#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h n ASN 3 N 0.00 0.00 -1.25 1.61 6.94 -1.26 -5.15 115.26 116.16 3i8h n ASN 3 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3i8h n ASN 3 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3i8h n ASN 3 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3i8h n LYS 4 N 0.00 -3.25 -2.67 -3.83 5.02 -1.26 -4.99 118.16 107.18 3i8h n LYS 4 Ca 0.00 2.41 -0.31 0.00 -2.02 0.00 0.00 58.31 58.38 3i8h n LYS 4 Cb 0.00 -2.54 -0.03 0.00 -0.02 0.00 0.00 35.03 32.43 3i8h n LYS 4 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3i8h s ILE 5 N -1.12 4.68 -0.12 -0.18 -0.00 -1.26 -4.99 121.20 118.21 3i8h s ILE 5 Ca 0.00 0.88 -0.29 0.00 -0.00 0.00 0.00 60.65 61.24 3i8h s ILE 5 Cb 0.00 -3.72 -0.05 0.00 -0.00 0.00 0.00 42.46 38.68 3i8h s ILE 5 CO 0.00 -0.58 1.81 -2.28 -0.00 0.00 0.00 174.94 173.89 3i8h s HIS 6 N -2.47 1.72 0.31 1.37 5.65 -1.26 -4.89 115.29 115.73 3i8h s HIS 6 Ca 0.55 0.21 0.09 0.00 0.25 0.00 0.00 55.06 56.15 3i8h s HIS 6 Cb -0.10 -4.02 0.86 0.00 -1.18 0.00 0.00 32.58 28.14 3i8h s HIS 6 CO 0.31 -3.99 1.73 -1.00 -0.65 0.00 0.00 174.74 171.14 3i8h h PRO 7 N 11.11 0.57 0.29 2.88 0.13 -1.94 0.30 132.00 145.35 3i8h h PRO 7 Ca -0.40 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3i8h h PRO 7 Cb 1.19 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3i8h h PRO 7 CO 0.97 0.38 -0.14 0.82 -0.23 0.00 0.00 178.00 179.80 3i8h h ILE 8 N 0.59 0.00 -0.97 -3.56 1.08 -1.90 -1.32 117.51 111.43 3i8h h ILE 8 Ca 0.63 -0.01 0.24 0.00 -0.39 0.00 0.00 64.86 65.34 3i8h h ILE 8 Cb 1.18 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.86 3i8h h ILE 8 CO -0.47 0.00 0.65 1.23 -0.69 0.00 0.00 178.15 178.87 3i8h h GLY 9 N -0.40 0.80 1.00 5.37 0.00 -1.81 0.49 103.07 108.53 3i8h h GLY 9 Ca -0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3i8h h GLY 9 CO 0.07 -0.05 -0.37 -2.75 0.00 0.00 0.00 176.54 173.43 3i8h h PHE 10 N 0.31 -0.97 0.74 5.60 3.57 -0.19 -3.29 116.94 122.71 3i8h h PHE 10 Ca 0.52 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.96 3i8h h PHE 10 Cb 1.45 0.32 0.01 0.00 2.79 0.00 0.00 35.95 40.52 3i8h h PHE 10 CO -0.00 -0.60 -0.35 0.00 -2.23 0.00 0.00 178.31 175.12 3i8h h ARG 11 N -1.07 -0.95 0.00 1.11 2.47 -0.04 -3.42 114.38 112.49 3i8h h ARG 11 Ca -0.11 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3i8h h ARG 11 Cb 0.81 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 3i8h h ARG 11 CO 0.18 -0.63 0.00 -0.11 0.56 0.00 0.00 179.97 179.96 3i8h n LEU 12 N -5.30 0.00 0.00 3.04 -0.00 0.16 0.58 117.00 115.48 3i8h n LEU 12 Ca -0.12 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 55.91 3i8h n LEU 12 Cb 0.39 0.00 0.14 0.00 -0.00 0.00 0.00 43.42 43.94 3i8h n LEU 12 CO 0.30 0.00 0.34 0.61 -0.00 0.00 0.00 177.39 178.63 3i8h n GLY 13 N 0.00 -0.39 3.54 -3.96 0.00 -1.26 -4.23 105.19 98.88 3i8h n GLY 13 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 3i8h n GLY 13 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i8h s ILE 14 N -2.00 0.00 0.00 -0.61 2.07 0.19 -4.99 121.20 115.87 3i8h s ILE 14 Ca 0.07 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 3i8h s ILE 14 Cb 0.03 -1.05 0.00 0.00 0.13 0.00 0.00 42.46 41.57 3i8h s ILE 14 CO 0.05 0.00 0.00 0.41 -1.91 0.00 0.00 174.94 173.49 3i8h n THR 15 N -0.22 0.00 -4.28 4.00 -1.04 -1.26 -4.50 114.28 106.98 3i8h n THR 15 Ca -0.06 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.77 3i8h n THR 15 Cb 0.61 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.97 3i8h n THR 15 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3i8h s ARG 16 N 0.00 0.67 0.29 -2.82 6.06 -1.26 -4.92 118.95 116.96 3i8h s ARG 16 Ca 0.00 -0.25 0.08 0.00 -2.50 0.00 0.00 55.73 53.06 3i8h s ARG 16 Cb 0.00 -0.65 -0.04 0.00 0.06 0.00 0.00 34.95 34.32 3i8h s ARG 16 CO 0.00 0.13 0.14 0.34 -2.50 0.00 0.00 175.30 173.41 3i8h s ASP 17 N -0.01 5.05 0.31 -2.12 3.68 -1.26 -3.83 116.67 118.49 3i8h s ASP 17 Ca 0.00 -0.50 -0.26 0.00 2.13 0.00 0.00 52.55 53.92 3i8h s ASP 17 Cb -0.05 -1.05 -0.14 0.00 -1.45 0.00 0.00 42.92 40.23 3i8h s ASP 17 CO -0.00 -0.13 0.78 0.79 0.13 0.00 0.00 175.17 176.74 3i8h n TRP 18 N -1.12 0.40 0.95 -5.34 8.01 -1.26 -4.84 117.44 114.23 3i8h n TRP 18 Ca -0.06 0.73 0.13 0.00 -1.31 0.00 0.00 57.50 56.99 3i8h n TRP 18 Cb 0.59 -2.11 0.48 0.00 -2.01 0.00 0.00 31.31 28.25 3i8h n TRP 18 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 3i8h n GLU 19 N 0.71 0.04 -3.36 -0.99 2.13 -1.26 -4.64 120.64 113.27 3i8h n GLU 19 Ca 0.12 0.02 -0.02 0.00 0.66 0.00 0.00 57.16 57.94 3i8h n GLU 19 Cb 0.33 -1.54 -0.04 0.00 0.27 0.00 0.00 31.44 30.46 3i8h n GLU 19 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i8h s SER 20 N -3.20 -0.78 -0.04 4.31 0.15 -1.26 -2.49 113.70 110.40 3i8h s SER 20 Ca 0.12 0.85 0.03 0.00 0.70 0.00 0.00 55.95 57.66 3i8h s SER 20 Cb 0.18 1.82 0.00 0.00 -1.71 0.00 0.00 66.02 66.31 3i8h s SER 20 CO 0.59 -0.26 -0.13 0.00 1.20 0.00 0.00 173.24 174.64 3i8h s ARG 21 N 2.75 1.44 0.00 5.44 3.03 -0.88 -4.96 118.95 125.78 3i8h s ARG 21 Ca 0.11 -0.46 0.00 0.00 2.03 0.00 0.00 55.73 57.41 3i8h s ARG 21 Cb -0.14 -1.27 0.00 0.00 -1.03 0.00 0.00 34.95 32.51 3i8h s ARG 21 CO -0.18 0.17 0.00 -2.67 -1.13 0.00 0.00 175.30 171.48 3i8h n TRP 22 N 3.28 0.00 -1.13 5.89 4.27 -1.26 -3.77 117.44 124.71 3i8h n TRP 22 Ca -0.19 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.13 3i8h n TRP 22 Cb 0.53 0.00 0.22 0.00 -1.36 0.00 0.00 31.31 30.70 3i8h n TRP 22 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 3i8h s TYR 23 N -0.58 1.08 0.00 -2.67 5.04 -1.26 -5.01 117.35 113.95 3i8h s TYR 23 Ca 0.00 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.29 3i8h s TYR 23 Cb 0.00 -3.40 0.00 0.00 0.35 0.00 0.00 41.96 38.91 3i8h s TYR 23 CO 0.00 -3.52 0.00 0.00 -1.34 0.00 0.00 175.55 170.69 3i8h n ALA 24 N -4.54 0.00 -0.86 3.97 0.00 -1.26 -4.99 120.51 112.83 3i8h n ALA 24 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 3i8h n ALA 24 Cb 0.59 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.24 3i8h n ALA 24 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i8h s GLY 25 N 0.00 1.57 0.00 0.00 0.00 -1.26 -4.51 107.32 103.12 3i8h s GLY 25 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.58 3i8h s GLY 25 CO 0.00 0.48 0.57 0.58 0.00 0.00 0.00 173.10 174.73 3i8h n LYS 26 N -4.50 0.07 0.08 2.90 2.85 -1.26 -2.05 118.16 116.25 3i8h n LYS 26 Ca 0.05 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.38 3i8h n LYS 26 Cb 0.55 -1.46 -0.02 0.00 -0.65 0.00 0.00 35.03 33.45 3i8h n LYS 26 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 3i8h h LYS 27 N 0.00 0.00 0.00 -1.58 1.79 -2.05 -3.43 116.57 111.30 3i8h h LYS 27 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3i8h h LYS 27 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3i8h h LYS 27 CO 0.00 0.11 -0.25 1.04 -1.08 0.00 0.00 179.45 179.27 3i8h n GLN 28 N -2.77 3.92 -0.24 3.15 6.02 -0.87 -4.86 117.38 121.73 3i8h n GLN 28 Ca -0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.02 3i8h n GLN 28 Cb 0.65 -0.62 0.12 0.00 1.02 0.00 0.00 30.24 31.41 3i8h n GLN 28 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3i8h n TYR 29 N -0.45 0.30 -0.07 1.08 -0.00 -0.95 0.75 117.16 117.81 3i8h n TYR 29 Ca 0.00 0.83 -0.08 0.00 -0.00 0.00 0.00 57.90 58.65 3i8h n TYR 29 Cb 0.02 -0.93 -0.02 0.00 -0.00 0.00 0.00 39.34 38.42 3i8h n TYR 29 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 3i8h h ARG 30 N 0.00 -0.25 -0.49 2.98 2.43 -1.88 0.54 114.38 117.72 3i8h h ARG 30 Ca 0.35 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3i8h h ARG 30 Cb 0.59 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 3i8h h ARG 30 CO -0.69 -0.16 0.32 0.45 -1.51 0.00 0.00 179.97 178.38 3i8h h HIS 31 N -0.26 0.61 -0.57 2.20 -0.00 -0.03 -1.85 115.15 115.27 3i8h h HIS 31 Ca 0.15 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.49 3i8h h HIS 31 Cb 0.49 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 3i8h h HIS 31 CO -0.44 0.39 0.18 -0.07 -0.00 0.00 0.00 177.93 177.99 3i8h h LEU 32 N 0.66 0.79 -0.65 2.43 3.38 -0.84 -1.97 115.31 119.11 3i8h h LEU 32 Ca 0.18 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3i8h h LEU 32 Cb -0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3i8h h LEU 32 CO -0.04 0.74 -0.02 0.25 0.09 0.00 0.00 178.44 179.47 3i8h h LEU 33 N 0.83 1.02 0.68 1.67 5.85 -0.51 -2.83 115.31 122.03 3i8h h LEU 33 Ca 0.19 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3i8h h LEU 33 Cb 0.24 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.00 3i8h h LEU 33 CO -0.01 1.08 -0.33 0.25 -0.34 0.00 0.00 178.44 179.09 3i8h h LEU 34 N 0.95 -0.77 -0.93 2.25 6.46 -0.92 -2.61 115.31 119.73 3i8h h LEU 34 Ca 0.17 -0.00 0.27 0.00 -0.12 0.00 0.00 57.88 58.19 3i8h h LEU 34 Cb 0.57 0.20 -0.15 0.00 -0.73 0.00 0.00 40.66 40.55 3i8h h LEU 34 CO 0.03 -0.47 0.30 -0.08 -0.62 0.00 0.00 178.44 177.61 3i8h h GLU 35 N -1.05 0.18 -0.38 1.25 4.81 -1.37 0.44 114.58 118.47 3i8h h GLU 35 Ca -0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3i8h h GLU 35 Cb 0.73 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3i8h h GLU 35 CO 0.15 0.12 0.24 -0.44 -0.73 0.00 0.00 179.01 178.35 3i8h h ASP 36 N 0.19 0.45 -0.43 1.04 3.45 -1.37 0.51 116.42 120.25 3i8h h ASP 36 Ca 0.62 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 58.04 3i8h h ASP 36 Cb 1.33 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.97 3i8h h ASP 36 CO -0.69 0.35 0.27 1.56 -1.57 0.00 0.00 179.24 179.16 3i8h h GLN 37 N 0.50 0.57 -0.77 3.56 1.08 0.15 0.34 115.11 120.54 3i8h h GLN 37 Ca 0.14 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 3i8h h GLN 37 Cb -0.02 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.25 3i8h h GLN 37 CO -0.03 0.40 0.40 0.00 -0.95 0.00 0.00 178.83 178.65 3i8h h ARG 38 N 0.57 1.08 0.33 1.46 3.08 -0.42 -0.98 114.38 119.49 3i8h h ARG 38 Ca 0.15 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3i8h h ARG 38 Cb -0.03 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.81 3i8h h ARG 38 CO -0.03 0.80 -0.16 0.82 -1.07 0.00 0.00 179.97 180.34 3i8h h ILE 39 N 1.08 0.00 -0.34 2.04 2.04 0.13 -2.21 117.51 120.25 3i8h h ILE 39 Ca 0.27 -0.01 0.10 0.00 1.00 0.00 0.00 64.86 66.21 3i8h h ILE 39 Cb 0.06 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 3i8h h ILE 39 CO -0.04 0.00 0.62 0.03 0.00 0.00 0.00 178.15 178.76 3i8h h ARG 40 N -0.45 0.00 0.00 2.37 3.08 -0.29 -2.34 114.38 116.75 3i8h h ARG 40 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3i8h h ARG 40 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3i8h h ARG 40 CO 0.07 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.38 3i8h n GLY 41 N -1.45 -2.90 0.51 0.04 0.00 -0.38 0.03 105.19 101.05 3i8h n GLY 41 Ca 0.06 0.09 0.33 0.00 0.00 0.00 0.00 46.02 46.50 3i8h n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i8h h LEU 42 N 0.00 0.04 0.21 0.99 5.85 -1.33 -1.71 115.31 119.36 3i8h h LEU 42 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3i8h h LEU 42 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3i8h h LEU 42 CO 0.00 0.01 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.94 3i8h h LEU 43 N 0.03 -0.24 -0.99 2.25 3.38 -1.33 -2.71 115.31 115.71 3i8h h LEU 43 Ca 0.53 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.80 3i8h h LEU 43 Cb 2.07 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 42.74 3i8h h LEU 43 CO -0.03 -0.04 0.55 -0.33 0.09 0.00 0.00 178.44 178.67 3i8h h GLU 44 N -0.53 0.40 0.00 1.13 4.39 0.17 0.23 114.58 120.36 3i8h h GLU 44 Ca -0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3i8h h GLU 44 Cb 0.22 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3i8h h GLU 44 CO 0.05 0.26 0.00 1.17 -1.16 0.00 0.00 179.01 179.33 3i8h n LYS 45 N -5.01 0.00 -0.08 2.33 4.81 -0.69 -3.48 118.16 116.05 3i8h n LYS 45 Ca 0.29 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.64 3i8h n LYS 45 Cb 0.87 -0.32 -0.03 0.00 0.02 0.00 0.00 35.03 35.57 3i8h n LYS 45 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3i8h h GLU 46 N 0.00 -0.30 -0.65 1.64 5.08 -1.51 -0.51 114.58 118.33 3i8h h GLU 46 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3i8h h GLU 46 Cb 0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3i8h h GLU 46 CO 0.00 -0.20 0.00 -0.11 -1.00 0.00 0.00 179.01 177.70 3i8h n LEU 47 N -5.41 0.65 0.12 1.33 7.94 0.80 -3.43 117.00 118.99 3i8h n LEU 47 Ca -0.01 -0.33 -0.20 0.00 -1.11 0.00 0.00 56.01 54.37 3i8h n LEU 47 Cb 0.34 -0.25 -0.15 0.00 0.53 0.00 0.00 43.42 43.89 3i8h n LEU 47 CO 0.10 0.14 -0.16 0.22 -1.11 0.00 0.00 177.39 176.58 3i8h h TYR 48 N 0.58 0.70 -0.90 1.96 3.20 -1.12 -3.35 116.97 118.04 3i8h h TYR 48 Ca 0.00 -0.51 0.24 0.00 3.14 0.00 0.00 58.73 61.60 3i8h h TYR 48 Cb 0.29 -0.03 -0.16 0.00 1.54 0.00 0.00 36.73 38.37 3i8h h TYR 48 CO 0.00 1.42 0.08 0.77 -1.64 0.00 0.00 178.16 178.79 3i8h h SER 49 N 0.10 -0.31 0.53 -2.11 0.02 -1.78 2.00 113.55 112.02 3i8h h SER 49 Ca -0.20 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3i8h h SER 49 Cb 2.06 0.39 0.00 0.00 0.14 0.00 0.00 62.40 64.99 3i8h h SER 49 CO 0.23 -0.26 0.00 0.00 -1.14 0.00 0.00 176.83 175.66 3i8h n ALA 50 N -2.96 1.56 -2.32 3.77 0.00 -1.26 -4.91 120.51 114.40 3i8h n ALA 50 Ca 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 3i8h n ALA 50 Cb 0.68 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3i8h n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8h n GLY 51 N -0.21 -0.94 3.92 0.00 0.00 0.68 -3.34 105.19 105.30 3i8h n GLY 51 Ca 0.02 0.42 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 3i8h n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i8h s LEU 52 N -2.51 2.70 0.00 0.99 2.34 -1.26 -3.45 118.68 117.50 3i8h s LEU 52 Ca 0.07 0.55 0.00 0.00 0.06 0.00 0.00 54.13 54.81 3i8h s LEU 52 Cb -0.02 -3.12 0.00 0.00 -0.56 0.00 0.00 46.19 42.49 3i8h s LEU 52 CO 0.43 -1.75 0.00 0.00 -1.06 0.00 0.00 176.35 173.97 3i8h n ALA 53 N -3.09 0.02 -3.40 1.48 0.00 -0.50 -4.78 120.51 110.25 3i8h n ALA 53 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.37 3i8h n ALA 53 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.01 3i8h n ALA 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i8h s ARG 54 N -0.01 1.08 -0.37 0.00 3.52 -1.22 -4.92 118.95 117.03 3i8h s ARG 54 Ca 0.00 -0.10 0.02 0.00 -0.13 0.00 0.00 55.73 55.51 3i8h s ARG 54 Cb 0.00 0.50 0.15 0.00 -1.56 0.00 0.00 34.95 34.04 3i8h s ARG 54 CO 0.00 -0.39 0.27 0.08 -0.81 0.00 0.00 175.30 174.45 3i8h s VAL 55 N -2.22 0.14 0.06 7.11 1.01 -1.26 -1.94 120.40 123.30 3i8h s VAL 55 Ca -0.06 -1.93 -0.28 0.00 0.00 0.00 0.00 61.98 59.71 3i8h s VAL 55 Cb -0.01 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3i8h s VAL 55 CO 0.00 -1.02 0.88 -0.62 0.00 0.00 0.00 175.10 174.34 3i8h s ASP 56 N 0.79 7.34 0.01 3.32 3.68 -0.50 -4.74 116.67 126.57 3i8h s ASP 56 Ca 0.23 1.61 0.05 0.00 2.13 0.00 0.00 52.55 56.57 3i8h s ASP 56 Cb -0.14 -2.53 -0.02 0.00 -1.45 0.00 0.00 42.92 38.78 3i8h s ASP 56 CO -0.06 -0.07 -0.16 -0.63 0.13 0.00 0.00 175.17 174.38 3i8h s ILE 57 N 0.18 1.27 0.03 4.11 1.01 -1.04 0.37 121.20 127.14 3i8h s ILE 57 Ca 0.44 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3i8h s ILE 57 Cb -0.22 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 3i8h s ILE 57 CO 0.26 0.24 -0.06 -1.61 0.00 0.00 0.00 174.94 173.77 3i8h s GLU 58 N -0.69 0.46 -0.04 2.79 2.02 -1.26 -2.06 118.70 119.91 3i8h s GLU 58 Ca 0.05 -0.66 -0.06 0.00 0.02 0.00 0.00 54.97 54.33 3i8h s GLU 58 Cb -0.07 -0.21 0.01 0.00 0.10 0.00 0.00 34.13 33.97 3i8h s GLU 58 CO 0.00 0.03 0.15 1.03 0.02 0.00 0.00 175.26 176.49 3i8h s ARG 59 N -1.38 0.24 0.00 1.61 0.52 -1.25 0.08 118.95 118.77 3i8h s ARG 59 Ca -0.10 0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 3i8h s ARG 59 Cb -0.09 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.49 3i8h s ARG 59 CO 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 175.30 175.28 3i8h n ALA 60 N 2.67 0.67 0.00 2.13 0.00 -1.26 -4.60 120.51 120.12 3i8h n ALA 60 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3i8h n ALA 60 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3i8h n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8h n ALA 61 N -0.43 0.00 -3.79 0.00 0.00 -1.26 -4.99 120.51 110.04 3i8h n ALA 61 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3i8h n ALA 61 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 3i8h n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i8h n ASP 62 N 0.00 -0.31 -3.95 0.00 9.92 -1.26 -4.86 116.55 116.09 3i8h n ASP 62 Ca 0.00 -0.87 -0.08 0.00 -0.53 0.00 0.00 54.79 53.31 3i8h n ASP 62 Cb 0.00 -1.06 -0.04 0.00 -0.64 0.00 0.00 41.12 39.37 3i8h n ASP 62 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3i8h s ASN 63 N -3.96 -0.15 -0.28 -2.24 4.22 -1.26 -3.99 114.94 107.29 3i8h s ASN 63 Ca 0.09 -0.81 -0.09 0.00 -2.14 0.00 0.00 52.86 49.92 3i8h s ASN 63 Cb -0.05 0.63 0.12 0.00 1.28 0.00 0.00 41.25 43.24 3i8h s ASN 63 CO 0.67 -1.21 0.59 -0.69 -2.04 0.00 0.00 177.10 174.42 3i8h s VAL 64 N -3.98 -0.92 -0.65 3.54 1.01 -1.22 -4.53 120.40 113.65 3i8h s VAL 64 Ca 0.18 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 3i8h s VAL 64 Cb -0.02 -0.92 0.24 0.00 0.00 0.00 0.00 36.38 35.67 3i8h s VAL 64 CO 0.08 0.01 2.33 0.00 0.00 0.00 0.00 175.10 177.52 3i8h n ALA 65 N 5.43 6.42 -1.53 5.51 0.00 0.11 -2.10 120.51 134.35 3i8h n ALA 65 Ca -0.11 -3.53 -0.33 0.00 0.00 0.00 0.00 53.44 49.48 3i8h n ALA 65 Cb 0.49 -2.01 -0.09 0.00 0.00 0.00 0.00 19.45 17.84 3i8h n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i8h n VAL 66 N 0.04 -0.04 -3.43 0.00 0.31 -1.04 -4.04 118.33 110.13 3i8h n VAL 66 Ca 0.51 -0.49 -0.44 0.00 -0.01 0.00 0.00 64.34 63.92 3i8h n VAL 66 Cb 0.41 -1.72 -0.09 0.00 -0.91 0.00 0.00 33.84 31.53 3i8h n VAL 66 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i8h s THR 67 N 10.48 5.21 -0.05 2.52 2.01 0.16 -1.45 115.64 134.51 3i8h s THR 67 Ca 1.12 -0.87 -0.18 0.00 0.31 0.00 0.00 61.69 62.07 3i8h s THR 67 Cb -0.56 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 67.89 3i8h s THR 67 CO 0.33 -0.44 0.51 -0.69 -0.69 0.00 0.00 174.62 173.65 3i8h s VAL 68 N 1.65 5.05 -0.18 3.82 1.01 -1.20 -1.41 120.40 129.15 3i8h s VAL 68 Ca 0.04 1.04 -0.02 0.00 0.00 0.00 0.00 61.98 63.05 3i8h s VAL 68 Cb -0.22 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3i8h s VAL 68 CO 0.08 0.41 -0.09 -1.00 0.00 0.00 0.00 175.10 174.50 3i8h s HIS 69 N 0.01 2.90 0.26 5.22 3.76 -0.82 -0.35 115.29 126.27 3i8h s HIS 69 Ca 0.27 -0.89 0.01 0.00 -0.15 0.00 0.00 55.06 54.31 3i8h s HIS 69 Cb -0.17 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.48 3i8h s HIS 69 CO 0.13 -0.45 0.09 0.08 -0.85 0.00 0.00 174.74 173.75 3i8h s VAL 70 N 1.06 0.57 -0.54 -0.90 1.01 0.15 -1.41 120.40 120.34 3i8h s VAL 70 Ca 0.00 -2.00 0.18 0.00 0.00 0.00 0.00 61.98 60.16 3i8h s VAL 70 Cb -0.15 -2.62 -0.23 0.00 0.00 0.00 0.00 36.38 33.38 3i8h s VAL 70 CO -0.01 -0.02 0.63 0.00 0.00 0.00 0.00 175.10 175.70 3i8h n ALA 71 N -0.46 3.73 -3.08 5.51 0.00 -1.22 -1.94 120.51 123.04 3i8h n ALA 71 Ca -0.00 -0.49 -0.25 0.00 0.00 0.00 0.00 53.44 52.70 3i8h n ALA 71 Cb 0.66 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 3i8h n ALA 71 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i8h n LYS 72 N -1.70 2.58 0.10 0.00 5.02 -1.21 -4.74 118.16 118.21 3i8h n LYS 72 Ca 0.01 -4.48 0.20 0.00 -2.02 0.00 0.00 58.31 52.02 3i8h n LYS 72 Cb 0.36 -2.09 0.75 0.00 -0.02 0.00 0.00 35.03 34.02 3i8h n LYS 72 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3i8h h PRO 73 N 3.23 0.00 -0.04 1.97 0.13 -1.88 -2.16 132.00 133.26 3i8h h PRO 73 Ca 0.13 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.27 3i8h h PRO 73 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 3i8h h PRO 73 CO 0.75 0.00 -0.11 0.78 -0.23 0.00 0.00 178.00 179.19 3i8h h GLY 74 N 0.00 -1.57 -0.79 1.56 0.00 -1.98 -2.74 103.07 97.56 3i8h h GLY 74 Ca 0.19 0.72 0.15 0.00 0.00 0.00 0.00 47.33 48.39 3i8h h GLY 74 CO -0.00 -0.55 -0.32 -2.08 0.00 0.00 0.00 176.54 173.58 3i8h h VAL 75 N -0.10 0.08 -0.93 4.60 2.07 -1.79 -1.02 116.25 119.16 3i8h h VAL 75 Ca 0.01 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.72 3i8h h VAL 75 Cb 0.13 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 29.90 3i8h h VAL 75 CO -0.09 0.00 0.60 -0.37 0.02 0.00 0.00 177.57 177.73 3i8h h VAL 76 N -0.04 0.70 0.23 2.57 -1.51 -1.56 -2.69 116.25 113.95 3i8h h VAL 76 Ca 0.35 -0.18 -0.32 0.00 -1.23 0.00 0.00 66.70 65.31 3i8h h VAL 76 Cb 0.60 0.13 0.03 0.00 -2.13 0.00 0.00 31.29 29.92 3i8h h VAL 76 CO -0.89 0.10 -1.43 0.40 -1.23 0.00 0.00 177.57 174.51 3i8h h ILE 77 N 0.53 1.33 -3.24 7.19 2.04 -0.99 -1.57 117.51 122.80 3i8h h ILE 77 Ca 0.50 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 63.57 3i8h h ILE 77 Cb 1.06 3.03 -0.02 0.00 -0.74 0.00 0.00 36.82 40.15 3i8h h ILE 77 CO -0.23 0.83 -0.19 0.61 0.00 0.00 0.00 178.15 179.17 3i8h n GLY 78 N 1.68 -3.22 0.00 5.37 0.00 -1.02 0.27 105.19 108.27 3i8h n GLY 78 Ca -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3i8h n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i8h n ARG 79 N 0.20 0.00 0.00 1.61 1.85 -1.26 0.13 116.66 119.19 3i8h n ARG 79 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 3i8h n ARG 79 Cb 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.49 3i8h n ARG 79 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i8h n GLY 80 N 0.22 1.67 0.00 2.89 0.00 -1.26 -3.19 105.19 105.51 3i8h n GLY 80 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i8h n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8h n GLY 81 N 0.00 0.00 0.12 -0.02 0.00 -0.03 -5.06 105.19 100.20 3i8h n GLY 81 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3i8h n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8h n GLU 82 N 0.00 0.61 0.00 1.61 -0.58 0.35 -4.18 120.64 118.45 3i8h n GLU 82 Ca 0.00 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 3i8h n GLU 82 Cb 0.00 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 3i8h n GLU 82 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3i8h n ARG 83 N -4.14 0.00 0.23 3.49 3.00 0.14 -1.07 116.66 118.31 3i8h n ARG 83 Ca -0.38 0.40 0.03 0.00 -0.00 0.00 0.00 57.85 57.91 3i8h n ARG 83 Cb 0.81 -1.29 0.17 0.00 0.00 0.00 0.00 32.46 32.15 3i8h n ARG 83 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 3i8h h ILE 84 N 0.00 0.00 0.00 5.15 2.10 0.79 0.40 117.51 125.95 3i8h h ILE 84 Ca 0.00 0.00 -0.10 0.00 1.08 0.00 0.00 64.86 65.84 3i8h h ILE 84 Cb 0.00 0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 35.85 3i8h h ILE 84 CO 0.00 0.00 -0.67 -0.09 -1.08 0.00 0.00 178.15 176.31 3i8h h ARG 85 N 0.00 0.00 0.00 2.19 9.65 -1.68 -2.00 114.38 122.55 3i8h h ARG 85 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i8h h ARG 85 Cb 1.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.95 3i8h h ARG 85 CO 0.00 0.61 0.00 -0.39 2.80 0.00 0.00 179.97 182.99 3i8h h VAL 86 N -1.00 0.00 0.03 0.20 -1.51 0.14 -2.22 116.25 111.89 3i8h h VAL 86 Ca -0.15 -0.04 -0.33 0.00 -1.23 0.00 0.00 66.70 64.95 3i8h h VAL 86 Cb 0.87 0.83 -0.04 0.00 -2.13 0.00 0.00 31.29 30.82 3i8h h VAL 86 CO -0.09 0.00 -1.86 0.18 -1.23 0.00 0.00 177.57 174.57 3i8h n LEU 87 N -2.72 2.22 0.20 4.19 4.77 -0.22 -2.93 117.00 122.51 3i8h n LEU 87 Ca -0.02 0.28 0.18 0.00 -0.03 0.00 0.00 56.01 56.42 3i8h n LEU 87 Cb 0.08 -0.97 0.77 0.00 -2.33 0.00 0.00 43.42 40.96 3i8h n LEU 87 CO 0.16 0.57 1.16 0.03 -1.33 0.00 0.00 177.39 177.98 3i8h h ARG 88 N -0.60 0.00 0.11 3.23 3.08 -1.01 -0.74 114.38 118.47 3i8h h ARG 88 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 3i8h h ARG 88 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.68 3i8h h ARG 88 CO -0.16 0.00 -0.06 1.49 -1.07 0.00 0.00 179.97 180.17 3i8h h GLU 89 N 0.00 -0.15 -1.11 0.04 4.57 -1.52 -3.27 114.58 113.14 3i8h h GLU 89 Ca 0.11 0.01 0.33 0.00 -1.18 0.00 0.00 59.36 58.63 3i8h h GLU 89 Cb 0.91 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.42 3i8h h GLU 89 CO -0.00 -0.10 0.70 0.93 -1.18 0.00 0.00 179.01 179.35 3i8h h GLU 90 N -0.45 0.29 0.00 1.92 4.39 -1.07 0.47 114.58 120.13 3i8h h GLU 90 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3i8h h GLU 90 Cb 0.12 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3i8h h GLU 90 CO 0.03 0.19 0.00 1.28 -1.16 0.00 0.00 179.01 179.35 3i8h n LEU 91 N -4.76 0.00 0.12 1.33 4.77 -0.42 -2.46 117.00 115.59 3i8h n LEU 91 Ca 0.30 0.98 0.18 0.00 -0.03 0.00 0.00 56.01 57.45 3i8h n LEU 91 Cb 1.05 -0.48 0.76 0.00 -2.33 0.00 0.00 43.42 42.42 3i8h n LEU 91 CO 0.20 -0.48 1.16 0.00 -1.33 0.00 0.00 177.39 176.94 3i8h h ALA 92 N -1.84 2.10 -0.14 -1.18 0.00 -1.43 -0.72 119.26 116.04 3i8h h ALA 92 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3i8h h ALA 92 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3i8h h ALA 92 CO 0.00 -0.47 0.24 -0.22 0.00 0.00 0.00 179.25 178.79 3i8h h LYS 93 N 0.00 0.00 0.00 0.00 3.64 -0.59 -2.06 116.57 117.56 3i8h h LYS 93 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3i8h h LYS 93 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3i8h h LYS 93 CO -0.00 0.00 -0.76 1.47 -2.27 0.00 0.00 179.45 177.88 3i8h n LEU 94 N -3.47 0.01 -4.50 5.20 -0.00 -0.40 -4.94 117.00 108.89 3i8h n LEU 94 Ca 0.01 -0.13 -0.42 0.00 -0.00 0.00 0.00 56.01 55.46 3i8h n LEU 94 Cb 0.34 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.67 3i8h n LEU 94 CO 0.23 0.00 0.12 -0.89 -0.00 0.00 0.00 177.39 176.85 3i8h s THR 95 N -1.78 5.08 0.00 1.47 2.01 -0.48 -4.93 115.64 117.02 3i8h s THR 95 Ca -0.00 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.79 3i8h s THR 95 Cb 0.00 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3i8h s THR 95 CO 0.02 -0.36 0.23 0.61 -0.69 0.00 0.00 174.62 174.43 3i8h n GLY 96 N 5.06 0.51 3.26 4.40 0.00 -1.26 -4.51 105.19 112.64 3i8h n GLY 96 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 3i8h n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8h s LYS 97 N 1.05 0.96 0.04 1.61 1.02 -1.26 -5.05 119.74 118.11 3i8h s LYS 97 Ca 0.00 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 3i8h s LYS 97 Cb 0.00 0.38 -0.08 0.00 -0.52 0.00 0.00 37.83 37.62 3i8h s LYS 97 CO 0.00 -0.33 1.68 -0.80 -0.92 0.00 0.00 175.35 174.98 3i8h s ASN 98 N -2.86 6.60 -0.37 2.83 0.01 -1.26 -4.60 114.94 115.30 3i8h s ASN 98 Ca 0.06 2.45 -0.08 0.00 -0.71 0.00 0.00 52.86 54.58 3i8h s ASN 98 Cb 0.04 -2.55 0.05 0.00 0.41 0.00 0.00 41.25 39.20 3i8h s ASN 98 CO -0.10 -0.91 0.17 0.68 -1.51 0.00 0.00 177.10 175.44 3i8h s VAL 99 N 3.11 4.00 -0.10 1.60 -7.23 -1.26 -3.43 120.40 117.08 3i8h s VAL 99 Ca 0.75 -1.24 -0.24 0.00 -1.81 0.00 0.00 61.98 59.44 3i8h s VAL 99 Cb -0.39 -3.35 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 3i8h s VAL 99 CO 0.32 -0.32 0.73 0.00 -0.31 0.00 0.00 175.10 175.52 3i8h s ALA 100 N 1.41 3.39 -0.02 1.32 0.00 -0.89 -4.89 121.76 122.08 3i8h s ALA 100 Ca 0.01 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.12 3i8h s ALA 100 Cb -0.21 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 3i8h s ALA 100 CO 0.03 -0.27 -0.24 -1.17 0.00 0.00 0.00 175.76 174.10 3i8h s LEU 101 N 1.22 2.18 0.00 0.00 0.20 -1.26 -2.50 118.68 118.52 3i8h s LEU 101 Ca 0.37 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.76 3i8h s LEU 101 Cb -0.17 -1.37 -0.00 0.00 -0.43 0.00 0.00 46.19 44.21 3i8h s LEU 101 CO 0.16 0.32 0.02 0.59 -0.29 0.00 0.00 176.35 177.16 3i8h n ASN 102 N 2.36 2.98 -3.40 3.68 3.02 -0.53 -5.01 115.26 118.36 3i8h n ASN 102 Ca -0.16 -3.12 -0.13 0.00 -0.03 0.00 0.00 54.58 51.14 3i8h n ASN 102 Cb 0.51 0.45 -0.10 0.00 -0.61 0.00 0.00 39.78 40.04 3i8h n ASN 102 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i8h s VAL 103 N -2.80 -0.49 -0.21 2.41 1.01 -1.25 -3.21 120.40 115.86 3i8h s VAL 103 Ca 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 3i8h s VAL 103 Cb 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3i8h s VAL 103 CO 0.02 -0.21 -0.01 -1.10 0.00 0.00 0.00 175.10 173.80 3i8h s GLN 104 N 2.45 3.50 0.00 2.72 -1.52 0.53 -5.00 119.66 122.34 3i8h s GLN 104 Ca 0.10 -0.57 0.00 0.00 -1.95 0.00 0.00 55.36 52.94 3i8h s GLN 104 Cb -0.15 -3.06 0.00 0.00 -0.22 0.00 0.00 33.01 29.57 3i8h s GLN 104 CO -0.18 -0.11 0.00 -1.91 -0.25 0.00 0.00 175.29 172.84 3i8h n GLU 105 N 4.57 -0.04 -3.47 2.91 2.13 -1.25 0.34 120.64 125.83 3i8h n GLU 105 Ca -0.17 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.48 3i8h n GLU 105 Cb 0.51 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.10 3i8h n GLU 105 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i8h s VAL 106 N -0.55 -0.37 0.00 6.31 1.01 -0.82 -4.40 120.40 121.58 3i8h s VAL 106 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3i8h s VAL 106 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.68 3i8h s VAL 106 CO 0.00 -0.19 0.13 0.00 0.00 0.00 0.00 175.10 175.04 3i8h n GLN 107 N 5.33 0.00 -3.81 2.72 3.00 -1.26 -3.68 117.38 119.68 3i8h n GLN 107 Ca -0.05 0.13 -0.28 0.00 -0.01 0.00 0.00 57.00 56.79 3i8h n GLN 107 Cb 0.50 -0.21 -0.16 0.00 0.00 0.00 0.00 30.24 30.37 3i8h n GLN 107 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3i8h s ASN 108 N -2.15 3.10 0.40 1.08 3.84 -1.26 -5.01 114.94 114.94 3i8h s ASN 108 Ca 0.00 -0.87 0.08 0.00 0.21 0.00 0.00 52.86 52.28 3i8h s ASN 108 Cb 0.00 -0.78 0.86 0.00 -0.55 0.00 0.00 41.25 40.77 3i8h s ASN 108 CO 0.00 -0.27 2.02 1.55 -2.79 0.00 0.00 177.10 177.61 3i8h h PRO 109 N 8.15 0.57 0.00 0.43 0.13 -1.96 -1.56 132.00 137.76 3i8h h PRO 109 Ca -0.18 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3i8h h PRO 109 Cb 1.11 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3i8h h PRO 109 CO 0.36 0.38 0.00 0.09 -0.23 0.00 0.00 178.00 178.60 3i8h n ASN 110 N -4.47 0.00 -0.20 1.44 3.02 -1.26 0.13 115.26 113.92 3i8h n ASN 110 Ca 0.06 -0.24 0.06 0.00 -0.03 0.00 0.00 54.58 54.44 3i8h n ASN 110 Cb 0.16 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.42 3i8h n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i8h n LEU 111 N -0.64 1.57 -4.14 3.41 4.77 -0.59 -4.37 117.00 117.01 3i8h n LEU 111 Ca 0.01 -2.35 -0.38 0.00 -0.03 0.00 0.00 56.01 53.26 3i8h n LEU 111 Cb 0.00 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 40.72 3i8h n LEU 111 CO 0.01 0.55 -0.01 -0.55 -1.33 0.00 0.00 177.39 176.05 3i8h s SER 112 N -2.19 5.41 0.17 -1.43 0.15 0.12 -4.97 113.70 110.96 3i8h s SER 112 Ca 0.20 -2.44 -0.21 0.00 0.70 0.00 0.00 55.95 54.20 3i8h s SER 112 Cb 0.18 -1.89 0.07 0.00 -1.71 0.00 0.00 66.02 62.67 3i8h s SER 112 CO 0.02 -0.49 1.33 0.00 1.20 0.00 0.00 173.24 175.30 3i8h n ALA 113 N 4.08 -0.33 -0.27 5.45 0.00 -1.26 0.46 120.51 128.65 3i8h n ALA 113 Ca 0.03 0.79 0.08 0.00 0.00 0.00 0.00 53.44 54.34 3i8h n ALA 113 Cb 0.40 -0.25 0.22 0.00 0.00 0.00 0.00 19.45 19.82 3i8h n ALA 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3i8h h PRO 114 N 0.00 0.28 -0.21 0.00 0.11 -1.88 0.48 132.00 130.78 3i8h h PRO 114 Ca 0.22 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.15 3i8h h PRO 114 Cb 0.43 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3i8h h PRO 114 CO -0.83 0.19 -0.52 -0.07 -0.21 0.00 0.00 178.00 176.55 3i8h h LEU 115 N 0.29 0.66 -0.22 2.35 3.38 -0.29 -1.81 115.31 119.67 3i8h h LEU 115 Ca 0.46 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3i8h h LEU 115 Cb 0.83 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3i8h h LEU 115 CO -0.53 1.06 -0.03 0.58 0.09 0.00 0.00 178.44 179.61 3i8h h VAL 116 N 0.47 0.80 0.00 1.22 2.07 0.10 0.51 116.25 121.42 3i8h h VAL 116 Ca 0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3i8h h VAL 116 Cb 1.07 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3i8h h VAL 116 CO 0.10 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.70 3i8h n ALA 117 N -2.40 -0.05 -0.30 1.67 0.00 -0.06 -1.31 120.51 118.06 3i8h n ALA 117 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 3i8h n ALA 117 Cb 0.13 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 3i8h n ALA 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i8h n GLN 118 N -1.04 -0.27 -0.22 0.00 6.02 -0.70 0.37 117.38 121.54 3i8h n GLN 118 Ca 0.00 1.10 -0.06 0.00 -0.01 0.00 0.00 57.00 58.04 3i8h n GLN 118 Cb 0.00 -1.63 -0.05 0.00 1.02 0.00 0.00 30.24 29.58 3i8h n GLN 118 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3i8h n ARG 119 N -4.96 -0.23 0.08 -1.09 0.63 0.18 -0.01 116.66 111.26 3i8h n ARG 119 Ca 0.03 1.04 -0.12 0.00 -0.92 0.00 0.00 57.85 57.88 3i8h n ARG 119 Cb 0.22 -1.53 -0.06 0.00 0.45 0.00 0.00 32.46 31.55 3i8h n ARG 119 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3i8h h VAL 120 N 0.00 0.71 -0.99 5.15 2.07 0.12 -2.41 116.25 120.90 3i8h h VAL 120 Ca 0.08 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.95 3i8h h VAL 120 Cb 0.21 0.71 -0.16 0.00 -1.52 0.00 0.00 31.29 30.53 3i8h h VAL 120 CO -0.48 0.00 0.50 0.00 0.02 0.00 0.00 177.57 177.61 3i8h h ALA 121 N 0.66 1.93 0.08 1.67 0.00 0.17 0.43 119.26 124.20 3i8h h ALA 121 Ca 0.02 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3i8h h ALA 121 Cb 0.26 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i8h h ALA 121 CO -0.08 -0.70 -0.04 1.49 0.00 0.00 0.00 179.25 179.92 3i8h h GLU 122 N 0.18 -0.11 -0.64 0.00 4.81 -0.51 -2.12 114.58 116.20 3i8h h GLU 122 Ca 0.75 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 60.17 3i8h h GLU 122 Cb 1.81 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.18 3i8h h GLU 122 CO -0.69 0.17 0.59 1.96 -0.73 0.00 0.00 179.01 180.32 3i8h h GLN 123 N -0.38 0.00 0.07 1.92 4.20 0.03 0.15 115.11 121.10 3i8h h GLN 123 Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3i8h h GLN 123 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3i8h h GLN 123 CO 0.02 0.00 -0.03 0.82 -0.67 0.00 0.00 178.83 178.97 3i8h h ILE 124 N 0.00 0.97 0.00 2.54 2.04 -0.88 -2.56 117.51 119.62 3i8h h ILE 124 Ca 0.30 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.66 3i8h h ILE 124 Cb 1.48 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 3i8h h ILE 124 CO -0.00 0.30 0.00 -0.62 0.00 0.00 0.00 178.15 177.83 3i8h n GLU 125 N -4.79 0.11 -0.40 2.37 1.02 -0.01 -1.12 120.64 117.82 3i8h n GLU 125 Ca -0.07 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.14 3i8h n GLU 125 Cb 0.27 -1.01 0.12 0.00 -0.02 0.00 0.00 31.44 30.81 3i8h n GLU 125 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i8h n ARG 126 N -0.51 1.03 -1.46 3.49 1.74 -0.88 -4.99 116.66 115.09 3i8h n ARG 126 Ca 0.00 -2.45 -0.16 0.00 -0.77 0.00 0.00 57.85 54.48 3i8h n ARG 126 Cb 0.00 -1.23 -0.07 0.00 -1.02 0.00 0.00 32.46 30.14 3i8h n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i8h n ARG 127 N -0.95 -1.41 -2.55 5.56 1.74 -0.27 -4.98 116.66 113.80 3i8h n ARG 127 Ca 0.13 1.05 -0.30 0.00 -0.77 0.00 0.00 57.85 57.95 3i8h n ARG 127 Cb 0.71 -5.36 -0.02 0.00 -1.02 0.00 0.00 32.46 26.77 3i8h n ARG 127 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i8h s PHE 128 N -2.43 3.51 0.10 -1.55 0.40 -0.97 -5.00 117.98 112.05 3i8h s PHE 128 Ca 0.00 1.15 -0.31 0.00 -0.60 0.00 0.00 56.93 57.17 3i8h s PHE 128 Cb 0.00 -2.55 -0.08 0.00 0.51 0.00 0.00 43.02 40.89 3i8h s PHE 128 CO 0.00 -0.29 1.54 0.00 0.70 0.00 0.00 175.22 177.17 3i8h s ALA 129 N -2.62 3.68 0.20 5.36 0.00 -1.26 -4.72 121.76 122.41 3i8h s ALA 129 Ca 0.53 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.68 3i8h s ALA 129 Cb -0.10 -3.62 0.15 0.00 0.00 0.00 0.00 23.12 19.54 3i8h s ALA 129 CO 0.37 -0.86 1.52 0.28 0.00 0.00 0.00 175.76 177.07 3i8h h VAL 130 N 4.43 1.33 -0.08 0.00 2.07 -1.94 -2.18 116.25 119.88 3i8h h VAL 130 Ca -0.42 -1.79 0.04 0.00 0.82 0.00 0.00 66.70 65.35 3i8h h VAL 130 Cb 1.20 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 32.70 3i8h h VAL 130 CO 0.91 0.55 -0.34 -0.09 0.02 0.00 0.00 177.57 178.62 3i8h h ARG 131 N 0.39 -0.43 0.26 1.57 2.43 -2.00 -1.99 114.38 114.61 3i8h h ARG 131 Ca 0.01 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3i8h h ARG 131 Cb 1.07 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 3i8h h ARG 131 CO 0.10 -0.29 -0.31 -0.09 -1.51 0.00 0.00 179.97 177.87 3i8h h ARG 132 N -0.45 -0.56 -0.25 0.20 2.43 -1.94 -3.01 114.38 110.81 3i8h h ARG 132 Ca 0.08 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3i8h h ARG 132 Cb 0.57 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 3i8h h ARG 132 CO -0.33 -0.37 -0.15 0.00 -1.51 0.00 0.00 179.97 177.62 3i8h n ALA 133 N -2.63 -0.16 -0.21 2.80 0.00 -0.83 0.10 120.51 119.59 3i8h n ALA 133 Ca -0.07 0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 3i8h n ALA 133 Cb 0.27 0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 3i8h n ALA 133 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i8h h ILE 134 N 0.00 0.05 -0.12 0.00 1.08 -1.35 0.75 117.51 117.91 3i8h h ILE 134 Ca 0.04 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.51 3i8h h ILE 134 Cb 0.10 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.89 3i8h h ILE 134 CO -0.23 0.00 0.06 0.11 -0.69 0.00 0.00 178.15 177.40 3i8h h LYS 135 N -0.26 0.17 0.00 2.37 1.79 -0.75 -1.22 116.57 118.67 3i8h h LYS 135 Ca 0.14 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 3i8h h LYS 135 Cb 0.56 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 3i8h h LYS 135 CO -0.69 0.22 0.07 0.37 -1.08 0.00 0.00 179.45 178.35 3i8h h GLN 136 N 0.08 0.00 0.00 3.15 4.15 0.16 -1.66 115.11 120.99 3i8h h GLN 136 Ca 0.04 0.00 -0.42 0.00 0.77 0.00 0.00 58.65 59.05 3i8h h GLN 136 Cb 0.10 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.73 3i8h h GLN 136 CO -0.01 0.00 -2.31 0.00 -1.93 0.00 0.00 178.83 174.58 3i8h n ALA 137 N -1.96 1.15 -0.31 3.38 0.00 0.17 -4.09 120.51 118.84 3i8h n ALA 137 Ca -0.02 -0.99 0.08 0.00 0.00 0.00 0.00 53.44 52.51 3i8h n ALA 137 Cb 0.13 -0.04 0.24 0.00 0.00 0.00 0.00 19.45 19.78 3i8h n ALA 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i8h h VAL 138 N -0.84 0.76 0.00 0.00 2.07 -1.02 0.93 116.25 118.14 3i8h h VAL 138 Ca -0.62 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3i8h h VAL 138 Cb 1.61 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3i8h h VAL 138 CO -0.33 0.13 0.00 1.67 0.02 0.00 0.00 177.57 179.05 3i8h n GLN 139 N -4.82 0.00 -0.06 1.57 -0.06 -0.64 -1.84 117.38 111.54 3i8h n GLN 139 Ca 0.18 0.37 -0.21 0.00 -2.00 0.00 0.00 57.00 55.34 3i8h n GLN 139 Cb 0.44 -1.51 -0.13 0.00 -4.06 0.00 0.00 30.24 24.98 3i8h n GLN 139 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 3i8h n ARG 140 N -1.52 0.69 -0.15 3.69 0.63 0.31 -3.38 116.66 116.94 3i8h n ARG 140 Ca 0.02 0.26 -0.11 0.00 -0.92 0.00 0.00 57.85 57.09 3i8h n ARG 140 Cb 0.09 -1.64 -0.01 0.00 0.45 0.00 0.00 32.46 31.36 3i8h n ARG 140 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3i8h h VAL 141 N -0.14 1.27 0.16 5.15 2.07 -0.93 -0.75 116.25 123.09 3i8h h VAL 141 Ca -0.49 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 3i8h h VAL 141 Cb 1.89 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3i8h h VAL 141 CO -0.04 0.43 -0.08 0.24 0.02 0.00 0.00 177.57 178.15 3i8h h MET 142 N 0.69 -0.20 -0.72 1.57 2.86 -1.57 -3.19 114.93 114.38 3i8h h MET 142 Ca 0.10 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.81 3i8h h MET 142 Cb 0.70 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.35 3i8h h MET 142 CO 0.05 0.11 0.42 1.49 1.06 0.00 0.00 176.91 180.04 3i8h h GLU 143 N -0.53 0.76 -1.63 1.72 4.81 -1.57 -0.58 114.58 117.57 3i8h h GLU 143 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3i8h h GLU 143 Cb 0.41 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3i8h h GLU 143 CO 0.04 0.50 0.00 -1.13 -0.73 0.00 0.00 179.01 177.69 3i8h n SER 144 N -4.73 3.25 -2.18 1.04 3.41 -0.29 -4.82 113.62 109.30 3i8h n SER 144 Ca 0.09 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 3i8h n SER 144 Cb 0.16 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3i8h n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8h n GLY 145 N 1.13 -5.54 3.58 5.00 0.00 -0.24 -4.98 105.19 104.15 3i8h n GLY 145 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 3i8h n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8h s ALA 146 N -0.53 -2.02 -1.68 4.61 0.00 -1.14 -4.86 121.76 116.14 3i8h s ALA 146 Ca 0.00 1.48 0.17 0.00 0.00 0.00 0.00 51.96 53.61 3i8h s ALA 146 Cb 0.00 -0.01 0.40 0.00 0.00 0.00 0.00 23.12 23.51 3i8h s ALA 146 CO 0.00 -0.61 1.31 1.63 0.00 0.00 0.00 175.76 178.09 3i8h n LYS 147 N -0.12 2.44 0.00 0.00 5.02 -1.01 -4.84 118.16 119.65 3i8h n LYS 147 Ca -0.01 -2.16 0.00 0.00 -2.02 0.00 0.00 58.31 54.11 3i8h n LYS 147 Cb 0.59 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 3i8h n LYS 147 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8h n GLY 148 N 1.09 1.15 3.17 0.72 0.00 -1.22 -0.76 105.19 109.34 3i8h n GLY 148 Ca 0.16 0.53 -0.24 0.00 0.00 0.00 0.00 46.02 46.47 3i8h n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8h s ALA 149 N 0.00 1.46 -0.24 4.61 0.00 -0.50 0.25 121.76 127.33 3i8h s ALA 149 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 3i8h s ALA 149 Cb 0.00 -0.34 0.11 0.00 0.00 0.00 0.00 23.12 22.89 3i8h s ALA 149 CO 0.00 0.35 0.49 0.21 0.00 0.00 0.00 175.76 176.81 3i8h s LYS 150 N -0.60 0.41 0.07 0.00 2.20 0.61 -0.06 119.74 122.37 3i8h s LYS 150 Ca 0.06 1.11 0.09 0.00 -0.36 0.00 0.00 55.97 56.87 3i8h s LYS 150 Cb -0.07 0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 36.65 3i8h s LYS 150 CO -0.00 -0.30 -0.24 0.08 -0.36 0.00 0.00 175.35 174.53 3i8h s VAL 151 N 2.71 2.34 -0.05 4.02 1.01 -0.45 0.13 120.40 130.11 3i8h s VAL 151 Ca -0.00 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.55 3i8h s VAL 151 Cb -0.13 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3i8h s VAL 151 CO -0.15 0.28 -0.05 -0.63 0.00 0.00 0.00 175.10 174.55 3i8h s ILE 152 N -0.91 0.62 -0.09 2.22 1.01 0.26 -2.47 121.20 121.84 3i8h s ILE 152 Ca 0.13 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.66 3i8h s ILE 152 Cb -0.10 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.74 3i8h s ILE 152 CO 0.04 0.25 -0.16 -0.69 0.00 0.00 0.00 174.94 174.38 3i8h s VAL 153 N 1.03 1.50 -0.08 2.92 1.01 0.16 0.78 120.40 127.71 3i8h s VAL 153 Ca -0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 3i8h s VAL 153 Cb -0.14 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 34.94 3i8h s VAL 153 CO -0.00 0.44 0.18 -0.94 0.00 0.00 0.00 175.10 174.77 3i8h s SER 154 N 0.64 -0.06 0.00 3.32 1.04 -1.17 0.17 113.70 117.65 3i8h s SER 154 Ca -0.14 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.66 3i8h s SER 154 Cb -0.16 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3i8h s SER 154 CO 0.04 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.71 3i8h n GLY 155 N 4.36 -0.52 2.65 7.32 0.00 -1.25 -2.86 105.19 114.88 3i8h n GLY 155 Ca -0.24 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 3i8h n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8h n ARG 156 N 0.00 3.08 -1.67 1.61 1.74 -1.26 -2.45 116.66 117.71 3i8h n ARG 156 Ca 0.00 -2.57 -0.48 0.00 -0.77 0.00 0.00 57.85 54.04 3i8h n ARG 156 Cb 0.00 -3.17 -0.05 0.00 -1.02 0.00 0.00 32.46 28.23 3i8h n ARG 156 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3i8h n ILE 157 N 4.67 0.33 -0.40 0.55 5.41 -1.26 -0.34 119.36 128.32 3i8h n ILE 157 Ca 0.57 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 64.26 3i8h n ILE 157 Cb 0.35 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 3i8h n ILE 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i8h n GLY 158 N 3.96 0.96 2.04 7.39 0.00 -1.26 -3.25 105.19 115.03 3i8h n GLY 158 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3i8h n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8h n GLY 159 N -2.00 1.03 3.29 -0.02 0.00 0.54 -5.01 105.19 103.02 3i8h n GLY 159 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3i8h n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8h n ALA 160 N -0.06 -4.06 -1.02 4.61 0.00 -1.20 -5.00 120.51 113.77 3i8h n ALA 160 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.16 3i8h n ALA 160 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3i8h n ALA 160 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i8h n GLU 161 N -2.26 0.00 -1.43 0.00 4.07 -1.26 -4.72 120.64 115.04 3i8h n GLU 161 Ca 0.01 0.00 -0.50 0.00 -0.06 0.00 0.00 57.16 56.61 3i8h n GLU 161 Cb 0.62 -0.25 -0.08 0.00 -0.06 0.00 0.00 31.44 31.66 3i8h n GLU 161 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 3i8h n GLN 162 N -0.94 0.76 -1.73 5.31 -0.06 -1.26 -4.77 117.38 114.68 3i8h n GLN 162 Ca 0.00 0.18 -0.42 0.00 -2.00 0.00 0.00 57.00 54.76 3i8h n GLN 162 Cb 0.00 -2.28 -0.01 0.00 -4.06 0.00 0.00 30.24 23.90 3i8h n GLN 162 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3i8h n ALA 163 N 10.15 1.82 -2.96 1.69 0.00 -1.26 -4.88 120.51 125.06 3i8h n ALA 163 Ca 0.46 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.26 3i8h n ALA 163 Cb 0.19 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.30 3i8h n ALA 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i8h n ARG 164 N 0.80 3.15 -3.21 0.00 1.74 -1.02 -4.98 116.66 113.13 3i8h n ARG 164 Ca 0.04 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.17 3i8h n ARG 164 Cb 0.37 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.78 3i8h n ARG 164 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3i8h s THR 165 N 3.74 -0.38 -0.27 0.55 -1.32 -1.26 -3.79 115.64 112.90 3i8h s THR 165 Ca 0.00 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.38 3i8h s THR 165 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 3i8h s THR 165 CO 0.00 0.00 0.16 -0.70 -2.21 0.00 0.00 174.62 171.87 3i8h s GLU 166 N 2.75 3.87 0.20 7.08 2.56 0.44 -4.97 118.70 130.63 3i8h s GLU 166 Ca -0.00 -0.36 0.10 0.00 0.00 0.00 0.00 54.97 54.71 3i8h s GLU 166 Cb -0.09 -3.57 -0.04 0.00 2.00 0.00 0.00 34.13 32.43 3i8h s GLU 166 CO -0.14 -0.18 -0.16 -0.46 -0.56 0.00 0.00 175.26 173.76 3i8h s TRP 167 N 1.71 2.47 -0.30 5.30 -0.00 -1.26 0.40 118.94 127.26 3i8h s TRP 167 Ca 0.07 -0.29 -0.16 0.00 -0.00 0.00 0.00 56.10 55.72 3i8h s TRP 167 Cb -0.16 -1.20 0.20 0.00 -0.00 0.00 0.00 33.47 32.32 3i8h s TRP 167 CO 0.09 0.53 1.23 0.00 -0.00 0.00 0.00 176.95 178.80 3i8h s ALA 168 N -1.77 -2.63 0.24 5.86 0.00 -1.03 -5.01 121.76 117.40 3i8h s ALA 168 Ca 0.24 2.00 -0.02 0.00 0.00 0.00 0.00 51.96 54.18 3i8h s ALA 168 Cb -0.08 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.09 3i8h s ALA 168 CO 0.13 -0.32 0.34 0.00 0.00 0.00 0.00 175.76 175.91 3i8h n ALA 169 N 3.14 -0.30 -3.55 0.00 0.00 -1.26 -1.34 120.51 117.21 3i8h n ALA 169 Ca -0.17 -1.06 -0.11 0.00 0.00 0.00 0.00 53.44 52.10 3i8h n ALA 169 Cb 0.56 0.85 -0.04 0.00 0.00 0.00 0.00 19.45 20.82 3i8h n ALA 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i8h s GLN 170 N -2.50 0.72 5.38 0.00 0.74 0.91 -4.96 119.66 119.95 3i8h s GLN 170 Ca 0.19 0.03 0.00 0.00 0.05 0.00 0.00 55.36 55.63 3i8h s GLN 170 Cb -0.01 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.44 3i8h s GLN 170 CO 0.13 -0.25 0.00 0.41 -0.55 0.00 0.00 175.29 175.03 3i8h n GLY 171 N 0.48 1.29 3.59 2.59 0.00 -1.26 -1.41 105.19 110.46 3i8h n GLY 171 Ca -0.11 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 3i8h n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8h s ARG 172 N 0.00 2.10 -0.44 1.61 0.52 0.06 -4.93 118.95 117.88 3i8h s ARG 172 Ca 0.00 -1.43 0.03 0.00 -0.52 0.00 0.00 55.73 53.81 3i8h s ARG 172 Cb 0.00 -2.09 0.25 0.00 0.52 0.00 0.00 34.95 33.63 3i8h s ARG 172 CO 0.00 0.38 0.99 0.28 0.02 0.00 0.00 175.30 176.97 3i8h n VAL 173 N -0.53 0.00 -2.67 3.52 0.31 -1.26 -3.72 118.33 113.99 3i8h n VAL 173 Ca -0.08 -1.21 -0.43 0.00 -0.01 0.00 0.00 64.34 62.61 3i8h n VAL 173 Cb 0.58 1.34 0.00 0.00 -0.91 0.00 0.00 33.84 34.85 3i8h n VAL 173 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3i8h n PRO 174 N 1.67 3.25 0.00 5.55 -0.02 -1.26 -4.73 135.00 139.46 3i8h n PRO 174 Ca 0.07 -3.44 0.00 0.00 -2.02 0.00 0.00 63.50 58.11 3i8h n PRO 174 Cb 0.65 -3.35 0.00 0.00 -0.02 0.00 0.00 33.50 30.78 3i8h n PRO 174 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i8h n LEU 175 N 7.48 0.00 0.03 2.45 4.32 -1.26 -0.39 117.00 129.63 3i8h n LEU 175 Ca 0.45 0.37 -0.08 0.00 -0.02 0.00 0.00 56.01 56.74 3i8h n LEU 175 Cb 0.45 -0.37 -0.13 0.00 -1.62 0.00 0.00 43.42 41.75 3i8h n LEU 175 CO 0.73 -0.37 -0.08 0.45 -1.22 0.00 0.00 177.39 176.91 3i8h h HIS 176 N 0.00 0.00 -3.38 -1.77 3.86 -2.01 -3.46 115.15 108.38 3i8h h HIS 176 Ca 0.00 -0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 3i8h h HIS 176 Cb 0.05 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 3i8h h HIS 176 CO 0.00 1.00 0.34 0.99 0.86 0.00 0.00 177.93 181.12 3i8h s THR 177 N -2.67 4.90 0.10 2.45 2.01 0.48 -4.97 115.64 117.93 3i8h s THR 177 Ca -0.01 1.92 0.15 0.00 0.31 0.00 0.00 61.69 64.07 3i8h s THR 177 Cb 0.09 -4.26 0.06 0.00 0.01 0.00 0.00 72.50 68.40 3i8h s THR 177 CO 0.82 0.16 1.59 -0.07 -0.69 0.00 0.00 174.62 176.43 3i8h h LEU 178 N 6.97 0.00 -3.84 4.42 -0.00 -1.89 -3.19 115.31 117.78 3i8h h LEU 178 Ca -0.40 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.07 3i8h h LEU 178 Cb 1.20 0.00 -0.24 0.00 -0.00 0.00 0.00 40.66 41.62 3i8h h LEU 178 CO 0.76 0.51 0.52 -2.11 -0.00 0.00 0.00 178.44 178.13 3i8h n ARG 179 N -3.47 2.65 -0.06 1.13 1.85 -1.26 -4.51 116.66 112.99 3i8h n ARG 179 Ca 0.00 -2.91 -0.06 0.00 -1.00 0.00 0.00 57.85 53.87 3i8h n ARG 179 Cb 0.63 -2.15 -0.05 0.00 -1.05 0.00 0.00 32.46 29.84 3i8h n ARG 179 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i8h h ALA 180 N 1.55 0.02 -3.55 2.89 0.00 -1.74 -3.31 119.26 115.13 3i8h h ALA 180 Ca 0.51 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3i8h h ALA 180 Cb 2.65 0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.55 3i8h h ALA 180 CO 0.96 0.11 -0.20 -1.71 0.00 0.00 0.00 179.25 178.41 3i8h n ASN 181 N -4.68 -3.50 -4.06 0.00 5.15 -1.26 -3.13 115.26 103.78 3i8h n ASN 181 Ca -0.06 0.27 -0.31 0.00 -0.60 0.00 0.00 54.58 53.87 3i8h n ASN 181 Cb 0.23 -2.09 -0.16 0.00 -0.53 0.00 0.00 39.78 37.23 3i8h n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i8h s ILE 182 N -0.81 1.81 0.35 -1.44 1.01 -1.26 -2.56 121.20 118.30 3i8h s ILE 182 Ca 0.02 -0.83 -0.27 0.00 0.00 0.00 0.00 60.65 59.57 3i8h s ILE 182 Cb -0.01 -1.69 -0.09 0.00 0.01 0.00 0.00 42.46 40.68 3i8h s ILE 182 CO 0.19 0.45 1.11 -0.62 0.00 0.00 0.00 174.94 176.08 3i8h s ASP 183 N 1.38 6.91 -0.19 3.58 3.68 -0.48 -4.78 116.67 126.78 3i8h s ASP 183 Ca 0.04 2.25 -0.01 0.00 2.13 0.00 0.00 52.55 56.96 3i8h s ASP 183 Cb -0.13 -2.61 0.01 0.00 -1.45 0.00 0.00 42.92 38.73 3i8h s ASP 183 CO -0.11 -0.39 -0.15 -0.47 0.13 0.00 0.00 175.17 174.18 3i8h s TYR 184 N -1.36 2.83 0.02 -5.34 5.04 -1.26 -1.79 117.35 115.49 3i8h s TYR 184 Ca 0.52 -1.36 0.06 0.00 -2.44 0.00 0.00 57.07 53.84 3i8h s TYR 184 Cb -0.29 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 40.01 3i8h s TYR 184 CO 0.37 -0.69 -0.15 0.20 -1.34 0.00 0.00 175.55 173.94 3i8h s GLY 185 N 1.30 1.60 -0.23 8.97 0.00 0.32 -4.33 107.32 114.96 3i8h s GLY 185 Ca 0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 44.72 43.62 3i8h s GLY 185 CO -0.09 -0.98 0.29 -0.12 0.00 0.00 0.00 173.10 172.20 3i8h s PHE 186 N -0.90 -0.50 0.02 1.90 5.36 -1.26 0.63 117.98 123.23 3i8h s PHE 186 Ca 0.15 0.37 0.09 0.00 -0.96 0.00 0.00 56.93 56.58 3i8h s PHE 186 Cb -0.11 -0.25 -0.03 0.00 -0.34 0.00 0.00 43.02 42.30 3i8h s PHE 186 CO 0.05 -0.69 -0.26 0.00 -1.46 0.00 0.00 175.22 172.86 3i8h s ALA 187 N 2.41 2.19 0.33 11.12 0.00 0.07 -4.91 121.76 132.97 3i8h s ALA 187 Ca 0.09 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3i8h s ALA 187 Cb -0.15 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.48 3i8h s ALA 187 CO -0.16 0.52 0.00 1.28 0.00 0.00 0.00 175.76 177.40 3i8h n LEU 188 N 2.01 0.00 0.00 0.00 7.99 -1.26 -0.90 117.00 124.83 3i8h n LEU 188 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.83 3i8h n LEU 188 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 3i8h n LEU 188 CO 0.23 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.11 3i8h n ALA 189 N -3.00 0.00 -2.69 -1.18 0.00 -1.25 -4.38 120.51 108.01 3i8h n ALA 189 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3i8h n ALA 189 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i8h n ALA 189 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i8h s ARG 190 N 0.00 3.76 0.61 0.00 0.52 -1.26 -1.78 118.95 120.80 3i8h s ARG 190 Ca 0.00 -1.66 0.02 0.00 -0.52 0.00 0.00 55.73 53.56 3i8h s ARG 190 Cb 0.00 -5.28 0.12 0.00 0.52 0.00 0.00 34.95 30.30 3i8h s ARG 190 CO 0.00 -2.08 0.84 0.25 0.02 0.00 0.00 175.30 174.33 3i8h n THR 191 N 6.20 0.00 -0.07 0.02 -2.24 -1.23 -5.00 114.28 111.96 3i8h n THR 191 Ca 0.36 -1.45 -0.11 0.00 -2.27 0.00 0.00 64.05 60.58 3i8h n THR 191 Cb 0.48 -0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 67.79 3i8h n THR 191 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3i8h h THR 192 N -0.44 1.25 0.00 4.28 2.02 -1.99 -2.88 112.91 115.14 3i8h h THR 192 Ca -0.28 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.05 3i8h h THR 192 Cb 1.08 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 3i8h h THR 192 CO 0.32 0.26 0.00 0.00 0.37 0.00 0.00 175.52 176.47 3i8h n TYR 193 N -4.68 0.00 0.00 3.16 0.18 -1.26 -4.99 117.16 109.57 3i8h n TYR 193 Ca -0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.74 3i8h n TYR 193 Cb 0.22 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.18 3i8h n TYR 193 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3i8h n GLY 194 N 0.68 2.24 3.70 -7.48 0.00 -1.09 -4.97 105.19 98.27 3i8h n GLY 194 Ca 0.11 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 3i8h n GLY 194 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i8h n VAL 195 N -0.47 3.32 -4.71 1.61 0.31 -1.26 -3.49 118.33 113.63 3i8h n VAL 195 Ca 0.00 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.52 3i8h n VAL 195 Cb 0.00 -1.52 -0.08 0.00 -0.91 0.00 0.00 33.84 31.33 3i8h n VAL 195 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3i8h s LEU 196 N -2.47 2.26 -0.35 7.52 1.98 -0.73 -4.57 118.68 122.31 3i8h s LEU 196 Ca 0.68 -1.65 0.05 0.00 -2.89 0.00 0.00 54.13 50.32 3i8h s LEU 196 Cb -0.45 -0.61 0.17 0.00 0.66 0.00 0.00 46.19 45.95 3i8h s LEU 196 CO 0.52 -0.85 0.48 -0.83 -1.89 0.00 0.00 176.35 173.78 3i8h s GLY 197 N -3.82 -0.68 -0.23 7.98 0.00 -1.14 -3.92 107.32 105.52 3i8h s GLY 197 Ca 0.10 -0.08 -0.22 0.00 0.00 0.00 0.00 44.72 44.52 3i8h s GLY 197 CO 0.06 3.20 0.69 0.14 0.00 0.00 0.00 173.10 177.19 3i8h s VAL 198 N 2.00 4.96 0.04 1.40 1.01 -0.08 -3.02 120.40 126.71 3i8h s VAL 198 Ca 0.14 1.28 0.06 0.00 0.00 0.00 0.00 61.98 63.46 3i8h s VAL 198 Cb -0.10 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3i8h s VAL 198 CO -0.14 0.03 -0.15 -0.54 0.00 0.00 0.00 175.10 174.30 3i8h s LYS 199 N 2.36 2.16 0.00 2.72 1.02 0.23 -0.75 119.74 127.49 3i8h s LYS 199 Ca 0.30 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.35 3i8h s LYS 199 Cb -0.16 -2.26 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 3i8h s LYS 199 CO 0.09 0.55 -0.01 0.00 -0.92 0.00 0.00 175.35 175.06 3i8h s ALA 200 N -0.98 0.03 -0.09 5.17 0.00 0.20 0.91 121.76 127.01 3i8h s ALA 200 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 3i8h s ALA 200 Cb -0.11 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3i8h s ALA 200 CO 0.07 -0.04 -0.07 0.71 0.00 0.00 0.00 175.76 176.44 3i8h s TYR 201 N -0.34 1.25 -0.17 0.00 1.51 0.35 -0.52 117.35 119.43 3i8h s TYR 201 Ca -0.04 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 3i8h s TYR 201 Cb -0.02 -1.07 0.02 0.00 -0.11 0.00 0.00 41.96 40.77 3i8h s TYR 201 CO -0.00 -0.41 -0.20 0.42 -1.11 0.00 0.00 175.55 174.25 3i8h s ILE 202 N 1.52 2.14 -0.02 2.71 1.01 -0.74 -0.29 121.20 127.54 3i8h s ILE 202 Ca 0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 3i8h s ILE 202 Cb -0.13 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 3i8h s ILE 202 CO -0.05 0.54 0.32 0.12 0.00 0.00 0.00 174.94 175.87 3i8h s PHE 203 N 1.15 3.65 0.00 3.97 5.36 0.68 -1.38 117.98 131.41 3i8h s PHE 203 Ca 0.01 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 56.77 3i8h s PHE 203 Cb -0.14 -2.14 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 3i8h s PHE 203 CO -0.09 0.65 0.00 1.28 -1.46 0.00 0.00 175.22 175.60 3i8h n LEU 204 N 1.62 0.00 0.00 6.12 4.77 -1.06 -2.41 117.00 126.04 3i8h n LEU 204 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3i8h n LEU 204 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3i8h n LEU 204 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3i8h n GLY 205 N 4.58 0.15 0.00 -0.72 0.00 -1.18 -4.49 105.19 103.52 3i8h n GLY 205 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3i8h n GLY 205 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11