#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h n ILE 5 N 0.00 0.00 -0.42 6.31 -0.00 -1.26 -4.96 119.36 119.03 3i8h n ILE 5 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 62.75 62.59 3i8h n ILE 5 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 39.65 3i8h n ILE 5 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 3i8h n THR 6 N -1.60 0.00 -4.11 7.28 5.66 -1.26 -4.86 114.28 115.39 3i8h n THR 6 Ca 0.00 -0.06 -0.14 0.00 -3.05 0.00 0.00 64.05 60.79 3i8h n THR 6 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 3i8h n THR 6 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i8h s VAL 7 N -0.85 0.72 0.00 1.08 0.11 -1.26 -5.12 120.40 115.08 3i8h s VAL 7 Ca 0.16 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 3i8h s VAL 7 Cb 0.01 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 3i8h s VAL 7 CO 0.30 -0.40 0.00 2.29 -3.33 0.00 0.00 175.10 173.96 3i8h n LYS 8 N 1.21 2.72 0.00 1.54 0.00 -1.26 -5.06 118.16 117.31 3i8h n LYS 8 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 3i8h n LYS 8 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.58 3i8h n LYS 8 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 3i8h n GLU 9 N 0.00 0.01 0.32 -1.58 0.00 -1.26 -4.80 120.64 113.32 3i8h n GLU 9 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.28 3i8h n GLU 9 Cb 0.00 -0.50 0.65 0.00 0.00 0.00 0.00 31.44 31.59 3i8h n GLU 9 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3i8h h LEU 10 N 0.00 0.00 0.20 -1.84 3.38 -1.97 0.43 115.31 115.51 3i8h h LEU 10 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3i8h h LEU 10 Cb 0.01 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 3i8h h LEU 10 CO 0.00 0.00 -1.53 0.25 0.09 0.00 0.00 178.44 177.25 3i8h h LEU 11 N 0.00 0.66 -0.30 1.67 5.85 -2.01 -3.33 115.31 117.85 3i8h h LEU 11 Ca 0.00 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 3i8h h LEU 11 Cb 0.85 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3i8h h LEU 11 CO 0.00 1.64 0.17 -0.33 -0.34 0.00 0.00 178.44 179.58 3i8h h GLU 12 N 0.11 0.41 -0.20 1.25 5.08 -0.47 0.14 114.58 120.90 3i8h h GLU 12 Ca -0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3i8h h GLU 12 Cb 2.10 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.27 3i8h h GLU 12 CO 0.22 0.35 0.00 0.00 -1.00 0.00 0.00 179.01 178.58 3i8h n ALA 13 N -2.22 1.71 0.09 3.43 0.00 -0.93 -1.75 120.51 120.85 3i8h n ALA 13 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 3i8h n ALA 13 Cb 0.07 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 3i8h n ALA 13 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i8h h GLY 14 N 2.40 0.36 0.00 0.00 0.00 -0.82 -3.45 103.07 101.55 3i8h h GLY 14 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3i8h h GLY 14 CO 0.00 0.65 0.00 3.33 0.00 0.00 0.00 176.54 180.52 3i8h n VAL 15 N -3.64 0.00 -2.75 4.60 0.24 -1.05 -5.08 118.33 110.66 3i8h n VAL 15 Ca -0.07 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3i8h n VAL 15 Cb 0.92 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 33.35 3i8h n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3i8h n HIS 16 N 0.00 0.37 -4.31 6.34 -0.00 -0.71 -4.43 115.22 112.48 3i8h n HIS 16 Ca 0.00 -1.85 -0.24 0.00 -0.00 0.00 0.00 57.72 55.64 3i8h n HIS 16 Cb 0.00 0.20 -0.17 0.00 -0.00 0.00 0.00 29.99 30.02 3i8h n HIS 16 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 3i8h s PHE 17 N -2.47 1.27 0.53 4.41 -0.12 -1.26 -3.87 117.98 116.46 3i8h s PHE 17 Ca 0.23 -0.49 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 3i8h s PHE 17 Cb 0.35 -1.00 0.00 0.00 -0.63 0.00 0.00 43.02 41.73 3i8h s PHE 17 CO -0.07 -0.31 0.00 0.41 -0.05 0.00 0.00 175.22 175.20 3i8h n GLY 18 N 4.17 -4.20 1.94 1.99 0.00 -1.26 -4.70 105.19 103.13 3i8h n GLY 18 Ca -0.20 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3i8h n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i8h n HIS 19 N -1.90 -2.03 -2.13 1.61 -0.00 -1.26 -4.67 115.22 104.84 3i8h n HIS 19 Ca 0.00 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.85 3i8h n HIS 19 Cb 0.27 0.49 0.00 0.00 -0.12 0.00 0.00 29.99 30.63 3i8h n HIS 19 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 3i8h s GLU 20 N -1.97 3.37 -0.61 1.57 0.41 -1.26 -4.81 118.70 115.40 3i8h s GLU 20 Ca 0.00 1.28 0.04 0.00 -0.41 0.00 0.00 54.97 55.88 3i8h s GLU 20 Cb 0.00 -2.04 0.15 0.00 -1.78 0.00 0.00 34.13 30.47 3i8h s GLU 20 CO 0.00 -0.77 0.39 0.50 -0.49 0.00 0.00 175.26 174.88 3i8h s ARG 21 N -3.86 2.18 0.00 1.61 3.52 -1.26 -1.78 118.95 119.35 3i8h s ARG 21 Ca 0.65 -2.98 0.00 0.00 -0.13 0.00 0.00 55.73 53.27 3i8h s ARG 21 Cb -0.17 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 3i8h s ARG 21 CO 0.33 -1.22 0.00 1.63 -0.81 0.00 0.00 175.30 175.24 3i8h n LYS 22 N 2.49 -0.67 -1.70 5.12 4.76 -1.26 -4.83 118.16 122.08 3i8h n LYS 22 Ca 0.14 0.17 -0.32 0.00 -2.87 0.00 0.00 58.31 55.42 3i8h n LYS 22 Cb 0.34 -3.67 0.05 0.00 -1.84 0.00 0.00 35.03 29.91 3i8h n LYS 22 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i8h n ARG 23 N -1.64 3.01 -0.38 1.97 1.74 -1.26 -4.99 116.66 115.11 3i8h n ARG 23 Ca 0.00 -3.66 0.00 0.00 -0.77 0.00 0.00 57.85 53.42 3i8h n ARG 23 Cb 0.17 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 3i8h n ARG 23 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 3i8h n TRP 24 N -0.77 -3.07 -3.62 -1.55 4.27 -1.26 -4.58 117.44 106.86 3i8h n TRP 24 Ca 0.55 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.88 3i8h n TRP 24 Cb 0.67 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 30.46 3i8h n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3i8h s ASN 25 N -1.00 2.87 0.00 -0.67 3.84 -1.10 -4.96 114.94 113.91 3i8h s ASN 25 Ca 0.00 -0.90 0.00 0.00 0.21 0.00 0.00 52.86 52.17 3i8h s ASN 25 Cb 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 41.25 40.33 3i8h s ASN 25 CO 0.00 -0.37 0.47 -0.81 -2.79 0.00 0.00 177.10 173.59 3i8h n PRO 26 N 5.21 0.00 0.13 0.43 -0.04 -1.26 0.10 135.00 139.57 3i8h n PRO 26 Ca -0.07 0.09 0.01 0.00 -0.04 0.00 0.00 63.50 63.50 3i8h n PRO 26 Cb 0.46 -1.72 0.01 0.00 -0.04 0.00 0.00 33.50 32.21 3i8h n PRO 26 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3i8h h LYS 27 N 0.00 0.00 -1.92 0.54 1.57 -1.95 -3.28 116.57 111.53 3i8h h LYS 27 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 3i8h h LYS 27 Cb 0.45 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.65 3i8h h LYS 27 CO 0.00 0.56 0.05 0.34 -0.57 0.00 0.00 179.45 179.83 3i8h n PHE 28 N -3.24 0.76 -0.06 -1.35 -0.00 0.29 -4.08 117.46 109.78 3i8h n PHE 28 Ca 0.02 -1.64 -0.04 0.00 -0.00 0.00 0.00 57.45 55.78 3i8h n PHE 28 Cb 0.76 -1.26 -0.15 0.00 -0.00 0.00 0.00 39.48 38.83 3i8h n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i8h n ALA 29 N 1.49 1.81 0.79 3.13 0.00 -1.24 -3.84 120.51 122.65 3i8h n ALA 29 Ca 0.36 -1.01 -0.01 0.00 0.00 0.00 0.00 53.44 52.79 3i8h n ALA 29 Cb 0.68 -0.47 0.03 0.00 0.00 0.00 0.00 19.45 19.70 3i8h n ALA 29 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i8h n ARG 30 N -2.70 1.30 0.00 0.00 1.85 -1.26 -2.54 116.66 113.31 3i8h n ARG 30 Ca -0.22 -0.33 0.00 0.00 -1.00 0.00 0.00 57.85 56.30 3i8h n ARG 30 Cb 0.99 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 31.00 3i8h n ARG 30 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3i8h n TYR 31 N 0.17 0.00 -4.13 2.89 4.02 -1.26 -5.07 117.16 113.79 3i8h n TYR 31 Ca 0.04 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.63 3i8h n TYR 31 Cb 0.46 0.06 -0.08 0.00 -0.02 0.00 0.00 39.34 39.77 3i8h n TYR 31 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 3i8h s ILE 32 N 0.00 4.04 0.08 -0.72 1.10 -1.05 -3.30 121.20 121.35 3i8h s ILE 32 Ca 0.00 -1.01 -0.01 0.00 -0.51 0.00 0.00 60.65 59.12 3i8h s ILE 32 Cb 0.00 -2.94 -0.00 0.00 0.15 0.00 0.00 42.46 39.67 3i8h s ILE 32 CO 0.00 0.10 -0.02 0.00 -2.11 0.00 0.00 174.94 172.91 3i8h n TYR 33 N 0.48 0.00 -4.13 3.50 4.19 -0.77 -4.58 117.16 115.85 3i8h n TYR 33 Ca -0.10 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 60.98 3i8h n TYR 33 Cb 0.52 -0.03 -0.07 0.00 0.49 0.00 0.00 39.34 40.25 3i8h n TYR 33 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3i8h s ALA 34 N -2.06 0.78 -0.05 2.98 0.00 -1.06 -4.99 121.76 117.36 3i8h s ALA 34 Ca -0.02 -1.49 -0.00 0.00 0.00 0.00 0.00 51.96 50.45 3i8h s ALA 34 Cb 0.00 1.25 0.03 0.00 0.00 0.00 0.00 23.12 24.40 3i8h s ALA 34 CO 0.03 -0.73 -0.01 -2.00 0.00 0.00 0.00 175.76 173.05 3i8h s GLU 35 N -3.70 0.59 -0.19 0.00 2.12 -1.26 0.30 118.70 116.56 3i8h s GLU 35 Ca 0.32 0.04 -0.11 0.00 0.36 0.00 0.00 54.97 55.58 3i8h s GLU 35 Cb 0.02 -0.80 0.06 0.00 0.26 0.00 0.00 34.13 33.67 3i8h s GLU 35 CO 0.16 -0.19 0.46 0.50 -0.54 0.00 0.00 175.26 175.64 3i8h s ARG 36 N 1.42 0.46 -1.04 4.30 6.06 -1.02 -4.94 118.95 124.19 3i8h s ARG 36 Ca -0.04 0.84 -0.10 0.00 -2.50 0.00 0.00 55.73 53.93 3i8h s ARG 36 Cb -0.13 0.04 -0.04 0.00 0.06 0.00 0.00 34.95 34.87 3i8h s ARG 36 CO -0.03 -0.15 0.85 0.09 -2.50 0.00 0.00 175.30 173.57 3i8h n ASN 37 N 4.09 -6.32 0.00 -2.12 5.03 -1.26 -3.95 115.26 110.73 3i8h n ASN 37 Ca -0.22 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.49 3i8h n ASN 37 Cb 0.56 -4.54 0.00 0.00 -1.02 0.00 0.00 39.78 34.78 3i8h n ASN 37 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i8h n GLY 38 N -1.45 2.09 3.60 7.41 0.00 -1.26 -4.93 105.19 110.65 3i8h n GLY 38 Ca -0.08 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3i8h n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i8h n ILE 39 N 0.00 2.16 -1.90 -0.61 5.41 -1.25 -4.31 119.36 118.86 3i8h n ILE 39 Ca 0.00 -0.50 -0.30 0.00 1.00 0.00 0.00 62.75 62.95 3i8h n ILE 39 Cb 0.00 -1.10 0.06 0.00 -0.71 0.00 0.00 39.64 37.90 3i8h n ILE 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3i8h s HIS 40 N -1.18 3.16 -0.23 1.39 3.76 -0.74 -2.44 115.29 119.02 3i8h s HIS 40 Ca 0.60 0.91 -0.02 0.00 -0.15 0.00 0.00 55.06 56.40 3i8h s HIS 40 Cb -0.62 -3.25 0.07 0.00 1.11 0.00 0.00 32.58 29.89 3i8h s HIS 40 CO 0.59 -1.43 0.03 0.42 -0.85 0.00 0.00 174.74 173.50 3i8h s ILE 41 N -3.44 0.78 -0.22 0.60 1.09 0.15 -3.99 121.20 116.16 3i8h s ILE 41 Ca 0.60 -0.88 -0.29 0.00 -1.10 0.00 0.00 60.65 58.98 3i8h s ILE 41 Cb -0.11 -1.32 -0.01 0.00 -1.06 0.00 0.00 42.46 39.96 3i8h s ILE 41 CO 0.50 -0.30 1.38 -0.51 -0.10 0.00 0.00 174.94 175.91 3i8h s ILE 42 N 1.72 4.06 -0.12 2.92 2.07 -1.26 -1.86 121.20 128.73 3i8h s ILE 42 Ca 0.01 1.23 -0.34 0.00 -1.41 0.00 0.00 60.65 60.14 3i8h s ILE 42 Cb -0.17 -3.97 -0.11 0.00 0.13 0.00 0.00 42.46 38.34 3i8h s ILE 42 CO -0.12 -0.30 1.95 -0.67 -1.91 0.00 0.00 174.94 173.89 3i8h n ASP 43 N 7.44 3.35 0.15 4.50 2.03 -1.21 -4.53 116.55 128.27 3i8h n ASP 43 Ca 0.15 0.85 0.02 0.00 0.52 0.00 0.00 54.79 56.33 3i8h n ASP 43 Cb 0.45 -1.38 0.14 0.00 -0.72 0.00 0.00 41.12 39.61 3i8h n ASP 43 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3i8h h LEU 44 N 10.11 0.00 -1.96 -2.67 4.07 -1.92 -3.24 115.31 119.70 3i8h h LEU 44 Ca -0.46 0.00 0.32 0.00 0.08 0.00 0.00 57.88 57.82 3i8h h LEU 44 Cb 1.27 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.97 3i8h h LEU 44 CO 0.96 0.54 0.83 -0.61 -1.08 0.00 0.00 178.44 179.08 3i8h h GLN 45 N 0.00 0.00 0.00 1.13 4.15 -2.00 0.96 115.11 119.35 3i8h h GLN 45 Ca -0.01 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 3i8h h GLN 45 Cb 1.23 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 3i8h h GLN 45 CO 0.07 0.00 -1.31 0.87 -1.93 0.00 0.00 178.83 176.53 3i8h h LYS 46 N 0.00 0.00 -0.61 1.69 1.57 -1.96 -2.89 116.57 114.37 3i8h h LYS 46 Ca 0.53 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.39 3i8h h LYS 46 Cb 2.19 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 34.43 3i8h h LYS 46 CO -0.01 0.24 0.27 1.15 -0.57 0.00 0.00 179.45 180.53 3i8h h THR 47 N 0.00 0.85 0.23 -0.16 2.02 0.83 0.65 112.91 117.32 3i8h h THR 47 Ca -0.13 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3i8h h THR 47 Cb 1.47 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3i8h h THR 47 CO 0.04 0.09 -0.11 0.24 0.37 0.00 0.00 175.52 176.15 3i8h h MET 48 N 0.49 -0.29 -1.05 6.66 2.86 -1.49 0.56 114.93 122.68 3i8h h MET 48 Ca 0.30 0.02 0.30 0.00 -2.06 0.00 0.00 59.70 58.26 3i8h h MET 48 Cb 0.30 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 3i8h h MET 48 CO -0.25 0.07 0.86 0.93 1.06 0.00 0.00 176.91 179.58 3i8h h GLU 49 N -0.74 0.00 0.03 1.72 5.08 -1.18 -0.32 114.58 119.18 3i8h h GLU 49 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3i8h h GLU 49 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3i8h h GLU 49 CO 0.05 0.00 -0.02 0.93 -1.00 0.00 0.00 179.01 178.98 3i8h h GLU 50 N 0.00 -0.04 -1.71 2.33 4.39 0.87 -3.33 114.58 117.09 3i8h h GLU 50 Ca 0.50 0.00 0.51 0.00 0.34 0.00 0.00 59.36 60.71 3i8h h GLU 50 Cb 2.22 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 30.80 3i8h h GLU 50 CO -0.01 -0.03 1.21 -0.07 -1.16 0.00 0.00 179.01 178.96 3i8h h LEU 51 N -0.76 0.05 0.00 1.33 3.38 0.17 0.31 115.31 119.78 3i8h h LEU 51 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3i8h h LEU 51 Cb 0.03 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3i8h h LEU 51 CO 0.01 -0.04 0.00 1.21 0.09 0.00 0.00 178.44 179.71 3i8h n GLU 52 N -4.14 0.00 0.12 1.13 2.13 -0.34 0.05 120.64 119.59 3i8h n GLU 52 Ca 0.40 0.34 0.18 0.00 0.66 0.00 0.00 57.16 58.73 3i8h n GLU 52 Cb 1.77 -1.31 0.75 0.00 0.27 0.00 0.00 31.44 32.92 3i8h n GLU 52 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3i8h h ARG 53 N 0.00 0.00 0.15 5.31 2.43 -1.42 -1.14 114.38 119.70 3i8h h ARG 53 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3i8h h ARG 53 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i8h h ARG 53 CO 0.00 0.00 -0.07 1.15 -1.51 0.00 0.00 179.97 179.54 3i8h h THR 54 N 0.00 0.00 -0.99 0.20 2.02 -0.85 -3.12 112.91 110.17 3i8h h THR 54 Ca 0.15 -0.08 0.23 0.00 0.77 0.00 0.00 66.41 67.48 3i8h h THR 54 Cb 0.71 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.04 3i8h h THR 54 CO -0.00 0.00 0.63 -0.26 0.37 0.00 0.00 175.52 176.26 3i8h h PHE 55 N -0.28 0.70 -0.80 3.16 0.04 -0.15 0.63 116.94 120.24 3i8h h PHE 55 Ca -0.02 0.02 0.18 0.00 2.80 0.00 0.00 57.97 60.95 3i8h h PHE 55 Cb 0.15 -0.21 -0.15 0.00 2.20 0.00 0.00 35.95 37.95 3i8h h PHE 55 CO 0.11 0.13 -0.08 0.00 -0.60 0.00 0.00 178.31 177.87 3i8h h ARG 56 N 0.47 0.04 0.09 1.51 2.47 -1.22 0.99 114.38 118.73 3i8h h ARG 56 Ca 0.55 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.26 3i8h h ARG 56 Cb 1.27 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 3i8h h ARG 56 CO -0.27 0.03 -0.04 0.35 0.56 0.00 0.00 179.97 180.60 3i8h h PHE 57 N 0.04 -0.11 -0.49 3.04 3.57 0.30 -2.62 116.94 120.68 3i8h h PHE 57 Ca 0.42 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.01 3i8h h PHE 57 Cb 0.72 0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.40 3i8h h PHE 57 CO -0.53 0.12 -0.33 0.82 -2.23 0.00 0.00 178.31 176.17 3i8h h ILE 58 N -0.33 0.21 0.00 1.41 1.08 0.61 0.96 117.51 121.45 3i8h h ILE 58 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3i8h h ILE 58 Cb 0.28 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 3i8h h ILE 58 CO 0.02 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 178.69 3i8h n GLU 59 N -5.42 0.00 -0.14 2.37 2.13 0.30 -1.26 120.64 118.61 3i8h n GLU 59 Ca 0.02 0.71 -0.09 0.00 0.66 0.00 0.00 57.16 58.46 3i8h n GLU 59 Cb 0.34 -1.45 -0.04 0.00 0.27 0.00 0.00 31.44 30.56 3i8h n GLU 59 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3i8h h ASP 60 N 0.00 -1.39 0.00 4.31 3.45 -1.29 0.76 116.42 122.26 3i8h h ASP 60 Ca 0.00 0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.68 3i8h h ASP 60 Cb 0.00 0.62 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 3i8h h ASP 60 CO 0.00 -0.36 0.49 0.25 -1.57 0.00 0.00 179.24 178.05 3i8h h LEU 61 N -0.30 0.00 0.00 1.55 5.85 -0.59 -2.03 115.31 119.79 3i8h h LEU 61 Ca 0.15 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3i8h h LEU 61 Cb 0.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3i8h h LEU 61 CO -0.59 0.00 -1.03 0.00 -0.34 0.00 0.00 178.44 176.48 3i8h n ALA 62 N -1.63 1.39 0.23 1.25 0.00 0.23 -1.40 120.51 120.58 3i8h n ALA 62 Ca -0.01 -0.68 0.11 0.00 0.00 0.00 0.00 53.44 52.87 3i8h n ALA 62 Cb 0.51 0.10 0.60 0.00 0.00 0.00 0.00 19.45 20.67 3i8h n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8h h MET 63 N -0.78 0.00 -0.53 0.00 -0.00 -0.26 0.58 114.93 113.95 3i8h h MET 63 Ca -0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 59.70 59.31 3i8h h MET 63 Cb 0.90 0.00 -0.17 0.00 -0.00 0.00 0.00 31.60 32.33 3i8h h MET 63 CO -0.06 0.00 0.05 2.89 -0.00 0.00 0.00 176.91 179.80 3i8h n ARG 64 N -2.41 2.05 -3.23 -0.10 1.85 -0.79 -5.00 116.66 109.05 3i8h n ARG 64 Ca -0.01 -3.23 -0.20 0.00 -1.00 0.00 0.00 57.85 53.40 3i8h n ARG 64 Cb 0.25 -1.94 0.02 0.00 -1.05 0.00 0.00 32.46 29.75 3i8h n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i8h n GLY 65 N -1.10 -0.76 0.00 2.89 0.00 0.20 -5.01 105.19 101.41 3i8h n GLY 65 Ca 0.41 1.06 0.00 0.00 0.00 0.00 0.00 46.02 47.49 3i8h n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8h n GLY 66 N -0.59 1.27 0.00 -0.02 0.00 -0.49 -4.99 105.19 100.37 3i8h n GLY 66 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3i8h n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i8h n THR 67 N 0.00 0.00 -4.11 2.61 -2.24 -1.26 -5.00 114.28 104.28 3i8h n THR 67 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 3i8h n THR 67 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 3i8h n THR 67 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i8h s ILE 68 N 0.00 2.06 -0.16 2.28 1.09 -1.26 -3.02 121.20 122.19 3i8h s ILE 68 Ca 0.00 -1.01 -0.25 0.00 -1.10 0.00 0.00 60.65 58.29 3i8h s ILE 68 Cb 0.00 -1.90 -0.02 0.00 -1.06 0.00 0.00 42.46 39.48 3i8h s ILE 68 CO 0.00 0.47 0.79 -0.22 -0.10 0.00 0.00 174.94 175.88 3i8h s LEU 69 N 1.27 4.19 -0.09 2.97 2.96 -0.60 -3.85 118.68 125.54 3i8h s LEU 69 Ca 0.03 1.14 -0.09 0.00 -0.22 0.00 0.00 54.13 54.99 3i8h s LEU 69 Cb -0.14 -3.18 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 3i8h s LEU 69 CO -0.12 -0.34 0.21 -0.36 -1.32 0.00 0.00 176.35 174.42 3i8h s PHE 70 N 1.92 3.63 -0.04 5.38 0.40 0.33 -0.23 117.98 129.37 3i8h s PHE 70 Ca 0.37 0.65 -0.02 0.00 -0.60 0.00 0.00 56.93 57.33 3i8h s PHE 70 Cb -0.17 -2.03 0.03 0.00 0.51 0.00 0.00 43.02 41.36 3i8h s PHE 70 CO 0.13 0.71 0.05 0.14 0.70 0.00 0.00 175.22 176.95 3i8h s VAL 71 N -1.02 -0.05 -0.44 -0.44 -7.23 -1.06 0.19 120.40 110.35 3i8h s VAL 71 Ca 0.17 0.37 0.05 0.00 -1.81 0.00 0.00 61.98 60.76 3i8h s VAL 71 Cb -0.13 -0.18 0.17 0.00 0.56 0.00 0.00 36.38 36.80 3i8h s VAL 71 CO 0.06 0.17 0.50 -0.83 -0.31 0.00 0.00 175.10 174.69 3i8h s GLY 72 N 1.98 -0.05 0.35 2.32 0.00 0.50 -3.11 107.32 109.32 3i8h s GLY 72 Ca 0.03 -1.30 0.21 0.00 0.00 0.00 0.00 44.72 43.67 3i8h s GLY 72 CO -0.03 2.87 1.44 -0.91 0.00 0.00 0.00 173.10 176.47 3i8h h THR 73 N 4.86 0.15 -3.18 0.90 1.35 -1.72 -3.34 112.91 111.94 3i8h h THR 73 Ca 0.14 -1.22 -0.57 0.00 -0.55 0.00 0.00 66.41 64.21 3i8h h THR 73 Cb 1.02 1.97 -0.05 0.00 -1.73 0.00 0.00 68.15 69.36 3i8h h THR 73 CO 0.19 0.09 1.10 -1.59 -0.25 0.00 0.00 175.52 175.06 3i8h s LYS 74 N -3.19 3.52 0.20 4.72 -2.85 -1.26 -4.86 119.74 116.02 3i8h s LYS 74 Ca 0.05 0.98 0.12 0.00 -1.00 0.00 0.00 55.97 56.11 3i8h s LYS 74 Cb 0.06 -4.06 0.73 0.00 -2.06 0.00 0.00 37.83 32.51 3i8h s LYS 74 CO 0.71 -1.63 0.84 1.17 0.10 0.00 0.00 175.35 176.54 3i8h n LYS 75 N 8.16 -0.03 0.00 1.78 0.00 -1.26 0.10 118.16 126.91 3i8h n LYS 75 Ca 0.17 0.73 0.00 0.00 0.00 0.00 0.00 58.31 59.21 3i8h n LYS 75 Cb 0.48 -1.33 0.00 0.00 0.00 0.00 0.00 35.03 34.18 3i8h n LYS 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3i8h n GLN 76 N -4.16 0.49 0.00 1.64 6.02 -1.26 -2.62 117.38 117.48 3i8h n GLN 76 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 3i8h n GLN 76 Cb 0.70 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.79 3i8h n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i8h n ALA 77 N 0.04 0.00 -0.84 -1.58 0.00 0.29 -3.75 120.51 114.68 3i8h n ALA 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8h n ALA 77 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3i8h n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i8h n GLN 78 N 0.00 0.00 -0.22 0.00 6.02 -1.08 -1.40 117.38 120.70 3i8h n GLN 78 Ca 0.00 0.09 0.01 0.00 -0.01 0.00 0.00 57.00 57.09 3i8h n GLN 78 Cb 0.16 -1.08 0.05 0.00 1.02 0.00 0.00 30.24 30.39 3i8h n GLN 78 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3i8h n ASP 79 N -0.76 -0.31 0.00 1.08 8.00 -1.26 0.39 116.55 123.69 3i8h n ASP 79 Ca 0.00 1.01 0.00 0.00 0.71 0.00 0.00 54.79 56.51 3i8h n ASP 79 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 3i8h n ASP 79 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3i8h n ILE 80 N -4.90 0.00 -0.31 0.53 5.41 -1.22 -1.27 119.36 117.60 3i8h n ILE 80 Ca 0.07 1.35 0.16 0.00 1.00 0.00 0.00 62.75 65.34 3i8h n ILE 80 Cb 0.26 -2.23 0.34 0.00 -0.71 0.00 0.00 39.64 37.29 3i8h n ILE 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3i8h h VAL 81 N 0.00 0.31 -0.05 1.39 2.07 0.28 0.23 116.25 120.47 3i8h h VAL 81 Ca 0.00 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.47 3i8h h VAL 81 Cb 0.00 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 29.76 3i8h h VAL 81 CO 0.00 0.04 -0.40 -0.09 0.02 0.00 0.00 177.57 177.14 3i8h h ARG 82 N 0.24 -0.51 0.00 1.57 1.12 0.18 -1.30 114.38 115.68 3i8h h ARG 82 Ca 0.60 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.51 3i8h h ARG 82 Cb 1.27 0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.35 3i8h h ARG 82 CO -0.65 -0.34 0.00 -1.33 -3.11 0.00 0.00 179.97 174.55 3i8h n MET 83 N -5.44 0.00 -0.35 0.20 2.81 0.03 -2.76 117.12 111.61 3i8h n MET 83 Ca -0.05 0.00 0.27 0.00 -1.81 0.00 0.00 57.70 56.11 3i8h n MET 83 Cb 0.36 -0.65 0.42 0.00 -0.71 0.00 0.00 33.22 32.65 3i8h n MET 83 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3i8h n GLU 84 N -0.17 -0.01 -0.00 0.03 -0.58 -0.97 0.25 120.64 119.18 3i8h n GLU 84 Ca 0.00 0.62 -0.13 0.00 -0.42 0.00 0.00 57.16 57.23 3i8h n GLU 84 Cb 0.00 -1.36 -0.09 0.00 -0.57 0.00 0.00 31.44 29.42 3i8h n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8h h ALA 85 N 0.64 0.01 0.27 0.62 0.00 -1.26 -3.23 119.26 116.31 3i8h h ALA 85 Ca 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3i8h h ALA 85 Cb 1.90 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3i8h h ALA 85 CO -0.08 -0.29 -0.13 0.93 0.00 0.00 0.00 179.25 179.67 3i8h h GLU 86 N -0.38 -0.35 -1.94 0.00 5.08 0.34 0.24 114.58 117.58 3i8h h GLU 86 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3i8h h GLU 86 Cb 0.40 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3i8h h GLU 86 CO 0.00 -0.24 0.00 -2.13 -1.00 0.00 0.00 179.01 175.64 3i8h n ARG 87 N -5.25 0.49 0.00 2.33 0.00 -0.84 -0.30 116.66 113.09 3i8h n ARG 87 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 3i8h n ARG 87 Cb 0.17 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.37 3i8h n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i8h n ALA 88 N 1.62 0.00 -2.55 5.13 0.00 -0.88 -4.93 120.51 118.90 3i8h n ALA 88 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3i8h n ALA 88 Cb 0.25 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.71 3i8h n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8h n GLY 89 N -0.30 0.19 3.68 0.00 0.00 0.79 -5.02 105.19 104.52 3i8h n GLY 89 Ca 0.00 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 3i8h n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i8h s MET 90 N -4.98 2.43 0.01 1.61 -1.94 -0.96 -4.98 119.30 110.49 3i8h s MET 90 Ca 0.12 -1.18 -0.30 0.00 -1.71 0.00 0.00 55.69 52.62 3i8h s MET 90 Cb -0.05 -2.33 -0.07 0.00 2.01 0.00 0.00 34.83 34.38 3i8h s MET 90 CO 0.15 0.43 1.70 -2.14 -0.01 0.00 0.00 175.02 175.15 3i8h s PRO 91 N -3.22 4.18 0.41 2.03 0.02 -1.25 -4.65 135.00 132.53 3i8h s PRO 91 Ca 0.29 2.31 0.07 0.00 0.02 0.00 0.00 61.00 63.69 3i8h s PRO 91 Cb -0.08 -3.87 -0.06 0.00 0.02 0.00 0.00 34.50 30.51 3i8h s PRO 91 CO 0.20 -0.82 0.15 1.52 -0.33 0.00 0.00 177.00 177.72 3i8h s TYR 92 N 3.56 2.59 -0.24 6.54 -0.85 -0.97 0.12 117.35 128.10 3i8h s TYR 92 Ca 0.76 -0.60 -0.03 0.00 -0.52 0.00 0.00 57.07 56.68 3i8h s TYR 92 Cb -0.37 -1.92 0.10 0.00 0.38 0.00 0.00 41.96 40.15 3i8h s TYR 92 CO 0.32 0.24 0.20 0.08 -1.52 0.00 0.00 175.55 174.87 3i8h s VAL 93 N -2.62 -0.25 -0.21 -3.49 1.01 0.50 -4.16 120.40 111.20 3i8h s VAL 93 Ca 0.40 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 3i8h s VAL 93 Cb 0.05 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 3i8h s VAL 93 CO 0.22 -0.42 -0.26 0.59 0.00 0.00 0.00 175.10 175.23 3i8h n ASN 94 N 5.29 1.44 -4.76 3.32 4.13 -1.26 -0.37 115.26 123.05 3i8h n ASN 94 Ca -0.05 0.25 -0.40 0.00 1.68 0.00 0.00 54.58 56.06 3i8h n ASN 94 Cb 0.47 -0.60 -0.05 0.00 -1.54 0.00 0.00 39.78 38.05 3i8h n ASN 94 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3i8h s GLN 95 N -2.37 4.46 0.00 3.52 -1.52 -1.26 -4.15 119.66 118.33 3i8h s GLN 95 Ca -0.29 1.01 0.00 0.00 -1.95 0.00 0.00 55.36 54.13 3i8h s GLN 95 Cb 0.11 -3.34 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 3i8h s GLN 95 CO 0.36 0.36 0.00 0.54 -0.25 0.00 0.00 175.29 176.30 3i8h n ARG 96 N 2.54 0.00 -1.96 2.91 3.00 -1.26 -4.54 116.66 117.35 3i8h n ARG 96 Ca -0.04 0.00 -0.25 0.00 -0.01 0.00 0.00 57.85 57.55 3i8h n ARG 96 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.90 3i8h n ARG 96 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 3i8h s TRP 97 N 0.00 1.73 0.41 -1.55 -0.00 -1.26 -4.91 118.94 113.36 3i8h s TRP 97 Ca 0.00 0.88 -0.22 0.00 -0.00 0.00 0.00 56.10 56.76 3i8h s TRP 97 Cb 0.00 -3.90 -0.13 0.00 -0.00 0.00 0.00 33.47 29.44 3i8h s TRP 97 CO 0.00 -1.45 0.50 1.28 -0.00 0.00 0.00 176.95 177.28 3i8h n LEU 98 N 15.16 -0.35 -4.79 5.86 4.77 -1.26 -4.92 117.00 131.47 3i8h n LEU 98 Ca 0.43 0.91 -0.36 0.00 -0.03 0.00 0.00 56.01 56.95 3i8h n LEU 98 Cb 0.46 -1.09 -0.05 0.00 -2.33 0.00 0.00 43.42 40.42 3i8h n LEU 98 CO 0.62 -3.02 0.71 -0.83 -1.33 0.00 0.00 177.39 173.54 3i8h s GLY 99 N -0.95 2.70 0.00 -0.72 0.00 -1.26 -3.48 107.32 103.60 3i8h s GLY 99 Ca 0.63 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.97 3i8h s GLY 99 CO 0.59 1.04 0.00 0.61 0.00 0.00 0.00 173.10 175.33 3i8h n GLY 100 N 0.24 2.50 0.63 0.20 0.00 -1.26 -4.87 105.19 102.63 3i8h n GLY 100 Ca 0.05 0.00 0.42 0.00 0.00 0.00 0.00 46.02 46.49 3i8h n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i8h n MET 101 N -2.00 0.01 0.00 1.61 0.00 -1.23 0.14 117.12 115.65 3i8h n MET 101 Ca 0.00 1.05 -0.01 0.00 0.00 0.00 0.00 57.70 58.74 3i8h n MET 101 Cb 0.00 -2.50 -0.00 0.00 0.00 0.00 0.00 33.22 30.71 3i8h n MET 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3i8h n LEU 102 N -3.61 0.40 0.31 4.03 4.32 -1.26 -3.57 117.00 117.63 3i8h n LEU 102 Ca 0.35 0.06 0.12 0.00 -0.02 0.00 0.00 56.01 56.52 3i8h n LEU 102 Cb 1.80 -0.24 0.63 0.00 -1.62 0.00 0.00 43.42 43.99 3i8h n LEU 102 CO 0.35 -0.53 1.07 0.71 -1.22 0.00 0.00 177.39 177.76 3i8h h THR 103 N -0.09 0.00 -0.97 -5.08 1.35 -1.84 0.18 112.91 106.46 3i8h h THR 103 Ca 0.00 0.00 -0.36 0.00 -0.55 0.00 0.00 66.41 65.50 3i8h h THR 103 Cb 0.09 0.51 -0.37 0.00 -1.73 0.00 0.00 68.15 66.65 3i8h h THR 103 CO 0.00 0.00 -1.11 -3.20 -0.25 0.00 0.00 175.52 170.96 3i8h n ASN 104 N -2.72 1.04 -0.18 5.36 5.15 0.37 -4.92 115.26 119.35 3i8h n ASN 104 Ca -0.02 -2.72 -0.10 0.00 -0.60 0.00 0.00 54.58 51.14 3i8h n ASN 104 Cb 0.48 -0.37 0.01 0.00 -0.53 0.00 0.00 39.78 39.37 3i8h n ASN 104 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3i8h h PHE 105 N 2.90 1.10 -0.84 1.20 3.57 0.12 -2.70 116.94 122.29 3i8h h PHE 105 Ca -0.10 -0.22 0.18 0.00 3.53 0.00 0.00 57.97 61.36 3i8h h PHE 105 Cb 1.17 -0.28 -0.16 0.00 2.79 0.00 0.00 35.95 39.48 3i8h h PHE 105 CO 0.46 1.02 -0.16 -0.22 -2.23 0.00 0.00 178.31 177.18 3i8h h LYS 106 N 0.86 0.01 0.04 1.11 1.63 -1.87 0.42 116.57 118.77 3i8h h LYS 106 Ca 0.14 -0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.70 3i8h h LYS 106 Cb 0.63 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 3i8h h LYS 106 CO 0.04 0.01 -1.15 1.15 -3.45 0.00 0.00 179.45 176.05 3i8h h THR 107 N 0.01 1.57 -0.12 1.00 2.02 -1.92 -3.04 112.91 112.43 3i8h h THR 107 Ca 0.42 -3.24 -0.09 0.00 0.77 0.00 0.00 66.41 64.27 3i8h h THR 107 Cb 0.68 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.93 3i8h h THR 107 CO -0.84 0.91 -0.33 0.40 0.37 0.00 0.00 175.52 176.03 3i8h h ILE 108 N 0.03 1.27 -0.35 3.11 1.08 -0.89 -2.74 117.51 119.02 3i8h h ILE 108 Ca -0.08 -1.32 -0.08 0.00 -0.39 0.00 0.00 64.86 62.99 3i8h h ILE 108 Cb 1.86 1.55 -0.02 0.00 -3.07 0.00 0.00 36.82 37.14 3i8h h ILE 108 CO 0.15 0.40 -0.14 0.28 -0.69 0.00 0.00 178.15 178.15 3i8h h SER 109 N 0.21 0.60 0.04 1.72 0.02 -0.22 -2.11 113.55 113.83 3i8h h SER 109 Ca 0.03 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3i8h h SER 109 Cb 0.70 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3i8h h SER 109 CO 0.05 0.76 0.00 0.00 -1.14 0.00 0.00 176.83 176.51 3i8h n GLN 110 N -4.17 0.01 0.01 3.45 6.02 -1.03 0.15 117.38 121.82 3i8h n GLN 110 Ca 0.01 0.38 0.11 0.00 -0.01 0.00 0.00 57.00 57.49 3i8h n GLN 110 Cb 0.35 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.03 3i8h n GLN 110 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i8h n ARG 111 N -1.41 0.42 -0.02 -1.09 1.74 -0.79 -3.08 116.66 112.43 3i8h n ARG 111 Ca 0.01 -0.07 -0.16 0.00 -0.77 0.00 0.00 57.85 56.86 3i8h n ARG 111 Cb 0.02 -1.57 -0.12 0.00 -1.02 0.00 0.00 32.46 29.77 3i8h n ARG 111 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i8h h VAL 112 N 0.00 1.57 -0.72 1.55 2.07 0.14 -2.63 116.25 118.23 3i8h h VAL 112 Ca 0.00 -2.08 0.01 0.00 0.82 0.00 0.00 66.70 65.45 3i8h h VAL 112 Cb 0.82 2.89 -0.04 0.00 -1.52 0.00 0.00 31.29 33.44 3i8h h VAL 112 CO 0.00 0.57 0.48 0.45 0.02 0.00 0.00 177.57 179.09 3i8h h HIS 113 N -0.52 0.90 -0.49 1.57 3.86 -1.46 -1.17 115.15 117.85 3i8h h HIS 113 Ca -0.04 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 3i8h h HIS 113 Cb 1.11 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 3i8h h HIS 113 CO 0.19 0.57 -0.02 -0.09 0.86 0.00 0.00 177.93 179.44 3i8h h ARG 114 N 0.97 0.83 -0.45 2.45 9.65 -1.55 0.32 114.38 126.60 3i8h h ARG 114 Ca 0.26 -0.24 -0.08 0.00 -1.10 0.00 0.00 59.98 58.83 3i8h h ARG 114 Cb -0.11 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.36 3i8h h ARG 114 CO -0.06 0.84 -0.05 1.25 2.80 0.00 0.00 179.97 184.75 3i8h h LEU 115 N 0.77 0.74 -0.47 3.80 5.85 -0.88 -1.16 115.31 123.95 3i8h h LEU 115 Ca 0.14 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3i8h h LEU 115 Cb 0.49 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3i8h h LEU 115 CO 0.02 0.84 0.27 -0.33 -0.34 0.00 0.00 178.44 178.90 3i8h h GLU 116 N 0.70 0.64 0.14 1.25 5.08 -0.29 0.85 114.58 122.95 3i8h h GLU 116 Ca 0.13 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3i8h h GLU 116 Cb 0.51 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 3i8h h GLU 116 CO 0.03 0.49 -0.33 0.93 -1.00 0.00 0.00 179.01 179.13 3i8h h GLU 117 N 0.62 -0.55 -0.23 2.33 4.39 -0.36 0.23 114.58 121.01 3i8h h GLU 117 Ca 0.17 0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.85 3i8h h GLU 117 Cb 0.03 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3i8h h GLU 117 CO -0.03 -0.37 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.31 3i8h h LEU 118 N -0.57 0.33 0.50 1.33 3.38 -0.92 -1.20 115.31 118.16 3i8h h LEU 118 Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3i8h h LEU 118 Cb 0.59 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3i8h h LEU 118 CO -0.18 0.45 -0.24 -0.08 0.09 0.00 0.00 178.44 178.48 3i8h h GLU 119 N 0.34 -0.65 0.00 1.13 4.57 0.15 -2.15 114.58 117.98 3i8h h GLU 119 Ca 0.07 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3i8h h GLU 119 Cb 0.35 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 3i8h h GLU 119 CO 0.02 -0.43 0.00 0.00 -1.18 0.00 0.00 179.01 177.42 3i8h n ALA 120 N -2.39 2.07 0.34 2.92 0.00 0.73 -1.13 120.51 123.04 3i8h n ALA 120 Ca -0.08 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.37 3i8h n ALA 120 Cb 0.26 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.66 3i8h n ALA 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i8h n LEU 121 N -0.62 1.28 0.00 0.00 0.00 -0.46 -4.84 117.00 112.36 3i8h n LEU 121 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 56.01 55.19 3i8h n LEU 121 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.43 3i8h n LEU 121 CO 0.02 0.26 0.00 0.33 0.00 0.00 0.00 177.39 178.00 3i8h n PHE 122 N -0.03 0.00 -2.43 1.96 7.35 -0.28 -4.40 117.46 119.64 3i8h n PHE 122 Ca 0.04 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.30 3i8h n PHE 122 Cb 0.18 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.99 3i8h n PHE 122 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i8h s ALA 123 N -2.18 3.50 0.24 3.13 0.00 -1.26 -4.91 121.76 120.27 3i8h s ALA 123 Ca 0.00 0.26 -0.20 0.00 0.00 0.00 0.00 51.96 52.02 3i8h s ALA 123 Cb 0.00 -3.71 0.03 0.00 0.00 0.00 0.00 23.12 19.44 3i8h s ALA 123 CO 0.00 -1.51 0.64 -1.54 0.00 0.00 0.00 175.76 173.35 3i8h s SER 124 N 2.43 -0.31 -0.69 0.00 1.04 -1.26 -5.03 113.70 109.88 3i8h s SER 124 Ca 0.55 -0.48 -0.03 0.00 0.48 0.00 0.00 55.95 56.47 3i8h s SER 124 Cb -0.19 0.66 0.19 0.00 0.10 0.00 0.00 66.02 66.78 3i8h s SER 124 CO 0.19 -1.19 2.42 -0.81 0.98 0.00 0.00 173.24 174.82 3i8h n PRO 125 N -0.41 2.82 0.00 4.02 -0.04 -1.26 -3.86 135.00 136.26 3i8h n PRO 125 Ca -0.08 -2.98 0.00 0.00 -0.04 0.00 0.00 63.50 60.40 3i8h n PRO 125 Cb 0.61 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 3i8h n PRO 125 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i8h n GLU 126 N 0.33 0.00 -0.08 0.54 2.13 -1.26 -5.02 120.64 117.28 3i8h n GLU 126 Ca 0.52 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 58.19 3i8h n GLU 126 Cb 0.39 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.97 3i8h n GLU 126 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3i8h n ILE 127 N 0.00 1.53 -0.32 6.31 3.06 -1.25 -4.17 119.36 124.52 3i8h n ILE 127 Ca 0.00 -0.71 0.12 0.00 -2.50 0.00 0.00 62.75 59.66 3i8h n ILE 127 Cb 0.00 -1.10 0.35 0.00 0.54 0.00 0.00 39.64 39.43 3i8h n ILE 127 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 3i8h h GLU 128 N 0.01 0.72 0.00 9.51 4.81 -1.96 -2.84 114.58 124.83 3i8h h GLU 128 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3i8h h GLU 128 Cb 2.05 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 31.27 3i8h h GLU 128 CO 0.01 0.47 0.00 0.39 -0.73 0.00 0.00 179.01 179.15 3i8h n GLU 129 N -4.63 0.00 -1.55 1.92 -0.58 -1.26 -4.47 120.64 110.06 3i8h n GLU 129 Ca 0.20 0.50 -0.60 0.00 -0.42 0.00 0.00 57.16 56.84 3i8h n GLU 129 Cb 0.52 -0.95 -0.09 0.00 -0.57 0.00 0.00 31.44 30.35 3i8h n GLU 129 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3i8h n ARG 130 N -1.20 0.00 -0.81 3.49 1.74 -1.07 -4.86 116.66 113.94 3i8h n ARG 130 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 3i8h n ARG 130 Cb 0.00 -1.35 0.13 0.00 -1.02 0.00 0.00 32.46 30.22 3i8h n ARG 130 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3i8h n PRO 131 N 3.34 -0.27 0.20 5.56 -0.02 -1.26 -4.57 135.00 137.98 3i8h n PRO 131 Ca 0.27 -0.03 0.14 0.00 -2.02 0.00 0.00 63.50 61.86 3i8h n PRO 131 Cb -0.04 -2.00 0.71 0.00 -0.02 0.00 0.00 33.50 32.15 3i8h n PRO 131 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3i8h h LYS 132 N -1.53 0.00 -0.94 -0.52 3.64 -1.91 0.15 116.57 115.47 3i8h h LYS 132 Ca -0.44 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 3i8h h LYS 132 Cb 1.28 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.06 3i8h h LYS 132 CO 0.37 0.00 0.56 0.87 -2.27 0.00 0.00 179.45 178.98 3i8h h LYS 133 N 0.00 1.28 0.00 1.90 1.79 -2.00 -2.70 116.57 116.84 3i8h h LYS 133 Ca 0.00 -0.12 -0.12 0.00 -2.18 0.00 0.00 60.65 58.24 3i8h h LYS 133 Cb 0.14 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 3i8h h LYS 133 CO 0.00 0.90 -1.67 0.39 -1.08 0.00 0.00 179.45 177.99 3i8h n GLU 134 N -4.36 0.64 -0.04 3.15 1.02 0.13 -4.26 120.64 116.93 3i8h n GLU 134 Ca 0.10 0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.20 3i8h n GLU 134 Cb 0.06 -1.68 -0.02 0.00 -0.02 0.00 0.00 31.44 29.78 3i8h n GLU 134 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3i8h h GLN 135 N 0.00 -0.23 -0.23 3.49 4.20 -0.49 -0.82 115.11 121.03 3i8h h GLN 135 Ca -0.14 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3i8h h GLN 135 Cb 1.40 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 3i8h h GLN 135 CO 0.02 -0.16 0.09 0.28 -0.67 0.00 0.00 178.83 178.40 3i8h h VAL 136 N -0.24 1.16 -0.38 -0.54 2.07 -1.75 -2.90 116.25 113.67 3i8h h VAL 136 Ca 0.13 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3i8h h VAL 136 Cb 0.44 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 3i8h h VAL 136 CO -0.36 0.16 -0.26 -0.09 0.02 0.00 0.00 177.57 177.05 3i8h h ARG 137 N 0.21 -0.04 -0.01 1.57 2.43 -1.57 -2.33 114.38 114.64 3i8h h ARG 137 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3i8h h ARG 137 Cb 0.17 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3i8h h ARG 137 CO -0.01 -0.03 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.30 3i8h h LEU 138 N -0.04 -0.17 -3.05 3.80 3.38 -1.17 0.47 115.31 118.52 3i8h h LEU 138 Ca 0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i8h h LEU 138 Cb 0.20 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3i8h h LEU 138 CO -0.38 -0.05 0.00 0.29 0.09 0.00 0.00 178.44 178.39 3i8h n LYS 139 N -2.83 0.40 0.06 1.13 4.01 -1.09 -1.16 118.16 118.69 3i8h n LYS 139 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 3i8h n LYS 139 Cb 0.04 -1.30 0.00 0.00 -0.51 0.00 0.00 35.03 33.26 3i8h n LYS 139 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 3i8h n HIS 140 N 1.46 -1.25 0.10 2.13 -0.00 -0.72 -4.57 115.22 112.36 3i8h n HIS 140 Ca 0.00 0.23 0.01 0.00 0.46 0.00 0.00 57.72 58.42 3i8h n HIS 140 Cb 0.20 0.66 0.06 0.00 -0.12 0.00 0.00 29.99 30.78 3i8h n HIS 140 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 3i8h n GLU 141 N -2.90 0.02 -0.14 1.57 2.13 0.16 -1.38 120.64 120.10 3i8h n GLU 141 Ca 0.00 0.35 -0.28 0.00 0.66 0.00 0.00 57.16 57.89 3i8h n GLU 141 Cb 0.00 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.11 3i8h n GLU 141 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3i8h n LEU 142 N -1.38 2.13 -0.13 4.31 0.00 -0.43 -3.63 117.00 117.87 3i8h n LEU 142 Ca 0.01 0.25 -0.06 0.00 0.00 0.00 0.00 56.01 56.22 3i8h n LEU 142 Cb 0.02 -0.83 0.01 0.00 0.00 0.00 0.00 43.42 42.62 3i8h n LEU 142 CO 0.02 0.64 0.68 -0.33 0.00 0.00 0.00 177.39 178.40 3i8h h GLU 143 N -0.82 -0.16 0.13 1.96 5.08 -1.47 0.82 114.58 120.12 3i8h h GLU 143 Ca -0.68 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 3i8h h GLU 143 Cb 1.67 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 3i8h h GLU 143 CO -0.37 -0.11 -0.13 0.07 -1.00 0.00 0.00 179.01 177.47 3i8h h ARG 144 N -0.17 -0.28 -0.71 2.33 0.11 -1.61 0.15 114.38 114.20 3i8h h ARG 144 Ca 0.20 0.02 0.15 0.00 0.10 0.00 0.00 59.98 60.45 3i8h h ARG 144 Cb 0.49 0.06 -0.11 0.00 1.11 0.00 0.00 29.97 31.53 3i8h h ARG 144 CO -0.54 -0.19 0.15 -0.07 0.10 0.00 0.00 179.97 179.43 3i8h h LEU 145 N -0.29 -0.02 -1.43 0.08 -0.00 -1.14 1.08 115.31 113.58 3i8h h LEU 145 Ca 0.01 0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 3i8h h LEU 145 Cb 0.28 0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.14 3i8h h LEU 145 CO -0.04 -0.04 -0.06 -0.61 -0.00 0.00 0.00 178.44 177.69 3i8h h GLN 146 N 0.25 0.00 0.25 1.13 4.15 0.11 -1.20 115.11 119.81 3i8h h GLN 146 Ca 0.40 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.80 3i8h h GLN 146 Cb 0.66 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.36 3i8h h GLN 146 CO -0.50 0.06 -0.12 -0.22 -1.93 0.00 0.00 178.83 176.12 3i8h h LYS 147 N 0.00 -0.33 -0.00 1.69 3.64 0.40 -2.36 116.57 119.61 3i8h h LYS 147 Ca -0.00 0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.22 3i8h h LYS 147 Cb 0.55 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3i8h h LYS 147 CO 0.01 -0.03 -0.71 1.88 -2.27 0.00 0.00 179.45 178.33 3i8h h TYR 148 N -0.99 0.72 -0.50 1.91 0.05 -1.07 -3.26 116.97 113.84 3i8h h TYR 148 Ca -0.03 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.36 3i8h h TYR 148 Cb 0.45 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.11 3i8h h TYR 148 CO 0.04 1.21 0.00 1.28 -1.05 0.00 0.00 178.16 179.65 3i8h n LEU 149 N -4.13 4.50 -0.19 3.88 4.77 -0.46 -4.63 117.00 120.74 3i8h n LEU 149 Ca -0.10 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 3i8h n LEU 149 Cb 0.72 -0.60 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3i8h n LEU 149 CO 0.49 0.61 0.30 -0.24 -1.33 0.00 0.00 177.39 177.22 3i8h n SER 150 N 0.68 -0.30 -0.85 -1.43 2.88 -0.89 -0.57 113.62 113.15 3i8h n SER 150 Ca 0.22 0.87 0.05 0.00 -1.33 0.00 0.00 58.87 58.68 3i8h n SER 150 Cb 0.91 -0.21 0.15 0.00 -0.75 0.00 0.00 64.21 64.31 3i8h n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i8h n GLY 151 N -1.25 3.91 0.08 0.46 0.00 -1.26 -4.62 105.19 102.51 3i8h n GLY 151 Ca 0.06 -1.16 -0.05 0.00 0.00 0.00 0.00 46.02 44.86 3i8h n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i8h n PHE 152 N -0.65 0.43 -0.29 1.61 -0.00 0.27 -2.29 117.46 116.54 3i8h n PHE 152 Ca 0.15 0.15 0.11 0.00 -0.00 0.00 0.00 57.45 57.86 3i8h n PHE 152 Cb 0.82 -1.00 0.26 0.00 -0.00 0.00 0.00 39.48 39.56 3i8h n PHE 152 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i8h h ARG 153 N 0.00 0.17 -6.39 -4.13 3.08 -1.79 -3.40 114.38 101.91 3i8h h ARG 153 Ca -0.34 -0.01 -0.63 0.00 0.07 0.00 0.00 59.98 59.07 3i8h h ARG 153 Cb 1.89 -0.04 0.08 0.00 0.08 0.00 0.00 29.97 31.99 3i8h h ARG 153 CO 0.04 0.11 0.30 1.28 -1.07 0.00 0.00 179.97 180.63 3i8h n LEU 154 N -5.26 1.81 -2.16 3.04 4.77 -1.26 -4.24 117.00 113.70 3i8h n LEU 154 Ca 0.19 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 3i8h n LEU 154 Cb 0.63 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 3i8h n LEU 154 CO 0.05 -1.19 -0.44 0.18 -1.33 0.00 0.00 177.39 174.66 3i8h n LEU 155 N 1.92 -6.10 -2.30 2.23 7.99 -1.26 -4.71 117.00 114.77 3i8h n LEU 155 Ca 0.14 2.64 -0.34 0.00 -0.01 0.00 0.00 56.01 58.44 3i8h n LEU 155 Cb 0.27 -3.01 0.08 0.00 -0.11 0.00 0.00 43.42 40.65 3i8h n LEU 155 CO 0.61 -2.44 1.37 0.29 -1.51 0.00 0.00 177.39 175.71 3i8h n LYS 156 N 1.66 2.72 -3.54 3.23 5.02 -1.26 -4.89 118.16 121.10 3i8h n LYS 156 Ca 0.00 -3.33 -0.16 0.00 -2.02 0.00 0.00 58.31 52.80 3i8h n LYS 156 Cb 0.00 -2.28 -0.06 0.00 -0.02 0.00 0.00 35.03 32.67 3i8h n LYS 156 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3i8h s ARG 157 N -3.79 0.94 0.30 1.97 3.52 -1.26 -5.15 118.95 115.47 3i8h s ARG 157 Ca 0.64 0.33 -0.30 0.00 -0.13 0.00 0.00 55.73 56.27 3i8h s ARG 157 Cb 0.50 0.45 -0.12 0.00 -1.56 0.00 0.00 34.95 34.22 3i8h s ARG 157 CO -0.00 -0.27 1.50 1.47 -0.81 0.00 0.00 175.30 177.18 3i8h n LEU 158 N 1.10 4.01 -4.77 -0.88 -0.00 -1.26 -5.01 117.00 110.20 3i8h n LEU 158 Ca -0.17 1.16 -0.30 0.00 -0.00 0.00 0.00 56.01 56.71 3i8h n LEU 158 Cb 0.57 -1.54 0.20 0.00 -0.00 0.00 0.00 43.42 42.65 3i8h n LEU 158 CO 0.20 -0.08 0.75 -2.16 -0.00 0.00 0.00 177.39 176.09 3i8h s PRO 159 N -0.86 -0.12 -0.01 1.47 0.04 -1.26 -4.99 135.00 129.27 3i8h s PRO 159 Ca 0.63 -0.18 0.08 0.00 0.04 0.00 0.00 61.00 61.57 3i8h s PRO 159 Cb -0.54 -1.74 0.23 0.00 0.04 0.00 0.00 34.50 32.50 3i8h s PRO 159 CO 0.53 -2.96 1.19 -3.47 0.04 0.00 0.00 177.00 172.33 3i8h n ASP 160 N -4.20 2.71 -3.63 6.66 2.03 -1.17 -4.94 116.55 114.01 3i8h n ASP 160 Ca 0.13 -2.08 -0.03 0.00 0.52 0.00 0.00 54.79 53.34 3i8h n ASP 160 Cb 0.59 -0.19 -0.03 0.00 -0.72 0.00 0.00 41.12 40.78 3i8h n ASP 160 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i8h s ALA 161 N -1.14 -2.15 -0.03 -1.67 0.00 -1.24 -3.47 121.76 112.07 3i8h s ALA 161 Ca 0.18 1.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.98 3i8h s ALA 161 Cb 0.10 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.49 3i8h s ALA 161 CO 0.11 -0.44 0.05 0.96 0.00 0.00 0.00 175.76 176.44 3i8h s ILE 162 N -1.71 -0.09 0.03 0.00 -4.36 -1.03 -1.55 121.20 112.49 3i8h s ILE 162 Ca 0.10 0.35 -0.30 0.00 -0.26 0.00 0.00 60.65 60.54 3i8h s ILE 162 Cb -0.01 -0.12 -0.04 0.00 1.25 0.00 0.00 42.46 43.54 3i8h s ILE 162 CO -0.05 0.14 0.96 0.12 0.24 0.00 0.00 174.94 176.36 3i8h s PHE 163 N 1.73 3.71 -0.06 1.37 5.99 0.69 -2.46 117.98 128.95 3i8h s PHE 163 Ca -0.01 1.72 0.01 0.00 0.00 0.00 0.00 56.93 58.66 3i8h s PHE 163 Cb -0.12 -3.09 0.02 0.00 0.00 0.00 0.00 43.02 39.83 3i8h s PHE 163 CO -0.03 0.07 -0.08 0.08 -0.00 0.00 0.00 175.22 175.26 3i8h s VAL 164 N 0.66 0.83 0.00 3.12 1.01 -0.06 -2.57 120.40 123.39 3i8h s VAL 164 Ca 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3i8h s VAL 164 Cb -0.22 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3i8h s VAL 164 CO 0.28 0.29 0.09 1.33 0.00 0.00 0.00 175.10 177.09 3i8h n VAL 165 N 4.01 0.00 -3.10 2.92 0.24 -1.18 -1.11 118.33 120.11 3i8h n VAL 165 Ca -0.23 0.41 -0.45 0.00 -2.04 0.00 0.00 64.34 62.03 3i8h n VAL 165 Cb 0.51 -1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 31.79 3i8h n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i8h s ASP 166 N -1.64 6.20 0.15 -1.34 3.68 -1.26 -2.33 116.67 120.13 3i8h s ASP 166 Ca 0.00 -1.45 -0.18 0.00 2.13 0.00 0.00 52.55 53.05 3i8h s ASP 166 Cb 0.00 -2.31 0.05 0.00 -1.45 0.00 0.00 42.92 39.21 3i8h s ASP 166 CO 0.00 -1.12 1.70 1.55 0.13 0.00 0.00 175.17 177.43 3i8h h PRO 167 N 9.18 0.07 -0.55 4.34 0.13 -1.85 -1.81 132.00 141.50 3i8h h PRO 167 Ca -0.28 -0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.95 3i8h h PRO 167 Cb 1.08 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.09 3i8h h PRO 167 CO 1.10 0.05 -0.27 0.00 -0.23 0.00 0.00 178.00 178.65 3i8h h THR 168 N 0.07 0.26 -0.72 1.56 1.03 -1.92 0.62 112.91 113.81 3i8h h THR 168 Ca 0.15 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.53 3i8h h THR 168 Cb 0.21 0.26 -0.03 0.00 -1.07 0.00 0.00 68.15 67.52 3i8h h THR 168 CO -0.27 0.00 0.35 0.50 -0.01 0.00 0.00 175.52 176.09 3i8h h LYS 169 N -0.13 1.03 -1.26 0.00 3.11 -1.82 -2.92 116.57 114.58 3i8h h LYS 169 Ca 0.24 -0.14 -0.63 0.00 -2.81 0.00 0.00 60.65 57.31 3i8h h LYS 169 Cb 0.52 -0.19 -0.36 0.00 -1.00 0.00 0.00 32.23 31.19 3i8h h LYS 169 CO -0.63 0.79 -0.02 0.39 -2.81 0.00 0.00 179.45 177.17 3i8h n GLU 170 N -4.33 3.18 -0.15 1.90 4.71 -0.18 -4.75 120.64 121.01 3i8h n GLU 170 Ca 0.07 -3.92 0.05 0.00 -0.01 0.00 0.00 57.16 53.35 3i8h n GLU 170 Cb 0.14 -2.27 0.35 0.00 -1.01 0.00 0.00 31.44 28.64 3i8h n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i8h h ALA 171 N 2.41 1.67 -0.65 0.62 0.00 0.36 -1.56 119.26 122.10 3i8h h ALA 171 Ca 0.45 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.45 3i8h h ALA 171 Cb 0.90 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 3i8h h ALA 171 CO 1.12 0.25 0.19 0.82 0.00 0.00 0.00 179.25 181.63 3i8h h ILE 172 N 0.76 0.66 0.33 0.00 5.03 -1.85 0.36 117.51 122.80 3i8h h ILE 172 Ca 0.27 -0.11 -0.02 0.00 -0.12 0.00 0.00 64.86 64.88 3i8h h ILE 172 Cb 0.13 0.30 0.00 0.00 -3.03 0.00 0.00 36.82 34.22 3i8h h ILE 172 CO -0.08 0.06 -0.16 0.00 -0.68 0.00 0.00 178.15 177.29 3i8h h ALA 173 N 1.49 -1.12 -1.47 1.87 0.00 -1.66 -0.71 119.26 117.67 3i8h h ALA 173 Ca 0.34 -0.10 0.46 0.00 0.00 0.00 0.00 54.91 55.62 3i8h h ALA 173 Cb 0.50 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 3i8h h ALA 173 CO -0.39 -1.09 0.99 0.28 0.00 0.00 0.00 179.25 179.04 3i8h h VAL 174 N -0.44 0.13 0.71 0.00 2.07 -1.17 0.70 116.25 118.25 3i8h h VAL 174 Ca -0.04 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3i8h h VAL 174 Cb 0.34 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3i8h h VAL 174 CO 0.07 0.01 -0.34 -0.09 0.02 0.00 0.00 177.57 177.24 3i8h h ARG 175 N 0.06 -0.92 -0.34 1.57 9.65 0.22 -1.60 114.38 123.02 3i8h h ARG 175 Ca 0.82 0.06 0.07 0.00 -1.10 0.00 0.00 59.98 59.83 3i8h h ARG 175 Cb 2.83 0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 31.56 3i8h h ARG 175 CO -0.28 -0.62 -0.05 0.93 2.80 0.00 0.00 179.97 182.76 3i8h h GLU 176 N -1.13 0.04 0.25 0.20 5.08 0.18 -0.17 114.58 119.03 3i8h h GLU 176 Ca -0.10 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3i8h h GLU 176 Cb 0.73 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3i8h h GLU 176 CO 0.16 0.03 -0.36 0.00 -1.00 0.00 0.00 179.01 177.84 3i8h h ALA 177 N 1.32 -0.97 -1.15 3.43 0.00 -0.94 -0.93 119.26 120.03 3i8h h ALA 177 Ca 0.17 -0.11 0.33 0.00 0.00 0.00 0.00 54.91 55.29 3i8h h ALA 177 Cb 0.24 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 3i8h h ALA 177 CO -0.32 -1.02 0.81 -0.09 0.00 0.00 0.00 179.25 178.63 3i8h h ARG 178 N -0.64 0.06 -0.01 0.00 9.65 -0.99 0.21 114.38 122.67 3i8h h ARG 178 Ca -0.03 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3i8h h ARG 178 Cb 0.58 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3i8h h ARG 178 CO -0.10 0.04 -0.01 -0.22 2.80 0.00 0.00 179.97 182.48 3i8h h LYS 179 N 0.06 0.01 -0.02 0.20 3.64 0.09 -3.06 116.57 117.50 3i8h h LYS 179 Ca 0.56 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 3i8h h LYS 179 Cb 2.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.94 3i8h h LYS 179 CO -0.06 0.50 0.00 1.28 -2.27 0.00 0.00 179.45 178.90 3i8h n LEU 180 N -4.84 0.10 -0.52 5.20 4.77 -0.12 -4.86 117.00 116.73 3i8h n LEU 180 Ca -0.08 -0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 55.78 3i8h n LEU 180 Cb 0.25 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3i8h n LEU 180 CO 0.34 0.02 -0.06 0.49 -1.33 0.00 0.00 177.39 176.85 3i8h n PHE 181 N -0.55 0.00 -2.71 -1.77 3.72 -0.51 -4.98 117.46 110.67 3i8h n PHE 181 Ca 0.06 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.03 3i8h n PHE 181 Cb 0.04 -1.61 -0.03 0.00 -0.94 0.00 0.00 39.48 36.94 3i8h n PHE 181 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i8h s ILE 182 N -2.11 4.58 0.57 4.37 1.01 -0.18 -4.96 121.20 124.48 3i8h s ILE 182 Ca 0.00 1.61 -0.18 0.00 0.00 0.00 0.00 60.65 62.07 3i8h s ILE 182 Cb 0.00 -4.35 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 3i8h s ILE 182 CO 0.00 -0.43 0.69 -2.65 0.00 0.00 0.00 174.94 172.56 3i8h n PRO 183 N 6.71 0.67 -4.49 2.79 -0.02 -1.23 -3.88 135.00 135.55 3i8h n PRO 183 Ca 0.10 0.26 -0.23 0.00 -2.02 0.00 0.00 63.50 61.61 3i8h n PRO 183 Cb 0.47 -1.87 -0.16 0.00 -0.02 0.00 0.00 33.50 31.93 3i8h n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i8h s VAL 184 N -1.62 0.97 0.14 -1.45 1.01 -1.26 -2.46 120.40 115.72 3i8h s VAL 184 Ca 0.71 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 62.37 3i8h s VAL 184 Cb -0.44 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3i8h s VAL 184 CO 0.52 0.31 -0.23 0.27 0.00 0.00 0.00 175.10 175.97 3i8h s ILE 185 N 0.48 2.02 -0.10 2.22 -4.36 -1.03 -0.84 121.20 119.59 3i8h s ILE 185 Ca -0.09 -1.75 -0.31 0.00 -0.26 0.00 0.00 60.65 58.24 3i8h s ILE 185 Cb -0.13 -1.84 0.09 0.00 1.25 0.00 0.00 42.46 41.84 3i8h s ILE 185 CO 0.02 -0.06 0.81 0.00 0.24 0.00 0.00 174.94 175.96 3i8h s ALA 186 N -1.34 -1.84 -1.21 2.27 0.00 -1.04 -0.88 121.76 117.74 3i8h s ALA 186 Ca 0.13 1.43 -0.08 0.00 0.00 0.00 0.00 51.96 53.44 3i8h s ALA 186 Cb -0.09 -0.29 0.21 0.00 0.00 0.00 0.00 23.12 22.95 3i8h s ALA 186 CO 0.06 -0.34 1.69 -0.11 0.00 0.00 0.00 175.76 177.05 3i8h n LEU 187 N 0.83 6.41 -4.90 0.00 -0.00 -0.26 -0.27 117.00 118.81 3i8h n LEU 187 Ca -0.15 -4.82 -0.34 0.00 -0.00 0.00 0.00 56.01 50.70 3i8h n LEU 187 Cb 0.57 -1.43 -0.05 0.00 -0.00 0.00 0.00 43.42 42.51 3i8h n LEU 187 CO 0.21 1.41 -0.13 0.00 -0.00 0.00 0.00 177.39 178.88 3i8h s ALA 188 N -0.53 3.93 0.29 1.96 0.00 -1.20 -4.24 121.76 121.96 3i8h s ALA 188 Ca 0.37 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.63 3i8h s ALA 188 Cb 0.06 -1.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.24 3i8h s ALA 188 CO 0.03 0.72 0.04 -0.40 0.00 0.00 0.00 175.76 176.15 3i8h n ASP 189 N 1.00 2.17 -0.62 0.00 5.75 -1.25 -1.95 116.55 121.64 3i8h n ASP 189 Ca -0.11 -2.37 0.48 0.00 -0.01 0.00 0.00 54.79 52.78 3i8h n ASP 189 Cb 0.53 0.39 0.75 0.00 -1.03 0.00 0.00 41.12 41.75 3i8h n ASP 189 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3i8h n THR 190 N -0.70 -0.05 -0.32 2.12 -2.24 -1.26 -0.52 114.28 111.31 3i8h n THR 190 Ca -0.09 1.46 0.17 0.00 -2.27 0.00 0.00 64.05 63.32 3i8h n THR 190 Cb 0.39 -2.43 0.35 0.00 -2.10 0.00 0.00 70.33 66.54 3i8h n THR 190 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3i8h h ASP 191 N 0.00 -0.13 -0.46 3.42 -0.00 -1.93 -2.92 116.42 114.40 3i8h h ASP 191 Ca 0.87 0.24 0.00 0.00 -0.00 0.00 0.00 57.03 58.15 3i8h h ASP 191 Cb 3.37 0.36 0.00 0.00 -0.00 0.00 0.00 39.33 43.06 3i8h h ASP 191 CO -0.10 -0.29 0.00 -1.20 -0.00 0.00 0.00 179.24 177.65 3i8h n SER 192 N -5.34 0.42 -4.14 2.28 7.64 0.32 -4.68 113.62 110.11 3i8h n SER 192 Ca 0.25 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.89 3i8h n SER 192 Cb 0.83 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.87 3i8h n SER 192 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3i8h s ASP 193 N 0.25 1.96 0.00 6.43 3.84 -1.26 -4.26 116.67 123.63 3i8h s ASP 193 Ca 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 52.55 52.24 3i8h s ASP 193 Cb 0.00 -0.30 0.00 0.00 -1.38 0.00 0.00 42.92 41.24 3i8h s ASP 193 CO 0.00 0.19 0.52 -0.81 -0.00 0.00 0.00 175.17 175.07 3i8h n PRO 194 N 2.79 0.00 0.00 2.11 -0.04 -1.26 -4.17 135.00 134.43 3i8h n PRO 194 Ca -0.15 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3i8h n PRO 194 Cb 0.54 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 3i8h n PRO 194 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i8h n ASP 195 N -0.87 0.00 -0.63 3.54 8.00 -1.26 0.45 116.55 125.77 3i8h n ASP 195 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 3i8h n ASP 195 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.24 3i8h n ASP 195 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i8h n LEU 196 N -1.71 1.81 -4.14 0.64 -0.00 -1.26 -4.74 117.00 107.60 3i8h n LEU 196 Ca 0.00 -0.91 -0.33 0.00 -0.00 0.00 0.00 56.01 54.77 3i8h n LEU 196 Cb 0.00 -0.26 -0.15 0.00 -0.00 0.00 0.00 43.42 43.01 3i8h n LEU 196 CO 0.00 0.40 -0.46 -0.69 -0.00 0.00 0.00 177.39 176.64 3i8h s VAL 197 N -1.62 2.41 0.14 1.47 1.01 0.17 -4.98 120.40 119.01 3i8h s VAL 197 Ca 0.20 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.74 3i8h s VAL 197 Cb 0.11 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3i8h s VAL 197 CO 0.13 0.25 1.59 0.44 0.00 0.00 0.00 175.10 177.50 3i8h h ASP 198 N 7.92 -1.23 -3.37 3.32 3.45 -1.70 -3.37 116.42 121.44 3i8h h ASP 198 Ca -0.33 0.17 -0.59 0.00 0.43 0.00 0.00 57.03 56.71 3i8h h ASP 198 Cb 1.10 0.52 -0.40 0.00 -0.56 0.00 0.00 39.33 39.99 3i8h h ASP 198 CO 0.56 -0.39 -0.76 -0.31 -1.57 0.00 0.00 179.24 176.77 3i8h s TYR 199 N -5.92 2.15 0.51 4.55 1.51 -0.02 -5.00 117.35 115.14 3i8h s TYR 199 Ca -0.15 -1.87 -0.13 0.00 -1.01 0.00 0.00 57.07 53.91 3i8h s TYR 199 Cb 0.10 -1.82 -0.06 0.00 -0.11 0.00 0.00 41.96 40.07 3i8h s TYR 199 CO 0.65 -0.84 0.93 0.42 -1.11 0.00 0.00 175.55 175.60 3i8h s ILE 200 N 1.47 4.67 -0.39 2.71 1.09 -1.26 -2.48 121.20 127.01 3i8h s ILE 200 Ca 0.05 0.89 0.09 0.00 -1.10 0.00 0.00 60.65 60.59 3i8h s ILE 200 Cb -0.18 -3.77 0.28 0.00 -1.06 0.00 0.00 42.46 37.73 3i8h s ILE 200 CO -0.16 -0.78 0.61 -0.38 -0.10 0.00 0.00 174.94 174.13 3i8h n ILE 201 N -1.87 -0.50 -1.56 2.92 2.08 0.63 -4.48 119.36 116.59 3i8h n ILE 201 Ca 0.05 -4.14 -0.53 0.00 0.56 0.00 0.00 62.75 58.69 3i8h n ILE 201 Cb 0.54 -1.27 -0.07 0.00 -0.75 0.00 0.00 39.64 38.09 3i8h n ILE 201 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 3i8h n PRO 202 N 1.01 1.19 0.00 0.38 -0.04 -1.23 -3.26 135.00 133.06 3i8h n PRO 202 Ca 0.22 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 3i8h n PRO 202 Cb 0.58 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 3i8h n PRO 202 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8h n GLY 203 N 5.53 1.68 1.77 0.55 0.00 -0.82 -4.71 105.19 109.19 3i8h n GLY 203 Ca 0.35 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 3i8h n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i8h n ASN 204 N 0.00 0.30 -1.19 1.61 4.05 -1.25 -3.84 115.26 114.94 3i8h n ASN 204 Ca 0.00 0.57 0.11 0.00 0.45 0.00 0.00 54.58 55.71 3i8h n ASN 204 Cb 0.00 -0.44 0.27 0.00 1.23 0.00 0.00 39.78 40.85 3i8h n ASN 204 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 3i8h n ASP 205 N 1.35 3.68 -0.92 1.20 5.75 -1.26 -4.55 116.55 121.81 3i8h n ASP 205 Ca 0.12 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 3i8h n ASP 205 Cb 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 3i8h n ASP 205 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3i8h n ASP 206 N 1.42 0.44 -3.15 -1.12 9.92 -1.26 -4.74 116.55 118.06 3i8h n ASP 206 Ca 0.21 -0.75 -0.09 0.00 -0.53 0.00 0.00 54.79 53.63 3i8h n ASP 206 Cb 0.58 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.07 3i8h n ASP 206 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i8h n ALA 207 N -3.00 -2.39 0.00 2.24 0.00 -1.26 -4.36 120.51 111.74 3i8h n ALA 207 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3i8h n ALA 207 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3i8h n ALA 207 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i8h n ILE 208 N 0.77 0.00 0.00 0.00 5.41 -1.25 -2.47 119.36 121.82 3i8h n ILE 208 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3i8h n ILE 208 Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.38 3i8h n ILE 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3i8h n ARG 209 N -1.55 0.00 0.01 0.38 5.12 -1.26 0.13 116.66 119.50 3i8h n ARG 209 Ca 0.00 0.07 -0.11 0.00 -1.93 0.00 0.00 57.85 55.88 3i8h n ARG 209 Cb 0.00 -0.14 -0.04 0.00 -1.16 0.00 0.00 32.46 31.12 3i8h n ARG 209 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3i8h h SER 210 N 0.00 -1.03 0.01 0.55 0.87 -1.68 -1.55 113.55 110.72 3i8h h SER 210 Ca 0.00 0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3i8h h SER 210 Cb 0.00 0.43 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 3i8h h SER 210 CO 0.00 -0.37 -0.37 0.40 -0.53 0.00 0.00 176.83 175.96 3i8h h ILE 211 N -0.42 0.00 -0.90 2.23 2.04 -1.30 0.31 117.51 119.47 3i8h h ILE 211 Ca 0.09 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.15 3i8h h ILE 211 Cb 0.56 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.47 3i8h h ILE 211 CO -0.34 0.00 -0.13 1.67 0.00 0.00 0.00 178.15 179.35 3i8h n GLN 212 N -4.53 -0.08 0.00 2.37 0.00 0.12 0.29 117.38 115.55 3i8h n GLN 212 Ca -0.05 1.38 0.00 0.00 -0.00 0.00 0.00 57.00 58.33 3i8h n GLN 212 Cb 0.27 -2.11 0.00 0.00 0.00 0.00 0.00 30.24 28.41 3i8h n GLN 212 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3i8h n LEU 213 N -5.40 0.77 -0.39 1.69 0.00 -0.43 -0.98 117.00 112.26 3i8h n LEU 213 Ca 0.17 0.42 0.32 0.00 0.00 0.00 0.00 56.01 56.92 3i8h n LEU 213 Cb 0.54 -0.06 0.59 0.00 0.00 0.00 0.00 43.42 44.49 3i8h n LEU 213 CO -0.09 -0.06 1.18 0.40 0.00 0.00 0.00 177.39 178.81 3i8h h ILE 214 N 0.00 0.16 -0.15 1.96 1.08 -0.66 0.42 117.51 120.32 3i8h h ILE 214 Ca 0.00 -0.05 -0.07 0.00 -0.39 0.00 0.00 64.86 64.35 3i8h h ILE 214 Cb 0.00 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 33.76 3i8h h ILE 214 CO 0.00 0.03 -0.18 0.25 -0.69 0.00 0.00 178.15 177.56 3i8h h LEU 215 N 0.14 0.42 0.00 1.44 7.12 -0.25 -3.11 115.31 121.07 3i8h h LEU 215 Ca 0.79 -0.50 0.00 0.00 0.13 0.00 0.00 57.88 58.31 3i8h h LEU 215 Cb 2.25 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 42.27 3i8h h LEU 215 CO -0.51 0.83 0.00 -0.24 -0.13 0.00 0.00 178.44 178.39 3i8h n SER 216 N -4.52 0.00 0.06 1.25 2.88 0.15 -1.14 113.62 112.29 3i8h n SER 216 Ca -0.06 0.41 0.01 0.00 -1.33 0.00 0.00 58.87 57.90 3i8h n SER 216 Cb 0.39 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.91 3i8h n SER 216 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i8h n ARG 217 N -0.59 0.02 -0.06 -1.46 1.74 -1.06 0.77 116.66 116.02 3i8h n ARG 217 Ca 0.00 0.27 -0.04 0.00 -0.77 0.00 0.00 57.85 57.31 3i8h n ARG 217 Cb 0.00 -1.97 -0.03 0.00 -1.02 0.00 0.00 32.46 29.44 3i8h n ARG 217 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i8h h ALA 218 N 0.57 0.00 -0.67 7.54 0.00 -1.28 -3.04 119.26 122.38 3i8h h ALA 218 Ca 0.00 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.88 3i8h h ALA 218 Cb 0.83 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 3i8h h ALA 218 CO 0.00 0.04 0.18 0.28 0.00 0.00 0.00 179.25 179.75 3i8h h VAL 219 N -1.00 0.61 0.19 0.00 2.07 0.19 -1.91 116.25 116.40 3i8h h VAL 219 Ca -0.01 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3i8h h VAL 219 Cb 0.28 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3i8h h VAL 219 CO -0.00 0.06 -0.22 0.44 0.02 0.00 0.00 177.57 177.86 3i8h h ASP 220 N 0.30 -0.60 -1.22 0.57 3.32 -1.59 0.16 116.42 117.37 3i8h h ASP 220 Ca 0.36 0.06 0.35 0.00 0.02 0.00 0.00 57.03 57.83 3i8h h ASP 220 Cb 0.57 0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.28 3i8h h ASP 220 CO -0.43 -0.32 1.02 0.25 -1.72 0.00 0.00 179.24 178.03 3i8h h LEU 221 N -0.45 0.00 0.01 1.55 7.12 -1.23 0.75 115.31 123.05 3i8h h LEU 221 Ca 0.01 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.02 3i8h h LEU 221 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 3i8h h LEU 221 CO -0.07 0.00 -0.00 0.40 -0.13 0.00 0.00 178.44 178.63 3i8h h ILE 222 N 0.00 0.86 -1.02 4.05 2.04 -0.44 -3.18 117.51 119.82 3i8h h ILE 222 Ca 0.58 -1.63 0.25 0.00 1.00 0.00 0.00 64.86 65.06 3i8h h ILE 222 Cb 2.60 1.63 -0.11 0.00 -0.74 0.00 0.00 36.82 40.20 3i8h h ILE 222 CO -0.01 0.29 0.63 0.40 0.00 0.00 0.00 178.15 179.46 3i8h h ILE 223 N -1.00 0.53 -0.27 -0.67 2.04 0.19 0.86 117.51 119.20 3i8h h ILE 223 Ca -0.00 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.74 3i8h h ILE 223 Cb 0.48 -0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.47 3i8h h ILE 223 CO 0.00 0.09 -0.18 -0.61 0.00 0.00 0.00 178.15 177.46 3i8h h GLN 224 N 0.52 -0.15 0.00 2.37 5.75 0.18 0.63 115.11 124.40 3i8h h GLN 224 Ca 0.63 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.14 3i8h h GLN 224 Cb 1.33 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.91 3i8h h GLN 224 CO -0.41 -0.10 0.00 0.00 -2.65 0.00 0.00 178.83 175.67 3i8h n ALA 225 N -2.72 1.60 0.00 3.38 0.00 0.29 -0.89 120.51 122.17 3i8h n ALA 225 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8h n ALA 225 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3i8h n ALA 225 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i8h n ARG 226 N -0.51 0.68 0.00 0.00 0.63 0.43 -4.00 116.66 113.88 3i8h n ARG 226 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i8h n ARG 226 Cb 0.00 -0.75 0.00 0.00 0.45 0.00 0.00 32.46 32.16 3i8h n ARG 226 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i8h n GLY 227 N 2.25 1.55 0.00 5.14 0.00 0.19 -5.10 105.19 109.23 3i8h n GLY 227 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3i8h n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8h n GLY 228 N 2.72 0.94 1.97 -0.02 0.00 -1.26 -4.91 105.19 104.62 3i8h n GLY 228 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3i8h n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i8h n VAL 229 N 0.00 1.80 0.00 1.61 0.31 -1.26 -4.82 118.33 115.97 3i8h n VAL 229 Ca 0.00 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 63.56 3i8h n VAL 229 Cb 0.00 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 3i8h n VAL 229 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3i8h n VAL 230 N 2.27 0.00 -0.27 2.52 0.24 -1.26 -4.78 118.33 117.05 3i8h n VAL 230 Ca 0.18 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.36 3i8h n VAL 230 Cb 0.52 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.87 3i8h n VAL 230 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i8h n GLU 231 N 0.00 0.00 -1.94 7.34 4.07 -1.26 -4.77 120.64 124.08 3i8h n GLU 231 Ca 0.00 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.70 3i8h n GLU 231 Cb 0.00 -0.29 -0.03 0.00 -0.06 0.00 0.00 31.44 31.07 3i8h n GLU 231 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 3i8h s PRO 232 N 0.94 2.89 0.70 5.31 0.02 -1.26 -4.95 135.00 138.65 3i8h s PRO 232 Ca 0.22 1.13 -0.16 0.00 0.02 0.00 0.00 61.00 62.21 3i8h s PRO 232 Cb -0.29 -4.33 -0.14 0.00 0.02 0.00 0.00 34.50 29.77 3i8h s PRO 232 CO 0.14 -2.39 -0.44 0.45 -0.33 0.00 0.00 177.00 174.42 3i8h n SER 233 N 12.02 -4.50 -4.77 2.53 2.88 -1.26 -4.93 113.62 115.58 3i8h n SER 233 Ca 0.24 0.37 -0.38 0.00 -1.33 0.00 0.00 58.87 57.77 3i8h n SER 233 Cb 0.50 -0.73 -0.04 0.00 -0.75 0.00 0.00 64.21 63.19 3i8h n SER 233 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3i8h s PRO 234 N -1.40 4.26 0.00 -1.46 0.04 -1.26 -4.80 135.00 130.39 3i8h s PRO 234 Ca 0.44 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.13 3i8h s PRO 234 Cb -0.30 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.50 3i8h s PRO 234 CO 0.68 -0.08 0.00 -1.13 0.04 0.00 0.00 177.00 176.51 3i8h n SER 235 N 0.28 0.00 -1.02 6.66 3.41 -1.26 -4.78 113.62 116.91 3i8h n SER 235 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3i8h n SER 235 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3i8h n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8h n TYR 236 N 0.00 0.00 0.00 7.33 9.36 -1.26 -4.70 117.16 127.89 3i8h n TYR 236 Ca 0.00 -0.30 0.00 0.00 3.32 0.00 0.00 57.90 60.92 3i8h n TYR 236 Cb 0.00 -0.19 0.00 0.00 -0.63 0.00 0.00 39.34 38.52 3i8h n TYR 236 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i8h n ALA 237 N 0.74 0.00 -0.20 2.98 0.00 -1.26 -4.35 120.51 118.42 3i8h n ALA 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8h n ALA 237 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3i8h n ALA 237 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i8h n LEU 238 N 0.00 2.24 -4.57 0.00 7.94 -1.26 -4.84 117.00 116.51 3i8h n LEU 238 Ca 0.00 -1.01 -0.48 0.00 -1.11 0.00 0.00 56.01 53.41 3i8h n LEU 238 Cb 0.00 -0.47 -0.05 0.00 0.53 0.00 0.00 43.42 43.43 3i8h n LEU 238 CO 0.00 0.42 1.70 0.52 -1.11 0.00 0.00 177.39 178.93 3i8h n VAL 239 N 1.77 0.36 0.00 1.96 0.31 -1.26 -5.15 118.33 116.32 3i8h n VAL 239 Ca 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3i8h n VAL 239 Cb 0.21 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 3i8h n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51