#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1led s THR 3 N 0.00 3.03 -0.03 3.41 -4.23 -1.26 -4.39 115.64 112.16 1led s THR 3 Ca 0.00 -1.86 0.06 0.00 -1.18 0.00 0.00 61.69 58.71 1led s THR 3 Cb 0.00 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 1led s THR 3 CO 0.00 -0.20 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.99 1led s VAL 4 N -1.93 2.62 -0.25 2.29 1.01 -1.26 -4.96 120.40 117.92 1led s VAL 4 Ca 0.26 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1led s VAL 4 Cb -0.08 -1.99 0.10 0.00 0.00 0.00 0.00 36.38 34.42 1led s VAL 4 CO 0.15 0.56 0.21 0.21 0.00 0.00 0.00 175.10 176.23 1led s ASN 5 N -0.76 2.09 0.05 3.32 2.47 -1.26 -0.76 114.94 120.09 1led s ASN 5 Ca 0.11 -0.68 0.01 0.00 0.42 0.00 0.00 52.86 52.72 1led s ASN 5 Cb -0.10 0.18 -0.03 0.00 -1.45 0.00 0.00 41.25 39.85 1led s ASN 5 CO 0.00 -0.38 -0.05 0.72 -3.72 0.00 0.00 177.10 173.67 1led s PHE 6 N 2.26 0.56 -0.04 0.43 -0.12 -0.26 -5.00 117.98 115.82 1led s PHE 6 Ca 0.08 -0.67 -0.02 0.00 -0.05 0.00 0.00 56.93 56.27 1led s PHE 6 Cb -0.15 -0.36 0.03 0.00 -0.63 0.00 0.00 43.02 41.91 1led s PHE 6 CO -0.24 -0.17 0.06 0.99 -0.05 0.00 0.00 175.22 175.81 1led s THR 7 N -2.21 -0.10 -0.33 -4.49 2.01 -1.26 -1.15 115.64 108.10 1led s THR 7 Ca -0.05 0.34 0.02 0.00 0.31 0.00 0.00 61.69 62.30 1led s THR 7 Cb -0.04 -0.15 0.09 0.00 0.01 0.00 0.00 72.50 72.41 1led s THR 7 CO -0.03 0.14 0.05 -0.31 -0.69 0.00 0.00 174.62 173.78 1led s TYR 8 N 1.76 3.57 0.29 4.92 2.02 0.11 -4.99 117.35 125.04 1led s TYR 8 Ca -0.01 -2.61 0.22 0.00 -0.37 0.00 0.00 57.07 54.31 1led s TYR 8 Cb -0.12 -2.70 1.04 0.00 -0.40 0.00 0.00 41.96 39.78 1led s TYR 8 CO -0.03 -0.92 1.90 -1.35 -1.57 0.00 0.00 175.55 173.57 1led h PRO 9 N 7.78 0.00 -2.79 -1.71 0.11 -1.91 -0.91 132.00 132.58 1led h PRO 9 Ca -0.11 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.08 1led h PRO 9 Cb 1.03 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1led h PRO 9 CO 0.55 0.24 0.36 0.16 -0.21 0.00 0.00 178.00 179.09 1led s ASP 10 N -6.35 -0.11 -0.28 -2.05 1.47 -1.26 -4.65 116.67 103.45 1led s ASP 10 Ca -0.01 -0.76 0.08 0.00 1.18 0.00 0.00 52.55 53.03 1led s ASP 10 Cb 0.12 0.68 0.45 0.00 -0.34 0.00 0.00 42.92 43.84 1led s ASP 10 CO 0.64 -1.31 1.20 0.49 0.68 0.00 0.00 175.17 176.86 1led n PHE 11 N -0.53 2.34 0.61 2.11 3.72 -1.21 -4.76 117.46 119.75 1led n PHE 11 Ca -0.06 -2.11 0.07 0.00 -0.05 0.00 0.00 57.45 55.30 1led n PHE 11 Cb 0.60 -0.33 0.34 0.00 -0.94 0.00 0.00 39.48 39.15 1led n PHE 11 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1led n TRP 12 N -0.77 0.00 -2.78 1.38 7.02 -1.26 -0.58 117.44 120.44 1led n TRP 12 Ca 0.40 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.46 1led n TRP 12 Cb 0.93 -0.35 0.01 0.00 -2.42 0.00 0.00 31.31 29.48 1led n TRP 12 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1led n SER 13 N -1.35 6.86 0.00 -0.99 2.88 -1.26 -4.56 113.62 115.21 1led n SER 13 Ca 0.06 -3.52 0.11 0.00 -1.33 0.00 0.00 58.87 54.19 1led n SER 13 Cb 0.13 -1.24 0.67 0.00 -0.75 0.00 0.00 64.21 63.02 1led n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1led n TYR 14 N 0.80 0.00 1.54 0.66 0.18 -1.23 -3.89 117.16 115.22 1led n TYR 14 Ca 0.37 0.00 0.14 0.00 1.88 0.00 0.00 57.90 60.29 1led n TYR 14 Cb 0.30 -0.01 0.63 0.00 -0.38 0.00 0.00 39.34 39.87 1led n TYR 14 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1led n SER 15 N -1.01 0.73 -4.77 9.48 2.88 -1.26 -4.92 113.62 114.74 1led n SER 15 Ca 0.17 -0.96 -0.41 0.00 -1.33 0.00 0.00 58.87 56.34 1led n SER 15 Cb 0.08 -0.02 -0.01 0.00 -0.75 0.00 0.00 64.21 63.52 1led n SER 15 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1led s LEU 16 N -2.25 4.35 0.30 2.46 1.02 -1.25 -4.97 118.68 118.34 1led s LEU 16 Ca 0.35 2.93 -0.29 0.00 0.02 0.00 0.00 54.13 57.14 1led s LEU 16 Cb 0.21 -3.66 -0.10 0.00 0.02 0.00 0.00 46.19 42.65 1led s LEU 16 CO 0.42 -0.78 1.41 -0.54 0.02 0.00 0.00 176.35 176.88 1led s LYS 17 N -1.87 4.26 0.16 1.70 1.02 -1.26 -4.94 119.74 118.81 1led s LYS 17 Ca 0.52 2.33 -0.34 0.00 0.02 0.00 0.00 55.97 58.51 1led s LYS 17 Cb -0.45 -3.07 -0.15 0.00 -0.52 0.00 0.00 37.83 33.65 1led s LYS 17 CO 0.59 -0.37 1.31 -1.71 -0.92 0.00 0.00 175.35 174.25 1led n ASN 18 N 1.47 1.95 0.00 2.83 5.15 -1.26 -1.87 115.26 123.53 1led n ASN 18 Ca 0.03 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.14 1led n ASN 18 Cb 0.40 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 38.37 1led n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1led n GLY 19 N 2.35 1.53 0.09 8.20 0.00 -0.37 -4.91 105.19 112.08 1led n GLY 19 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 1led n GLY 19 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1led h THR 20 N 0.00 1.10 0.00 2.61 1.35 -1.75 -3.44 112.91 112.78 1led h THR 20 Ca 0.00 -2.11 -0.28 0.00 -0.55 0.00 0.00 66.41 63.47 1led h THR 20 Cb 0.00 2.37 -0.04 0.00 -1.73 0.00 0.00 68.15 68.75 1led h THR 20 CO 0.00 0.37 -1.97 -0.62 -0.25 0.00 0.00 175.52 173.06 1led n GLU 21 N -4.51 0.39 -4.93 4.72 1.02 -1.26 -4.74 120.64 111.33 1led n GLU 21 Ca -0.22 0.13 -0.26 0.00 -0.02 0.00 0.00 57.16 56.78 1led n GLU 21 Cb 0.57 -1.22 -0.16 0.00 -0.02 0.00 0.00 31.44 30.61 1led n GLU 21 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1led s ILE 22 N -2.33 1.53 -0.16 -3.67 1.01 -1.26 -0.45 121.20 115.88 1led s ILE 22 Ca -0.24 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.56 1led s ILE 22 Cb 0.08 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 1led s ILE 22 CO 0.34 0.43 -0.01 -0.89 0.00 0.00 0.00 174.94 174.82 1led s THR 23 N -0.27 4.13 -0.17 2.92 2.01 -0.19 -1.24 115.64 122.84 1led s THR 23 Ca 0.03 -0.27 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 1led s THR 23 Cb -0.09 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1led s THR 23 CO 0.01 0.49 0.02 -0.36 -0.69 0.00 0.00 174.62 174.08 1led s PHE 24 N 0.30 3.15 0.13 4.92 0.40 -1.26 -1.45 117.98 124.17 1led s PHE 24 Ca -0.02 -0.09 0.10 0.00 -0.60 0.00 0.00 56.93 56.33 1led s PHE 24 Cb -0.14 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1led s PHE 24 CO 0.02 0.08 -0.25 -0.51 0.70 0.00 0.00 175.22 175.26 1led s LEU 25 N 0.33 2.33 0.00 -0.37 1.43 -0.00 -4.97 118.68 117.43 1led s LEU 25 Ca 0.00 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1led s LEU 25 Cb -0.13 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1led s LEU 25 CO 0.01 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1led n GLY 26 N 0.84 2.91 0.67 -3.19 0.00 -1.26 -1.57 105.19 103.59 1led n GLY 26 Ca -0.17 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.71 1led n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1led n ASP 27 N 5.54 1.98 -4.74 1.61 8.00 -0.11 -4.91 116.55 123.91 1led n ASP 27 Ca 0.00 -1.82 -0.41 0.00 0.71 0.00 0.00 54.79 53.27 1led n ASP 27 Cb 0.00 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.12 40.89 1led n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1led s ALA 28 N -1.67 3.36 0.04 2.24 0.00 -1.11 -4.02 121.76 120.62 1led s ALA 28 Ca 0.31 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1led s ALA 28 Cb 0.17 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1led s ALA 28 CO 0.24 -0.13 -0.04 -0.08 0.00 0.00 0.00 175.76 175.75 1led s THR 29 N -0.54 0.29 -0.11 0.00 -1.32 0.36 -4.46 115.64 109.86 1led s THR 29 Ca 0.47 -1.40 -0.22 0.00 -1.21 0.00 0.00 61.69 59.33 1led s THR 29 Cb -0.29 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.71 1led s THR 29 CO 0.35 -0.71 0.67 -0.60 -2.21 0.00 0.00 174.62 172.12 1led s ARG 30 N -2.69 4.37 0.29 7.08 3.52 -1.26 -0.21 118.95 130.05 1led s ARG 30 Ca -0.03 0.79 0.07 0.00 -0.13 0.00 0.00 55.73 56.43 1led s ARG 30 Cb -0.01 -3.48 -0.06 0.00 -1.56 0.00 0.00 34.95 29.84 1led s ARG 30 CO -0.05 -0.02 -0.07 0.96 -0.81 0.00 0.00 175.30 175.31 1led s ILE 31 N 1.11 1.81 -0.21 4.11 -4.36 -0.37 -4.92 121.20 118.37 1led s ILE 31 Ca 0.34 -2.16 -0.34 0.00 -0.26 0.00 0.00 60.65 58.24 1led s ILE 31 Cb -0.17 -2.48 -0.11 0.00 1.25 0.00 0.00 42.46 40.96 1led s ILE 31 CO 0.15 -0.29 2.02 -2.65 0.24 0.00 0.00 174.94 174.41 1led n PRO 32 N -0.62 1.71 -0.21 0.37 -0.02 -1.26 -2.25 135.00 132.71 1led n PRO 32 Ca -0.05 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1led n PRO 32 Cb 0.63 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1led n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1led n GLY 33 N 5.28 1.28 3.42 -1.23 0.00 0.25 -4.92 105.19 109.27 1led n GLY 33 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 1led n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1led s ALA 34 N -2.74 -1.53 -0.33 4.61 0.00 -0.96 -3.70 121.76 117.11 1led s ALA 34 Ca 0.00 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 52.37 1led s ALA 34 Cb 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1led s ALA 34 CO 0.00 -0.68 0.36 -0.51 0.00 0.00 0.00 175.76 174.93 1led s LEU 35 N -2.47 4.35 -0.20 0.00 1.43 -0.78 -1.23 118.68 119.78 1led s LEU 35 Ca -0.01 -0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 1led s LEU 35 Cb -0.01 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1led s LEU 35 CO -0.09 -0.30 0.40 -1.58 0.23 0.00 0.00 176.35 175.01 1led s GLN 36 N 2.02 4.18 0.06 1.70 0.74 0.70 -0.84 119.66 128.21 1led s GLN 36 Ca 0.12 0.20 0.12 0.00 0.05 0.00 0.00 55.36 55.85 1led s GLN 36 Cb -0.16 -3.53 -0.18 0.00 1.10 0.00 0.00 33.01 30.23 1led s GLN 36 CO 0.11 -0.03 0.96 -0.07 -0.55 0.00 0.00 175.29 175.72 1led h LEU 37 N 7.61 0.00 -9.19 3.68 3.38 -1.56 0.11 115.31 119.33 1led h LEU 37 Ca -0.36 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.15 1led h LEU 37 Cb 1.16 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.77 1led h LEU 37 CO 0.72 0.89 -0.60 0.42 0.09 0.00 0.00 178.44 179.96 1led s THR 38 N -2.72 1.06 0.29 0.22 -4.23 -1.26 -2.79 115.64 106.22 1led s THR 38 Ca -0.02 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.21 1led s THR 38 Cb 0.09 -2.74 -0.09 0.00 1.34 0.00 0.00 72.50 71.09 1led s THR 38 CO 0.81 0.00 1.05 -0.75 -0.54 0.00 0.00 174.62 175.19 1led s LYS 39 N -3.90 4.62 0.15 3.99 2.20 -1.26 -4.85 119.74 120.70 1led s LYS 39 Ca 0.36 1.67 0.08 0.00 -0.36 0.00 0.00 55.97 57.72 1led s LYS 39 Cb 0.08 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1led s LYS 39 CO 0.15 0.24 -0.17 0.95 -0.36 0.00 0.00 175.35 176.16 1led s THR 40 N -1.26 1.65 0.77 3.43 -4.23 -1.26 -1.40 115.64 113.35 1led s THR 40 Ca 0.46 -1.85 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 1led s THR 40 Cb -0.29 -1.74 0.18 0.00 1.34 0.00 0.00 72.50 71.99 1led s THR 40 CO 0.36 -0.35 1.05 -0.90 -0.54 0.00 0.00 174.62 174.25 1led n ASP 41 N 0.37 0.23 -0.31 3.99 5.68 0.90 -4.87 116.55 122.54 1led n ASP 41 Ca -0.14 -1.47 0.18 0.00 -0.50 0.00 0.00 54.79 52.85 1led n ASP 41 Cb 0.57 -0.79 0.36 0.00 -1.14 0.00 0.00 41.12 40.12 1led n ASP 41 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1led h ALA 42 N -1.65 1.49 -0.05 2.12 0.00 -2.02 0.17 119.26 119.32 1led h ALA 42 Ca -0.34 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1led h ALA 42 Cb 0.98 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1led h ALA 42 CO 0.26 -0.56 0.00 0.09 0.00 0.00 0.00 179.25 179.03 1led n ASN 43 N -5.24 0.65 -0.61 0.00 4.13 -1.26 -4.83 115.26 108.10 1led n ASN 43 Ca 0.26 -2.02 -0.08 0.00 1.68 0.00 0.00 54.58 54.41 1led n ASN 43 Cb 0.82 -0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.84 1led n ASN 43 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1led n GLY 44 N 0.42 0.97 3.73 7.41 0.00 0.58 -4.98 105.19 113.33 1led n GLY 44 Ca 0.02 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 1led n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1led s ASN 45 N -2.71 6.93 0.27 1.61 0.02 -1.24 -4.80 114.94 115.02 1led s ASN 45 Ca 0.00 1.12 -0.30 0.00 -1.02 0.00 0.00 52.86 52.66 1led s ASN 45 Cb 0.00 -2.38 -0.11 0.00 0.02 0.00 0.00 41.25 38.78 1led s ASN 45 CO 0.00 -0.02 1.62 -2.84 0.02 0.00 0.00 177.10 175.87 1led s PRO 46 N 0.44 4.13 0.27 -0.60 0.02 -1.26 -0.07 135.00 137.93 1led s PRO 46 Ca 0.33 2.58 -0.15 0.00 0.02 0.00 0.00 61.00 63.78 1led s PRO 46 Cb -0.17 -3.04 -0.08 0.00 0.02 0.00 0.00 34.50 31.23 1led s PRO 46 CO 0.17 -0.65 0.68 0.08 -0.33 0.00 0.00 177.00 176.94 1led s VAL 47 N 0.25 4.73 0.75 3.83 1.01 -0.49 -4.66 120.40 125.82 1led s VAL 47 Ca 0.66 0.89 -0.12 0.00 0.00 0.00 0.00 61.98 63.41 1led s VAL 47 Cb -0.48 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.28 1led s VAL 47 CO 0.44 -0.06 1.12 -0.13 0.00 0.00 0.00 175.10 176.48 1led s ARG 48 N -2.68 2.45 -0.98 2.72 0.52 -1.26 -4.63 118.95 115.09 1led s ARG 48 Ca 0.49 0.39 -0.14 0.00 -0.52 0.00 0.00 55.73 55.95 1led s ARG 48 Cb -0.12 -1.98 0.01 0.00 0.52 0.00 0.00 34.95 33.38 1led s ARG 48 CO 0.19 -1.31 0.66 0.43 0.02 0.00 0.00 175.30 175.29 1led n SER 49 N -3.18 -4.90 -4.05 0.23 7.64 -1.07 -4.83 113.62 103.46 1led n SER 49 Ca 0.07 -1.02 -0.13 0.00 1.01 0.00 0.00 58.87 58.80 1led n SER 49 Cb 0.58 -2.14 -0.12 0.00 -1.01 0.00 0.00 64.21 61.52 1led n SER 49 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1led s SER 50 N -3.22 0.84 -0.01 6.43 0.15 -0.63 -4.93 113.70 112.32 1led s SER 50 Ca 0.22 -0.51 -0.03 0.00 0.70 0.00 0.00 55.95 56.32 1led s SER 50 Cb -0.11 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1led s SER 50 CO 0.91 -0.18 0.07 0.00 1.20 0.00 0.00 173.24 175.23 1led s ALA 51 N -1.28 -0.16 0.13 5.45 0.00 -1.26 -0.74 121.76 123.91 1led s ALA 51 Ca -0.09 0.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.68 1led s ALA 51 Cb -0.09 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.04 1led s ALA 51 CO 0.00 -0.09 0.52 0.20 0.00 0.00 0.00 175.76 176.40 1led s GLY 52 N -0.47 -0.48 -0.01 0.00 0.00 -0.90 -0.93 107.32 104.54 1led s GLY 52 Ca -0.05 0.32 -0.00 0.00 0.00 0.00 0.00 44.72 44.98 1led s GLY 52 CO 0.00 0.02 0.01 1.20 0.00 0.00 0.00 173.10 174.33 1led s GLN 53 N -3.61 0.02 -0.20 2.90 -0.21 -0.61 -1.26 119.66 116.69 1led s GLN 53 Ca 0.01 0.02 0.01 0.00 0.02 0.00 0.00 55.36 55.42 1led s GLN 53 Cb 0.00 0.01 0.04 0.00 1.00 0.00 0.00 33.01 34.06 1led s GLN 53 CO -0.11 -0.00 -0.11 0.00 -2.12 0.00 0.00 175.29 172.94 1led s ALA 54 N 0.00 2.05 0.15 6.09 0.00 -0.45 -0.82 121.76 128.78 1led s ALA 54 Ca -0.00 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 50.82 1led s ALA 54 Cb -0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 1led s ALA 54 CO 0.00 -0.79 -0.18 -1.54 0.00 0.00 0.00 175.76 173.25 1led s SER 55 N 1.38 2.60 0.30 0.00 1.04 -0.53 -0.22 113.70 118.26 1led s SER 55 Ca -0.01 -0.83 -0.29 0.00 0.48 0.00 0.00 55.95 55.29 1led s SER 55 Cb -0.16 -0.15 -0.11 0.00 0.10 0.00 0.00 66.02 65.71 1led s SER 55 CO -0.08 -0.03 1.47 -0.47 0.98 0.00 0.00 173.24 175.10 1led s TYR 56 N -1.94 2.87 0.15 5.02 5.04 0.26 -1.02 117.35 127.73 1led s TYR 56 Ca 0.14 1.05 -0.11 0.00 -2.44 0.00 0.00 57.07 55.70 1led s TYR 56 Cb -0.06 -3.90 0.01 0.00 0.35 0.00 0.00 41.96 38.35 1led s TYR 56 CO 0.06 -2.85 1.56 0.77 -1.34 0.00 0.00 175.55 173.75 1led h SER 57 N 4.35 0.95 -4.00 4.32 0.02 -1.05 -3.42 113.55 114.72 1led h SER 57 Ca -0.48 -0.36 -0.49 0.00 -0.84 0.00 0.00 61.79 59.62 1led h SER 57 Cb 1.22 -0.26 0.04 0.00 0.14 0.00 0.00 62.40 63.55 1led h SER 57 CO 0.74 1.09 0.44 -1.61 -1.14 0.00 0.00 176.83 176.35 1led s GLU 58 N -4.80 3.91 0.42 3.45 2.02 -1.26 -5.01 118.70 117.43 1led s GLU 58 Ca -0.12 1.62 -0.26 0.00 0.02 0.00 0.00 54.97 56.23 1led s GLU 58 Cb 0.12 -2.41 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 1led s GLU 58 CO 0.85 -0.38 1.37 -2.14 0.02 0.00 0.00 175.26 174.98 1led s PRO 59 N -2.70 3.87 -0.20 0.39 0.02 -1.26 -4.78 135.00 130.34 1led s PRO 59 Ca 0.62 2.31 -0.05 0.00 0.02 0.00 0.00 61.00 63.90 1led s PRO 59 Cb -0.24 -2.74 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 1led s PRO 59 CO 0.30 -0.63 0.00 0.08 -0.33 0.00 0.00 177.00 176.42 1led s VAL 60 N -1.22 4.00 0.08 3.83 1.01 0.22 -4.90 120.40 123.41 1led s VAL 60 Ca 0.58 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.95 1led s VAL 60 Cb -0.41 -2.80 -0.07 0.00 0.00 0.00 0.00 36.38 33.10 1led s VAL 60 CO 0.53 0.43 1.28 0.12 0.00 0.00 0.00 175.10 177.47 1led s PHE 61 N 0.92 3.35 -0.13 5.22 5.36 -1.26 -0.67 117.98 130.77 1led s PHE 61 Ca 0.01 1.15 -0.04 0.00 -0.96 0.00 0.00 56.93 57.09 1led s PHE 61 Cb -0.14 -3.53 -0.07 0.00 -0.34 0.00 0.00 43.02 38.93 1led s PHE 61 CO 0.02 -1.76 -0.15 1.28 -1.46 0.00 0.00 175.22 173.14 1led n LEU 62 N 3.96 1.77 -3.67 6.12 4.77 0.16 -4.65 117.00 125.46 1led n LEU 62 Ca 0.10 0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1led n LEU 62 Cb 0.45 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1led n LEU 62 CO 0.57 0.46 0.49 -1.66 -1.33 0.00 0.00 177.39 175.92 1led s TRP 63 N -2.25 -0.31 0.24 -1.77 1.48 -1.17 0.05 118.94 115.20 1led s TRP 63 Ca -0.19 -0.02 -0.05 0.00 -1.06 0.00 0.00 56.10 54.79 1led s TRP 63 Cb 0.06 0.64 -0.02 0.00 -1.16 0.00 0.00 33.47 32.99 1led s TRP 63 CO 0.26 -1.01 0.29 0.16 -4.06 0.00 0.00 176.95 172.60 1led s ASP 64 N -2.83 0.21 0.39 -2.66 1.47 -0.60 -4.52 116.67 108.13 1led s ASP 64 Ca 0.07 -1.25 0.13 0.00 1.18 0.00 0.00 52.55 52.68 1led s ASP 64 Cb -0.03 0.49 0.96 0.00 -0.34 0.00 0.00 42.92 43.99 1led s ASP 64 CO -0.02 -1.00 1.88 0.77 0.68 0.00 0.00 175.17 177.49 1led h SER 65 N 2.42 0.51 0.00 2.11 4.64 -2.02 -2.81 113.55 118.40 1led h SER 65 Ca -0.31 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1led h SER 65 Cb 1.25 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1led h SER 65 CO 0.45 0.25 0.00 0.35 -0.87 0.00 0.00 176.83 177.00 1led n THR 66 N -4.52 0.00 0.00 2.95 -2.24 -1.26 -4.83 114.28 104.38 1led n THR 66 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1led n THR 66 Cb 0.54 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1led n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1led n GLY 67 N 0.13 2.97 3.69 3.38 0.00 -1.06 -5.02 105.19 109.28 1led n GLY 67 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1led n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1led n LYS 68 N -1.03 2.75 -3.85 1.61 5.02 -1.24 -4.86 118.16 116.55 1led n LYS 68 Ca 0.00 1.00 -0.12 0.00 -2.02 0.00 0.00 58.31 57.17 1led n LYS 68 Cb 0.00 -2.89 -0.14 0.00 -0.02 0.00 0.00 35.03 31.98 1led n LYS 68 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1led s ALA 69 N 2.80 -0.07 -0.13 7.82 0.00 -1.26 -1.55 121.76 129.36 1led s ALA 69 Ca 0.83 0.11 -0.23 0.00 0.00 0.00 0.00 51.96 52.66 1led s ALA 69 Cb -0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1led s ALA 69 CO 0.38 -0.02 0.72 0.00 0.00 0.00 0.00 175.76 176.84 1led s ALA 70 N 0.09 3.45 0.27 0.00 0.00 0.11 -4.49 121.76 121.18 1led s ALA 70 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.90 1led s ALA 70 Cb -0.01 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 1led s ALA 70 CO -0.00 -0.38 0.53 -1.12 0.00 0.00 0.00 175.76 174.78 1led s SER 71 N 1.01 6.45 0.15 0.00 0.01 0.44 -4.39 113.70 117.37 1led s SER 71 Ca 0.35 0.68 -0.15 0.00 1.31 0.00 0.00 55.95 58.14 1led s SER 71 Cb -0.17 -2.13 0.03 0.00 0.21 0.00 0.00 66.02 63.96 1led s SER 71 CO 0.14 -0.16 0.42 0.72 0.41 0.00 0.00 173.24 174.77 1led s PHE 72 N -2.03 -0.09 -0.03 2.43 -0.12 -0.35 -0.81 117.98 116.97 1led s PHE 72 Ca 0.43 -0.25 -0.01 0.00 -0.05 0.00 0.00 56.93 57.06 1led s PHE 72 Cb -0.11 0.25 0.03 0.00 -0.63 0.00 0.00 43.02 42.56 1led s PHE 72 CO 0.29 -0.77 0.06 -0.47 -0.05 0.00 0.00 175.22 174.28 1led s TYR 73 N -3.85 -0.03 -0.00 3.49 5.04 0.08 -0.52 117.35 121.56 1led s TYR 73 Ca 0.07 0.22 0.04 0.00 -2.44 0.00 0.00 57.07 54.96 1led s TYR 73 Cb 0.01 -0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.15 1led s TYR 73 CO -0.07 -0.10 -0.13 -0.08 -1.34 0.00 0.00 175.55 173.82 1led s THR 74 N 0.93 1.04 0.05 4.34 -1.32 -0.48 -0.55 115.64 119.66 1led s THR 74 Ca -0.08 -0.61 0.03 0.00 -1.21 0.00 0.00 61.69 59.82 1led s THR 74 Cb -0.11 -0.88 -0.03 0.00 -1.51 0.00 0.00 72.50 69.98 1led s THR 74 CO -0.03 0.26 -0.10 -0.94 -2.21 0.00 0.00 174.62 171.60 1led s SER 75 N -0.41 1.08 -0.02 8.08 1.04 0.05 -1.06 113.70 122.47 1led s SER 75 Ca 0.05 -0.57 -0.29 0.00 0.48 0.00 0.00 55.95 55.61 1led s SER 75 Cb -0.05 0.01 0.08 0.00 0.10 0.00 0.00 66.02 66.16 1led s SER 75 CO -0.00 -0.17 0.73 0.72 0.98 0.00 0.00 173.24 175.49 1led s PHE 76 N -1.38 -0.57 0.01 5.02 -0.71 -0.67 -1.03 117.98 118.66 1led s PHE 76 Ca -0.08 0.82 0.05 0.00 -1.04 0.00 0.00 56.93 56.69 1led s PHE 76 Cb -0.10 0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 42.14 1led s PHE 76 CO 0.01 -0.61 -0.14 0.95 -1.34 0.00 0.00 175.22 174.09 1led s THR 77 N -1.83 3.07 0.05 -4.49 -4.23 -1.14 -1.03 115.64 106.03 1led s THR 77 Ca -0.06 -0.98 -0.05 0.00 -1.18 0.00 0.00 61.69 59.41 1led s THR 77 Cb -0.00 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 1led s THR 77 CO 0.03 0.40 0.09 0.72 -0.54 0.00 0.00 174.62 175.32 1led s PHE 78 N -0.90 0.24 -0.27 3.99 -0.71 -0.36 -0.61 117.98 119.35 1led s PHE 78 Ca 0.15 -0.60 0.03 0.00 -1.04 0.00 0.00 56.93 55.46 1led s PHE 78 Cb -0.11 -0.17 0.07 0.00 -1.21 0.00 0.00 43.02 41.61 1led s PHE 78 CO 0.05 -0.40 -0.06 -1.17 -1.34 0.00 0.00 175.22 172.30 1led s LEU 79 N -2.37 3.54 -0.70 -1.99 2.96 -0.35 -1.24 118.68 118.53 1led s LEU 79 Ca -0.01 -1.53 -0.20 0.00 -0.22 0.00 0.00 54.13 52.16 1led s LEU 79 Cb 0.01 -1.48 0.11 0.00 0.50 0.00 0.00 46.19 45.33 1led s LEU 79 CO -0.06 -0.25 0.89 -0.22 -1.32 0.00 0.00 176.35 175.39 1led s LEU 80 N 1.12 5.06 -0.21 -0.68 2.96 -1.26 -0.84 118.68 124.84 1led s LEU 80 Ca -0.03 -1.49 -0.28 0.00 -0.22 0.00 0.00 54.13 52.10 1led s LEU 80 Cb -0.19 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1led s LEU 80 CO -0.06 -1.18 0.99 -0.75 -1.32 0.00 0.00 176.35 174.02 1led s LYS 81 N 3.00 4.28 -0.12 1.98 2.47 0.32 -3.96 119.74 127.71 1led s LYS 81 Ca 0.20 1.27 -0.02 0.00 -1.56 0.00 0.00 55.97 55.87 1led s LYS 81 Cb -0.17 -3.62 -0.03 0.00 -1.46 0.00 0.00 37.83 32.56 1led s LYS 81 CO 0.03 -0.54 -0.06 -0.80 0.16 0.00 0.00 175.35 174.14 1led s ASN 82 N 1.20 4.62 -0.54 1.43 -0.87 -1.26 -1.63 114.94 117.88 1led s ASN 82 Ca 0.43 -0.13 0.02 0.00 -1.57 0.00 0.00 52.86 51.60 1led s ASN 82 Cb -0.16 -1.56 0.44 0.00 -0.02 0.00 0.00 41.25 39.95 1led s ASN 82 CO 0.09 0.23 1.69 -1.22 -2.57 0.00 0.00 177.10 175.32 1led n TYR 83 N 3.11 3.06 -0.21 2.20 4.02 0.05 -4.92 117.16 124.47 1led n TYR 83 Ca -0.18 -2.70 0.00 0.00 -0.01 0.00 0.00 57.90 55.01 1led n TYR 83 Cb 0.53 -0.97 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 1led n TYR 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1led n GLY 84 N -0.78 0.40 2.83 2.72 0.00 -1.26 -4.97 105.19 104.12 1led n GLY 84 Ca 0.54 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 1led n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1led s ALA 85 N -1.12 0.06 1.02 4.61 0.00 -1.26 -4.54 121.76 120.53 1led s ALA 85 Ca 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.92 1led s ALA 85 Cb 0.00 -0.12 0.22 0.00 0.00 0.00 0.00 23.12 23.22 1led s ALA 85 CO 0.00 -0.05 1.28 -1.25 0.00 0.00 0.00 175.76 175.75 1led s PRO 86 N 0.50 0.19 0.34 0.00 0.04 -1.26 -5.20 135.00 129.61 1led s PRO 86 Ca -0.04 -0.36 0.04 0.00 0.04 0.00 0.00 61.00 60.68 1led s PRO 86 Cb -0.06 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1led s PRO 86 CO -0.01 -2.73 0.18 0.95 0.04 0.00 0.00 177.00 175.43 1led s THR 87 N -3.72 0.35 -0.01 1.26 -4.23 -1.26 -4.99 115.64 103.03 1led s THR 87 Ca 0.74 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 59.10 1led s THR 87 Cb -0.05 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.36 1led s THR 87 CO 0.54 0.00 0.30 0.00 -0.54 0.00 0.00 174.62 174.92 1led s ALA 88 N -3.44 -0.76 -0.14 3.99 0.00 -0.96 -4.14 121.76 116.32 1led s ALA 88 Ca 0.33 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.62 1led s ALA 88 Cb 0.04 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 1led s ALA 88 CO 0.19 -0.26 0.15 -0.25 0.00 0.00 0.00 175.76 175.59 1led n ASP 89 N 1.27 1.26 0.00 0.00 8.00 -0.92 -1.45 116.55 124.70 1led n ASP 89 Ca -0.22 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1led n ASP 89 Cb 0.56 1.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.71 1led n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1led n GLY 90 N 1.42 0.46 3.29 0.44 0.00 -1.22 -2.52 105.19 107.06 1led n GLY 90 Ca 0.00 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 43.68 1led n GLY 90 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1led s LEU 91 N 0.00 0.96 -0.10 0.99 2.34 -0.85 -3.29 118.68 118.73 1led s LEU 91 Ca 0.00 -1.28 -0.24 0.00 0.06 0.00 0.00 54.13 52.67 1led s LEU 91 Cb 0.00 0.71 0.06 0.00 -0.56 0.00 0.00 46.19 46.40 1led s LEU 91 CO 0.00 -0.91 0.57 0.00 -1.06 0.00 0.00 176.35 174.95 1led s ALA 92 N -4.12 -1.45 -0.10 1.48 0.00 0.32 -0.87 121.76 117.01 1led s ALA 92 Ca 0.35 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.41 1led s ALA 92 Cb 0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 1led s ALA 92 CO 0.11 -0.32 0.30 0.12 0.00 0.00 0.00 175.76 175.98 1led s PHE 93 N -0.71 3.57 0.20 0.00 5.36 -0.36 -0.42 117.98 125.62 1led s PHE 93 Ca -0.08 0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 56.57 1led s PHE 93 Cb -0.03 -2.25 -0.03 0.00 -0.34 0.00 0.00 43.02 40.37 1led s PHE 93 CO 0.06 0.47 0.18 -0.59 -1.46 0.00 0.00 175.22 173.87 1led s PHE 94 N -0.32 0.96 -0.06 10.12 -0.71 0.32 -0.98 117.98 127.31 1led s PHE 94 Ca 0.19 -1.23 -0.01 0.00 -1.04 0.00 0.00 56.93 54.83 1led s PHE 94 Cb -0.14 -0.41 0.03 0.00 -1.21 0.00 0.00 43.02 41.29 1led s PHE 94 CO 0.07 -0.68 0.01 -0.51 -1.34 0.00 0.00 175.22 172.77 1led s LEU 95 N -3.11 0.60 0.24 -1.99 1.02 0.18 -1.99 118.68 113.63 1led s LEU 95 Ca 0.33 -0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.43 1led s LEU 95 Cb 0.06 -0.38 -0.03 0.00 0.02 0.00 0.00 46.19 45.85 1led s LEU 95 CO 0.10 -0.19 0.21 0.00 0.02 0.00 0.00 176.35 176.49 1led s ALA 96 N 1.89 1.21 0.53 4.21 0.00 -0.75 -2.00 121.76 126.84 1led s ALA 96 Ca 0.03 -1.72 -0.22 0.00 0.00 0.00 0.00 51.96 50.05 1led s ALA 96 Cb -0.12 1.37 -0.06 0.00 0.00 0.00 0.00 23.12 24.31 1led s ALA 96 CO -0.04 -0.64 1.24 -2.30 0.00 0.00 0.00 175.76 174.02 1led n PRO 97 N -0.38 1.55 -0.20 0.00 -0.02 -1.26 -0.34 135.00 134.34 1led n PRO 97 Ca 0.03 0.57 0.19 0.00 -2.02 0.00 0.00 63.50 62.27 1led n PRO 97 Cb 0.64 -2.42 0.55 0.00 -0.02 0.00 0.00 33.50 32.25 1led n PRO 97 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1led h VAL 98 N 1.37 0.69 -0.00 -1.45 2.07 -1.84 -1.59 116.25 115.50 1led h VAL 98 Ca -0.49 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1led h VAL 98 Cb 1.32 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1led h VAL 98 CO 0.56 0.06 -0.17 -0.90 0.02 0.00 0.00 177.57 177.14 1led n ASP 99 N -4.47 0.46 -4.80 0.57 5.68 -1.26 -4.89 116.55 107.85 1led n ASP 99 Ca 0.17 -0.38 -0.30 0.00 -0.50 0.00 0.00 54.79 53.78 1led n ASP 99 Cb 0.68 -0.06 0.09 0.00 -1.14 0.00 0.00 41.12 40.69 1led n ASP 99 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1led s SER 100 N -2.65 4.61 0.34 -1.12 1.04 -0.60 -5.07 113.70 110.25 1led s SER 100 Ca 0.23 1.45 0.04 0.00 0.48 0.00 0.00 55.95 58.15 1led s SER 100 Cb 0.19 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 64.07 1led s SER 100 CO 0.53 -1.92 0.19 -0.55 0.98 0.00 0.00 173.24 172.47 1led s SER 101 N -3.78 1.90 0.29 7.02 0.15 -1.26 -5.04 113.70 112.98 1led s SER 101 Ca 0.60 -1.65 -0.29 0.00 0.70 0.00 0.00 55.95 55.31 1led s SER 101 Cb -0.15 0.47 -0.10 0.00 -1.71 0.00 0.00 66.02 64.53 1led s SER 101 CO 0.55 -0.95 1.38 0.54 1.20 0.00 0.00 173.24 175.96 1led s VAL 102 N -3.46 2.66 0.00 4.45 0.11 -1.26 -4.95 120.40 117.95 1led s VAL 102 Ca 0.34 0.60 0.00 0.00 -2.93 0.00 0.00 61.98 59.99 1led s VAL 102 Cb 0.04 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 1led s VAL 102 CO 0.20 0.12 0.00 0.29 -3.33 0.00 0.00 175.10 172.37 1led n LYS 103 N 1.56 2.13 -2.35 1.54 5.02 0.48 -5.01 118.16 121.53 1led n LYS 103 Ca 0.03 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.99 1led n LYS 103 Cb 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.40 1led n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1led s ASP 104 N 0.19 6.11 0.25 4.39 1.01 -0.08 -4.62 116.67 123.92 1led s ASP 104 Ca 0.00 1.91 0.00 0.00 0.71 0.00 0.00 52.55 55.17 1led s ASP 104 Cb 0.00 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1led s ASP 104 CO 0.00 -0.94 0.00 0.00 0.21 0.00 0.00 175.17 174.44 1led n TYR 105 N -1.36 -1.24 -4.65 4.23 0.18 -1.26 -0.83 117.16 112.23 1led n TYR 105 Ca 0.09 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.87 1led n TYR 105 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 1led n TYR 105 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1led n GLY 106 N 5.00 0.49 0.01 -7.48 0.00 -0.70 -3.44 105.19 99.08 1led n GLY 106 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 46.02 45.23 1led n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1led n GLY 107 N 0.00 -0.48 0.01 -0.02 0.00 -1.26 -1.63 105.19 101.81 1led n GLY 107 Ca 0.00 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.18 1led n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1led n PHE 108 N -1.52 0.00 -2.29 1.61 3.72 -1.22 -4.93 117.46 112.83 1led n PHE 108 Ca -0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1led n PHE 108 Cb 0.06 -0.36 -0.01 0.00 -0.94 0.00 0.00 39.48 38.22 1led n PHE 108 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1led n LEU 109 N -1.35 -1.25 0.00 4.37 4.77 -0.64 -0.44 117.00 122.45 1led n LEU 109 Ca 0.11 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1led n LEU 109 Cb 0.28 -2.26 0.00 0.00 -2.33 0.00 0.00 43.42 39.11 1led n LEU 109 CO 0.25 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1led n GLY 110 N -0.76 0.41 0.02 -0.72 0.00 -0.01 -3.22 105.19 100.91 1led n GLY 110 Ca -0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1led n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1led n LEU 111 N 0.00 0.00 -4.22 0.99 4.77 0.41 -0.39 117.00 118.57 1led n LEU 111 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1led n LEU 111 Cb 0.13 0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1led n LEU 111 CO 0.00 0.07 -0.42 -0.36 -1.33 0.00 0.00 177.39 175.35 1led s PHE 112 N -3.01 1.19 -0.23 -1.77 0.08 -1.16 -4.81 117.98 108.27 1led s PHE 112 Ca -0.06 -0.69 -0.13 0.00 0.12 0.00 0.00 56.93 56.16 1led s PHE 112 Cb 0.10 -0.63 -0.04 0.00 -0.57 0.00 0.00 43.02 41.87 1led s PHE 112 CO 0.68 0.05 0.28 1.03 -0.10 0.00 0.00 175.22 177.16 1led s ARG 113 N -3.21 4.11 0.21 0.44 1.81 -1.26 -0.90 118.95 120.15 1led s ARG 113 Ca 0.11 -0.04 0.06 0.00 -1.72 0.00 0.00 55.73 54.14 1led s ARG 113 Cb -0.01 -3.55 0.64 0.00 -0.45 0.00 0.00 34.95 31.58 1led s ARG 113 CO 0.01 -0.01 1.00 1.58 -0.68 0.00 0.00 175.30 177.19 1led n HIS 114 N 4.46 0.54 0.10 -0.53 -0.00 -1.26 -1.59 115.22 116.95 1led n HIS 114 Ca -0.12 0.76 0.00 0.00 -0.00 0.00 0.00 57.72 58.37 1led n HIS 114 Cb 0.51 -1.06 0.31 0.00 -0.00 0.00 0.00 29.99 29.75 1led n HIS 114 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1led h GLU 115 N 0.00 0.24 -0.03 1.57 3.07 -2.06 -3.29 114.58 114.08 1led h GLU 115 Ca 0.45 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1led h GLU 115 Cb 1.05 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1led h GLU 115 CO -0.55 0.49 0.00 0.25 -1.40 0.00 0.00 179.01 177.80 1led n THR 116 N -4.16 1.23 0.13 1.13 -2.24 -0.62 -4.83 114.28 104.91 1led n THR 116 Ca -0.01 -1.30 0.11 0.00 -2.27 0.00 0.00 64.05 60.58 1led n THR 116 Cb 0.37 0.32 0.61 0.00 -2.10 0.00 0.00 70.33 69.53 1led n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1led h ALA 117 N 0.18 2.09 -0.54 6.98 0.00 -1.51 -2.16 119.26 124.31 1led h ALA 117 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1led h ALA 117 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1led h ALA 117 CO 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.11 1led n ALA 118 N -2.55 2.88 -3.76 0.00 0.00 -1.26 -1.38 120.51 114.44 1led n ALA 118 Ca 0.02 -1.62 -0.37 0.00 0.00 0.00 0.00 53.44 51.48 1led n ALA 118 Cb 0.24 -0.86 -0.11 0.00 0.00 0.00 0.00 19.45 18.73 1led n ALA 118 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1led s ASP 119 N -1.09 5.30 0.48 0.00 -1.08 -0.81 -4.98 116.67 114.49 1led s ASP 119 Ca 0.45 -2.04 0.20 0.00 -0.52 0.00 0.00 52.55 50.63 1led s ASP 119 Cb 0.29 -1.85 1.22 0.00 -1.46 0.00 0.00 42.92 41.13 1led s ASP 119 CO 0.21 -0.55 1.99 -0.65 0.52 0.00 0.00 175.17 176.68 1led h PRO 120 N 8.06 0.18 0.00 4.34 0.11 -1.83 -2.26 132.00 140.60 1led h PRO 120 Ca -0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1led h PRO 120 Cb 1.05 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1led h PRO 120 CO 0.71 0.12 0.00 0.66 -0.21 0.00 0.00 178.00 179.28 1led h SER 121 N 0.19 0.00 -0.23 -2.05 4.64 -1.94 -2.80 113.55 111.36 1led h SER 121 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1led h SER 121 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1led h SER 121 CO -0.05 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.20 1led n LYS 122 N -2.96 2.42 -4.24 4.77 4.76 -0.85 -4.95 118.16 117.11 1led n LYS 122 Ca 0.01 -2.13 -0.19 0.00 -2.87 0.00 0.00 58.31 53.13 1led n LYS 122 Cb 0.28 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 31.86 1led n LYS 122 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1led s ASN 123 N -1.71 1.62 -0.49 4.39 0.01 -1.06 -5.06 114.94 112.64 1led s ASN 123 Ca 0.34 -0.54 0.03 0.00 -0.71 0.00 0.00 52.86 51.98 1led s ASN 123 Cb 0.21 -0.07 0.15 0.00 0.41 0.00 0.00 41.25 41.96 1led s ASN 123 CO 0.31 -0.03 0.32 -1.10 -1.51 0.00 0.00 177.10 175.09 1led s GLN 124 N -1.47 1.46 -0.27 -0.60 -0.21 -1.26 -4.77 119.66 112.54 1led s GLN 124 Ca -0.01 -2.33 -0.25 0.00 0.02 0.00 0.00 55.36 52.79 1led s GLN 124 Cb -0.09 -2.36 0.08 0.00 1.00 0.00 0.00 33.01 31.64 1led s GLN 124 CO 0.02 -1.24 0.79 0.54 -2.12 0.00 0.00 175.29 173.27 1led s VAL 125 N -0.13 0.00 -0.10 1.09 0.11 -1.26 -4.14 120.40 115.97 1led s VAL 125 Ca 0.23 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.30 1led s VAL 125 Cb -0.13 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1led s VAL 125 CO -0.08 0.00 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.83 1led s VAL 126 N 0.38 1.54 0.01 2.04 1.01 -0.85 0.08 120.40 124.61 1led s VAL 126 Ca 0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1led s VAL 126 Cb -0.05 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1led s VAL 126 CO -0.01 0.45 0.05 0.00 0.00 0.00 0.00 175.10 175.58 1led s ALA 127 N 0.82 -0.09 -0.31 5.51 0.00 -0.37 -0.64 121.76 126.68 1led s ALA 127 Ca -0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 1led s ALA 127 Cb -0.16 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1led s ALA 127 CO 0.01 -0.17 0.11 0.08 0.00 0.00 0.00 175.76 175.79 1led s VAL 128 N -1.29 4.12 -0.02 0.00 1.01 -0.15 -0.37 120.40 123.70 1led s VAL 128 Ca -0.14 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1led s VAL 128 Cb -0.08 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1led s VAL 128 CO 0.00 0.01 0.09 -1.83 0.00 0.00 0.00 175.10 173.38 1led s GLU 129 N 1.51 3.14 -0.55 2.72 -1.05 0.35 -1.22 118.70 123.59 1led s GLU 129 Ca 0.02 -0.43 0.02 0.00 -0.15 0.00 0.00 54.97 54.43 1led s GLU 129 Cb -0.18 -2.91 0.14 0.00 -0.44 0.00 0.00 34.13 30.74 1led s GLU 129 CO 0.04 0.67 0.31 -0.06 0.95 0.00 0.00 175.26 177.17 1led s PHE 130 N -1.17 3.24 -0.34 4.83 0.08 -0.05 -0.80 117.98 123.77 1led s PHE 130 Ca 0.22 -3.06 -0.22 0.00 0.12 0.00 0.00 56.93 53.99 1led s PHE 130 Cb -0.12 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.41 1led s PHE 130 CO 0.13 -0.77 0.74 0.34 -0.10 0.00 0.00 175.22 175.57 1led s ASP 131 N -0.05 6.55 0.00 1.36 -1.08 0.13 -2.00 116.67 121.59 1led s ASP 131 Ca 0.17 0.40 0.23 0.00 -0.52 0.00 0.00 52.55 52.83 1led s ASP 131 Cb -0.24 -2.38 0.20 0.00 -1.46 0.00 0.00 42.92 39.03 1led s ASP 131 CO -0.01 -0.66 1.20 0.35 0.52 0.00 0.00 175.17 176.57 1led n THR 132 N 5.66 0.00 -4.87 1.71 -2.24 -1.05 -1.94 114.28 111.56 1led n THR 132 Ca 0.02 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.50 1led n THR 132 Cb 0.48 0.55 -0.17 0.00 -2.10 0.00 0.00 70.33 69.10 1led n THR 132 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1led s TRP 133 N -3.01 2.10 -0.68 4.78 -0.11 -1.25 -4.52 118.94 116.25 1led s TRP 133 Ca 0.10 -0.87 -0.26 0.00 1.22 0.00 0.00 56.10 56.29 1led s TRP 133 Cb 0.17 -1.45 0.04 0.00 -1.50 0.00 0.00 33.47 30.72 1led s TRP 133 CO 0.77 -0.39 1.16 0.42 -4.62 0.00 0.00 176.95 174.30 1led s ILE 134 N 0.56 3.96 -0.83 5.86 1.01 -1.26 -4.91 121.20 125.60 1led s ILE 134 Ca -0.15 0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.58 1led s ILE 134 Cb -0.17 -4.80 0.12 0.00 0.01 0.00 0.00 42.46 37.61 1led s ILE 134 CO 0.05 -1.63 1.05 0.20 0.00 0.00 0.00 174.94 174.61 1led s ASN 135 N 3.54 6.48 0.26 3.58 -0.87 -1.26 -4.87 114.94 121.79 1led s ASN 135 Ca 0.33 -1.75 -0.02 0.00 -1.57 0.00 0.00 52.86 49.85 1led s ASN 135 Cb -0.10 -2.39 0.47 0.00 -0.02 0.00 0.00 41.25 39.20 1led s ASN 135 CO 0.16 -1.15 1.79 0.11 -2.57 0.00 0.00 177.10 175.43 1led h LYS 136 N 9.03 0.71 0.00 -0.60 1.57 -1.91 -1.73 116.57 123.64 1led h LYS 136 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1led h LYS 136 Cb 1.04 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1led h LYS 136 CO 1.12 0.47 0.00 -0.40 -0.57 0.00 0.00 179.45 180.07 1led n ASP 137 N -4.79 0.02 -0.41 0.86 5.75 -1.26 -2.67 116.55 114.06 1led n ASP 137 Ca 0.15 0.51 0.07 0.00 -0.01 0.00 0.00 54.79 55.51 1led n ASP 137 Cb 0.35 -0.51 0.15 0.00 -1.03 0.00 0.00 41.12 40.08 1led n ASP 137 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1led n TRP 138 N -1.53 0.00 -2.00 2.11 7.02 -0.71 -4.99 117.44 117.35 1led n TRP 138 Ca 0.03 -1.10 -0.12 0.00 -1.02 0.00 0.00 57.50 55.29 1led n TRP 138 Cb 0.16 -0.18 -0.02 0.00 -2.42 0.00 0.00 31.31 28.85 1led n TRP 138 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1led n ASN 139 N -1.08 -4.08 -4.77 -0.99 3.02 -1.09 -4.50 115.26 101.77 1led n ASN 139 Ca 0.15 0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.37 1led n ASN 139 Cb 0.70 -3.12 -0.01 0.00 -0.61 0.00 0.00 39.78 36.73 1led n ASN 139 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1led s ASP 140 N -2.55 6.62 0.83 6.41 1.01 -0.86 -4.91 116.67 123.21 1led s ASP 140 Ca 0.00 2.81 -0.14 0.00 0.71 0.00 0.00 52.55 55.93 1led s ASP 140 Cb 0.00 -2.65 0.05 0.00 1.01 0.00 0.00 42.92 41.32 1led s ASP 140 CO 0.00 -0.66 0.86 -0.81 0.21 0.00 0.00 175.17 174.76 1led n PRO 141 N 0.84 0.07 -0.47 8.23 -0.04 -1.26 -4.77 135.00 137.59 1led n PRO 141 Ca 0.01 0.09 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1led n PRO 141 Cb 0.41 -2.16 -0.01 0.00 -0.04 0.00 0.00 33.50 31.70 1led n PRO 141 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1led n PRO 142 N -2.35 0.95 -3.48 0.54 -0.04 -1.26 -4.75 135.00 124.61 1led n PRO 142 Ca 0.11 -0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 1led n PRO 142 Cb 0.51 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 1led n PRO 142 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1led s TYR 143 N 0.33 -0.45 0.27 0.54 -0.85 -1.26 -5.10 117.35 110.84 1led s TYR 143 Ca 0.05 0.36 -0.29 0.00 -0.52 0.00 0.00 57.07 56.66 1led s TYR 143 Cb 0.02 0.53 -0.14 0.00 0.38 0.00 0.00 41.96 42.76 1led s TYR 143 CO 0.00 -0.66 1.13 -0.35 -1.52 0.00 0.00 175.55 174.15 1led n PRO 144 N -0.15 1.54 -3.93 -3.49 -0.04 -1.26 -4.83 135.00 122.84 1led n PRO 144 Ca -0.13 0.54 -0.09 0.00 -0.04 0.00 0.00 63.50 63.78 1led n PRO 144 Cb 0.62 -2.00 -0.07 0.00 -0.04 0.00 0.00 33.50 32.01 1led n PRO 144 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1led s HIS 145 N -0.80 0.34 -0.11 0.54 -3.43 -0.82 -1.00 115.29 110.01 1led s HIS 145 Ca 0.62 -0.72 -0.03 0.00 -0.80 0.00 0.00 55.06 54.13 1led s HIS 145 Cb -0.70 -0.06 -0.03 0.00 -1.43 0.00 0.00 32.58 30.36 1led s HIS 145 CO 0.58 -0.67 0.01 0.42 -2.00 0.00 0.00 174.74 173.08 1led s ILE 146 N -3.94 4.40 0.09 -5.38 1.01 -0.69 -0.69 121.20 116.00 1led s ILE 146 Ca 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 1led s ILE 146 Cb 0.04 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 1led s ILE 146 CO -0.03 0.58 0.11 -0.83 0.00 0.00 0.00 174.94 174.77 1led s GLY 147 N -0.62 0.36 -0.19 6.18 0.00 0.02 -1.57 107.32 111.50 1led s GLY 147 Ca 0.10 -0.94 -0.03 0.00 0.00 0.00 0.00 44.72 43.86 1led s GLY 147 CO 0.02 -1.04 -0.07 -0.42 0.00 0.00 0.00 173.10 171.59 1led s ILE 148 N -3.91 3.34 -0.19 0.90 1.01 -0.39 -0.50 121.20 121.46 1led s ILE 148 Ca 0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1led s ILE 148 Cb 0.06 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1led s ILE 148 CO -0.08 0.46 -0.05 -1.81 0.00 0.00 0.00 174.94 173.46 1led s ASP 149 N 1.03 4.47 -0.27 3.58 1.01 0.51 -0.08 116.67 126.91 1led s ASP 149 Ca 0.00 -0.29 0.01 0.00 0.71 0.00 0.00 52.55 52.99 1led s ASP 149 Cb -0.15 -1.75 0.08 0.00 1.01 0.00 0.00 42.92 42.11 1led s ASP 149 CO -0.00 0.06 -0.01 -0.69 0.21 0.00 0.00 175.17 174.74 1led s VAL 150 N 0.99 1.66 -1.73 -1.27 1.01 -1.26 -1.23 120.40 118.56 1led s VAL 150 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1led s VAL 150 Cb -0.15 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1led s VAL 150 CO 0.01 -0.31 0.00 0.59 0.00 0.00 0.00 175.10 175.39 1led n ASN 151 N 4.58 -4.91 -3.56 3.32 3.02 0.11 -4.91 115.26 112.91 1led n ASN 151 Ca -0.07 0.40 -0.13 0.00 -0.03 0.00 0.00 54.58 54.76 1led n ASN 151 Cb 0.43 -4.21 -0.05 0.00 -0.61 0.00 0.00 39.78 35.33 1led n ASN 151 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1led s SER 152 N -2.47 -0.45 0.27 6.41 0.15 -1.26 -3.57 113.70 112.78 1led s SER 152 Ca 0.00 0.49 0.25 0.00 0.70 0.00 0.00 55.95 57.39 1led s SER 152 Cb 0.00 0.37 0.98 0.00 -1.71 0.00 0.00 66.02 65.66 1led s SER 152 CO 0.00 -0.42 1.74 -0.29 1.20 0.00 0.00 173.24 175.47 1led h ILE 153 N 2.69 0.00 -2.53 6.45 6.09 -1.58 -3.40 117.51 125.23 1led h ILE 153 Ca -0.21 -0.30 -0.60 0.00 -1.37 0.00 0.00 64.86 62.39 1led h ILE 153 Cb 1.16 1.09 -0.12 0.00 0.47 0.00 0.00 36.82 39.42 1led h ILE 153 CO 0.33 0.00 0.74 -0.69 -3.07 0.00 0.00 178.15 175.46 1led s VAL 154 N -3.31 4.10 0.23 2.19 1.01 -1.26 -5.00 120.40 118.36 1led s VAL 154 Ca 0.05 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 1led s VAL 154 Cb 0.10 -4.78 -0.14 0.00 0.00 0.00 0.00 36.38 31.56 1led s VAL 154 CO 0.44 -1.61 1.26 -1.20 0.00 0.00 0.00 175.10 173.99 1led n SER 155 N 8.32 2.05 0.09 3.32 7.64 -1.26 -4.75 113.62 129.03 1led n SER 155 Ca -0.01 1.15 0.12 0.00 1.01 0.00 0.00 58.87 61.14 1led n SER 155 Cb 0.47 -1.33 0.45 0.00 -1.01 0.00 0.00 64.21 62.79 1led n SER 155 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1led n VAL 156 N 1.47 0.73 -3.58 0.44 0.24 0.88 -4.80 118.33 113.72 1led n VAL 156 Ca 0.12 0.08 -0.13 0.00 -2.04 0.00 0.00 64.34 62.38 1led n VAL 156 Cb 0.29 -0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 31.67 1led n VAL 156 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1led s ALA 157 N -3.19 -1.88 0.16 2.33 0.00 -1.24 -5.01 121.76 112.94 1led s ALA 157 Ca 0.07 1.61 -0.05 0.00 0.00 0.00 0.00 51.96 53.59 1led s ALA 157 Cb 0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1led s ALA 157 CO 0.44 -0.32 0.19 0.95 0.00 0.00 0.00 175.76 177.02 1led s THR 158 N -0.73 0.07 -0.02 0.00 -4.23 -1.26 -1.26 115.64 108.21 1led s THR 158 Ca -0.03 -1.67 -0.08 0.00 -1.18 0.00 0.00 61.69 58.73 1led s THR 158 Cb -0.02 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.80 1led s THR 158 CO 0.03 -0.30 0.16 0.28 -0.54 0.00 0.00 174.62 174.25 1led s THR 159 N -4.03 0.06 0.30 3.99 -1.32 -0.61 -4.96 115.64 109.07 1led s THR 159 Ca 0.23 -0.50 -0.30 0.00 -1.21 0.00 0.00 61.69 59.91 1led s THR 159 Cb 0.05 -0.40 -0.12 0.00 -1.51 0.00 0.00 72.50 70.52 1led s THR 159 CO 0.03 -0.27 1.59 -1.14 -2.21 0.00 0.00 174.62 172.61 1led n ARG 160 N 1.83 2.69 -3.87 7.08 0.63 -1.26 -1.70 116.66 122.06 1led n ARG 160 Ca -0.20 0.96 -0.36 0.00 -0.92 0.00 0.00 57.85 57.33 1led n ARG 160 Cb 0.56 -2.73 -0.13 0.00 0.45 0.00 0.00 32.46 30.61 1led n ARG 160 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 1led s TRP 161 N -0.05 3.19 0.37 -0.14 -0.00 -0.17 -4.75 118.94 117.38 1led s TRP 161 Ca 0.64 -1.55 -0.28 0.00 -0.00 0.00 0.00 56.10 54.90 1led s TRP 161 Cb -0.50 -2.15 -0.11 0.00 -0.00 0.00 0.00 33.47 30.71 1led s TRP 161 CO 0.49 -0.73 1.49 -1.21 -0.00 0.00 0.00 176.95 176.99 1led s GLU 162 N 1.34 4.12 0.32 5.86 2.02 -1.26 -4.34 118.70 126.76 1led s GLU 162 Ca -0.02 2.56 0.08 0.00 0.02 0.00 0.00 54.97 57.61 1led s GLU 162 Cb -0.18 -2.98 0.91 0.00 0.10 0.00 0.00 34.13 31.98 1led s GLU 162 CO -0.01 -0.53 1.62 -0.91 0.02 0.00 0.00 175.26 175.46 1led h ASN 163 N 3.18 0.05 0.25 -0.19 2.35 -1.98 0.49 115.58 119.72 1led h ASN 163 Ca -0.50 0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.43 1led h ASN 163 Cb 1.24 0.29 -0.01 0.00 0.05 0.00 0.00 38.32 39.89 1led h ASN 163 CO 0.65 -0.25 -0.18 0.44 -1.65 0.00 0.00 177.43 176.45 1led h ASP 164 N 0.15 0.00 0.05 5.81 3.32 -1.94 0.35 116.42 124.16 1led h ASP 164 Ca 0.65 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.42 1led h ASP 164 Cb 1.45 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.97 1led h ASP 164 CO -0.72 0.18 -1.55 0.47 -1.72 0.00 0.00 179.24 175.89 1led n ASP 165 N -4.08 1.96 -0.32 6.45 8.00 0.14 -2.38 116.55 126.32 1led n ASP 165 Ca -0.02 0.35 0.02 0.00 0.71 0.00 0.00 54.79 55.84 1led n ASP 165 Cb 0.25 -0.93 0.16 0.00 -0.02 0.00 0.00 41.12 40.58 1led n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1led h ALA 166 N -0.30 1.24 -0.34 2.24 0.00 -0.61 -2.74 119.26 118.74 1led h ALA 166 Ca -0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1led h ALA 166 Cb 1.57 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1led h ALA 166 CO -0.11 0.26 0.00 0.66 0.00 0.00 0.00 179.25 180.06 1led n TYR 167 N -4.63 0.86 1.14 0.00 4.01 0.10 -4.65 117.16 114.00 1led n TYR 167 Ca 0.14 -0.71 0.13 0.00 -0.16 0.00 0.00 57.90 57.30 1led n TYR 167 Cb 0.21 -0.21 0.40 0.00 -0.31 0.00 0.00 39.34 39.44 1led n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1led n GLY 168 N 0.07 -1.07 3.31 2.72 0.00 -1.00 -4.81 105.19 104.41 1led n GLY 168 Ca 0.18 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1led n GLY 168 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1led n SER 169 N -1.18 -5.17 -4.91 1.61 7.64 -1.25 -5.00 113.62 105.36 1led n SER 169 Ca 0.09 -0.41 -0.26 0.00 1.01 0.00 0.00 58.87 59.30 1led n SER 169 Cb 0.33 -4.18 -0.04 0.00 -1.01 0.00 0.00 64.21 59.31 1led n SER 169 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1led s SER 170 N -2.85 6.11 0.19 6.43 0.01 -1.26 -4.90 113.70 117.43 1led s SER 170 Ca 0.41 0.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.45 1led s SER 170 Cb -0.20 -1.78 -0.09 0.00 0.21 0.00 0.00 66.02 64.17 1led s SER 170 CO 0.51 0.04 1.32 -0.63 0.41 0.00 0.00 173.24 174.89 1led s ILE 171 N -1.77 3.23 0.12 1.44 1.01 -1.26 -4.55 121.20 119.42 1led s ILE 171 Ca 0.34 1.00 0.10 0.00 0.00 0.00 0.00 60.65 62.08 1led s ILE 171 Cb -0.11 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1led s ILE 171 CO 0.27 0.14 -0.23 0.00 0.00 0.00 0.00 174.94 175.12 1led s ALA 172 N 0.24 2.09 -0.17 9.38 0.00 -0.38 -4.57 121.76 128.35 1led s ALA 172 Ca 0.58 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1led s ALA 172 Cb -0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1led s ALA 172 CO 0.37 0.42 -0.09 0.99 0.00 0.00 0.00 175.76 177.45 1led s THR 173 N -1.23 3.22 0.00 0.00 2.01 -0.64 -1.23 115.64 117.79 1led s THR 173 Ca 0.11 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 61.59 1led s THR 173 Cb -0.10 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1led s THR 173 CO 0.05 0.49 -0.15 0.00 -0.69 0.00 0.00 174.62 174.32 1led s ALA 174 N 0.76 2.67 -0.11 7.40 0.00 -0.20 -0.96 121.76 131.33 1led s ALA 174 Ca -0.04 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1led s ALA 174 Cb -0.15 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.12 1led s ALA 174 CO 0.02 0.57 -0.12 -1.01 0.00 0.00 0.00 175.76 175.22 1led s HIS 175 N -0.86 1.75 -0.09 0.00 3.76 0.53 -1.66 115.29 118.72 1led s HIS 175 Ca 0.14 -0.85 0.04 0.00 -0.15 0.00 0.00 55.06 54.23 1led s HIS 175 Cb -0.11 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.26 1led s HIS 175 CO 0.04 -0.49 -0.21 0.42 -0.85 0.00 0.00 174.74 173.65 1led s ILE 176 N 1.28 1.83 0.09 0.60 1.01 -0.22 -0.45 121.20 125.33 1led s ILE 176 Ca -0.02 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.81 1led s ILE 176 Cb -0.14 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1led s ILE 176 CO -0.05 0.51 -0.16 0.42 0.00 0.00 0.00 174.94 175.66 1led s THR 177 N 0.42 1.30 -0.05 2.92 -4.23 -0.01 -1.38 115.64 114.60 1led s THR 177 Ca -0.18 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1led s THR 177 Cb -0.17 -1.27 0.02 0.00 1.34 0.00 0.00 72.50 72.42 1led s THR 177 CO 0.08 -0.21 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.44 1led s TYR 178 N -1.38 0.78 -0.40 3.99 5.04 0.32 -1.37 117.35 124.33 1led s TYR 178 Ca 0.02 -0.23 -0.14 0.00 -2.44 0.00 0.00 57.07 54.28 1led s TYR 178 Cb -0.09 -0.73 0.02 0.00 0.35 0.00 0.00 41.96 41.51 1led s TYR 178 CO 0.03 -0.24 0.28 0.34 -1.34 0.00 0.00 175.55 174.62 1led s ASP 179 N 1.19 6.03 0.50 4.32 -1.08 -0.26 -1.21 116.67 126.16 1led s ASP 179 Ca -0.07 -0.89 0.32 0.00 -0.52 0.00 0.00 52.55 51.39 1led s ASP 179 Cb -0.14 -2.13 1.28 0.00 -1.46 0.00 0.00 42.92 40.47 1led s ASP 179 CO -0.01 -0.42 1.93 0.00 0.52 0.00 0.00 175.17 177.19 1led h ALA 180 N 8.58 1.00 0.00 3.66 0.00 -1.88 -0.28 119.26 130.35 1led h ALA 180 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1led h ALA 180 Cb 1.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1led h ALA 180 CO 0.71 0.00 -0.09 0.00 0.00 0.00 0.00 179.25 179.87 1led h ARG 181 N 0.00 0.00 -0.12 0.00 -0.00 -1.92 -3.35 114.38 108.99 1led h ARG 181 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1led h ARG 181 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.47 1led h ARG 181 CO 0.00 0.71 0.00 -1.13 0.00 0.00 0.00 179.97 179.55 1led n SER 182 N -4.64 1.55 -3.71 7.04 3.41 -1.21 -4.94 113.62 111.11 1led n SER 182 Ca -0.09 -1.63 -0.23 0.00 -0.26 0.00 0.00 58.87 56.66 1led n SER 182 Cb 0.36 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.28 1led n SER 182 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1led n LYS 183 N 0.23 -5.71 -4.82 4.33 4.76 -0.14 -4.90 118.16 111.91 1led n LYS 183 Ca 0.17 0.67 -0.33 0.00 -2.87 0.00 0.00 58.31 55.96 1led n LYS 183 Cb 0.33 -5.45 -0.15 0.00 -1.84 0.00 0.00 35.03 27.91 1led n LYS 183 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1led s ILE 184 N -3.48 2.70 -0.18 -0.18 1.01 -1.05 -0.16 121.20 119.86 1led s ILE 184 Ca 0.25 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 1led s ILE 184 Cb -0.12 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 1led s ILE 184 CO 0.80 0.53 -0.00 -0.22 0.00 0.00 0.00 174.94 176.04 1led s LEU 185 N 0.47 3.36 -0.02 2.97 2.96 -0.46 -1.11 118.68 126.84 1led s LEU 185 Ca -0.11 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 1led s LEU 185 Cb -0.16 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 1led s LEU 185 CO 0.05 0.12 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.15 1led s THR 186 N 0.67 1.29 -0.09 3.68 2.01 -0.47 -0.39 115.64 122.34 1led s THR 186 Ca -0.00 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1led s THR 186 Cb -0.14 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.28 1led s THR 186 CO 0.02 0.37 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.41 1led s VAL 187 N -0.18 1.93 -0.11 3.82 1.01 0.78 -0.83 120.40 126.81 1led s VAL 187 Ca 0.02 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1led s VAL 187 Cb -0.08 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1led s VAL 187 CO 0.00 0.53 -0.14 -0.22 0.00 0.00 0.00 175.10 175.27 1led s LEU 188 N 0.34 1.66 -0.13 3.92 2.96 0.40 -1.49 118.68 126.34 1led s LEU 188 Ca -0.17 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1led s LEU 188 Cb -0.17 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.46 1led s LEU 188 CO 0.08 -0.01 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.67 1led s LEU 189 N 1.13 2.03 -0.01 -0.68 2.96 -0.34 -0.34 118.68 123.44 1led s LEU 189 Ca -0.04 -0.56 0.06 0.00 -0.22 0.00 0.00 54.13 53.37 1led s LEU 189 Cb -0.14 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 1led s LEU 189 CO -0.04 0.08 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.44 1led s SER 190 N 0.75 2.29 -0.10 3.68 0.01 -0.13 -0.34 113.70 119.86 1led s SER 190 Ca -0.09 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 56.82 1led s SER 190 Cb -0.16 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.82 1led s SER 190 CO 0.00 0.23 -0.19 -0.31 0.41 0.00 0.00 173.24 173.38 1led s TYR 191 N -0.50 2.64 0.21 2.43 1.51 -1.02 -1.62 117.35 121.01 1led s TYR 191 Ca 0.07 -0.73 -0.15 0.00 -1.01 0.00 0.00 57.07 55.25 1led s TYR 191 Cb -0.08 -1.73 0.22 0.00 -0.11 0.00 0.00 41.96 40.27 1led s TYR 191 CO -0.00 -0.23 1.60 1.49 -1.11 0.00 0.00 175.55 177.30 1led h GLU 192 N 6.42 -0.06 -0.49 -0.62 4.81 -1.90 -0.99 114.58 121.76 1led h GLU 192 Ca -0.27 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.63 1led h GLU 192 Cb 1.21 0.01 -0.23 0.00 0.63 0.00 0.00 28.75 30.37 1led h GLU 192 CO 0.51 -0.04 -0.39 0.72 -0.73 0.00 0.00 179.01 179.08 1led n HIS 193 N -5.46 1.70 -0.96 0.92 8.25 -1.26 -4.98 115.22 113.44 1led n HIS 193 Ca 0.07 -1.97 0.00 0.00 -0.26 0.00 0.00 57.72 55.57 1led n HIS 193 Cb 0.36 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.00 1led n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1led n GLY 194 N -0.94 5.28 4.00 -1.41 0.00 -0.37 -5.16 105.19 106.59 1led n GLY 194 Ca 0.37 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 1led n GLY 194 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1led s ARG 195 N 3.57 2.59 0.23 1.61 1.70 -1.26 -4.74 118.95 122.65 1led s ARG 195 Ca 0.00 -1.45 0.10 0.00 -0.47 0.00 0.00 55.73 53.91 1led s ARG 195 Cb 0.00 -2.65 -0.04 0.00 -0.57 0.00 0.00 34.95 31.69 1led s ARG 195 CO 0.00 -0.48 -0.07 -0.51 -1.08 0.00 0.00 175.30 173.15 1led s ASP 196 N -4.43 4.26 -0.04 -2.89 1.01 -1.26 -2.42 116.67 110.90 1led s ASP 196 Ca 0.56 -0.68 0.02 0.00 0.71 0.00 0.00 52.55 53.16 1led s ASP 196 Cb -0.07 -0.70 0.01 0.00 1.01 0.00 0.00 42.92 43.16 1led s ASP 196 CO 0.34 0.05 -0.10 -0.31 0.21 0.00 0.00 175.17 175.36 1led s TYR 197 N -2.08 1.14 -0.08 4.23 2.02 0.54 -4.97 117.35 118.15 1led s TYR 197 Ca 0.28 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.67 1led s TYR 197 Cb -0.07 -0.83 0.01 0.00 -0.40 0.00 0.00 41.96 40.67 1led s TYR 197 CO 0.17 -0.17 -0.16 0.42 -1.57 0.00 0.00 175.55 174.25 1led s ILE 198 N 0.40 1.42 -0.14 2.71 1.09 -1.26 -1.19 121.20 124.23 1led s ILE 198 Ca -0.07 -0.64 -0.06 0.00 -1.10 0.00 0.00 60.65 58.78 1led s ILE 198 Cb -0.12 -1.27 0.07 0.00 -1.06 0.00 0.00 42.46 40.07 1led s ILE 198 CO 0.01 0.42 0.30 -0.22 -0.10 0.00 0.00 174.94 175.35 1led s LEU 199 N 0.65 -0.22 0.06 2.97 2.96 -0.56 -4.94 118.68 119.59 1led s LEU 199 Ca -0.14 0.68 0.04 0.00 -0.22 0.00 0.00 54.13 54.49 1led s LEU 199 Cb -0.16 0.88 -0.03 0.00 0.50 0.00 0.00 46.19 47.38 1led s LEU 199 CO 0.04 -0.22 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.29 1led s SER 200 N 2.17 1.40 -0.12 3.68 0.01 -1.26 -0.16 113.70 119.42 1led s SER 200 Ca -0.02 -0.55 -0.22 0.00 1.31 0.00 0.00 55.95 56.46 1led s SER 200 Cb -0.11 -0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.14 1led s SER 200 CO -0.10 -0.09 0.54 -2.28 0.41 0.00 0.00 173.24 171.73 1led s HIS 201 N -1.20 -0.54 -0.03 2.43 2.46 0.48 -4.99 115.29 113.90 1led s HIS 201 Ca -0.04 1.12 -0.30 0.00 0.47 0.00 0.00 55.06 56.32 1led s HIS 201 Cb -0.09 0.25 -0.04 0.00 -0.13 0.00 0.00 32.58 32.57 1led s HIS 201 CO 0.01 -0.41 1.16 0.08 -2.47 0.00 0.00 174.74 173.11 1led s VAL 202 N -0.52 4.32 -0.23 0.89 1.01 -1.26 -1.36 120.40 123.25 1led s VAL 202 Ca -0.06 1.65 -0.09 0.00 0.00 0.00 0.00 61.98 63.47 1led s VAL 202 Cb -0.03 -4.06 0.10 0.00 0.00 0.00 0.00 36.38 32.39 1led s VAL 202 CO 0.04 0.04 0.51 0.54 0.00 0.00 0.00 175.10 176.24 1led s VAL 203 N 1.78 -0.64 -0.59 2.92 0.11 0.77 -4.94 120.40 119.82 1led s VAL 203 Ca 0.55 0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 59.49 1led s VAL 203 Cb -0.25 -0.79 0.07 0.00 -1.53 0.00 0.00 36.38 33.88 1led s VAL 203 CO 0.24 0.04 0.82 -0.62 -3.33 0.00 0.00 175.10 172.25 1led s ASP 204 N 2.49 6.22 0.30 3.54 -1.08 -1.26 -4.35 116.67 122.53 1led s ASP 204 Ca -0.05 -0.95 0.01 0.00 -0.52 0.00 0.00 52.55 51.04 1led s ASP 204 Cb -0.11 -2.36 0.53 0.00 -1.46 0.00 0.00 42.92 39.51 1led s ASP 204 CO -0.15 -1.20 1.90 -0.07 0.52 0.00 0.00 175.17 176.17 1led h LEU 205 N 10.58 0.92 -1.41 -1.34 4.07 -1.97 -1.52 115.31 124.64 1led h LEU 205 Ca -0.28 0.01 0.10 0.00 0.08 0.00 0.00 57.88 57.79 1led h LEU 205 Cb 1.08 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 42.59 1led h LEU 205 CO 1.09 0.58 0.50 0.00 -1.08 0.00 0.00 178.44 179.53 1led h ALA 206 N 1.51 1.83 0.00 1.53 0.00 -1.91 0.88 119.26 123.10 1led h ALA 206 Ca 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1led h ALA 206 Cb 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1led h ALA 206 CO -0.16 0.00 -0.12 0.87 0.00 0.00 0.00 179.25 179.84 1led h LYS 207 N 0.65 0.00 0.00 0.00 1.57 -1.70 -3.38 116.57 113.72 1led h LYS 207 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1led h LYS 207 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1led h LYS 207 CO -0.13 0.08 -0.75 1.33 -0.57 0.00 0.00 179.45 179.40 1led n VAL 208 N -3.10 0.00 -4.36 0.50 0.24 -0.61 -5.05 118.33 105.95 1led n VAL 208 Ca 0.03 -0.26 -0.24 0.00 -2.04 0.00 0.00 64.34 61.84 1led n VAL 208 Cb 0.56 0.70 -0.11 0.00 -1.47 0.00 0.00 33.84 33.52 1led n VAL 208 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1led s LEU 209 N -2.83 2.42 1.08 1.34 1.43 0.20 -4.63 118.68 117.71 1led s LEU 209 Ca 0.00 -0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 52.13 1led s LEU 209 Cb 0.04 -0.94 0.24 0.00 0.03 0.00 0.00 46.19 45.57 1led s LEU 209 CO 0.26 0.02 1.06 -2.16 0.23 0.00 0.00 176.35 175.76 1led s PRO 210 N -2.67 -0.29 0.53 1.29 0.04 -1.26 -4.66 135.00 127.99 1led s PRO 210 Ca 0.16 0.81 0.21 0.00 0.04 0.00 0.00 61.00 62.22 1led s PRO 210 Cb -0.07 -1.63 1.35 0.00 0.04 0.00 0.00 34.50 34.20 1led s PRO 210 CO 0.07 -3.29 2.09 1.96 0.04 0.00 0.00 177.00 177.87 1led h GLN 211 N -2.31 0.00 -5.09 4.56 4.20 -1.94 -3.41 115.11 111.12 1led h GLN 211 Ca -0.58 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 57.60 1led h GLN 211 Cb 1.32 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.79 1led h GLN 211 CO 0.52 0.00 -0.83 0.15 -0.67 0.00 0.00 178.83 178.00 1led s LYS 212 N -5.02 1.66 0.33 1.46 1.02 -1.26 -0.66 119.74 117.27 1led s LYS 212 Ca -0.05 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.43 1led s LYS 212 Cb 0.18 -1.44 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 1led s LYS 212 CO 0.69 0.19 0.08 0.14 -0.92 0.00 0.00 175.35 175.53 1led s VAL 213 N 0.15 0.93 0.01 3.17 -7.23 0.16 -4.29 120.40 113.30 1led s VAL 213 Ca -0.05 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.14 1led s VAL 213 Cb -0.12 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 1led s VAL 213 CO 0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.77 1led s ARG 214 N -3.87 2.63 0.08 4.82 1.70 0.53 -0.61 118.95 124.23 1led s ARG 214 Ca 0.34 -0.69 0.09 0.00 -0.47 0.00 0.00 55.73 54.99 1led s ARG 214 Cb 0.07 -2.56 -0.04 0.00 -0.57 0.00 0.00 34.95 31.85 1led s ARG 214 CO 0.15 0.61 -0.22 0.96 -1.08 0.00 0.00 175.30 175.71 1led s ILE 215 N -1.05 2.50 -1.65 4.99 -4.36 -1.26 -1.81 121.20 118.56 1led s ILE 215 Ca 0.18 -1.46 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 1led s ILE 215 Cb -0.11 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.53 1led s ILE 215 CO 0.09 0.23 0.00 0.61 0.24 0.00 0.00 174.94 176.11 1led n GLY 216 N 1.27 -0.83 3.44 6.27 0.00 -0.84 -0.58 105.19 113.92 1led n GLY 216 Ca -0.17 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 1led n GLY 216 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1led s PHE 217 N -3.00 2.61 -0.01 1.61 0.08 0.69 -0.52 117.98 119.45 1led s PHE 217 Ca 0.00 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.85 1led s PHE 217 Cb 0.00 -1.60 -0.00 0.00 -0.57 0.00 0.00 43.02 40.85 1led s PHE 217 CO 0.00 0.13 -0.07 0.45 -0.10 0.00 0.00 175.22 175.64 1led s SER 218 N -0.70 0.81 0.07 1.36 0.15 0.43 -1.34 113.70 114.49 1led s SER 218 Ca 0.11 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.65 1led s SER 218 Cb -0.10 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 1led s SER 218 CO 0.00 0.07 -0.06 0.00 1.20 0.00 0.00 173.24 174.46 1led s ALA 219 N -0.07 0.72 -0.05 5.45 0.00 -0.39 -0.52 121.76 126.90 1led s ALA 219 Ca 0.01 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 1led s ALA 219 Cb -0.04 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.26 1led s ALA 219 CO -0.00 -0.21 0.11 0.20 0.00 0.00 0.00 175.76 175.86 1led s GLY 220 N -2.55 -0.04 0.13 0.00 0.00 -1.21 -2.11 107.32 101.55 1led s GLY 220 Ca 0.03 0.44 0.05 0.00 0.00 0.00 0.00 44.72 45.25 1led s GLY 220 CO -0.04 0.59 -0.12 -1.34 0.00 0.00 0.00 173.10 172.19 1led s VAL 221 N 0.62 1.22 0.00 1.40 -7.23 0.08 -2.16 120.40 114.33 1led s VAL 221 Ca -0.05 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 1led s VAL 221 Cb -0.06 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.21 1led s VAL 221 CO -0.03 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 174.78 1led n GLY 222 N 0.16 -1.30 3.44 2.32 0.00 -1.26 -1.61 105.19 106.94 1led n GLY 222 Ca -0.13 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 1led n GLY 222 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1led s TYR 223 N 0.00 -0.54 -1.20 1.61 1.13 -0.53 -2.60 117.35 115.22 1led s TYR 223 Ca 0.00 0.44 -0.06 0.00 -1.41 0.00 0.00 57.07 56.04 1led s TYR 223 Cb 0.00 0.53 0.05 0.00 -1.10 0.00 0.00 41.96 41.44 1led s TYR 223 CO 0.00 -0.78 0.35 -0.25 -2.51 0.00 0.00 175.55 172.35 1led n ASP 224 N -0.16 -3.82 -3.65 -0.18 8.00 -1.26 -2.25 116.55 113.22 1led n ASP 224 Ca -0.17 -0.19 -0.15 0.00 0.71 0.00 0.00 54.79 54.99 1led n ASP 224 Cb 0.63 -3.18 -0.08 0.00 -0.02 0.00 0.00 41.12 38.47 1led n ASP 224 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1led s GLU 225 N -5.69 0.80 -0.19 -1.24 2.12 -1.26 -0.77 118.70 112.46 1led s GLU 225 Ca 0.27 0.22 -0.16 0.00 0.36 0.00 0.00 54.97 55.65 1led s GLU 225 Cb -0.14 0.37 0.05 0.00 0.26 0.00 0.00 34.13 34.67 1led s GLU 225 CO 0.33 -0.21 0.50 0.54 -0.54 0.00 0.00 175.26 175.89 1led s VAL 226 N -0.86 -0.00 -0.14 3.70 0.11 -0.65 -4.74 120.40 117.81 1led s VAL 226 Ca -0.09 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 1led s VAL 226 Cb -0.03 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1led s VAL 226 CO 0.05 0.00 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.91 1led s THR 227 N 0.46 3.97 -0.15 5.04 2.01 -1.26 -0.52 115.64 125.19 1led s THR 227 Ca -0.02 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 1led s THR 227 Cb -0.04 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 1led s THR 227 CO -0.02 0.51 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.99 1led s TYR 228 N 0.12 2.82 -0.21 4.92 2.02 -0.02 -1.53 117.35 125.48 1led s TYR 228 Ca -0.01 -0.86 -0.17 0.00 -0.37 0.00 0.00 57.07 55.67 1led s TYR 228 Cb -0.13 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 1led s TYR 228 CO 0.03 -0.37 0.45 0.42 -1.57 0.00 0.00 175.55 174.51 1led s ILE 229 N 0.71 5.15 -0.10 2.71 -1.09 -0.02 -1.21 121.20 127.35 1led s ILE 229 Ca -0.06 0.81 0.22 0.00 -2.23 0.00 0.00 60.65 59.39 1led s ILE 229 Cb -0.15 -3.78 -0.24 0.00 -1.58 0.00 0.00 42.46 36.71 1led s ILE 229 CO 0.02 0.21 0.61 0.18 -1.23 0.00 0.00 174.94 174.73 1led n LEU 230 N 4.70 0.25 -3.46 2.97 4.77 0.22 -1.87 117.00 124.58 1led n LEU 230 Ca -0.07 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1led n LEU 230 Cb 0.51 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1led n LEU 230 CO 0.41 -0.01 0.47 -0.94 -1.33 0.00 0.00 177.39 175.98 1led s SER 231 N -4.84 -0.55 -0.25 -1.43 1.04 -1.23 -3.29 113.70 103.15 1led s SER 231 Ca -0.06 0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.41 1led s SER 231 Cb 0.12 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.86 1led s SER 231 CO 0.87 -0.80 0.62 0.86 0.98 0.00 0.00 173.24 175.77 1led s TRP 232 N -2.93 -0.93 -0.02 5.02 -0.00 -0.35 -2.90 118.94 116.83 1led s TRP 232 Ca -0.01 1.91 0.03 0.00 -0.00 0.00 0.00 56.10 58.03 1led s TRP 232 Cb -0.01 0.52 -0.00 0.00 -0.00 0.00 0.00 33.47 33.98 1led s TRP 232 CO -0.06 -0.47 -0.10 -1.58 -0.00 0.00 0.00 176.95 174.73 1led s HIS 233 N 1.47 1.01 -0.02 5.86 5.65 -0.20 0.09 115.29 129.15 1led s HIS 233 Ca -0.09 -0.22 0.01 0.00 0.25 0.00 0.00 55.06 55.00 1led s HIS 233 Cb -0.06 -0.68 0.01 0.00 -1.18 0.00 0.00 32.58 30.68 1led s HIS 233 CO -0.17 -0.06 -0.01 0.12 -0.65 0.00 0.00 174.74 173.98 1led s PHE 234 N -0.05 0.26 -0.02 3.88 5.36 -0.30 -0.77 117.98 126.33 1led s PHE 234 Ca 0.01 -0.01 -0.00 0.00 -0.96 0.00 0.00 56.93 55.96 1led s PHE 234 Cb -0.06 -0.28 0.03 0.00 -0.34 0.00 0.00 43.02 42.36 1led s PHE 234 CO 0.00 -0.07 0.03 0.12 -1.46 0.00 0.00 175.22 173.84 1led s PHE 235 N 0.55 0.06 0.10 10.12 2.19 0.29 -1.10 117.98 130.19 1led s PHE 235 Ca -0.05 0.15 0.08 0.00 0.33 0.00 0.00 56.93 57.44 1led s PHE 235 Cb -0.08 -0.30 -0.04 0.00 -1.31 0.00 0.00 43.02 41.29 1led s PHE 235 CO -0.01 -0.11 -0.21 -1.54 1.83 0.00 0.00 175.22 175.18 1led s SER 236 N 1.30 2.53 0.02 6.13 1.04 0.06 -0.74 113.70 124.04 1led s SER 236 Ca -0.06 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 55.69 1led s SER 236 Cb -0.13 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.84 1led s SER 236 CO -0.03 0.05 -0.05 0.28 0.98 0.00 0.00 173.24 174.47 1led s THR 237 N -1.19 0.35 -2.62 2.02 -1.32 0.01 -4.29 115.64 108.60 1led s THR 237 Ca 0.07 -0.58 0.27 0.00 -1.21 0.00 0.00 61.69 60.24 1led s THR 237 Cb -0.10 -0.38 0.43 0.00 -1.51 0.00 0.00 72.50 70.94 1led s THR 237 CO 0.04 -0.15 1.59 0.18 -2.21 0.00 0.00 174.62 174.06 1led n LEU 238 N 2.28 1.94 -3.51 9.08 4.32 -1.26 -0.42 117.00 129.43 1led n LEU 238 Ca -0.18 -0.64 -0.48 0.00 -0.02 0.00 0.00 56.01 54.69 1led n LEU 238 Cb 0.57 -0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.30 1led n LEU 238 CO 0.23 0.32 0.60 0.47 -1.22 0.00 0.00 177.39 177.80 1led n ASP 239 N 0.49 0.34 0.00 -1.43 8.00 -1.24 -1.59 116.55 121.13 1led n ASP 239 Ca 0.17 0.89 0.00 0.00 0.71 0.00 0.00 54.79 56.57 1led n ASP 239 Cb 0.43 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1led n ASP 239 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1led n GLY 240 N 1.86 1.27 2.52 0.44 0.00 -1.09 -4.90 105.19 105.29 1led n GLY 240 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1led n GLY 240 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1led n THR 241 N -2.00 2.87 -0.35 2.61 -2.24 -0.62 -4.82 114.28 109.73 1led n THR 241 Ca 0.00 -4.46 0.00 0.00 -2.27 0.00 0.00 64.05 57.32 1led n THR 241 Cb 0.00 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 1led n THR 241 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1led n ASN 242 N -0.57 0.00 0.00 3.42 3.02 -1.26 -3.71 115.26 116.16 1led n ASN 242 Ca 0.46 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1led n ASN 242 Cb 0.58 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1led n ASN 242 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81