#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b n ASN 3 N 0.00 -4.26 0.00 1.61 4.13 -1.26 -5.08 115.26 110.40 3i9b n ASN 3 Ca 0.00 0.62 0.00 0.00 1.68 0.00 0.00 54.58 56.88 3i9b n ASN 3 Cb 0.00 -1.63 0.00 0.00 -1.54 0.00 0.00 39.78 36.61 3i9b n ASN 3 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 3i9b n LYS 4 N -1.20 0.00 0.00 3.52 -0.00 -1.26 -5.14 118.16 114.08 3i9b n LYS 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i9b n LYS 4 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.08 3i9b n LYS 4 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 3i9b n ILE 5 N 0.00 0.00 -1.43 0.58 -0.00 -1.26 -4.47 119.36 112.79 3i9b n ILE 5 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 62.75 62.25 3i9b n ILE 5 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 39.55 3i9b n ILE 5 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 3i9b n HIS 6 N 0.00 1.37 -0.69 4.28 -0.00 -1.26 -4.81 115.22 114.11 3i9b n HIS 6 Ca 0.00 0.36 0.52 0.00 -0.00 0.00 0.00 57.72 58.60 3i9b n HIS 6 Cb 0.00 -2.48 0.80 0.00 -0.00 0.00 0.00 29.99 28.31 3i9b n HIS 6 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3i9b n PRO 7 N 8.20 -0.00 0.15 1.57 -0.04 -1.26 -2.07 135.00 141.54 3i9b n PRO 7 Ca 0.47 1.05 -0.10 0.00 -0.04 0.00 0.00 63.50 64.88 3i9b n PRO 7 Cb 0.19 -2.43 -0.06 0.00 -0.04 0.00 0.00 33.50 31.16 3i9b n PRO 7 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3i9b h ILE 8 N 0.00 0.34 -0.35 0.52 1.08 -1.94 -3.09 117.51 114.07 3i9b h ILE 8 Ca 0.92 -0.75 0.10 0.00 -0.39 0.00 0.00 64.86 64.74 3i9b h ILE 8 Cb 3.68 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 37.96 3i9b h ILE 8 CO -0.01 0.08 0.32 1.23 -0.69 0.00 0.00 178.15 179.08 3i9b h GLY 9 N -1.02 0.00 2.00 5.37 0.00 -1.80 0.97 103.07 108.59 3i9b h GLY 9 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3i9b h GLY 9 CO 0.08 0.00 0.00 0.33 0.00 0.00 0.00 176.54 176.95 3i9b n PHE 10 N -3.97 0.31 0.03 5.60 7.35 -1.19 -3.54 117.46 122.05 3i9b n PHE 10 Ca 0.06 0.10 0.05 0.00 -0.76 0.00 0.00 57.45 56.90 3i9b n PHE 10 Cb 0.49 -0.66 -0.08 0.00 0.35 0.00 0.00 39.48 39.58 3i9b n PHE 10 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3i9b n ARG 11 N -1.76 0.55 0.00 -4.13 5.12 0.29 -4.95 116.66 111.79 3i9b n ARG 11 Ca 0.05 -0.09 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 3i9b n ARG 11 Cb 0.30 -1.22 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 3i9b n ARG 11 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3i9b n LEU 12 N -1.80 0.00 0.00 0.55 4.77 -0.94 -3.03 117.00 116.55 3i9b n LEU 12 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3i9b n LEU 12 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3i9b n LEU 12 CO 0.21 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3i9b n GLY 13 N 0.00 0.00 3.54 -0.72 0.00 -1.26 -3.74 105.19 103.01 3i9b n GLY 13 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i9b n GLY 13 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i9b s ILE 14 N -0.99 3.85 0.14 -0.61 2.07 -1.17 -4.92 121.20 119.56 3i9b s ILE 14 Ca 0.00 -0.39 0.00 0.00 -1.41 0.00 0.00 60.65 58.85 3i9b s ILE 14 Cb 0.00 -2.64 0.00 0.00 0.13 0.00 0.00 42.46 39.95 3i9b s ILE 14 CO 0.00 0.54 0.00 0.41 -1.91 0.00 0.00 174.94 173.98 3i9b n THR 15 N 2.98 -3.69 -2.11 4.00 -1.04 -1.25 -4.77 114.28 108.41 3i9b n THR 15 Ca -0.18 1.11 -0.00 0.00 -2.04 0.00 0.00 64.05 62.95 3i9b n THR 15 Cb 0.53 -2.29 -0.00 0.00 -1.82 0.00 0.00 70.33 66.75 3i9b n THR 15 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i9b n ARG 16 N 0.09 -4.23 -2.82 -2.82 5.12 -1.26 -3.74 116.66 106.99 3i9b n ARG 16 Ca 0.00 3.16 -0.20 0.00 -1.93 0.00 0.00 57.85 58.88 3i9b n ARG 16 Cb 0.00 -3.96 0.02 0.00 -1.16 0.00 0.00 32.46 27.36 3i9b n ARG 16 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3i9b s ASP 17 N -0.49 5.48 0.16 0.55 1.11 -1.26 -4.05 116.67 118.17 3i9b s ASP 17 Ca -0.01 -0.07 0.00 0.00 0.18 0.00 0.00 52.55 52.65 3i9b s ASP 17 Cb 0.00 -0.95 0.00 0.00 1.07 0.00 0.00 42.92 43.05 3i9b s ASP 17 CO 0.02 -0.95 0.00 0.79 1.18 0.00 0.00 175.17 176.21 3i9b n TRP 18 N -2.15 -0.36 -0.09 4.23 5.03 -1.26 -4.97 117.44 117.87 3i9b n TRP 18 Ca 0.06 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.59 3i9b n TRP 18 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.87 3i9b n TRP 18 CO 0.00 0.00 0.00 -1.91 -0.03 0.00 0.00 177.69 175.75 3i9b n GLU 19 N -0.31 1.47 -3.52 -0.99 2.13 -1.26 -4.97 120.64 113.18 3i9b n GLU 19 Ca 0.00 -0.01 -0.21 0.00 0.66 0.00 0.00 57.16 57.59 3i9b n GLU 19 Cb 0.00 -0.18 -0.14 0.00 0.27 0.00 0.00 31.44 31.39 3i9b n GLU 19 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i9b s SER 20 N -0.21 1.90 -0.86 4.31 0.15 -1.26 -2.04 113.70 115.69 3i9b s SER 20 Ca 0.00 -0.50 -0.03 0.00 0.70 0.00 0.00 55.95 56.12 3i9b s SER 20 Cb 0.00 0.15 0.21 0.00 -1.71 0.00 0.00 66.02 64.67 3i9b s SER 20 CO 0.00 -0.35 0.74 -0.13 1.20 0.00 0.00 173.24 174.70 3i9b s ARG 21 N 2.25 3.23 -0.02 5.44 0.52 0.29 -4.98 118.95 125.69 3i9b s ARG 21 Ca 0.06 -3.11 -0.05 0.00 -0.52 0.00 0.00 55.73 52.12 3i9b s ARG 21 Cb -0.16 -3.98 0.00 0.00 0.52 0.00 0.00 34.95 31.34 3i9b s ARG 21 CO -0.16 -1.25 0.10 1.67 0.02 0.00 0.00 175.30 175.68 3i9b s TRP 22 N -1.05 -0.00 0.33 -0.53 1.48 -1.26 -3.37 118.94 114.54 3i9b s TRP 22 Ca 0.25 0.01 0.08 0.00 -1.06 0.00 0.00 56.10 55.38 3i9b s TRP 22 Cb -0.10 -0.03 -0.04 0.00 -1.16 0.00 0.00 33.47 32.15 3i9b s TRP 22 CO -0.10 -0.17 0.20 0.71 -4.06 0.00 0.00 176.95 173.53 3i9b s TYR 23 N -0.73 2.81 -3.44 1.66 1.51 -1.26 -5.00 117.35 112.90 3i9b s TYR 23 Ca -0.08 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 3i9b s TYR 23 Cb -0.05 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 3i9b s TYR 23 CO 0.01 0.30 0.00 0.00 -1.11 0.00 0.00 175.55 174.74 3i9b n ALA 24 N -1.23 0.00 -3.00 3.71 0.00 -1.26 -5.00 120.51 113.72 3i9b n ALA 24 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i9b n ALA 24 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3i9b n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9b n GLY 25 N 0.00 1.22 3.33 0.00 0.00 -1.26 -5.01 105.19 103.47 3i9b n GLY 25 Ca 0.00 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 3i9b n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i9b n LYS 26 N 0.00 -0.20 -0.75 1.61 2.85 -1.26 -1.66 118.16 118.75 3i9b n LYS 26 Ca 0.00 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 3i9b n LYS 26 Cb 0.00 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 3i9b n LYS 26 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3i9b n LYS 27 N -0.72 -0.16 0.12 -1.58 3.00 -1.26 -4.59 118.16 112.97 3i9b n LYS 27 Ca 0.05 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 3i9b n LYS 27 Cb 0.54 -3.74 0.00 0.00 0.00 0.00 0.00 35.03 31.83 3i9b n LYS 27 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3i9b n GLN 28 N -1.82 0.00 -0.31 1.64 -0.06 -1.07 -4.92 117.38 110.84 3i9b n GLN 28 Ca 0.00 0.00 0.30 0.00 -2.00 0.00 0.00 57.00 55.30 3i9b n GLN 28 Cb 0.04 -0.08 0.54 0.00 -4.06 0.00 0.00 30.24 26.69 3i9b n GLN 28 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 3i9b n TYR 29 N -3.41 0.99 -0.08 3.69 -0.00 -0.67 -0.04 117.16 117.65 3i9b n TYR 29 Ca 0.00 1.00 -0.02 0.00 -0.00 0.00 0.00 57.90 58.88 3i9b n TYR 29 Cb 0.00 -1.41 0.23 0.00 -0.00 0.00 0.00 39.34 38.16 3i9b n TYR 29 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 3i9b h ARG 30 N 0.00 0.71 0.15 2.98 2.43 -1.91 -1.90 114.38 116.84 3i9b h ARG 30 Ca 0.77 -0.15 -0.30 0.00 -0.81 0.00 0.00 59.98 59.49 3i9b h ARG 30 Cb 2.11 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 31.56 3i9b h ARG 30 CO -0.65 0.67 -1.49 0.45 -1.51 0.00 0.00 179.97 177.43 3i9b h HIS 31 N 0.68 0.58 0.00 2.20 3.86 -0.81 -3.02 115.15 118.64 3i9b h HIS 31 Ca 0.15 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 3i9b h HIS 31 Cb 0.31 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3i9b h HIS 31 CO 0.01 1.58 0.00 -0.07 0.86 0.00 0.00 177.93 180.32 3i9b h LEU 32 N -0.14 0.00 0.00 2.43 3.38 -1.38 -3.04 115.31 116.56 3i9b h LEU 32 Ca -0.30 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 3i9b h LEU 32 Cb 1.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 3i9b h LEU 32 CO 0.12 0.00 -0.54 0.25 0.09 0.00 0.00 178.44 178.37 3i9b h LEU 33 N 0.00 0.00 -2.09 1.67 5.85 -1.44 -2.85 115.31 116.44 3i9b h LEU 33 Ca 0.00 -0.78 0.06 0.00 0.84 0.00 0.00 57.88 58.00 3i9b h LEU 33 Cb 0.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3i9b h LEU 33 CO 0.00 1.20 0.33 0.25 -0.34 0.00 0.00 178.44 179.88 3i9b h LEU 34 N -1.00 0.00 0.07 2.25 5.85 -1.48 0.42 115.31 121.42 3i9b h LEU 34 Ca -0.15 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 3i9b h LEU 34 Cb 1.12 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.16 3i9b h LEU 34 CO -0.09 0.00 -0.46 -0.08 -0.34 0.00 0.00 178.44 177.47 3i9b h GLU 35 N 0.00 0.14 -0.97 1.25 4.81 -1.64 -3.26 114.58 114.90 3i9b h GLU 35 Ca 0.10 -0.24 0.18 0.00 -0.13 0.00 0.00 59.36 59.27 3i9b h GLU 35 Cb 0.76 0.09 -0.17 0.00 0.63 0.00 0.00 28.75 30.05 3i9b h GLU 35 CO -0.00 1.11 -0.30 -3.47 -0.73 0.00 0.00 179.01 175.63 3i9b n ASP 36 N -4.37 -0.46 -0.10 1.04 -0.08 0.14 -0.81 116.55 111.91 3i9b n ASP 36 Ca -0.13 1.69 -0.11 0.00 -1.51 0.00 0.00 54.79 54.73 3i9b n ASP 36 Cb 0.65 -0.46 -0.03 0.00 2.34 0.00 0.00 41.12 43.62 3i9b n ASP 36 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3i9b h GLN 37 N 0.00 0.50 -0.38 -0.67 5.75 -1.55 -2.74 115.11 116.03 3i9b h GLN 37 Ca 0.42 -0.14 0.11 0.00 -0.15 0.00 0.00 58.65 58.89 3i9b h GLN 37 Cb 0.66 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 3i9b h GLN 37 CO -0.99 0.61 0.28 -0.09 -2.65 0.00 0.00 178.83 175.99 3i9b h ARG 38 N 0.32 0.00 0.43 1.69 2.43 -1.02 2.00 114.38 120.24 3i9b h ARG 38 Ca 0.09 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3i9b h ARG 38 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3i9b h ARG 38 CO 0.01 0.00 -0.21 0.82 -1.51 0.00 0.00 179.97 179.08 3i9b h ILE 39 N 0.00 0.52 0.00 1.20 2.04 -1.06 1.22 117.51 121.43 3i9b h ILE 39 Ca 0.18 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3i9b h ILE 39 Cb 0.74 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3i9b h ILE 39 CO -0.00 0.07 0.00 0.54 0.00 0.00 0.00 178.15 178.76 3i9b n ARG 40 N -5.24 0.19 -0.05 2.37 1.74 0.63 -0.71 116.66 115.58 3i9b n ARG 40 Ca -0.11 0.45 -0.20 0.00 -0.77 0.00 0.00 57.85 57.23 3i9b n ARG 40 Cb 0.29 -1.88 -0.13 0.00 -1.02 0.00 0.00 32.46 29.72 3i9b n ARG 40 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3i9b h GLY 41 N 1.93 0.11 0.99 -0.13 0.00 0.37 -3.03 103.07 103.31 3i9b h GLY 41 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 46.88 3i9b h GLY 41 CO 0.00 0.24 -0.62 -2.00 0.00 0.00 0.00 176.54 174.16 3i9b h LEU 42 N -0.74 0.75 0.07 3.11 5.85 0.17 -3.21 115.31 121.30 3i9b h LEU 42 Ca -0.23 -0.64 -0.00 0.00 0.84 0.00 0.00 57.88 57.84 3i9b h LEU 42 Cb 1.39 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3i9b h LEU 42 CO -0.05 1.27 -0.04 -0.07 -0.34 0.00 0.00 178.44 179.21 3i9b h LEU 43 N 0.27 -0.08 -0.67 2.25 3.38 -1.10 -3.14 115.31 116.22 3i9b h LEU 43 Ca -0.04 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.18 3i9b h LEU 43 Cb 1.26 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.91 3i9b h LEU 43 CO 0.13 -0.06 0.27 -0.62 0.09 0.00 0.00 178.44 178.25 3i9b n GLU 44 N -2.28 -0.04 0.00 1.13 -0.58 -1.14 -2.89 120.64 114.82 3i9b n GLU 44 Ca -0.01 0.95 0.00 0.00 -0.42 0.00 0.00 57.16 57.68 3i9b n GLU 44 Cb 0.04 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 3i9b n GLU 44 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3i9b n LYS 45 N -4.62 0.00 -0.65 3.49 5.02 -1.18 -2.36 118.16 117.85 3i9b n LYS 45 Ca 0.23 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.32 3i9b n LYS 45 Cb 0.78 -0.14 -0.02 0.00 -0.02 0.00 0.00 35.03 35.63 3i9b n LYS 45 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3i9b n GLU 46 N 0.00 1.74 0.00 1.97 0.28 -1.17 -1.39 120.64 122.06 3i9b n GLU 46 Ca 0.00 -1.33 0.00 0.00 -0.16 0.00 0.00 57.16 55.67 3i9b n GLU 46 Cb 0.00 -2.41 0.00 0.00 1.43 0.00 0.00 31.44 30.46 3i9b n GLU 46 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3i9b n LEU 47 N 4.52 0.00 -0.10 -1.84 7.94 -1.14 -4.91 117.00 121.47 3i9b n LEU 47 Ca 0.38 0.00 0.24 0.00 -1.11 0.00 0.00 56.01 55.52 3i9b n LEU 47 Cb 0.13 0.00 0.70 0.00 0.53 0.00 0.00 43.42 44.77 3i9b n LEU 47 CO 0.69 0.00 1.22 0.22 -1.11 0.00 0.00 177.39 178.42 3i9b h TYR 48 N 0.00 0.03 -0.62 1.96 3.20 -0.84 0.30 116.97 120.99 3i9b h TYR 48 Ca 0.00 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.05 3i9b h TYR 48 Cb 0.00 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3i9b h TYR 48 CO 0.00 0.01 0.69 0.77 -1.64 0.00 0.00 178.16 177.99 3i9b h SER 49 N 0.02 0.00 0.64 -2.11 0.02 -1.89 0.68 113.55 110.91 3i9b h SER 49 Ca 0.35 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 61.05 3i9b h SER 49 Cb 1.35 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.85 3i9b h SER 49 CO -0.01 0.00 -1.51 0.00 -1.14 0.00 0.00 176.83 174.17 3i9b h ALA 50 N 1.20 0.69 -0.74 3.77 0.00 -0.76 -3.48 119.26 119.94 3i9b h ALA 50 Ca 0.30 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.98 3i9b h ALA 50 Cb 1.68 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.81 3i9b h ALA 50 CO -0.00 1.36 0.00 0.41 0.00 0.00 0.00 179.25 181.02 3i9b n GLY 51 N 1.48 0.84 3.55 0.00 0.00 0.24 -4.68 105.19 106.62 3i9b n GLY 51 Ca -0.12 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 3i9b n GLY 51 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i9b n LEU 52 N -0.37 2.75 -0.07 0.99 -0.00 -1.26 -4.78 117.00 114.26 3i9b n LEU 52 Ca 0.00 0.17 -0.06 0.00 -0.00 0.00 0.00 56.01 56.11 3i9b n LEU 52 Cb 0.29 -1.46 -0.03 0.00 -0.00 0.00 0.00 43.42 42.22 3i9b n LEU 52 CO 0.00 -0.82 -0.27 0.00 -0.00 0.00 0.00 177.39 176.30 3i9b h ALA 53 N 14.85 0.03 -2.64 1.47 0.00 -1.92 -3.48 119.26 127.58 3i9b h ALA 53 Ca -0.34 -0.49 -0.56 0.00 0.00 0.00 0.00 54.91 53.52 3i9b h ALA 53 Cb 1.27 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 3i9b h ALA 53 CO 1.01 0.41 -0.44 1.03 0.00 0.00 0.00 179.25 181.26 3i9b s ARG 54 N -2.11 3.47 -0.45 0.00 0.52 -1.26 -5.00 118.95 114.12 3i9b s ARG 54 Ca -0.14 -0.47 0.06 0.00 -0.52 0.00 0.00 55.73 54.66 3i9b s ARG 54 Cb 0.02 -2.95 0.20 0.00 0.52 0.00 0.00 34.95 32.74 3i9b s ARG 54 CO 0.24 0.51 0.59 0.28 0.02 0.00 0.00 175.30 176.94 3i9b n VAL 55 N -0.33 -0.54 -2.20 3.52 0.31 -1.26 -2.07 118.33 115.76 3i9b n VAL 55 Ca -0.06 -2.47 -0.41 0.00 -0.01 0.00 0.00 64.34 61.38 3i9b n VAL 55 Cb 0.53 -0.37 -0.03 0.00 -0.91 0.00 0.00 33.84 33.07 3i9b n VAL 55 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3i9b s ASP 56 N -0.25 6.88 -0.09 4.52 -0.00 -1.25 -4.87 116.67 121.60 3i9b s ASP 56 Ca 0.32 2.43 -0.01 0.00 -0.00 0.00 0.00 52.55 55.30 3i9b s ASP 56 Cb 0.09 -2.61 0.03 0.00 -0.00 0.00 0.00 42.92 40.42 3i9b s ASP 56 CO -0.15 -0.54 -0.05 -0.63 -0.00 0.00 0.00 175.17 173.81 3i9b s ILE 57 N 0.05 0.80 0.49 0.77 1.01 -0.87 -2.55 121.20 120.91 3i9b s ILE 57 Ca 0.56 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 61.09 3i9b s ILE 57 Cb -0.37 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 3i9b s ILE 57 CO 0.39 0.33 0.07 -1.61 0.00 0.00 0.00 174.94 174.12 3i9b s GLU 58 N 1.73 2.17 -0.07 2.79 2.02 -0.67 -0.55 118.70 126.12 3i9b s GLU 58 Ca 0.04 -2.27 -0.30 0.00 0.02 0.00 0.00 54.97 52.46 3i9b s GLU 58 Cb -0.13 -1.66 0.09 0.00 0.10 0.00 0.00 34.13 32.54 3i9b s GLU 58 CO -0.06 -0.33 0.79 1.03 0.02 0.00 0.00 175.26 176.70 3i9b s ARG 59 N -3.91 0.91 -0.11 1.61 0.52 -1.22 -2.07 118.95 114.68 3i9b s ARG 59 Ca 0.16 0.15 0.09 0.00 -0.52 0.00 0.00 55.73 55.62 3i9b s ARG 59 Cb 0.02 0.43 0.21 0.00 0.52 0.00 0.00 34.95 36.13 3i9b s ARG 59 CO 0.09 -0.30 1.18 0.00 0.02 0.00 0.00 175.30 176.29 3i9b n ALA 60 N 0.72 3.25 -1.39 2.13 0.00 -1.26 -4.60 120.51 119.36 3i9b n ALA 60 Ca -0.16 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.12 3i9b n ALA 60 Cb 0.58 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3i9b n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9b n ALA 61 N -0.38 -2.77 -3.68 0.00 0.00 -1.26 -4.68 120.51 107.74 3i9b n ALA 61 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.00 3i9b n ALA 61 Cb 0.82 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.32 3i9b n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i9b n ASP 62 N 0.00 -5.76 0.00 0.00 9.92 -1.26 -4.88 116.55 114.57 3i9b n ASP 62 Ca 0.00 -0.61 0.00 0.00 -0.53 0.00 0.00 54.79 53.65 3i9b n ASP 62 Cb 0.00 -4.56 0.00 0.00 -0.64 0.00 0.00 41.12 35.92 3i9b n ASP 62 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3i9b n ASN 63 N -2.91 0.00 -2.45 -2.24 4.13 -1.26 -3.49 115.26 107.04 3i9b n ASN 63 Ca 0.02 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.26 3i9b n ASN 63 Cb 0.55 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.78 3i9b n ASN 63 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 3i9b n VAL 64 N -2.36 -8.30 -3.49 2.41 0.24 -1.25 -3.87 118.33 101.71 3i9b n VAL 64 Ca 0.00 1.86 -0.28 0.00 -2.04 0.00 0.00 64.34 63.88 3i9b n VAL 64 Cb 0.00 -4.59 -0.03 0.00 -1.47 0.00 0.00 33.84 27.75 3i9b n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i9b s ALA 65 N -0.38 3.71 -0.45 2.33 0.00 -0.88 -3.42 121.76 122.68 3i9b s ALA 65 Ca -0.07 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.28 3i9b s ALA 65 Cb 0.00 -2.17 0.18 0.00 0.00 0.00 0.00 23.12 21.14 3i9b s ALA 65 CO 0.20 0.32 0.65 0.54 0.00 0.00 0.00 175.76 177.46 3i9b s VAL 66 N -2.00 -0.96 -1.13 0.00 0.11 -1.20 -1.67 120.40 113.55 3i9b s VAL 66 Ca 0.41 -0.40 -0.13 0.00 -2.93 0.00 0.00 61.98 58.94 3i9b s VAL 66 Cb -0.11 -0.04 0.21 0.00 -1.53 0.00 0.00 36.38 34.91 3i9b s VAL 66 CO 0.30 -0.03 1.26 -0.89 -3.33 0.00 0.00 175.10 172.40 3i9b s THR 67 N 1.49 5.37 0.51 5.04 2.01 -1.06 -2.37 115.64 126.64 3i9b s THR 67 Ca 0.21 -2.81 -0.23 0.00 0.31 0.00 0.00 61.69 59.18 3i9b s THR 67 Cb -0.03 -4.77 -0.06 0.00 0.01 0.00 0.00 72.50 67.65 3i9b s THR 67 CO -0.06 -1.43 1.31 0.52 -0.69 0.00 0.00 174.62 174.27 3i9b n VAL 68 N 4.00 3.44 -4.57 3.82 0.31 -1.25 -3.91 118.33 120.16 3i9b n VAL 68 Ca 0.30 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.83 3i9b n VAL 68 Cb 0.42 -1.62 -0.13 0.00 -0.91 0.00 0.00 33.84 31.60 3i9b n VAL 68 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3i9b s HIS 69 N -1.28 2.42 -0.07 3.52 3.76 -0.88 -1.57 115.29 121.20 3i9b s HIS 69 Ca 0.69 -0.33 -0.23 0.00 -0.15 0.00 0.00 55.06 55.03 3i9b s HIS 69 Cb -0.44 -1.36 0.05 0.00 1.11 0.00 0.00 32.58 31.94 3i9b s HIS 69 CO 0.52 0.27 0.53 0.08 -0.85 0.00 0.00 174.74 175.29 3i9b s VAL 70 N -0.98 0.02 0.06 -0.90 1.01 -0.11 -3.08 120.40 116.42 3i9b s VAL 70 Ca 0.14 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 62.07 3i9b s VAL 70 Cb -0.10 -0.82 -0.08 0.00 0.00 0.00 0.00 36.38 35.38 3i9b s VAL 70 CO 0.06 -0.09 1.41 0.00 0.00 0.00 0.00 175.10 176.48 3i9b h ALA 71 N 3.82 0.58 -2.32 5.51 0.00 -1.80 1.36 119.26 126.40 3i9b h ALA 71 Ca -0.28 -0.68 -0.52 0.00 0.00 0.00 0.00 54.91 53.43 3i9b h ALA 71 Cb 1.16 -0.12 -0.36 0.00 0.00 0.00 0.00 17.79 18.47 3i9b h ALA 71 CO 0.34 0.94 -0.83 0.15 0.00 0.00 0.00 179.25 179.85 3i9b s LYS 72 N -2.97 0.66 0.00 0.00 3.01 -1.26 -3.90 119.74 115.28 3i9b s LYS 72 Ca 0.02 -1.37 -0.00 0.00 -1.01 0.00 0.00 55.97 53.60 3i9b s LYS 72 Cb 0.10 -1.13 -0.01 0.00 -1.01 0.00 0.00 37.83 35.78 3i9b s LYS 72 CO 0.78 -1.25 1.14 -0.35 0.51 0.00 0.00 175.35 176.18 3i9b n PRO 73 N 3.79 0.57 -0.59 -1.68 -0.04 -1.26 -4.55 135.00 131.24 3i9b n PRO 73 Ca 0.16 -0.02 0.47 0.00 -0.04 0.00 0.00 63.50 64.06 3i9b n PRO 73 Cb 0.42 -1.25 0.76 0.00 -0.04 0.00 0.00 33.50 33.39 3i9b n PRO 73 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3i9b h GLY 74 N 3.54 0.57 -7.59 0.55 0.00 -1.95 -3.12 103.07 95.06 3i9b h GLY 74 Ca 0.00 -0.04 -0.73 0.00 0.00 0.00 0.00 47.33 46.57 3i9b h GLY 74 CO 0.01 -0.19 0.62 -1.34 0.00 0.00 0.00 176.54 175.64 3i9b s VAL 75 N -5.04 5.05 0.00 4.60 -7.23 -1.26 -4.06 120.40 112.46 3i9b s VAL 75 Ca -0.06 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 3i9b s VAL 75 Cb 0.28 -4.69 0.00 0.00 0.56 0.00 0.00 36.38 32.54 3i9b s VAL 75 CO 0.86 -1.36 0.00 0.52 -0.31 0.00 0.00 175.10 174.82 3i9b n VAL 76 N 4.91 0.00 0.00 1.32 0.31 -1.18 -4.92 118.33 118.76 3i9b n VAL 76 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 3i9b n VAL 76 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 3i9b n VAL 76 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3i9b n ILE 77 N -0.33 0.00 0.00 2.52 -5.35 -1.26 -4.44 119.36 110.50 3i9b n ILE 77 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3i9b n ILE 77 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3i9b n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i9b n GLY 78 N 0.64 0.00 0.00 3.28 0.00 -1.26 -3.95 105.19 103.90 3i9b n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9b n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9b n ARG 79 N 0.00 0.00 -0.08 1.61 5.12 -1.26 0.19 116.66 122.24 3i9b n ARG 79 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i9b n ARG 79 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i9b n ARG 79 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i9b n GLY 80 N -0.05 1.23 0.07 -0.13 0.00 -1.26 -3.18 105.19 101.86 3i9b n GLY 80 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3i9b n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9b n GLY 81 N 1.03 4.27 7.00 -0.02 0.00 0.50 -5.12 105.19 112.85 3i9b n GLY 81 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3i9b n GLY 81 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i9b n GLU 82 N -1.19 0.00 -1.15 1.61 4.07 -1.19 -4.80 120.64 117.99 3i9b n GLU 82 Ca 0.12 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.18 3i9b n GLU 82 Cb 0.57 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.93 3i9b n GLU 82 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3i9b n ARG 83 N 1.55 -1.13 0.07 5.31 3.00 -1.26 -3.96 116.66 120.24 3i9b n ARG 83 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 3i9b n ARG 83 Cb 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 32.46 28.11 3i9b n ARG 83 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3i9b n ILE 84 N -1.32 0.00 0.00 5.15 2.08 -1.26 -4.14 119.36 119.86 3i9b n ILE 84 Ca -0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.27 3i9b n ILE 84 Cb 0.15 -0.02 0.00 0.00 -0.75 0.00 0.00 39.64 39.02 3i9b n ILE 84 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3i9b n ARG 85 N -2.79 0.00 0.13 0.38 3.00 -1.25 0.36 116.66 116.49 3i9b n ARG 85 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.85 58.04 3i9b n ARG 85 Cb 0.00 0.00 0.73 0.00 0.00 0.00 0.00 32.46 33.19 3i9b n ARG 85 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 3i9b h VAL 86 N 0.00 0.28 0.00 5.15 3.04 -1.97 -1.63 116.25 121.11 3i9b h VAL 86 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3i9b h VAL 86 Cb 0.00 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 3i9b h VAL 86 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.74 3i9b n LEU 87 N -3.51 0.02 -0.73 3.16 7.99 -0.93 -0.24 117.00 122.76 3i9b n LEU 87 Ca 0.06 0.90 0.00 0.00 -0.01 0.00 0.00 56.01 56.96 3i9b n LEU 87 Cb 0.62 -0.47 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 3i9b n LEU 87 CO 0.24 -0.47 0.14 -2.11 -1.51 0.00 0.00 177.39 173.68 3i9b n ARG 88 N -1.92 0.39 0.00 3.23 1.85 1.14 -2.94 116.66 118.41 3i9b n ARG 88 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3i9b n ARG 88 Cb 0.00 -1.25 0.00 0.00 -1.05 0.00 0.00 32.46 30.16 3i9b n ARG 88 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3i9b n GLU 89 N 0.53 0.00 -0.36 2.89 2.13 -0.93 -4.71 120.64 120.20 3i9b n GLU 89 Ca 0.00 0.00 0.37 0.00 0.66 0.00 0.00 57.16 58.19 3i9b n GLU 89 Cb 0.14 -0.54 0.66 0.00 0.27 0.00 0.00 31.44 31.97 3i9b n GLU 89 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3i9b h GLU 90 N 0.00 0.00 -0.98 5.31 4.57 -0.50 0.52 114.58 123.50 3i9b h GLU 90 Ca 0.00 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.34 3i9b h GLU 90 Cb 0.37 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.86 3i9b h GLU 90 CO 0.00 0.00 0.59 -0.07 -1.18 0.00 0.00 179.01 178.35 3i9b h LEU 91 N 0.00 0.80 -2.82 1.64 4.07 -1.84 -2.58 115.31 114.59 3i9b h LEU 91 Ca 0.62 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.66 3i9b h LEU 91 Cb 2.88 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 44.55 3i9b h LEU 91 CO -0.01 0.33 0.00 0.00 -1.08 0.00 0.00 178.44 177.69 3i9b n ALA 92 N -2.35 2.58 -2.15 1.53 0.00 0.18 -3.64 120.51 116.67 3i9b n ALA 92 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.37 3i9b n ALA 92 Cb 0.49 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.72 3i9b n ALA 92 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i9b n LYS 93 N 1.29 3.36 0.00 0.00 3.00 -0.97 -3.40 118.16 121.44 3i9b n LYS 93 Ca 0.00 -4.17 0.00 0.00 -0.00 0.00 0.00 58.31 54.14 3i9b n LYS 93 Cb 0.29 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 33.05 3i9b n LYS 93 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 3i9b n LEU 94 N -0.61 0.00 -0.04 3.14 -0.00 -1.26 -4.99 117.00 113.25 3i9b n LEU 94 Ca 0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 56.41 3i9b n LEU 94 Cb 0.73 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.13 3i9b n LEU 94 CO 0.42 0.00 -0.37 0.41 -0.00 0.00 0.00 177.39 177.85 3i9b n THR 95 N 0.00 1.16 0.00 1.47 -1.04 -1.24 -4.99 114.28 109.64 3i9b n THR 95 Ca 0.00 0.25 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 3i9b n THR 95 Cb 0.00 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 66.55 3i9b n THR 95 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i9b n GLY 96 N 2.15 0.74 3.53 3.41 0.00 -1.22 -4.95 105.19 108.86 3i9b n GLY 96 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3i9b n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9b n LYS 97 N 0.00 -0.35 -1.34 1.61 5.02 -1.26 -4.73 118.16 117.11 3i9b n LYS 97 Ca 0.00 -0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.13 3i9b n LYS 97 Cb 0.00 -2.09 -0.08 0.00 -0.02 0.00 0.00 35.03 32.84 3i9b n LYS 97 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3i9b n ASN 98 N -2.59 0.21 -4.68 4.39 2.85 -1.23 -4.87 115.26 109.35 3i9b n ASN 98 Ca 0.09 -2.11 -0.46 0.00 -0.11 0.00 0.00 54.58 52.00 3i9b n ASN 98 Cb 0.53 -1.29 -0.04 0.00 1.24 0.00 0.00 39.78 40.22 3i9b n ASN 98 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 3i9b n VAL 99 N 7.46 0.36 -2.79 3.44 0.24 -1.26 -4.50 118.33 121.27 3i9b n VAL 99 Ca 0.28 -0.06 -0.23 0.00 -2.04 0.00 0.00 64.34 62.28 3i9b n VAL 99 Cb 0.47 -1.87 -0.02 0.00 -1.47 0.00 0.00 33.84 30.96 3i9b n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i9b n ALA 100 N 5.45 4.22 -2.14 2.33 0.00 -1.22 -5.03 120.51 124.11 3i9b n ALA 100 Ca 0.19 -4.17 -0.30 0.00 0.00 0.00 0.00 53.44 49.17 3i9b n ALA 100 Cb 0.32 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 3i9b n ALA 100 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3i9b s LEU 101 N -3.29 3.18 0.00 0.00 0.20 -1.26 -3.22 118.68 114.30 3i9b s LEU 101 Ca 0.44 -1.41 0.00 0.00 0.69 0.00 0.00 54.13 53.85 3i9b s LEU 101 Cb 0.35 -2.58 0.00 0.00 -0.43 0.00 0.00 46.19 43.54 3i9b s LEU 101 CO -0.12 -2.71 0.00 0.59 -0.29 0.00 0.00 176.35 173.81 3i9b n ASN 102 N 13.41 -0.44 -3.69 3.68 3.02 -1.00 -4.96 115.26 125.27 3i9b n ASN 102 Ca 0.43 -0.48 -0.12 0.00 -0.03 0.00 0.00 54.58 54.38 3i9b n ASN 102 Cb 0.47 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.54 3i9b n ASN 102 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i9b s VAL 103 N -0.70 -0.01 0.05 2.41 1.01 -1.26 -3.94 120.40 117.96 3i9b s VAL 103 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.08 3i9b s VAL 103 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3i9b s VAL 103 CO 0.00 0.01 -0.21 -1.10 0.00 0.00 0.00 175.10 173.80 3i9b s GLN 104 N 0.72 1.41 -0.22 2.72 -1.52 -0.61 -4.99 119.66 117.18 3i9b s GLN 104 Ca -0.04 -0.98 -0.09 0.00 -1.95 0.00 0.00 55.36 52.30 3i9b s GLN 104 Cb -0.05 -1.55 -0.04 0.00 -0.22 0.00 0.00 33.01 31.14 3i9b s GLN 104 CO -0.05 0.39 0.11 -2.00 -0.25 0.00 0.00 175.29 173.49 3i9b s GLU 105 N -1.26 3.99 -0.82 2.91 2.12 -1.21 -0.93 118.70 123.51 3i9b s GLU 105 Ca 0.08 -0.32 -0.08 0.00 0.36 0.00 0.00 54.97 55.01 3i9b s GLU 105 Cb -0.09 -3.39 0.21 0.00 0.26 0.00 0.00 34.13 31.12 3i9b s GLU 105 CO 0.02 0.12 0.72 0.08 -0.54 0.00 0.00 175.26 175.66 3i9b s VAL 106 N 0.84 4.95 0.00 3.70 1.01 0.47 -4.87 120.40 126.50 3i9b s VAL 106 Ca 0.06 -2.93 0.00 0.00 0.00 0.00 0.00 61.98 59.11 3i9b s VAL 106 Cb -0.13 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.17 3i9b s VAL 106 CO 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 175.10 174.11 3i9b n GLN 107 N 3.44 0.00 -3.09 2.72 6.02 -1.26 -3.97 117.38 121.24 3i9b n GLN 107 Ca 0.14 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.72 3i9b n GLN 107 Cb 0.42 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.62 3i9b n GLN 107 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3i9b s ASN 108 N 0.00 6.52 0.14 1.08 3.84 -1.26 -4.92 114.94 120.34 3i9b s ASN 108 Ca 0.00 0.45 0.07 0.00 0.21 0.00 0.00 52.86 53.60 3i9b s ASN 108 Cb 0.00 -2.34 -0.14 0.00 -0.55 0.00 0.00 41.25 38.21 3i9b s ASN 108 CO 0.00 -0.50 1.32 -0.65 -2.79 0.00 0.00 177.10 174.48 3i9b h PRO 109 N 8.18 0.00 -0.12 0.43 0.11 -1.94 -3.24 132.00 135.43 3i9b h PRO 109 Ca -0.26 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.88 3i9b h PRO 109 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3i9b h PRO 109 CO 0.81 0.96 0.23 -0.91 -0.21 0.00 0.00 178.00 178.88 3i9b h ASN 110 N 0.00 0.00 0.15 -2.05 2.35 -1.94 0.15 115.58 114.25 3i9b h ASN 110 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3i9b h ASN 110 Cb 1.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.06 3i9b h ASN 110 CO 0.12 0.00 -0.79 0.18 -1.65 0.00 0.00 177.43 175.30 3i9b n LEU 111 N -3.39 0.93 -4.66 1.61 4.77 -1.22 -4.50 117.00 110.54 3i9b n LEU 111 Ca 0.00 -0.37 -0.41 0.00 -0.03 0.00 0.00 56.01 55.21 3i9b n LEU 111 Cb 0.32 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 3i9b n LEU 111 CO 0.22 0.22 0.53 -0.55 -1.33 0.00 0.00 177.39 176.48 3i9b s SER 112 N -2.94 6.83 0.00 -1.43 0.15 0.04 -4.94 113.70 111.42 3i9b s SER 112 Ca 0.10 1.02 -0.03 0.00 0.70 0.00 0.00 55.95 57.74 3i9b s SER 112 Cb 0.17 -2.41 -0.02 0.00 -1.71 0.00 0.00 66.02 62.05 3i9b s SER 112 CO 0.79 -0.37 0.97 0.00 1.20 0.00 0.00 173.24 175.83 3i9b h ALA 113 N 7.45 -0.95 0.00 5.45 0.00 -1.85 -2.12 119.26 127.23 3i9b h ALA 113 Ca -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3i9b h ALA 113 Cb 1.13 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i9b h ALA 113 CO 0.82 -0.95 0.72 -1.35 0.00 0.00 0.00 179.25 178.50 3i9b h PRO 114 N -0.12 0.00 0.00 0.00 0.11 -1.86 0.42 132.00 130.55 3i9b h PRO 114 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3i9b h PRO 114 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 3i9b h PRO 114 CO 0.02 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.09 3i9b n LEU 115 N -2.39 1.09 -0.48 2.35 4.77 -1.04 -2.63 117.00 118.68 3i9b n LEU 115 Ca -0.01 0.36 0.39 0.00 -0.03 0.00 0.00 56.01 56.72 3i9b n LEU 115 Cb 0.74 -0.29 0.69 0.00 -2.33 0.00 0.00 43.42 42.23 3i9b n LEU 115 CO 0.04 -0.29 1.30 0.58 -1.33 0.00 0.00 177.39 177.69 3i9b h VAL 116 N 0.00 0.17 -0.06 4.08 2.07 -0.40 0.98 116.25 123.09 3i9b h VAL 116 Ca 0.00 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3i9b h VAL 116 Cb 0.00 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 29.79 3i9b h VAL 116 CO 0.00 0.02 -0.48 0.00 0.02 0.00 0.00 177.57 177.12 3i9b h ALA 117 N 1.45 -0.78 -0.48 1.67 0.00 -0.31 -1.15 119.26 119.67 3i9b h ALA 117 Ca 0.79 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.53 3i9b h ALA 117 Cb 2.70 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 21.35 3i9b h ALA 117 CO -0.27 -1.03 -0.17 1.96 0.00 0.00 0.00 179.25 179.74 3i9b h GLN 118 N -0.59 0.96 -0.88 0.00 4.20 0.11 -2.44 115.11 116.47 3i9b h GLN 118 Ca 0.04 -0.39 0.35 0.00 0.06 0.00 0.00 58.65 58.71 3i9b h GLN 118 Cb 0.68 -0.04 -0.16 0.00 0.30 0.00 0.00 27.48 28.26 3i9b h GLN 118 CO -0.38 1.06 0.40 -2.13 -0.67 0.00 0.00 178.83 177.11 3i9b n ARG 119 N -4.17 -0.06 -0.09 1.46 0.00 0.57 -0.82 116.66 113.55 3i9b n ARG 119 Ca -0.00 1.24 -0.15 0.00 -0.00 0.00 0.00 57.85 58.94 3i9b n ARG 119 Cb 0.43 -2.18 -0.07 0.00 0.00 0.00 0.00 32.46 30.64 3i9b n ARG 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3i9b n VAL 120 N -5.05 1.49 0.00 5.15 0.31 -0.73 -3.57 118.33 115.93 3i9b n VAL 120 Ca 0.31 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 3i9b n VAL 120 Cb 1.06 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 3i9b n VAL 120 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i9b n ALA 121 N -3.66 0.48 -0.08 3.52 0.00 -0.78 0.95 120.51 120.94 3i9b n ALA 121 Ca -0.24 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 3i9b n ALA 121 Cb 0.53 -0.45 -0.12 0.00 0.00 0.00 0.00 19.45 19.42 3i9b n ALA 121 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i9b n GLU 122 N -1.14 0.64 0.00 0.00 1.02 -0.00 -3.97 120.64 117.17 3i9b n GLU 122 Ca 0.00 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 3i9b n GLU 122 Cb 0.23 -1.66 0.02 0.00 -0.02 0.00 0.00 31.44 30.01 3i9b n GLU 122 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3i9b n GLN 123 N -3.98 0.43 -0.01 3.49 6.02 0.27 -1.36 117.38 122.24 3i9b n GLN 123 Ca -0.38 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.66 3i9b n GLN 123 Cb 0.86 -1.02 -0.10 0.00 1.02 0.00 0.00 30.24 31.00 3i9b n GLN 123 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3i9b n ILE 124 N -0.52 0.10 0.63 5.09 -0.00 -1.02 -1.75 119.36 121.88 3i9b n ILE 124 Ca 0.01 -0.33 0.12 0.00 -0.00 0.00 0.00 62.75 62.55 3i9b n ILE 124 Cb 0.00 0.10 0.14 0.00 -0.00 0.00 0.00 39.64 39.88 3i9b n ILE 124 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3i9b n GLU 125 N -2.01 0.25 0.00 0.38 1.02 -0.46 -3.52 120.64 116.30 3i9b n GLU 125 Ca -0.04 0.05 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 3i9b n GLU 125 Cb 0.41 -1.63 0.46 0.00 -0.02 0.00 0.00 31.44 30.65 3i9b n GLU 125 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i9b n ARG 126 N -1.98 1.24 -1.53 3.49 1.74 -0.92 -4.93 116.66 113.76 3i9b n ARG 126 Ca 0.03 -0.71 -0.18 0.00 -0.77 0.00 0.00 57.85 56.21 3i9b n ARG 126 Cb 0.42 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.30 3i9b n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i9b n ARG 127 N -0.26 -1.36 -1.08 5.56 3.00 -1.23 -4.95 116.66 116.33 3i9b n ARG 127 Ca 0.16 1.15 -0.31 0.00 -0.01 0.00 0.00 57.85 58.83 3i9b n ARG 127 Cb 0.35 -5.47 0.12 0.00 0.00 0.00 0.00 32.46 27.46 3i9b n ARG 127 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3i9b s PHE 128 N -2.64 2.22 -0.86 -1.55 0.40 -0.72 -4.83 117.98 109.99 3i9b s PHE 128 Ca 0.00 1.64 -0.26 0.00 -0.60 0.00 0.00 56.93 57.71 3i9b s PHE 128 Cb 0.00 -3.17 -0.16 0.00 0.51 0.00 0.00 43.02 40.20 3i9b s PHE 128 CO 0.00 -2.19 2.34 0.00 0.70 0.00 0.00 175.22 176.07 3i9b s ALA 129 N -2.76 0.64 0.01 5.36 0.00 -1.26 -4.85 121.76 118.91 3i9b s ALA 129 Ca 0.64 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 3i9b s ALA 129 Cb -0.20 -4.61 -0.01 0.00 0.00 0.00 0.00 23.12 18.31 3i9b s ALA 129 CO 0.56 -6.16 0.85 0.28 0.00 0.00 0.00 175.76 171.28 3i9b n VAL 130 N 8.85 -0.06 0.28 0.00 0.31 -1.26 0.96 118.33 127.41 3i9b n VAL 130 Ca 0.45 1.28 0.02 0.00 -0.01 0.00 0.00 64.34 66.09 3i9b n VAL 130 Cb 0.44 -1.69 0.14 0.00 -0.91 0.00 0.00 33.84 31.82 3i9b n VAL 130 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i9b n ARG 131 N -3.04 0.14 -0.06 5.55 0.63 -1.26 -1.56 116.66 117.06 3i9b n ARG 131 Ca 0.00 0.02 -0.19 0.00 -0.92 0.00 0.00 57.85 56.76 3i9b n ARG 131 Cb 0.02 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.30 3i9b n ARG 131 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3i9b n ARG 132 N -1.02 0.71 0.18 -0.14 0.63 0.27 -3.30 116.66 113.99 3i9b n ARG 132 Ca 0.03 0.21 0.03 0.00 -0.92 0.00 0.00 57.85 57.20 3i9b n ARG 132 Cb 0.02 -1.62 0.39 0.00 0.45 0.00 0.00 32.46 31.69 3i9b n ARG 132 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i9b h ALA 133 N 0.07 1.45 -0.16 5.13 0.00 -0.38 -1.82 119.26 123.55 3i9b h ALA 133 Ca -0.49 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.05 3i9b h ALA 133 Cb 1.98 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 3i9b h ALA 133 CO 0.01 0.41 -0.21 0.82 0.00 0.00 0.00 179.25 180.28 3i9b h ILE 134 N 0.03 1.35 -0.31 0.00 1.08 -1.64 0.62 117.51 118.64 3i9b h ILE 134 Ca 0.00 -1.41 0.07 0.00 -0.39 0.00 0.00 64.86 63.14 3i9b h ILE 134 Cb 0.56 1.90 -0.01 0.00 -3.07 0.00 0.00 36.82 36.20 3i9b h ILE 134 CO 0.04 0.42 0.22 0.11 -0.69 0.00 0.00 178.15 178.25 3i9b h LYS 135 N 0.05 0.08 0.00 2.37 1.79 -1.39 -2.56 116.57 116.91 3i9b h LYS 135 Ca 0.02 -0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 3i9b h LYS 135 Cb 0.77 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 3i9b h LYS 135 CO 0.05 0.05 -1.12 1.04 -1.08 0.00 0.00 179.45 178.39 3i9b n GLN 136 N -4.46 0.52 -0.44 3.15 6.02 -0.75 -2.75 117.38 118.67 3i9b n GLN 136 Ca 0.04 0.38 0.41 0.00 -0.01 0.00 0.00 57.00 57.82 3i9b n GLN 136 Cb 0.33 -1.58 0.73 0.00 1.02 0.00 0.00 30.24 30.74 3i9b n GLN 136 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i9b h ALA 137 N -0.92 3.35 0.00 -1.58 0.00 0.22 2.98 119.26 123.32 3i9b h ALA 137 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i9b h ALA 137 Cb 0.98 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3i9b h ALA 137 CO -0.10 -1.88 -0.95 0.28 0.00 0.00 0.00 179.25 176.60 3i9b n VAL 138 N -3.88 0.00 0.04 0.00 0.31 -0.97 -3.63 118.33 110.21 3i9b n VAL 138 Ca 0.32 -0.07 0.05 0.00 -0.01 0.00 0.00 64.34 64.63 3i9b n VAL 138 Cb 1.58 0.95 -0.07 0.00 -0.91 0.00 0.00 33.84 35.39 3i9b n VAL 138 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3i9b n GLN 139 N -1.49 0.63 0.09 5.55 -0.06 0.92 -3.93 117.38 119.09 3i9b n GLN 139 Ca 0.03 0.11 -0.23 0.00 -2.00 0.00 0.00 57.00 54.92 3i9b n GLN 139 Cb 0.31 -1.75 -0.15 0.00 -4.06 0.00 0.00 30.24 24.59 3i9b n GLN 139 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 3i9b h ARG 140 N 0.00 0.41 0.00 3.69 2.43 0.55 -3.21 114.38 118.25 3i9b h ARG 140 Ca -0.11 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.36 3i9b h ARG 140 Cb 1.36 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 3i9b h ARG 140 CO 0.02 1.33 0.00 0.28 -1.51 0.00 0.00 179.97 180.10 3i9b n VAL 141 N -3.86 1.36 -0.28 0.20 0.31 -1.24 -1.15 118.33 113.66 3i9b n VAL 141 Ca -0.18 0.34 0.09 0.00 -0.01 0.00 0.00 64.34 64.58 3i9b n VAL 141 Cb 0.98 -1.18 0.25 0.00 -0.91 0.00 0.00 33.84 32.99 3i9b n VAL 141 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3i9b n MET 142 N -1.50 2.78 -0.00 5.55 2.81 -1.21 -3.59 117.12 121.96 3i9b n MET 142 Ca 0.02 -2.40 0.03 0.00 -1.81 0.00 0.00 57.70 53.54 3i9b n MET 142 Cb 0.11 -1.44 -0.04 0.00 -0.71 0.00 0.00 33.22 31.14 3i9b n MET 142 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3i9b n GLU 143 N 1.17 3.42 -1.08 0.03 4.07 -0.30 -4.56 120.64 123.39 3i9b n GLU 143 Ca 0.19 -0.02 -0.22 0.00 -0.06 0.00 0.00 57.16 57.06 3i9b n GLU 143 Cb 0.54 -0.91 0.15 0.00 -0.06 0.00 0.00 31.44 31.16 3i9b n GLU 143 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3i9b n SER 144 N -1.33 3.97 0.00 4.31 3.41 -1.14 -4.90 113.62 117.94 3i9b n SER 144 Ca 0.00 -3.41 0.00 0.00 -0.26 0.00 0.00 58.87 55.20 3i9b n SER 144 Cb 0.12 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 3i9b n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9b n GLY 145 N -0.90 2.50 3.65 5.00 0.00 -1.26 -4.92 105.19 109.26 3i9b n GLY 145 Ca 0.52 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 3i9b n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9b n ALA 146 N -0.70 0.57 0.82 4.61 0.00 -1.24 -4.94 120.51 119.64 3i9b n ALA 146 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.57 3i9b n ALA 146 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 3i9b n ALA 146 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i9b n LYS 147 N -1.04 1.43 -3.63 0.00 4.76 -0.49 -4.79 118.16 114.39 3i9b n LYS 147 Ca 0.13 -0.64 -0.11 0.00 -2.87 0.00 0.00 58.31 54.82 3i9b n LYS 147 Cb 0.46 -1.34 -0.07 0.00 -1.84 0.00 0.00 35.03 32.24 3i9b n LYS 147 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3i9b s GLY 148 N -2.26 -0.38 0.10 0.72 0.00 -0.22 -2.74 107.32 102.53 3i9b s GLY 148 Ca 0.13 2.36 -0.14 0.00 0.00 0.00 0.00 44.72 47.08 3i9b s GLY 148 CO 0.54 1.90 0.32 0.00 0.00 0.00 0.00 173.10 175.86 3i9b s ALA 149 N 0.51 -0.68 -0.29 3.20 0.00 -0.54 0.95 121.76 124.90 3i9b s ALA 149 Ca -0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.54 3i9b s ALA 149 Cb -0.05 0.56 0.18 0.00 0.00 0.00 0.00 23.12 23.81 3i9b s ALA 149 CO -0.05 -0.56 1.29 0.21 0.00 0.00 0.00 175.76 176.66 3i9b s LYS 150 N -3.57 0.15 0.03 0.00 2.20 -0.39 -0.84 119.74 117.32 3i9b s LYS 150 Ca 0.02 0.21 0.05 0.00 -0.36 0.00 0.00 55.97 55.89 3i9b s LYS 150 Cb 0.02 0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 3i9b s LYS 150 CO -0.10 -0.02 -0.14 0.08 -0.36 0.00 0.00 175.35 174.81 3i9b s VAL 151 N 0.42 1.12 -0.53 4.02 1.01 -0.33 -1.04 120.40 125.08 3i9b s VAL 151 Ca 0.02 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3i9b s VAL 151 Cb -0.04 -1.00 0.16 0.00 0.00 0.00 0.00 36.38 35.50 3i9b s VAL 151 CO -0.13 0.09 0.36 -0.63 0.00 0.00 0.00 175.10 174.80 3i9b s ILE 152 N -0.70 1.65 0.43 2.22 1.01 -0.69 -3.43 121.20 121.69 3i9b s ILE 152 Ca 0.03 -3.21 -0.23 0.00 0.00 0.00 0.00 60.65 57.23 3i9b s ILE 152 Cb -0.07 -2.11 -0.08 0.00 0.01 0.00 0.00 42.46 40.20 3i9b s ILE 152 CO 0.01 -1.03 1.11 -0.69 0.00 0.00 0.00 174.94 174.33 3i9b s VAL 153 N -0.39 3.41 -0.38 2.92 1.01 -1.24 -2.89 120.40 122.83 3i9b s VAL 153 Ca 0.25 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.31 3i9b s VAL 153 Cb -0.09 -3.54 0.12 0.00 0.00 0.00 0.00 36.38 32.86 3i9b s VAL 153 CO -0.12 -0.01 0.16 -0.94 0.00 0.00 0.00 175.10 174.19 3i9b s SER 154 N -1.47 4.03 0.06 3.32 1.04 -0.81 -3.27 113.70 116.60 3i9b s SER 154 Ca 0.61 -2.23 0.00 0.00 0.48 0.00 0.00 55.95 54.80 3i9b s SER 154 Cb -0.25 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.74 3i9b s SER 154 CO 0.31 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.80 3i9b n GLY 155 N 4.09 -3.63 1.67 7.32 0.00 -1.02 -4.34 105.19 109.28 3i9b n GLY 155 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3i9b n GLY 155 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i9b n ARG 156 N -0.28 0.00 -1.61 1.61 0.63 -1.26 -4.70 116.66 111.05 3i9b n ARG 156 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 3i9b n ARG 156 Cb 0.00 -2.89 0.04 0.00 0.45 0.00 0.00 32.46 30.06 3i9b n ARG 156 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3i9b n ILE 157 N -3.27 3.28 0.00 5.15 5.41 -1.26 -1.27 119.36 127.40 3i9b n ILE 157 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 3i9b n ILE 157 Cb 0.45 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 3i9b n ILE 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i9b n GLY 158 N 1.29 0.00 0.00 7.39 0.00 -1.26 -4.52 105.19 108.08 3i9b n GLY 158 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i9b n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9b n GLY 159 N -1.43 -1.18 2.34 -0.02 0.00 -0.39 -5.12 105.19 99.39 3i9b n GLY 159 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3i9b n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9b n ALA 160 N -0.28 -2.01 -0.59 4.61 0.00 -1.26 -4.85 120.51 116.12 3i9b n ALA 160 Ca 0.00 0.49 -0.19 0.00 0.00 0.00 0.00 53.44 53.74 3i9b n ALA 160 Cb 0.00 -1.48 -0.00 0.00 0.00 0.00 0.00 19.45 17.97 3i9b n ALA 160 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i9b n GLU 161 N 1.84 0.00 0.00 0.00 0.00 -1.26 -4.81 120.64 116.40 3i9b n GLU 161 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3i9b n GLU 161 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 31.44 30.99 3i9b n GLU 161 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 3i9b n GLN 162 N 0.57 0.00 -1.34 5.31 -0.06 -1.26 -5.02 117.38 115.58 3i9b n GLN 162 Ca 0.06 0.00 -0.57 0.00 -2.00 0.00 0.00 57.00 54.49 3i9b n GLN 162 Cb 0.17 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.25 3i9b n GLN 162 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3i9b n ALA 163 N 0.00 0.50 -2.06 1.69 0.00 -1.26 -4.20 120.51 115.18 3i9b n ALA 163 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3i9b n ALA 163 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.20 3i9b n ALA 163 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i9b n ARG 164 N 7.65 2.24 0.00 0.00 0.63 -1.26 -4.76 116.66 121.16 3i9b n ARG 164 Ca 0.49 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 3i9b n ARG 164 Cb 0.06 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.97 3i9b n ARG 164 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 3i9b n THR 165 N 0.00 0.00 -2.91 5.15 5.66 -1.26 -2.44 114.28 118.48 3i9b n THR 165 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 3i9b n THR 165 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 3i9b n THR 165 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3i9b s GLU 166 N 0.00 4.63 -0.08 1.09 2.56 -1.20 -4.96 118.70 120.73 3i9b s GLU 166 Ca 0.00 1.24 0.02 0.00 0.00 0.00 0.00 54.97 56.23 3i9b s GLU 166 Cb 0.00 -3.29 -0.02 0.00 2.00 0.00 0.00 34.13 32.82 3i9b s GLU 166 CO 0.00 0.49 -0.15 -0.46 -0.56 0.00 0.00 175.26 174.57 3i9b s TRP 167 N -0.88 2.71 -0.29 5.30 -0.00 -1.26 -3.66 118.94 120.85 3i9b s TRP 167 Ca 0.38 -0.42 -0.14 0.00 -0.00 0.00 0.00 56.10 55.92 3i9b s TRP 167 Cb -0.23 -1.71 0.13 0.00 -0.00 0.00 0.00 33.47 31.66 3i9b s TRP 167 CO 0.27 -0.02 0.84 0.00 -0.00 0.00 0.00 176.95 178.04 3i9b s ALA 168 N -0.22 -2.26 0.22 5.86 0.00 -1.22 -5.07 121.76 119.07 3i9b s ALA 168 Ca 0.00 2.24 -0.16 0.00 0.00 0.00 0.00 51.96 54.05 3i9b s ALA 168 Cb -0.13 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.24 3i9b s ALA 168 CO 0.03 -0.67 0.51 0.00 0.00 0.00 0.00 175.76 175.63 3i9b s ALA 169 N 2.09 -0.65 0.09 0.00 0.00 -1.26 -1.19 121.76 120.84 3i9b s ALA 169 Ca -0.07 -0.51 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 3i9b s ALA 169 Cb -0.07 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.98 3i9b s ALA 169 CO -0.18 -0.83 0.22 -1.14 0.00 0.00 0.00 175.76 173.83 3i9b s GLN 170 N -3.93 0.87 3.35 0.00 0.74 -0.02 -4.96 119.66 115.71 3i9b s GLN 170 Ca 0.14 -0.91 0.00 0.00 0.05 0.00 0.00 55.36 54.64 3i9b s GLN 170 Cb -0.01 0.36 0.00 0.00 1.10 0.00 0.00 33.01 34.46 3i9b s GLN 170 CO 0.02 -0.29 0.00 0.41 -0.55 0.00 0.00 175.29 174.89 3i9b n GLY 171 N -0.06 2.09 3.54 2.59 0.00 -1.26 -1.47 105.19 110.61 3i9b n GLY 171 Ca -0.15 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 3i9b n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9b s ARG 172 N 0.00 0.82 -0.40 1.61 0.52 -1.11 -4.95 118.95 115.44 3i9b s ARG 172 Ca 0.00 0.06 0.10 0.00 -0.52 0.00 0.00 55.73 55.37 3i9b s ARG 172 Cb 0.00 0.38 0.37 0.00 0.52 0.00 0.00 34.95 36.23 3i9b s ARG 172 CO 0.00 -0.29 1.13 0.28 0.02 0.00 0.00 175.30 176.44 3i9b n VAL 173 N 0.53 0.14 -1.44 3.52 0.31 -1.26 -3.87 118.33 116.26 3i9b n VAL 173 Ca -0.13 -2.18 -0.12 0.00 -0.01 0.00 0.00 64.34 61.90 3i9b n VAL 173 Cb 0.59 0.93 -0.10 0.00 -0.91 0.00 0.00 33.84 34.35 3i9b n VAL 173 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3i9b n PRO 174 N -0.08 0.17 0.00 5.55 -0.02 -1.26 -4.70 135.00 134.66 3i9b n PRO 174 Ca 0.06 -0.92 0.04 0.00 -2.02 0.00 0.00 63.50 60.66 3i9b n PRO 174 Cb 0.77 -2.88 0.25 0.00 -0.02 0.00 0.00 33.50 31.63 3i9b n PRO 174 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i9b n LEU 175 N 14.55 0.00 -0.04 2.45 4.77 -1.26 -3.27 117.00 134.20 3i9b n LEU 175 Ca 0.37 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.30 3i9b n LEU 175 Cb 0.43 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3i9b n LEU 175 CO 0.62 0.00 -0.76 1.41 -1.33 0.00 0.00 177.39 177.33 3i9b n HIS 176 N -0.70 0.00 -2.72 -1.77 8.25 -1.26 -4.96 115.22 112.05 3i9b n HIS 176 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 3i9b n HIS 176 Cb 0.03 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 3i9b n HIS 176 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3i9b s THR 177 N -2.17 4.38 0.11 1.59 -1.32 -1.20 -4.96 115.64 112.06 3i9b s THR 177 Ca -0.08 1.05 -0.21 0.00 -1.21 0.00 0.00 61.69 61.24 3i9b s THR 177 Cb 0.03 -4.49 -0.05 0.00 -1.51 0.00 0.00 72.50 66.48 3i9b s THR 177 CO 0.24 -0.84 1.10 0.18 -2.21 0.00 0.00 174.62 173.09 3i9b n LEU 178 N 7.36 -0.73 -2.87 9.08 7.99 -1.26 -2.38 117.00 134.19 3i9b n LEU 178 Ca 0.09 1.27 -0.08 0.00 -0.01 0.00 0.00 56.01 57.28 3i9b n LEU 178 Cb 0.49 -0.18 -0.02 0.00 -0.11 0.00 0.00 43.42 43.60 3i9b n LEU 178 CO 0.66 -1.02 1.40 -2.11 -1.51 0.00 0.00 177.39 174.81 3i9b n ARG 179 N -4.79 0.87 -0.01 3.23 1.85 -1.26 -4.25 116.66 112.30 3i9b n ARG 179 Ca 0.01 -0.75 -0.00 0.00 -1.00 0.00 0.00 57.85 56.11 3i9b n ARG 179 Cb 0.18 -2.04 -0.00 0.00 -1.05 0.00 0.00 32.46 29.55 3i9b n ARG 179 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i9b h ALA 180 N 6.59 0.00 -0.67 2.89 0.00 -1.78 -3.42 119.26 122.88 3i9b h ALA 180 Ca 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i9b h ALA 180 Cb 0.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i9b h ALA 180 CO 0.98 0.03 -0.00 -1.71 0.00 0.00 0.00 179.25 178.55 3i9b n ASN 181 N -2.44 -1.67 -4.89 0.00 5.15 -1.26 -4.35 115.26 105.80 3i9b n ASN 181 Ca -0.00 -0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.62 3i9b n ASN 181 Cb 0.02 -0.52 -0.05 0.00 -0.53 0.00 0.00 39.78 38.69 3i9b n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i9b s ILE 182 N -2.65 5.47 -0.10 -1.44 1.01 -1.25 -3.26 121.20 118.98 3i9b s ILE 182 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 3i9b s ILE 182 Cb -0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3i9b s ILE 182 CO 0.00 0.49 0.16 -0.62 0.00 0.00 0.00 174.94 174.97 3i9b s ASP 183 N -1.43 6.41 -0.06 3.58 3.68 0.26 -4.86 116.67 124.25 3i9b s ASP 183 Ca 0.20 0.48 0.03 0.00 2.13 0.00 0.00 52.55 55.40 3i9b s ASP 183 Cb -0.12 -2.07 0.01 0.00 -1.45 0.00 0.00 42.92 39.28 3i9b s ASP 183 CO 0.10 0.38 -0.14 -0.47 0.13 0.00 0.00 175.17 175.17 3i9b s TYR 184 N -1.08 1.57 0.08 -5.34 5.04 -1.25 -1.08 117.35 115.29 3i9b s TYR 184 Ca 0.17 -0.52 -0.00 0.00 -2.44 0.00 0.00 57.07 54.28 3i9b s TYR 184 Cb -0.12 -1.10 -0.04 0.00 0.35 0.00 0.00 41.96 41.05 3i9b s TYR 184 CO 0.07 -0.23 -0.02 0.20 -1.34 0.00 0.00 175.55 174.23 3i9b s GLY 185 N 0.37 0.68 -0.07 8.97 0.00 -1.15 -4.35 107.32 111.76 3i9b s GLY 185 Ca -0.10 -1.31 -0.10 0.00 0.00 0.00 0.00 44.72 43.21 3i9b s GLY 185 CO 0.03 -1.36 0.26 -0.12 0.00 0.00 0.00 173.10 171.91 3i9b s PHE 186 N -3.88 -0.24 -0.15 1.90 5.36 -1.26 -1.16 117.98 118.56 3i9b s PHE 186 Ca 0.12 0.54 -0.04 0.00 -0.96 0.00 0.00 56.93 56.60 3i9b s PHE 186 Cb 0.07 0.08 0.06 0.00 -0.34 0.00 0.00 43.02 42.90 3i9b s PHE 186 CO -0.06 -0.20 0.11 0.00 -1.46 0.00 0.00 175.22 173.61 3i9b s ALA 187 N -0.28 0.23 0.21 11.12 0.00 -1.15 -4.84 121.76 127.06 3i9b s ALA 187 Ca -0.04 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 3i9b s ALA 187 Cb -0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 23.12 22.00 3i9b s ALA 187 CO 0.01 -1.03 1.37 -0.51 0.00 0.00 0.00 175.76 175.61 3i9b s LEU 188 N 2.19 4.40 -0.06 0.00 2.01 -1.26 -3.35 118.68 122.61 3i9b s LEU 188 Ca 0.03 2.51 0.03 0.00 0.01 0.00 0.00 54.13 56.71 3i9b s LEU 188 Cb -0.15 -3.61 -0.03 0.00 0.01 0.00 0.00 46.19 42.41 3i9b s LEU 188 CO -0.08 -0.61 -0.12 0.00 1.01 0.00 0.00 176.35 176.54 3i9b s ALA 189 N 0.14 2.73 0.06 4.21 0.00 -0.72 -4.99 121.76 123.20 3i9b s ALA 189 Ca 0.58 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3i9b s ALA 189 Cb -0.39 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 3i9b s ALA 189 CO 0.40 0.52 0.21 1.03 0.00 0.00 0.00 175.76 177.92 3i9b s ARG 190 N -0.61 3.43 0.29 0.00 3.00 -1.26 -3.40 118.95 120.38 3i9b s ARG 190 Ca 0.09 -0.45 -0.16 0.00 0.00 0.00 0.00 55.73 55.21 3i9b s ARG 190 Cb -0.11 -3.03 0.01 0.00 0.00 0.00 0.00 34.95 31.82 3i9b s ARG 190 CO 0.01 0.61 0.62 0.95 0.00 0.00 0.00 175.30 177.49 3i9b s THR 191 N -1.51 0.00 0.21 0.02 -4.23 -1.14 -4.56 115.64 104.42 3i9b s THR 191 Ca 0.35 -1.20 -0.09 0.00 -1.18 0.00 0.00 61.69 59.57 3i9b s THR 191 Cb -0.13 -2.24 0.15 0.00 1.34 0.00 0.00 72.50 71.62 3i9b s THR 191 CO 0.28 0.00 1.78 0.71 -0.54 0.00 0.00 174.62 176.85 3i9b h THR 192 N 2.11 1.25 0.00 3.99 1.35 -1.99 -3.24 112.91 116.38 3i9b h THR 192 Ca -0.24 -0.75 -0.12 0.00 -0.55 0.00 0.00 66.41 64.74 3i9b h THR 192 Cb 1.25 0.31 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 3i9b h THR 192 CO 0.31 0.31 -1.08 0.10 -0.25 0.00 0.00 175.52 174.92 3i9b h TYR 193 N 1.10 0.00 0.00 4.73 -0.00 -2.01 -3.50 116.97 117.28 3i9b h TYR 193 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.99 3i9b h TYR 193 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.90 3i9b h TYR 193 CO 0.02 0.45 0.00 0.41 -0.00 0.00 0.00 178.16 179.04 3i9b n GLY 194 N 1.31 -0.79 3.19 0.10 0.00 -1.23 -5.11 105.19 102.68 3i9b n GLY 194 Ca -0.05 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3i9b n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9b s VAL 195 N -2.53 0.14 -0.03 1.61 1.01 -1.26 -2.89 120.40 116.45 3i9b s VAL 195 Ca 0.00 -1.43 -0.29 0.00 0.00 0.00 0.00 61.98 60.26 3i9b s VAL 195 Cb 0.00 -1.53 0.10 0.00 0.00 0.00 0.00 36.38 34.95 3i9b s VAL 195 CO 0.00 -0.66 0.84 -1.48 0.00 0.00 0.00 175.10 173.80 3i9b s LEU 196 N -2.91 -0.44 0.40 3.92 2.34 -1.22 -4.95 118.68 115.81 3i9b s LEU 196 Ca 0.09 0.23 0.08 0.00 0.06 0.00 0.00 54.13 54.59 3i9b s LEU 196 Cb 0.06 2.15 -0.05 0.00 -0.56 0.00 0.00 46.19 47.78 3i9b s LEU 196 CO -0.08 -0.59 0.14 -0.83 -1.06 0.00 0.00 176.35 173.93 3i9b s GLY 197 N -1.93 2.31 -0.06 -3.48 0.00 -1.26 -1.76 107.32 101.13 3i9b s GLY 197 Ca -0.00 -2.10 0.01 0.00 0.00 0.00 0.00 44.72 42.63 3i9b s GLY 197 CO -0.04 -1.92 -0.07 0.14 0.00 0.00 0.00 173.10 171.22 3i9b s VAL 198 N -2.59 0.77 -0.16 1.40 1.01 -1.21 -1.93 120.40 117.68 3i9b s VAL 198 Ca 0.40 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 3i9b s VAL 198 Cb 0.04 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 3i9b s VAL 198 CO 0.22 0.29 0.02 -0.54 0.00 0.00 0.00 175.10 175.08 3i9b s LYS 199 N 1.08 3.78 -0.08 2.72 1.02 -1.14 -2.91 119.74 124.21 3i9b s LYS 199 Ca -0.08 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 55.52 3i9b s LYS 199 Cb -0.14 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 3i9b s LYS 199 CO -0.01 0.30 -0.15 0.00 -0.92 0.00 0.00 175.35 174.57 3i9b s ALA 200 N 0.26 2.61 -0.16 5.17 0.00 -0.31 -1.70 121.76 127.62 3i9b s ALA 200 Ca 0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 3i9b s ALA 200 Cb -0.13 -1.03 0.05 0.00 0.00 0.00 0.00 23.12 22.01 3i9b s ALA 200 CO 0.01 0.43 0.05 0.71 0.00 0.00 0.00 175.76 176.96 3i9b s TYR 201 N -0.28 0.70 -0.22 0.00 1.51 -0.20 -2.95 117.35 115.91 3i9b s TYR 201 Ca 0.02 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 3i9b s TYR 201 Cb -0.13 -0.88 0.04 0.00 -0.11 0.00 0.00 41.96 40.89 3i9b s TYR 201 CO 0.03 -0.52 -0.15 0.42 -1.11 0.00 0.00 175.55 174.22 3i9b s ILE 202 N 1.97 2.10 -0.22 2.71 1.01 -0.24 -1.26 121.20 127.27 3i9b s ILE 202 Ca 0.01 -1.31 -0.07 0.00 0.00 0.00 0.00 60.65 59.28 3i9b s ILE 202 Cb -0.16 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 3i9b s ILE 202 CO -0.08 0.23 0.07 0.12 0.00 0.00 0.00 174.94 175.28 3i9b s PHE 203 N 1.20 3.15 -0.01 3.97 5.36 0.27 0.90 117.98 132.80 3i9b s PHE 203 Ca -0.03 -0.19 0.05 0.00 -0.96 0.00 0.00 56.93 55.80 3i9b s PHE 203 Cb -0.17 -2.17 -0.01 0.00 -0.34 0.00 0.00 43.02 40.33 3i9b s PHE 203 CO -0.09 -0.14 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.88 3i9b s LEU 204 N 1.09 2.01 0.00 6.12 1.43 -1.20 -1.05 118.68 127.07 3i9b s LEU 204 Ca 0.04 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3i9b s LEU 204 Cb -0.14 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.30 3i9b s LEU 204 CO 0.03 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.40 3i9b n GLY 205 N 2.77 0.00 0.00 -3.19 0.00 -1.26 -4.36 105.19 99.15 3i9b n GLY 205 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3i9b n GLY 205 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i9b n GLU 206 N 0.00 0.00 -0.23 1.61 -0.58 -1.26 -4.53 120.64 115.65 3i9b n GLU 206 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i9b n GLU 206 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i9b n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93