#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i54 s PHE -3 N 0.00 3.01 -0.48 -0.72 0.08 -1.26 -4.83 117.98 113.77 3i54 s PHE -3 Ca 0.00 -0.22 0.24 0.00 0.12 0.00 0.00 56.93 57.07 3i54 s PHE -3 Cb 0.00 -1.66 0.26 0.00 -0.57 0.00 0.00 43.02 41.05 3i54 s PHE -3 CO 0.00 0.30 1.30 1.96 -0.10 0.00 0.00 175.22 178.68 3i54 h GLN -2 N 1.31 0.00 -2.64 0.44 4.20 -1.96 -3.47 115.11 112.99 3i54 h GLN -2 Ca -0.46 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.21 3i54 h GLN -2 Cb 1.25 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.88 3i54 h GLN -2 CO 0.59 0.00 0.17 -1.54 -0.67 0.00 0.00 178.83 177.38 3i54 s SER -1 N -4.90 -0.57 0.33 1.46 1.04 -1.26 -5.02 113.70 104.78 3i54 s SER -1 Ca 0.04 0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.77 3i54 s SER -1 Cb 0.11 0.56 0.63 0.00 0.10 0.00 0.00 66.02 67.41 3i54 s SER -1 CO 0.73 -0.80 1.95 -0.74 0.98 0.00 0.00 173.24 175.35 3i54 h HIS 0 N 2.48 0.89 -0.11 5.02 2.76 -1.99 -1.47 115.15 122.73 3i54 h HIS 0 Ca -0.31 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 57.93 3i54 h HIS 0 Cb 1.24 -0.29 -0.06 0.00 1.55 0.00 0.00 27.41 29.84 3i54 h HIS 0 CO 0.30 0.49 -0.28 1.98 -1.30 0.00 0.00 177.93 179.13 3i54 h MET 1 N 0.90 -0.35 -0.65 5.26 1.85 -1.96 -1.61 114.93 118.37 3i54 h MET 1 Ca 0.33 0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.46 3i54 h MET 1 Cb 0.16 0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 3i54 h MET 1 CO -0.11 -0.23 0.43 -0.44 -0.40 0.00 0.00 176.91 176.16 3i54 h ASP 2 N -0.36 0.71 -0.20 1.39 3.45 -1.76 -1.33 116.42 118.33 3i54 h ASP 2 Ca 0.09 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 3i54 h ASP 2 Cb 0.50 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 3i54 h ASP 2 CO -0.31 0.50 0.07 -0.08 -1.57 0.00 0.00 179.24 177.85 3i54 h GLU 3 N 0.83 0.31 -0.09 3.56 4.81 -0.68 -0.73 114.58 122.59 3i54 h GLU 3 Ca 0.25 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.25 3i54 h GLU 3 Cb -0.03 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3i54 h GLU 3 CO -0.06 0.40 -0.64 0.82 -0.73 0.00 0.00 179.01 178.80 3i54 h ILE 4 N 0.15 1.38 -0.37 2.32 1.08 -0.83 -1.04 117.51 120.19 3i54 h ILE 4 Ca 0.06 -2.01 -0.15 0.00 -0.39 0.00 0.00 64.86 62.38 3i54 h ILE 4 Cb 0.22 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 3i54 h ILE 4 CO -0.00 0.60 -0.35 -0.07 -0.69 0.00 0.00 178.15 177.64 3i54 h LEU 5 N 0.25 0.95 -0.65 1.44 4.07 -1.24 0.80 115.31 120.92 3i54 h LEU 5 Ca -0.01 -0.46 0.08 0.00 0.08 0.00 0.00 57.88 57.57 3i54 h LEU 5 Cb 1.17 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 42.58 3i54 h LEU 5 CO 0.11 1.21 0.31 0.00 -1.08 0.00 0.00 178.44 178.98 3i54 h ALA 6 N 0.77 0.87 -0.57 1.53 0.00 -0.95 -2.13 119.26 118.79 3i54 h ALA 6 Ca 0.06 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3i54 h ALA 6 Cb 0.93 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3i54 h ALA 6 CO 0.09 -0.09 -0.06 -0.09 0.00 0.00 0.00 179.25 179.10 3i54 h ARG 7 N 0.54 1.04 -1.04 0.00 2.43 -0.98 -0.06 114.38 116.30 3i54 h ARG 7 Ca 0.32 -0.36 0.29 0.00 -0.81 0.00 0.00 59.98 59.42 3i54 h ARG 7 Cb 0.33 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 3i54 h ARG 7 CO -0.26 1.05 0.73 0.00 -1.51 0.00 0.00 179.97 179.98 3i54 h ALA 8 N 0.98 2.79 0.00 2.80 0.00 -0.29 -3.46 119.26 122.08 3i54 h ALA 8 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i54 h ALA 8 Cb 0.62 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i54 h ALA 8 CO 0.04 -1.11 0.00 0.41 0.00 0.00 0.00 179.25 178.59 3i54 n GLY 9 N -1.67 1.00 0.33 0.00 0.00 -0.04 -4.99 105.19 99.82 3i54 n GLY 9 Ca 0.23 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.39 3i54 n GLY 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i54 n ILE 10 N -1.82 0.02 -2.33 -0.61 -5.35 -1.21 -3.97 119.36 104.10 3i54 n ILE 10 Ca 0.00 -0.18 -0.16 0.00 -0.27 0.00 0.00 62.75 62.15 3i54 n ILE 10 Cb 0.00 0.16 0.03 0.00 -1.74 0.00 0.00 39.64 38.09 3i54 n ILE 10 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3i54 n PHE 11 N -0.19 2.25 -3.25 4.28 3.72 -1.26 -4.52 117.46 118.49 3i54 n PHE 11 Ca 0.20 -2.25 -0.43 0.00 -0.05 0.00 0.00 57.45 54.92 3i54 n PHE 11 Cb 0.27 -0.29 -0.08 0.00 -0.94 0.00 0.00 39.48 38.44 3i54 n PHE 11 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3i54 s GLN 12 N -3.66 3.16 0.00 -1.08 0.74 -1.25 -2.41 119.66 115.15 3i54 s GLN 12 Ca 0.42 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 55.20 3i54 s GLN 12 Cb 0.38 -3.97 0.00 0.00 1.10 0.00 0.00 33.01 30.53 3i54 s GLN 12 CO 0.00 -0.92 0.00 0.41 -0.55 0.00 0.00 175.29 174.24 3i54 n GLY 13 N 5.09 2.81 0.00 2.59 0.00 -1.26 -5.06 105.19 109.36 3i54 n GLY 13 Ca -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3i54 n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i54 n VAL 14 N 0.00 0.00 0.00 1.61 0.24 -1.01 -5.03 118.33 114.14 3i54 n VAL 14 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i54 n VAL 14 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i54 n VAL 14 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3i54 n GLU 15 N 0.00 -2.74 0.00 7.34 -0.00 -1.26 -4.41 120.64 119.57 3i54 n GLU 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3i54 n GLU 15 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 3i54 n GLU 15 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3i54 n PRO 16 N -0.99 0.00 0.00 3.44 -0.02 -1.26 -4.90 135.00 131.27 3i54 n PRO 16 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i54 n PRO 16 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i54 n PRO 16 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i54 n SER 17 N -2.22 0.00 0.17 2.55 2.88 -1.26 -4.43 113.62 111.30 3i54 n SER 17 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 3i54 n SER 17 Cb 0.00 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 3i54 n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i54 h ALA 18 N 0.00 0.78 0.40 -1.46 0.00 -1.90 -3.29 119.26 113.79 3i54 h ALA 18 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3i54 h ALA 18 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i54 h ALA 18 CO 0.00 0.45 -0.19 0.82 0.00 0.00 0.00 179.25 180.33 3i54 h ILE 19 N 0.00 0.52 -0.98 0.00 2.04 -1.77 -3.06 117.51 114.26 3i54 h ILE 19 Ca -0.00 -0.52 0.25 0.00 1.00 0.00 0.00 64.86 65.59 3i54 h ILE 19 Cb 1.24 0.74 -0.13 0.00 -0.74 0.00 0.00 36.82 37.93 3i54 h ILE 19 CO 0.05 0.08 0.55 0.00 0.00 0.00 0.00 178.15 178.83 3i54 h ALA 20 N -0.46 1.74 -0.58 1.87 0.00 -1.88 0.11 119.26 120.07 3i54 h ALA 20 Ca -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3i54 h ALA 20 Cb 0.55 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3i54 h ALA 20 CO 0.09 -0.34 0.33 0.00 0.00 0.00 0.00 179.25 179.34 3i54 h ALA 21 N 1.75 1.50 -0.65 0.00 0.00 -1.61 -1.22 119.26 119.03 3i54 h ALA 21 Ca 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3i54 h ALA 21 Cb 1.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3i54 h ALA 21 CO -0.51 0.43 0.00 1.47 0.00 0.00 0.00 179.25 180.64 3i54 n LEU 22 N -4.41 3.87 -0.04 0.00 -0.00 0.30 -4.21 117.00 112.52 3i54 n LEU 22 Ca 0.05 -1.94 0.02 0.00 -0.00 0.00 0.00 56.01 54.14 3i54 n LEU 22 Cb 0.08 -0.49 -0.02 0.00 -0.00 0.00 0.00 43.42 43.00 3i54 n LEU 22 CO 0.37 0.85 0.05 0.35 -0.00 0.00 0.00 177.39 179.01 3i54 n THR 23 N 1.33 0.00 0.12 1.47 -2.24 -0.60 -4.63 114.28 109.74 3i54 n THR 23 Ca 0.23 -0.40 0.17 0.00 -2.27 0.00 0.00 64.05 61.77 3i54 n THR 23 Cb 0.65 1.02 0.72 0.00 -2.10 0.00 0.00 70.33 70.63 3i54 n THR 23 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3i54 h LYS 24 N 0.18 0.00 -0.00 -0.78 6.56 -1.41 -0.69 116.57 120.44 3i54 h LYS 24 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3i54 h LYS 24 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 3i54 h LYS 24 CO 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 179.45 177.35 3i54 n GLN 25 N -4.22 0.44 -2.71 3.15 10.64 -1.26 -4.90 117.38 118.52 3i54 n GLN 25 Ca 0.05 -0.05 -0.37 0.00 -1.83 0.00 0.00 57.00 54.79 3i54 n GLN 25 Cb 0.41 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.24 3i54 n GLN 25 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3i54 s LEU 26 N -2.60 4.35 -0.41 2.61 1.43 -0.27 -5.02 118.68 118.78 3i54 s LEU 26 Ca 0.27 1.92 -0.10 0.00 -1.03 0.00 0.00 54.13 55.19 3i54 s LEU 26 Cb 0.20 -3.98 0.07 0.00 0.03 0.00 0.00 46.19 42.51 3i54 s LEU 26 CO 0.48 -0.13 0.25 0.00 0.23 0.00 0.00 176.35 177.18 3i54 s GLN 27 N -2.00 2.65 0.79 1.70 1.03 -1.26 -5.03 119.66 117.54 3i54 s GLN 27 Ca 0.50 -1.39 -0.11 0.00 0.04 0.00 0.00 55.36 54.40 3i54 s GLN 27 Cb -0.21 -3.77 0.07 0.00 0.03 0.00 0.00 33.01 29.13 3i54 s GLN 27 CO 0.27 -0.90 1.09 -2.14 -2.54 0.00 0.00 175.29 171.06 3i54 s PRO 28 N 1.45 2.12 -0.17 9.60 0.02 -1.26 -1.92 135.00 144.84 3i54 s PRO 28 Ca 0.03 0.76 -0.14 0.00 0.02 0.00 0.00 61.00 61.67 3i54 s PRO 28 Cb -0.22 -1.91 0.05 0.00 0.02 0.00 0.00 34.50 32.43 3i54 s PRO 28 CO 0.03 -1.63 0.43 0.54 -0.33 0.00 0.00 177.00 176.04 3i54 s VAL 29 N -3.09 -0.01 -0.02 3.83 0.11 0.16 -4.86 120.40 116.52 3i54 s VAL 29 Ca 0.61 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.70 3i54 s VAL 29 Cb -0.15 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 3i54 s VAL 29 CO 0.55 0.01 -0.08 -1.81 -3.33 0.00 0.00 175.10 170.44 3i54 s ASP 30 N 0.48 4.57 0.05 3.54 1.01 -1.26 -0.83 116.67 124.23 3i54 s ASP 30 Ca -0.02 -0.12 0.05 0.00 0.71 0.00 0.00 52.55 53.16 3i54 s ASP 30 Cb -0.04 -1.07 -0.02 0.00 1.01 0.00 0.00 42.92 42.79 3i54 s ASP 30 CO -0.02 0.31 -0.14 -0.36 0.21 0.00 0.00 175.17 175.16 3i54 s PHE 31 N -0.93 1.23 0.85 4.23 0.40 -0.07 -5.01 117.98 118.67 3i54 s PHE 31 Ca 0.15 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.98 3i54 s PHE 31 Cb -0.11 -0.71 0.10 0.00 0.51 0.00 0.00 43.02 42.80 3i54 s PHE 31 CO 0.05 0.04 1.13 -1.25 0.70 0.00 0.00 175.22 175.90 3i54 s PRO 32 N -1.33 1.69 0.37 0.24 0.04 -1.26 -1.60 135.00 133.14 3i54 s PRO 32 Ca 0.00 0.38 -0.26 0.00 0.04 0.00 0.00 61.00 61.17 3i54 s PRO 32 Cb -0.09 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 3i54 s PRO 32 CO 0.02 -1.84 1.01 -2.13 0.04 0.00 0.00 177.00 174.10 3i54 n ARG 33 N -3.54 1.39 -0.94 4.56 0.63 -1.23 -3.49 116.66 114.04 3i54 n ARG 33 Ca 0.07 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 3i54 n ARG 33 Cb 0.58 -1.97 0.00 0.00 0.45 0.00 0.00 32.46 31.52 3i54 n ARG 33 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i54 n GLY 34 N 1.18 0.42 3.67 5.14 0.00 -0.03 -4.98 105.19 110.60 3i54 n GLY 34 Ca 0.09 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 3i54 n GLY 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i54 s HIS 35 N -2.00 3.34 -0.54 1.61 5.04 -1.23 -4.84 115.29 116.67 3i54 s HIS 35 Ca 0.00 0.37 -0.28 0.00 -1.54 0.00 0.00 55.06 53.61 3i54 s HIS 35 Cb 0.00 -2.35 0.00 0.00 0.04 0.00 0.00 32.58 30.27 3i54 s HIS 35 CO 0.00 0.05 1.58 0.99 -2.34 0.00 0.00 174.74 175.02 3i54 s THR 36 N 1.10 3.63 0.06 0.89 2.01 -1.26 -0.75 115.64 121.32 3i54 s THR 36 Ca 0.12 0.52 -0.18 0.00 0.31 0.00 0.00 61.69 62.46 3i54 s THR 36 Cb -0.14 -4.21 -0.12 0.00 0.01 0.00 0.00 72.50 68.04 3i54 s THR 36 CO 0.05 -1.01 1.36 0.58 -0.69 0.00 0.00 174.62 174.92 3i54 h VAL 37 N 6.56 1.33 -2.94 3.82 2.07 -0.94 -3.47 116.25 122.67 3i54 h VAL 37 Ca -0.28 -1.41 0.08 0.00 0.82 0.00 0.00 66.70 65.91 3i54 h VAL 37 Cb 1.12 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.63 3i54 h VAL 37 CO 1.17 0.43 0.25 0.72 0.02 0.00 0.00 177.57 180.16 3i54 s PHE 38 N -4.27 -0.20 0.06 1.57 -0.12 -1.18 -5.01 117.98 108.83 3i54 s PHE 38 Ca -0.13 -0.24 0.08 0.00 -0.05 0.00 0.00 56.93 56.58 3i54 s PHE 38 Cb 0.07 0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 43.12 3i54 s PHE 38 CO 0.79 -1.19 -0.20 0.00 -0.05 0.00 0.00 175.22 174.56 3i54 s ALA 39 N -3.86 2.52 0.18 1.99 0.00 -1.26 -1.95 121.76 119.39 3i54 s ALA 39 Ca 0.11 -1.24 -0.32 0.00 0.00 0.00 0.00 51.96 50.51 3i54 s ALA 39 Cb -0.05 -0.65 -0.16 0.00 0.00 0.00 0.00 23.12 22.25 3i54 s ALA 39 CO 0.06 0.56 1.00 -1.91 0.00 0.00 0.00 175.76 175.47 3i54 n GLU 40 N 1.48 0.87 0.00 0.00 2.13 -1.13 -2.60 120.64 121.38 3i54 n GLU 40 Ca -0.16 0.31 0.00 0.00 0.66 0.00 0.00 57.16 57.96 3i54 n GLU 40 Cb 0.52 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.55 3i54 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i54 n GLY 41 N 1.80 2.72 3.66 8.31 0.00 0.30 -4.91 105.19 117.07 3i54 n GLY 41 Ca 0.15 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3i54 n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i54 n GLU 42 N 0.00 0.50 -2.00 1.61 1.02 -1.07 -4.38 120.64 116.31 3i54 n GLU 42 Ca 0.00 0.23 -0.40 0.00 -0.02 0.00 0.00 57.16 56.97 3i54 n GLU 42 Cb 0.00 -2.35 -0.01 0.00 -0.02 0.00 0.00 31.44 29.06 3i54 n GLU 42 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3i54 s PRO 43 N -3.62 4.10 -0.21 3.49 0.02 -1.26 0.06 135.00 137.59 3i54 s PRO 43 Ca 0.75 2.29 -0.04 0.00 0.02 0.00 0.00 61.00 64.01 3i54 s PRO 43 Cb -0.33 -2.90 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 3i54 s PRO 43 CO 0.49 -0.43 -0.03 0.20 -0.33 0.00 0.00 177.00 176.90 3i54 s GLY 44 N -0.51 1.65 0.00 0.52 0.00 -1.24 -4.75 107.32 102.99 3i54 s GLY 44 Ca 0.54 -1.08 0.23 0.00 0.00 0.00 0.00 44.72 44.40 3i54 s GLY 44 CO 0.54 0.32 1.15 1.34 0.00 0.00 0.00 173.10 176.44 3i54 n ASP 45 N 4.51 0.81 -3.69 1.64 2.03 -1.26 -4.60 116.55 115.99 3i54 n ASP 45 Ca -0.18 -2.00 -0.12 0.00 0.52 0.00 0.00 54.79 53.02 3i54 n ASP 45 Cb 0.51 -0.25 -0.12 0.00 -0.72 0.00 0.00 41.12 40.54 3i54 n ASP 45 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3i54 s ARG 46 N 0.00 0.25 0.24 -0.67 3.52 -1.26 -3.75 118.95 117.27 3i54 s ARG 46 Ca 0.30 0.73 0.06 0.00 -0.13 0.00 0.00 55.73 56.70 3i54 s ARG 46 Cb 0.34 -0.00 -0.03 0.00 -1.56 0.00 0.00 34.95 33.70 3i54 s ARG 46 CO -0.15 -0.21 0.22 -0.48 -0.81 0.00 0.00 175.30 173.87 3i54 s LEU 47 N 1.82 3.92 0.01 -0.88 0.05 -0.30 -4.67 118.68 118.63 3i54 s LEU 47 Ca -0.05 -0.16 0.06 0.00 0.05 0.00 0.00 54.13 54.02 3i54 s LEU 47 Cb -0.11 -2.47 -0.02 0.00 -2.05 0.00 0.00 46.19 41.55 3i54 s LEU 47 CO -0.10 -0.03 -0.18 -0.31 -0.55 0.00 0.00 176.35 175.18 3i54 s TYR 48 N -2.05 1.61 -0.13 3.48 1.51 0.13 -1.98 117.35 119.92 3i54 s TYR 48 Ca 0.33 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 56.08 3i54 s TYR 48 Cb -0.08 -1.00 -0.00 0.00 -0.11 0.00 0.00 41.96 40.76 3i54 s TYR 48 CO 0.26 0.01 -0.19 0.42 -1.11 0.00 0.00 175.55 174.94 3i54 s ILE 49 N -0.57 2.41 -0.13 2.71 1.01 -0.24 -0.69 121.20 125.71 3i54 s ILE 49 Ca 0.06 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 3i54 s ILE 49 Cb -0.07 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 3i54 s ILE 49 CO 0.00 0.54 1.16 -0.63 0.00 0.00 0.00 174.94 176.01 3i54 s ILE 50 N 0.60 4.43 -0.15 2.92 1.01 -0.03 -1.35 121.20 128.63 3i54 s ILE 50 Ca -0.11 1.73 -0.20 0.00 0.00 0.00 0.00 60.65 62.08 3i54 s ILE 50 Cb -0.16 -4.11 -0.17 0.00 0.01 0.00 0.00 42.46 38.02 3i54 s ILE 50 CO 0.03 -0.07 0.38 0.40 0.00 0.00 0.00 174.94 175.68 3i54 h ILE 51 N 5.25 1.05 -3.93 2.92 1.08 -1.09 0.25 117.51 123.04 3i54 h ILE 51 Ca -0.29 -1.92 -0.12 0.00 -0.39 0.00 0.00 64.86 62.14 3i54 h ILE 51 Cb 1.12 2.12 -0.16 0.00 -3.07 0.00 0.00 36.82 36.83 3i54 h ILE 51 CO 0.92 0.36 -0.55 -0.94 -0.69 0.00 0.00 178.15 177.25 3i54 s SER 52 N -6.22 0.25 0.00 1.72 1.04 -0.86 -4.59 113.70 105.04 3i54 s SER 52 Ca -0.18 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.58 3i54 s SER 52 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3i54 s SER 52 CO 0.49 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.76 3i54 n GLY 53 N 0.48 -3.49 3.06 7.32 0.00 -1.25 -1.09 105.19 110.22 3i54 n GLY 53 Ca -0.17 -1.95 -0.16 0.00 0.00 0.00 0.00 46.02 43.74 3i54 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i54 s LYS 54 N -0.83 0.62 -0.05 1.61 1.02 -1.26 -3.59 119.74 117.26 3i54 s LYS 54 Ca 0.00 -0.61 0.02 0.00 0.02 0.00 0.00 55.97 55.40 3i54 s LYS 54 Cb 0.00 -0.52 0.02 0.00 -0.52 0.00 0.00 37.83 36.81 3i54 s LYS 54 CO 0.00 0.12 -0.08 0.08 -0.92 0.00 0.00 175.35 174.55 3i54 s VAL 55 N -0.89 0.79 -0.09 3.17 1.01 -0.18 -1.13 120.40 123.08 3i54 s VAL 55 Ca -0.03 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 3i54 s VAL 55 Cb -0.07 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3i54 s VAL 55 CO 0.01 0.28 0.30 -1.59 0.00 0.00 0.00 175.10 174.09 3i54 s LYS 56 N 0.74 3.91 -0.24 2.72 -2.85 0.29 0.34 119.74 124.65 3i54 s LYS 56 Ca -0.12 0.16 -0.08 0.00 -1.00 0.00 0.00 55.97 54.92 3i54 s LYS 56 Cb -0.14 -3.28 -0.04 0.00 -2.06 0.00 0.00 37.83 32.30 3i54 s LYS 56 CO 0.02 0.56 0.10 0.42 0.10 0.00 0.00 175.35 176.54 3i54 s ILE 57 N -0.52 4.69 0.09 3.79 1.09 -0.71 -1.76 121.20 127.87 3i54 s ILE 57 Ca 0.19 -0.05 0.07 0.00 -1.10 0.00 0.00 60.65 59.76 3i54 s ILE 57 Cb -0.14 -3.18 -0.03 0.00 -1.06 0.00 0.00 42.46 38.05 3i54 s ILE 57 CO 0.08 0.36 -0.19 -0.83 -0.10 0.00 0.00 174.94 174.25 3i54 s GLY 58 N 1.25 1.13 -0.03 6.18 0.00 -0.81 0.55 107.32 115.59 3i54 s GLY 58 Ca 0.05 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.63 3i54 s GLY 58 CO 0.04 -1.18 -0.12 0.50 0.00 0.00 0.00 173.10 172.34 3i54 s ARG 59 N -1.84 1.26 0.09 2.90 0.52 0.86 -0.83 118.95 121.92 3i54 s ARG 59 Ca 0.04 -0.42 -0.31 0.00 -0.52 0.00 0.00 55.73 54.52 3i54 s ARG 59 Cb -0.10 -1.14 -0.09 0.00 0.52 0.00 0.00 34.95 34.14 3i54 s ARG 59 CO 0.04 0.16 1.65 -0.98 0.02 0.00 0.00 175.30 176.19 3i54 s ARG 60 N 0.13 4.20 0.22 3.54 1.04 -1.26 -1.55 118.95 125.26 3i54 s ARG 60 Ca -0.03 2.36 -0.04 0.00 -1.04 0.00 0.00 55.73 56.98 3i54 s ARG 60 Cb -0.10 -3.51 -0.05 0.00 -2.04 0.00 0.00 34.95 29.26 3i54 s ARG 60 CO 0.01 -0.72 0.46 0.00 -0.04 0.00 0.00 175.30 175.01 3i54 s ALA 61 N 2.34 3.73 0.52 7.88 0.00 0.11 -4.90 121.76 131.43 3i54 s ALA 61 Ca 0.74 -0.63 0.23 0.00 0.00 0.00 0.00 51.96 52.30 3i54 s ALA 61 Cb -0.41 -2.17 1.47 0.00 0.00 0.00 0.00 23.12 22.01 3i54 s ALA 61 CO 0.32 0.42 2.15 -1.35 0.00 0.00 0.00 175.76 177.31 3i54 h PRO 62 N 2.11 0.00 0.00 0.00 0.11 -1.96 0.29 132.00 132.55 3i54 h PRO 62 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i54 h PRO 62 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3i54 h PRO 62 CO 0.68 0.06 -0.00 0.38 -0.21 0.00 0.00 178.00 178.91 3i54 h ASP 63 N 0.00 0.00 0.00 -2.05 2.03 -2.03 -3.46 116.42 110.91 3i54 h ASP 63 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3i54 h ASP 63 Cb 0.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 3i54 h ASP 63 CO 0.01 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 3i54 n GLY 64 N -1.42 2.50 3.71 7.15 0.00 0.09 -5.09 105.19 112.14 3i54 n GLY 64 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3i54 n GLY 64 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i54 s ARG 65 N -0.33 1.38 0.03 1.61 1.04 -1.25 -4.68 118.95 116.74 3i54 s ARG 65 Ca 0.00 1.03 0.07 0.00 -1.04 0.00 0.00 55.73 55.79 3i54 s ARG 65 Cb 0.00 -1.81 -0.03 0.00 -2.04 0.00 0.00 34.95 31.07 3i54 s ARG 65 CO 0.00 -2.21 -0.18 -2.00 -0.04 0.00 0.00 175.30 170.86 3i54 s GLU 66 N -4.85 2.11 -0.08 3.89 2.12 -1.26 0.08 118.70 120.71 3i54 s GLU 66 Ca 0.63 -0.95 -0.00 0.00 0.36 0.00 0.00 54.97 55.01 3i54 s GLU 66 Cb -0.19 -2.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.98 3i54 s GLU 66 CO 0.57 0.55 -0.04 0.54 -0.54 0.00 0.00 175.26 176.34 3i54 s ASN 67 N -1.33 4.89 -0.18 -1.70 2.20 -0.60 -4.79 114.94 113.44 3i54 s ASN 67 Ca 0.14 0.05 -0.15 0.00 -0.94 0.00 0.00 52.86 51.96 3i54 s ASN 67 Cb -0.10 -1.30 -0.04 0.00 -2.00 0.00 0.00 41.25 37.80 3i54 s ASN 67 CO 0.04 0.37 0.35 -0.76 -2.94 0.00 0.00 177.10 174.16 3i54 s LEU 68 N -0.82 4.20 0.04 3.54 1.43 -0.91 -0.10 118.68 126.07 3i54 s LEU 68 Ca 0.12 0.52 0.06 0.00 -1.03 0.00 0.00 54.13 53.80 3i54 s LEU 68 Cb -0.11 -2.45 -0.23 0.00 0.03 0.00 0.00 46.19 43.43 3i54 s LEU 68 CO 0.02 0.02 1.00 -0.07 0.23 0.00 0.00 176.35 177.54 3i54 h LEU 69 N 7.12 0.10 -7.24 1.79 3.38 -0.22 -3.39 115.31 116.85 3i54 h LEU 69 Ca -0.39 -0.13 0.26 0.00 0.09 0.00 0.00 57.88 57.70 3i54 h LEU 69 Cb 1.17 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.75 3i54 h LEU 69 CO 0.73 1.11 0.72 0.28 0.09 0.00 0.00 178.44 181.38 3i54 s THR 70 N -2.65 0.00 -0.18 0.22 -1.32 -1.24 -5.03 115.64 105.44 3i54 s THR 70 Ca -0.03 -0.24 -0.04 0.00 -1.21 0.00 0.00 61.69 60.18 3i54 s THR 70 Cb 0.09 -1.66 -0.02 0.00 -1.51 0.00 0.00 72.50 69.40 3i54 s THR 70 CO 0.83 0.00 -0.04 -0.63 -2.21 0.00 0.00 174.62 172.57 3i54 s ILE 71 N -2.67 3.66 0.10 5.08 -1.09 -1.26 -1.74 121.20 123.28 3i54 s ILE 71 Ca 0.12 -0.42 -0.09 0.00 -2.23 0.00 0.00 60.65 58.03 3i54 s ILE 71 Cb 0.02 -2.63 -0.06 0.00 -1.58 0.00 0.00 42.46 38.21 3i54 s ILE 71 CO -0.03 0.46 0.41 -0.04 -1.23 0.00 0.00 174.94 174.50 3i54 s MET 72 N 0.85 3.74 0.00 2.79 -1.94 0.15 -4.94 119.30 119.95 3i54 s MET 72 Ca -0.01 0.14 0.00 0.00 -1.71 0.00 0.00 55.69 54.11 3i54 s MET 72 Cb -0.15 -2.95 0.00 0.00 2.01 0.00 0.00 34.83 33.75 3i54 s MET 72 CO 0.02 0.53 0.00 0.41 -0.01 0.00 0.00 175.02 175.96 3i54 n GLY 73 N 0.70 4.48 3.68 -0.03 0.00 -1.26 -1.01 105.19 111.75 3i54 n GLY 73 Ca -0.06 -1.70 -0.44 0.00 0.00 0.00 0.00 46.02 43.82 3i54 n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i54 n PRO 74 N 0.00 2.06 -0.34 1.61 -0.02 -1.24 -1.24 135.00 135.84 3i54 n PRO 74 Ca 0.00 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3i54 n PRO 74 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 3i54 n PRO 74 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i54 n SER 75 N 1.48 0.00 -4.81 2.55 3.41 0.87 -4.99 113.62 112.13 3i54 n SER 75 Ca 0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.34 3i54 n SER 75 Cb 0.34 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 3i54 n SER 75 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3i54 s ASP 76 N -3.50 7.06 -0.10 4.04 1.01 -0.37 -4.53 116.67 120.28 3i54 s ASP 76 Ca 0.00 1.53 -0.03 0.00 0.71 0.00 0.00 52.55 54.76 3i54 s ASP 76 Cb 0.00 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 3i54 s ASP 76 CO 0.00 -0.09 0.03 -0.32 0.21 0.00 0.00 175.17 175.00 3i54 s MET 77 N -2.34 3.17 0.04 8.23 -2.45 -1.26 -0.85 119.30 123.84 3i54 s MET 77 Ca 0.49 -0.35 -0.02 0.00 -1.25 0.00 0.00 55.69 54.56 3i54 s MET 77 Cb -0.15 -2.91 -0.03 0.00 1.25 0.00 0.00 34.83 33.00 3i54 s MET 77 CO 0.20 0.67 -0.00 -0.59 1.05 0.00 0.00 175.02 176.34 3i54 s PHE 78 N -0.76 0.36 0.00 4.11 -0.71 0.14 -4.88 117.98 116.24 3i54 s PHE 78 Ca 0.12 -0.76 0.00 0.00 -1.04 0.00 0.00 56.93 55.25 3i54 s PHE 78 Cb -0.12 -0.26 0.00 0.00 -1.21 0.00 0.00 43.02 41.43 3i54 s PHE 78 CO 0.02 -0.31 0.00 0.41 -1.34 0.00 0.00 175.22 174.00 3i54 n GLY 79 N 0.75 0.69 0.07 1.99 0.00 -1.26 0.17 105.19 107.61 3i54 n GLY 79 Ca -0.18 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 3i54 n GLY 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3i54 h GLU 80 N 0.71 0.03 -0.67 1.61 9.09 -1.90 -3.36 114.58 120.09 3i54 h GLU 80 Ca 0.00 -0.05 -0.05 0.00 0.05 0.00 0.00 59.36 59.30 3i54 h GLU 80 Cb 0.00 0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 27.09 3i54 h GLU 80 CO 0.00 0.82 0.22 -0.07 0.05 0.00 0.00 179.01 180.03 3i54 h LEU 81 N 0.01 0.97 -0.54 3.06 3.38 -1.96 -0.07 115.31 120.17 3i54 h LEU 81 Ca -0.14 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3i54 h LEU 81 Cb 1.89 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3i54 h LEU 81 CO 0.11 0.92 0.00 -1.54 0.09 0.00 0.00 178.44 178.02 3i54 n SER 82 N -4.34 0.68 -0.00 -0.43 3.41 -1.26 -0.36 113.62 111.32 3i54 n SER 82 Ca 0.05 0.64 -0.20 0.00 -0.26 0.00 0.00 58.87 59.10 3i54 n SER 82 Cb 0.21 -0.80 -0.14 0.00 -0.26 0.00 0.00 64.21 63.23 3i54 n SER 82 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3i54 h ILE 83 N 0.00 1.25 0.00 -1.33 2.04 -1.43 -3.19 117.51 114.86 3i54 h ILE 83 Ca 0.00 -2.41 -0.15 0.00 1.00 0.00 0.00 64.86 63.30 3i54 h ILE 83 Cb 0.44 2.88 -0.02 0.00 -0.74 0.00 0.00 36.82 39.39 3i54 h ILE 83 CO 0.00 0.65 -0.70 -0.26 0.00 0.00 0.00 178.15 177.84 3i54 h PHE 84 N -0.48 0.00 -2.51 1.37 0.04 -0.78 -3.36 116.94 111.22 3i54 h PHE 84 Ca -0.23 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 59.95 3i54 h PHE 84 Cb 1.59 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 39.34 3i54 h PHE 84 CO 0.16 0.70 -0.83 -3.47 -0.60 0.00 0.00 178.31 174.28 3i54 n ASP 85 N -3.70 1.18 -4.48 2.17 2.03 0.51 -5.10 116.55 109.16 3i54 n ASP 85 Ca -0.01 -2.80 -0.53 0.00 0.52 0.00 0.00 54.79 51.97 3i54 n ASP 85 Cb 0.69 -0.64 -0.05 0.00 -0.72 0.00 0.00 41.12 40.39 3i54 n ASP 85 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3i54 n PRO 86 N 2.12 0.26 -3.02 -0.67 -0.02 -1.20 -4.52 135.00 127.95 3i54 n PRO 86 Ca 0.26 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3i54 n PRO 86 Cb 0.44 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 3i54 n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i54 n GLY 87 N 1.79 -1.63 3.86 -1.23 0.00 -1.25 -5.05 105.19 101.67 3i54 n GLY 87 Ca 0.18 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 3i54 n GLY 87 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i54 s PRO 88 N -1.83 3.81 0.09 1.61 0.02 -1.26 -3.70 135.00 133.74 3i54 s PRO 88 Ca 0.00 0.78 -0.36 0.00 0.02 0.00 0.00 61.00 61.43 3i54 s PRO 88 Cb 0.00 -2.18 -0.17 0.00 0.02 0.00 0.00 34.50 32.17 3i54 s PRO 88 CO 0.00 -0.30 1.20 0.54 -0.33 0.00 0.00 177.00 178.11 3i54 n ARG 89 N -1.87 0.84 0.15 5.54 5.12 0.11 -4.76 116.66 121.79 3i54 n ARG 89 Ca 0.05 0.30 0.13 0.00 -1.93 0.00 0.00 57.85 56.40 3i54 n ARG 89 Cb 0.54 -1.85 0.28 0.00 -1.16 0.00 0.00 32.46 30.27 3i54 n ARG 89 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3i54 h THR 90 N 3.00 0.00 -3.37 0.55 1.35 -1.91 0.88 112.91 113.41 3i54 h THR 90 Ca -0.47 -0.71 -0.05 0.00 -0.55 0.00 0.00 66.41 64.64 3i54 h THR 90 Cb 1.36 1.67 -0.05 0.00 -1.73 0.00 0.00 68.15 69.40 3i54 h THR 90 CO 0.72 0.00 0.08 -0.44 -0.25 0.00 0.00 175.52 175.63 3i54 s SER 91 N -5.22 0.07 0.35 5.36 0.01 -1.26 -4.83 113.70 108.18 3i54 s SER 91 Ca 0.09 -1.01 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 3i54 s SER 91 Cb 0.09 0.72 -0.03 0.00 0.21 0.00 0.00 66.02 67.01 3i54 s SER 91 CO 0.64 -1.39 0.57 -0.94 0.41 0.00 0.00 173.24 172.53 3i54 s SER 92 N -3.05 6.31 -0.08 2.44 1.04 -0.01 -2.85 113.70 117.49 3i54 s SER 92 Ca 0.19 0.52 -0.01 0.00 0.48 0.00 0.00 55.95 57.13 3i54 s SER 92 Cb -0.03 -2.06 0.03 0.00 0.10 0.00 0.00 66.02 64.05 3i54 s SER 92 CO 0.11 -0.31 -0.04 0.00 0.98 0.00 0.00 173.24 173.99 3i54 s ALA 93 N -2.33 0.95 -0.04 5.32 0.00 -0.82 -1.92 121.76 122.91 3i54 s ALA 93 Ca 0.41 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.11 3i54 s ALA 93 Cb -0.10 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.27 3i54 s ALA 93 CO 0.36 -0.37 -0.11 0.99 0.00 0.00 0.00 175.76 176.63 3i54 s THR 94 N 1.71 1.01 0.31 0.00 2.01 -0.72 -0.18 115.64 119.77 3i54 s THR 94 Ca 0.02 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 3i54 s THR 94 Cb -0.13 -0.91 -0.10 0.00 0.01 0.00 0.00 72.50 71.38 3i54 s THR 94 CO -0.05 0.31 1.17 0.42 -0.69 0.00 0.00 174.62 175.78 3i54 s THR 95 N 0.36 3.22 -0.89 -0.82 -4.23 0.07 -0.55 115.64 112.80 3i54 s THR 95 Ca -0.07 1.21 0.12 0.00 -1.18 0.00 0.00 61.69 61.76 3i54 s THR 95 Cb -0.12 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 3i54 s THR 95 CO 0.02 0.27 0.62 2.30 -0.54 0.00 0.00 174.62 177.29 3i54 n ILE 96 N 0.97 0.00 -4.34 2.99 -5.35 -0.28 -0.85 119.36 112.50 3i54 n ILE 96 Ca -0.00 -0.33 -0.21 0.00 -0.27 0.00 0.00 62.75 61.93 3i54 n ILE 96 Cb 0.44 1.09 -0.08 0.00 -1.74 0.00 0.00 39.64 39.35 3i54 n ILE 96 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3i54 s THR 97 N -1.70 0.10 0.35 7.28 -4.23 -1.22 -4.76 115.64 111.46 3i54 s THR 97 Ca 0.08 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.30 3i54 s THR 97 Cb 0.09 -2.45 -0.11 0.00 1.34 0.00 0.00 72.50 71.37 3i54 s THR 97 CO 0.35 0.00 1.40 -1.61 -0.54 0.00 0.00 174.62 174.22 3i54 s GLU 98 N -3.45 4.23 -0.04 3.99 2.02 -1.26 -3.47 118.70 120.71 3i54 s GLU 98 Ca 0.37 2.40 0.03 0.00 0.02 0.00 0.00 54.97 57.79 3i54 s GLU 98 Cb 0.02 -3.02 0.01 0.00 0.10 0.00 0.00 34.13 31.24 3i54 s GLU 98 CO 0.26 -0.37 -0.11 0.08 0.02 0.00 0.00 175.26 175.14 3i54 s VAL 99 N -1.10 1.00 -0.12 2.63 1.01 -0.63 -3.92 120.40 119.27 3i54 s VAL 99 Ca 0.51 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 3i54 s VAL 99 Cb -0.43 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3i54 s VAL 99 CO 0.58 0.31 -0.03 -0.60 0.00 0.00 0.00 175.10 175.36 3i54 s ARG 100 N 0.36 3.33 0.06 2.72 3.52 -0.25 -0.89 118.95 127.79 3i54 s ARG 100 Ca -0.07 -0.49 -0.01 0.00 -0.13 0.00 0.00 55.73 55.03 3i54 s ARG 100 Cb -0.12 -2.83 -0.04 0.00 -1.56 0.00 0.00 34.95 30.40 3i54 s ARG 100 CO 0.02 0.44 -0.02 0.00 -0.81 0.00 0.00 175.30 174.94 3i54 s ALA 101 N -0.19 0.49 0.02 6.12 0.00 -0.01 -0.44 121.76 127.76 3i54 s ALA 101 Ca 0.04 -1.20 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 3i54 s ALA 101 Cb -0.13 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3i54 s ALA 101 CO 0.02 -0.38 0.12 0.08 0.00 0.00 0.00 175.76 175.60 3i54 s VAL 102 N -3.92 4.93 0.04 0.00 1.01 -0.46 0.35 120.40 122.34 3i54 s VAL 102 Ca 0.08 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 3i54 s VAL 102 Cb 0.08 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3i54 s VAL 102 CO -0.09 0.26 -0.03 -0.94 0.00 0.00 0.00 175.10 174.30 3i54 s SER 103 N -2.04 0.40 -0.11 3.32 1.04 -0.81 -1.07 113.70 114.42 3i54 s SER 103 Ca 0.27 -0.71 -0.22 0.00 0.48 0.00 0.00 55.95 55.76 3i54 s SER 103 Cb -0.12 0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.19 3i54 s SER 103 CO 0.19 -0.42 0.54 0.00 0.98 0.00 0.00 173.24 174.53 3i54 s MET 104 N -2.50 0.79 0.69 4.02 0.23 -0.84 -4.28 119.30 117.42 3i54 s MET 104 Ca -0.06 0.39 -0.07 0.00 -1.03 0.00 0.00 55.69 54.91 3i54 s MET 104 Cb -0.03 0.38 0.15 0.00 -1.53 0.00 0.00 34.83 33.80 3i54 s MET 104 CO -0.05 -0.19 0.94 -0.40 -2.03 0.00 0.00 175.02 173.30 3i54 n ASP 105 N 1.81 0.53 -0.24 -1.18 5.68 -1.26 -1.15 116.55 120.74 3i54 n ASP 105 Ca -0.17 -1.62 -0.08 0.00 -0.50 0.00 0.00 54.79 52.42 3i54 n ASP 105 Cb 0.56 -0.68 0.04 0.00 -1.14 0.00 0.00 41.12 39.91 3i54 n ASP 105 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3i54 h ARG 106 N 0.00 1.12 0.40 0.11 2.43 -1.97 -1.86 114.38 114.60 3i54 h ARG 106 Ca -0.31 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 58.56 3i54 h ARG 106 Cb 0.96 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 3i54 h ARG 106 CO 0.26 1.02 -0.38 -0.44 -1.51 0.00 0.00 179.97 178.92 3i54 h ASP 107 N 1.04 -1.03 -0.85 -3.80 5.19 -1.94 -0.33 116.42 114.71 3i54 h ASP 107 Ca 0.20 0.09 0.11 0.00 -0.62 0.00 0.00 57.03 56.81 3i54 h ASP 107 Cb 0.45 0.34 -0.08 0.00 0.18 0.00 0.00 39.33 40.23 3i54 h ASP 107 CO 0.01 -0.53 0.48 0.00 -3.12 0.00 0.00 179.24 176.08 3i54 h ALA 108 N -0.40 1.23 -0.42 3.45 0.00 -1.92 -0.93 119.26 120.27 3i54 h ALA 108 Ca -0.03 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3i54 h ALA 108 Cb 0.71 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3i54 h ALA 108 CO -0.05 0.07 0.07 1.25 0.00 0.00 0.00 179.25 180.59 3i54 h LEU 109 N 0.78 0.67 -1.10 0.00 5.85 -1.03 0.38 115.31 120.84 3i54 h LEU 109 Ca 0.42 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3i54 h LEU 109 Cb 0.44 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3i54 h LEU 109 CO -0.27 0.75 -0.24 0.03 -0.34 0.00 0.00 178.44 178.37 3i54 h ARG 110 N 0.55 0.34 -0.20 1.25 3.08 -0.61 -0.07 114.38 118.73 3i54 h ARG 110 Ca 0.13 -0.12 -0.16 0.00 0.07 0.00 0.00 59.98 59.90 3i54 h ARG 110 Cb 0.37 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3i54 h ARG 110 CO 0.01 0.57 -0.55 0.77 -1.07 0.00 0.00 179.97 179.70 3i54 h SER 111 N 0.31 0.65 -0.62 7.04 0.02 -1.03 -0.86 113.55 119.06 3i54 h SER 111 Ca 0.05 -0.35 -0.06 0.00 -0.84 0.00 0.00 61.79 60.60 3i54 h SER 111 Cb 0.59 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 3i54 h SER 111 CO 0.04 1.07 0.17 -0.25 -1.14 0.00 0.00 176.83 176.72 3i54 h TRP 112 N 0.45 1.02 -0.32 3.45 7.01 -0.44 -1.79 115.95 125.33 3i54 h TRP 112 Ca 0.01 -0.11 -0.06 0.00 2.11 0.00 0.00 58.89 60.83 3i54 h TRP 112 Cb 1.10 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 3i54 h TRP 112 CO 0.05 0.85 -0.04 0.82 -2.79 0.00 0.00 178.44 177.32 3i54 h ILE 113 N 0.90 1.27 -0.81 2.65 1.08 -0.96 -1.40 117.51 120.25 3i54 h ILE 113 Ca 0.20 -1.05 0.15 0.00 -0.39 0.00 0.00 64.86 63.76 3i54 h ILE 113 Cb 0.32 1.31 -0.06 0.00 -3.07 0.00 0.00 36.82 35.33 3i54 h ILE 113 CO -0.00 0.34 0.53 0.00 -0.69 0.00 0.00 178.15 178.33 3i54 h ALA 114 N 0.82 2.02 -0.21 1.87 0.00 -1.00 -0.15 119.26 122.61 3i54 h ALA 114 Ca 0.09 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3i54 h ALA 114 Cb 0.51 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i54 h ALA 114 CO 0.02 -0.24 -0.34 0.22 0.00 0.00 0.00 179.25 178.92 3i54 h ASP 115 N 0.51 0.65 -2.91 0.00 1.82 -0.91 -3.39 116.42 112.19 3i54 h ASP 115 Ca 0.40 -0.53 -0.60 0.00 -0.39 0.00 0.00 57.03 55.91 3i54 h ASP 115 Cb 0.81 -0.19 -0.39 0.00 0.68 0.00 0.00 39.33 40.24 3i54 h ASP 115 CO -0.15 1.06 -0.81 -0.60 -1.61 0.00 0.00 179.24 177.12 3i54 s ARG 116 N -4.13 1.08 0.65 0.28 3.52 -0.57 -5.00 118.95 114.78 3i54 s ARG 116 Ca -0.13 -1.95 0.42 0.00 -0.13 0.00 0.00 55.73 53.95 3i54 s ARG 116 Cb 0.07 -1.90 2.30 0.00 -1.56 0.00 0.00 34.95 33.86 3i54 s ARG 116 CO 0.82 -1.24 2.30 -1.00 -0.81 0.00 0.00 175.30 175.36 3i54 h PRO 117 N 6.43 0.00 0.00 5.12 0.13 -1.26 -2.64 132.00 139.79 3i54 h PRO 117 Ca 0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 3i54 h PRO 117 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3i54 h PRO 117 CO 0.41 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 178.95 3i54 h GLU 118 N 0.00 0.00 -1.06 0.86 3.07 -1.94 -2.49 114.58 113.02 3i54 h GLU 118 Ca 0.00 0.00 0.29 0.00 -0.50 0.00 0.00 59.36 59.15 3i54 h GLU 118 Cb 0.08 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.87 3i54 h GLU 118 CO 0.00 0.16 0.65 0.82 -1.40 0.00 0.00 179.01 179.24 3i54 h ILE 119 N 0.00 0.44 -0.21 3.13 2.04 -1.70 -1.33 117.51 119.89 3i54 h ILE 119 Ca -0.00 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3i54 h ILE 119 Cb 0.31 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3i54 h ILE 119 CO 0.02 0.07 0.05 0.28 0.00 0.00 0.00 178.15 178.57 3i54 h SER 120 N 0.40 0.26 -0.11 1.72 0.02 -1.68 -1.72 113.55 112.45 3i54 h SER 120 Ca 0.66 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.49 3i54 h SER 120 Cb 1.58 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.04 3i54 h SER 120 CO -0.41 0.27 -0.21 -0.08 -1.14 0.00 0.00 176.83 175.26 3i54 h GLU 121 N 0.29 0.52 -0.28 3.45 4.81 -1.43 -0.59 114.58 121.37 3i54 h GLU 121 Ca 0.07 -0.18 -0.15 0.00 -0.13 0.00 0.00 59.36 58.97 3i54 h GLU 121 Cb 0.12 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3i54 h GLU 121 CO -0.00 0.70 -0.43 0.37 -0.73 0.00 0.00 179.01 178.92 3i54 h GLN 122 N 0.47 0.69 -0.47 1.92 5.75 -1.39 -1.90 115.11 120.18 3i54 h GLN 122 Ca 0.07 -0.37 -0.07 0.00 -0.15 0.00 0.00 58.65 58.13 3i54 h GLN 122 Cb 0.62 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 3i54 h GLN 122 CO 0.04 0.99 -0.01 -0.07 -2.65 0.00 0.00 178.83 177.13 3i54 h LEU 123 N 0.56 0.74 -0.33 -2.39 3.38 -0.96 -1.42 115.31 114.88 3i54 h LEU 123 Ca 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3i54 h LEU 123 Cb 0.97 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3i54 h LEU 123 CO 0.09 0.81 0.13 -0.07 0.09 0.00 0.00 178.44 179.49 3i54 h LEU 124 N 0.72 0.47 -0.55 1.67 3.38 -1.03 -2.48 115.31 117.49 3i54 h LEU 124 Ca 0.14 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3i54 h LEU 124 Cb 0.45 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3i54 h LEU 124 CO 0.02 0.52 0.27 -0.09 0.09 0.00 0.00 178.44 179.24 3i54 h ARG 125 N 0.39 0.49 -0.15 1.13 2.43 -1.06 -1.17 114.38 116.44 3i54 h ARG 125 Ca 0.11 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3i54 h ARG 125 Cb 0.20 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3i54 h ARG 125 CO -0.01 0.33 0.04 0.28 -1.51 0.00 0.00 179.97 179.10 3i54 h VAL 126 N 0.51 1.20 -0.34 0.20 2.07 -1.19 -1.42 116.25 117.27 3i54 h VAL 126 Ca 0.25 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3i54 h VAL 126 Cb 0.18 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3i54 h VAL 126 CO -0.19 0.19 0.21 -0.07 0.02 0.00 0.00 177.57 177.73 3i54 h LEU 127 N 0.05 0.41 -0.65 2.57 3.38 -1.38 -0.81 115.31 118.88 3i54 h LEU 127 Ca 0.05 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3i54 h LEU 127 Cb 0.26 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 3i54 h LEU 127 CO 0.00 0.33 0.26 0.00 0.09 0.00 0.00 178.44 179.12 3i54 h ALA 128 N 1.09 0.87 -0.44 1.53 0.00 -0.96 -0.05 119.26 121.30 3i54 h ALA 128 Ca 0.12 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3i54 h ALA 128 Cb -0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i54 h ALA 128 CO -0.02 -0.17 -0.24 0.00 0.00 0.00 0.00 179.25 178.82 3i54 h ARG 129 N 0.45 0.92 -0.55 0.00 3.08 -0.96 -0.59 114.38 116.73 3i54 h ARG 129 Ca 0.33 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3i54 h ARG 129 Cb 0.42 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3i54 h ARG 129 CO -0.32 1.06 0.17 -0.09 -1.07 0.00 0.00 179.97 179.71 3i54 h ARG 130 N 0.79 0.83 -0.17 0.04 2.43 -0.64 -0.21 114.38 117.45 3i54 h ARG 130 Ca 0.10 -0.15 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 3i54 h ARG 130 Cb 0.80 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3i54 h ARG 130 CO 0.07 0.72 -0.72 1.25 -1.51 0.00 0.00 179.97 179.78 3i54 h LEU 131 N 0.81 0.86 -0.36 3.80 5.85 -0.66 -1.16 115.31 124.45 3i54 h LEU 131 Ca 0.18 -0.54 0.05 0.00 0.84 0.00 0.00 57.88 58.42 3i54 h LEU 131 Cb 0.24 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3i54 h LEU 131 CO -0.01 1.32 0.09 0.03 -0.34 0.00 0.00 178.44 179.54 3i54 h ARG 132 N 0.52 0.22 -0.41 1.25 3.08 -0.66 -1.54 114.38 116.83 3i54 h ARG 132 Ca -0.03 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 3i54 h ARG 132 Cb 1.33 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 3i54 h ARG 132 CO 0.14 0.14 -0.25 -0.09 -1.07 0.00 0.00 179.97 178.85 3i54 h ARG 133 N 0.23 0.86 -0.43 0.04 2.43 -0.98 -2.79 114.38 113.74 3i54 h ARG 133 Ca 0.17 -0.38 -0.11 0.00 -0.81 0.00 0.00 59.98 58.85 3i54 h ARG 133 Cb 0.18 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3i54 h ARG 133 CO -0.20 1.02 -0.18 1.15 -1.51 0.00 0.00 179.97 180.25 3i54 h THR 134 N 0.74 1.27 -0.67 0.20 2.02 -0.91 -0.29 112.91 115.26 3i54 h THR 134 Ca 0.09 -1.29 0.13 0.00 0.77 0.00 0.00 66.41 66.11 3i54 h THR 134 Cb 0.80 1.12 -0.09 0.00 -1.74 0.00 0.00 68.15 68.24 3i54 h THR 134 CO 0.07 0.44 0.19 0.78 0.37 0.00 0.00 175.52 177.37 3i54 h ASN 135 N 0.74 0.09 -0.17 4.18 2.35 -1.20 -0.95 115.58 120.62 3i54 h ASN 135 Ca 0.11 0.12 -0.18 0.00 -0.55 0.00 0.00 56.30 55.80 3i54 h ASN 135 Cb 0.70 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 3i54 h ASN 135 CO 0.05 0.04 -0.55 0.78 -1.65 0.00 0.00 177.43 176.09 3i54 h ASN 136 N 0.32 0.85 -0.48 5.81 2.35 -1.18 -1.20 115.58 122.06 3i54 h ASN 136 Ca 0.36 -0.46 0.07 0.00 -0.55 0.00 0.00 56.30 55.72 3i54 h ASN 136 Cb 0.55 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 3i54 h ASN 136 CO -0.42 1.23 0.14 0.78 -1.65 0.00 0.00 177.43 177.52 3i54 h ASN 137 N 0.59 0.10 0.13 5.81 2.35 -0.71 -1.17 115.58 122.69 3i54 h ASN 137 Ca 0.01 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3i54 h ASN 137 Cb 1.14 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 3i54 h ASN 137 CO 0.12 0.09 -0.09 0.25 -1.65 0.00 0.00 177.43 176.14 3i54 h LEU 138 N 0.30 -0.23 -0.67 1.61 6.46 -1.08 -2.48 115.31 119.21 3i54 h LEU 138 Ca 0.23 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 58.09 3i54 h LEU 138 Cb 0.27 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.21 3i54 h LEU 138 CO -0.27 -0.15 0.34 0.00 -0.62 0.00 0.00 178.44 177.75 3i54 h ALA 139 N 0.64 0.90 -0.23 1.25 0.00 -0.95 -2.37 119.26 118.50 3i54 h ALA 139 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3i54 h ALA 139 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3i54 h ALA 139 CO 0.00 -0.03 -0.02 -0.44 0.00 0.00 0.00 179.25 178.77 3i54 h ASP 140 N 0.61 0.31 -0.28 0.00 3.32 -0.90 0.25 116.42 119.73 3i54 h ASP 140 Ca 0.32 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 57.15 3i54 h ASP 140 Cb 0.28 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3i54 h ASP 140 CO -0.23 0.39 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.13 3i54 h LEU 141 N 0.33 0.90 0.40 1.55 3.38 -1.10 0.12 115.31 120.90 3i54 h LEU 141 Ca 0.08 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 3i54 h LEU 141 Cb 0.25 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i54 h LEU 141 CO 0.01 1.25 -0.19 0.40 0.09 0.00 0.00 178.44 180.00 3i54 h ILE 142 N 0.58 0.61 0.00 1.22 2.04 -0.86 -3.39 117.51 117.71 3i54 h ILE 142 Ca 0.02 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3i54 h ILE 142 Cb 1.08 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3i54 h ILE 142 CO 0.11 0.02 -1.42 0.49 0.00 0.00 0.00 178.15 177.34 3i54 n PHE 143 N -5.30 0.05 -4.58 1.37 3.72 0.81 -4.99 117.46 108.54 3i54 n PHE 143 Ca -0.11 0.01 -0.31 0.00 -0.05 0.00 0.00 57.45 56.99 3i54 n PHE 143 Cb 0.24 -0.28 -0.17 0.00 -0.94 0.00 0.00 39.48 38.34 3i54 n PHE 143 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3i54 s THR 144 N -3.25 1.88 0.99 4.37 2.01 0.41 -5.04 115.64 117.01 3i54 s THR 144 Ca 0.01 -0.87 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 3i54 s THR 144 Cb 0.15 -1.68 0.19 0.00 0.01 0.00 0.00 72.50 71.17 3i54 s THR 144 CO 0.88 0.52 1.10 1.51 -0.69 0.00 0.00 174.62 177.93 3i54 s ASP 145 N 0.89 2.34 0.14 3.53 3.84 -1.26 -4.54 116.67 121.60 3i54 s ASP 145 Ca -0.06 1.93 -0.26 0.00 -0.00 0.00 0.00 52.55 54.16 3i54 s ASP 145 Cb -0.15 -2.47 -0.02 0.00 -1.38 0.00 0.00 42.92 38.90 3i54 s ASP 145 CO -0.02 -3.42 1.61 0.58 -0.00 0.00 0.00 175.17 173.92 3i54 h VAL 146 N -2.09 0.30 0.00 2.11 2.07 -1.97 -0.67 116.25 116.00 3i54 h VAL 146 Ca -0.49 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3i54 h VAL 146 Cb 1.29 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3i54 h VAL 146 CO 0.45 0.00 -0.07 -0.65 0.02 0.00 0.00 177.57 177.33 3i54 h PRO 147 N -0.39 0.00 -0.19 1.57 0.11 -1.91 -0.32 132.00 130.87 3i54 h PRO 147 Ca 0.10 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.04 3i54 h PRO 147 Cb 0.54 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 3i54 h PRO 147 CO -0.35 0.07 -0.57 0.78 -0.21 0.00 0.00 178.00 177.72 3i54 h GLY 148 N 0.72 0.66 1.20 -0.55 0.00 -1.37 -1.34 103.07 102.38 3i54 h GLY 148 Ca -0.00 -0.78 -0.19 0.00 0.00 0.00 0.00 47.33 46.36 3i54 h GLY 148 CO 0.01 0.70 -0.61 3.21 0.00 0.00 0.00 176.54 179.85 3i54 h ARG 149 N 0.46 0.83 -0.44 4.80 3.08 -0.22 -0.98 114.38 121.89 3i54 h ARG 149 Ca 0.00 -0.56 0.02 0.00 0.07 0.00 0.00 59.98 59.51 3i54 h ARG 149 Cb 1.12 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 3i54 h ARG 149 CO 0.11 1.19 0.26 0.28 -1.07 0.00 0.00 179.97 180.74 3i54 h VAL 150 N 0.62 1.05 -0.49 2.04 2.07 -1.04 0.14 116.25 120.63 3i54 h VAL 150 Ca -0.00 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 3i54 h VAL 150 Cb 1.22 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3i54 h VAL 150 CO 0.13 0.10 0.04 0.00 0.02 0.00 0.00 177.57 177.85 3i54 h ALA 151 N 1.20 0.66 -0.32 1.67 0.00 -1.18 -1.16 119.26 120.12 3i54 h ALA 151 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i54 h ALA 151 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3i54 h ALA 151 CO -0.08 0.43 0.20 -0.22 0.00 0.00 0.00 179.25 179.58 3i54 h LYS 152 N 0.71 0.43 -0.28 0.00 3.64 -0.94 -1.34 116.57 118.79 3i54 h LYS 152 Ca 0.14 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3i54 h LYS 152 Cb 0.46 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3i54 h LYS 152 CO 0.02 0.31 0.07 1.96 -2.27 0.00 0.00 179.45 179.53 3i54 h GLN 153 N 0.42 0.17 -0.58 1.90 1.08 -0.52 0.20 115.11 117.78 3i54 h GLN 153 Ca 0.12 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.41 3i54 h GLN 153 Cb -0.02 -0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.30 3i54 h GLN 153 CO -0.02 0.11 0.16 -0.07 -0.95 0.00 0.00 178.83 178.06 3i54 h LEU 154 N 0.18 0.08 -1.02 1.46 3.38 -0.97 -0.54 115.31 117.87 3i54 h LEU 154 Ca 0.13 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 3i54 h LEU 154 Cb 0.12 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3i54 h LEU 154 CO -0.16 0.05 -0.29 -0.07 0.09 0.00 0.00 178.44 178.07 3i54 h LEU 155 N 0.30 0.35 -0.01 1.67 3.38 -0.32 -1.09 115.31 119.59 3i54 h LEU 155 Ca 0.30 -0.12 -0.24 0.00 0.09 0.00 0.00 57.88 57.91 3i54 h LEU 155 Cb 0.41 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.09 3i54 h LEU 155 CO -0.35 0.64 -0.94 1.56 0.09 0.00 0.00 178.44 179.44 3i54 h GLN 156 N 0.31 0.65 -0.05 1.13 4.20 0.13 -1.81 115.11 119.67 3i54 h GLN 156 Ca 0.04 -0.69 -0.01 0.00 0.06 0.00 0.00 58.65 58.06 3i54 h GLN 156 Cb 0.67 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 3i54 h GLN 156 CO 0.05 1.28 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.41 3i54 h LEU 157 N 0.30 0.06 -0.49 1.46 3.38 -1.11 -2.21 115.31 116.70 3i54 h LEU 157 Ca -0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3i54 h LEU 157 Cb 1.60 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 3i54 h LEU 157 CO 0.18 0.08 0.28 0.00 0.09 0.00 0.00 178.44 179.08 3i54 h ALA 158 N 1.93 0.62 -0.19 1.53 0.00 -0.78 0.25 119.26 122.61 3i54 h ALA 158 Ca 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3i54 h ALA 158 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3i54 h ALA 158 CO 0.00 0.12 -0.08 1.96 0.00 0.00 0.00 179.25 181.26 3i54 h GLN 159 N 0.65 0.40 -0.13 0.00 4.20 -0.99 0.29 115.11 119.53 3i54 h GLN 159 Ca 0.17 -0.17 -0.22 0.00 0.06 0.00 0.00 58.65 58.50 3i54 h GLN 159 Cb 0.02 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.79 3i54 h GLN 159 CO -0.03 0.68 -0.79 0.00 -0.67 0.00 0.00 178.83 178.02 3i54 h ARG 160 N 0.09 0.71 0.00 1.46 2.47 -1.43 -3.39 114.38 114.29 3i54 h ARG 160 Ca 0.04 -0.59 -0.01 0.00 -1.26 0.00 0.00 59.98 58.16 3i54 h ARG 160 Cb 0.55 0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.97 3i54 h ARG 160 CO 0.03 1.20 -0.33 1.19 0.56 0.00 0.00 179.97 182.62 3i54 n PHE 161 N -3.91 0.00 -3.58 3.04 3.72 0.86 -5.07 117.46 112.53 3i54 n PHE 161 Ca -0.07 -0.59 -0.32 0.00 -0.05 0.00 0.00 57.45 56.42 3i54 n PHE 161 Cb 0.75 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 39.12 3i54 n PHE 161 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3i54 s GLY 162 N -2.07 2.26 0.00 1.37 0.00 0.10 -3.24 107.32 105.74 3i54 s GLY 162 Ca 0.20 -0.45 -0.00 0.00 0.00 0.00 0.00 44.72 44.47 3i54 s GLY 162 CO -0.01 -0.33 -0.00 -0.51 0.00 0.00 0.00 173.10 172.25 3i54 s THR 163 N -1.68 0.01 0.16 0.90 -4.23 0.10 -4.96 115.64 105.95 3i54 s THR 163 Ca 0.42 -0.09 -0.30 0.00 -1.18 0.00 0.00 61.69 60.54 3i54 s THR 163 Cb -0.12 -0.04 -0.07 0.00 1.34 0.00 0.00 72.50 73.61 3i54 s THR 163 CO 0.23 -0.05 1.13 -1.58 -0.54 0.00 0.00 174.62 173.81 3i54 s GLN 164 N -0.14 4.55 -0.46 3.99 2.00 -1.26 0.60 119.66 128.93 3i54 s GLN 164 Ca -0.02 1.75 0.03 0.00 -2.00 0.00 0.00 55.36 55.13 3i54 s GLN 164 Cb -0.01 -3.28 0.12 0.00 0.80 0.00 0.00 33.01 30.64 3i54 s GLN 164 CO -0.00 -0.01 0.21 -1.21 -0.50 0.00 0.00 175.29 173.78 3i54 s GLU 165 N -0.13 1.67 7.41 1.67 2.02 0.33 -4.84 118.70 126.83 3i54 s GLU 165 Ca 0.51 -2.28 0.00 0.00 0.02 0.00 0.00 54.97 53.23 3i54 s GLU 165 Cb -0.30 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 30.91 3i54 s GLU 165 CO 0.34 -1.08 0.00 0.41 0.02 0.00 0.00 175.26 174.95 3i54 n GLY 166 N 3.50 3.48 0.08 -1.39 0.00 -1.26 -1.96 105.19 107.64 3i54 n GLY 166 Ca 0.05 0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.43 3i54 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i54 n GLY 167 N 0.00 -1.09 3.66 -0.02 0.00 -1.26 -4.94 105.19 101.55 3i54 n GLY 167 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 3i54 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i54 s ALA 168 N -2.71 3.41 -0.17 4.61 0.00 -0.83 -4.93 121.76 121.14 3i54 s ALA 168 Ca 0.21 -1.89 -0.00 0.00 0.00 0.00 0.00 51.96 50.27 3i54 s ALA 168 Cb 0.19 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.39 3i54 s ALA 168 CO 0.55 -0.11 -0.14 -1.17 0.00 0.00 0.00 175.76 174.89 3i54 s LEU 169 N -3.77 2.51 -0.22 0.00 2.96 -0.98 0.12 118.68 119.30 3i54 s LEU 169 Ca 0.30 -0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 53.54 3i54 s LEU 169 Cb 0.08 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 3i54 s LEU 169 CO 0.15 0.05 0.55 -0.60 -1.32 0.00 0.00 176.35 175.18 3i54 s ARG 170 N 1.02 4.15 -0.38 1.98 3.52 0.20 -0.64 118.95 128.79 3i54 s ARG 170 Ca -0.01 0.43 -0.03 0.00 -0.13 0.00 0.00 55.73 55.99 3i54 s ARG 170 Cb -0.15 -3.60 0.09 0.00 -1.56 0.00 0.00 34.95 29.73 3i54 s ARG 170 CO -0.03 -0.25 0.15 0.08 -0.81 0.00 0.00 175.30 174.44 3i54 s VAL 171 N 1.97 3.35 -1.00 7.11 1.01 0.53 -0.72 120.40 132.64 3i54 s VAL 171 Ca 0.24 -1.77 -0.20 0.00 0.00 0.00 0.00 61.98 60.25 3i54 s VAL 171 Cb -0.16 -3.15 0.09 0.00 0.00 0.00 0.00 36.38 33.17 3i54 s VAL 171 CO 0.09 -0.50 1.32 -0.89 0.00 0.00 0.00 175.10 175.12 3i54 s THR 172 N 1.21 4.36 -0.02 3.92 2.01 -1.20 -0.27 115.64 125.65 3i54 s THR 172 Ca 0.04 -1.30 0.12 0.00 0.31 0.00 0.00 61.69 60.86 3i54 s THR 172 Cb -0.22 -4.93 -0.16 0.00 0.01 0.00 0.00 72.50 67.20 3i54 s THR 172 CO -0.02 -1.73 1.02 1.12 -0.69 0.00 0.00 174.62 174.32 3i54 h HIS 173 N 9.09 0.00 -0.94 4.92 2.07 -1.81 -3.47 115.15 125.00 3i54 h HIS 173 Ca 0.20 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.47 3i54 h HIS 173 Cb 1.00 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.91 3i54 h HIS 173 CO 1.23 0.84 -0.26 -0.25 -3.07 0.00 0.00 177.93 176.42 3i54 n ASP 174 N -3.15 -4.34 -4.61 3.10 8.00 -0.97 -5.00 116.55 109.59 3i54 n ASP 174 Ca -0.07 0.21 -0.32 0.00 0.71 0.00 0.00 54.79 55.32 3i54 n ASP 174 Cb 0.92 -3.11 -0.10 0.00 -0.02 0.00 0.00 41.12 38.81 3i54 n ASP 174 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i54 s LEU 175 N -3.06 3.24 0.74 0.64 1.43 -1.26 -4.90 118.68 115.50 3i54 s LEU 175 Ca 0.00 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 3i54 s LEU 175 Cb 0.00 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.42 3i54 s LEU 175 CO 0.00 0.29 1.08 0.42 0.23 0.00 0.00 176.35 178.37 3i54 s THR 176 N -0.99 3.61 0.34 5.49 -4.23 -1.26 -4.65 115.64 113.94 3i54 s THR 176 Ca 0.17 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.22 3i54 s THR 176 Cb -0.11 -3.24 0.25 0.00 1.34 0.00 0.00 72.50 70.74 3i54 s THR 176 CO 0.07 -0.68 1.99 1.56 -0.54 0.00 0.00 174.62 177.02 3i54 h GLN 177 N -0.90 0.85 -0.65 3.99 4.20 -2.00 -1.01 115.11 119.60 3i54 h GLN 177 Ca -0.45 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.25 3i54 h GLN 177 Cb 1.23 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.78 3i54 h GLN 177 CO 0.57 0.59 0.36 1.49 -0.67 0.00 0.00 178.83 181.17 3i54 h GLU 178 N 0.87 0.65 -0.32 1.46 4.57 -1.94 -1.39 114.58 118.49 3i54 h GLU 178 Ca 0.23 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.26 3i54 h GLU 178 Cb -0.06 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 3i54 h GLU 178 CO -0.05 0.43 -0.27 0.93 -1.18 0.00 0.00 179.01 178.87 3i54 h GLU 179 N 0.67 0.65 -0.88 1.92 5.08 -1.61 -0.15 114.58 120.25 3i54 h GLU 179 Ca 0.29 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3i54 h GLU 179 Cb 0.16 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3i54 h GLU 179 CO -0.17 0.85 0.58 0.82 -1.00 0.00 0.00 179.01 180.09 3i54 h ILE 180 N 0.56 1.22 -0.59 3.13 2.04 -0.83 -0.54 117.51 122.49 3i54 h ILE 180 Ca 0.07 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 3i54 h ILE 180 Cb 0.75 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3i54 h ILE 180 CO 0.06 0.22 0.05 0.00 0.00 0.00 0.00 178.15 178.48 3i54 h ALA 181 N 1.33 0.98 -0.00 1.87 0.00 -0.24 -1.53 119.26 121.67 3i54 h ALA 181 Ca 0.33 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3i54 h ALA 181 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3i54 h ALA 181 CO -0.08 0.63 -0.42 1.96 0.00 0.00 0.00 179.25 181.35 3i54 h GLN 182 N 0.92 0.00 -0.22 0.00 4.20 -0.52 -1.93 115.11 117.55 3i54 h GLN 182 Ca 0.18 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.75 3i54 h GLN 182 Cb 0.46 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3i54 h GLN 182 CO 0.02 0.42 -0.44 1.25 -0.67 0.00 0.00 178.83 179.41 3i54 h LEU 183 N 0.00 0.58 -0.93 1.46 5.85 -0.52 -2.41 115.31 119.35 3i54 h LEU 183 Ca -0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3i54 h LEU 183 Cb 0.75 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3i54 h LEU 183 CO 0.05 0.94 -0.06 0.52 -0.34 0.00 0.00 178.44 179.55 3i54 n VAL 184 N -4.01 0.00 -3.55 1.05 0.31 -0.63 -4.86 118.33 106.64 3i54 n VAL 184 Ca -0.02 -0.24 -0.21 0.00 -0.01 0.00 0.00 64.34 63.86 3i54 n VAL 184 Cb 0.54 0.56 0.05 0.00 -0.91 0.00 0.00 33.84 34.08 3i54 n VAL 184 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i54 n GLY 185 N 1.23 -0.59 3.53 2.92 0.00 -0.79 -4.96 105.19 106.52 3i54 n GLY 185 Ca 0.17 0.27 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 3i54 n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i54 s ALA 186 N -3.52 -0.51 0.51 4.61 0.00 -0.80 -5.06 121.76 116.99 3i54 s ALA 186 Ca 0.17 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.30 3i54 s ALA 186 Cb -0.04 0.93 -0.06 0.00 0.00 0.00 0.00 23.12 23.96 3i54 s ALA 186 CO 0.79 -0.81 1.30 -1.54 0.00 0.00 0.00 175.76 175.51 3i54 s SER 187 N -2.95 5.59 0.29 0.00 1.04 -1.26 -4.45 113.70 111.96 3i54 s SER 187 Ca 0.16 2.64 0.01 0.00 0.48 0.00 0.00 55.95 59.23 3i54 s SER 187 Cb -0.00 -2.63 0.68 0.00 0.10 0.00 0.00 66.02 64.17 3i54 s SER 187 CO 0.03 -1.34 1.63 0.03 0.98 0.00 0.00 173.24 174.56 3i54 h ARG 188 N 1.71 0.14 0.28 4.02 3.08 -1.92 -2.33 114.38 119.37 3i54 h ARG 188 Ca -0.50 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 3i54 h ARG 188 Cb 1.28 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3i54 h ARG 188 CO 0.58 0.09 -0.13 0.93 -1.07 0.00 0.00 179.97 180.38 3i54 h GLU 189 N 0.15 -0.36 -0.27 0.04 5.08 -1.99 -0.38 114.58 116.84 3i54 h GLU 189 Ca 0.54 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.95 3i54 h GLU 189 Cb 1.09 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 3i54 h GLU 189 CO -0.71 -0.17 0.12 1.15 -1.00 0.00 0.00 179.01 178.40 3i54 h THR 190 N -0.46 0.97 -0.07 1.13 2.02 -1.89 -2.24 112.91 112.36 3i54 h THR 190 Ca -0.04 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 3i54 h THR 190 Cb 0.35 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3i54 h THR 190 CO 0.06 0.05 -0.06 0.58 0.37 0.00 0.00 175.52 176.52 3i54 h VAL 191 N 0.26 1.36 -0.71 3.16 2.07 -1.31 -1.09 116.25 119.99 3i54 h VAL 191 Ca 0.12 -1.18 0.15 0.00 0.82 0.00 0.00 66.70 66.60 3i54 h VAL 191 Cb 0.06 2.01 -0.10 0.00 -1.52 0.00 0.00 31.29 31.73 3i54 h VAL 191 CO -0.10 0.33 0.18 0.78 0.02 0.00 0.00 177.57 178.78 3i54 h ASN 192 N -0.27 0.03 -0.32 0.57 2.35 -1.10 0.65 115.58 117.49 3i54 h ASN 192 Ca 0.01 0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 3i54 h ASN 192 Cb 0.55 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 3i54 h ASN 192 CO 0.02 -0.01 -0.25 0.11 -1.65 0.00 0.00 177.43 175.65 3i54 h LYS 193 N 0.28 0.82 -0.27 0.81 6.56 -1.02 0.97 116.57 124.73 3i54 h LYS 193 Ca 0.39 -0.35 -0.15 0.00 -1.06 0.00 0.00 60.65 59.48 3i54 h LYS 193 Cb 0.64 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.26 3i54 h LYS 193 CO -0.47 0.98 -0.45 0.00 -2.06 0.00 0.00 179.45 177.44 3i54 h ALA 194 N 1.01 0.70 0.17 3.86 0.00 -0.78 -2.50 119.26 121.71 3i54 h ALA 194 Ca 0.09 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3i54 h ALA 194 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i54 h ALA 194 CO 0.06 0.67 -0.08 -0.07 0.00 0.00 0.00 179.25 179.83 3i54 h LEU 195 N 0.56 -0.19 -1.90 0.00 3.38 -0.52 -0.37 115.31 116.26 3i54 h LEU 195 Ca 0.04 -0.21 0.21 0.00 0.09 0.00 0.00 57.88 58.01 3i54 h LEU 195 Cb 1.00 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3i54 h LEU 195 CO 0.09 0.11 0.63 0.00 0.09 0.00 0.00 178.44 179.36 3i54 h ALA 196 N 0.26 2.56 -0.00 1.53 0.00 -0.90 -2.24 119.26 120.46 3i54 h ALA 196 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3i54 h ALA 196 Cb 0.39 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3i54 h ALA 196 CO 0.04 -1.00 -0.05 0.22 0.00 0.00 0.00 179.25 178.46 3i54 h ASP 197 N 0.00 0.05 -0.01 0.00 1.82 -0.90 -2.55 116.42 114.83 3i54 h ASP 197 Ca 0.34 -0.74 -0.03 0.00 -0.39 0.00 0.00 57.03 56.21 3i54 h ASP 197 Cb 1.59 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.58 3i54 h ASP 197 CO -0.00 0.79 -0.05 -0.26 -1.61 0.00 0.00 179.24 178.10 3i54 h PHE 198 N -0.68 0.17 0.00 0.28 0.04 -0.66 -2.07 116.94 114.04 3i54 h PHE 198 Ca -0.01 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 3i54 h PHE 198 Cb 0.79 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 3i54 h PHE 198 CO 0.18 0.23 -0.51 0.00 -0.60 0.00 0.00 178.31 177.62 3i54 h ALA 199 N 1.78 0.80 0.21 2.45 0.00 -1.43 0.22 119.26 123.30 3i54 h ALA 199 Ca 0.04 -0.46 -0.34 0.00 0.00 0.00 0.00 54.91 54.14 3i54 h ALA 199 Cb 0.21 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.94 3i54 h ALA 199 CO 0.01 0.63 -1.64 1.25 0.00 0.00 0.00 179.25 179.50 3i54 h HIS 200 N 0.00 0.82 0.00 0.00 -0.00 -1.02 -3.11 115.15 111.84 3i54 h HIS 200 Ca -0.01 -0.60 -0.03 0.00 -0.00 0.00 0.00 60.37 59.74 3i54 h HIS 200 Cb 1.18 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.56 3i54 h HIS 200 CO 0.00 1.64 -0.12 0.00 -0.00 0.00 0.00 177.93 179.44 3i54 h ARG 201 N 0.11 0.00 0.00 5.26 3.08 -1.46 -3.48 114.38 117.90 3i54 h ARG 201 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3i54 h ARG 201 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.17 3i54 h ARG 201 CO 0.21 0.12 0.00 0.41 -1.07 0.00 0.00 179.97 179.65 3i54 n GLY 202 N -0.98 0.93 0.05 0.04 0.00 0.09 -4.98 105.19 100.34 3i54 n GLY 202 Ca -0.02 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.07 3i54 n GLY 202 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i54 n TRP 203 N -2.13 0.00 -3.81 1.61 8.01 0.56 -4.62 117.44 117.05 3i54 n TRP 203 Ca 0.00 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.07 3i54 n TRP 203 Cb 0.00 -0.29 -0.09 0.00 -2.01 0.00 0.00 31.31 28.92 3i54 n TRP 203 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.69 177.64 3i54 s ILE 204 N -2.72 0.08 -0.18 -0.99 -4.36 -1.18 -2.56 121.20 109.28 3i54 s ILE 204 Ca 0.22 -0.64 -0.03 0.00 -0.26 0.00 0.00 60.65 59.94 3i54 s ILE 204 Cb 0.19 -0.63 -0.01 0.00 1.25 0.00 0.00 42.46 43.27 3i54 s ILE 204 CO 0.53 -0.35 -0.07 -0.13 0.24 0.00 0.00 174.94 175.15 3i54 s ARG 205 N -1.65 3.41 -0.63 0.37 3.00 0.16 -4.04 118.95 119.57 3i54 s ARG 205 Ca -0.12 -0.63 -0.22 0.00 0.00 0.00 0.00 55.73 54.76 3i54 s ARG 205 Cb -0.05 -2.86 0.08 0.00 0.00 0.00 0.00 34.95 32.11 3i54 s ARG 205 CO 0.01 -0.00 0.89 -0.51 0.00 0.00 0.00 175.30 175.69 3i54 s LEU 206 N 0.95 4.64 -0.92 2.53 1.43 -1.26 -0.83 118.68 125.21 3i54 s LEU 206 Ca -0.01 -1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.01 3i54 s LEU 206 Cb -0.15 -2.41 0.28 0.00 0.03 0.00 0.00 46.19 43.95 3i54 s LEU 206 CO 0.00 -1.34 1.15 -0.62 0.23 0.00 0.00 176.35 175.77 3i54 n GLU 207 N 7.32 3.60 0.00 1.70 -0.58 -0.32 -5.00 120.64 127.36 3i54 n GLU 207 Ca -0.05 -4.58 0.00 0.00 -0.42 0.00 0.00 57.16 52.10 3i54 n GLU 207 Cb 0.45 -2.42 0.00 0.00 -0.57 0.00 0.00 31.44 28.90 3i54 n GLU 207 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i54 n GLY 208 N 1.33 0.65 0.72 0.62 0.00 -1.26 -2.08 105.19 105.17 3i54 n GLY 208 Ca 0.27 0.52 0.04 0.00 0.00 0.00 0.00 46.02 46.85 3i54 n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i54 n LYS 209 N 0.00 1.67 -3.89 1.61 5.02 -1.26 -4.89 118.16 116.42 3i54 n LYS 209 Ca 0.00 -3.31 -0.11 0.00 -2.02 0.00 0.00 58.31 52.87 3i54 n LYS 209 Cb 0.00 -1.66 -0.12 0.00 -0.02 0.00 0.00 35.03 33.23 3i54 n LYS 209 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3i54 s SER 210 N -3.14 0.03 -0.16 4.39 1.04 -0.88 -2.28 113.70 112.69 3i54 s SER 210 Ca 0.39 -0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.70 3i54 s SER 210 Cb 0.38 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 3i54 s SER 210 CO -0.06 -0.19 -0.12 -0.69 0.98 0.00 0.00 173.24 173.16 3i54 s VAL 211 N -0.73 2.97 -0.37 5.02 1.01 0.63 -1.18 120.40 127.76 3i54 s VAL 211 Ca -0.08 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 3i54 s VAL 211 Cb -0.05 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3i54 s VAL 211 CO 0.00 0.50 0.55 -1.48 0.00 0.00 0.00 175.10 174.68 3i54 s LEU 212 N 0.77 4.38 -0.66 3.92 -0.00 -0.01 -0.35 118.68 126.72 3i54 s LEU 212 Ca -0.05 -0.07 -0.17 0.00 -0.00 0.00 0.00 54.13 53.84 3i54 s LEU 212 Cb -0.15 -2.64 0.14 0.00 -0.00 0.00 0.00 46.19 43.54 3i54 s LEU 212 CO 0.01 -0.55 0.70 -0.63 -0.00 0.00 0.00 176.35 175.88 3i54 s ILE 213 N 2.51 5.10 0.32 1.48 1.01 0.18 0.37 121.20 132.17 3i54 s ILE 213 Ca 0.20 -1.53 0.03 0.00 0.00 0.00 0.00 60.65 59.35 3i54 s ILE 213 Cb -0.15 -4.47 0.13 0.00 0.01 0.00 0.00 42.46 37.98 3i54 s ILE 213 CO 0.14 -1.07 1.83 0.28 0.00 0.00 0.00 174.94 176.12 3i54 h SER 214 N 8.75 0.52 -3.39 3.58 0.02 -1.76 -2.61 113.55 118.67 3i54 h SER 214 Ca -0.16 -0.12 -0.61 0.00 -0.84 0.00 0.00 61.79 60.06 3i54 h SER 214 Cb 1.07 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 63.08 3i54 h SER 214 CO 1.01 0.63 -0.74 -0.62 -1.14 0.00 0.00 176.83 175.96 3i54 s ASP 215 N -6.74 4.15 0.11 3.07 -1.08 -1.18 -4.77 116.67 110.23 3i54 s ASP 215 Ca -0.08 -1.99 -0.14 0.00 -0.52 0.00 0.00 52.55 49.83 3i54 s ASP 215 Cb 0.15 -1.11 -0.08 0.00 -1.46 0.00 0.00 42.92 40.42 3i54 s ASP 215 CO 0.78 -0.37 1.43 0.77 0.52 0.00 0.00 175.17 178.29 3i54 h SER 216 N 7.68 0.79 0.14 -0.34 4.64 -1.86 -3.10 113.55 121.49 3i54 h SER 216 Ca -0.09 -0.47 0.01 0.00 -0.47 0.00 0.00 61.79 60.77 3i54 h SER 216 Cb 1.00 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 3i54 h SER 216 CO 0.49 1.10 -0.15 -0.33 -0.87 0.00 0.00 176.83 177.08 3i54 h GLU 217 N 0.50 -0.31 0.00 4.77 5.08 -1.98 0.52 114.58 123.17 3i54 h GLU 217 Ca 0.05 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3i54 h GLU 217 Cb 0.88 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3i54 h GLU 217 CO 0.08 -0.20 -0.27 0.00 -1.00 0.00 0.00 179.01 177.61 3i54 h ARG 218 N -0.32 0.00 0.03 2.33 -0.00 -1.99 0.50 114.38 114.93 3i54 h ARG 218 Ca 0.01 0.00 -0.14 0.00 -0.50 0.00 0.00 59.98 59.35 3i54 h ARG 218 Cb 0.31 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.29 3i54 h ARG 218 CO -0.05 0.27 -0.54 1.25 0.00 0.00 0.00 179.97 180.89 3i54 h LEU 219 N 0.00 0.44 -0.44 3.04 5.85 -1.44 -3.05 115.31 119.71 3i54 h LEU 219 Ca -0.00 -0.81 0.09 0.00 0.84 0.00 0.00 57.88 58.00 3i54 h LEU 219 Cb 0.74 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.54 3i54 h LEU 219 CO 0.03 1.19 -0.18 0.00 -0.34 0.00 0.00 178.44 179.14 3i54 h ALA 220 N 0.25 0.16 -0.67 1.25 0.00 0.36 -2.63 119.26 117.97 3i54 h ALA 220 Ca -0.08 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3i54 h ALA 220 Cb 1.30 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 3i54 h ALA 220 CO 0.11 -0.53 0.22 0.07 0.00 0.00 0.00 179.25 179.11 3i54 h ARG 221 N -0.09 1.02 0.00 0.00 -0.00 -1.03 -2.09 114.38 112.19 3i54 h ARG 221 Ca 0.21 -0.20 -0.00 0.00 -0.00 0.00 0.00 59.98 59.99 3i54 h ARG 221 Cb 0.42 -0.16 -0.00 0.00 -0.00 0.00 0.00 29.97 30.23 3i54 h ARG 221 CO -0.50 0.87 -0.02 0.07 -0.00 0.00 0.00 179.97 180.39 3i54 h ARG 222 N 0.99 0.00 -0.00 0.08 0.11 -1.36 -3.51 114.38 110.69 3i54 h ARG 222 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 3i54 h ARG 222 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 3i54 h ARG 222 CO -0.01 0.02 0.00 0.00 0.10 0.00 0.00 179.97 180.08