#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm4 s MET 1 N 0.00 4.36 0.49 1.57 0.00 -1.26 -4.99 119.30 119.47 1lm4 s MET 1 Ca 0.00 1.40 -0.21 0.00 0.00 0.00 0.00 55.69 56.88 1lm4 s MET 1 Cb 0.00 -3.58 -0.07 0.00 0.00 0.00 0.00 34.83 31.18 1lm4 s MET 1 CO 0.00 -0.43 1.10 -0.51 0.00 0.00 0.00 175.02 175.17 1lm4 s LEU 2 N 2.45 3.88 0.00 4.11 1.43 -1.26 -5.05 118.68 124.24 1lm4 s LEU 2 Ca 0.47 2.11 0.07 0.00 -1.03 0.00 0.00 54.13 55.75 1lm4 s LEU 2 Cb -0.18 -4.46 -0.03 0.00 0.03 0.00 0.00 46.19 41.56 1lm4 s LEU 2 CO 0.14 -0.94 0.24 0.35 0.23 0.00 0.00 176.35 176.38 1lm4 n THR 3 N -0.89 0.00 0.26 5.49 -2.24 -1.26 -4.86 114.28 110.79 1lm4 n THR 3 Ca 0.09 -2.20 0.18 0.00 -2.27 0.00 0.00 64.05 59.85 1lm4 n THR 3 Cb 0.51 1.07 0.91 0.00 -2.10 0.00 0.00 70.33 70.72 1lm4 n THR 3 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1lm4 h MET 4 N 0.00 0.00 -0.12 -0.78 0.00 -1.86 -0.79 114.93 111.38 1lm4 h MET 4 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.48 1lm4 h MET 4 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.68 1lm4 h MET 4 CO 0.32 0.00 0.08 0.87 0.00 0.00 0.00 176.91 178.19 1lm4 h LYS 5 N 0.00 0.15 0.00 1.72 6.56 -1.95 -2.03 116.57 121.02 1lm4 h LYS 5 Ca 0.05 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1lm4 h LYS 5 Cb 0.41 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1lm4 h LYS 5 CO -0.00 0.10 -0.35 -0.25 -2.06 0.00 0.00 179.45 176.89 1lm4 n ASP 6 N -4.52 0.50 -4.59 0.86 8.00 -0.30 -4.81 116.55 111.69 1lm4 n ASP 6 Ca -0.01 0.16 -0.42 0.00 0.71 0.00 0.00 54.79 55.24 1lm4 n ASP 6 Cb 0.09 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 1lm4 n ASP 6 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lm4 s ILE 7 N -3.07 4.88 0.39 0.53 1.01 -0.76 -4.30 121.20 119.88 1lm4 s ILE 7 Ca 0.10 0.85 -0.23 0.00 0.00 0.00 0.00 60.65 61.37 1lm4 s ILE 7 Cb 0.16 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 1lm4 s ILE 7 CO 0.65 -0.24 0.99 0.27 0.00 0.00 0.00 174.94 176.62 1lm4 s ILE 8 N 2.75 4.05 0.20 2.92 -4.36 0.10 -4.99 121.20 121.88 1lm4 s ILE 8 Ca 0.27 1.49 0.04 0.00 -0.26 0.00 0.00 60.65 62.20 1lm4 s ILE 8 Cb -0.14 -3.73 -0.03 0.00 1.25 0.00 0.00 42.46 39.80 1lm4 s ILE 8 CO 0.13 -0.07 0.29 -0.13 0.24 0.00 0.00 174.94 175.41 1lm4 s ARG 9 N -2.63 3.33 -0.09 0.37 0.52 -1.26 -4.50 118.95 114.69 1lm4 s ARG 9 Ca 0.58 -0.75 -0.41 0.00 -0.52 0.00 0.00 55.73 54.63 1lm4 s ARG 9 Cb -0.17 -2.85 -0.19 0.00 0.52 0.00 0.00 34.95 32.26 1lm4 s ARG 9 CO 0.22 0.46 1.25 -3.47 0.02 0.00 0.00 175.30 173.78 1lm4 n ASP 10 N -1.00 0.62 0.00 0.23 2.03 0.01 -1.15 116.55 117.30 1lm4 n ASP 10 Ca -0.08 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.38 1lm4 n ASP 10 Cb 0.56 -0.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1lm4 n ASP 10 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lm4 n GLY 11 N 2.28 2.52 3.72 0.27 0.00 -1.26 -5.07 105.19 107.64 1lm4 n GLY 11 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1lm4 n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1lm4 s HIS 12 N -2.34 3.20 0.47 1.61 5.65 -0.30 -4.91 115.29 118.68 1lm4 s HIS 12 Ca 0.00 0.94 0.20 0.00 0.25 0.00 0.00 55.06 56.45 1lm4 s HIS 12 Cb 0.00 -3.72 1.21 0.00 -1.18 0.00 0.00 32.58 28.89 1lm4 s HIS 12 CO 0.00 -2.51 1.94 -1.35 -0.65 0.00 0.00 174.74 172.18 1lm4 h PRO 13 N 6.53 0.23 0.00 2.88 0.11 -1.98 -2.07 132.00 137.70 1lm4 h PRO 13 Ca -0.43 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1lm4 h PRO 13 Cb 1.21 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1lm4 h PRO 13 CO 0.86 0.15 -0.14 1.15 -0.21 0.00 0.00 178.00 179.81 1lm4 h THR 14 N 0.24 0.79 0.00 -1.15 2.02 -1.92 -1.42 112.91 111.47 1lm4 h THR 14 Ca 0.33 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1lm4 h THR 14 Cb 0.97 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1lm4 h THR 14 CO -0.07 0.13 0.00 -0.07 0.37 0.00 0.00 175.52 175.88 1lm4 h LEU 15 N 0.00 0.00 -1.66 2.58 3.38 -1.62 -2.91 115.31 115.08 1lm4 h LEU 15 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lm4 h LEU 15 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1lm4 h LEU 15 CO 0.02 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.09 1lm4 n ARG 16 N -2.36 1.26 -2.12 1.13 5.12 -0.55 -4.25 116.66 114.89 1lm4 n ARG 16 Ca 0.01 -1.48 -0.29 0.00 -1.93 0.00 0.00 57.85 54.17 1lm4 n ARG 16 Cb 0.21 -1.31 0.04 0.00 -1.16 0.00 0.00 32.46 30.24 1lm4 n ARG 16 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1lm4 s GLN 17 N -1.32 2.92 -0.27 5.56 -0.21 -1.10 -4.57 119.66 120.66 1lm4 s GLN 17 Ca 0.19 0.26 -0.17 0.00 0.02 0.00 0.00 55.36 55.66 1lm4 s GLN 17 Cb 0.13 -2.14 -0.03 0.00 1.00 0.00 0.00 33.01 31.98 1lm4 s GLN 17 CO 0.20 -0.86 0.48 0.15 -2.12 0.00 0.00 175.29 173.14 1lm4 s LYS 18 N -5.18 4.02 0.69 2.91 1.02 -1.26 -2.63 119.74 119.30 1lm4 s LYS 18 Ca 0.56 0.22 -0.14 0.00 0.02 0.00 0.00 55.97 56.63 1lm4 s LYS 18 Cb -0.11 -3.67 0.01 0.00 -0.52 0.00 0.00 37.83 33.55 1lm4 s LYS 18 CO 0.49 -0.36 1.10 0.00 -0.92 0.00 0.00 175.35 175.66 1lm4 s ALA 19 N 2.27 2.42 0.06 5.17 0.00 0.04 -4.97 121.76 126.75 1lm4 s ALA 19 Ca 0.20 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 1lm4 s ALA 19 Cb -0.16 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 1lm4 s ALA 19 CO 0.10 -1.39 0.99 0.00 0.00 0.00 0.00 175.76 175.46 1lm4 s ALA 20 N -2.49 3.22 0.35 0.00 0.00 -0.28 -4.67 121.76 117.89 1lm4 s ALA 20 Ca 0.65 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.92 1lm4 s ALA 20 Cb -0.19 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 1lm4 s ALA 20 CO 0.45 -0.15 1.34 -2.00 0.00 0.00 0.00 175.76 175.40 1lm4 s GLU 21 N 0.50 4.28 0.04 0.00 2.12 -1.26 -0.88 118.70 123.50 1lm4 s GLU 21 Ca 0.50 2.28 0.01 0.00 0.36 0.00 0.00 54.97 58.12 1lm4 s GLU 21 Cb -0.23 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1lm4 s GLU 21 CO 0.29 -0.27 0.10 -0.51 -0.54 0.00 0.00 175.26 174.33 1lm4 s LEU 22 N -1.90 3.92 0.30 2.70 1.43 -1.26 -4.92 118.68 118.95 1lm4 s LEU 22 Ca 0.50 0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 53.53 1lm4 s LEU 22 Cb -0.41 -2.46 -0.09 0.00 0.03 0.00 0.00 46.19 43.26 1lm4 s LEU 22 CO 0.55 0.22 0.74 -1.61 0.23 0.00 0.00 176.35 176.47 1lm4 s GLU 23 N -2.13 4.08 0.02 1.70 2.02 -1.26 -4.93 118.70 118.21 1lm4 s GLU 23 Ca 0.27 0.75 0.03 0.00 0.02 0.00 0.00 54.97 56.04 1lm4 s GLU 23 Cb -0.12 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 1lm4 s GLU 23 CO 0.19 0.21 -0.03 -0.51 0.02 0.00 0.00 175.26 175.15 1lm4 s LEU 24 N -2.71 3.35 0.57 1.80 2.01 -1.26 -3.96 118.68 118.48 1lm4 s LEU 24 Ca 0.51 -0.11 -0.18 0.00 0.01 0.00 0.00 54.13 54.36 1lm4 s LEU 24 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 46.19 44.07 1lm4 s LEU 24 CO 0.18 0.26 1.12 -2.16 1.01 0.00 0.00 176.35 176.76 1lm4 s PRO 25 N -1.68 3.23 0.73 1.29 0.04 -1.26 -5.12 135.00 132.23 1lm4 s PRO 25 Ca 0.20 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 1lm4 s PRO 25 Cb -0.11 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1lm4 s PRO 25 CO 0.11 -0.93 1.18 -0.51 0.04 0.00 0.00 177.00 176.89 1lm4 s LEU 26 N -4.08 3.30 0.80 -3.56 1.43 -1.25 -5.02 118.68 110.29 1lm4 s LEU 26 Ca 0.71 2.25 -0.11 0.00 -1.03 0.00 0.00 54.13 55.95 1lm4 s LEU 26 Cb -0.22 -4.58 0.07 0.00 0.03 0.00 0.00 46.19 41.49 1lm4 s LEU 26 CO 0.31 -2.17 1.10 0.42 0.23 0.00 0.00 176.35 176.23 1lm4 s THR 27 N -2.13 3.04 0.21 5.49 -4.23 -1.26 -4.85 115.64 111.92 1lm4 s THR 27 Ca 0.72 0.34 -0.10 0.00 -1.18 0.00 0.00 61.69 61.47 1lm4 s THR 27 Cb -0.26 -3.07 0.17 0.00 1.34 0.00 0.00 72.50 70.67 1lm4 s THR 27 CO 0.45 -0.44 1.87 0.50 -0.54 0.00 0.00 174.62 176.46 1lm4 h LYS 28 N -1.11 1.05 -0.99 3.99 1.63 -1.99 -1.11 116.57 118.03 1lm4 h LYS 28 Ca -0.47 -0.08 0.01 0.00 -0.85 0.00 0.00 60.65 59.26 1lm4 h LYS 28 Cb 1.27 -0.23 -0.05 0.00 -0.60 0.00 0.00 32.23 32.62 1lm4 h LYS 28 CO 0.59 0.72 0.65 1.49 -3.45 0.00 0.00 179.45 179.45 1lm4 h GLU 29 N 1.07 1.29 -0.49 1.90 4.81 -1.99 -0.31 114.58 120.86 1lm4 h GLU 29 Ca 0.28 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1lm4 h GLU 29 Cb -0.08 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 28.99 1lm4 h GLU 29 CO -0.06 0.85 -0.03 0.93 -0.73 0.00 0.00 179.01 179.98 1lm4 h GLU 30 N 1.33 0.88 -0.64 1.92 5.08 -1.71 0.36 114.58 121.80 1lm4 h GLU 30 Ca 0.36 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1lm4 h GLU 30 Cb -0.14 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1lm4 h GLU 30 CO -0.08 0.93 0.39 0.87 -1.00 0.00 0.00 179.01 180.12 1lm4 h LYS 31 N 0.74 0.87 -0.41 2.33 1.57 -0.79 -1.52 116.57 119.35 1lm4 h LYS 31 Ca 0.13 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1lm4 h LYS 31 Cb 0.56 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1lm4 h LYS 31 CO 0.03 0.62 0.13 0.93 -0.57 0.00 0.00 179.45 180.58 1lm4 h GLU 32 N 0.87 0.59 -0.19 3.15 5.08 -0.73 -1.14 114.58 122.22 1lm4 h GLU 32 Ca 0.23 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1lm4 h GLU 32 Cb -0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1lm4 h GLU 32 CO -0.04 0.52 -0.01 1.15 -1.00 0.00 0.00 179.01 179.63 1lm4 h THR 33 N 0.59 1.26 -0.51 1.13 2.02 -0.38 0.91 112.91 117.93 1lm4 h THR 33 Ca 0.14 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1lm4 h THR 33 Cb 0.18 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1lm4 h THR 33 CO -0.01 0.27 0.24 -0.07 0.37 0.00 0.00 175.52 176.33 1lm4 h LEU 34 N 0.08 0.67 -0.75 2.58 3.38 -0.87 0.85 115.31 121.26 1lm4 h LEU 34 Ca 0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1lm4 h LEU 34 Cb 0.42 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1lm4 h LEU 34 CO 0.01 0.62 0.29 0.40 0.09 0.00 0.00 178.44 179.85 1lm4 h ILE 35 N 0.68 1.26 -0.30 1.22 2.04 -1.09 -0.89 117.51 120.43 1lm4 h ILE 35 Ca 0.17 -0.82 -0.12 0.00 1.00 0.00 0.00 64.86 65.09 1lm4 h ILE 35 Cb 0.13 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1lm4 h ILE 35 CO -0.02 0.33 -0.31 0.00 0.00 0.00 0.00 178.15 178.15 1lm4 h ALA 36 N 1.15 0.90 -0.18 1.87 0.00 -0.44 0.27 119.26 122.82 1lm4 h ALA 36 Ca 0.25 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1lm4 h ALA 36 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1lm4 h ALA 36 CO -0.02 0.62 0.07 0.52 0.00 0.00 0.00 179.25 180.45 1lm4 h MET 37 N 0.54 0.27 -0.64 0.00 2.86 -0.39 0.73 114.93 118.30 1lm4 h MET 37 Ca 0.06 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1lm4 h MET 37 Cb 0.81 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 1lm4 h MET 37 CO 0.07 0.35 0.41 -0.09 1.06 0.00 0.00 176.91 178.71 1lm4 h ARG 38 N 0.13 0.78 -0.70 1.72 2.43 -0.99 -1.94 114.38 115.81 1lm4 h ARG 38 Ca 0.06 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1lm4 h ARG 38 Cb 0.19 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1lm4 h ARG 38 CO -0.00 0.52 0.43 1.49 -1.51 0.00 0.00 179.97 180.89 1lm4 h GLU 39 N 0.81 0.94 -0.64 0.20 4.81 -0.69 -0.29 114.58 119.71 1lm4 h GLU 39 Ca 0.25 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1lm4 h GLU 39 Cb -0.01 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1lm4 h GLU 39 CO -0.09 0.66 0.36 0.35 -0.73 0.00 0.00 179.01 179.56 1lm4 h PHE 40 N 0.96 0.87 -0.48 0.92 3.04 -0.13 0.73 116.94 122.85 1lm4 h PHE 40 Ca 0.25 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 1lm4 h PHE 40 Cb -0.05 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.16 1lm4 h PHE 40 CO 0.00 0.62 0.20 -0.07 -2.02 0.00 0.00 178.31 177.04 1lm4 h LEU 41 N 0.87 0.66 0.06 0.59 3.38 -0.54 0.19 115.31 120.52 1lm4 h LEU 41 Ca 0.23 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1lm4 h LEU 41 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1lm4 h LEU 41 CO -0.04 0.64 -0.14 0.58 0.09 0.00 0.00 178.44 179.57 1lm4 h VAL 42 N 0.64 0.66 -0.89 1.22 2.07 -0.67 -2.41 116.25 116.87 1lm4 h VAL 42 Ca 0.16 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1lm4 h VAL 42 Cb 0.19 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1lm4 h VAL 42 CO -0.01 0.00 0.58 0.78 0.02 0.00 0.00 177.57 178.93 1lm4 h ASN 43 N -0.27 1.03 0.36 0.57 -0.26 -0.58 -2.23 115.58 114.20 1lm4 h ASN 43 Ca 0.03 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1lm4 h ASN 43 Cb 0.30 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.30 1lm4 h ASN 43 CO -0.10 0.76 -0.06 0.77 -1.06 0.00 0.00 177.43 177.74 1lm4 h SER 44 N 1.21 0.00 0.29 5.81 4.64 -0.19 -2.00 113.55 123.31 1lm4 h SER 44 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1lm4 h SER 44 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1lm4 h SER 44 CO -0.07 0.06 -0.37 0.00 -0.87 0.00 0.00 176.83 175.59 1lm4 n GLN 45 N -3.43 0.59 -3.28 4.77 6.02 -0.86 -3.96 117.38 117.23 1lm4 n GLN 45 Ca -0.02 -0.36 -0.40 0.00 -0.01 0.00 0.00 57.00 56.21 1lm4 n GLN 45 Cb 0.20 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 29.88 1lm4 n GLN 45 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1lm4 s ASP 46 N -2.66 6.35 0.15 1.08 -1.08 -0.76 -4.98 116.67 114.78 1lm4 s ASP 46 Ca 0.20 0.32 -0.23 0.00 -0.52 0.00 0.00 52.55 52.32 1lm4 s ASP 46 Cb 0.19 -2.26 0.03 0.00 -1.46 0.00 0.00 42.92 39.42 1lm4 s ASP 46 CO 0.59 -0.30 1.61 -0.33 0.52 0.00 0.00 175.17 177.25 1lm4 h GLU 47 N 8.17 -0.27 -0.31 4.34 3.07 -1.87 0.15 114.58 127.86 1lm4 h GLU 47 Ca -0.29 0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.52 1lm4 h GLU 47 Cb 1.14 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 1lm4 h GLU 47 CO 0.71 -0.18 -0.05 0.93 -1.40 0.00 0.00 179.01 179.02 1lm4 h GLU 48 N -0.28 0.58 -0.03 2.33 4.39 -1.93 -2.01 114.58 117.62 1lm4 h GLU 48 Ca 0.15 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1lm4 h GLU 48 Cb 0.52 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1lm4 h GLU 48 CO -0.46 0.75 0.02 0.82 -1.16 0.00 0.00 179.01 178.98 1lm4 h ILE 49 N 0.35 1.04 -0.86 3.13 2.04 -1.78 0.78 117.51 122.21 1lm4 h ILE 49 Ca 0.08 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1lm4 h ILE 49 Cb 0.52 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 1lm4 h ILE 49 CO 0.03 0.03 0.56 0.00 0.00 0.00 0.00 178.15 178.77 1lm4 h ALA 50 N 0.97 1.11 -0.29 1.87 0.00 -0.66 0.70 119.26 122.96 1lm4 h ALA 50 Ca 0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1lm4 h ALA 50 Cb 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1lm4 h ALA 50 CO -0.00 0.44 -0.40 -0.22 0.00 0.00 0.00 179.25 179.07 1lm4 h LYS 51 N 1.12 0.79 -0.71 0.00 3.64 -1.03 0.52 116.57 120.89 1lm4 h LYS 51 Ca 0.33 -0.46 0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1lm4 h LYS 51 Cb -0.06 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1lm4 h LYS 51 CO -0.09 1.08 0.47 -0.09 -2.27 0.00 0.00 179.45 178.55 1lm4 h ARG 52 N 0.55 0.57 -0.14 1.90 2.43 0.17 -2.94 114.38 116.91 1lm4 h ARG 52 Ca 0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1lm4 h ARG 52 Cb 0.99 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1lm4 h ARG 52 CO 0.09 0.38 0.00 0.66 -1.51 0.00 0.00 179.97 179.59 1lm4 n TYR 53 N -4.49 0.19 -2.33 2.20 4.01 0.13 -5.01 117.16 111.86 1lm4 n TYR 53 Ca 0.12 -0.43 -0.13 0.00 -0.16 0.00 0.00 57.90 57.30 1lm4 n TYR 53 Cb 0.35 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.35 1lm4 n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1lm4 n GLY 54 N 0.01 -0.14 3.80 2.72 0.00 0.88 -4.70 105.19 107.76 1lm4 n GLY 54 Ca 0.05 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1lm4 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lm4 s LEU 55 N -3.78 4.56 -0.06 0.99 1.43 0.14 -4.76 118.68 117.19 1lm4 s LEU 55 Ca 0.03 1.43 -0.18 0.00 -1.03 0.00 0.00 54.13 54.38 1lm4 s LEU 55 Cb -0.02 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 1lm4 s LEU 55 CO 0.04 0.25 0.49 -0.13 0.23 0.00 0.00 176.35 177.23 1lm4 s ARG 56 N -1.13 4.25 0.46 1.70 0.52 -1.26 -4.67 118.95 118.81 1lm4 s ARG 56 Ca 0.32 0.52 -0.25 0.00 -0.52 0.00 0.00 55.73 55.79 1lm4 s ARG 56 Cb -0.21 -3.37 -0.08 0.00 0.52 0.00 0.00 34.95 31.81 1lm4 s ARG 56 CO 0.22 0.33 1.41 0.45 0.02 0.00 0.00 175.30 177.73 1lm4 n SER 57 N 3.02 3.21 -3.61 0.23 2.88 -1.25 -4.83 113.62 113.27 1lm4 n SER 57 Ca -0.08 1.11 -0.12 0.00 -1.33 0.00 0.00 58.87 58.44 1lm4 n SER 57 Cb 0.52 -1.59 -0.05 0.00 -0.75 0.00 0.00 64.21 62.33 1lm4 n SER 57 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1lm4 s GLY 58 N -0.50 -0.34 0.00 0.46 0.00 -1.26 -4.93 107.32 100.75 1lm4 s GLY 58 Ca 0.62 0.27 0.01 0.00 0.00 0.00 0.00 44.72 45.62 1lm4 s GLY 58 CO 0.57 -0.00 0.31 3.33 0.00 0.00 0.00 173.10 177.31 1lm4 n VAL 59 N 0.15 0.00 -3.82 1.40 0.24 -1.26 -4.75 118.33 110.28 1lm4 n VAL 59 Ca -0.17 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.34 61.52 1lm4 n VAL 59 Cb 0.62 1.01 -0.09 0.00 -1.47 0.00 0.00 33.84 33.91 1lm4 n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1lm4 s GLY 60 N -0.55 -0.03 -0.20 7.63 0.00 -1.26 -0.58 107.32 112.33 1lm4 s GLY 60 Ca 0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 44.72 44.58 1lm4 s GLY 60 CO 0.03 -0.21 0.50 -2.27 0.00 0.00 0.00 173.10 171.15 1lm4 s LEU 61 N -1.63 -0.36 0.07 0.66 2.96 -0.24 -4.89 118.68 115.25 1lm4 s LEU 61 Ca -0.11 1.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.94 1lm4 s LEU 61 Cb -0.04 1.68 -0.04 0.00 0.50 0.00 0.00 46.19 48.29 1lm4 s LEU 61 CO 0.00 -0.21 -0.04 0.00 -1.32 0.00 0.00 176.35 174.79 1lm4 s ALA 62 N 1.44 3.15 0.38 5.97 0.00 -1.26 -0.83 121.76 130.61 1lm4 s ALA 62 Ca -0.09 -1.11 0.11 0.00 0.00 0.00 0.00 51.96 50.86 1lm4 s ALA 62 Cb -0.07 -1.12 0.88 0.00 0.00 0.00 0.00 23.12 22.81 1lm4 s ALA 62 CO -0.15 0.66 1.91 0.00 0.00 0.00 0.00 175.76 178.18 1lm4 h ALA 63 N 3.80 1.90 -0.19 0.00 0.00 -1.20 0.39 119.26 123.95 1lm4 h ALA 63 Ca -0.48 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.49 1lm4 h ALA 63 Cb 1.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1lm4 h ALA 63 CO 0.56 -0.10 0.16 -1.35 0.00 0.00 0.00 179.25 178.52 1lm4 h PRO 64 N 0.61 0.00 0.00 0.00 0.11 -1.54 0.08 132.00 131.25 1lm4 h PRO 64 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1lm4 h PRO 64 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1lm4 h PRO 64 CO -0.15 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.68 1lm4 n GLN 65 N -4.22 0.17 -0.70 1.05 6.02 0.13 -1.03 117.38 118.80 1lm4 n GLN 65 Ca 0.02 0.39 -0.01 0.00 -0.01 0.00 0.00 57.00 57.39 1lm4 n GLN 65 Cb 0.30 -1.81 0.22 0.00 1.02 0.00 0.00 30.24 29.96 1lm4 n GLN 65 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1lm4 n ILE 66 N -2.12 2.49 -2.42 5.09 -5.35 -0.07 -0.72 119.36 116.26 1lm4 n ILE 66 Ca 0.02 -2.42 -0.13 0.00 -0.27 0.00 0.00 62.75 59.95 1lm4 n ILE 66 Cb 0.23 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 1lm4 n ILE 66 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1lm4 n ASN 67 N -0.94 -4.17 -4.02 7.28 5.15 -0.20 -4.94 115.26 113.43 1lm4 n ASN 67 Ca 0.30 -0.07 -0.31 0.00 -0.60 0.00 0.00 54.58 53.90 1lm4 n ASN 67 Cb 1.02 -3.25 -0.15 0.00 -0.53 0.00 0.00 39.78 36.87 1lm4 n ASN 67 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1lm4 s ILE 68 N -2.75 1.97 -1.40 -1.44 1.01 -0.71 -4.99 121.20 112.90 1lm4 s ILE 68 Ca 0.07 -1.63 -0.11 0.00 0.00 0.00 0.00 60.65 58.98 1lm4 s ILE 68 Cb -0.03 -2.19 0.08 0.00 0.01 0.00 0.00 42.46 40.33 1lm4 s ILE 68 CO 0.09 -0.16 2.15 -0.24 0.00 0.00 0.00 174.94 176.78 1lm4 n SER 69 N 4.48 4.89 -4.05 3.58 2.88 -1.26 -1.72 113.62 122.42 1lm4 n SER 69 Ca -0.10 -2.94 -0.12 0.00 -1.33 0.00 0.00 58.87 54.37 1lm4 n SER 69 Cb 0.43 -1.57 -0.11 0.00 -0.75 0.00 0.00 64.21 62.21 1lm4 n SER 69 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1lm4 s LYS 70 N 1.82 0.50 -1.32 -1.46 1.02 -1.26 -1.13 119.74 117.90 1lm4 s LYS 70 Ca 0.46 -0.75 -0.16 0.00 0.02 0.00 0.00 55.97 55.55 1lm4 s LYS 70 Cb 0.13 -0.22 0.08 0.00 -0.52 0.00 0.00 37.83 37.30 1lm4 s LYS 70 CO -0.05 0.03 1.82 0.54 -0.92 0.00 0.00 175.35 176.77 1lm4 n ARG 71 N 1.45 3.17 -3.97 1.68 1.74 -0.06 -4.41 116.66 116.26 1lm4 n ARG 71 Ca -0.23 -3.22 -0.14 0.00 -0.77 0.00 0.00 57.85 53.49 1lm4 n ARG 71 Cb 0.55 -3.34 -0.14 0.00 -1.02 0.00 0.00 32.46 28.50 1lm4 n ARG 71 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1lm4 s MET 72 N 3.32 0.18 0.05 5.56 -1.94 -1.26 -0.68 119.30 124.53 1lm4 s MET 72 Ca 0.50 -0.05 0.01 0.00 -1.71 0.00 0.00 55.69 54.44 1lm4 s MET 72 Cb 0.06 -0.21 -0.03 0.00 2.01 0.00 0.00 34.83 36.66 1lm4 s MET 72 CO 0.02 0.02 -0.05 0.96 -0.01 0.00 0.00 175.02 175.96 1lm4 s ILE 73 N 0.12 0.39 -0.06 2.53 -4.36 -0.47 -0.85 121.20 118.49 1lm4 s ILE 73 Ca -0.01 -1.35 0.04 0.00 -0.26 0.00 0.00 60.65 59.07 1lm4 s ILE 73 Cb -0.03 -0.92 0.00 0.00 1.25 0.00 0.00 42.46 42.77 1lm4 s ILE 73 CO -0.00 -0.64 -0.19 0.00 0.24 0.00 0.00 174.94 174.35 1lm4 s ALA 74 N -2.37 1.71 -0.05 2.27 0.00 -0.01 -0.75 121.76 122.56 1lm4 s ALA 74 Ca -0.04 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1lm4 s ALA 74 Cb -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1lm4 s ALA 74 CO -0.03 0.27 -0.16 0.08 0.00 0.00 0.00 175.76 175.92 1lm4 s VAL 75 N 0.22 1.37 -0.35 0.00 1.01 0.21 -1.08 120.40 121.78 1lm4 s VAL 75 Ca -0.10 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1lm4 s VAL 75 Cb -0.14 -1.20 0.14 0.00 0.00 0.00 0.00 36.38 35.18 1lm4 s VAL 75 CO 0.04 0.40 0.23 -0.22 0.00 0.00 0.00 175.10 175.56 1lm4 s LEU 76 N 0.27 0.75 -0.31 3.92 2.96 0.25 -0.90 118.68 125.62 1lm4 s LEU 76 Ca -0.09 -1.99 -0.07 0.00 -0.22 0.00 0.00 54.13 51.76 1lm4 s LEU 76 Cb -0.13 -0.22 0.02 0.00 0.50 0.00 0.00 46.19 46.36 1lm4 s LEU 76 CO 0.03 -0.31 0.10 -0.63 -1.32 0.00 0.00 176.35 174.21 1lm4 s ILE 77 N 1.23 3.94 0.84 6.68 1.01 0.59 -4.49 121.20 131.00 1lm4 s ILE 77 Ca 0.17 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 1lm4 s ILE 77 Cb -0.21 -3.10 0.10 0.00 0.01 0.00 0.00 42.46 39.25 1lm4 s ILE 77 CO -0.03 -0.02 1.10 -2.16 0.00 0.00 0.00 174.94 173.83 1lm4 s PRO 78 N 1.47 1.72 -0.15 2.79 0.04 -1.26 -0.88 135.00 138.73 1lm4 s PRO 78 Ca 0.01 1.15 -0.41 0.00 0.04 0.00 0.00 61.00 61.79 1lm4 s PRO 78 Cb -0.18 -1.84 -0.18 0.00 0.04 0.00 0.00 34.50 32.34 1lm4 s PRO 78 CO 0.03 -2.01 1.39 -3.47 0.04 0.00 0.00 177.00 172.97 1lm4 n ASP 79 N -3.77 1.15 -0.39 6.66 -0.08 -1.26 -4.73 116.55 114.13 1lm4 n ASP 79 Ca 0.09 1.14 0.04 0.00 -1.51 0.00 0.00 54.79 54.55 1lm4 n ASP 79 Cb 0.53 -1.02 0.15 0.00 2.34 0.00 0.00 41.12 43.12 1lm4 n ASP 79 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1lm4 n ASP 80 N 3.08 1.13 0.00 1.67 5.75 -0.98 -4.84 116.55 122.37 1lm4 n ASP 80 Ca 0.23 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 1lm4 n ASP 80 Cb 0.08 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1lm4 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lm4 n GLY 81 N 0.87 1.36 0.05 6.12 0.00 -1.26 -4.91 105.19 107.42 1lm4 n GLY 81 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1lm4 n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lm4 n SER 82 N 0.00 1.10 0.00 1.61 3.41 -1.26 -4.95 113.62 113.52 1lm4 n SER 82 Ca 0.00 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 1lm4 n SER 82 Cb 0.00 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1lm4 n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lm4 n GLY 83 N 1.48 1.37 3.70 5.00 0.00 -1.26 -5.05 105.19 110.42 1lm4 n GLY 83 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1lm4 n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lm4 s LYS 84 N -0.95 4.49 0.05 1.61 1.02 -1.26 -4.93 119.74 119.76 1lm4 s LYS 84 Ca 0.00 1.44 -0.09 0.00 0.02 0.00 0.00 55.97 57.35 1lm4 s LYS 84 Cb 0.00 -3.49 -0.00 0.00 -0.52 0.00 0.00 37.83 33.82 1lm4 s LYS 84 CO 0.00 -0.19 0.18 -1.54 -0.92 0.00 0.00 175.35 172.88 1lm4 s SER 85 N 1.07 0.08 -0.25 2.83 1.04 -1.26 -2.31 113.70 114.91 1lm4 s SER 85 Ca 0.51 -0.47 -0.00 0.00 0.48 0.00 0.00 55.95 56.47 1lm4 s SER 85 Cb -0.21 0.29 0.07 0.00 0.10 0.00 0.00 66.02 66.27 1lm4 s SER 85 CO 0.24 -0.59 0.01 -0.31 0.98 0.00 0.00 173.24 173.56 1lm4 s TYR 86 N -2.90 2.01 -0.36 5.02 1.51 -0.06 -4.98 117.35 117.59 1lm4 s TYR 86 Ca -0.02 -1.61 0.01 0.00 -1.01 0.00 0.00 57.07 54.43 1lm4 s TYR 86 Cb 0.00 -1.56 0.11 0.00 -0.11 0.00 0.00 41.96 40.41 1lm4 s TYR 86 CO -0.06 -0.77 0.15 0.34 -1.11 0.00 0.00 175.55 174.11 1lm4 s ASP 87 N 1.52 3.91 -0.05 2.29 -1.08 -1.25 -0.30 116.67 121.71 1lm4 s ASP 87 Ca -0.00 -2.05 0.00 0.00 -0.52 0.00 0.00 52.55 49.98 1lm4 s ASP 87 Cb -0.18 -0.96 0.02 0.00 -1.46 0.00 0.00 42.92 40.34 1lm4 s ASP 87 CO -0.11 -0.36 -0.03 -0.31 0.52 0.00 0.00 175.17 174.89 1lm4 s TYR 88 N 1.09 0.63 -0.31 -5.34 2.02 -0.08 -5.01 117.35 110.36 1lm4 s TYR 88 Ca 0.13 -0.15 -0.08 0.00 -0.37 0.00 0.00 57.07 56.60 1lm4 s TYR 88 Cb -0.20 -0.63 0.00 0.00 -0.40 0.00 0.00 41.96 40.73 1lm4 s TYR 88 CO -0.14 -0.20 0.12 -1.64 -1.57 0.00 0.00 175.55 172.12 1lm4 s MET 89 N 1.14 3.16 0.02 -0.62 -1.94 -1.26 -0.62 119.30 119.19 1lm4 s MET 89 Ca -0.08 -0.82 0.08 0.00 -1.71 0.00 0.00 55.69 53.16 1lm4 s MET 89 Cb -0.14 -3.47 -0.02 0.00 2.01 0.00 0.00 34.83 33.20 1lm4 s MET 89 CO -0.01 -0.45 -0.24 -0.51 -0.01 0.00 0.00 175.02 173.79 1lm4 s LEU 90 N 1.55 2.13 -0.07 -0.03 1.43 0.08 -3.99 118.68 119.77 1lm4 s LEU 90 Ca 0.03 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1lm4 s LEU 90 Cb -0.17 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 1lm4 s LEU 90 CO 0.04 0.25 -0.13 -0.69 0.23 0.00 0.00 176.35 176.05 1lm4 s VAL 91 N -0.72 3.12 -1.56 -1.59 1.01 0.71 -1.37 120.40 120.01 1lm4 s VAL 91 Ca 0.10 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 1lm4 s VAL 91 Cb -0.09 -2.25 0.09 0.00 0.00 0.00 0.00 36.38 34.12 1lm4 s VAL 91 CO 0.01 0.57 0.76 0.59 0.00 0.00 0.00 175.10 177.03 1lm4 n ASN 92 N 2.63 -2.92 -4.77 3.32 3.02 0.15 -0.76 115.26 115.92 1lm4 n ASN 92 Ca -0.17 -0.93 -0.40 0.00 -0.03 0.00 0.00 54.58 53.05 1lm4 n ASN 92 Cb 0.52 -3.25 -0.02 0.00 -0.61 0.00 0.00 39.78 36.42 1lm4 n ASN 92 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1lm4 s PRO 93 N -6.69 4.19 -0.09 3.52 0.04 -1.26 -4.53 135.00 130.18 1lm4 s PRO 93 Ca 0.50 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 63.56 1lm4 s PRO 93 Cb -0.26 -2.89 0.03 0.00 0.04 0.00 0.00 34.50 31.41 1lm4 s PRO 93 CO 0.88 -0.28 0.22 0.21 0.04 0.00 0.00 177.00 178.07 1lm4 s LYS 94 N -2.02 0.22 -0.12 4.56 2.20 -0.13 -5.00 119.74 119.47 1lm4 s LYS 94 Ca 0.53 0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 56.23 1lm4 s LYS 94 Cb -0.37 0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 35.94 1lm4 s LYS 94 CO 0.48 -0.09 1.37 0.42 -0.36 0.00 0.00 175.35 177.17 1lm4 s ILE 95 N 0.61 4.05 -0.11 5.43 1.01 -1.26 -1.19 121.20 129.74 1lm4 s ILE 95 Ca -0.04 1.30 0.20 0.00 0.00 0.00 0.00 60.65 62.11 1lm4 s ILE 95 Cb -0.05 -3.84 -0.29 0.00 0.01 0.00 0.00 42.46 38.29 1lm4 s ILE 95 CO -0.03 -0.10 0.35 1.33 0.00 0.00 0.00 174.94 176.49 1lm4 n VAL 96 N 5.30 0.62 -3.71 2.92 0.24 0.46 -4.95 118.33 119.22 1lm4 n VAL 96 Ca 0.15 -0.65 -0.09 0.00 -2.04 0.00 0.00 64.34 61.70 1lm4 n VAL 96 Cb 0.44 -0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 32.57 1lm4 n VAL 96 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1lm4 s SER 97 N -4.98 -0.36 0.19 -1.34 1.04 -1.17 -5.00 113.70 102.08 1lm4 s SER 97 Ca -0.08 -0.40 -0.10 0.00 0.48 0.00 0.00 55.95 55.85 1lm4 s SER 97 Cb 0.11 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.89 1lm4 s SER 97 CO 0.87 -1.20 0.34 -1.38 0.98 0.00 0.00 173.24 172.85 1lm4 s HIS 98 N -3.86 0.42 0.34 5.02 -0.00 -1.26 -1.00 115.29 114.94 1lm4 s HIS 98 Ca 0.08 -0.77 -0.06 0.00 -0.00 0.00 0.00 55.06 54.31 1lm4 s HIS 98 Cb -0.04 -0.01 0.09 0.00 -0.00 0.00 0.00 32.58 32.62 1lm4 s HIS 98 CO -0.00 -0.80 0.24 -1.13 -0.00 0.00 0.00 174.74 173.05 1lm4 n SER 99 N -0.27 -2.00 0.04 7.38 3.41 0.22 -4.96 113.62 117.44 1lm4 n SER 99 Ca -0.05 -0.41 -0.22 0.00 -0.26 0.00 0.00 58.87 57.93 1lm4 n SER 99 Cb 0.63 -0.25 -0.14 0.00 -0.26 0.00 0.00 64.21 64.19 1lm4 n SER 99 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1lm4 h VAL 100 N -2.15 0.83 -2.86 -3.33 2.07 -2.00 -3.48 116.25 105.33 1lm4 h VAL 100 Ca -0.10 -2.43 -0.61 0.00 0.82 0.00 0.00 66.70 64.38 1lm4 h VAL 100 Cb 0.32 2.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 1lm4 h VAL 100 CO 0.06 0.85 -0.50 -1.10 0.02 0.00 0.00 177.57 176.90 1lm4 s GLN 101 N -2.56 3.39 0.24 1.57 -0.21 -1.26 -5.03 119.66 115.80 1lm4 s GLN 101 Ca -0.19 -0.49 -0.13 0.00 0.02 0.00 0.00 55.36 54.57 1lm4 s GLN 101 Cb 0.06 -3.00 -0.08 0.00 1.00 0.00 0.00 33.01 30.99 1lm4 s GLN 101 CO 0.81 0.59 0.61 -1.21 -2.12 0.00 0.00 175.29 173.97 1lm4 s GLU 102 N -2.65 3.92 0.11 2.91 2.02 -1.26 -1.06 118.70 122.69 1lm4 s GLU 102 Ca 0.34 0.45 -0.00 0.00 0.02 0.00 0.00 54.97 55.79 1lm4 s GLU 102 Cb -0.13 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 1lm4 s GLU 102 CO 0.28 0.31 0.01 0.00 0.02 0.00 0.00 175.26 175.88 1lm4 s ALA 103 N -1.77 0.86 -0.03 5.21 0.00 0.84 -0.89 121.76 125.98 1lm4 s ALA 103 Ca 0.47 -1.40 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 1lm4 s ALA 103 Cb -0.12 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.60 1lm4 s ALA 103 CO 0.20 -0.40 0.43 1.52 0.00 0.00 0.00 175.76 177.51 1lm4 s TYR 104 N -3.90 -0.34 -0.03 0.00 1.13 -0.76 -0.37 117.35 113.08 1lm4 s TYR 104 Ca 0.18 0.57 -0.30 0.00 -1.41 0.00 0.00 57.07 56.11 1lm4 s TYR 104 Cb 0.07 0.20 -0.03 0.00 -1.10 0.00 0.00 41.96 41.10 1lm4 s TYR 104 CO -0.02 -0.46 1.04 -0.51 -2.51 0.00 0.00 175.55 173.10 1lm4 s LEU 105 N -1.24 4.32 0.57 -3.49 1.43 -1.26 -0.75 118.68 118.26 1lm4 s LEU 105 Ca -0.12 1.69 0.30 0.00 -1.03 0.00 0.00 54.13 54.96 1lm4 s LEU 105 Cb -0.03 -3.57 1.70 0.00 0.03 0.00 0.00 46.19 44.32 1lm4 s LEU 105 CO 0.06 -0.38 2.18 1.55 0.23 0.00 0.00 176.35 179.99 1lm4 h PRO 106 N 6.96 0.00 -0.59 1.29 0.13 -1.95 -1.57 132.00 136.27 1lm4 h PRO 106 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1lm4 h PRO 106 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1lm4 h PRO 106 CO 0.80 0.05 0.00 0.25 -0.23 0.00 0.00 178.00 178.87 1lm4 n THR 107 N -3.69 1.05 -4.02 1.56 -2.24 -1.26 -4.98 114.28 100.69 1lm4 n THR 107 Ca -0.02 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1lm4 n THR 107 Cb 0.15 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1lm4 n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lm4 n GLY 108 N 1.17 -1.99 3.52 3.38 0.00 -0.59 -4.94 105.19 105.75 1lm4 n GLY 108 Ca 0.19 -1.40 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 1lm4 n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lm4 s GLU 109 N 0.00 1.77 0.00 1.61 2.02 -1.26 -4.72 118.70 118.12 1lm4 s GLU 109 Ca 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 54.97 53.04 1lm4 s GLU 109 Cb 0.00 -1.41 0.00 0.00 0.10 0.00 0.00 34.13 32.82 1lm4 s GLU 109 CO 0.00 -0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.69 1lm4 n GLY 110 N -0.78 6.12 0.09 -1.39 0.00 -1.26 -4.79 105.19 103.18 1lm4 n GLY 110 Ca -0.05 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 1lm4 n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lm4 n LEU 112 N 0.00 0.20 -0.10 0.99 4.77 -1.26 -5.04 117.00 116.57 1lm4 n LEU 112 Ca 0.00 0.10 0.15 0.00 -0.03 0.00 0.00 56.01 56.22 1lm4 n LEU 112 Cb 0.00 0.38 0.68 0.00 -2.33 0.00 0.00 43.42 42.15 1lm4 n LEU 112 CO 0.00 0.42 0.93 -1.20 -1.33 0.00 0.00 177.39 176.21 1lm4 n SER 113 N -2.77 0.37 -3.96 -1.43 7.64 -1.26 -4.62 113.62 107.59 1lm4 n SER 113 Ca -0.27 -0.60 -0.31 0.00 1.01 0.00 0.00 58.87 58.71 1lm4 n SER 113 Cb 1.08 -0.10 -0.15 0.00 -1.01 0.00 0.00 64.21 64.02 1lm4 n SER 113 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1lm4 s VAL 114 N -2.40 1.70 0.03 0.44 1.01 -1.26 -0.81 120.40 119.10 1lm4 s VAL 114 Ca 0.32 -1.42 0.09 0.00 0.00 0.00 0.00 61.98 60.97 1lm4 s VAL 114 Cb 0.20 -1.97 -0.23 0.00 0.00 0.00 0.00 36.38 34.39 1lm4 s VAL 114 CO 0.45 -0.16 0.94 0.44 0.00 0.00 0.00 175.10 176.77 1lm4 h ASP 115 N 7.89 0.03 -3.66 3.32 3.32 -2.01 -3.47 116.42 121.85 1lm4 h ASP 115 Ca -0.17 -0.04 -0.45 0.00 0.02 0.00 0.00 57.03 56.39 1lm4 h ASP 115 Cb 1.06 -0.01 0.16 0.00 0.22 0.00 0.00 39.33 40.76 1lm4 h ASP 115 CO 0.43 1.04 0.39 1.51 -1.72 0.00 0.00 179.24 180.89 1lm4 s ASP 116 N -6.42 3.02 0.20 6.45 1.47 -1.26 -5.03 116.67 115.10 1lm4 s ASP 116 Ca -0.03 0.08 -0.20 0.00 1.18 0.00 0.00 52.55 53.58 1lm4 s ASP 116 Cb 0.09 -0.08 -0.08 0.00 -0.34 0.00 0.00 42.92 42.51 1lm4 s ASP 116 CO 0.82 -2.78 0.72 0.20 0.68 0.00 0.00 175.17 174.81 1lm4 s ASN 117 N -4.93 7.10 -0.11 2.11 -0.87 -1.26 -5.06 114.94 111.91 1lm4 s ASN 117 Ca 0.75 1.43 -0.01 0.00 -1.57 0.00 0.00 52.86 53.47 1lm4 s ASN 117 Cb -0.03 -2.42 0.03 0.00 -0.02 0.00 0.00 41.25 38.81 1lm4 s ASN 117 CO 0.53 0.08 -0.04 -0.69 -2.57 0.00 0.00 177.10 174.40 1lm4 s VAL 118 N -1.44 0.81 -0.14 1.60 1.01 -1.26 -5.12 120.40 115.86 1lm4 s VAL 118 Ca 0.41 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 1lm4 s VAL 118 Cb -0.18 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1lm4 s VAL 118 CO 0.22 0.28 0.22 0.00 0.00 0.00 0.00 175.10 175.81 1lm4 s ALA 119 N 1.79 3.72 0.00 5.51 0.00 -1.26 -4.71 121.76 126.81 1lm4 s ALA 119 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1lm4 s ALA 119 Cb -0.13 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1lm4 s ALA 119 CO -0.07 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.41 1lm4 n GLY 120 N 2.83 4.81 3.77 0.00 0.00 -1.26 -4.95 105.19 110.39 1lm4 n GLY 120 Ca -0.16 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 1lm4 n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lm4 s LEU 121 N 0.00 4.49 -0.34 0.99 1.43 -0.10 -4.43 118.68 120.72 1lm4 s LEU 121 Ca 0.00 1.83 -0.02 0.00 -1.03 0.00 0.00 54.13 54.91 1lm4 s LEU 121 Cb 0.00 -3.75 0.07 0.00 0.03 0.00 0.00 46.19 42.55 1lm4 s LEU 121 CO 0.00 0.06 0.08 -0.69 0.23 0.00 0.00 176.35 176.03 1lm4 s VAL 122 N -1.39 3.09 0.01 -1.59 1.01 -1.26 -4.30 120.40 115.97 1lm4 s VAL 122 Ca 0.44 -1.65 -0.24 0.00 0.00 0.00 0.00 61.98 60.53 1lm4 s VAL 122 Cb -0.22 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1lm4 s VAL 122 CO 0.27 -0.34 0.74 -1.00 0.00 0.00 0.00 175.10 174.77 1lm4 s HIS 123 N 1.20 3.69 0.33 5.22 3.76 -1.26 -4.42 115.29 123.81 1lm4 s HIS 123 Ca 0.00 1.40 0.07 0.00 -0.15 0.00 0.00 55.06 56.39 1lm4 s HIS 123 Cb -0.21 -2.80 -0.03 0.00 1.11 0.00 0.00 32.58 30.65 1lm4 s HIS 123 CO -0.02 0.23 0.26 0.54 -0.85 0.00 0.00 174.74 174.90 1lm4 n ARG 124 N 3.04 0.41 -2.43 1.40 1.74 0.50 -4.93 116.66 116.40 1lm4 n ARG 124 Ca -0.02 -3.21 -0.41 0.00 -0.77 0.00 0.00 57.85 53.43 1lm4 n ARG 124 Cb 0.51 2.54 -0.04 0.00 -1.02 0.00 0.00 32.46 34.45 1lm4 n ARG 124 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1lm4 s HIS 125 N -3.27 3.49 0.24 -1.55 3.76 -1.26 -0.11 115.29 116.59 1lm4 s HIS 125 Ca 0.36 1.51 0.06 0.00 -0.15 0.00 0.00 55.06 56.85 1lm4 s HIS 125 Cb 0.02 -3.37 0.27 0.00 1.11 0.00 0.00 32.58 30.61 1lm4 s HIS 125 CO 0.26 -0.95 1.57 -0.97 -0.85 0.00 0.00 174.74 173.80 1lm4 h ASN 126 N 5.03 0.19 -3.69 1.40 -1.24 -1.36 -3.43 115.58 112.47 1lm4 h ASN 126 Ca -0.45 -0.11 -0.46 0.00 0.71 0.00 0.00 56.30 55.99 1lm4 h ASN 126 Cb 1.21 -0.05 -0.32 0.00 0.73 0.00 0.00 38.32 39.89 1lm4 h ASN 126 CO 0.73 0.76 -0.80 -0.13 -1.29 0.00 0.00 177.43 176.70 1lm4 s ARG 127 N -3.69 1.19 0.05 6.67 0.52 -1.26 -0.52 118.95 121.92 1lm4 s ARG 127 Ca -0.03 -0.33 -0.03 0.00 -0.52 0.00 0.00 55.73 54.82 1lm4 s ARG 127 Cb 0.12 -1.07 -0.03 0.00 0.52 0.00 0.00 34.95 34.49 1lm4 s ARG 127 CO 0.79 0.08 0.02 0.96 0.02 0.00 0.00 175.30 177.18 1lm4 s ILE 128 N 0.37 0.19 -0.10 1.52 -4.36 -0.51 -0.61 121.20 117.70 1lm4 s ILE 128 Ca -0.07 -1.52 0.03 0.00 -0.26 0.00 0.00 60.65 58.83 1lm4 s ILE 128 Cb -0.11 -1.29 0.01 0.00 1.25 0.00 0.00 42.46 42.31 1lm4 s ILE 128 CO 0.01 -0.84 -0.20 -0.89 0.24 0.00 0.00 174.94 173.26 1lm4 s THR 129 N -3.51 1.79 -0.03 8.37 2.01 -0.17 -0.84 115.64 123.25 1lm4 s THR 129 Ca 0.03 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.25 1lm4 s THR 129 Cb 0.05 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1lm4 s THR 129 CO -0.09 0.50 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.47 1lm4 s ILE 130 N 0.51 2.22 -0.05 1.82 1.01 0.33 -0.40 121.20 126.64 1lm4 s ILE 130 Ca -0.16 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 59.47 1lm4 s ILE 130 Cb -0.17 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1lm4 s ILE 130 CO 0.06 0.58 -0.12 -0.54 0.00 0.00 0.00 174.94 174.93 1lm4 s LYS 131 N -0.61 2.56 0.33 2.79 1.02 -0.34 -0.52 119.74 124.98 1lm4 s LYS 131 Ca 0.10 -0.66 -0.18 0.00 0.02 0.00 0.00 55.97 55.24 1lm4 s LYS 131 Cb -0.10 -2.45 0.05 0.00 -0.52 0.00 0.00 37.83 34.81 1lm4 s LYS 131 CO -0.01 0.63 0.80 0.00 -0.92 0.00 0.00 175.35 175.86 1lm4 s ALA 132 N -0.79 -0.99 0.16 5.17 0.00 -0.25 -0.95 121.76 124.12 1lm4 s ALA 132 Ca 0.12 -0.56 0.08 0.00 0.00 0.00 0.00 51.96 51.61 1lm4 s ALA 132 Cb -0.11 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1lm4 s ALA 132 CO 0.01 -1.01 -0.06 0.15 0.00 0.00 0.00 175.76 174.86 1lm4 s LYS 133 N -2.75 2.21 0.52 0.00 -0.14 0.06 -1.14 119.74 118.50 1lm4 s LYS 133 Ca 0.15 -1.15 -0.02 0.00 -1.36 0.00 0.00 55.97 53.59 1lm4 s LYS 133 Cb -0.05 -2.27 0.11 0.00 -1.68 0.00 0.00 37.83 33.94 1lm4 s LYS 133 CO 0.09 0.46 0.72 -0.40 -0.76 0.00 0.00 175.35 175.46 1lm4 n ASP 134 N 0.11 0.80 0.28 2.83 5.68 0.33 -0.21 116.55 126.38 1lm4 n ASP 134 Ca -0.11 -1.72 0.14 0.00 -0.50 0.00 0.00 54.79 52.60 1lm4 n ASP 134 Cb 0.55 -0.48 0.84 0.00 -1.14 0.00 0.00 41.12 40.89 1lm4 n ASP 134 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1lm4 h ILE 135 N -0.68 0.60 -0.22 2.12 2.10 -1.90 0.00 117.51 119.54 1lm4 h ILE 135 Ca -0.24 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.57 1lm4 h ILE 135 Cb 0.83 1.08 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 1lm4 h ILE 135 CO 0.24 0.03 0.00 -0.62 -1.08 0.00 0.00 178.15 176.72 1lm4 n GLU 136 N -3.88 2.08 -0.71 2.19 -0.58 -1.26 -4.61 120.64 113.87 1lm4 n GLU 136 Ca -0.03 -1.62 0.00 0.00 -0.42 0.00 0.00 57.16 55.09 1lm4 n GLU 136 Cb 0.12 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1lm4 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lm4 n GLY 137 N 1.30 0.68 3.89 0.62 0.00 -0.01 -4.94 105.19 106.73 1lm4 n GLY 137 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1lm4 n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lm4 s ASN 138 N -2.18 5.19 0.04 1.61 0.01 -1.26 -4.69 114.94 113.67 1lm4 s ASN 138 Ca 0.00 0.96 -0.18 0.00 -0.71 0.00 0.00 52.86 52.93 1lm4 s ASN 138 Cb 0.00 -1.69 -0.06 0.00 0.41 0.00 0.00 41.25 39.91 1lm4 s ASN 138 CO 0.00 -1.47 0.51 -1.81 -1.51 0.00 0.00 177.10 172.82 1lm4 s ASP 139 N -4.42 6.96 -0.02 -1.22 1.01 -1.26 -0.51 116.67 117.21 1lm4 s ASP 139 Ca 0.59 1.14 0.03 0.00 0.71 0.00 0.00 52.55 55.02 1lm4 s ASP 139 Cb -0.11 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1lm4 s ASP 139 CO 0.50 0.29 -0.10 -0.63 0.21 0.00 0.00 175.17 175.44 1lm4 s ILE 140 N -1.07 0.81 -0.13 0.77 -1.09 -0.30 -4.87 121.20 115.34 1lm4 s ILE 140 Ca 0.27 -0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 58.30 1lm4 s ILE 140 Cb -0.18 -0.72 0.03 0.00 -1.58 0.00 0.00 42.46 40.01 1lm4 s ILE 140 CO 0.17 0.25 -0.06 -1.58 -1.23 0.00 0.00 174.94 172.49 1lm4 s GLN 141 N 0.14 1.41 -0.07 2.79 0.74 -1.26 -1.09 119.66 122.32 1lm4 s GLN 141 Ca -0.02 -0.32 -0.02 0.00 0.05 0.00 0.00 55.36 55.05 1lm4 s GLN 141 Cb -0.08 -1.69 -0.03 0.00 1.10 0.00 0.00 33.01 32.30 1lm4 s GLN 141 CO 0.00 -0.33 0.02 -0.51 -0.55 0.00 0.00 175.29 173.93 1lm4 s LEU 142 N 1.71 3.68 -0.22 3.68 1.43 0.32 -4.94 118.68 124.35 1lm4 s LEU 142 Ca 0.03 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 1lm4 s LEU 142 Cb -0.13 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1lm4 s LEU 142 CO -0.08 0.35 -0.07 -0.13 0.23 0.00 0.00 176.35 176.65 1lm4 s ARG 143 N -1.10 3.16 0.12 1.70 0.52 -1.26 -0.51 118.95 121.58 1lm4 s ARG 143 Ca 0.15 -0.76 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 1lm4 s ARG 143 Cb -0.11 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 1lm4 s ARG 143 CO 0.05 -0.26 -0.18 -0.51 0.02 0.00 0.00 175.30 174.42 1lm4 s LEU 144 N 1.41 2.35 -0.01 2.53 1.43 -0.02 -5.02 118.68 121.35 1lm4 s LEU 144 Ca 0.04 -0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 52.29 1lm4 s LEU 144 Cb -0.15 -0.76 0.01 0.00 0.03 0.00 0.00 46.19 45.33 1lm4 s LEU 144 CO -0.05 -0.02 0.21 -1.59 0.23 0.00 0.00 176.35 175.13 1lm4 s LYS 145 N -2.25 0.55 5.26 1.70 -2.85 -1.26 -1.42 119.74 119.47 1lm4 s LYS 145 Ca 0.08 -0.28 0.00 0.00 -1.00 0.00 0.00 55.97 54.77 1lm4 s LYS 145 Cb -0.08 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 1lm4 s LYS 145 CO 0.04 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.76 1lm4 n GLY 146 N 1.45 1.98 0.15 0.59 0.00 0.33 -3.75 105.19 105.94 1lm4 n GLY 146 Ca -0.22 -0.58 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 1lm4 n GLY 146 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1lm4 h TYR 147 N 0.00 -0.11 -0.77 1.61 3.20 -1.91 -0.38 116.97 118.62 1lm4 h TYR 147 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1lm4 h TYR 147 Cb 0.00 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 1lm4 h TYR 147 CO 0.00 -0.11 0.51 -1.35 -1.64 0.00 0.00 178.16 175.56 1lm4 h PRO 148 N 0.04 0.95 -0.80 1.82 0.11 -1.98 -0.47 132.00 131.68 1lm4 h PRO 148 Ca 0.17 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 1lm4 h PRO 148 Cb 0.25 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.11 1lm4 h PRO 148 CO -0.33 0.63 0.34 0.00 -0.21 0.00 0.00 178.00 178.43 1lm4 h ALA 149 N 1.54 1.10 -0.31 -0.75 0.00 -1.22 -1.29 119.26 118.34 1lm4 h ALA 149 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1lm4 h ALA 149 Cb -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1lm4 h ALA 149 CO -0.08 0.65 0.16 0.82 0.00 0.00 0.00 179.25 180.80 1lm4 h ILE 150 N 1.15 1.14 -0.58 0.00 1.08 0.22 -1.39 117.51 119.13 1lm4 h ILE 150 Ca 0.27 -0.40 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1lm4 h ILE 150 Cb 0.18 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 1lm4 h ILE 150 CO -0.03 0.15 0.36 0.58 -0.69 0.00 0.00 178.15 178.52 1lm4 h VAL 151 N 0.37 1.17 -0.32 1.67 2.07 -0.78 -0.54 116.25 119.88 1lm4 h VAL 151 Ca 0.11 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 1lm4 h VAL 151 Cb 0.09 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1lm4 h VAL 151 CO -0.02 0.17 -0.30 -0.26 0.02 0.00 0.00 177.57 177.18 1lm4 h PHE 152 N 0.78 0.78 -0.68 1.57 -1.00 -1.14 -1.26 116.94 115.99 1lm4 h PHE 152 Ca 0.21 -0.20 -0.06 0.00 2.81 0.00 0.00 57.97 60.73 1lm4 h PHE 152 Cb -0.03 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.32 1lm4 h PHE 152 CO -0.02 0.90 0.18 1.96 -1.61 0.00 0.00 178.31 179.71 1lm4 h GLN 153 N 0.57 1.09 -0.33 1.51 4.20 -0.87 0.34 115.11 121.62 1lm4 h GLN 153 Ca 0.07 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1lm4 h GLN 153 Cb 0.80 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1lm4 h GLN 153 CO 0.07 0.96 0.22 1.25 -0.67 0.00 0.00 178.83 180.65 1lm4 h HIS 154 N 1.02 0.43 -0.30 2.96 2.76 -0.65 -0.77 115.15 120.60 1lm4 h HIS 154 Ca 0.22 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.31 1lm4 h HIS 154 Cb 0.35 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1lm4 h HIS 154 CO 0.03 0.28 -0.15 0.93 -1.30 0.00 0.00 177.93 177.71 1lm4 h GLU 155 N 0.45 0.63 -0.76 5.26 4.39 -0.96 -2.93 114.58 120.66 1lm4 h GLU 155 Ca 0.12 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 59.55 1lm4 h GLU 155 Cb -0.04 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1lm4 h GLU 155 CO -0.03 0.86 0.50 0.82 -1.16 0.00 0.00 179.01 180.00 1lm4 h ILE 156 N 0.38 1.20 -0.95 3.13 2.04 -0.85 -1.61 117.51 120.85 1lm4 h ILE 156 Ca 0.06 -0.38 0.13 0.00 1.00 0.00 0.00 64.86 65.68 1lm4 h ILE 156 Cb 0.68 0.08 -0.08 0.00 -0.74 0.00 0.00 36.82 36.76 1lm4 h ILE 156 CO 0.05 0.20 0.60 0.44 0.00 0.00 0.00 178.15 179.44 1lm4 h ASP 157 N 1.04 0.80 -0.43 1.72 3.32 -0.96 0.18 116.42 122.09 1lm4 h ASP 157 Ca 0.28 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.46 1lm4 h ASP 157 Cb -0.11 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1lm4 h ASP 157 CO -0.06 0.41 0.30 0.45 -1.72 0.00 0.00 179.24 178.62 1lm4 h HIS 158 N 0.85 0.21 0.00 4.55 3.86 -1.14 0.38 115.15 123.86 1lm4 h HIS 158 Ca 0.48 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 1lm4 h HIS 158 Cb 0.60 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1lm4 h HIS 158 CO -0.00 0.11 0.00 -0.07 0.86 0.00 0.00 177.93 178.82 1lm4 h LEU 159 N 0.20 0.00 -3.10 2.43 3.38 -0.67 -2.60 115.31 114.96 1lm4 h LEU 159 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1lm4 h LEU 159 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1lm4 h LEU 159 CO -0.03 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.09 1lm4 n ASN 160 N -2.35 3.58 -1.08 -0.43 3.02 0.01 -0.78 115.26 117.23 1lm4 n ASN 160 Ca 0.03 -2.54 -0.10 0.00 -0.03 0.00 0.00 54.58 51.94 1lm4 n ASN 160 Cb 0.28 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 39.02 1lm4 n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lm4 n GLY 161 N 0.07 0.06 3.42 7.41 0.00 -0.98 -4.73 105.19 110.44 1lm4 n GLY 161 Ca 0.18 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1lm4 n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lm4 s VAL 162 N -2.47 3.21 0.08 1.61 1.01 -0.54 -4.59 120.40 118.71 1lm4 s VAL 162 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1lm4 s VAL 162 Cb 0.00 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1lm4 s VAL 162 CO 0.00 0.54 0.06 -0.04 0.00 0.00 0.00 175.10 175.66 1lm4 s MET 163 N 0.11 2.82 0.37 2.72 -1.94 -1.26 -3.36 119.30 118.75 1lm4 s MET 163 Ca -0.05 -0.71 0.08 0.00 -1.71 0.00 0.00 55.69 53.29 1lm4 s MET 163 Cb -0.15 -2.70 0.80 0.00 2.01 0.00 0.00 34.83 34.80 1lm4 s MET 163 CO 0.04 0.56 1.94 0.27 -0.01 0.00 0.00 175.02 177.82 1lm4 h PHE 164 N 3.35 0.74 0.00 -0.03 -0.00 -1.96 -0.64 116.94 118.40 1lm4 h PHE 164 Ca -0.47 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 1lm4 h PHE 164 Cb 1.16 -0.24 0.00 0.00 -0.00 0.00 0.00 35.95 36.87 1lm4 h PHE 164 CO 0.61 0.35 0.00 2.48 -0.00 0.00 0.00 178.31 181.75 1lm4 n TYR 165 N -4.50 0.75 0.27 6.09 0.18 -1.26 -1.76 117.16 116.94 1lm4 n TYR 165 Ca 0.12 0.32 0.12 0.00 1.88 0.00 0.00 57.90 60.35 1lm4 n TYR 165 Cb 0.31 -1.02 0.77 0.00 -0.38 0.00 0.00 39.34 39.03 1lm4 n TYR 165 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 1lm4 h ASP 166 N 0.00 0.00 0.82 9.48 3.32 -1.52 -2.11 116.42 126.40 1lm4 h ASP 166 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lm4 h ASP 166 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1lm4 h ASP 166 CO 0.00 0.07 -0.31 1.41 -1.72 0.00 0.00 179.24 178.69 1lm4 n HIS 167 N -3.87 0.19 -2.23 4.55 8.25 -0.72 -4.87 115.22 116.51 1lm4 n HIS 167 Ca -0.02 0.05 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 1lm4 n HIS 167 Cb 0.16 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 1lm4 n HIS 167 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1lm4 s ILE 168 N -3.04 3.38 0.41 1.59 1.01 -0.80 -4.66 121.20 119.09 1lm4 s ILE 168 Ca 0.11 1.04 -0.26 0.00 0.00 0.00 0.00 60.65 61.54 1lm4 s ILE 168 Cb 0.17 -3.66 -0.09 0.00 0.01 0.00 0.00 42.46 38.89 1lm4 s ILE 168 CO 0.64 0.11 1.31 -1.81 0.00 0.00 0.00 174.94 175.19 1lm4 s ASP 169 N 0.82 6.28 0.22 3.58 1.01 -1.26 -4.92 116.67 122.38 1lm4 s ASP 169 Ca 0.61 2.68 0.02 0.00 0.71 0.00 0.00 52.55 56.57 1lm4 s ASP 169 Cb -0.36 -2.64 0.18 0.00 1.01 0.00 0.00 42.92 41.12 1lm4 s ASP 169 CO 0.33 -0.88 1.52 0.50 0.21 0.00 0.00 175.17 176.85 1lm4 h LYS 170 N 2.65 0.32 -5.29 8.23 1.63 -1.97 -3.33 116.57 118.81 1lm4 h LYS 170 Ca -0.50 -0.23 -0.61 0.00 -0.85 0.00 0.00 60.65 58.47 1lm4 h LYS 170 Cb 1.25 0.04 -0.12 0.00 -0.60 0.00 0.00 32.23 32.79 1lm4 h LYS 170 CO 0.62 0.84 -0.36 1.21 -3.45 0.00 0.00 179.45 178.31 1lm4 s ASN 171 N -6.92 6.29 -1.13 4.20 2.47 -1.26 -4.57 114.94 114.03 1lm4 s ASN 171 Ca -0.05 0.33 -0.25 0.00 0.42 0.00 0.00 52.86 53.32 1lm4 s ASN 171 Cb 0.11 -2.16 0.02 0.00 -1.45 0.00 0.00 41.25 37.77 1lm4 s ASN 171 CO 0.81 0.03 0.72 1.41 -3.72 0.00 0.00 177.10 176.35 1lm4 n HIS 172 N 4.17 -1.70 0.24 0.43 8.25 -1.26 -4.85 115.22 120.50 1lm4 n HIS 172 Ca -0.12 0.32 0.17 0.00 -0.26 0.00 0.00 57.72 57.84 1lm4 n HIS 172 Cb 0.52 -3.07 0.89 0.00 1.12 0.00 0.00 29.99 29.45 1lm4 n HIS 172 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1lm4 h PRO 173 N -2.02 0.00 -0.02 -0.41 0.13 -1.81 -1.78 132.00 126.10 1lm4 h PRO 173 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1lm4 h PRO 173 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1lm4 h PRO 173 CO 0.48 0.00 -0.07 1.28 -0.23 0.00 0.00 178.00 179.47 1lm4 n LEU 174 N -3.63 1.88 -4.64 1.56 4.77 -1.26 -0.92 117.00 114.77 1lm4 n LEU 174 Ca 0.00 -0.62 -0.34 0.00 -0.03 0.00 0.00 56.01 55.02 1lm4 n LEU 174 Cb 0.28 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 1lm4 n LEU 174 CO 0.25 0.32 -0.25 -1.10 -1.33 0.00 0.00 177.39 175.28 1lm4 s GLN 175 N -2.10 3.98 0.56 3.23 -0.21 -0.67 -4.87 119.66 119.58 1lm4 s GLN 175 Ca 0.32 -0.34 -0.21 0.00 0.02 0.00 0.00 55.36 55.15 1lm4 s GLN 175 Cb 0.20 -3.22 -0.04 0.00 1.00 0.00 0.00 33.01 30.96 1lm4 s GLN 175 CO 0.37 0.27 1.33 -2.14 -2.12 0.00 0.00 175.29 173.00 1lm4 s PRO 176 N 0.37 3.04 0.53 2.91 0.02 -1.26 -4.96 135.00 135.65 1lm4 s PRO 176 Ca 0.03 2.17 -0.20 0.00 0.02 0.00 0.00 61.00 63.03 1lm4 s PRO 176 Cb -0.12 -2.17 -0.06 0.00 0.02 0.00 0.00 34.50 32.17 1lm4 s PRO 176 CO 0.00 -1.25 1.14 -1.01 -0.33 0.00 0.00 177.00 175.55 1lm4 s HIS 177 N -1.34 2.69 0.36 6.54 3.76 -1.26 -4.95 115.29 121.10 1lm4 s HIS 177 Ca 0.74 1.54 -0.28 0.00 -0.15 0.00 0.00 55.06 56.90 1lm4 s HIS 177 Cb -0.39 -3.31 -0.11 0.00 1.11 0.00 0.00 32.58 29.88 1lm4 s HIS 177 CO 0.45 -1.58 1.51 2.41 -0.85 0.00 0.00 174.74 176.68 1lm4 n THR 178 N -1.18 1.78 0.00 1.30 -1.04 -1.26 -1.76 114.28 112.11 1lm4 n THR 178 Ca 0.11 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1lm4 n THR 178 Cb 0.50 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 1lm4 n THR 178 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1lm4 n ASP 179 N 0.85 0.00 -4.79 8.00 8.00 -1.26 -4.99 116.55 122.36 1lm4 n ASP 179 Ca 0.03 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.18 1lm4 n ASP 179 Cb 0.38 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 1lm4 n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lm4 s ALA 180 N -2.30 2.82 -0.11 2.24 0.00 -0.72 -4.64 121.76 119.06 1lm4 s ALA 180 Ca 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 1lm4 s ALA 180 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1lm4 s ALA 180 CO 0.00 -0.47 -0.06 0.14 0.00 0.00 0.00 175.76 175.37 1lm4 s VAL 181 N -1.89 3.73 0.09 0.00 -7.23 -0.07 -4.88 120.40 110.16 1lm4 s VAL 181 Ca 0.69 -0.44 -0.31 0.00 -1.81 0.00 0.00 61.98 60.11 1lm4 s VAL 181 Cb -0.19 -2.57 -0.08 0.00 0.56 0.00 0.00 36.38 34.10 1lm4 s VAL 181 CO 0.23 0.55 1.45 -0.70 -0.31 0.00 0.00 175.10 176.32 1lm4 s GLU 182 N -0.27 4.28 0.00 4.82 2.12 -1.26 -1.82 118.70 126.57 1lm4 s GLU 182 Ca 0.04 2.12 0.31 0.00 0.36 0.00 0.00 54.97 57.80 1lm4 s GLU 182 Cb -0.13 -3.35 1.85 0.00 0.26 0.00 0.00 34.13 32.76 1lm4 s GLU 182 CO 0.02 -0.53 2.18 0.28 -0.54 0.00 0.00 175.26 176.67