.64 113.16 3kk3 s THR 27 Ca 0.14 1.44 -0.07 0.00 -1.18 0.00 0.00 61.69 62.02 3kk3 s THR 27 Cb -0.05 -3.61 0.40 0.00 1.34 0.00 0.00 72.50 70.58 3kk3 s THR 27 CO 0.05 -0.25 1.37 1.21 -0.54 0.00 0.00 174.62 176.46 3kk3 n GLU 28 N -0.57 -0.08 -0.24 3.99 2.13 -1.26 -0.36 120.64 124.25 3kk3 n GLU 28 Ca 0.07 1.36 -0.06 0.00 0.66 0.00 0.00 57.16 59.19 3kk3 n GLU 28 Cb 0.53 -2.04 0.05 0.00 0.27 0.00 0.00 31.44 30.25 3kk3 n GLU 28 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 3kk3 h GLU 29 N 0.00 0.92 0.00 5.31 4.11 -1.99 0.27 114.58 123.20 3kk3 h GLU 29 Ca 0.42 -0.10 -0.05 0.00 0.07 0.00 0.00 59.36 59.71 3kk3 h GLU 29 Cb 0.66 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3kk3 h GLU 29 CO -0.90 0.67 -0.22 0.87 0.07 0.00 0.00 179.01 179.51 3kk3 h LYS 30 N 0.91 0.00 0.00 1.06 1.57 -1.05 -1.88 116.57 117.18 3kk3 h LYS 30 Ca 0.24 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 3kk3 h LYS 30 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3kk3 h LYS 30 CO -0.04 0.22 -0.31 0.82 -0.57 0.00 0.00 179.45 179.57 3kk3 h ILE 31 N 0.00 1.40 -0.51 1.86 2.04 -0.42 -2.85 117.51 119.04 3kk3 h ILE 31 Ca -0.00 -2.17 0.10 0.00 1.00 0.00 0.00 64.86 63.79 3kk3 h ILE 31 Cb 0.68 2.77 -0.10 0.00 -0.74 0.00 0.00 36.82 39.43 3kk3 h ILE 31 CO 0.03 0.48 -0.18 0.11 0.00 0.00 0.00 178.15 178.58 3kk3 h LYS 32 N -1.00 -0.06 -0.80 2.37 6.56 -0.48 0.26 116.57 123.41 3kk3 h LYS 32 Ca -0.08 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.69 3kk3 h LYS 32 Cb 0.98 0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 32.54 3kk3 h LYS 32 CO -0.05 -0.04 0.28 0.00 -2.06 0.00 0.00 179.45 177.58 3kk3 h ALA 33 N 1.35 1.14 -0.12 3.86 0.00 -1.46 -2.47 119.26 121.55 3kk3 h ALA 33 Ca 0.24 0.15 -0.22 0.00 0.00 0.00 0.00 54.91 55.08 3kk3 h ALA 33 Cb 0.44 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kk3 h ALA 33 CO -0.55 -0.30 -0.79 -0.07 0.00 0.00 0.00 179.25 177.53 3kk3 h LEU 34 N 0.36 0.91 -0.67 0.00 3.38 -0.29 -0.91 115.31 118.08 3kk3 h LEU 34 Ca 0.46 -0.65 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 3kk3 h LEU 34 Cb 0.80 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3kk3 h LEU 34 CO -0.49 1.42 -0.51 -0.37 0.09 0.00 0.00 178.44 178.57 3kk3 h VAL 35 N 0.47 1.10 -0.16 1.22 -1.51 -1.23 0.12 116.25 116.26 3kk3 h VAL 35 Ca -0.06 -1.95 -0.03 0.00 -1.23 0.00 0.00 66.70 63.42 3kk3 h VAL 35 Cb 1.43 2.14 -0.01 0.00 -2.13 0.00 0.00 31.29 32.72 3kk3 h VAL 35 CO 0.16 0.50 -0.03 -0.08 -1.23 0.00 0.00 177.57 176.90 3kk3 h GLU 36 N 0.00 0.30 -0.63 5.19 4.81 -1.22 0.13 114.58 123.16 3kk3 h GLU 36 Ca -0.01 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 3kk3 h GLU 36 Cb 1.10 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 3kk3 h GLU 36 CO 0.07 0.57 0.18 0.82 -0.73 0.00 0.00 179.01 179.92 3kk3 h ILE 37 N 0.01 1.25 0.00 2.32 2.04 -0.98 -3.04 117.51 119.10 3kk3 h ILE 37 Ca 0.04 -0.88 -0.11 0.00 1.00 0.00 0.00 64.86 64.92 3kk3 h ILE 37 Cb 0.45 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3kk3 h ILE 37 CO 0.01 0.33 -0.59 0.00 0.00 0.00 0.00 178.15 177.90 3kk3 h THR 39 N 0.00 0.89 -0.34 0.00 1.35 -0.67 -1.80 112.91 112.35 3kk3 h THR 39 Ca -0.02 -0.07 -0.07 0.00 -0.55 0.00 0.00 66.41 65.70 3kk3 h THR 39 Cb 1.40 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 3kk3 h THR 39 CO 0.06 0.04 -0.06 -0.08 -0.25 0.00 0.00 175.52 175.24 3kk3 h GLU 40 N 0.21 0.63 0.00 4.72 4.57 -1.41 -1.64 114.58 121.66 3kk3 h GLU 40 Ca 0.14 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3kk3 h GLU 40 Cb 0.12 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3kk3 h GLU 40 CO -0.16 0.79 0.00 -1.33 -1.18 0.00 0.00 179.01 177.13 3kk3 n MET 41 N -4.46 0.20 -0.05 1.92 2.81 -0.92 -1.01 117.12 115.61 3kk3 n MET 41 Ca -0.02 0.46 -0.12 0.00 -1.81 0.00 0.00 57.70 56.21 3kk3 n MET 41 Cb 0.31 -1.90 -0.11 0.00 -0.71 0.00 0.00 33.22 30.81 3kk3 n MET 41 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3kk3 h GLU 42 N 0.00 -0.02 -0.79 0.03 4.81 -0.64 0.15 114.58 118.12 3kk3 h GLU 42 Ca 0.00 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.40 3kk3 h GLU 42 Cb 0.31 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 3kk3 h GLU 42 CO 0.00 0.77 0.53 0.87 -0.73 0.00 0.00 179.01 180.45 3kk3 h LYS 43 N -0.91 0.39 0.00 1.92 1.57 -0.74 -1.50 116.57 117.31 3kk3 h LYS 43 Ca -0.00 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.52 3kk3 h LYS 43 Cb 0.79 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 3kk3 h LYS 43 CO 0.00 0.26 -1.24 0.93 -0.57 0.00 0.00 179.45 178.83 3kk3 h GLU 44 N 0.40 0.00 -0.07 3.15 3.07 -1.15 -3.48 114.58 116.50 3kk3 h GLU 44 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3kk3 h GLU 44 Cb 0.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 3kk3 h GLU 44 CO -0.13 0.77 0.00 0.41 -1.40 0.00 0.00 179.01 178.66 3kk3 n GLY 45 N 1.42 1.37 0.10 -3.84 0.00 -0.56 -4.99 105.19 98.67 3kk3 n GLY 45 Ca -0.06 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 3kk3 n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kk3 n LYS 46 N -0.83 0.67 -4.85 1.61 5.02 0.43 -4.74 118.16 115.47 3kk3 n LYS 46 Ca 0.00 0.11 -0.26 0.00 -2.02 0.00 0.00 58.31 56.14 3kk3 n LYS 46 Cb 0.17 -1.62 -0.16 0.00 -0.02 0.00 0.00 35.03 33.40 3kk3 n LYS 46 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3kk3 s ILE 47 N -2.53 1.45 0.16 -0.18 -4.36 -0.93 -0.82 121.20 113.99 3kk3 s ILE 47 Ca -0.10 -0.73 0.05 0.00 -0.26 0.00 0.00 60.65 59.61 3kk3 s ILE 47 Cb 0.07 -1.25 -0.04 0.00 1.25 0.00 0.00 42.46 42.49 3kk3 s ILE 47 CO 0.81 0.42 0.12 -0.44 0.24 0.00 0.00 174.94 176.09 3kk3 s SER 48 N 0.06 5.46 0.08 4.36 0.01 -0.40 -4.17 113.70 119.09 3kk3 s SER 48 Ca -0.04 -0.14 -0.23 0.00 1.31 0.00 0.00 55.95 56.84 3kk3 s SER 48 Cb -0.12 -1.41 -0.06 0.00 0.21 0.00 0.00 66.02 64.64 3kk3 s SER 48 CO 0.02 0.08 0.70 -0.75 0.41 0.00 0.00 173.24 173.70 3kk3 s LYS 49 N -3.03 4.43 0.23 12.44 2.20 -1.26 -1.18 119.74 133.57 3kk3 s LYS 49 Ca 0.30 0.97 0.03 0.00 -0.36 0.00 0.00 55.97 56.91 3kk3 s LYS 49 Cb -0.10 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3kk3 s LYS 49 CO 0.23 0.45 0.10 0.44 -0.36 0.00 0.00 175.35 176.21 3kk3 n ILE 50 N 2.24 0.00 -3.08 5.43 -5.35 0.07 -4.93 119.36 113.73 3kk3 n ILE 50 Ca -0.06 -1.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.04 3kk3 n ILE 50 Cb 0.50 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 3kk3 n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kk3 n GLY 51 N 0.33 5.62 0.28 3.28 0.00 -1.26 -4.03 105.19 109.40 3kk3 n GLY 51 Ca -0.02 -1.57 0.14 0.00 0.00 0.00 0.00 46.02 44.57 3kk3 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kk3 h PRO 52 N 0.00 0.00 0.00 1.61 0.13 -2.00 -2.92 132.00 128.82 3kk3 h PRO 52 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kk3 h PRO 52 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kk3 h PRO 52 CO 0.00 0.07 0.11 -0.85 -0.23 0.00 0.00 178.00 177.10 3kk3 n GLU 53 N -3.72 0.12 -3.28 0.86 -0.00 -1.26 -3.82 120.64 109.53 3kk3 n GLU 53 Ca -0.02 0.62 -0.44 0.00 -0.00 0.00 0.00 57.16 57.32 3kk3 n GLU 53 Cb 0.18 -2.02 -0.07 0.00 -0.00 0.00 0.00 31.44 29.52 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 -3.82 6.19 0.00 -1.84 3.84 -1.11 -4.95 114.94 113.26 3kk3 s ASN 54 Ca -0.02 -0.99 0.13 0.00 0.21 0.00 0.00 52.86 52.19 3kk3 s ASN 54 Cb 0.05 -2.23 0.60 0.00 -0.55 0.00 0.00 41.25 39.12 3kk3 s ASN 54 CO 0.17 -0.72 1.36 -0.81 -2.79 0.00 0.00 177.10 174.32 3kk3 n PRO 55 N 5.67 0.10 -3.95 0.43 -0.04 -1.25 -4.83 135.00 131.13 3kk3 n PRO 55 Ca -0.09 0.22 -0.33 0.00 -0.04 0.00 0.00 63.50 63.27 3kk3 n PRO 55 Cb 0.45 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 3kk3 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kk3 s TYR 56 N -2.77 3.47 -0.09 0.54 2.02 -1.26 -4.82 117.35 114.44 3kk3 s TYR 56 Ca 0.09 0.29 -0.15 0.00 -0.37 0.00 0.00 57.07 56.94 3kk3 s TYR 56 Cb 0.08 -1.78 0.03 0.00 -0.40 0.00 0.00 41.96 39.89 3kk3 s TYR 56 CO 0.21 0.61 0.36 1.21 -1.57 0.00 0.00 175.55 176.37 3kk3 s ASN 57 N -2.05 -0.32 0.02 2.29 2.47 -0.24 -4.67 114.94 112.44 3kk3 s ASN 57 Ca 0.28 0.48 0.05 0.00 0.42 0.00 0.00 52.86 54.09 3kk3 s ASN 57 Cb -0.13 0.57 -0.02 0.00 -1.45 0.00 0.00 41.25 40.23 3kk3 s ASN 57 CO 0.20 -0.28 -0.15 -0.89 -3.72 0.00 0.00 177.10 172.26 3kk3 s THR 58 N -0.49 1.20 0.60 -5.21 2.01 -0.08 -0.87 115.64 112.81 3kk3 s THR 58 Ca -0.06 -0.90 -0.18 0.00 0.31 0.00 0.00 61.69 60.86 3kk3 s THR 58 Cb -0.04 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3kk3 s THR 58 CO 0.02 0.14 1.19 -2.84 -0.69 0.00 0.00 174.62 172.44 3kk3 s PRO 59 N -0.87 2.94 -0.01 4.92 0.02 -1.26 -4.16 135.00 136.57 3kk3 s PRO 59 Ca 0.04 1.75 0.03 0.00 0.02 0.00 0.00 61.00 62.83 3kk3 s PRO 59 Cb -0.07 -1.93 -0.00 0.00 0.02 0.00 0.00 34.50 32.51 3kk3 s PRO 59 CO 0.01 -1.21 -0.08 0.14 -0.33 0.00 0.00 177.00 175.52 3kk3 s VAL 60 N -1.72 0.67 0.00 3.83 -7.23 -1.26 -1.88 120.40 112.81 3kk3 s VAL 60 Ca 0.76 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 3kk3 s VAL 60 Cb -0.28 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.09 3kk3 s VAL 60 CO 0.34 0.19 0.00 2.22 -0.31 0.00 0.00 175.10 177.54 3kk3 n PHE 61 N 2.95 0.00 -3.81 2.82 -1.74 -1.00 -4.87 117.46 111.81 3kk3 n PHE 61 Ca -0.14 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.63 3kk3 n PHE 61 Cb 0.57 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.46 3kk3 n PHE 61 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3kk3 s ALA 62 N -2.00 -0.54 -0.02 1.98 0.00 -1.26 -1.72 121.76 118.20 3kk3 s ALA 62 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.26 3kk3 s ALA 62 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3kk3 s ALA 62 CO 0.00 -0.18 -0.09 0.96 0.00 0.00 0.00 175.76 176.45 3kk3 s ILE 63 N -0.80 0.74 -0.15 0.00 -4.36 0.17 -4.88 121.20 111.92 3kk3 s ILE 63 Ca -0.09 -0.34 -0.29 0.00 -0.26 0.00 0.00 60.65 59.67 3kk3 s ILE 63 Cb -0.05 -0.66 -0.04 0.00 1.25 0.00 0.00 42.46 42.96 3kk3 s ILE 63 CO 0.02 0.23 1.59 -0.54 0.24 0.00 0.00 174.94 176.48 3kk3 s LYS 64 N 0.18 4.00 0.62 0.37 1.02 -1.26 0.11 119.74 124.77 3kk3 s LYS 64 Ca -0.03 1.88 0.38 0.00 0.02 0.00 0.00 55.97 58.22 3kk3 s LYS 64 Cb -0.08 -3.98 2.03 0.00 -0.52 0.00 0.00 37.83 35.28 3kk3 s LYS 64 CO 0.00 -1.04 2.26 -0.22 -0.92 0.00 0.00 175.35 175.43 3kk3 h LYS 65 N 9.94 0.00 0.00 1.68 3.64 -1.88 -3.45 116.57 126.51 3kk3 h LYS 65 Ca -0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3kk3 h LYS 65 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3kk3 h LYS 65 CO 0.98 0.02 0.00 1.63 -2.27 0.00 0.00 179.45 179.81 3kk3 n LYS 66 N -3.34 0.00 -2.36 1.90 4.01 -1.26 -4.85 118.16 112.26 3kk3 n LYS 66 Ca -0.02 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.41 3kk3 n LYS 66 Cb 0.13 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.62 3kk3 n LYS 66 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3kk3 s ASP 67 N 1.95 6.03 0.19 4.39 1.11 -1.26 -4.87 116.67 124.21 3kk3 s ASP 67 Ca 0.00 -1.80 -0.08 0.00 0.18 0.00 0.00 52.55 50.85 3kk3 s ASP 67 Cb 0.00 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.40 3kk3 s ASP 67 CO 0.00 -2.00 0.29 -0.55 1.18 0.00 0.00 175.17 174.09 3kk3 s SER 68 N 5.53 0.05 -0.00 0.27 0.15 -1.26 -5.04 113.70 113.40 3kk3 s SER 68 Ca 0.59 -1.00 0.22 0.00 0.70 0.00 0.00 55.95 56.45 3kk3 s SER 68 Cb 0.00 0.45 -0.29 0.00 -1.71 0.00 0.00 66.02 64.48 3kk3 s SER 68 CO 0.05 -0.93 0.55 0.35 1.20 0.00 0.00 173.24 174.46 3kk3 n THR 69 N -0.26 0.15 -2.14 6.45 -2.24 -1.26 -4.90 114.28 110.08 3kk3 n THR 69 Ca -0.04 -0.52 -0.43 0.00 -2.27 0.00 0.00 64.05 60.79 3kk3 n THR 69 Cb 0.63 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 3kk3 n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kk3 s LYS 70 N -3.46 4.04 0.09 -0.78 -0.14 -1.26 -5.00 119.74 113.23 3kk3 s LYS 70 Ca -0.07 1.86 -0.19 0.00 -1.36 0.00 0.00 55.97 56.20 3kk3 s LYS 70 Cb 0.13 -3.96 -0.07 0.00 -1.68 0.00 0.00 37.83 32.26 3kk3 s LYS 70 CO 0.89 -0.99 0.59 -1.58 -0.76 0.00 0.00 175.35 173.49 3kk3 s TRP 71 N 4.38 3.80 -0.25 3.18 0.52 -1.26 -4.15 118.94 125.15 3kk3 s TRP 71 Ca 0.68 1.29 -0.05 0.00 0.02 0.00 0.00 56.10 58.05 3kk3 s TRP 71 Cb -0.27 -2.51 0.00 0.00 -1.15 0.00 0.00 33.47 29.54 3kk3 s TRP 71 CO 0.26 0.56 0.00 0.50 0.02 0.00 0.00 176.95 178.30 3kk3 s ARG 72 N -1.20 3.19 0.16 4.98 3.52 0.29 -4.92 118.95 124.98 3kk3 s ARG 72 Ca 0.31 -0.76 -0.32 0.00 -0.13 0.00 0.00 55.73 54.83 3kk3 s ARG 72 Cb -0.19 -3.14 -0.10 0.00 -1.56 0.00 0.00 34.95 29.95 3kk3 s ARG 72 CO 0.20 -0.32 1.64 0.21 -0.81 0.00 0.00 175.30 176.22 3kk3 s LYS 73 N 1.46 4.18 -0.20 5.12 2.20 -1.26 -0.66 119.74 130.59 3kk3 s LYS 73 Ca 0.04 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 3kk3 s LYS 73 Cb -0.16 -3.20 0.05 0.00 -1.51 0.00 0.00 37.83 33.01 3kk3 s LYS 73 CO -0.01 -0.68 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.07 3kk3 s LEU 74 N 1.40 2.13 -0.37 5.43 2.96 -0.70 -4.94 118.68 124.59 3kk3 s LEU 74 Ca 0.72 -0.92 -0.18 0.00 -0.22 0.00 0.00 54.13 53.53 3kk3 s LEU 74 Cb -0.45 -1.09 0.00 0.00 0.50 0.00 0.00 46.19 45.16 3kk3 s LEU 74 CO 0.32 -0.20 0.49 -0.69 -1.32 0.00 0.00 176.35 174.95 3kk3 s VAL 75 N 1.49 5.03 -0.57 1.68 1.01 -1.26 -2.38 120.40 125.40 3kk3 s VAL 75 Ca -0.02 0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 3kk3 s VAL 75 Cb -0.17 -3.99 -0.23 0.00 0.00 0.00 0.00 36.38 31.99 3kk3 s VAL 75 CO -0.07 -0.29 1.83 -0.67 0.00 0.00 0.00 175.10 175.90 3kk3 n ASP 76 N 5.73 2.01 0.00 3.32 2.03 -0.79 -4.70 116.55 124.15 3kk3 n ASP 76 Ca -0.05 -2.61 0.03 0.00 0.52 0.00 0.00 54.79 52.67 3kk3 n ASP 76 Cb 0.49 -1.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.05 3kk3 n ASP 76 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3kk3 n PHE 77 N 9.22 0.00 -0.24 -0.67 3.72 -1.26 -4.22 117.46 124.01 3kk3 n PHE 77 Ca 0.48 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.99 3kk3 n PHE 77 Cb 0.42 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.17 3kk3 n PHE 77 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3kk3 n ARG 78 N -0.62 -0.05 -0.03 -1.08 3.00 -1.26 -0.10 116.66 116.52 3kk3 n ARG 78 Ca 0.04 1.03 -0.15 0.00 -0.00 0.00 0.00 57.85 58.77 3kk3 n ARG 78 Cb 0.02 -1.65 -0.11 0.00 0.00 0.00 0.00 32.46 30.72 3kk3 n ARG 78 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3kk3 h GLU 79 N 0.00 0.17 -0.76 -0.14 4.57 -2.00 -2.51 114.58 113.91 3kk3 h GLU 79 Ca 0.43 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 3kk3 h GLU 79 Cb 0.89 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.50 3kk3 h GLU 79 CO -0.65 0.92 0.42 1.25 -1.18 0.00 0.00 179.01 179.77 3kk3 h LEU 80 N -0.51 0.95 -0.43 1.64 5.85 -1.09 -0.77 115.31 120.94 3kk3 h LEU 80 Ca -0.03 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3kk3 h LEU 80 Cb 1.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3kk3 h LEU 80 CO 0.05 0.78 0.28 0.78 -0.34 0.00 0.00 178.44 179.98 3kk3 h ASN 81 N 1.06 0.47 -0.08 1.25 2.35 -0.55 0.80 115.58 120.88 3kk3 h ASN 81 Ca 0.27 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 56.03 3kk3 h ASN 81 Cb 0.04 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3kk3 h ASN 81 CO -0.04 0.34 0.08 0.50 -1.65 0.00 0.00 177.43 176.65 3kk3 h LYS 82 N 0.56 0.00 0.00 0.81 3.64 -0.86 -2.58 116.57 118.14 3kk3 h LYS 82 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3kk3 h LYS 82 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3kk3 h LYS 82 CO -0.05 0.00 -1.88 0.54 -2.27 0.00 0.00 179.45 175.79 3kk3 n ARG 83 N -3.97 0.59 -2.23 1.90 1.74 0.28 -4.95 116.66 110.03 3kk3 n ARG 83 Ca -0.01 -0.18 -0.40 0.00 -0.77 0.00 0.00 57.85 56.49 3kk3 n ARG 83 Cb 0.18 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 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 -3.44 2.96 0.67 0.55 2.01 0.25 0.30 115.64 118.94 3kk3 s THR 84 Ca -0.06 0.95 -0.17 0.00 0.31 0.00 0.00 61.69 62.72 3kk3 s THR 84 Cb 0.14 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.99 3kk3 s THR 84 CO 0.89 0.21 0.46 0.00 -0.69 0.00 0.00 174.62 175.49 3kk3 n GLN 85 N 0.80 0.36 -1.60 4.92 10.64 -0.59 -4.37 117.38 127.53 3kk3 n GLN 85 Ca 0.00 0.15 -0.40 0.00 -1.83 0.00 0.00 57.00 54.93 3kk3 n GLN 85 Cb 0.43 -1.73 -0.03 0.00 -0.86 0.00 0.00 30.24 28.06 3kk3 n GLN 85 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 3kk3 s ASP 86 N -1.33 5.00 0.00 2.61 -4.77 -1.26 -4.40 116.67 112.52 3kk3 s ASP 86 Ca 0.66 1.49 0.00 0.00 -3.30 0.00 0.00 52.55 51.40 3kk3 s ASP 86 Cb -0.38 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 38.94 3kk3 s ASP 86 CO 0.58 -2.38 0.07 2.22 0.70 0.00 0.00 175.17 176.36 3kk3 n PHE 87 N 13.57 0.00 1.16 2.11 -1.74 -1.26 -4.56 117.46 126.74 3kk3 n PHE 87 Ca 0.33 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.34 3kk3 n PHE 87 Cb 0.50 0.14 0.38 0.00 1.52 0.00 0.00 39.48 42.02 3kk3 n PHE 87 CO 0.00 0.00 0.00 -2.67 -0.56 0.00 0.00 176.76 173.53 3kk3 n TRP 88 N 0.00 0.00 -0.00 2.97 2.14 -1.26 -2.20 117.44 119.09 3kk3 n TRP 88 Ca 0.00 0.00 -0.00 0.00 2.07 0.00 0.00 57.50 59.57 3kk3 n TRP 88 Cb 0.35 -0.21 -0.00 0.00 -0.81 0.00 0.00 31.31 30.64 3kk3 n TRP 88 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3kk3 n GLU 89 N -1.09 0.97 0.05 -2.67 1.02 -1.26 -4.61 120.64 113.05 3kk3 n GLU 89 Ca 0.10 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.01 3kk3 n GLU 89 Cb 0.33 -1.01 -0.15 0.00 -0.02 0.00 0.00 31.44 30.60 3kk3 n GLU 89 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kk3 h VAL 90 N 0.00 1.06 0.00 2.62 2.07 -1.80 -3.37 116.25 116.83 3kk3 h VAL 90 Ca -0.01 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.01 3kk3 h VAL 90 Cb 1.02 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 33.60 3kk3 h VAL 90 CO -0.00 0.78 -2.01 0.00 0.02 0.00 0.00 177.57 176.36 3kk3 n GLN 91 N -3.78 0.66 -1.86 1.57 3.00 -1.18 -4.93 117.38 110.86 3kk3 n GLN 91 Ca -0.23 -0.19 -0.41 0.00 -0.01 0.00 0.00 57.00 56.15 3kk3 n GLN 91 Cb 0.99 -1.52 -0.01 0.00 0.00 0.00 0.00 30.24 29.70 3kk3 n GLN 91 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3kk3 s LEU 92 N -4.55 4.35 -0.06 1.08 0.20 -0.93 -4.93 118.68 113.84 3kk3 s LEU 92 Ca -0.08 2.92 0.19 0.00 0.69 0.00 0.00 54.13 57.85 3kk3 s LEU 92 Cb 0.14 -3.65 -0.24 0.00 -0.43 0.00 0.00 46.19 42.01 3kk3 s LEU 92 CO 0.90 -0.82 0.45 0.61 -0.29 0.00 0.00 176.35 177.20 3kk3 n GLY 93 N 1.32 -1.07 3.57 7.98 0.00 -1.26 -4.82 105.19 110.90 3kk3 n GLY 93 Ca 0.04 -0.33 -0.50 0.00 0.00 0.00 0.00 46.02 45.23 3kk3 n GLY 93 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kk3 n ILE 94 N -2.64 0.34 -2.44 -0.61 5.41 -1.26 -4.99 119.36 113.17 3kk3 n ILE 94 Ca -0.16 -0.21 -0.33 0.00 1.00 0.00 0.00 62.75 63.05 3kk3 n ILE 94 Cb 0.86 -1.76 -0.03 0.00 -0.71 0.00 0.00 39.64 38.00 3kk3 n ILE 94 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3kk3 s PRO 95 N 5.25 3.84 -0.46 0.38 0.04 -1.26 -5.04 135.00 137.74 3kk3 s PRO 95 Ca 1.02 1.14 -0.25 0.00 0.04 0.00 0.00 61.00 62.95 3kk3 s PRO 95 Cb -0.78 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 31.67 3kk3 s PRO 95 CO 0.51 -0.37 0.88 -1.58 0.04 0.00 0.00 177.00 176.47 3kk3 s HIS 96 N -2.35 2.94 -0.52 0.56 2.46 -1.26 -4.96 115.29 112.16 3kk3 s HIS 96 Ca 0.62 0.28 -0.26 0.00 0.47 0.00 0.00 55.06 56.18 3kk3 s HIS 96 Cb -0.12 -3.87 -0.08 0.00 -0.13 0.00 0.00 32.58 28.38 3kk3 s HIS 96 CO 0.26 -1.08 2.42 -0.35 -2.47 0.00 0.00 174.74 173.53 3kk3 n PRO 97 N 7.03 0.99 0.29 2.88 -0.04 -1.26 -4.75 135.00 140.14 3kk3 n PRO 97 Ca 0.05 -0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.52 3kk3 n PRO 97 Cb 0.48 -3.45 0.52 0.00 -0.04 0.00 0.00 33.50 31.01 3kk3 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kk3 h ALA 98 N 19.04 1.45 -0.01 0.55 0.00 -1.94 -1.57 119.26 136.77 3kk3 h ALA 98 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kk3 h ALA 98 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kk3 h ALA 98 CO 1.15 -0.45 -0.33 0.41 0.00 0.00 0.00 179.25 180.03 3kk3 n GLY 99 N -1.29 -0.11 0.23 0.00 0.00 -1.26 -3.99 105.19 98.77 3kk3 n GLY 99 Ca -0.01 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.51 3kk3 n GLY 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kk3 h LEU 100 N 2.19 0.00 -0.58 0.99 5.85 -1.60 0.95 115.31 123.11 3kk3 h LEU 100 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kk3 h LEU 100 Cb 0.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3kk3 h LEU 100 CO 0.00 0.14 0.00 0.07 -0.34 0.00 0.00 178.44 178.31 3kk3 h LYS 101 N 0.00 0.00 0.00 1.25 2.10 -1.76 -3.20 116.57 114.96 3kk3 h LYS 101 Ca -0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 3kk3 h LYS 101 Cb 0.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 3kk3 h LYS 101 CO 0.02 0.00 -0.73 0.87 -2.00 0.00 0.00 179.45 177.61 3kk3 h LYS 102 N 0.00 0.00 -7.05 0.07 1.57 -1.04 -3.29 116.57 106.84 3kk3 h LYS 102 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3kk3 h LYS 102 Cb 0.66 0.00 0.21 0.00 0.08 0.00 0.00 32.23 33.18 3kk3 h LYS 102 CO 0.00 0.12 -0.17 1.63 -0.57 0.00 0.00 179.45 180.45 3kk3 n LYS 103 N -2.90 -0.74 0.02 3.15 4.76 -1.09 -4.76 118.16 116.60 3kk3 n LYS 103 Ca -0.00 -0.16 -0.04 0.00 -2.87 0.00 0.00 58.31 55.23 3kk3 n LYS 103 Cb 0.62 -2.13 -0.03 0.00 -1.84 0.00 0.00 35.03 31.65 3kk3 n LYS 103 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3kk3 h LYS 104 N -1.90 -0.17 -6.40 1.97 1.63 -1.86 -3.32 116.57 106.52 3kk3 h LYS 104 Ca -0.46 0.01 -0.68 0.00 -0.85 0.00 0.00 60.65 58.67 3kk3 h LYS 104 Cb 1.29 0.04 -0.21 0.00 -0.60 0.00 0.00 32.23 32.75 3kk3 h LYS 104 CO 0.39 -0.02 -0.76 -1.12 -3.45 0.00 0.00 179.45 174.50 3kk3 s SER 105 N -5.41 4.17 -0.01 4.20 0.01 -0.75 -3.76 113.70 112.15 3kk3 s SER 105 Ca -0.04 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 56.98 3kk3 s SER 105 Cb 0.00 -0.85 -0.00 0.00 0.21 0.00 0.00 66.02 65.38 3kk3 s SER 105 CO 0.15 0.29 -0.07 -0.69 0.41 0.00 0.00 173.24 173.33 3kk3 s VAL 106 N -0.90 0.59 -0.00 3.43 1.01 -0.81 -1.24 120.40 122.47 3kk3 s VAL 106 Ca 0.15 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.88 3kk3 s VAL 106 Cb -0.11 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 3kk3 s VAL 106 CO 0.05 0.18 -0.12 -0.89 0.00 0.00 0.00 175.10 174.32 3kk3 s THR 107 N 0.04 3.26 -0.21 3.92 2.01 0.11 -3.38 115.64 121.38 3kk3 s THR 107 Ca -0.00 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 61.02 3kk3 s THR 107 Cb -0.05 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 3kk3 s THR 107 CO -0.00 0.44 0.23 -0.69 -0.69 0.00 0.00 174.62 173.92 3kk3 s VAL 108 N -0.89 5.32 -0.19 3.82 1.01 -1.25 -2.39 120.40 125.82 3kk3 s VAL 108 Ca 0.15 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.50 3kk3 s VAL 108 Cb -0.11 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.73 3kk3 s VAL 108 CO 0.05 0.34 -0.15 -0.22 0.00 0.00 0.00 175.10 175.12 3kk3 s LEU 109 N 0.95 2.35 -0.11 3.92 2.96 0.04 -4.01 118.68 124.77 3kk3 s LEU 109 Ca 0.12 -0.82 -0.24 0.00 -0.22 0.00 0.00 54.13 52.97 3kk3 s LEU 109 Cb -0.13 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 3kk3 s LEU 109 CO 0.04 -0.08 0.73 -0.62 -1.32 0.00 0.00 176.35 175.10 3kk3 s ASP 110 N 1.31 6.94 0.00 3.68 -1.08 -1.26 0.11 116.67 126.36 3kk3 s ASP 110 Ca 0.01 1.14 0.03 0.00 -0.52 0.00 0.00 52.55 53.21 3kk3 s ASP 110 Cb -0.15 -2.42 0.05 0.00 -1.46 0.00 0.00 42.92 38.94 3kk3 s ASP 110 CO -0.10 -0.22 0.87 1.33 0.52 0.00 0.00 175.17 177.57 3kk3 n VAL 111 N 4.19 0.00 0.05 1.11 0.24 -0.95 -4.90 118.33 118.06 3kk3 n VAL 111 Ca 0.00 -0.11 -0.01 0.00 -2.04 0.00 0.00 64.34 62.18 3kk3 n VAL 111 Cb 0.50 0.40 0.26 0.00 -1.47 0.00 0.00 33.84 33.54 3kk3 n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3kk3 h GLY 112 N 0.11 0.43 0.41 7.63 0.00 -1.89 -2.33 103.07 107.43 3kk3 h GLY 112 Ca -0.07 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3kk3 h GLY 112 CO -0.01 0.30 0.00 1.22 0.00 0.00 0.00 176.54 178.05 3kk3 n ASP 113 N -4.16 0.00 -0.75 0.19 8.00 -1.26 0.69 116.55 119.26 3kk3 n ASP 113 Ca -0.00 -0.26 0.09 0.00 0.71 0.00 0.00 54.79 55.32 3kk3 n ASP 113 Cb 0.36 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.56 3kk3 n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kk3 n ALA 114 N -0.70 2.44 0.23 2.24 0.00 -0.88 -4.36 120.51 119.48 3kk3 n ALA 114 Ca 0.02 -0.74 0.12 0.00 0.00 0.00 0.00 53.44 52.84 3kk3 n ALA 114 Cb 0.01 -0.60 0.11 0.00 0.00 0.00 0.00 19.45 18.97 3kk3 n ALA 114 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3kk3 h TYR 115 N 3.38 0.00 0.00 0.00 -1.99 0.08 -3.36 116.97 115.08 3kk3 h TYR 115 Ca 0.00 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 3kk3 h TYR 115 Cb 0.75 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.47 3kk3 h TYR 115 CO 0.06 0.00 -0.35 0.74 -0.00 0.00 0.00 178.16 178.61 3kk3 h PHE 116 N 0.00 0.00 -0.22 4.88 0.04 -1.74 -2.85 116.94 117.04 3kk3 h PHE 116 Ca 0.00 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 3kk3 h PHE 116 Cb 0.96 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.10 3kk3 h PHE 116 CO 0.00 0.35 0.69 0.66 -0.60 0.00 0.00 178.31 179.41 3kk3 h SER 117 N 0.00 0.00 -3.28 2.17 4.64 -1.88 -3.42 113.55 111.78 3kk3 h SER 117 Ca -0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.65 3kk3 h SER 117 Cb 0.83 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.61 3kk3 h SER 117 CO 0.05 0.00 -0.77 -0.69 -0.87 0.00 0.00 176.83 174.54 3kk3 s VAL 118 N -4.20 2.89 0.43 0.95 1.01 -1.08 -3.38 120.40 117.03 3kk3 s VAL 118 Ca -0.02 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 3kk3 s VAL 118 Cb 0.08 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 3kk3 s VAL 118 CO 0.27 0.47 1.28 -2.65 0.00 0.00 0.00 175.10 174.46 3kk3 n PRO 119 N 4.70 1.91 -3.89 2.72 -0.02 -1.26 -0.16 135.00 139.00 3kk3 n PRO 119 Ca -0.19 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.60 3kk3 n PRO 119 Cb 0.51 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 3kk3 n PRO 119 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kk3 s LEU 120 N -1.84 4.36 0.16 2.45 2.96 -0.97 -4.51 118.68 121.28 3kk3 s LEU 120 Ca 0.62 0.45 -0.24 0.00 -0.22 0.00 0.00 54.13 54.74 3kk3 s LEU 120 Cb -0.50 -2.06 -0.14 0.00 0.50 0.00 0.00 46.19 43.98 3kk3 s LEU 120 CO 0.57 0.40 0.46 -0.67 -1.32 0.00 0.00 176.35 175.79 3kk3 n ASP 121 N 2.05 -1.00 0.22 3.68 2.03 -1.26 -4.80 116.55 117.48 3kk3 n ASP 121 Ca -0.20 0.96 0.07 0.00 0.52 0.00 0.00 54.79 56.14 3kk3 n ASP 121 Cb 0.55 -0.80 0.53 0.00 -0.72 0.00 0.00 41.12 40.68 3kk3 n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3kk3 h GLU 122 N 0.93 0.00 -0.02 -0.67 4.57 -1.96 -2.86 114.58 114.57 3kk3 h GLU 122 Ca -0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3kk3 h GLU 122 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3kk3 h GLU 122 CO 0.49 0.22 -0.23 -0.25 -1.18 0.00 0.00 179.01 178.06 3kk3 n ASP 123 N -3.99 1.81 -0.00 1.04 8.00 -1.26 -4.03 116.55 118.12 3kk3 n ASP 123 Ca -0.02 -1.42 0.08 0.00 0.71 0.00 0.00 54.79 54.14 3kk3 n ASP 123 Cb 0.30 0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 3kk3 n ASP 123 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3kk3 n PHE 124 N 0.09 0.00 -0.28 1.24 7.35 -1.08 -4.52 117.46 120.27 3kk3 n PHE 124 Ca 0.13 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.88 3kk3 n PHE 124 Cb 0.44 -0.17 0.21 0.00 0.35 0.00 0.00 39.48 40.30 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 0.52 -0.50 -4.13 3.08 -1.69 -2.76 114.38 108.89 3kk3 h ARG 125 Ca 0.00 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.06 3kk3 h ARG 125 Cb 0.54 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 3kk3 h ARG 125 CO 0.00 0.34 0.34 1.57 -1.07 0.00 0.00 179.97 181.15 3kk3 h LYS 126 N 0.53 0.53 0.00 0.04 2.10 -1.86 0.02 116.57 117.93 3kk3 h LYS 126 Ca 0.44 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 59.05 3kk3 h LYS 126 Cb 0.65 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 31.85 3kk3 h LYS 126 CO -0.38 0.35 -0.04 1.88 -2.00 0.00 0.00 179.45 179.26 3kk3 h TYR 127 N 0.55 0.00 0.00 0.07 0.05 -1.82 -2.80 116.97 113.02 3kk3 h TYR 127 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 3kk3 h TYR 127 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 3kk3 h TYR 127 CO -0.00 0.04 0.00 0.25 -1.05 0.00 0.00 178.16 177.40 3kk3 n THR 128 N -3.20 0.00 -2.08 -2.88 -2.24 -0.01 -4.68 114.28 99.20 3kk3 n THR 128 Ca -0.01 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 3kk3 n THR 128 Cb 0.24 -0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.16 3kk3 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kk3 s ALA 129 N -2.00 3.37 0.10 6.98 0.00 -1.06 -4.51 121.76 124.64 3kk3 s ALA 129 Ca 0.27 1.25 -0.10 0.00 0.00 0.00 0.00 51.96 53.37 3kk3 s ALA 129 Cb 0.12 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3kk3 s ALA 129 CO 0.21 -0.75 0.24 -0.59 0.00 0.00 0.00 175.76 174.87 3kk3 s PHE 130 N -1.21 0.10 -0.12 0.00 -0.71 -0.45 -0.90 117.98 114.68 3kk3 s PHE 130 Ca 0.53 -0.51 0.00 0.00 -1.04 0.00 0.00 56.93 55.92 3kk3 s PHE 130 Cb -0.39 0.01 0.02 0.00 -1.21 0.00 0.00 43.02 41.45 3kk3 s PHE 130 CO 0.51 -0.59 -0.11 0.99 -1.34 0.00 0.00 175.22 174.67 3kk3 s THR 131 N -3.86 1.27 -0.16 -4.49 2.01 -1.26 -1.14 115.64 108.01 3kk3 s THR 131 Ca 0.06 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 3kk3 s THR 131 Cb 0.04 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 3kk3 s THR 131 CO -0.10 0.40 0.58 -0.63 -0.69 0.00 0.00 174.62 174.19 3kk3 s ILE 132 N 1.47 5.08 0.91 1.82 1.01 -0.89 -4.71 121.20 125.89 3kk3 s ILE 132 Ca 0.02 1.12 -0.12 0.00 0.00 0.00 0.00 60.65 61.68 3kk3 s ILE 132 Cb -0.13 -3.91 0.14 0.00 0.01 0.00 0.00 42.46 38.57 3kk3 s ILE 132 CO -0.07 0.20 1.10 -2.16 0.00 0.00 0.00 174.94 174.00 3kk3 s PRO 133 N 1.39 1.11 0.10 2.79 0.04 -1.26 -2.17 135.00 137.00 3kk3 s PRO 133 Ca 0.28 0.58 0.08 0.00 0.04 0.00 0.00 61.00 61.99 3kk3 s PRO 133 Cb -0.16 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3kk3 s PRO 133 CO 0.11 -2.28 -0.21 -1.54 0.04 0.00 0.00 177.00 173.12 3kk3 s SER 134 N -3.64 2.57 -0.02 6.66 1.04 -1.26 -4.90 113.70 114.15 3kk3 s SER 134 Ca 0.64 -0.69 -0.19 0.00 0.48 0.00 0.00 55.95 56.18 3kk3 s SER 134 Cb -0.17 -0.14 -0.05 0.00 0.10 0.00 0.00 66.02 65.76 3kk3 s SER 134 CO 0.56 0.06 0.55 0.27 0.98 0.00 0.00 173.24 175.67 3kk3 s ILE 135 N -1.15 4.96 -0.40 -1.02 -4.36 -1.26 -2.95 121.20 115.02 3kk3 s ILE 135 Ca 0.07 1.15 0.00 0.00 -0.26 0.00 0.00 60.65 61.61 3kk3 s ILE 135 Cb -0.10 -3.89 0.00 0.00 1.25 0.00 0.00 42.46 39.72 3kk3 s ILE 135 CO 0.04 0.43 0.00 -3.20 0.24 0.00 0.00 174.94 172.45 3kk3 n ASN 136 N 2.73 -5.27 -2.68 4.36 5.15 -1.26 -3.56 115.26 114.72 3kk3 n ASN 136 Ca -0.08 0.09 -0.18 0.00 -0.60 0.00 0.00 54.58 53.82 3kk3 n ASN 136 Cb 0.51 -3.10 0.05 0.00 -0.53 0.00 0.00 39.78 36.71 3kk3 n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3kk3 n ASN 137 N -0.76 -5.23 0.06 1.20 3.02 -1.15 -4.88 115.26 107.52 3kk3 n ASN 137 Ca -0.04 -0.35 -0.00 0.00 -0.03 0.00 0.00 54.58 54.16 3kk3 n ASN 137 Cb 0.43 -3.91 0.30 0.00 -0.61 0.00 0.00 39.78 35.99 3kk3 n ASN 137 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3kk3 h GLU 138 N -1.74 0.38 -5.33 3.52 4.81 -1.81 -3.43 114.58 110.98 3kk3 h GLU 138 Ca -0.42 -0.10 -0.49 0.00 -0.13 0.00 0.00 59.36 58.22 3kk3 h GLU 138 Cb 1.28 -0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.48 3kk3 h GLU 138 CO 0.43 0.52 -0.63 0.95 -0.73 0.00 0.00 179.01 179.55 3kk3 s THR 139 N -4.70 1.37 1.02 0.32 -4.23 -1.26 -5.12 115.64 103.04 3kk3 s THR 139 Ca -0.06 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.29 3kk3 s THR 139 Cb 0.15 -2.70 0.20 0.00 1.34 0.00 0.00 72.50 71.49 3kk3 s THR 139 CO 0.76 -0.10 1.08 -2.84 -0.54 0.00 0.00 174.62 172.98 3kk3 s PRO 140 N -3.83 0.21 0.44 3.99 0.02 -1.26 -4.62 135.00 129.95 3kk3 s PRO 140 Ca 0.34 0.67 -0.25 0.00 0.02 0.00 0.00 61.00 61.78 3kk3 s PRO 140 Cb 0.07 -1.70 -0.08 0.00 0.02 0.00 0.00 34.50 32.82 3kk3 s PRO 140 CO 0.14 -2.92 1.29 0.20 -0.33 0.00 0.00 177.00 175.39 3kk3 s GLY 141 N -3.19 2.89 -0.35 0.52 0.00 -1.26 -4.76 107.32 101.16 3kk3 s GLY 141 Ca 0.66 1.21 -0.12 0.00 0.00 0.00 0.00 44.72 46.47 3kk3 s GLY 141 CO 0.59 1.76 0.22 -0.42 0.00 0.00 0.00 173.10 175.24 3kk3 s ILE 142 N -1.32 4.90 -0.07 0.90 -1.09 -0.92 -4.95 121.20 118.65 3kk3 s ILE 142 Ca 0.61 -0.51 -0.05 0.00 -2.23 0.00 0.00 60.65 58.46 3kk3 s ILE 142 Cb -0.37 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 3kk3 s ILE 142 CO 0.46 -0.09 0.16 -0.13 -1.23 0.00 0.00 174.94 174.11 3kk3 s ARG 143 N 1.64 3.45 0.15 2.79 0.52 -1.26 -2.10 118.95 124.14 3kk3 s ARG 143 Ca 0.04 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.08 3kk3 s ARG 143 Cb -0.18 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 3kk3 s ARG 143 CO 0.08 0.73 -0.05 0.71 0.02 0.00 0.00 175.30 176.79 3kk3 s TYR 144 N -1.16 1.16 0.07 -0.53 2.02 -0.29 -0.75 117.35 117.87 3kk3 s TYR 144 Ca 0.20 -0.89 -0.04 0.00 -0.37 0.00 0.00 57.07 55.97 3kk3 s TYR 144 Cb -0.12 -0.64 -0.02 0.00 -0.40 0.00 0.00 41.96 40.77 3kk3 s TYR 144 CO 0.10 -0.08 0.07 -1.14 -1.57 0.00 0.00 175.55 172.93 3kk3 s GLN 145 N -3.83 0.74 -0.12 -0.62 0.74 -0.32 -1.35 119.66 114.90 3kk3 s GLN 145 Ca 0.18 -1.13 -0.05 0.00 0.05 0.00 0.00 55.36 54.41 3kk3 s GLN 145 Cb 0.05 0.27 -0.04 0.00 1.10 0.00 0.00 33.01 34.39 3kk3 s GLN 145 CO 0.01 -0.19 0.07 0.71 -0.55 0.00 0.00 175.29 175.34 3kk3 s TYR 146 N -3.91 3.36 -1.01 1.67 1.51 -1.26 -1.27 117.35 116.44 3kk3 s TYR 146 Ca 0.08 0.30 0.09 0.00 -1.01 0.00 0.00 57.07 56.53 3kk3 s TYR 146 Cb 0.07 -1.92 0.15 0.00 -0.11 0.00 0.00 41.96 40.15 3kk3 s TYR 146 CO -0.09 0.50 0.98 0.09 -1.11 0.00 0.00 175.55 175.92 3kk3 n ASN 147 N 2.43 2.22 -4.02 2.29 3.02 0.00 -4.61 115.26 116.59 3kk3 n ASN 147 Ca -0.19 -1.66 -0.08 0.00 -0.03 0.00 0.00 54.58 52.63 3kk3 n ASN 147 Cb 0.54 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.52 3kk3 n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kk3 s VAL 148 N -0.88 0.17 -0.24 2.41 -7.23 -1.25 -2.30 120.40 111.08 3kk3 s VAL 148 Ca 0.15 -1.41 -0.41 0.00 -1.81 0.00 0.00 61.98 58.50 3kk3 s VAL 148 Cb 0.09 -1.07 -0.17 0.00 0.56 0.00 0.00 36.38 35.80 3kk3 s VAL 148 CO 0.12 -0.78 1.64 0.18 -0.31 0.00 0.00 175.10 175.95 3kk3 n LEU 149 N 0.61 2.01 -4.80 1.32 4.77 0.78 -4.70 117.00 117.00 3kk3 n LEU 149 Ca -0.18 1.10 -0.37 0.00 -0.03 0.00 0.00 56.01 56.54 3kk3 n LEU 149 Cb 0.59 -1.10 -0.06 0.00 -2.33 0.00 0.00 43.42 40.52 3kk3 n LEU 149 CO 0.25 -0.64 0.47 -2.16 -1.33 0.00 0.00 177.39 173.97 3kk3 s PRO 150 N 2.86 4.36 0.07 3.23 0.04 -1.26 -4.00 135.00 140.31 3kk3 s PRO 150 Ca 0.97 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 3kk3 s PRO 150 Cb -1.12 -2.94 -0.06 0.00 0.04 0.00 0.00 34.50 30.42 3kk3 s PRO 150 CO 0.65 0.41 1.13 1.14 0.04 0.00 0.00 177.00 180.37 3kk3 s GLN 151 N -1.83 4.49 0.00 4.56 -2.07 -1.26 -2.95 119.66 120.61 3kk3 s GLN 151 Ca 0.43 1.69 0.00 0.00 -1.82 0.00 0.00 55.36 55.65 3kk3 s GLN 151 Cb -0.18 -3.35 0.00 0.00 -1.09 0.00 0.00 33.01 28.38 3kk3 s GLN 151 CO 0.22 -0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.46 3kk3 n GLY 152 N 2.90 2.93 3.77 2.60 0.00 -1.26 -4.56 105.19 111.58 3kk3 n GLY 152 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.63 3.90 -0.41 1.61 -0.00 -1.15 -4.63 118.94 115.62 3kk3 s TRP 153 Ca 0.00 1.63 0.23 0.00 -0.00 0.00 0.00 56.10 57.96 3kk3 s TRP 153 Cb 0.00 -2.77 0.29 0.00 -0.00 0.00 0.00 33.47 30.99 3kk3 s TRP 153 CO 0.00 0.50 1.50 1.57 -0.00 0.00 0.00 176.95 180.52 3kk3 h LYS 154 N 4.41 0.00 0.00 5.86 2.10 -1.93 -2.36 116.57 124.64 3kk3 h LYS 154 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3kk3 h LYS 154 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3kk3 h LYS 154 CO 0.66 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.52 3kk3 n GLY 155 N 1.13 -1.10 0.09 0.07 0.00 -1.26 -3.80 105.19 100.31 3kk3 n GLY 155 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 0.18 1.54 1.61 0.02 -1.71 -3.12 113.55 112.07 3kk3 h SER 156 Ca 0.00 -0.68 -0.02 0.00 -0.84 0.00 0.00 61.79 60.25 3kk3 h SER 156 Cb 0.29 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3kk3 h SER 156 CO 0.00 0.83 -0.10 1.55 -1.14 0.00 0.00 176.83 177.97 3kk3 h PRO 157 N -0.46 0.00 0.00 3.45 0.13 -1.76 -1.99 132.00 131.37 3kk3 h PRO 157 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3kk3 h PRO 157 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3kk3 h PRO 157 CO 0.03 0.10 0.00 0.00 -0.23 0.00 0.00 178.00 177.90 3kk3 n ALA 158 N -2.13 2.44 0.00 -0.56 0.00 -1.20 -2.91 120.51 116.15 3kk3 n ALA 158 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3kk3 n ALA 158 Cb 0.49 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3kk3 n ALA 158 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kk3 n ILE 159 N -0.93 0.00 0.80 0.00 5.41 -1.13 -4.65 119.36 118.87 3kk3 n ILE 159 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.92 3kk3 n ILE 159 Cb 0.08 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.90 3kk3 n ILE 159 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 3kk3 n PHE 160 N -2.77 0.00 -0.08 1.39 7.35 -0.76 -3.87 117.46 118.72 3kk3 n PHE 160 Ca 0.00 -0.16 -0.15 0.00 -0.76 0.00 0.00 57.45 56.39 3kk3 n PHE 160 Cb 0.43 -0.14 -0.09 0.00 0.35 0.00 0.00 39.48 40.03 3kk3 n PHE 160 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 3kk3 h GLN 161 N 0.28 0.00 -0.51 -4.13 4.15 -1.79 -0.26 115.11 112.85 3kk3 h GLN 161 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.52 3kk3 h GLN 161 Cb 0.56 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.15 3kk3 h GLN 161 CO 0.00 0.75 -0.22 0.66 -1.93 0.00 0.00 178.83 178.10 3kk3 h SER 162 N -1.00 -0.76 -0.10 -0.69 4.64 -1.89 1.72 113.55 115.47 3kk3 h SER 162 Ca -0.15 0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3kk3 h SER 162 Cb 0.95 0.42 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 3kk3 h SER 162 CO -0.09 -0.24 0.04 0.28 -0.87 0.00 0.00 176.83 175.94 3kk3 h SER 163 N -0.10 0.04 0.09 4.97 0.02 -1.81 -1.85 113.55 114.91 3kk3 h SER 163 Ca 0.24 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 3kk3 h SER 163 Cb 0.47 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 3kk3 h SER 163 CO -0.58 0.04 -0.20 -0.03 -1.14 0.00 0.00 176.83 174.92 3kk3 h MET 164 N 0.09 -0.36 -0.92 3.45 -1.53 0.12 0.28 114.93 116.06 3kk3 h MET 164 Ca 0.04 0.02 0.24 0.00 -3.44 0.00 0.00 59.70 56.56 3kk3 h MET 164 Cb 0.02 0.08 -0.06 0.00 -0.55 0.00 0.00 31.60 31.10 3kk3 h MET 164 CO -0.04 -0.24 0.63 1.79 0.14 0.00 0.00 176.91 179.19 3kk3 h THR 165 N -0.37 0.60 0.27 -0.77 1.35 0.25 -1.03 112.91 113.20 3kk3 h THR 165 Ca 0.03 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 3kk3 h THR 165 Cb 0.40 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 3kk3 h THR 165 CO -0.13 0.04 -0.13 0.11 -0.25 0.00 0.00 175.52 175.17 3kk3 h LYS 166 N 0.23 -0.34 0.00 4.72 1.57 -0.09 -3.32 116.57 119.32 3kk3 h LYS 166 Ca 0.47 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 3kk3 h LYS 166 Cb 1.45 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.84 3kk3 h LYS 166 CO -0.12 0.00 0.50 0.82 -0.57 0.00 0.00 179.45 180.08 3kk3 h ILE 167 N -0.91 0.00 -0.07 1.86 2.04 0.85 0.95 117.51 122.23 3kk3 h ILE 167 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3kk3 h ILE 167 Cb 0.50 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3kk3 h ILE 167 CO 0.06 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.39 3kk3 n LEU 168 N -2.29 1.88 -0.07 1.44 4.77 -1.21 -4.77 117.00 116.74 3kk3 n LEU 168 Ca -0.01 -1.28 -0.10 0.00 -0.03 0.00 0.00 56.01 54.59 3kk3 n LEU 168 Cb 0.52 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 3kk3 n LEU 168 CO 0.06 0.42 0.61 -0.08 -1.33 0.00 0.00 177.39 177.07 3kk3 h GLU 169 N 1.36 -0.34 0.00 3.23 4.57 0.85 0.32 114.58 124.58 3kk3 h GLU 169 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3kk3 h GLU 169 Cb 0.40 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3kk3 h GLU 169 CO 0.00 -0.22 0.00 -2.30 -1.18 0.00 0.00 179.01 175.31 3kk3 n PRO 170 N -5.42 0.00 -0.44 0.92 -0.02 -1.26 -1.57 135.00 127.21 3kk3 n PRO 170 Ca -0.01 0.28 0.37 0.00 -2.02 0.00 0.00 63.50 62.12 3kk3 n PRO 170 Cb 0.34 -1.19 0.65 0.00 -0.02 0.00 0.00 33.50 33.29 3kk3 n PRO 170 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3kk3 h PHE 171 N 0.00 0.57 0.41 6.00 3.04 -1.82 0.57 116.94 125.71 3kk3 h PHE 171 Ca 0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 3kk3 h PHE 171 Cb 0.00 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.38 3kk3 h PHE 171 CO 0.00 -0.27 -0.20 0.00 -2.02 0.00 0.00 178.31 175.82 3kk3 h ARG 172 N 0.05 -0.53 -0.67 1.11 3.08 -0.40 -2.74 114.38 114.28 3kk3 h ARG 172 Ca 0.85 0.04 0.12 0.00 0.07 0.00 0.00 59.98 61.05 3kk3 h ARG 172 Cb 2.62 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 32.70 3kk3 h ARG 172 CO -0.49 -0.23 0.24 -0.22 -1.07 0.00 0.00 179.97 178.20 3kk3 h LYS 173 N -0.99 0.38 0.00 0.04 3.64 0.10 0.25 116.57 119.99 3kk3 h LYS 173 Ca -0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3kk3 h LYS 173 Cb 0.55 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3kk3 h LYS 173 CO 0.09 0.25 0.00 1.04 -2.27 0.00 0.00 179.45 178.57 3kk3 n GLN 174 N -5.02 0.66 -2.88 1.90 1.13 0.68 -3.67 117.38 110.18 3kk3 n GLN 174 Ca 0.11 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.05 3kk3 n GLN 174 Cb 0.34 -1.14 0.04 0.00 0.11 0.00 0.00 30.24 29.58 3kk3 n GLN 174 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3kk3 n ASN 175 N -0.64 -1.55 0.00 1.08 3.02 0.86 -4.99 115.26 113.03 3kk3 n ASN 175 Ca 0.05 -3.36 0.00 0.00 -0.03 0.00 0.00 54.58 51.24 3kk3 n ASN 175 Cb 0.02 1.10 0.00 0.00 -0.61 0.00 0.00 39.78 40.29 3kk3 n ASN 175 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3kk3 n PRO 176 N 0.77 0.00 -2.56 3.52 -0.02 -1.16 -1.65 135.00 133.89 3kk3 n PRO 176 Ca 0.12 0.26 -0.18 0.00 -2.02 0.00 0.00 63.50 61.69 3kk3 n PRO 176 Cb 0.66 -1.56 0.02 0.00 -0.02 0.00 0.00 33.50 32.59 3kk3 n PRO 176 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3kk3 n ASP 177 N -1.23 3.11 -3.67 2.55 8.00 -1.26 -4.96 116.55 119.09 3kk3 n ASP 177 Ca 0.00 -3.21 -0.19 0.00 0.71 0.00 0.00 54.79 52.10 3kk3 n ASP 177 Cb 0.06 -0.49 -0.17 0.00 -0.02 0.00 0.00 41.12 40.50 3kk3 n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kk3 s ILE 178 N -4.35 -0.14 -0.16 0.53 1.01 -0.66 -4.72 121.20 112.72 3kk3 s ILE 178 Ca 0.38 0.41 -0.08 0.00 0.00 0.00 0.00 60.65 61.35 3kk3 s ILE 178 Cb 0.43 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.68 3kk3 s ILE 178 CO -0.07 0.17 0.13 0.54 0.00 0.00 0.00 174.94 175.71 3kk3 s VAL 179 N 2.16 5.41 -0.02 2.92 0.11 -1.18 -4.98 120.40 124.81 3kk3 s VAL 179 Ca 0.04 0.18 0.06 0.00 -2.93 0.00 0.00 61.98 59.33 3kk3 s VAL 179 Cb -0.12 -3.41 -0.01 0.00 -1.53 0.00 0.00 36.38 31.31 3kk3 s VAL 179 CO -0.04 0.53 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.43 3kk3 s ILE 180 N -0.33 1.65 -0.01 7.04 1.01 -1.26 -2.59 121.20 126.71 3kk3 s ILE 180 Ca 0.11 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3kk3 s ILE 180 Cb -0.12 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 40.98 3kk3 s ILE 180 CO 0.01 0.47 -0.02 -0.47 0.00 0.00 0.00 174.94 174.93 3kk3 s TYR 181 N -0.41 0.28 -0.51 3.97 5.04 0.60 -4.99 117.35 121.34 3kk3 s TYR 181 Ca 0.06 -0.03 -0.03 0.00 -2.44 0.00 0.00 57.07 54.62 3kk3 s TYR 181 Cb -0.09 -0.25 0.13 0.00 0.35 0.00 0.00 41.96 42.11 3kk3 s TYR 181 CO -0.00 -0.04 0.32 -1.14 -1.34 0.00 0.00 175.55 173.34 3kk3 s GLN 182 N 0.28 2.28 -0.46 4.97 0.74 -1.26 0.59 119.66 126.80 3kk3 s GLN 182 Ca -0.03 -2.15 -0.12 0.00 0.05 0.00 0.00 55.36 53.12 3kk3 s GLN 182 Cb -0.05 -3.66 0.09 0.00 1.10 0.00 0.00 33.01 30.49 3kk3 s GLN 182 CO -0.01 -1.12 0.34 -0.47 -0.55 0.00 0.00 175.29 173.48 3kk3 s TYR 183 N 0.59 3.32 0.00 1.67 5.04 -1.08 -5.04 117.35 121.85 3kk3 s TYR 183 Ca 0.12 -1.41 0.00 0.00 -2.44 0.00 0.00 57.07 53.34 3kk3 s TYR 183 Cb -0.22 -3.21 0.00 0.00 0.35 0.00 0.00 41.96 38.88 3kk3 s TYR 183 CO -0.04 -0.88 0.00 -1.33 -1.34 0.00 0.00 175.55 171.96 3kk3 n MET 184 N 5.03 0.00 -0.25 4.97 2.81 -1.26 -2.28 117.12 126.14 3kk3 n MET 184 Ca -0.11 0.00 0.32 0.00 -1.81 0.00 0.00 57.70 56.10 3kk3 n MET 184 Cb 0.42 0.00 0.73 0.00 -0.71 0.00 0.00 33.22 33.67 3kk3 n MET 184 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3kk3 h ASP 185 N 6.34 0.01 -3.07 7.83 3.45 -1.91 -3.42 116.42 125.65 3kk3 h ASP 185 Ca 0.00 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.90 3kk3 h ASP 185 Cb 0.00 -0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 3kk3 h ASP 185 CO 0.00 0.00 -0.32 -1.81 -1.57 0.00 0.00 179.24 175.54 3kk3 s ASP 186 N -5.41 6.45 -0.17 6.45 -0.00 -0.96 -2.25 116.67 120.77 3kk3 s ASP 186 Ca -0.05 0.53 0.01 0.00 -0.00 0.00 0.00 52.55 53.04 3kk3 s ASP 186 Cb 0.22 -2.06 0.02 0.00 -0.00 0.00 0.00 42.92 41.09 3kk3 s ASP 186 CO 0.79 0.02 -0.19 -0.22 -0.00 0.00 0.00 175.17 175.56 3kk3 s LEU 187 N -2.89 2.18 -0.35 1.23 2.96 0.29 -2.63 118.68 119.48 3kk3 s LEU 187 Ca 0.40 -0.62 -0.09 0.00 -0.22 0.00 0.00 54.13 53.60 3kk3 s LEU 187 Cb -0.12 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.11 3kk3 s LEU 187 CO 0.26 0.02 0.17 -0.31 -1.32 0.00 0.00 176.35 175.17 3kk3 s TYR 188 N 1.18 3.23 -0.06 5.38 1.51 0.20 -0.78 117.35 128.00 3kk3 s TYR 188 Ca 0.02 -1.01 0.02 0.00 -1.01 0.00 0.00 57.07 55.10 3kk3 s TYR 188 Cb -0.14 -2.38 0.01 0.00 -0.11 0.00 0.00 41.96 39.35 3kk3 s TYR 188 CO -0.10 -0.63 -0.12 0.08 -1.11 0.00 0.00 175.55 173.67 3kk3 s VAL 189 N 1.53 1.09 0.02 0.71 1.01 -1.01 -0.29 120.40 123.46 3kk3 s VAL 189 Ca 0.02 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 3kk3 s VAL 189 Cb -0.19 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.25 3kk3 s VAL 189 CO 0.05 0.34 0.46 -0.83 0.00 0.00 0.00 175.10 175.12 3kk3 s GLY 190 N 0.55 -0.33 0.17 4.51 0.00 -1.07 0.08 107.32 111.23 3kk3 s GLY 190 Ca -0.12 0.51 -0.02 0.00 0.00 0.00 0.00 44.72 45.10 3kk3 s GLY 190 CO 0.03 0.24 0.12 -1.35 0.00 0.00 0.00 173.10 172.14 3kk3 s SER 191 N -1.77 0.20 0.05 1.64 1.04 -0.38 -3.09 113.70 111.39 3kk3 s SER 191 Ca -0.07 -1.28 0.27 0.00 0.48 0.00 0.00 55.95 55.35 3kk3 s SER 191 Cb -0.01 0.35 0.84 0.00 0.10 0.00 0.00 66.02 67.30 3kk3 s SER 191 CO 0.01 -0.81 1.67 0.47 0.98 0.00 0.00 173.24 175.56 3kk3 n ASP 192 N -0.20 0.37 -3.82 7.02 8.00 -1.26 -1.80 116.55 124.86 3kk3 n ASP 192 Ca -0.02 0.24 -0.36 0.00 0.71 0.00 0.00 54.79 55.37 3kk3 n ASP 192 Cb 0.65 -0.24 0.03 0.00 -0.02 0.00 0.00 41.12 41.54 3kk3 n ASP 192 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kk3 n LEU 193 N -1.71 -4.45 -4.62 0.64 4.32 -1.26 -4.76 117.00 105.17 3kk3 n LEU 193 Ca 0.06 0.09 -0.31 0.00 -0.02 0.00 0.00 56.01 55.83 3kk3 n LEU 193 Cb 0.37 -0.61 0.17 0.00 -1.62 0.00 0.00 43.42 41.73 3kk3 n LEU 193 CO 0.31 -4.23 0.58 1.21 -1.22 0.00 0.00 177.39 174.05 3kk3 n GLU 194 N 2.38 -0.66 -0.29 3.23 2.13 -1.26 -4.74 120.64 121.42 3kk3 n GLU 194 Ca -0.02 -0.13 0.10 0.00 0.66 0.00 0.00 57.16 57.77 3kk3 n GLU 194 Cb 0.62 -2.31 0.26 0.00 0.27 0.00 0.00 31.44 30.28 3kk3 n GLU 194 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3kk3 h ILE 195 N -1.96 0.57 0.09 6.31 2.04 -1.98 -2.32 117.51 120.25 3kk3 h ILE 195 Ca -0.45 -0.16 -0.35 0.00 1.00 0.00 0.00 64.86 64.90 3kk3 h ILE 195 Cb 1.28 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3kk3 h ILE 195 CO 0.41 0.08 -1.98 0.61 0.00 0.00 0.00 178.15 177.27 3kk3 n GLY 196 N -1.33 -0.64 0.02 5.37 0.00 -1.26 -3.57 105.19 103.77 3kk3 n GLY 196 Ca 0.19 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.12 3kk3 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kk3 n GLN 197 N -3.36 0.14 0.22 1.61 10.64 -1.22 -2.91 117.38 122.49 3kk3 n GLN 197 Ca -0.30 -0.03 -0.10 0.00 -1.83 0.00 0.00 57.00 54.74 3kk3 n GLN 197 Cb 1.05 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.88 3kk3 n GLN 197 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 3kk3 h HIS 198 N 0.08 -0.57 -0.91 2.61 2.76 -1.54 -2.82 115.15 114.76 3kk3 h HIS 198 Ca 0.00 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.34 3kk3 h HIS 198 Cb 0.46 0.19 -0.17 0.00 1.55 0.00 0.00 27.41 29.44 3kk3 h HIS 198 CO 0.00 -0.32 -0.21 0.00 -1.30 0.00 0.00 177.93 176.10 3kk3 h ARG 199 N -1.13 0.00 -0.17 5.26 3.08 -1.59 0.75 114.38 120.58 3kk3 h ARG 199 Ca -0.06 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3kk3 h ARG 199 Cb 0.51 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3kk3 h ARG 199 CO 0.10 0.00 0.00 -2.37 -1.07 0.00 0.00 179.97 176.64 3kk3 n THR 200 N -5.57 0.22 -0.09 2.04 5.66 -1.15 -1.68 114.28 113.72 3kk3 n THR 200 Ca 0.14 -0.25 -0.08 0.00 -3.05 0.00 0.00 64.05 60.81 3kk3 n THR 200 Cb 0.47 0.13 -0.14 0.00 -1.55 0.00 0.00 70.33 69.24 3kk3 n THR 200 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3kk3 n LYS 201 N 0.02 1.10 -0.03 1.09 3.00 0.24 -3.88 118.16 119.71 3kk3 n LYS 201 Ca 0.10 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.31 58.28 3kk3 n LYS 201 Cb 0.19 -1.45 -0.07 0.00 0.00 0.00 0.00 35.03 33.70 3kk3 n LYS 201 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 3kk3 h ILE 202 N 0.00 1.28 -0.77 3.15 1.08 -0.78 -2.84 117.51 118.63 3kk3 h ILE 202 Ca -0.47 -0.91 0.20 0.00 -0.39 0.00 0.00 64.86 63.29 3kk3 h ILE 202 Cb 2.07 1.69 -0.04 0.00 -3.07 0.00 0.00 36.82 37.47 3kk3 h ILE 202 CO 0.03 0.26 0.54 -0.08 -0.69 0.00 0.00 178.15 178.20 3kk3 h GLU 203 N -0.13 0.14 -0.00 2.37 4.57 -1.52 0.50 114.58 120.51 3kk3 h GLU 203 Ca 0.03 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3kk3 h GLU 203 Cb 0.41 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3kk3 h GLU 203 CO 0.01 0.09 -0.09 0.39 -1.18 0.00 0.00 179.01 178.23 3kk3 n GLU 204 N -4.38 0.13 0.00 1.92 1.02 -1.09 -2.50 120.64 115.74 3kk3 n GLU 204 Ca 0.15 -0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.19 3kk3 n GLU 204 Cb 0.74 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.53 3kk3 n GLU 204 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3kk3 h LEU 205 N 0.06 0.00 -2.00 -4.62 5.85 0.20 -3.06 115.31 111.74 3kk3 h LEU 205 Ca 0.00 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.83 3kk3 h LEU 205 Cb 0.45 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3kk3 h LEU 205 CO 0.00 1.01 0.29 0.03 -0.34 0.00 0.00 178.44 179.42 3kk3 h ARG 206 N 0.00 0.00 0.17 1.25 3.08 -1.11 0.21 114.38 117.99 3kk3 h ARG 206 Ca -0.20 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.52 3kk3 h ARG 206 Cb 1.94 0.00 0.01 0.00 0.08 0.00 0.00 29.97 32.00 3kk3 h ARG 206 CO 0.10 0.00 -1.62 1.96 -1.07 0.00 0.00 179.97 179.33 3kk3 h GLN 207 N 0.00 0.37 0.00 0.04 1.08 -1.61 2.09 115.11 117.08 3kk3 h GLN 207 Ca 0.19 -0.63 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 3kk3 h GLN 207 Cb 0.76 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 3kk3 h GLN 207 CO -0.00 1.30 0.00 1.58 -0.95 0.00 0.00 178.83 180.76 3kk3 n HIS 208 N -3.70 0.00 0.00 2.96 -0.00 -0.97 -2.62 115.22 110.89 3kk3 n HIS 208 Ca -0.24 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.94 3kk3 n HIS 208 Cb 1.03 -0.38 0.00 0.00 -0.12 0.00 0.00 29.99 30.51 3kk3 n HIS 208 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 3kk3 n LEU 209 N -1.38 0.12 -0.55 0.27 7.94 0.69 -4.60 117.00 119.48 3kk3 n LEU 209 Ca 0.03 0.07 0.46 0.00 -1.11 0.00 0.00 56.01 55.45 3kk3 n LEU 209 Cb 0.07 -0.38 0.80 0.00 0.53 0.00 0.00 43.42 44.43 3kk3 n LEU 209 CO 0.06 -0.38 1.43 -0.07 -1.11 0.00 0.00 177.39 177.31 3kk3 h LEU 210 N 0.00 0.00 -1.60 -1.96 4.07 0.34 2.75 115.31 118.91 3kk3 h LEU 210 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 3kk3 h LEU 210 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3kk3 h LEU 210 CO 0.00 -0.00 -0.07 0.03 -1.08 0.00 0.00 178.44 177.32 3kk3 h ARG 211 N 0.00 0.16 0.00 1.13 3.08 -1.73 -3.15 114.38 113.87 3kk3 h ARG 211 Ca 0.79 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.81 3kk3 h ARG 211 Cb 3.17 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 33.19 3kk3 h ARG 211 CO -0.01 0.25 0.00 0.91 -1.07 0.00 0.00 179.97 180.05 3kk3 n TRP 212 N -4.36 0.00 0.00 3.04 8.01 0.90 -5.14 117.44 119.89 3kk3 n TRP 212 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 3kk3 n TRP 212 Cb 0.20 -0.20 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 3kk3 n TRP 212 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kk3 n GLY 213 N 2.19 4.49 1.10 6.99 0.00 0.05 -5.12 105.19 114.88 3kk3 n GLY 213 Ca 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 46.02 44.70 3kk3 n GLY 213 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kk3 n LEU 214 N 0.00 -0.16 -4.74 0.99 0.00 -1.26 -4.81 117.00 107.02 3kk3 n LEU 214 Ca 0.00 -1.85 -0.31 0.00 0.00 0.00 0.00 56.01 53.85 3kk3 n LEU 214 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.34 3kk3 n LEU 214 CO 0.00 1.03 -0.24 -0.31 0.00 0.00 0.00 177.39 177.87 3kk3 s TYR 232 N 0.00 2.02 0.75 1.96 4.12 -1.26 -4.82 117.35 120.12 3kk3 s TYR 232 Ca 0.12 -0.87 -0.12 0.00 0.02 0.00 0.00 57.07 56.21 3kk3 s TYR 232 Cb 0.13 -1.68 0.04 0.00 -1.52 0.00 0.00 41.96 38.94 3kk3 s TYR 232 CO -0.06 0.24 1.10 -1.83 0.02 0.00 0.00 175.55 175.02 3kk3 s GLU 233 N -3.87 2.34 -0.30 -0.62 -1.05 -1.26 -3.79 118.70 110.16 3kk3 s GLU 233 Ca 0.15 1.27 -0.18 0.00 -0.15 0.00 0.00 54.97 56.06 3kk3 s GLU 233 Cb 0.03 -1.90 0.17 0.00 -0.44 0.00 0.00 34.13 31.99 3kk3 s GLU 233 CO 0.08 -1.59 1.24 -1.17 0.95 0.00 0.00 175.26 174.77 3kk3 s LEU 234 N -5.64 -0.07 -0.32 1.83 2.96 -1.22 -4.94 118.68 111.29 3kk3 s LEU 234 Ca 0.63 0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 54.51 3kk3 s LEU 234 Cb -0.19 1.06 0.01 0.00 0.50 0.00 0.00 46.19 47.58 3kk3 s LEU 234 CO 0.52 -0.01 0.12 -1.00 -1.32 0.00 0.00 176.35 174.65 3kk3 s HIS 235 N 2.97 3.19 -0.01 5.38 3.76 -1.26 -1.93 115.29 127.38 3kk3 s HIS 235 Ca -0.10 -0.99 -0.23 0.00 -0.15 0.00 0.00 55.06 53.59 3kk3 s HIS 235 Cb -0.08 -2.30 -0.14 0.00 1.11 0.00 0.00 32.58 31.16 3kk3 s HIS 235 CO -0.07 -0.60 1.04 -1.00 -0.85 0.00 0.00 174.74 173.26 3kk3 h PRO 236 N 8.28 -0.58 -1.51 8.40 0.13 -1.77 -3.30 132.00 141.66 3kk3 h PRO 236 Ca -0.29 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3kk3 h PRO 236 Cb 1.12 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3kk3 h PRO 236 CO 0.62 -0.28 0.00 -3.47 -0.23 0.00 0.00 178.00 174.64 3kk3 n ASP 237 N -5.20 1.91 -2.78 1.44 4.64 -1.24 -2.65 116.55 112.67 3kk3 n ASP 237 Ca -0.10 -1.24 -0.01 0.00 -1.38 0.00 0.00 54.79 52.07 3kk3 n ASP 237 Cb 0.29 -0.34 0.08 0.00 -1.04 0.00 0.00 41.12 40.11 3kk3 n ASP 237 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3kk3 n LYS 238 N 0.86 1.59 -1.08 -0.67 5.02 -1.24 -4.88 118.16 117.76 3kk3 n LYS 238 Ca 0.00 -2.71 -0.22 0.00 -2.02 0.00 0.00 58.31 53.35 3kk3 n LYS 238 Cb 0.29 -0.90 0.14 0.00 -0.02 0.00 0.00 35.03 34.53 3kk3 n LYS 238 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3kk3 n TRP 239 N -0.92 2.65 -0.27 2.13 8.01 -1.09 -5.05 117.44 122.90 3kk3 n TRP 239 Ca -0.01 -1.88 -0.10 0.00 -1.31 0.00 0.00 57.50 54.19 3kk3 n TRP 239 Cb 0.83 -0.95 -0.01 0.00 -2.01 0.00 0.00 31.31 29.17 3kk3 n TRP 239 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.69 174.31 3kk3 n THR 240 N -0.83 0.19 -1.73 -0.99 5.66 -1.26 -4.83 114.28 110.50 3kk3 n THR 240 Ca 0.52 -0.05 -0.39 0.00 -3.05 0.00 0.00 64.05 61.08 3kk3 n THR 240 Cb 1.32 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 70.14 3kk3 n THR 240 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3kk3 n VAL 241 N 0.14 3.62 -4.00 1.08 0.31 -1.26 -4.69 118.33 113.53 3kk3 n VAL 241 Ca 0.04 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.51 3kk3 n VAL 241 Cb 0.03 -1.61 -0.12 0.00 -0.91 0.00 0.00 33.84 31.23 3kk3 n VAL 241 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3kk3 s GLN 242 N -2.77 3.66 0.74 5.55 2.00 -0.81 -4.97 119.66 123.06 3kk3 s GLN 242 Ca 0.70 -0.50 -0.11 0.00 -2.00 0.00 0.00 55.36 53.46 3kk3 s GLN 242 Cb -0.43 -3.15 0.04 0.00 0.80 0.00 0.00 33.01 30.27 3kk3 s GLN 242 CO 0.50 -0.01 1.08 -2.14 -0.50 0.00 0.00 175.29 174.22 3kk3 s PRO 243 N 1.08 2.55 -0.21 1.67 0.02 -1.26 -4.59 135.00 134.27 3kk3 s PRO 243 Ca 0.03 0.85 -0.14 0.00 0.02 0.00 0.00 61.00 61.75 3kk3 s PRO 243 Cb -0.14 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 3kk3 s PRO 243 CO 0.02 -1.34 0.33 0.42 -0.33 0.00 0.00 177.00 176.10 3kk3 s ILE 244 N -3.08 5.25 0.14 2.83 1.09 -1.26 -5.06 121.20 121.11 3kk3 s ILE 244 Ca 0.59 0.56 0.11 0.00 -1.10 0.00 0.00 60.65 60.81 3kk3 s ILE 244 Cb -0.14 -3.66 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 3kk3 s ILE 244 CO 0.55 0.29 -0.26 0.54 -0.10 0.00 0.00 174.94 175.96 3kk3 s VAL 245 N 1.16 2.24 -0.08 2.92 0.11 -1.26 -4.90 120.40 120.59 3kk3 s VAL 245 Ca 0.16 -1.79 0.04 0.00 -2.93 0.00 0.00 61.98 57.45 3kk3 s VAL 245 Cb -0.14 -1.99 -0.02 0.00 -1.53 0.00 0.00 36.38 32.70 3kk3 s VAL 245 CO 0.07 0.05 -0.19 -0.76 -3.33 0.00 0.00 175.10 170.94 3kk3 s LEU 246 N -2.15 2.43 -0.09 2.54 1.43 -1.26 -4.89 118.68 116.69 3kk3 s LEU 246 Ca 0.15 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 3kk3 s LEU 246 Cb -0.10 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3kk3 s LEU 246 CO 0.06 0.24 1.42 -2.16 0.23 0.00 0.00 176.35 176.15 3kk3 s PRO 247 N -0.14 4.23 0.11 1.29 0.04 -1.26 -5.01 135.00 134.26 3kk3 s PRO 247 Ca -0.03 1.89 -0.20 0.00 0.04 0.00 0.00 61.00 62.71 3kk3 s PRO 247 Cb -0.14 -3.80 -0.07 0.00 0.04 0.00 0.00 34.50 30.53 3kk3 s PRO 247 CO 0.04 -0.72 0.62 -1.83 0.04 0.00 0.00 177.00 175.15 3kk3 s GLU 248 N 3.44 4.27 0.02 4.56 1.03 -1.26 -5.08 118.70 125.68 3kk3 s GLU 248 Ca 0.63 0.82 -0.01 0.00 0.03 0.00 0.00 54.97 56.44 3kk3 s GLU 248 Cb -0.27 -3.20 -0.02 0.00 -0.80 0.00 0.00 34.13 29.84 3kk3 s GLU 248 CO 0.22 0.60 -0.01 0.15 -1.33 0.00 0.00 175.26 174.89 3kk3 s LYS 249 N -1.24 0.35 0.15 -4.83 1.02 -1.26 -5.04 119.74 108.90 3kk3 s LYS 249 Ca 0.32 -0.60 0.07 0.00 0.02 0.00 0.00 55.97 55.78 3kk3 s LYS 249 Cb -0.20 0.13 -0.08 0.00 -0.52 0.00 0.00 37.83 37.16 3kk3 s LYS 249 CO 0.21 -0.06 1.35 0.22 -0.92 0.00 0.00 175.35 176.15 3kk3 h ASP 250 N 4.55 0.02 -3.55 2.83 3.58 -2.05 -3.44 116.42 118.36 3kk3 h ASP 250 Ca -0.32 -0.02 -0.50 0.00 0.42 0.00 0.00 57.03 56.61 3kk3 h ASP 250 Cb 1.21 -0.01 -0.33 0.00 1.72 0.00 0.00 39.33 41.92 3kk3 h ASP 250 CO 0.42 0.92 -0.81 -0.55 -2.88 0.00 0.00 179.24 176.34 3kk3 s SER 251 N -6.76 1.68 0.18 2.28 0.15 -1.26 -5.07 113.70 104.91 3kk3 s SER 251 Ca 0.00 -0.28 0.06 0.00 0.70 0.00 0.00 55.95 56.43 3kk3 s SER 251 Cb 0.11 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.68 3kk3 s SER 251 CO 0.81 0.05 0.11 0.26 1.20 0.00 0.00 173.24 175.67 3kk3 s TRP 252 N 0.52 3.08 0.40 3.44 0.52 -1.26 -5.07 118.94 120.57 3kk3 s TRP 252 Ca -0.11 -0.06 0.06 0.00 0.02 0.00 0.00 56.10 56.01 3kk3 s TRP 252 Cb -0.14 -1.46 -0.07 0.00 -1.15 0.00 0.00 33.47 30.65 3kk3 s TRP 252 CO 0.03 0.52 0.02 0.95 0.02 0.00 0.00 176.95 178.49 3kk3 s THR 253 N -1.81 1.70 0.20 2.01 -4.23 -1.26 -1.89 115.64 110.36 3kk3 s THR 253 Ca 0.31 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.71 3kk3 s THR 253 Cb -0.10 -2.85 0.13 0.00 1.34 0.00 0.00 72.50 71.03 3kk3 s THR 253 CO 0.23 0.00 1.76 0.58 -0.54 0.00 0.00 174.62 176.65 3kk3 h VAL 254 N 1.79 0.84 -0.38 2.29 2.07 -1.22 0.50 116.25 122.15 3kk3 h VAL 254 Ca -0.43 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 3kk3 h VAL 254 Cb 1.25 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3kk3 h VAL 254 CO 0.77 0.08 -0.11 -1.13 0.02 0.00 0.00 177.57 177.21 3kk3 h ASN 255 N 0.47 0.64 -0.38 0.57 -0.00 -1.40 -0.41 115.58 115.07 3kk3 h ASN 255 Ca 0.29 -0.18 -0.11 0.00 -0.00 0.00 0.00 56.30 56.30 3kk3 h ASN 255 Cb 0.29 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.43 3kk3 h ASN 255 CO -0.25 0.79 -0.18 0.44 -0.00 0.00 0.00 177.43 178.22 3kk3 h ASP 256 N 0.60 0.81 0.11 1.15 3.45 -1.70 -2.06 116.42 118.79 3kk3 h ASP 256 Ca 0.11 -0.40 -0.13 0.00 0.43 0.00 0.00 57.03 57.04 3kk3 h ASP 256 Cb 0.54 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 3kk3 h ASP 256 CO 0.03 1.04 -0.44 0.40 -1.57 0.00 0.00 179.24 178.70 3kk3 h ILE 257 N 0.59 1.32 0.00 0.35 2.04 -0.74 -1.04 117.51 120.02 3kk3 h ILE 257 Ca 0.08 -1.62 -0.12 0.00 1.00 0.00 0.00 64.86 64.21 3kk3 h ILE 257 Cb 0.73 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 3kk3 h ILE 257 CO 0.06 0.49 -0.56 1.56 0.00 0.00 0.00 178.15 179.70 3kk3 h GLN 258 N 0.33 0.00 0.02 2.37 4.20 -0.98 0.25 115.11 121.30 3kk3 h GLN 258 Ca 0.02 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.48 3kk3 h GLN 258 Cb 0.91 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.70 3kk3 h GLN 258 CO 0.08 0.56 -1.04 0.87 -0.67 0.00 0.00 178.83 178.63 3kk3 h LYS 259 N 0.00 0.59 -0.33 1.46 1.57 -1.25 -2.59 116.57 116.03 3kk3 h LYS 259 Ca -0.01 -0.66 -0.00 0.00 -1.87 0.00 0.00 60.65 58.11 3kk3 h LYS 259 Cb 1.03 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 3kk3 h LYS 259 CO 0.07 1.26 0.21 1.25 -0.57 0.00 0.00 179.45 181.67 3kk3 h LEU 260 N 0.32 0.39 -2.13 2.94 5.85 -0.84 -1.46 115.31 120.38 3kk3 h LEU 260 Ca -0.12 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3kk3 h LEU 260 Cb 1.70 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.63 3kk3 h LEU 260 CO 0.20 0.31 -0.02 0.58 -0.34 0.00 0.00 178.44 179.17 3kk3 h VAL 261 N 0.43 0.09 0.11 1.05 2.07 -0.56 -2.46 116.25 116.98 3kk3 h VAL 261 Ca 0.12 -0.32 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 3kk3 h VAL 261 Cb -0.01 1.29 0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3kk3 h VAL 261 CO -0.02 0.02 -0.70 1.23 0.02 0.00 0.00 177.57 178.12 3kk3 h GLY 262 N 1.07 0.31 0.68 2.17 0.00 -0.94 -2.73 103.07 103.63 3kk3 h GLY 262 Ca -0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.53 3kk3 h GLY 262 CO 0.00 0.67 -0.27 1.70 0.00 0.00 0.00 176.54 178.65 3kk3 h LYS 263 N -0.42 -0.73 -0.96 4.80 3.64 -1.11 -2.91 116.57 118.88 3kk3 h LYS 263 Ca -0.12 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.45 3kk3 h LYS 263 Cb 1.54 0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 33.44 3kk3 h LYS 263 CO 0.13 -0.43 0.61 -0.07 -2.27 0.00 0.00 179.45 177.42 3kk3 h LEU 264 N -1.09 0.78 -0.19 5.20 3.38 -1.61 0.13 115.31 121.91 3kk3 h LEU 264 Ca -0.08 0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3kk3 h LEU 264 Cb 0.64 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 3kk3 h LEU 264 CO 0.13 0.38 -0.41 -1.13 0.09 0.00 0.00 178.44 177.50 3kk3 h ASN 265 N 0.82 -1.30 0.77 -0.43 -1.24 -1.48 0.01 115.58 112.72 3kk3 h ASN 265 Ca 0.49 0.18 -0.04 0.00 0.71 0.00 0.00 56.30 57.64 3kk3 h ASN 265 Cb 0.67 0.54 0.01 0.00 0.73 0.00 0.00 38.32 40.27 3kk3 h ASN 265 CO -0.26 -0.41 -0.37 -0.25 -1.29 0.00 0.00 177.43 174.86 3kk3 h TRP 266 N -0.45 -0.96 -0.75 0.67 7.01 -0.87 -2.06 115.95 118.54 3kk3 h TRP 266 Ca 0.09 -0.02 0.22 0.00 2.11 0.00 0.00 58.89 61.29 3kk3 h TRP 266 Cb 0.61 0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 27.96 3kk3 h TRP 266 CO -0.51 -0.60 1.01 0.00 -2.79 0.00 0.00 178.44 175.56 3kk3 h ALA 267 N -1.45 2.63 0.00 2.65 0.00 -0.74 0.34 119.26 122.69 3kk3 h ALA 267 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kk3 h ALA 267 Cb 0.79 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kk3 h ALA 267 CO 0.17 -1.40 0.00 -1.13 0.00 0.00 0.00 179.25 176.90 3kk3 n SER 268 N -3.22 0.00 -0.03 0.00 3.41 -0.02 -0.57 113.62 113.19 3kk3 n SER 268 Ca 0.16 -0.81 0.06 0.00 -0.26 0.00 0.00 58.87 58.02 3kk3 n SER 268 Cb 1.25 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 65.05 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 -0.79 0.68 -0.03 4.33 6.02 0.12 -4.33 117.38 123.38 3kk3 n GLN 269 Ca 0.08 -0.14 -0.12 0.00 -0.01 0.00 0.00 57.00 56.81 3kk3 n GLN 269 Cb 0.04 -1.46 -0.14 0.00 1.02 0.00 0.00 30.24 29.69 3kk3 n GLN 269 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3kk3 n ILE 270 N -2.28 1.62 -4.05 5.09 5.41 -0.33 -4.80 119.36 120.03 3kk3 n ILE 270 Ca -0.09 -0.76 -0.32 0.00 1.00 0.00 0.00 62.75 62.58 3kk3 n ILE 270 Cb 0.63 -1.15 -0.16 0.00 -0.71 0.00 0.00 39.64 38.25 3kk3 n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3kk3 s TYR 271 N -2.57 2.71 0.39 1.39 1.51 0.26 -4.96 117.35 116.08 3kk3 s TYR 271 Ca -0.11 -1.76 0.12 0.00 -1.01 0.00 0.00 57.07 54.32 3kk3 s TYR 271 Cb 0.07 -1.79 0.81 0.00 -0.11 0.00 0.00 41.96 40.95 3kk3 s TYR 271 CO 0.80 -0.79 1.89 -1.35 -1.11 0.00 0.00 175.55 175.00 3kk3 h PRO 272 N 7.92 0.07 0.00 -1.71 0.11 -1.85 -3.23 132.00 133.31 3kk3 h PRO 272 Ca -0.32 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 3kk3 h PRO 272 Cb 1.10 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3kk3 h PRO 272 CO 0.52 0.33 -0.84 0.78 -0.21 0.00 0.00 178.00 178.58 3kk3 h GLY 273 N 0.84 0.00 -6.65 -0.55 0.00 -1.95 -3.46 103.07 91.29 3kk3 h GLY 273 Ca 0.01 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.60 3kk3 h GLY 273 CO 0.03 0.00 1.07 1.39 0.00 0.00 0.00 176.54 179.03 3kk3 n ILE 274 N -2.97 0.21 -4.26 2.60 2.08 -1.22 -4.95 119.36 110.84 3kk3 n ILE 274 Ca -0.02 -0.09 -0.30 0.00 0.56 0.00 0.00 62.75 62.90 3kk3 n ILE 274 Cb 0.70 -1.15 -0.10 0.00 -0.75 0.00 0.00 39.64 38.34 3kk3 n ILE 274 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 3kk3 s LYS 275 N 4.49 2.26 -0.04 0.38 2.20 -1.26 -4.82 119.74 122.95 3kk3 s LYS 275 Ca 1.05 -0.95 0.05 0.00 -0.36 0.00 0.00 55.97 55.76 3kk3 s LYS 275 Cb -1.13 -2.37 0.08 0.00 -1.51 0.00 0.00 37.83 32.91 3kk3 s LYS 275 CO 0.64 0.53 0.93 1.33 -0.36 0.00 0.00 175.35 178.41 3kk3 n VAL 276 N 0.84 0.77 0.15 4.02 0.24 -1.26 -4.86 118.33 118.23 3kk3 n VAL 276 Ca -0.13 -0.87 0.01 0.00 -2.04 0.00 0.00 64.34 61.30 3kk3 n VAL 276 Cb 0.52 0.41 0.19 0.00 -1.47 0.00 0.00 33.84 33.50 3kk3 n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3kk3 h ARG 277 N 0.00 0.00 0.00 7.34 1.12 -1.99 -2.14 114.38 118.71 3kk3 h ARG 277 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.65 3kk3 h ARG 277 Cb 0.97 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.90 3kk3 h ARG 277 CO 0.00 0.55 -1.12 1.96 -3.11 0.00 0.00 179.97 178.25 3kk3 h GLN 278 N 0.00 0.00 0.00 0.20 1.08 -1.93 -3.32 115.11 111.14 3kk3 h GLN 278 Ca -0.01 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.02 3kk3 h GLN 278 Cb 1.11 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.52 3kk3 h GLN 278 CO 0.07 0.82 -0.85 -0.07 -0.95 0.00 0.00 178.83 177.85 3kk3 h LEU 279 N 0.00 0.00 -0.34 1.46 3.38 -1.84 -3.22 115.31 114.75 3kk3 h LEU 279 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kk3 h LEU 279 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 3kk3 h LEU 279 CO 0.11 0.85 0.00 -1.20 0.09 0.00 0.00 178.44 178.29 3kk3 n SER 280 N -3.50 0.72 -0.38 -0.43 7.64 -0.83 -2.75 113.62 114.10 3kk3 n SER 280 Ca -0.00 0.62 0.11 0.00 1.01 0.00 0.00 58.87 60.60 3kk3 n SER 280 Cb 0.82 -0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 3kk3 n SER 280 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kk3 n LYS 281 N -2.23 0.91 0.23 1.43 5.02 -1.22 -3.35 118.16 118.95 3kk3 n LYS 281 Ca 0.04 -0.75 0.10 0.00 -2.02 0.00 0.00 58.31 55.67 3kk3 n LYS 281 Cb 0.33 -1.48 0.50 0.00 -0.02 0.00 0.00 35.03 34.35 3kk3 n LYS 281 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kk3 h LEU 282 N 1.84 0.00 -4.60 -0.35 3.38 -1.58 -3.24 115.31 110.77 3kk3 h LEU 282 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3kk3 h LEU 282 Cb 0.69 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.32 3kk3 h LEU 282 CO 0.00 0.23 0.74 0.18 0.09 0.00 0.00 178.44 179.67 3kk3 n LEU 283 N -3.48 6.55 -4.52 1.67 4.77 -1.21 -4.90 117.00 115.89 3kk3 n LEU 283 Ca -0.00 -3.98 -0.42 0.00 -0.03 0.00 0.00 56.01 51.58 3kk3 n LEU 283 Cb 0.40 -1.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 3kk3 n LEU 283 CO 0.33 1.80 1.18 -0.60 -1.33 0.00 0.00 177.39 178.77 3kk3 s ARG 284 N -0.65 3.43 0.46 3.23 3.52 -1.23 -4.85 118.95 122.87 3kk3 s ARG 284 Ca 0.61 -1.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 3kk3 s ARG 284 Cb 0.32 -4.83 0.00 0.00 -1.56 0.00 0.00 34.95 28.89 3kk3 s ARG 284 CO -0.13 -2.04 0.00 0.41 -0.81 0.00 0.00 175.30 172.73 3kk3 n GLY 285 N 6.00 -1.86 2.88 8.12 0.00 -1.26 -4.76 105.19 114.32 3kk3 n GLY 285 Ca 0.19 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3kk3 n GLY 285 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kk3 n THR 286 N 0.00 4.81 -2.02 2.61 -2.24 -1.26 -4.99 114.28 111.18 3kk3 n THR 286 Ca 0.00 -4.99 -0.34 0.00 -2.27 0.00 0.00 64.05 56.45 3kk3 n THR 286 Cb 0.00 -2.22 0.02 0.00 -2.10 0.00 0.00 70.33 66.03 3kk3 n THR 286 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kk3 s LYS 287 N -0.98 3.12 0.60 -0.78 -0.14 -1.26 -5.02 119.74 115.28 3kk3 s LYS 287 Ca 0.37 1.46 -0.14 0.00 -1.36 0.00 0.00 55.97 56.30 3kk3 s LYS 287 Cb 0.09 -1.99 -0.04 0.00 -1.68 0.00 0.00 37.83 34.21 3kk3 s LYS 287 CO 0.03 -1.01 1.03 0.00 -0.76 0.00 0.00 175.35 174.65 3kk3 s ALA 288 N -2.10 2.88 0.40 5.17 0.00 -1.26 -4.96 121.76 121.89 3kk3 s ALA 288 Ca 0.69 0.18 0.10 0.00 0.00 0.00 0.00 51.96 52.92 3kk3 s ALA 288 Cb -0.21 -3.16 0.82 0.00 0.00 0.00 0.00 23.12 20.57 3kk3 s ALA 288 CO 0.34 -0.72 1.94 -0.07 0.00 0.00 0.00 175.76 177.25 3kk3 h LEU 289 N 0.17 0.22 -1.79 0.00 4.07 -1.96 -3.01 115.31 113.01 3kk3 h LEU 289 Ca -0.46 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.46 3kk3 h LEU 289 Cb 1.20 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.88 3kk3 h LEU 289 CO 0.59 0.36 -0.03 0.35 -1.08 0.00 0.00 178.44 178.63 3kk3 n THR 290 N -4.30 0.00 -1.71 0.22 -2.24 -1.26 -1.11 114.28 103.88 3kk3 n THR 290 Ca -0.01 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.86 3kk3 n THR 290 Cb 0.24 1.44 -0.01 0.00 -2.10 0.00 0.00 70.33 69.90 3kk3 n THR 290 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3kk3 n GLU 291 N 1.15 2.27 -3.02 -0.78 2.13 -1.14 -4.76 120.64 116.49 3kk3 n GLU 291 Ca 0.13 0.80 -0.38 0.00 0.66 0.00 0.00 57.16 58.36 3kk3 n GLU 291 Cb 0.54 -2.46 -0.06 0.00 0.27 0.00 0.00 31.44 29.73 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 -0.54 4.43 -0.21 6.31 1.01 -1.26 -1.33 120.40 128.81 3kk3 s VAL 292 Ca 0.61 1.57 -0.03 0.00 0.00 0.00 0.00 61.98 64.13 3kk3 s VAL 292 Cb -0.57 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 3kk3 s VAL 292 CO 0.56 0.42 -0.05 -0.63 0.00 0.00 0.00 175.10 175.39 3kk3 s ILE 293 N -1.27 3.36 -0.29 2.22 -1.09 -0.79 -4.88 121.20 118.46 3kk3 s ILE 293 Ca 0.38 -0.50 -0.28 0.00 -2.23 0.00 0.00 60.65 58.01 3kk3 s ILE 293 Cb -0.21 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.13 3kk3 s ILE 293 CO 0.24 0.44 1.91 -2.16 -1.23 0.00 0.00 174.94 174.14 3kk3 s PRO 294 N 1.30 3.31 0.14 2.79 0.04 -1.26 -4.30 135.00 137.02 3kk3 s PRO 294 Ca 0.04 1.63 -0.32 0.00 0.04 0.00 0.00 61.00 62.38 3kk3 s PRO 294 Cb -0.14 -4.24 -0.12 0.00 0.04 0.00 0.00 34.50 30.04 3kk3 s PRO 294 CO -0.02 -1.89 1.76 1.28 0.04 0.00 0.00 177.00 178.17 3kk3 n LEU 295 N 10.56 3.81 0.00 -3.56 7.99 -1.26 -4.99 117.00 129.55 3kk3 n LEU 295 Ca 0.25 1.03 -0.14 0.00 -0.01 0.00 0.00 56.01 57.13 3kk3 n LEU 295 Cb 0.46 -1.52 0.10 0.00 -0.11 0.00 0.00 43.42 42.35 3kk3 n LEU 295 CO 0.68 0.07 0.41 0.35 -1.51 0.00 0.00 177.39 177.39 3kk3 n THR 296 N 4.26 0.00 0.36 -5.08 -2.24 -1.26 -4.84 114.28 105.49 3kk3 n THR 296 Ca 0.18 -0.56 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 3kk3 n THR 296 Cb 0.34 -1.63 -0.07 0.00 -2.10 0.00 0.00 70.33 66.88 3kk3 n THR 296 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3kk3 h GLU 297 N 0.00 -0.91 -0.46 -0.78 4.11 -2.00 -2.35 114.58 112.19 3kk3 h GLU 297 Ca -0.21 0.06 -0.08 0.00 0.07 0.00 0.00 59.36 59.20 3kk3 h GLU 297 Cb 0.60 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3kk3 h GLU 297 CO 0.16 -0.60 -0.04 1.05 0.07 0.00 0.00 179.01 179.64 3kk3 h GLU 298 N -1.06 0.79 0.00 1.06 9.09 -1.95 -2.19 114.58 120.32 3kk3 h GLU 298 Ca -0.10 -0.23 0.00 0.00 0.05 0.00 0.00 59.36 59.08 3kk3 h GLU 298 Cb 0.72 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.74 3kk3 h GLU 298 CO 0.16 0.83 0.00 0.00 0.05 0.00 0.00 179.01 180.04 3kk3 n ALA 299 N -2.48 -0.12 0.24 1.06 0.00 -1.22 -0.09 120.51 117.91 3kk3 n ALA 299 Ca 0.02 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.63 3kk3 n ALA 299 Cb 0.33 0.33 0.88 0.00 0.00 0.00 0.00 19.45 20.99 3kk3 n ALA 299 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3kk3 h GLU 300 N 0.00 0.00 -0.63 0.00 4.57 -1.31 0.39 114.58 117.60 3kk3 h GLU 300 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3kk3 h GLU 300 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3kk3 h GLU 300 CO 0.00 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.11 3kk3 n LEU 301 N -3.74 3.42 -0.11 1.64 4.77 -0.78 -1.89 117.00 120.31 3kk3 n LEU 301 Ca -0.00 -1.71 -0.15 0.00 -0.03 0.00 0.00 56.01 54.11 3kk3 n LEU 301 Cb 0.24 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 3kk3 n LEU 301 CO 0.26 0.82 -1.21 1.21 -1.33 0.00 0.00 177.39 177.15 3kk3 n GLU 302 N 1.29 0.54 0.13 3.23 2.13 0.13 -4.06 120.64 124.03 3kk3 n GLU 302 Ca 0.21 0.13 0.03 0.00 0.66 0.00 0.00 57.16 58.19 3kk3 n GLU 302 Cb 0.55 -1.42 0.02 0.00 0.27 0.00 0.00 31.44 30.86 3kk3 n GLU 302 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 3kk3 h LEU 303 N -0.05 0.00 -0.28 4.31 8.10 -1.58 0.16 115.31 125.97 3kk3 h LEU 303 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.50 3kk3 h LEU 303 Cb 1.73 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.94 3kk3 h LEU 303 CO -0.09 0.47 0.15 0.00 -4.11 0.00 0.00 178.44 174.86 3kk3 h ALA 304 N 1.53 0.36 -0.09 0.17 0.00 -1.61 -0.17 119.26 119.45 3kk3 h ALA 304 Ca -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3kk3 h ALA 304 Cb 1.37 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3kk3 h ALA 304 CO 0.06 -0.10 -0.08 0.93 0.00 0.00 0.00 179.25 180.06 3kk3 h GLU 305 N 0.34 0.21 -0.99 0.00 5.08 -1.68 -3.12 114.58 114.43 3kk3 h GLU 305 Ca 0.10 -0.11 0.22 0.00 -1.00 0.00 0.00 59.36 58.57 3kk3 h GLU 305 Cb 0.07 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 3kk3 h GLU 305 CO -0.02 0.62 0.62 -0.91 -1.00 0.00 0.00 179.01 178.33 3kk3 h ASN 306 N -0.19 0.58 0.42 1.42 2.35 -0.57 1.02 115.58 120.62 3kk3 h ASN 306 Ca 0.02 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3kk3 h ASN 306 Cb 0.57 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3kk3 h ASN 306 CO 0.02 0.18 0.00 -1.14 -1.65 0.00 0.00 177.43 174.84 3kk3 n ARG 307 N -4.67 0.18 -0.02 0.81 0.63 -0.09 -2.03 116.66 111.49 3kk3 n ARG 307 Ca 0.23 0.14 -0.21 0.00 -0.92 0.00 0.00 57.85 57.09 3kk3 n ARG 307 Cb 0.70 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.98 3kk3 n ARG 307 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3kk3 h GLU 308 N 0.00 0.18 -0.90 -0.14 4.81 0.11 -3.35 114.58 115.29 3kk3 h GLU 308 Ca 0.00 -0.31 0.10 0.00 -0.13 0.00 0.00 59.36 59.02 3kk3 h GLU 308 Cb 0.21 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.63 3kk3 h GLU 308 CO 0.00 1.15 0.54 0.82 -0.73 0.00 0.00 179.01 180.79 3kk3 h ILE 309 N -0.48 0.92 0.00 2.32 2.04 -1.09 0.45 117.51 121.67 3kk3 h ILE 309 Ca -0.28 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3kk3 h ILE 309 Cb 1.61 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3kk3 h ILE 309 CO 0.01 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.50 3kk3 n LEU 310 N -4.69 0.00 -0.06 1.44 4.77 -1.04 -2.13 117.00 115.28 3kk3 n LEU 310 Ca 0.16 0.30 -0.17 0.00 -0.03 0.00 0.00 56.01 56.27 3kk3 n LEU 310 Cb 0.30 -0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 40.97 3kk3 n LEU 310 CO 0.27 -0.20 0.12 0.11 -1.33 0.00 0.00 177.39 176.36 3kk3 h LYS 311 N 0.00 0.03 -7.01 3.23 1.57 -1.03 -3.42 116.57 109.95 3kk3 h LYS 311 Ca 0.00 -0.06 -0.54 0.00 -1.87 0.00 0.00 60.65 58.19 3kk3 h LYS 311 Cb 0.10 0.02 0.11 0.00 0.08 0.00 0.00 32.23 32.54 3kk3 h LYS 311 CO 0.00 1.03 0.60 -1.21 -0.57 0.00 0.00 179.45 179.30 3kk3 s GLU 312 N -2.28 3.53 1.15 3.15 2.02 -0.91 -5.01 118.70 120.35 3kk3 s GLU 312 Ca -0.21 2.16 -0.13 0.00 0.02 0.00 0.00 54.97 56.81 3kk3 s GLU 312 Cb -0.00 -2.46 0.26 0.00 0.10 0.00 0.00 34.13 32.03 3kk3 s GLU 312 CO 0.68 -0.86 0.94 -2.30 0.02 0.00 0.00 175.26 173.75 3kk3 n PRO 313 N -0.54 -2.21 -2.72 0.39 -0.02 -1.26 -4.98 135.00 123.65 3kk3 n PRO 313 Ca 0.07 -0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 60.53 3kk3 n PRO 313 Cb 0.45 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 3kk3 n PRO 313 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kk3 s VAL 314 N -2.41 4.58 -0.17 -1.45 1.01 -1.26 -5.02 120.40 115.67 3kk3 s VAL 314 Ca 0.67 2.07 -0.13 0.00 0.00 0.00 0.00 61.98 64.60 3kk3 s VAL 314 Cb -0.24 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 3kk3 s VAL 314 CO 0.65 0.28 0.25 -2.28 0.00 0.00 0.00 175.10 174.00 3kk3 s HIS 315 N 0.23 3.44 -0.13 5.22 2.46 -1.26 -4.55 115.29 120.70 3kk3 s HIS 315 Ca 0.48 0.51 -0.01 0.00 0.47 0.00 0.00 55.06 56.52 3kk3 s HIS 315 Cb -0.23 -2.30 -0.01 0.00 -0.13 0.00 0.00 32.58 29.92 3kk3 s HIS 315 CO 0.29 0.24 0.11 0.41 -2.47 0.00 0.00 174.74 173.33 3kk3 n GLY 316 N 3.46 0.26 2.75 1.59 0.00 -1.26 -5.08 105.19 106.91 3kk3 n GLY 316 Ca -0.13 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 3kk3 n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kk3 s VAL 317 N -3.03 0.26 -0.03 1.61 1.01 -1.26 -5.09 120.40 113.86 3kk3 s VAL 317 Ca 0.04 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3kk3 s VAL 317 Cb -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.94 3kk3 s VAL 317 CO 0.10 0.24 -0.06 -0.31 0.00 0.00 0.00 175.10 175.07 3kk3 s TYR 318 N 2.02 0.80 0.22 5.22 2.02 -1.26 -4.98 117.35 121.39 3kk3 s TYR 318 Ca 0.05 -0.21 -0.30 0.00 -0.37 0.00 0.00 57.07 56.24 3kk3 s TYR 318 Cb -0.12 -0.63 -0.10 0.00 -0.40 0.00 0.00 41.96 40.71 3kk3 s TYR 318 CO -0.05 -0.14 1.41 -0.47 -1.57 0.00 0.00 175.55 174.73 3kk3 s TYR 319 N 0.54 3.10 -0.42 2.71 5.04 -1.26 -4.99 117.35 122.07 3kk3 s TYR 319 Ca -0.08 1.05 -0.05 0.00 -2.44 0.00 0.00 57.07 55.55 3kk3 s TYR 319 Cb -0.11 -3.76 0.11 0.00 0.35 0.00 0.00 41.96 38.54 3kk3 s TYR 319 CO 0.00 -2.49 0.24 0.34 -1.34 0.00 0.00 175.55 172.31 3kk3 s ASP 320 N 0.46 5.42 0.64 4.32 -1.08 -1.26 -4.95 116.67 120.21 3kk3 s ASP 320 Ca 0.60 -1.90 0.35 0.00 -0.52 0.00 0.00 52.55 51.08 3kk3 s ASP 320 Cb -0.40 -1.90 1.96 0.00 -1.46 0.00 0.00 42.92 41.12 3kk3 s ASP 320 CO 0.40 -0.57 2.17 1.55 0.52 0.00 0.00 175.17 179.24 3kk3 h PRO 321 N 8.21 0.00 -0.12 4.34 0.13 -1.96 0.34 132.00 142.94 3kk3 h PRO 321 Ca -0.17 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.87 3kk3 h PRO 321 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3kk3 h PRO 321 CO 0.75 0.00 -0.27 0.66 -0.23 0.00 0.00 178.00 178.91 3kk3 h SER 322 N 0.00 0.45 -4.19 1.44 4.64 -2.02 -3.47 113.55 110.40 3kk3 h SER 322 Ca 0.03 -0.57 -0.45 0.00 -0.47 0.00 0.00 61.79 60.32 3kk3 h SER 322 Cb 0.32 -0.13 0.14 0.00 -0.31 0.00 0.00 62.40 62.42 3kk3 h SER 322 CO -0.00 0.93 0.33 -0.54 -0.87 0.00 0.00 176.83 176.69 3kk3 s LYS 323 N -3.95 0.93 -0.07 4.77 1.02 0.11 -5.01 119.74 117.53 3kk3 s LYS 323 Ca -0.14 0.05 -0.19 0.00 0.02 0.00 0.00 55.97 55.71 3kk3 s LYS 323 Cb 0.05 -1.84 -0.05 0.00 -0.52 0.00 0.00 37.83 35.48 3kk3 s LYS 323 CO 0.78 -2.29 0.52 0.34 -0.92 0.00 0.00 175.35 173.77 3kk3 s ASP 324 N -4.33 6.81 0.05 2.83 -1.08 -1.26 -4.89 116.67 114.80 3kk3 s ASP 324 Ca 0.67 0.96 -0.28 0.00 -0.52 0.00 0.00 52.55 53.38 3kk3 s ASP 324 Cb -0.11 -2.32 -0.05 0.00 -1.46 0.00 0.00 42.92 38.99 3kk3 s ASP 324 CO 0.53 0.06 0.89 -0.22 0.52 0.00 0.00 175.17 176.95 3kk3 s LEU 325 N 0.22 4.43 -0.23 -1.34 2.96 -1.26 -4.62 118.68 118.83 3kk3 s LEU 325 Ca 0.28 1.61 -0.00 0.00 -0.22 0.00 0.00 54.13 55.80 3kk3 s LEU 325 Cb -0.16 -3.45 0.06 0.00 0.50 0.00 0.00 46.19 43.14 3kk3 s LEU 325 CO 0.13 -0.11 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.41 3kk3 s ILE 326 N 0.35 1.23 0.36 6.68 1.01 -0.90 0.07 121.20 129.99 3kk3 s ILE 326 Ca 0.45 -1.09 -0.10 0.00 0.00 0.00 0.00 60.65 59.91 3kk3 s ILE 326 Cb -0.21 -1.61 -0.07 0.00 0.01 0.00 0.00 42.46 40.58 3kk3 s ILE 326 CO 0.27 -0.19 0.71 0.00 0.00 0.00 0.00 174.94 175.72 3kk3 s ALA 327 N 1.52 3.41 -0.10 9.38 0.00 -1.01 -1.78 121.76 133.18 3kk3 s ALA 327 Ca -0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 3kk3 s ALA 327 Cb -0.18 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.35 3kk3 s ALA 327 CO -0.08 0.13 0.26 -2.00 0.00 0.00 0.00 175.76 174.07 3kk3 s GLU 328 N -3.56 0.26 0.10 0.00 2.12 -0.44 -2.24 118.70 114.94 3kk3 s GLU 328 Ca 0.50 0.45 0.06 0.00 0.36 0.00 0.00 54.97 56.34 3kk3 s GLU 328 Cb -0.10 0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.27 3kk3 s GLU 328 CO 0.28 -0.10 -0.15 0.42 -0.54 0.00 0.00 175.26 175.17 3kk3 s ILE 329 N 0.70 1.30 -0.01 -3.70 1.01 -1.21 -1.70 121.20 117.59 3kk3 s ILE 329 Ca -0.05 -1.52 0.02 0.00 0.00 0.00 0.00 60.65 59.10 3kk3 s ILE 329 Cb -0.06 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.06 3kk3 s ILE 329 CO -0.04 -0.28 -0.06 -1.10 0.00 0.00 0.00 174.94 173.45 3kk3 s GLN 330 N -2.17 0.53 -0.25 2.79 1.11 -0.41 -4.43 119.66 116.82 3kk3 s GLN 330 Ca 0.04 -0.21 -0.26 0.00 0.01 0.00 0.00 55.36 54.94 3kk3 s GLN 330 Cb -0.08 -0.51 0.00 0.00 -1.01 0.00 0.00 33.01 31.41 3kk3 s GLN 330 CO 0.03 0.12 0.89 0.21 0.01 0.00 0.00 175.29 176.55 3kk3 s LYS 331 N -0.06 4.16 -0.02 2.91 2.20 -1.26 -1.80 119.74 125.88 3kk3 s LYS 331 Ca 0.01 1.00 0.19 0.00 -0.36 0.00 0.00 55.97 56.81 3kk3 s LYS 331 Cb -0.03 -3.66 -0.21 0.00 -1.51 0.00 0.00 37.83 32.42 3kk3 s LYS 331 CO -0.00 -0.59 0.57 1.04 -0.36 0.00 0.00 175.35 176.00 3kk3 n GLN 332 N 6.17 0.65 0.00 4.03 1.13 -0.55 -4.94 117.38 123.87 3kk3 n GLN 332 Ca 0.07 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 3kk3 n GLN 332 Cb 0.47 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 29.16 3kk3 n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kk3 n GLY 333 N 1.43 1.28 3.85 1.08 0.00 -1.13 -4.94 105.19 106.77 3kk3 n GLY 333 Ca -0.13 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 3kk3 n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kk3 n GLN 334 N 1.76 -5.95 -1.37 1.61 1.13 -1.26 -1.62 117.38 111.68 3kk3 n GLN 334 Ca 0.00 0.64 -0.13 0.00 -1.94 0.00 0.00 57.00 55.57 3kk3 n GLN 334 Cb 0.00 -5.55 -0.05 0.00 0.11 0.00 0.00 30.24 24.74 3kk3 n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kk3 n GLY 335 N -1.74 1.26 3.39 1.08 0.00 -1.26 -4.52 105.19 103.39 3kk3 n GLY 335 Ca 0.03 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.99 3.54 -0.08 1.61 -1.52 -0.64 0.38 119.66 119.95 3kk3 s GLN 336 Ca 0.00 -0.54 0.04 0.00 -1.95 0.00 0.00 55.36 52.91 3kk3 s GLN 336 Cb 0.00 -3.17 -0.00 0.00 -0.22 0.00 0.00 33.01 29.62 3kk3 s GLN 336 CO 0.00 -0.17 -0.23 -1.58 -0.25 0.00 0.00 175.29 173.06 3kk3 s TRP 337 N 1.50 2.40 -0.01 0.91 0.52 -0.73 -1.48 118.94 122.06 3kk3 s TRP 337 Ca 0.06 -0.90 -0.02 0.00 0.02 0.00 0.00 56.10 55.25 3kk3 s TRP 337 Cb -0.15 -1.60 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 3kk3 s TRP 337 CO 0.01 -0.34 0.17 0.95 0.02 0.00 0.00 176.95 177.75 3kk3 s THR 338 N 0.22 5.36 0.03 2.01 -4.23 -0.75 -0.33 115.64 117.96 3kk3 s THR 338 Ca -0.14 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 3kk3 s THR 338 Cb -0.16 -3.50 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 3kk3 s THR 338 CO 0.07 0.32 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.71 3kk3 s TYR 339 N -1.32 0.43 0.01 3.99 1.13 -0.55 -1.29 117.35 119.76 3kk3 s TYR 339 Ca 0.27 -0.63 0.08 0.00 -1.41 0.00 0.00 57.07 55.38 3kk3 s TYR 339 Cb -0.13 -0.29 -0.02 0.00 -1.10 0.00 0.00 41.96 40.43 3kk3 s TYR 339 CO 0.19 -0.19 -0.23 -0.65 -2.51 0.00 0.00 175.55 172.15 3kk3 s GLN 340 N -2.01 1.73 0.07 -3.49 1.11 -0.69 -0.80 119.66 115.58 3kk3 s GLN 340 Ca -0.09 -0.91 -0.03 0.00 0.01 0.00 0.00 55.36 54.34 3kk3 s GLN 340 Cb -0.06 -1.76 -0.05 0.00 -1.01 0.00 0.00 33.01 30.13 3kk3 s GLN 340 CO -0.02 0.47 0.27 0.42 0.01 0.00 0.00 175.29 176.43 3kk3 s ILE 341 N -0.66 5.31 -0.20 1.08 1.09 -0.56 -1.33 121.20 125.94 3kk3 s ILE 341 Ca 0.09 -0.17 -0.31 0.00 -1.10 0.00 0.00 60.65 59.16 3kk3 s ILE 341 Cb -0.09 -3.61 0.15 0.00 -1.06 0.00 0.00 42.46 37.85 3kk3 s ILE 341 CO 0.00 0.15 1.18 -0.72 -0.10 0.00 0.00 174.94 175.46 3kk3 s TYR 342 N -1.51 -0.18 -0.03 3.97 -0.85 -0.73 -0.81 117.35 117.21 3kk3 s TYR 342 Ca 0.35 0.24 -0.01 0.00 -0.52 0.00 0.00 57.07 57.13 3kk3 s TYR 342 Cb -0.13 0.49 -0.01 0.00 0.38 0.00 0.00 41.96 42.69 3kk3 s TYR 342 CO 0.25 -0.21 -0.03 1.04 -1.52 0.00 0.00 175.55 175.08 3kk3 n GLN 343 N 0.33 0.06 -3.64 -3.49 6.02 -1.26 -2.13 117.38 113.27 3kk3 n GLN 343 Ca -0.03 0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.62 3kk3 n GLN 343 Cb 0.59 -0.73 -0.08 0.00 1.02 0.00 0.00 30.24 31.03 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 -2.05 4.16 0.00 -1.09 0.41 -1.26 -4.97 118.70 113.91 3kk3 s GLU 344 Ca -0.04 -0.14 -0.35 0.00 -0.41 0.00 0.00 54.97 54.03 3kk3 s GLU 344 Cb 0.01 -3.47 -0.14 0.00 -1.78 0.00 0.00 34.13 28.75 3kk3 s GLU 344 CO 0.05 0.18 1.65 -2.30 -0.49 0.00 0.00 175.26 174.36 3kk3 n PRO 345 N 3.86 1.82 0.00 0.39 -0.02 -1.26 -0.34 135.00 139.45 3kk3 n PRO 345 Ca -0.14 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3kk3 n PRO 345 Cb 0.52 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3kk3 n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kk3 n PHE 346 N 4.53 0.00 -3.03 6.00 3.72 -1.26 -4.97 117.46 122.46 3kk3 n PHE 346 Ca 0.20 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.18 3kk3 n PHE 346 Cb 0.25 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.79 3kk3 n PHE 346 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kk3 n LYS 347 N -2.00 4.40 -2.25 -1.08 5.02 0.54 -4.74 118.16 118.05 3kk3 n LYS 347 Ca 0.00 -4.56 -0.43 0.00 -2.02 0.00 0.00 58.31 51.30 3kk3 n LYS 347 Cb 0.00 -2.50 -0.02 0.00 -0.02 0.00 0.00 35.03 32.48 3kk3 n LYS 347 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kk3 s ASN 348 N -1.76 6.75 0.60 4.39 0.01 -1.26 -4.13 114.94 119.54 3kk3 s ASN 348 Ca 0.31 1.80 0.32 0.00 -0.71 0.00 0.00 52.86 54.58 3kk3 s ASN 348 Cb 0.05 -2.54 1.89 0.00 0.41 0.00 0.00 41.25 41.06 3kk3 s ASN 348 CO 0.10 -0.92 2.26 -0.07 -1.51 0.00 0.00 177.10 176.96 3kk3 h LEU 349 N 10.29 0.00 -7.00 0.60 3.38 -1.34 -3.45 115.31 117.80 3kk3 h LEU 349 Ca -0.31 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.75 3kk3 h LEU 349 Cb 1.13 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.72 3kk3 h LEU 349 CO 0.98 0.01 0.48 -0.75 0.09 0.00 0.00 178.44 179.25 3kk3 s LYS 350 N -4.52 0.82 -0.01 1.13 2.20 -1.21 -4.99 119.74 113.16 3kk3 s LYS 350 Ca -0.05 -0.25 -0.05 0.00 -0.36 0.00 0.00 55.97 55.26 3kk3 s LYS 350 Cb 0.15 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.85 3kk3 s LYS 350 CO 0.53 -0.35 0.10 0.95 -0.36 0.00 0.00 175.35 176.22 3kk3 s THR 351 N -2.91 0.06 0.33 3.43 -4.23 -1.26 -1.49 115.64 109.57 3kk3 s THR 351 Ca 0.04 -0.52 -0.12 0.00 -1.18 0.00 0.00 61.69 59.91 3kk3 s THR 351 Cb -0.01 -0.32 0.02 0.00 1.34 0.00 0.00 72.50 73.54 3kk3 s THR 351 CO -0.08 -0.28 0.63 -0.83 -0.54 0.00 0.00 174.62 173.52 3kk3 s GLY 352 N -0.94 0.67 -0.02 3.99 0.00 0.02 -1.93 107.32 109.12 3kk3 s GLY 352 Ca -0.10 -0.95 0.05 0.00 0.00 0.00 0.00 44.72 43.72 3kk3 s GLY 352 CO 0.01 -0.55 -0.16 -1.59 0.00 0.00 0.00 173.10 170.81 3kk3 s LYS 353 N -3.07 1.33 -0.90 2.90 -2.85 -1.26 -1.48 119.74 114.41 3kk3 s LYS 353 Ca 0.21 -0.56 -0.12 0.00 -1.00 0.00 0.00 55.97 54.49 3kk3 s LYS 353 Cb -0.03 -1.27 0.23 0.00 -2.06 0.00 0.00 37.83 34.71 3kk3 s LYS 353 CO 0.13 0.32 0.86 -0.47 0.10 0.00 0.00 175.35 176.29 3kk3 s TYR 354 N -0.31 3.90 -0.16 1.78 5.04 0.55 -4.97 117.35 123.19 3kk3 s TYR 354 Ca 0.05 -2.22 -0.27 0.00 -2.44 0.00 0.00 57.07 52.19 3kk3 s TYR 354 Cb -0.07 -3.80 -0.01 0.00 0.35 0.00 0.00 41.96 38.43 3kk3 s TYR 354 CO -0.00 -0.97 0.91 0.00 -1.34 0.00 0.00 175.55 174.14 3kk3 s ALA 355 N -0.26 3.51 0.04 3.97 0.00 -1.26 -1.77 121.76 125.99 3kk3 s ALA 355 Ca 0.22 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.40 3kk3 s ALA 355 Cb -0.10 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 3kk3 s ALA 355 CO -0.09 -0.69 -0.19 1.03 0.00 0.00 0.00 175.76 175.82 3kk3 s ARG 356 N 2.24 2.02 0.00 0.00 0.52 0.16 -4.96 118.95 118.94 3kk3 s ARG 356 Ca 0.42 -1.00 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 3kk3 s ARG 356 Cb -0.17 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.15 3kk3 s ARG 356 CO 0.13 0.53 0.11 -1.33 0.02 0.00 0.00 175.30 174.76 3kk3 n MET 357 N 1.58 0.00 -4.44 3.54 2.81 -1.26 -4.34 117.12 115.00 3kk3 n MET 357 Ca -0.16 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.51 3kk3 n MET 357 Cb 0.52 -0.61 -0.09 0.00 -0.71 0.00 0.00 33.22 32.33 3kk3 n MET 357 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3kk3 s ARG 358 N -0.21 1.73 0.00 0.03 1.04 -1.26 -4.68 118.95 115.60 3kk3 s ARG 358 Ca 0.00 -2.00 0.00 0.00 -1.04 0.00 0.00 55.73 52.69 3kk3 s ARG 358 Cb 0.00 -0.58 0.00 0.00 -2.04 0.00 0.00 34.95 32.33 3kk3 s ARG 358 CO 0.00 -0.36 0.00 2.41 -0.04 0.00 0.00 175.30 177.31 3kk3 n THR 362 N -0.74 0.00 -3.29 4.99 -1.04 -1.26 -4.79 114.28 108.15 3kk3 n THR 362 Ca -0.03 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.53 3kk3 n THR 362 Cb 0.66 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.10 3kk3 n THR 362 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3kk3 s ASN 363 N 0.00 6.18 0.48 8.00 3.84 -1.26 -4.95 114.94 127.23 3kk3 s ASN 363 Ca 0.00 -1.29 0.25 0.00 0.21 0.00 0.00 52.86 52.03 3kk3 s ASN 363 Cb 0.00 -2.23 1.29 0.00 -0.55 0.00 0.00 41.25 39.77 3kk3 s ASN 363 CO 0.00 -0.79 1.88 -0.78 -2.79 0.00 0.00 177.10 174.62 3kk3 h ASP 364 N 8.88 0.19 0.22 -4.21 3.58 -2.04 -0.00 116.42 123.04 3kk3 h ASP 364 Ca -0.28 0.02 -0.35 0.00 0.42 0.00 0.00 57.03 56.84 3kk3 h ASP 364 Cb 1.10 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 3kk3 h ASP 364 CO 0.95 0.07 -1.86 0.58 -2.88 0.00 0.00 179.24 176.10 3kk3 h VAL 365 N 0.19 0.78 -0.38 2.25 2.07 -1.99 -2.76 116.25 116.41 3kk3 h VAL 365 Ca 0.44 -2.47 -0.03 0.00 0.82 0.00 0.00 66.70 65.46 3kk3 h VAL 365 Cb 1.42 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 33.75 3kk3 h VAL 365 CO -0.09 0.84 0.13 0.50 0.02 0.00 0.00 177.57 178.97 3kk3 h LYS 366 N 0.07 0.58 -0.41 1.57 3.64 -1.83 -1.44 116.57 118.75 3kk3 h LYS 366 Ca -0.37 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 58.97 3kk3 h LYS 366 Cb 2.05 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 33.69 3kk3 h LYS 366 CO 0.12 0.58 -0.34 0.37 -2.27 0.00 0.00 179.45 177.91 3kk3 h GLN 367 N 0.47 -0.25 0.00 1.90 4.15 -1.08 -0.77 115.11 119.53 3kk3 h GLN 367 Ca 0.12 0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.46 3kk3 h GLN 367 Cb 0.23 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 3kk3 h GLN 367 CO -0.01 -0.17 -0.47 1.25 -1.93 0.00 0.00 178.83 177.51 3kk3 h LEU 368 N -0.26 0.00 -0.28 -2.39 7.12 -1.30 0.19 115.31 118.39 3kk3 h LEU 368 Ca 0.17 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.98 3kk3 h LEU 368 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 3kk3 h LEU 368 CO -0.55 0.47 -0.73 0.00 -0.13 0.00 0.00 178.44 177.50 3kk3 h THR 369 N 0.00 1.32 -0.38 1.05 1.03 -0.92 -2.88 112.91 112.12 3kk3 h THR 369 Ca -0.00 -2.00 -0.13 0.00 -0.01 0.00 0.00 66.41 64.26 3kk3 h THR 369 Cb 1.21 1.99 -0.01 0.00 -1.07 0.00 0.00 68.15 70.27 3kk3 h THR 369 CO 0.06 0.62 -0.30 -0.33 -0.01 0.00 0.00 175.52 175.56 3kk3 h GLU 370 N 0.45 0.82 -0.54 0.00 5.08 -0.69 -1.99 114.58 117.71 3kk3 h GLU 370 Ca -0.04 -0.38 0.14 0.00 -1.00 0.00 0.00 59.36 58.09 3kk3 h GLU 370 Cb 1.33 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 3kk3 h GLU 370 CO 0.14 1.01 0.38 0.00 -1.00 0.00 0.00 179.01 179.54 3kk3 h ALA 371 N 0.96 2.39 0.00 3.43 0.00 -0.94 -1.01 119.26 124.09 3kk3 h ALA 371 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kk3 h ALA 371 Cb 0.85 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kk3 h ALA 371 CO 0.07 -0.54 -0.51 1.33 0.00 0.00 0.00 179.25 179.60 3kk3 n VAL 372 N -4.41 0.17 0.08 0.00 0.24 -0.77 -2.64 118.33 111.00 3kk3 n VAL 372 Ca 0.10 -0.13 -0.23 0.00 -2.04 0.00 0.00 64.34 62.04 3kk3 n VAL 372 Cb 0.55 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.78 3kk3 n VAL 372 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3kk3 h GLN 373 N 0.00 0.40 -0.08 7.34 4.20 -0.95 -2.65 115.11 123.37 3kk3 h GLN 373 Ca 0.00 -0.68 -0.00 0.00 0.06 0.00 0.00 58.65 58.02 3kk3 h GLN 373 Cb 0.62 0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 3kk3 h GLN 373 CO 0.00 1.33 0.04 -0.22 -0.67 0.00 0.00 178.83 179.31 3kk3 h LYS 374 N 0.02 0.11 -0.26 1.46 3.11 -1.32 -2.24 116.57 117.44 3kk3 h LYS 374 Ca -0.31 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.54 3kk3 h LYS 374 Cb 2.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 33.22 3kk3 h LYS 374 CO 0.18 0.16 0.13 0.82 -2.81 0.00 0.00 179.45 177.93 3kk3 h ILE 375 N 0.02 1.00 0.24 2.00 2.04 -1.65 -2.63 117.51 118.55 3kk3 h ILE 375 Ca 0.03 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3kk3 h ILE 375 Cb 0.09 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3kk3 h ILE 375 CO -0.00 0.05 -0.19 0.74 0.00 0.00 0.00 178.15 178.75 3kk3 h THR 376 N 0.28 0.59 -0.47 -0.27 2.02 -1.28 -0.26 112.91 113.52 3kk3 h THR 376 Ca 0.10 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.33 3kk3 h THR 376 Cb 0.02 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 66.96 3kk3 h THR 376 CO -0.06 0.00 -0.40 0.74 0.37 0.00 0.00 175.52 176.17 3kk3 h THR 377 N -0.44 0.00 -0.88 3.16 2.02 -1.37 0.30 112.91 115.70 3kk3 h THR 377 Ca -0.01 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.39 3kk3 h THR 377 Cb 0.39 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.64 3kk3 h THR 377 CO -0.01 0.00 0.05 -0.33 0.37 0.00 0.00 175.52 175.60 3kk3 h GLU 378 N -0.15 0.08 0.24 6.66 5.08 -1.00 0.48 114.58 125.96 3kk3 h GLU 378 Ca 0.08 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3kk3 h GLU 378 Cb 0.35 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3kk3 h GLU 378 CO -0.52 0.05 -0.12 1.03 -1.00 0.00 0.00 179.01 178.45 3kk3 h SER 379 N 0.08 -0.29 -0.67 1.42 0.87 0.12 0.75 113.55 115.83 3kk3 h SER 379 Ca 0.52 0.01 0.11 0.00 -1.23 0.00 0.00 61.79 61.20 3kk3 h SER 379 Cb 1.02 0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 62.97 3kk3 h SER 379 CO -0.78 -0.20 0.27 0.40 -0.53 0.00 0.00 176.83 175.98 3kk3 h ILE 380 N -0.33 0.75 -0.12 2.23 2.04 0.18 1.40 117.51 123.65 3kk3 h ILE 380 Ca -0.03 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3kk3 h ILE 380 Cb 0.26 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3kk3 h ILE 380 CO 0.05 0.08 -0.08 0.58 0.00 0.00 0.00 178.15 178.78 3kk3 h VAL 381 N 0.45 1.33 0.09 1.67 2.07 0.70 0.70 116.25 123.25 3kk3 h VAL 381 Ca 0.35 -1.14 -0.20 0.00 0.82 0.00 0.00 66.70 66.52 3kk3 h VAL 381 Cb 0.45 1.82 0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3kk3 h VAL 381 CO -0.33 0.33 -0.83 0.40 0.02 0.00 0.00 177.57 177.16 3kk3 h ILE 382 N -0.09 1.43 0.00 4.57 2.04 0.70 -3.39 117.51 122.77 3kk3 h ILE 382 Ca 0.03 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.54 3kk3 h ILE 382 Cb 0.56 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 3kk3 h ILE 382 CO 0.02 0.68 -0.63 0.79 0.00 0.00 0.00 178.15 179.01 3kk3 n TRP 383 N -4.09 0.00 -0.91 1.37 8.01 0.47 -5.00 117.44 117.29 3kk3 n TRP 383 Ca -0.13 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.06 3kk3 n TRP 383 Cb 0.80 -0.04 0.00 0.00 -2.01 0.00 0.00 31.31 30.06 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 1.63 0.90 2.73 6.99 0.00 0.25 -4.94 105.19 112.74 3kk3 n GLY 384 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3kk3 n GLY 384 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kk3 n LYS 385 N -2.12 0.96 -4.30 1.61 2.85 -1.26 -4.85 118.16 111.04 3kk3 n LYS 385 Ca 0.00 -2.78 -0.28 0.00 -1.05 0.00 0.00 58.31 54.20 3kk3 n LYS 385 Cb 0.00 0.94 -0.10 0.00 -0.65 0.00 0.00 35.03 35.22 3kk3 n LYS 385 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3kk3 s THR 386 N -2.49 3.02 0.89 0.58 -4.23 -1.26 -1.78 115.64 110.37 3kk3 s THR 386 Ca 0.04 -1.64 -0.12 0.00 -1.18 0.00 0.00 61.69 58.79 3kk3 s THR 386 Cb 0.00 -2.46 0.13 0.00 1.34 0.00 0.00 72.50 71.51 3kk3 s THR 386 CO 0.03 -0.04 1.10 -2.84 -0.54 0.00 0.00 174.62 172.33 3kk3 s PRO 387 N -2.60 1.28 -0.26 3.99 0.02 -1.26 -4.60 135.00 131.57 3kk3 s PRO 387 Ca 0.22 0.63 -0.11 0.00 0.02 0.00 0.00 61.00 61.77 3kk3 s PRO 387 Cb -0.09 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 3kk3 s PRO 387 CO 0.13 -2.18 0.17 0.21 -0.33 0.00 0.00 177.00 175.01 3kk3 s LYS 388 N -5.05 4.01 0.30 5.54 2.20 0.11 -3.86 119.74 122.99 3kk3 s LYS 388 Ca 0.63 -0.30 -0.17 0.00 -0.36 0.00 0.00 55.97 55.77 3kk3 s LYS 388 Cb -0.17 -3.60 -0.09 0.00 -1.51 0.00 0.00 37.83 32.47 3kk3 s LYS 388 CO 0.56 -0.06 0.75 -0.06 -0.36 0.00 0.00 175.35 176.19 3kk3 s PHE 389 N 1.40 3.47 -0.35 4.03 0.40 -0.83 -2.41 117.98 123.69 3kk3 s PHE 389 Ca 0.07 1.32 0.00 0.00 -0.60 0.00 0.00 56.93 57.73 3kk3 s PHE 389 Cb -0.15 -2.60 0.09 0.00 0.51 0.00 0.00 43.02 40.87 3kk3 s PHE 389 CO 0.08 0.16 0.08 0.15 0.70 0.00 0.00 175.22 176.38 3kk3 s LYS 390 N -2.64 1.93 0.04 0.44 1.02 -0.95 -0.74 119.74 118.84 3kk3 s LYS 390 Ca 0.51 -1.68 -0.11 0.00 0.02 0.00 0.00 55.97 54.71 3kk3 s LYS 390 Cb -0.12 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 33.83 3kk3 s LYS 390 CO 0.18 -0.88 0.37 -0.51 -0.92 0.00 0.00 175.35 173.59 3kk3 s LEU 391 N 1.07 4.39 -1.29 3.17 1.43 -0.04 -3.34 118.68 124.08 3kk3 s LEU 391 Ca 0.05 0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 53.89 3kk3 s LEU 391 Cb -0.21 -2.79 0.15 0.00 0.03 0.00 0.00 46.19 43.37 3kk3 s LEU 391 CO -0.05 0.24 2.30 -0.81 0.23 0.00 0.00 176.35 178.26 3kk3 n PRO 392 N 1.23 4.67 -3.53 1.29 -0.04 -1.26 0.70 135.00 138.05 3kk3 n PRO 392 Ca -0.11 -3.61 -0.13 0.00 -0.04 0.00 0.00 63.50 59.62 3kk3 n PRO 392 Cb 0.52 -2.62 -0.04 0.00 -0.04 0.00 0.00 33.50 31.32 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 -1.47 0.03 0.11 0.52 2.07 -1.26 -4.93 121.20 116.26 3kk3 s ILE 393 Ca 0.52 -0.21 -0.24 0.00 -1.41 0.00 0.00 60.65 59.31 3kk3 s ILE 393 Cb 0.18 -1.02 -0.07 0.00 0.13 0.00 0.00 42.46 41.68 3kk3 s ILE 393 CO -0.09 -0.12 0.72 -1.58 -1.91 0.00 0.00 174.94 171.96 3kk3 s GLN 394 N -3.04 4.47 0.13 3.50 0.74 -1.26 -4.36 119.66 119.85 3kk3 s GLN 394 Ca -0.02 1.03 -0.30 0.00 0.05 0.00 0.00 55.36 56.13 3kk3 s GLN 394 Cb -0.00 -3.28 -0.06 0.00 1.10 0.00 0.00 33.01 30.77 3kk3 s GLN 394 CO -0.06 0.52 1.57 -0.22 -0.55 0.00 0.00 175.29 176.54 3kk3 h LYS 395 N 4.70 -0.44 -0.98 1.67 3.64 -1.98 0.13 116.57 123.31 3kk3 h LYS 395 Ca -0.47 0.03 0.23 0.00 -1.27 0.00 0.00 60.65 59.17 3kk3 h LYS 395 Cb 1.21 0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 32.94 3kk3 h LYS 395 CO 0.67 -0.30 -0.10 0.93 -2.27 0.00 0.00 179.45 178.38 3kk3 h GLU 396 N -0.46 0.01 0.39 1.90 4.39 -1.98 -0.46 114.58 118.37 3kk3 h GLU 396 Ca 0.08 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 3kk3 h GLU 396 Cb 0.63 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3kk3 h GLU 396 CO -0.47 0.00 -0.19 1.15 -1.16 0.00 0.00 179.01 178.35 3kk3 h THR 397 N 0.01 0.52 -0.84 1.13 2.02 -1.18 -1.28 112.91 113.29 3kk3 h THR 397 Ca 0.53 -0.54 0.20 0.00 0.77 0.00 0.00 66.41 67.37 3kk3 h THR 397 Cb 0.98 0.75 -0.12 0.00 -1.74 0.00 0.00 68.15 68.02 3kk3 h THR 397 CO -0.96 0.09 0.29 -0.25 0.37 0.00 0.00 175.52 175.06 3kk3 h TRP 398 N -0.88 0.46 0.00 3.16 2.91 -0.80 -2.76 115.95 118.04 3kk3 h TRP 398 Ca -0.05 0.04 -0.16 0.00 1.13 0.00 0.00 58.89 59.85 3kk3 h TRP 398 Cb 0.55 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 3kk3 h TRP 398 CO 0.02 -0.09 -0.77 0.93 -1.03 0.00 0.00 178.44 177.50 3kk3 h GLU 399 N 0.32 0.00 -0.76 2.65 5.08 -0.96 -1.58 114.58 119.33 3kk3 h GLU 399 Ca 0.51 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.86 3kk3 h GLU 399 Cb 0.94 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 3kk3 h GLU 399 CO -0.55 0.76 0.43 1.15 -1.00 0.00 0.00 179.01 179.80 3kk3 h THR 400 N 0.00 1.22 0.00 1.13 2.02 -0.93 -3.40 112.91 112.96 3kk3 h THR 400 Ca -0.01 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3kk3 h THR 400 Cb 1.59 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3kk3 h THR 400 CO 0.10 0.24 -0.07 0.79 0.37 0.00 0.00 175.52 176.95 3kk3 n TRP 401 N -4.47 0.00 0.17 3.16 8.01 -1.15 -4.82 117.44 118.34 3kk3 n TRP 401 Ca 0.07 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.30 3kk3 n TRP 401 Cb 0.08 -0.00 0.26 0.00 -2.01 0.00 0.00 31.31 29.64 3kk3 n TRP 401 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.69 176.79 3kk3 h TRP 402 N 0.00 0.00 0.00 -5.99 5.08 -1.50 -2.47 115.95 111.07 3kk3 h TRP 402 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3kk3 h TRP 402 Cb 0.03 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.19 3kk3 h TRP 402 CO 0.00 0.43 0.00 0.25 -1.28 0.00 0.00 178.44 177.84 3kk3 n THR 403 N -3.49 0.31 0.78 0.12 -2.24 -1.26 -2.59 114.28 105.91 3kk3 n THR 403 Ca 0.00 0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.99 3kk3 n THR 403 Cb 0.57 -0.71 0.50 0.00 -2.10 0.00 0.00 70.33 68.59 3kk3 n THR 403 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3kk3 n GLU 404 N -1.30 0.12 0.00 -0.78 4.07 -0.93 -3.82 120.64 118.00 3kk3 n GLU 404 Ca 0.10 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 3kk3 n GLU 404 Cb 0.18 -1.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.91 3kk3 n GLU 404 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3kk3 n TYR 405 N -1.87 0.00 -2.19 4.31 4.01 -1.07 -5.06 117.16 115.29 3kk3 n TYR 405 Ca 0.06 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.47 3kk3 n TYR 405 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.39 3kk3 n TYR 405 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3kk3 s TRP 406 N -0.05 2.95 0.00 -0.72 -0.11 -1.15 -4.87 118.94 114.99 3kk3 s TRP 406 Ca 0.00 1.53 0.00 0.00 1.22 0.00 0.00 56.10 58.85 3kk3 s TRP 406 Cb 0.00 -3.05 0.00 0.00 -1.50 0.00 0.00 33.47 28.92 3kk3 s TRP 406 CO 0.00 -1.09 0.00 1.04 -4.62 0.00 0.00 176.95 172.28 3kk3 n GLN 407 N -1.68 0.00 -0.47 5.86 1.13 -1.26 -4.86 117.38 116.09 3kk3 n GLN 407 Ca 0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 3kk3 n GLN 407 Cb 0.53 -0.18 0.00 0.00 0.11 0.00 0.00 30.24 30.70 3kk3 n GLN 407 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kk3 n ALA 408 N 0.00 0.00 0.00 -1.58 0.00 -1.26 -4.81 120.51 112.86 3kk3 n ALA 408 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kk3 n ALA 408 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3kk3 n ALA 408 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kk3 n THR 409 N -1.12 0.00 -3.78 0.00 -2.24 -1.26 -5.02 114.28 100.86 3kk3 n THR 409 Ca 0.00 -0.31 -0.21 0.00 -2.27 0.00 0.00 64.05 61.26 3kk3 n THR 409 Cb 0.00 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 3kk3 n THR 409 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3kk3 s TRP 410 N -0.70 2.97 -0.05 4.78 1.48 -1.26 -4.71 118.94 121.46 3kk3 s TRP 410 Ca 0.00 -0.26 -0.02 0.00 -1.06 0.00 0.00 56.10 54.76 3kk3 s TRP 410 Cb 0.00 -1.79 0.03 0.00 -1.16 0.00 0.00 33.47 30.55 3kk3 s TRP 410 CO 0.00 0.19 0.04 0.42 -4.06 0.00 0.00 176.95 173.54 3kk3 s ILE 411 N -2.26 0.01 0.53 0.66 1.01 -1.26 -5.02 121.20 114.86 3kk3 s ILE 411 Ca 0.41 0.35 -0.19 0.00 0.00 0.00 0.00 60.65 61.21 3kk3 s ILE 411 Cb -0.07 -0.24 -0.06 0.00 0.01 0.00 0.00 42.46 42.10 3kk3 s ILE 411 CO 0.27 0.20 1.07 -2.16 0.00 0.00 0.00 174.94 174.32 3kk3 s PRO 412 N 2.07 3.54 0.82 2.79 0.04 -1.26 -4.91 135.00 138.09 3kk3 s PRO 412 Ca 0.04 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 3kk3 s PRO 412 Cb -0.12 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.46 3kk3 s PRO 412 CO -0.03 -0.65 1.12 -1.21 0.04 0.00 0.00 177.00 176.26 3kk3 s GLU 413 N -3.45 1.76 0.23 4.56 2.02 -1.25 -4.93 118.70 117.65 3kk3 s GLU 413 Ca 0.68 1.36 -0.11 0.00 0.02 0.00 0.00 54.97 56.92 3kk3 s GLU 413 Cb -0.18 -1.83 -0.01 0.00 0.10 0.00 0.00 34.13 32.21 3kk3 s GLU 413 CO 0.26 -2.04 0.42 1.67 0.02 0.00 0.00 175.26 175.59 3kk3 s TRP 414 N -2.73 0.44 0.12 1.61 -2.14 -1.26 -1.96 118.94 113.02 3kk3 s TRP 414 Ca 0.64 -0.78 -0.16 0.00 2.66 0.00 0.00 56.10 58.45 3kk3 s TRP 414 Cb -0.20 0.09 0.04 0.00 -3.10 0.00 0.00 33.47 30.29 3kk3 s TRP 414 CO 0.56 -0.93 0.41 -1.83 -2.66 0.00 0.00 176.95 172.50 3kk3 s GLU 415 N -4.02 1.07 -0.09 3.25 -1.05 0.08 -4.87 118.70 113.07 3kk3 s GLU 415 Ca 0.23 -0.67 -0.04 0.00 -0.15 0.00 0.00 54.97 54.34 3kk3 s GLU 415 Cb 0.01 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 3kk3 s GLU 415 CO 0.08 -0.42 0.09 -0.06 0.95 0.00 0.00 175.26 175.90 3kk3 s PHE 416 N -3.71 3.41 0.06 4.83 0.08 -1.26 -0.86 117.98 120.54 3kk3 s PHE 416 Ca 0.02 0.37 0.10 0.00 0.12 0.00 0.00 56.93 57.54 3kk3 s PHE 416 Cb 0.02 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 3kk3 s PHE 416 CO -0.11 0.62 -0.26 0.08 -0.10 0.00 0.00 175.22 175.45 3kk3 s VAL 417 N -1.01 2.21 -0.99 -0.44 1.01 0.22 -4.82 120.40 116.57 3kk3 s VAL 417 Ca 0.16 -1.47 -0.04 0.00 0.00 0.00 0.00 61.98 60.63 3kk3 s VAL 417 Cb -0.12 -1.89 0.25 0.00 0.00 0.00 0.00 36.38 34.62 3kk3 s VAL 417 CO 0.05 0.30 0.95 0.59 0.00 0.00 0.00 175.10 176.99 3kk3 n ASN 418 N 1.56 4.81 -4.76 3.32 3.02 -1.26 -4.22 115.26 117.73 3kk3 n ASN 418 Ca -0.17 -3.11 -0.35 0.00 -0.03 0.00 0.00 54.58 50.92 3kk3 n ASN 418 Cb 0.52 -1.18 0.03 0.00 -0.61 0.00 0.00 39.78 38.54 3kk3 n ASN 418 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3kk3 s THR 419 N -1.43 2.86 0.26 3.41 -1.32 -1.26 -5.01 115.64 113.15 3kk3 s THR 419 Ca 0.29 0.51 -0.30 0.00 -1.21 0.00 0.00 61.69 60.99 3kk3 s THR 419 Cb -0.07 -3.15 -0.09 0.00 -1.51 0.00 0.00 72.50 67.67 3kk3 s THR 419 CO -0.10 -0.15 1.12 -2.16 -2.21 0.00 0.00 174.62 171.12 3kk3 s PRO 420 N -3.47 4.61 0.00 7.08 0.04 -1.26 -4.93 135.00 137.07 3kk3 s PRO 420 Ca 0.74 1.82 0.09 0.00 0.04 0.00 0.00 61.00 63.69 3kk3 s PRO 420 Cb -0.27 -3.20 0.49 0.00 0.04 0.00 0.00 34.50 31.56 3kk3 s PRO 420 CO 0.33 0.15 1.04 -0.35 0.04 0.00 0.00 177.00 178.21 3kk3 n PRO 421 N 1.46 0.22 0.04 0.56 -0.04 -1.26 -2.93 135.00 133.04 3kk3 n PRO 421 Ca -0.00 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 3kk3 n PRO 421 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 3kk3 n PRO 421 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3kk3 h LEU 422 N 0.00 -0.13 -1.85 1.53 -0.00 -1.98 -3.08 115.31 109.80 3kk3 h LEU 422 Ca 0.00 -0.42 -0.02 0.00 -0.00 0.00 0.00 57.88 57.44 3kk3 h LEU 422 Cb 0.03 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.72 3kk3 h LEU 422 CO 0.00 0.41 -0.09 0.58 -0.00 0.00 0.00 178.44 179.34 3kk3 h VAL 423 N -0.73 0.33 -0.04 1.22 2.07 -1.95 0.84 116.25 117.99 3kk3 h VAL 423 Ca -0.02 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3kk3 h VAL 423 Cb 0.54 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3kk3 h VAL 423 CO 0.03 0.09 0.25 0.50 0.02 0.00 0.00 177.57 178.45 3kk3 h LYS 424 N 0.00 0.00 0.00 1.57 3.64 -1.62 -2.99 116.57 117.17 3kk3 h LYS 424 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kk3 h LYS 424 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3kk3 h LYS 424 CO 0.01 0.00 0.00 -0.11 -2.27 0.00 0.00 179.45 177.08 3kk3 n LEU 425 N -3.07 1.52 -0.38 5.20 7.94 0.29 -4.50 117.00 124.00 3kk3 n LEU 425 Ca -0.01 -1.52 0.10 0.00 -1.11 0.00 0.00 56.01 53.47 3kk3 n LEU 425 Cb 0.32 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.24 3kk3 n LEU 425 CO 0.17 0.38 0.23 0.79 -1.11 0.00 0.00 177.39 177.85 3kk3 n TRP 426 N -0.27 0.00 -1.29 1.96 5.03 -1.04 -4.16 117.44 117.68 3kk3 n TRP 426 Ca 0.00 0.00 0.08 0.00 3.03 0.00 0.00 57.50 60.61 3kk3 n TRP 426 Cb 0.14 0.00 0.14 0.00 -1.03 0.00 0.00 31.31 30.57 3kk3 n TRP 426 CO 0.00 0.00 0.00 0.66 -0.03 0.00 0.00 177.69 178.32 3kk3 n TYR 427 N -0.33 0.00 -2.25 -5.99 4.01 -1.26 -4.72 117.16 106.63 3kk3 n TYR 427 Ca 0.08 -1.02 -0.41 0.00 -0.16 0.00 0.00 57.90 56.39 3kk3 n TYR 427 Cb 0.42 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 3kk3 n TYR 427 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3kk3 s GLN 428 N -2.67 4.43 0.24 -0.72 -1.52 -1.26 -4.97 119.66 113.19 3kk3 s GLN 428 Ca 0.31 2.04 0.03 0.00 -1.95 0.00 0.00 55.36 55.79 3kk3 s GLN 428 Cb 0.28 -3.16 0.03 0.00 -0.22 0.00 0.00 33.01 29.94 3kk3 s GLN 428 CO 0.00 -0.14 0.25 -0.11 -0.25 0.00 0.00 175.29 175.04 3kk3 n LEU 429 N 1.84 0.00 0.00 2.90 0.00 -1.26 -4.68 117.00 115.80 3kk3 n LEU 429 Ca 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 56.01 54.88 3kk3 n LEU 429 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 43.42 43.76 3kk3 n LEU 429 CO 0.57 -0.48 0.00 -1.84 0.00 0.00 0.00 177.39 175.65