#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg5 n PHE 2 N 0.00 2.85 -4.02 1.43 7.35 -1.26 -5.02 117.46 118.79 1mg5 n PHE 2 Ca 0.00 0.38 -0.10 0.00 -0.76 0.00 0.00 57.45 56.97 1mg5 n PHE 2 Cb 0.00 -2.55 -0.11 0.00 0.35 0.00 0.00 39.48 37.17 1mg5 n PHE 2 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1mg5 s THR 3 N -0.65 0.25 -0.94 -2.13 -4.23 -1.26 -4.96 115.64 101.72 1mg5 s THR 3 Ca 0.58 -1.05 0.27 0.00 -1.18 0.00 0.00 61.69 60.31 1mg5 s THR 3 Cb -0.50 -0.49 0.15 0.00 1.34 0.00 0.00 72.50 73.01 1mg5 s THR 3 CO 0.57 -0.52 1.69 0.18 -0.54 0.00 0.00 174.62 176.01 1mg5 n LEU 4 N 1.40 0.31 -4.70 4.79 4.77 -1.26 -4.80 117.00 117.51 1mg5 n LEU 4 Ca -0.23 0.32 -0.44 0.00 -0.03 0.00 0.00 56.01 55.64 1mg5 n LEU 4 Cb 0.56 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1mg5 n LEU 4 CO 0.21 0.02 1.27 0.41 -1.33 0.00 0.00 177.39 177.97 1mg5 n THR 5 N -1.63 0.14 -1.94 -5.08 -1.04 -1.26 -1.92 114.28 101.54 1mg5 n THR 5 Ca 0.06 -0.03 -0.19 0.00 -2.04 0.00 0.00 64.05 61.84 1mg5 n THR 5 Cb 0.36 -1.77 -0.05 0.00 -1.82 0.00 0.00 70.33 67.05 1mg5 n THR 5 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1mg5 n ASN 6 N 3.49 -5.41 -4.96 8.00 4.05 0.12 -4.89 115.26 115.65 1mg5 n ASN 6 Ca 0.16 0.24 -0.22 0.00 0.45 0.00 0.00 54.58 55.21 1mg5 n ASN 6 Cb 0.32 -4.53 -0.01 0.00 1.23 0.00 0.00 39.78 36.79 1mg5 n ASN 6 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1mg5 s LYS 7 N -4.26 3.39 -0.23 1.20 -0.14 -0.81 -4.28 119.74 114.61 1mg5 s LYS 7 Ca 0.00 -0.61 -0.05 0.00 -1.36 0.00 0.00 55.97 53.95 1mg5 s LYS 7 Cb 0.00 -2.77 -0.02 0.00 -1.68 0.00 0.00 37.83 33.36 1mg5 s LYS 7 CO 0.00 0.22 0.00 -0.80 -0.76 0.00 0.00 175.35 174.02 1mg5 s ASN 8 N -4.04 4.67 -0.08 2.83 0.01 -1.26 -0.16 114.94 116.90 1mg5 s ASN 8 Ca 0.39 -0.30 0.05 0.00 -0.71 0.00 0.00 52.86 52.28 1mg5 s ASN 8 Cb -0.09 -1.82 -0.00 0.00 0.41 0.00 0.00 41.25 39.75 1mg5 s ASN 8 CO 0.33 -0.01 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.98 1mg5 s VAL 9 N 1.46 1.98 -0.23 1.60 1.01 0.16 -0.53 120.40 125.85 1mg5 s VAL 9 Ca 0.05 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1mg5 s VAL 9 Cb -0.15 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1mg5 s VAL 9 CO -0.00 0.55 0.13 -0.63 0.00 0.00 0.00 175.10 175.15 1mg5 s ILE 10 N 0.20 5.17 -0.34 2.22 1.01 -0.27 -0.49 121.20 128.69 1mg5 s ILE 10 Ca -0.14 0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.66 1mg5 s ILE 10 Cb -0.16 -3.39 0.10 0.00 0.01 0.00 0.00 42.46 39.01 1mg5 s ILE 10 CO 0.07 0.37 0.06 0.12 0.00 0.00 0.00 174.94 175.56 1mg5 s PHE 11 N 0.91 3.62 -0.05 3.97 2.19 0.77 -0.35 117.98 129.04 1mg5 s PHE 11 Ca 0.07 -2.93 -0.30 0.00 0.33 0.00 0.00 56.93 54.10 1mg5 s PHE 11 Cb -0.13 -2.84 -0.04 0.00 -1.31 0.00 0.00 43.02 38.70 1mg5 s PHE 11 CO 0.03 -0.94 1.27 0.08 1.83 0.00 0.00 175.22 177.49 1mg5 s VAL 12 N 0.92 4.09 -0.36 3.12 1.01 -0.05 -1.44 120.40 127.68 1mg5 s VAL 12 Ca 0.11 1.42 -0.01 0.00 0.00 0.00 0.00 61.98 63.50 1mg5 s VAL 12 Cb -0.19 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1mg5 s VAL 12 CO -0.09 -0.01 0.31 0.00 0.00 0.00 0.00 175.10 175.31 1mg5 n ALA 13 N 5.39 -0.49 1.30 5.51 0.00 0.74 -0.71 120.51 132.26 1mg5 n ALA 13 Ca 0.12 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.68 1mg5 n ALA 13 Cb 0.45 -1.46 0.30 0.00 0.00 0.00 0.00 19.45 18.74 1mg5 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mg5 n GLY 14 N -0.99 0.09 0.09 0.00 0.00 -1.22 -3.89 105.19 99.27 1mg5 n GLY 14 Ca -0.04 -0.32 0.02 0.00 0.00 0.00 0.00 46.02 45.67 1mg5 n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mg5 n LEU 15 N 0.15 0.85 0.00 0.99 4.77 -1.26 -2.04 117.00 120.45 1mg5 n LEU 15 Ca 0.13 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1mg5 n LEU 15 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1mg5 n LEU 15 CO 0.10 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1mg5 n GLY 16 N 0.57 -2.21 0.46 -0.72 0.00 -1.25 -4.21 105.19 97.83 1mg5 n GLY 16 Ca 0.02 -1.47 -0.18 0.00 0.00 0.00 0.00 46.02 44.38 1mg5 n GLY 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mg5 h GLY 17 N -0.37 -1.15 1.24 -0.02 0.00 -1.96 0.20 103.07 101.01 1mg5 h GLY 17 Ca 0.00 0.49 -0.19 0.00 0.00 0.00 0.00 47.33 47.63 1mg5 h GLY 17 CO 0.00 -0.39 -0.61 -2.22 0.00 0.00 0.00 176.54 173.32 1mg5 h ILE 18 N -1.03 1.29 0.33 2.60 2.04 -1.93 -3.25 117.51 117.56 1mg5 h ILE 18 Ca -0.08 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 63.97 1mg5 h ILE 18 Cb 0.85 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 1mg5 h ILE 18 CO 0.05 0.58 -0.38 1.23 0.00 0.00 0.00 178.15 179.63 1mg5 h GLY 19 N 0.75 -0.87 1.01 5.37 0.00 -1.70 0.03 103.07 107.66 1mg5 h GLY 19 Ca -0.00 0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.77 1mg5 h GLY 19 CO 0.13 -0.30 0.53 -2.00 0.00 0.00 0.00 176.54 174.89 1mg5 h LEU 20 N -0.75 0.91 -0.87 3.11 5.85 0.01 0.14 115.31 123.71 1mg5 h LEU 20 Ca -0.02 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1mg5 h LEU 20 Cb 0.69 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1mg5 h LEU 20 CO -0.09 0.66 0.18 0.44 -0.34 0.00 0.00 178.44 179.29 1mg5 h ASP 21 N 1.08 0.95 -0.22 1.25 3.32 -1.55 -0.76 116.42 120.49 1mg5 h ASP 21 Ca 0.29 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1mg5 h ASP 21 Cb -0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 1mg5 h ASP 21 CO -0.06 0.90 -0.13 0.74 -1.72 0.00 0.00 179.24 178.97 1mg5 h THR 22 N 0.97 1.25 -0.60 0.35 2.02 -0.53 -0.65 112.91 115.72 1mg5 h THR 22 Ca 0.21 -1.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1mg5 h THR 22 Cb 0.31 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1mg5 h THR 22 CO -0.00 0.37 0.21 0.28 0.37 0.00 0.00 175.52 176.75 1mg5 h SER 23 N 0.57 0.84 -0.63 4.18 0.02 -0.19 0.15 113.55 118.49 1mg5 h SER 23 Ca 0.10 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 1mg5 h SER 23 Cb 0.56 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1mg5 h SER 23 CO 0.04 0.80 0.19 0.11 -1.14 0.00 0.00 176.83 176.83 1mg5 h LYS 24 N 0.84 0.98 -0.58 3.45 1.57 -0.91 -1.83 116.57 120.08 1mg5 h LYS 24 Ca 0.20 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1mg5 h LYS 24 Cb 0.24 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1mg5 h LYS 24 CO -0.01 0.87 -0.04 1.49 -0.57 0.00 0.00 179.45 181.19 1mg5 h GLU 25 N 0.90 1.05 -0.56 3.15 4.57 -0.67 -2.64 114.58 120.38 1mg5 h GLU 25 Ca 0.20 -0.35 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 1mg5 h GLU 25 Cb 0.30 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 1mg5 h GLU 25 CO -0.00 1.04 0.27 -0.07 -1.18 0.00 0.00 179.01 179.07 1mg5 h LEU 26 N 0.95 0.70 0.00 1.64 3.38 -0.41 -2.24 115.31 119.33 1mg5 h LEU 26 Ca 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1mg5 h LEU 26 Cb 0.60 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1mg5 h LEU 26 CO 0.04 0.59 0.00 0.18 0.09 0.00 0.00 178.44 179.34 1mg5 n LEU 27 N -4.37 0.00 0.24 1.67 4.77 -0.72 -1.35 117.00 117.24 1mg5 n LEU 27 Ca 0.05 0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.20 1mg5 n LEU 27 Cb 0.12 -0.05 0.41 0.00 -2.33 0.00 0.00 43.42 41.58 1mg5 n LEU 27 CO 0.37 -0.02 0.85 0.11 -1.33 0.00 0.00 177.39 177.38 1mg5 h LYS 28 N 0.00 0.00 -6.42 3.23 1.57 -1.39 -3.41 116.57 110.15 1mg5 h LYS 28 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1mg5 h LYS 28 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1mg5 h LYS 28 CO 0.00 0.08 -0.21 1.03 -0.57 0.00 0.00 179.45 179.78 1mg5 s ARG 29 N -3.45 3.55 -1.37 3.15 3.00 -0.45 -5.01 118.95 118.37 1mg5 s ARG 29 Ca 0.03 -0.21 -0.08 0.00 0.00 0.00 0.00 55.73 55.47 1mg5 s ARG 29 Cb 0.08 -2.71 0.10 0.00 0.00 0.00 0.00 34.95 32.42 1mg5 s ARG 29 CO 0.62 0.24 2.26 -0.25 0.00 0.00 0.00 175.30 178.18 1mg5 n ASP 30 N -1.15 6.61 -4.69 0.23 10.43 -1.26 -4.95 116.55 121.77 1mg5 n ASP 30 Ca -0.04 -3.02 -0.31 0.00 2.57 0.00 0.00 54.79 54.00 1mg5 n ASP 30 Cb 0.55 -1.46 0.16 0.00 1.84 0.00 0.00 41.12 42.20 1mg5 n ASP 30 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1mg5 s LEU 31 N -0.61 2.85 -0.16 0.64 1.43 -1.26 -0.71 118.68 120.86 1mg5 s LEU 31 Ca 0.50 2.13 -0.24 0.00 -1.03 0.00 0.00 54.13 55.49 1mg5 s LEU 31 Cb 0.15 -4.54 -0.21 0.00 0.03 0.00 0.00 46.19 41.61 1mg5 s LEU 31 CO -0.05 -2.97 0.50 0.50 0.23 0.00 0.00 176.35 174.56 1mg5 h LYS 32 N -1.78 0.00 -3.69 1.70 3.64 -0.73 -3.37 116.57 112.34 1mg5 h LYS 32 Ca -0.43 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.73 1mg5 h LYS 32 Cb 1.26 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.82 1mg5 h LYS 32 CO 0.43 0.89 -0.68 -0.80 -2.27 0.00 0.00 179.45 177.02 1mg5 s ASN 33 N -6.35 0.00 -0.19 4.20 0.01 -0.88 -1.84 114.94 109.89 1mg5 s ASN 33 Ca -0.21 -0.02 0.01 0.00 -0.71 0.00 0.00 52.86 51.94 1mg5 s ASN 33 Cb 0.00 0.07 0.04 0.00 0.41 0.00 0.00 41.25 41.77 1mg5 s ASN 33 CO 0.59 -0.06 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.78 1mg5 s LEU 34 N -0.21 2.22 -0.30 0.60 2.96 -0.23 -0.67 118.68 123.05 1mg5 s LEU 34 Ca -0.02 -0.82 -0.06 0.00 -0.22 0.00 0.00 54.13 53.00 1mg5 s LEU 34 Cb -0.02 -1.26 0.02 0.00 0.50 0.00 0.00 46.19 45.43 1mg5 s LEU 34 CO -0.00 -0.12 0.07 -0.69 -1.32 0.00 0.00 176.35 174.29 1mg5 s VAL 35 N 1.39 3.76 -0.25 1.68 1.01 0.36 -1.63 120.40 126.71 1mg5 s VAL 35 Ca 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1mg5 s VAL 35 Cb -0.15 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1mg5 s VAL 35 CO -0.09 0.01 0.23 -0.63 0.00 0.00 0.00 175.10 174.62 1mg5 s ILE 36 N 1.44 5.30 -0.19 2.22 1.01 0.36 -0.16 121.20 131.18 1mg5 s ILE 36 Ca 0.01 0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.94 1mg5 s ILE 36 Cb -0.18 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 1mg5 s ILE 36 CO 0.02 0.29 -0.07 -0.76 0.00 0.00 0.00 174.94 174.41 1mg5 s LEU 37 N 1.39 2.83 0.15 2.97 1.43 -0.52 -0.70 118.68 126.23 1mg5 s LEU 37 Ca 0.10 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 52.60 1mg5 s LEU 37 Cb -0.15 -1.69 0.07 0.00 0.03 0.00 0.00 46.19 44.45 1mg5 s LEU 37 CO 0.07 0.05 0.66 -0.62 0.23 0.00 0.00 176.35 176.73 1mg5 s ASP 38 N 1.07 -0.50 0.04 2.29 -1.08 -1.02 -0.18 116.67 117.28 1mg5 s ASP 38 Ca 0.01 -0.07 0.23 0.00 -0.52 0.00 0.00 52.55 52.20 1mg5 s ASP 38 Cb -0.15 0.58 0.18 0.00 -1.46 0.00 0.00 42.92 42.07 1mg5 s ASP 38 CO -0.01 -0.96 1.15 -2.11 0.52 0.00 0.00 175.17 173.76 1mg5 n ARG 39 N -0.37 0.18 -2.40 4.34 1.85 -0.95 -0.96 116.66 118.35 1mg5 n ARG 39 Ca -0.14 0.01 -0.41 0.00 -1.00 0.00 0.00 57.85 56.31 1mg5 n ARG 39 Cb 0.64 -1.57 -0.04 0.00 -1.05 0.00 0.00 32.46 30.44 1mg5 n ARG 39 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1mg5 s ILE 40 N -3.12 3.40 -0.29 8.89 1.01 -1.26 -4.91 121.20 124.92 1mg5 s ILE 40 Ca 0.06 1.34 0.01 0.00 0.00 0.00 0.00 60.65 62.07 1mg5 s ILE 40 Cb 0.15 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.83 1mg5 s ILE 40 CO 0.77 0.29 -0.04 -0.70 0.00 0.00 0.00 174.94 175.26 1mg5 s GLU 41 N -1.16 2.21 -0.40 2.79 2.56 -1.26 -4.95 118.70 118.49 1mg5 s GLU 41 Ca 0.47 -1.40 0.02 0.00 0.00 0.00 0.00 54.97 54.06 1mg5 s GLU 41 Cb -0.33 -3.06 0.15 0.00 2.00 0.00 0.00 34.13 32.89 1mg5 s GLU 41 CO 0.42 -0.65 0.27 1.21 -0.56 0.00 0.00 175.26 175.95 1mg5 s ASN 42 N 1.17 2.52 0.41 -1.70 2.47 -1.26 -4.99 114.94 113.55 1mg5 s ASN 42 Ca -0.05 -2.64 0.08 0.00 0.42 0.00 0.00 52.86 50.67 1mg5 s ASN 42 Cb -0.20 -0.53 0.87 0.00 -1.45 0.00 0.00 41.25 39.94 1mg5 s ASN 42 CO -0.04 -0.24 2.03 1.55 -3.72 0.00 0.00 177.10 176.68 1mg5 h PRO 43 N 6.39 0.55 -0.82 0.43 0.13 -1.99 -1.26 132.00 135.43 1mg5 h PRO 43 Ca 0.14 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 1mg5 h PRO 43 Cb 0.93 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.90 1mg5 h PRO 43 CO 0.35 0.36 0.38 0.00 -0.23 0.00 0.00 178.00 178.86 1mg5 h ALA 44 N 1.71 1.06 -0.66 -0.56 0.00 -1.99 -0.45 119.26 118.37 1mg5 h ALA 44 Ca 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1mg5 h ALA 44 Cb 0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1mg5 h ALA 44 CO -0.05 0.65 0.11 0.00 0.00 0.00 0.00 179.25 179.95 1mg5 h ALA 45 N 1.20 0.88 -0.54 0.00 0.00 -1.68 -0.78 119.26 118.33 1mg5 h ALA 45 Ca 0.28 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1mg5 h ALA 45 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1mg5 h ALA 45 CO -0.03 0.64 0.17 0.82 0.00 0.00 0.00 179.25 180.85 1mg5 h ILE 46 N 1.01 1.23 -0.72 0.00 1.08 -0.87 0.51 117.51 119.75 1mg5 h ILE 46 Ca 0.20 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.85 1mg5 h ILE 46 Cb 0.44 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1mg5 h ILE 46 CO 0.01 0.29 0.35 0.00 -0.69 0.00 0.00 178.15 178.11 1mg5 h ALA 47 N 1.03 0.93 -0.56 1.87 0.00 -0.85 -1.17 119.26 120.52 1mg5 h ALA 47 Ca 0.17 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1mg5 h ALA 47 Cb 0.28 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1mg5 h ALA 47 CO -0.01 0.50 0.34 1.49 0.00 0.00 0.00 179.25 181.58 1mg5 h GLU 48 N 1.01 0.67 -0.68 0.00 4.81 -0.76 -2.34 114.58 117.29 1mg5 h GLU 48 Ca 0.25 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1mg5 h GLU 48 Cb 0.12 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1mg5 h GLU 48 CO -0.03 0.44 0.19 -0.07 -0.73 0.00 0.00 179.01 178.81 1mg5 h LEU 49 N 0.69 1.02 -1.82 1.64 3.38 -0.41 -2.45 115.31 117.36 1mg5 h LEU 49 Ca 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1mg5 h LEU 49 Cb -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1mg5 h LEU 49 CO -0.08 0.97 0.05 0.11 0.09 0.00 0.00 178.44 179.58 1mg5 h LYS 50 N 1.01 0.17 0.00 1.13 1.57 -0.86 -2.51 116.57 117.07 1mg5 h LYS 50 Ca 0.22 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1mg5 h LYS 50 Cb 0.34 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1mg5 h LYS 50 CO -0.00 0.14 -0.17 0.00 -0.57 0.00 0.00 179.45 178.84 1mg5 h ALA 51 N 1.89 0.89 0.02 3.86 0.00 -0.95 -3.37 119.26 121.60 1mg5 h ALA 51 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1mg5 h ALA 51 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1mg5 h ALA 51 CO -0.01 0.00 -0.01 0.82 0.00 0.00 0.00 179.25 180.05 1mg5 h ILE 52 N 0.00 1.10 -3.25 0.00 2.04 -1.22 -3.42 117.51 112.76 1mg5 h ILE 52 Ca 0.00 -0.37 -0.50 0.00 1.00 0.00 0.00 64.86 64.99 1mg5 h ILE 52 Cb 0.78 1.34 -0.40 0.00 -0.74 0.00 0.00 36.82 37.81 1mg5 h ILE 52 CO 0.00 0.09 -0.76 0.21 0.00 0.00 0.00 178.15 177.69 1mg5 s ASN 53 N -5.32 2.68 0.50 1.72 3.84 -1.26 -5.01 114.94 112.08 1mg5 s ASN 53 Ca -0.14 -0.70 0.33 0.00 0.21 0.00 0.00 52.86 52.56 1mg5 s ASN 53 Cb 0.04 -0.55 1.49 0.00 -0.55 0.00 0.00 41.25 41.69 1mg5 s ASN 53 CO 0.66 -0.29 1.98 1.55 -2.79 0.00 0.00 177.10 178.21 1mg5 h PRO 54 N 8.27 0.00 0.00 0.43 0.13 -1.82 -1.97 132.00 137.03 1mg5 h PRO 54 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1mg5 h PRO 54 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1mg5 h PRO 54 CO 0.32 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 178.96 1mg5 h LYS 55 N 0.00 0.00 -5.66 0.86 1.57 -1.94 -3.45 116.57 107.95 1mg5 h LYS 55 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 1mg5 h LYS 55 Cb 0.34 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 1mg5 h LYS 55 CO 0.00 0.00 -0.47 0.08 -0.57 0.00 0.00 179.45 178.49 1mg5 s VAL 56 N -3.27 5.49 -0.22 0.50 1.01 -0.74 -4.79 120.40 118.38 1mg5 s VAL 56 Ca 0.07 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.10 1mg5 s VAL 56 Cb 0.08 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1mg5 s VAL 56 CO 0.60 0.60 0.38 -0.89 0.00 0.00 0.00 175.10 175.79 1mg5 s THR 57 N -1.05 5.20 -0.20 3.92 2.01 -0.77 -4.92 115.64 119.84 1mg5 s THR 57 Ca 0.16 0.65 -0.04 0.00 0.31 0.00 0.00 61.69 62.77 1mg5 s THR 57 Cb -0.12 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1mg5 s THR 57 CO 0.05 0.23 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.48 1mg5 s VAL 58 N 1.48 3.53 -0.03 3.82 1.01 -1.26 -1.07 120.40 127.88 1mg5 s VAL 58 Ca 0.18 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.77 1mg5 s VAL 58 Cb -0.15 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1mg5 s VAL 58 CO 0.08 0.44 -0.25 -0.89 0.00 0.00 0.00 175.10 174.49 1mg5 s THR 59 N 1.15 1.96 -0.07 3.92 2.01 -0.65 -4.97 115.64 118.98 1mg5 s THR 59 Ca 0.02 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 60.99 1mg5 s THR 59 Cb -0.15 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1mg5 s THR 59 CO -0.00 0.55 -0.11 0.12 -0.69 0.00 0.00 174.62 174.49 1mg5 s PHE 60 N -0.45 2.82 -0.09 4.92 2.19 -1.26 -0.49 117.98 125.62 1mg5 s PHE 60 Ca 0.06 -0.13 -0.00 0.00 0.33 0.00 0.00 56.93 57.19 1mg5 s PHE 60 Cb -0.11 -1.69 0.02 0.00 -1.31 0.00 0.00 43.02 39.93 1mg5 s PHE 60 CO 0.00 0.21 -0.06 0.71 1.83 0.00 0.00 175.22 177.91 1mg5 s TYR 61 N -0.63 1.22 0.28 10.12 1.51 0.12 -4.96 117.35 125.02 1mg5 s TYR 61 Ca 0.09 -0.54 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 1mg5 s TYR 61 Cb -0.11 -1.06 -0.12 0.00 -0.11 0.00 0.00 41.96 40.55 1mg5 s TYR 61 CO 0.01 -0.42 1.57 -2.30 -1.11 0.00 0.00 175.55 173.30 1mg5 n PRO 62 N 4.80 2.59 -3.65 -1.71 -0.02 -1.26 -2.44 135.00 133.32 1mg5 n PRO 62 Ca -0.13 0.92 -0.10 0.00 -2.02 0.00 0.00 63.50 62.17 1mg5 n PRO 62 Cb 0.50 -2.69 -0.08 0.00 -0.02 0.00 0.00 33.50 31.22 1mg5 n PRO 62 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1mg5 s TYR 63 N 0.02 -0.91 -0.24 6.00 5.04 -0.13 -4.77 117.35 122.36 1mg5 s TYR 63 Ca 0.65 1.94 -0.03 0.00 -2.44 0.00 0.00 57.07 57.20 1mg5 s TYR 63 Cb -0.52 0.47 0.01 0.00 0.35 0.00 0.00 41.96 42.27 1mg5 s TYR 63 CO 0.48 -0.45 -0.05 0.34 -1.34 0.00 0.00 175.55 174.53 1mg5 s ASP 64 N 1.16 4.33 0.00 4.32 -1.08 -1.26 -2.23 116.67 121.91 1mg5 s ASP 64 Ca -0.06 -0.68 0.11 0.00 -0.52 0.00 0.00 52.55 51.40 1mg5 s ASP 64 Cb -0.05 -1.70 0.52 0.00 -1.46 0.00 0.00 42.92 40.22 1mg5 s ASP 64 CO -0.12 -0.09 1.32 1.33 0.52 0.00 0.00 175.17 178.13 1mg5 n VAL 65 N 4.73 1.03 1.61 1.11 0.24 -1.26 -2.75 118.33 123.05 1mg5 n VAL 65 Ca -0.17 0.26 0.13 0.00 -2.04 0.00 0.00 64.34 62.52 1mg5 n VAL 65 Cb 0.49 -1.07 0.59 0.00 -1.47 0.00 0.00 33.84 32.38 1mg5 n VAL 65 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1mg5 n THR 66 N -1.42 0.05 -1.50 3.34 -2.24 -1.26 -4.36 114.28 106.88 1mg5 n THR 66 Ca 0.04 -0.18 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 1mg5 n THR 66 Cb 0.12 0.14 0.07 0.00 -2.10 0.00 0.00 70.33 68.55 1mg5 n THR 66 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1mg5 s VAL 67 N -1.95 3.53 0.75 2.28 -7.23 -1.11 -4.99 120.40 111.68 1mg5 s VAL 67 Ca 0.38 0.56 -0.15 0.00 -1.81 0.00 0.00 61.98 60.95 1mg5 s VAL 67 Cb 0.19 -3.12 0.05 0.00 0.56 0.00 0.00 36.38 34.06 1mg5 s VAL 67 CO 0.31 -0.59 1.25 -2.84 -0.31 0.00 0.00 175.10 172.91 1mg5 s PRO 68 N -4.71 1.98 0.35 4.82 0.02 -1.26 -4.79 135.00 131.40 1mg5 s PRO 68 Ca 0.62 1.90 0.06 0.00 0.02 0.00 0.00 61.00 63.60 1mg5 s PRO 68 Cb -0.17 -1.80 0.74 0.00 0.02 0.00 0.00 34.50 33.30 1mg5 s PRO 68 CO 0.51 -1.99 1.91 0.97 -0.33 0.00 0.00 177.00 178.07 1mg5 h ILE 69 N -0.33 0.94 -0.24 2.83 2.10 -1.94 -0.15 117.51 120.73 1mg5 h ILE 69 Ca -0.48 -0.26 0.02 0.00 1.08 0.00 0.00 64.86 65.21 1mg5 h ILE 69 Cb 1.32 0.11 -0.01 0.00 -1.09 0.00 0.00 36.82 37.14 1mg5 h ILE 69 CO 0.49 0.14 0.16 0.00 -1.08 0.00 0.00 178.15 177.86 1mg5 h ALA 70 N 1.59 1.93 -0.22 0.18 0.00 -1.98 -0.54 119.26 120.21 1mg5 h ALA 70 Ca 0.39 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 1mg5 h ALA 70 Cb 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1mg5 h ALA 70 CO -0.16 0.04 -0.05 0.93 0.00 0.00 0.00 179.25 180.02 1mg5 h GLU 71 N 0.24 0.42 -0.88 0.00 4.39 -1.36 -1.94 114.58 115.45 1mg5 h GLU 71 Ca 0.09 -0.16 0.05 0.00 0.34 0.00 0.00 59.36 59.68 1mg5 h GLU 71 Cb 0.09 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 1mg5 h GLU 71 CO -0.02 0.66 0.58 1.15 -1.16 0.00 0.00 179.01 180.22 1mg5 h THR 72 N 0.15 1.10 -0.69 1.13 2.02 -1.22 -1.70 112.91 113.70 1mg5 h THR 72 Ca 0.06 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1mg5 h THR 72 Cb 0.51 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1mg5 h THR 72 CO 0.02 0.19 0.41 0.74 0.37 0.00 0.00 175.52 177.25 1mg5 h THR 73 N 1.05 1.20 -0.89 3.16 2.02 -0.96 0.98 112.91 119.48 1mg5 h THR 73 Ca 0.37 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1mg5 h THR 73 Cb 0.12 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 1mg5 h THR 73 CO -0.12 0.21 0.55 0.11 0.37 0.00 0.00 175.52 176.63 1mg5 h LYS 74 N 0.94 1.20 -0.17 6.66 6.56 -0.53 0.28 116.57 131.50 1mg5 h LYS 74 Ca 0.25 -0.10 -0.04 0.00 -1.06 0.00 0.00 60.65 59.69 1mg5 h LYS 74 Cb -0.02 -0.25 -0.00 0.00 -0.57 0.00 0.00 32.23 31.38 1mg5 h LYS 74 CO -0.05 0.83 -0.06 1.25 -2.06 0.00 0.00 179.45 179.36 1mg5 h LEU 75 N 1.22 0.35 -0.99 2.94 5.85 -0.76 -2.81 115.31 121.11 1mg5 h LEU 75 Ca 0.32 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1mg5 h LEU 75 Cb -0.07 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 1mg5 h LEU 75 CO -0.06 0.66 0.64 -0.07 -0.34 0.00 0.00 178.44 179.27 1mg5 h LEU 76 N 0.03 1.15 -0.93 2.25 3.38 -0.57 -1.24 115.31 119.38 1mg5 h LEU 76 Ca 0.04 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1mg5 h LEU 76 Cb 0.52 -0.29 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1mg5 h LEU 76 CO 0.02 0.85 0.56 0.50 0.09 0.00 0.00 178.44 180.45 1mg5 h LYS 77 N 1.35 0.84 -0.33 1.13 1.63 -0.90 0.15 116.57 120.44 1mg5 h LYS 77 Ca 0.36 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 60.06 1mg5 h LYS 77 Cb -0.13 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.30 1mg5 h LYS 77 CO -0.08 0.56 0.00 1.15 -3.45 0.00 0.00 179.45 177.63 1mg5 h THR 78 N 0.87 1.26 -0.62 1.00 2.02 -1.01 -0.90 112.91 115.53 1mg5 h THR 78 Ca 0.47 -0.95 -0.06 0.00 0.77 0.00 0.00 66.41 66.64 1mg5 h THR 78 Cb 0.51 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1mg5 h THR 78 CO -0.28 0.31 0.15 0.40 0.37 0.00 0.00 175.52 176.47 1mg5 h ILE 79 N 0.38 1.25 0.00 3.11 2.04 -0.54 -0.28 117.51 123.47 1mg5 h ILE 79 Ca 0.09 -0.91 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 1mg5 h ILE 79 Cb 0.44 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1mg5 h ILE 79 CO 0.02 0.34 -0.39 -0.26 0.00 0.00 0.00 178.15 177.86 1mg5 h PHE 80 N 0.90 0.00 -0.01 1.37 0.04 -0.70 0.08 116.94 118.63 1mg5 h PHE 80 Ca 0.19 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.85 1mg5 h PHE 80 Cb 0.35 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 1mg5 h PHE 80 CO 0.03 0.39 -0.52 0.00 -0.60 0.00 0.00 178.31 177.60 1mg5 h ALA 81 N 1.61 1.11 -0.07 2.45 0.00 -0.39 0.33 119.26 124.31 1mg5 h ALA 81 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1mg5 h ALA 81 Cb 0.70 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1mg5 h ALA 81 CO 0.05 0.66 -0.27 0.37 0.00 0.00 0.00 179.25 180.06 1mg5 h GLN 82 N 0.03 0.30 -0.00 0.00 4.15 -0.30 -3.39 115.11 115.90 1mg5 h GLN 82 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1mg5 h GLN 82 Cb 0.94 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1mg5 h GLN 82 CO 0.07 0.87 -0.30 1.28 -1.93 0.00 0.00 178.83 178.82 1mg5 n LEU 83 N -4.47 0.43 0.00 -2.39 4.77 -0.06 -5.02 117.00 110.25 1mg5 n LEU 83 Ca -0.08 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1mg5 n LEU 83 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1mg5 n LEU 83 CO 0.41 0.10 0.00 0.29 -1.33 0.00 0.00 177.39 176.86 1mg5 n LYS 84 N -1.04 0.00 -4.15 3.23 4.76 0.12 -4.84 118.16 116.24 1mg5 n LYS 84 Ca 0.02 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.30 1mg5 n LYS 84 Cb 0.11 -0.13 -0.11 0.00 -1.84 0.00 0.00 35.03 33.06 1mg5 n LYS 84 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1mg5 s THR 85 N 0.00 0.94 -0.05 -0.18 -4.23 -1.26 -4.92 115.64 105.93 1mg5 s THR 85 Ca 0.00 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1mg5 s THR 85 Cb 0.00 -1.12 0.02 0.00 1.34 0.00 0.00 72.50 72.74 1mg5 s THR 85 CO 0.00 -0.40 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.94 1mg5 s VAL 86 N -1.82 0.56 -0.23 2.29 1.01 -1.26 -4.82 120.40 116.13 1mg5 s VAL 86 Ca -0.00 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1mg5 s VAL 86 Cb -0.07 -0.59 -0.20 0.00 0.00 0.00 0.00 36.38 35.52 1mg5 s VAL 86 CO 0.01 0.24 -0.07 0.47 0.00 0.00 0.00 175.10 175.74 1mg5 n ASP 87 N 4.17 1.22 -3.94 3.32 8.00 0.31 -4.92 116.55 124.70 1mg5 n ASP 87 Ca -0.23 -0.06 -0.16 0.00 0.71 0.00 0.00 54.79 55.05 1mg5 n ASP 87 Cb 0.51 0.11 -0.15 0.00 -0.02 0.00 0.00 41.12 41.57 1mg5 n ASP 87 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1mg5 s VAL 88 N -2.51 0.42 -0.14 2.53 1.01 -1.02 -2.47 120.40 118.22 1mg5 s VAL 88 Ca -0.24 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1mg5 s VAL 88 Cb 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1mg5 s VAL 88 CO 0.70 0.13 -0.19 -0.22 0.00 0.00 0.00 175.10 175.53 1mg5 s LEU 89 N 0.06 2.31 -0.24 3.92 2.96 -0.33 -1.12 118.68 126.25 1mg5 s LEU 89 Ca -0.00 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.36 1mg5 s LEU 89 Cb -0.04 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.15 1mg5 s LEU 89 CO -0.00 0.10 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.45 1mg5 s ILE 90 N 0.73 3.19 -0.56 6.68 1.01 0.52 -0.48 121.20 132.29 1mg5 s ILE 90 Ca -0.08 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.63 1mg5 s ILE 90 Cb -0.16 -2.55 0.11 0.00 0.01 0.00 0.00 42.46 39.88 1mg5 s ILE 90 CO 0.01 0.28 0.59 0.20 0.00 0.00 0.00 174.94 176.02 1mg5 s ASN 91 N 1.41 6.19 -0.01 3.58 0.01 -0.45 -0.87 114.94 124.79 1mg5 s ASN 91 Ca 0.03 -1.59 0.04 0.00 -0.71 0.00 0.00 52.86 50.63 1mg5 s ASN 91 Cb -0.16 -2.25 0.10 0.00 0.41 0.00 0.00 41.25 39.36 1mg5 s ASN 91 CO -0.03 -0.96 1.08 0.61 -1.51 0.00 0.00 177.10 176.29 1mg5 n GLY 92 N 5.26 3.08 3.77 0.66 0.00 0.11 -1.39 105.19 116.69 1mg5 n GLY 92 Ca -0.12 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 1mg5 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg5 s ALA 93 N -1.16 3.19 -0.21 4.61 0.00 -1.25 -4.81 121.76 122.14 1mg5 s ALA 93 Ca 0.08 1.02 -0.27 0.00 0.00 0.00 0.00 51.96 52.79 1mg5 s ALA 93 Cb 0.05 -3.40 0.10 0.00 0.00 0.00 0.00 23.12 19.88 1mg5 s ALA 93 CO 0.04 -0.56 0.88 0.20 0.00 0.00 0.00 175.76 176.32 1mg5 s GLY 94 N -1.04 -0.35 0.16 0.00 0.00 -1.26 -4.56 107.32 100.27 1mg5 s GLY 94 Ca 0.56 2.14 0.10 0.00 0.00 0.00 0.00 44.72 47.52 1mg5 s GLY 94 CO 0.41 1.49 -0.23 -0.26 0.00 0.00 0.00 173.10 174.51 1mg5 s ILE 95 N -0.26 2.09 -0.36 0.90 -4.36 -1.26 -5.05 121.20 112.89 1mg5 s ILE 95 Ca -0.01 -1.87 0.02 0.00 -0.26 0.00 0.00 60.65 58.52 1mg5 s ILE 95 Cb -0.03 -1.93 0.11 0.00 1.25 0.00 0.00 42.46 41.85 1mg5 s ILE 95 CO 0.00 -0.12 0.13 -0.22 0.24 0.00 0.00 174.94 174.96 1mg5 s LEU 96 N -2.43 3.22 -0.34 0.37 0.20 -1.26 -4.94 118.68 113.50 1mg5 s LEU 96 Ca 0.16 -2.10 -0.00 0.00 0.69 0.00 0.00 54.13 52.88 1mg5 s LEU 96 Cb -0.08 -1.18 0.19 0.00 -0.43 0.00 0.00 46.19 44.69 1mg5 s LEU 96 CO 0.07 -0.36 0.80 -0.62 -0.29 0.00 0.00 176.35 175.95 1mg5 s ASP 97 N 1.00 -1.07 0.00 3.68 -1.08 -1.26 -4.51 116.67 113.43 1mg5 s ASP 97 Ca 0.12 -0.22 0.00 0.00 -0.52 0.00 0.00 52.55 51.93 1mg5 s ASP 97 Cb -0.20 1.51 0.00 0.00 -1.46 0.00 0.00 42.92 42.77 1mg5 s ASP 97 CO -0.13 -0.16 0.87 0.47 0.52 0.00 0.00 175.17 176.74 1mg5 n ASP 98 N 4.67 0.01 0.03 -0.34 9.92 -0.72 -1.07 116.55 129.05 1mg5 n ASP 98 Ca 0.08 -1.75 0.12 0.00 -0.53 0.00 0.00 54.79 52.70 1mg5 n ASP 98 Cb 0.58 -0.01 0.18 0.00 -0.64 0.00 0.00 41.12 41.23 1mg5 n ASP 98 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1mg5 n HIS 99 N -0.49 0.25 -3.58 1.24 8.25 -1.26 -4.43 115.22 115.19 1mg5 n HIS 99 Ca 0.00 0.07 -0.34 0.00 -0.26 0.00 0.00 57.72 57.19 1mg5 n HIS 99 Cb 0.00 -0.43 -0.07 0.00 1.12 0.00 0.00 29.99 30.61 1mg5 n HIS 99 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1mg5 n GLN 100 N -1.80 2.68 0.34 -0.41 6.02 -0.23 -4.94 117.38 119.03 1mg5 n GLN 100 Ca 0.04 -4.53 -0.17 0.00 -0.01 0.00 0.00 57.00 52.34 1mg5 n GLN 100 Cb 0.39 -2.38 -0.08 0.00 1.02 0.00 0.00 30.24 29.19 1mg5 n GLN 100 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1mg5 h ILE 101 N 3.88 0.31 -0.60 5.09 2.04 -1.79 -1.28 117.51 125.16 1mg5 h ILE 101 Ca 0.17 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1mg5 h ILE 101 Cb 0.75 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1mg5 h ILE 101 CO 0.88 0.02 0.38 -0.33 0.00 0.00 0.00 178.15 179.11 1mg5 h GLU 102 N -0.99 0.75 -0.47 2.37 3.07 -1.97 -2.39 114.58 114.95 1mg5 h GLU 102 Ca -0.09 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.60 1mg5 h GLU 102 Cb 0.69 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1mg5 h GLU 102 CO 0.14 0.50 -0.21 -0.09 -1.40 0.00 0.00 179.01 177.95 1mg5 h ARG 103 N 0.77 0.96 -0.61 2.33 9.65 -1.96 -0.39 114.38 125.14 1mg5 h ARG 103 Ca 0.23 -0.41 0.07 0.00 -1.10 0.00 0.00 59.98 58.77 1mg5 h ARG 103 Cb -0.05 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.44 1mg5 h ARG 103 CO -0.07 1.08 0.29 1.15 2.80 0.00 0.00 179.97 185.21 1mg5 h THR 104 N 0.83 0.88 -0.33 0.20 2.02 -1.04 0.10 112.91 115.58 1mg5 h THR 104 Ca 0.11 -0.18 -0.18 0.00 0.77 0.00 0.00 66.41 66.93 1mg5 h THR 104 Cb 0.78 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1mg5 h THR 104 CO 0.07 0.10 -0.48 0.40 0.37 0.00 0.00 175.52 175.97 1mg5 h ILE 105 N 0.52 1.27 -0.55 3.11 2.04 -1.23 -0.78 117.51 121.89 1mg5 h ILE 105 Ca 0.29 -1.66 -0.08 0.00 1.00 0.00 0.00 64.86 64.41 1mg5 h ILE 105 Cb 0.26 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1mg5 h ILE 105 CO -0.23 0.55 0.02 0.00 0.00 0.00 0.00 178.15 178.49 1mg5 h ALA 106 N 0.72 0.99 0.02 1.87 0.00 -0.48 -1.44 119.26 120.94 1mg5 h ALA 106 Ca 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1mg5 h ALA 106 Cb 1.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1mg5 h ALA 106 CO 0.11 0.62 -0.01 0.28 0.00 0.00 0.00 179.25 180.25 1mg5 h VAL 107 N 0.87 1.32 0.00 0.00 2.07 -0.82 0.24 116.25 119.93 1mg5 h VAL 107 Ca 0.16 -1.86 -0.19 0.00 0.82 0.00 0.00 66.70 65.64 1mg5 h VAL 107 Cb 0.48 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1mg5 h VAL 107 CO 0.02 0.43 -0.84 0.78 0.02 0.00 0.00 177.57 177.97 1mg5 h ASN 108 N -0.94 0.17 0.00 0.57 4.21 -1.15 -3.34 115.58 115.10 1mg5 h ASN 108 Ca -0.00 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.37 1mg5 h ASN 108 Cb 0.72 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.87 1mg5 h ASN 108 CO 0.00 0.93 -0.12 0.00 -1.29 0.00 0.00 177.43 176.96 1mg5 n TYR 109 N -3.64 0.00 -0.18 1.19 9.36 -0.64 -4.59 117.16 118.65 1mg5 n TYR 109 Ca -0.03 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.19 1mg5 n TYR 109 Cb 0.79 -0.06 0.09 0.00 -0.63 0.00 0.00 39.34 39.53 1mg5 n TYR 109 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1mg5 h THR 110 N -0.12 0.65 -0.49 2.97 2.02 -1.39 -1.00 112.91 115.56 1mg5 h THR 110 Ca 0.00 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1mg5 h THR 110 Cb 0.12 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1mg5 h THR 110 CO 0.00 0.04 0.28 1.23 0.37 0.00 0.00 175.52 177.44 1mg5 h GLY 111 N 0.23 0.72 0.88 2.16 0.00 -0.63 0.39 103.07 106.83 1mg5 h GLY 111 Ca 0.29 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.33 1mg5 h GLY 111 CO -0.39 0.30 0.21 -2.00 0.00 0.00 0.00 176.54 174.67 1mg5 h LEU 112 N 0.65 0.33 -0.60 3.11 6.46 -1.48 -0.55 115.31 123.24 1mg5 h LEU 112 Ca 0.17 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1mg5 h LEU 112 Cb 0.02 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.86 1mg5 h LEU 112 CO -0.03 0.24 0.32 0.58 -0.62 0.00 0.00 178.44 178.93 1mg5 h VAL 113 N 0.43 1.20 -0.49 1.05 2.07 -0.92 -1.80 116.25 117.78 1mg5 h VAL 113 Ca 0.15 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 1mg5 h VAL 113 Cb 0.03 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1mg5 h VAL 113 CO -0.08 0.22 0.00 0.78 0.02 0.00 0.00 177.57 178.51 1mg5 h ASN 114 N 0.81 0.85 -0.58 0.57 2.35 -0.59 0.49 115.58 119.47 1mg5 h ASN 114 Ca 0.21 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 1mg5 h ASN 114 Cb 0.06 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1mg5 h ASN 114 CO -0.03 0.95 0.15 0.74 -1.65 0.00 0.00 177.43 177.59 1mg5 h THR 115 N 0.73 1.25 -0.30 2.81 2.02 -1.05 0.14 112.91 118.51 1mg5 h THR 115 Ca 0.14 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.45 1mg5 h THR 115 Cb 0.51 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1mg5 h THR 115 CO 0.02 0.33 0.18 0.74 0.37 0.00 0.00 175.52 177.16 1mg5 h THR 116 N 0.83 1.04 -0.71 3.16 2.02 -1.15 -1.18 112.91 116.93 1mg5 h THR 116 Ca 0.18 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 1mg5 h THR 116 Cb 0.33 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1mg5 h THR 116 CO 0.00 0.07 0.29 0.74 0.37 0.00 0.00 175.52 176.99 1mg5 h THR 117 N 0.37 1.24 -0.46 3.16 2.02 -0.65 -1.97 112.91 116.62 1mg5 h THR 117 Ca 0.12 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 1mg5 h THR 117 Cb -0.01 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1mg5 h THR 117 CO -0.05 0.30 0.10 0.00 0.37 0.00 0.00 175.52 176.25 1mg5 h ALA 118 N 1.14 0.60 0.00 6.16 0.00 -0.48 -2.80 119.26 123.88 1mg5 h ALA 118 Ca 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1mg5 h ALA 118 Cb 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1mg5 h ALA 118 CO -0.02 0.30 -0.09 0.97 0.00 0.00 0.00 179.25 180.41 1mg5 h ILE 119 N 0.61 0.24 0.00 0.00 2.10 -0.93 -2.40 117.51 117.12 1mg5 h ILE 119 Ca 0.14 -0.70 -0.02 0.00 1.08 0.00 0.00 64.86 65.36 1mg5 h ILE 119 Cb 0.34 1.57 -0.00 0.00 -1.09 0.00 0.00 36.82 37.63 1mg5 h ILE 119 CO 0.00 0.08 -0.12 -0.07 -1.08 0.00 0.00 178.15 176.97 1mg5 h LEU 120 N 0.00 0.00 -1.55 2.19 -0.00 -1.08 -0.76 115.31 114.11 1mg5 h LEU 120 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1mg5 h LEU 120 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 1mg5 h LEU 120 CO 0.01 0.12 -0.10 -0.78 -0.00 0.00 0.00 178.44 177.69 1mg5 h ASP 121 N 0.00 0.16 0.51 -0.43 3.58 -1.46 0.29 116.42 119.07 1mg5 h ASP 121 Ca -0.00 -0.03 -0.29 0.00 0.42 0.00 0.00 57.03 57.13 1mg5 h ASP 121 Cb 0.35 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 1mg5 h ASP 121 CO 0.02 0.28 -1.60 -0.26 -2.88 0.00 0.00 179.24 174.80 1mg5 h PHE 122 N 0.17 0.15 0.00 0.28 -1.00 -1.40 -3.42 116.94 111.72 1mg5 h PHE 122 Ca 0.04 -0.11 -0.28 0.00 2.81 0.00 0.00 57.97 60.43 1mg5 h PHE 122 Cb 0.28 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 39.78 1mg5 h PHE 122 CO 0.00 1.18 -2.24 0.91 -1.61 0.00 0.00 178.31 176.55 1mg5 n TRP 123 N -3.23 0.00 -1.62 -0.55 8.01 -0.40 -4.33 117.44 115.31 1mg5 n TRP 123 Ca -0.16 0.00 -0.50 0.00 -1.31 0.00 0.00 57.50 55.53 1mg5 n TRP 123 Cb 1.03 -0.85 -0.05 0.00 -2.01 0.00 0.00 31.31 29.43 1mg5 n TRP 123 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1mg5 n ASP 124 N -2.61 2.21 0.29 -0.99 -0.08 0.98 -0.28 116.55 116.08 1mg5 n ASP 124 Ca -0.25 1.10 0.19 0.00 -1.51 0.00 0.00 54.79 54.32 1mg5 n ASP 124 Cb 1.00 -1.28 0.84 0.00 2.34 0.00 0.00 41.12 44.02 1mg5 n ASP 124 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1mg5 h LYS 125 N 5.18 0.00 0.00 -0.67 2.10 -1.12 -1.03 116.57 121.02 1mg5 h LYS 125 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1mg5 h LYS 125 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1mg5 h LYS 125 CO 0.82 0.01 0.00 0.54 -2.00 0.00 0.00 179.45 178.82 1mg5 n ARG 126 N -3.11 0.14 -0.35 0.07 1.74 -1.26 -1.51 116.66 112.38 1mg5 n ARG 126 Ca -0.01 0.21 0.12 0.00 -0.77 0.00 0.00 57.85 57.40 1mg5 n ARG 126 Cb 0.24 -1.69 0.31 0.00 -1.02 0.00 0.00 32.46 30.30 1mg5 n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1mg5 n LYS 127 N -1.93 2.72 -0.88 5.56 4.76 -0.49 -4.93 118.16 122.97 1mg5 n LYS 127 Ca 0.05 -2.61 0.00 0.00 -2.87 0.00 0.00 58.31 52.88 1mg5 n LYS 127 Cb 0.32 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1mg5 n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mg5 n GLY 128 N 1.59 0.54 3.97 0.72 0.00 -0.57 -4.99 105.19 106.46 1mg5 n GLY 128 Ca 0.24 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1mg5 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mg5 s GLY 129 N -2.14 1.76 0.00 -0.02 0.00 -0.63 -4.97 107.32 101.31 1mg5 s GLY 129 Ca 0.00 -1.42 0.25 0.00 0.00 0.00 0.00 44.72 43.55 1mg5 s GLY 129 CO 0.00 -0.89 1.70 -1.55 0.00 0.00 0.00 173.10 172.36 1mg5 n PRO 130 N -2.95 1.63 -0.01 2.90 -0.04 -1.20 -4.06 135.00 131.28 1mg5 n PRO 130 Ca 0.13 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1mg5 n PRO 130 Cb 0.60 -1.45 -0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1mg5 n PRO 130 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mg5 n GLY 131 N 1.14 -2.19 0.00 0.55 0.00 0.61 -5.00 105.19 100.30 1mg5 n GLY 131 Ca 0.18 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1mg5 n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mg5 n GLY 132 N -0.57 -1.32 3.02 -0.02 0.00 -1.01 -4.82 105.19 100.47 1mg5 n GLY 132 Ca 0.00 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 1mg5 n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mg5 s ILE 133 N -2.86 0.97 -0.15 -0.61 1.01 -1.03 -1.31 121.20 117.21 1mg5 s ILE 133 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1mg5 s ILE 133 Cb 0.00 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.61 1mg5 s ILE 133 CO 0.00 0.30 -0.20 -0.63 0.00 0.00 0.00 174.94 174.41 1mg5 s ILE 134 N 0.33 2.15 -0.32 2.92 1.01 -0.02 -1.18 121.20 126.07 1mg5 s ILE 134 Ca -0.07 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 1mg5 s ILE 134 Cb -0.11 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.50 1mg5 s ILE 134 CO 0.02 0.54 0.12 0.00 0.00 0.00 0.00 174.94 175.62 1mg5 s ASN 136 N 1.50 5.91 -0.41 0.00 0.01 -0.62 -1.34 114.94 120.00 1mg5 s ASN 136 Ca 0.02 0.25 -0.24 0.00 -0.71 0.00 0.00 52.86 52.18 1mg5 s ASN 136 Cb -0.18 -1.93 0.02 0.00 0.41 0.00 0.00 41.25 39.56 1mg5 s ASN 136 CO 0.04 0.29 0.83 -0.63 -1.51 0.00 0.00 177.10 176.12 1mg5 s ILE 137 N -0.33 4.64 0.00 0.60 1.01 -0.48 -0.96 121.20 125.68 1mg5 s ILE 137 Ca 0.10 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1mg5 s ILE 137 Cb -0.12 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.05 1mg5 s ILE 137 CO 0.01 -0.60 0.00 0.61 0.00 0.00 0.00 174.94 174.96 1mg5 n GLY 138 N 4.71 0.60 0.00 6.18 0.00 0.44 -4.90 105.19 112.22 1mg5 n GLY 138 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1mg5 n GLY 138 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mg5 n SER 139 N 0.00 0.00 0.30 1.61 2.88 -1.26 -4.64 113.62 112.51 1mg5 n SER 139 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1mg5 n SER 139 Cb 0.00 0.00 0.97 0.00 -0.75 0.00 0.00 64.21 64.43 1mg5 n SER 139 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1mg5 h VAL 140 N 1.46 0.30 0.00 2.46 -1.51 -1.56 -1.45 116.25 115.94 1mg5 h VAL 140 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1mg5 h VAL 140 Cb 0.00 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1mg5 h VAL 140 CO 0.00 0.03 0.00 0.35 -1.23 0.00 0.00 177.57 176.72 1mg5 n THR 141 N -3.46 0.97 0.42 7.19 -2.24 -1.25 -1.14 114.28 114.77 1mg5 n THR 141 Ca -0.02 0.40 0.13 0.00 -2.27 0.00 0.00 64.05 62.28 1mg5 n THR 141 Cb 0.13 -1.34 0.36 0.00 -2.10 0.00 0.00 70.33 67.38 1mg5 n THR 141 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1mg5 h GLY 142 N 1.49 0.00 0.00 3.38 0.00 -1.45 -3.05 103.07 103.44 1mg5 h GLY 142 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1mg5 h GLY 142 CO 0.00 0.00 -0.98 0.74 0.00 0.00 0.00 176.54 176.30 1mg5 h PHE 143 N 0.00 0.00 -2.94 5.60 0.04 -1.29 -3.39 116.94 114.97 1mg5 h PHE 143 Ca 0.00 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.45 1mg5 h PHE 143 Cb 0.77 0.00 -0.36 0.00 2.20 0.00 0.00 35.95 38.56 1mg5 h PHE 143 CO 0.00 0.97 -0.64 -0.80 -0.60 0.00 0.00 178.31 177.24 1mg5 s ASN 144 N -6.46 1.08 0.84 2.17 -0.87 -0.85 -5.12 114.94 105.72 1mg5 s ASN 144 Ca -0.24 0.09 -0.12 0.00 -1.57 0.00 0.00 52.86 51.02 1mg5 s ASN 144 Cb 0.04 0.25 0.10 0.00 -0.02 0.00 0.00 41.25 41.63 1mg5 s ASN 144 CO 0.46 -0.28 1.19 0.00 -2.57 0.00 0.00 177.10 175.91 1mg5 s ALA 145 N 2.29 1.73 -0.63 0.60 0.00 -1.15 -3.97 121.76 120.63 1mg5 s ALA 145 Ca 0.04 0.79 -0.23 0.00 0.00 0.00 0.00 51.96 52.56 1mg5 s ALA 145 Cb -0.13 -3.49 0.06 0.00 0.00 0.00 0.00 23.12 19.56 1mg5 s ALA 145 CO -0.08 -2.43 0.95 0.42 0.00 0.00 0.00 175.76 174.62 1mg5 s ILE 146 N -2.27 4.35 -0.02 0.00 1.01 -1.26 -4.92 121.20 118.09 1mg5 s ILE 146 Ca 0.72 -0.20 0.30 0.00 0.00 0.00 0.00 60.65 61.47 1mg5 s ILE 146 Cb -0.27 -4.64 0.31 0.00 0.01 0.00 0.00 42.46 37.87 1mg5 s ILE 146 CO 0.52 -1.36 1.90 0.10 0.00 0.00 0.00 174.94 176.11 1mg5 h TYR 147 N 9.49 0.00 0.00 3.97 -0.00 -1.98 -1.75 116.97 126.71 1mg5 h TYR 147 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.45 1mg5 h TYR 147 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.80 1mg5 h TYR 147 CO 0.95 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 180.15 1mg5 n GLN 148 N -2.60 0.11 -3.44 0.10 3.00 -1.26 -3.35 117.38 109.94 1mg5 n GLN 148 Ca -0.00 0.14 -0.26 0.00 -0.01 0.00 0.00 57.00 56.87 1mg5 n GLN 148 Cb 0.15 -1.64 -0.09 0.00 0.00 0.00 0.00 30.24 28.66 1mg5 n GLN 148 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1mg5 n VAL 149 N -1.84 1.19 0.12 5.09 0.24 -0.66 -2.34 118.33 120.13 1mg5 n VAL 149 Ca 0.06 -4.72 -0.01 0.00 -2.04 0.00 0.00 64.34 57.63 1mg5 n VAL 149 Cb 0.34 -2.04 0.24 0.00 -1.47 0.00 0.00 33.84 30.91 1mg5 n VAL 149 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1mg5 h PRO 150 N 4.45 0.14 0.02 7.34 0.13 -1.65 -1.34 132.00 141.09 1mg5 h PRO 150 Ca 0.17 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1mg5 h PRO 150 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1mg5 h PRO 150 CO 0.69 0.57 -0.01 0.28 -0.23 0.00 0.00 178.00 179.29 1mg5 h VAL 151 N 0.12 1.34 -0.36 1.56 2.07 -1.92 -1.99 116.25 117.07 1mg5 h VAL 151 Ca 0.01 -1.17 0.07 0.00 0.82 0.00 0.00 66.70 66.43 1mg5 h VAL 151 Cb 0.84 2.12 -0.07 0.00 -1.52 0.00 0.00 31.29 32.67 1mg5 h VAL 151 CO 0.06 0.30 -0.06 0.22 0.02 0.00 0.00 177.57 178.11 1mg5 h TYR 152 N -0.54 -0.13 -0.83 1.57 3.20 -1.93 -1.80 116.97 116.51 1mg5 h TYR 152 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1mg5 h TYR 152 Cb 0.51 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 1mg5 h TYR 152 CO 0.10 -0.13 0.46 0.77 -1.64 0.00 0.00 178.16 177.73 1mg5 h SER 153 N 0.03 1.03 -0.89 -2.11 0.02 -1.22 -1.43 113.55 108.98 1mg5 h SER 153 Ca 0.18 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1mg5 h SER 153 Cb 0.26 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1mg5 h SER 153 CO -0.35 0.82 0.48 1.23 -1.14 0.00 0.00 176.83 177.87 1mg5 h GLY 154 N 1.18 1.33 1.00 -3.77 0.00 -1.01 -1.13 103.07 100.68 1mg5 h GLY 154 Ca 0.29 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 47.02 1mg5 h GLY 154 CO -0.05 0.59 0.66 -0.91 0.00 0.00 0.00 176.54 176.83 1mg5 h THR 155 N 1.25 1.25 0.00 4.70 1.35 -0.42 -1.78 112.91 119.26 1mg5 h THR 155 Ca 0.31 -0.46 -0.12 0.00 -0.55 0.00 0.00 66.41 65.60 1mg5 h THR 155 Cb 0.04 -0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 66.24 1mg5 h THR 155 CO -0.05 0.24 -0.56 0.11 -0.25 0.00 0.00 175.52 175.02 1mg5 h LYS 156 N 1.34 0.00 -0.75 4.72 1.79 -0.65 -1.94 116.57 121.07 1mg5 h LYS 156 Ca 0.37 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.79 1mg5 h LYS 156 Cb -0.14 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.47 1mg5 h LYS 156 CO -0.08 0.56 0.30 0.00 -1.08 0.00 0.00 179.45 179.15 1mg5 h ALA 157 N 1.44 1.11 -0.33 3.86 0.00 -0.64 -1.72 119.26 122.99 1mg5 h ALA 157 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1mg5 h ALA 157 Cb 1.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1mg5 h ALA 157 CO 0.07 0.64 0.07 0.00 0.00 0.00 0.00 179.25 180.03 1mg5 h ALA 158 N 1.23 0.43 -0.64 0.00 0.00 -0.96 -1.58 119.26 117.74 1mg5 h ALA 158 Ca 0.25 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1mg5 h ALA 158 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1mg5 h ALA 158 CO -0.02 0.11 0.42 0.28 0.00 0.00 0.00 179.25 180.03 1mg5 h VAL 159 N 0.37 1.15 -0.52 0.00 2.07 -1.01 0.26 116.25 118.57 1mg5 h VAL 159 Ca 0.10 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1mg5 h VAL 159 Cb 0.31 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1mg5 h VAL 159 CO 0.00 0.15 0.16 0.58 0.02 0.00 0.00 177.57 178.49 1mg5 h VAL 160 N 0.85 1.23 -0.10 2.57 2.07 -1.09 -0.57 116.25 121.21 1mg5 h VAL 160 Ca 0.24 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1mg5 h VAL 160 Cb -0.07 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1mg5 h VAL 160 CO -0.06 0.29 -0.05 -1.13 0.02 0.00 0.00 177.57 176.63 1mg5 h ASN 161 N 0.71 0.23 -0.70 0.57 -0.73 -0.98 -1.73 115.58 112.94 1mg5 h ASN 161 Ca 0.17 -0.42 0.08 0.00 1.87 0.00 0.00 56.30 57.99 1mg5 h ASN 161 Cb 0.28 -0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.75 1mg5 h ASN 161 CO -0.00 0.60 0.38 0.15 -0.37 0.00 0.00 177.43 178.18 1mg5 h PHE 162 N -0.15 0.68 -0.51 0.67 3.57 -0.46 -1.97 116.94 118.78 1mg5 h PHE 162 Ca 0.02 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.43 1mg5 h PHE 162 Cb 0.52 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1mg5 h PHE 162 CO 0.07 0.29 -0.14 1.15 -2.23 0.00 0.00 178.31 177.46 1mg5 h THR 163 N 0.67 1.27 -0.80 4.41 2.02 -0.98 -1.06 112.91 118.43 1mg5 h THR 163 Ca 0.33 -1.29 0.06 0.00 0.77 0.00 0.00 66.41 66.29 1mg5 h THR 163 Cb 0.27 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 1mg5 h THR 163 CO -0.22 0.45 0.48 -1.28 0.37 0.00 0.00 175.52 175.32 1mg5 h SER 164 N 0.87 0.74 -0.54 4.18 0.87 -0.89 -1.64 113.55 117.14 1mg5 h SER 164 Ca 0.13 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 1mg5 h SER 164 Cb 0.69 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1mg5 h SER 164 CO 0.05 0.47 0.09 0.28 -0.53 0.00 0.00 176.83 177.19 1mg5 h SER 165 N 0.88 0.85 -0.53 6.23 0.02 -0.84 -2.19 113.55 117.98 1mg5 h SER 165 Ca 0.36 -0.26 0.08 0.00 -0.84 0.00 0.00 61.79 61.13 1mg5 h SER 165 Cb 0.20 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.44 1mg5 h SER 165 CO -0.18 0.89 0.15 -0.07 -1.14 0.00 0.00 176.83 176.48 1mg5 h LEU 166 N 0.78 0.11 -0.95 5.07 3.38 -0.70 -1.33 115.31 121.66 1mg5 h LEU 166 Ca 0.16 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1mg5 h LEU 166 Cb 0.40 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1mg5 h LEU 166 CO 0.01 0.08 0.61 0.00 0.09 0.00 0.00 178.44 179.23 1mg5 h ALA 167 N 1.38 1.28 0.00 1.53 0.00 -1.08 -1.35 119.26 121.03 1mg5 h ALA 167 Ca 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1mg5 h ALA 167 Cb 0.33 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1mg5 h ALA 167 CO -0.30 0.44 -0.02 0.87 0.00 0.00 0.00 179.25 180.24 1mg5 h LYS 168 N 1.15 0.00 -0.01 0.00 1.57 -0.64 -2.68 116.57 115.96 1mg5 h LYS 168 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1mg5 h LYS 168 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1mg5 h LYS 168 CO -0.15 0.02 -0.20 1.28 -0.57 0.00 0.00 179.45 179.83 1mg5 n LEU 169 N -3.12 1.10 -0.34 2.94 4.77 -0.55 -4.41 117.00 117.39 1mg5 n LEU 169 Ca 0.00 -0.30 0.11 0.00 -0.03 0.00 0.00 56.01 55.79 1mg5 n LEU 169 Cb 0.29 -0.10 0.29 0.00 -2.33 0.00 0.00 43.42 41.56 1mg5 n LEU 169 CO 0.27 0.20 1.17 0.00 -1.33 0.00 0.00 177.39 177.70 1mg5 h ALA 170 N 3.82 1.54 -0.08 -1.18 0.00 -1.08 0.96 119.26 123.24 1mg5 h ALA 170 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1mg5 h ALA 170 Cb 0.50 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1mg5 h ALA 170 CO 0.00 -0.04 0.03 -1.35 0.00 0.00 0.00 179.25 177.90 1mg5 h PRO 171 N 0.74 0.11 0.11 0.00 0.11 -1.83 0.49 132.00 131.73 1mg5 h PRO 171 Ca 0.54 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 66.37 1mg5 h PRO 171 Cb 0.79 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1mg5 h PRO 171 CO -0.37 0.09 -1.38 0.82 -0.21 0.00 0.00 178.00 176.95 1mg5 h ILE 172 N 0.11 1.04 0.00 4.15 2.04 -1.19 -3.40 117.51 120.25 1mg5 h ILE 172 Ca 0.03 -2.39 -0.11 0.00 1.00 0.00 0.00 64.86 63.40 1mg5 h ILE 172 Cb 0.02 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 1mg5 h ILE 172 CO -0.00 0.69 -1.54 0.35 0.00 0.00 0.00 178.15 177.64 1mg5 n THR 173 N -3.95 0.78 -0.86 -0.27 -2.24 -0.35 -4.55 114.28 102.85 1mg5 n THR 173 Ca -0.25 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1mg5 n THR 173 Cb 0.88 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1mg5 n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mg5 n GLY 174 N 1.34 0.83 3.38 3.38 0.00 0.17 -0.83 105.19 113.47 1mg5 n GLY 174 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1mg5 n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mg5 s VAL 175 N -3.23 4.12 0.52 1.61 1.01 -1.26 -2.40 120.40 120.78 1mg5 s VAL 175 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1mg5 s VAL 175 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1mg5 s VAL 175 CO 0.00 0.16 0.77 0.42 0.00 0.00 0.00 175.10 176.45 1mg5 s THR 176 N 1.55 3.74 0.06 3.92 -4.23 -0.43 -3.97 115.64 116.27 1mg5 s THR 176 Ca 0.04 -0.31 -0.27 0.00 -1.18 0.00 0.00 61.69 59.97 1mg5 s THR 176 Cb -0.16 -3.43 0.08 0.00 1.34 0.00 0.00 72.50 70.33 1mg5 s THR 176 CO 0.03 -0.36 0.68 0.00 -0.54 0.00 0.00 174.62 174.43 1mg5 s ALA 177 N -2.75 -1.70 0.14 3.99 0.00 -1.26 -0.84 121.76 119.34 1mg5 s ALA 177 Ca 0.51 0.88 -0.23 0.00 0.00 0.00 0.00 51.96 53.12 1mg5 s ALA 177 Cb -0.10 0.46 0.07 0.00 0.00 0.00 0.00 23.12 23.55 1mg5 s ALA 177 CO 0.41 -0.61 0.58 1.52 0.00 0.00 0.00 175.76 177.66 1mg5 s TYR 178 N -2.70 -0.51 0.10 0.00 -0.85 -0.87 -0.25 117.35 112.27 1mg5 s TYR 178 Ca -0.03 0.33 0.04 0.00 -0.52 0.00 0.00 57.07 56.89 1mg5 s TYR 178 Cb -0.01 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1mg5 s TYR 178 CO -0.04 -0.81 0.05 0.95 -1.52 0.00 0.00 175.55 174.17 1mg5 s THR 179 N -3.57 4.27 -0.21 -3.49 -4.23 -1.07 -1.59 115.64 105.76 1mg5 s THR 179 Ca 0.00 -0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.56 1mg5 s THR 179 Cb -0.01 -3.07 -0.00 0.00 1.34 0.00 0.00 72.50 70.76 1mg5 s THR 179 CO -0.11 0.08 -0.08 0.68 -0.54 0.00 0.00 174.62 174.65 1mg5 s VAL 180 N -1.41 3.09 -0.41 2.29 -7.23 -0.14 -1.57 120.40 115.01 1mg5 s VAL 180 Ca 0.28 -0.59 0.04 0.00 -1.81 0.00 0.00 61.98 59.89 1mg5 s VAL 180 Cb -0.12 -2.38 0.11 0.00 0.56 0.00 0.00 36.38 34.56 1mg5 s VAL 180 CO 0.20 0.45 0.14 0.20 -0.31 0.00 0.00 175.10 175.79 1mg5 s ASN 181 N 1.35 4.64 0.59 4.85 0.01 0.18 -0.42 114.94 126.15 1mg5 s ASN 181 Ca 0.04 -2.47 -0.18 0.00 -0.71 0.00 0.00 52.86 49.54 1mg5 s ASN 181 Cb -0.14 -1.65 -0.04 0.00 0.41 0.00 0.00 41.25 39.84 1mg5 s ASN 181 CO -0.05 -0.33 1.16 -2.84 -1.51 0.00 0.00 177.10 173.54 1mg5 s PRO 182 N 0.47 3.06 0.00 -0.60 0.02 -1.26 -1.23 135.00 135.46 1mg5 s PRO 182 Ca 0.13 1.69 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1mg5 s PRO 182 Cb -0.22 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.35 1mg5 s PRO 182 CO -0.05 -1.10 0.00 0.41 -0.33 0.00 0.00 177.00 175.93 1mg5 n GLY 183 N 0.24 -0.57 3.69 0.52 0.00 0.20 -1.95 105.19 107.32 1mg5 n GLY 183 Ca 0.12 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1mg5 n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mg5 s ILE 184 N -0.63 3.07 -0.01 -0.61 -1.09 -1.26 -4.93 121.20 115.74 1mg5 s ILE 184 Ca 0.00 0.51 0.07 0.00 -2.23 0.00 0.00 60.65 59.00 1mg5 s ILE 184 Cb 0.00 -3.33 -0.02 0.00 -1.58 0.00 0.00 42.46 37.53 1mg5 s ILE 184 CO 0.00 -0.00 -0.22 -0.89 -1.23 0.00 0.00 174.94 172.59 1mg5 s THR 185 N 2.69 1.77 -1.01 2.92 2.01 -1.26 -1.58 115.64 121.17 1mg5 s THR 185 Ca 0.74 -1.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 1mg5 s THR 185 Cb -0.39 -1.48 0.04 0.00 0.01 0.00 0.00 72.50 70.68 1mg5 s THR 185 CO 0.32 0.45 1.49 -0.13 -0.69 0.00 0.00 174.62 176.06 1mg5 s ARG 186 N -0.65 3.51 0.34 4.92 0.52 -0.14 -4.75 118.95 122.71 1mg5 s ARG 186 Ca 0.09 -1.06 0.05 0.00 -0.52 0.00 0.00 55.73 54.28 1mg5 s ARG 186 Cb -0.09 -5.34 -0.03 0.00 0.52 0.00 0.00 34.95 30.01 1mg5 s ARG 186 CO -0.00 -2.30 0.20 0.95 0.02 0.00 0.00 175.30 174.16 1mg5 s THR 187 N 5.37 0.26 -0.60 0.02 -4.23 -1.26 -4.26 115.64 110.94 1mg5 s THR 187 Ca 0.48 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.22 1mg5 s THR 187 Cb -0.00 -2.45 0.24 0.00 1.34 0.00 0.00 72.50 71.62 1mg5 s THR 187 CO -0.09 0.00 1.70 0.35 -0.54 0.00 0.00 174.62 176.04 1mg5 n THR 188 N -0.69 0.78 -0.28 3.99 -2.24 -1.26 -2.90 114.28 111.69 1mg5 n THR 188 Ca 0.01 0.14 0.07 0.00 -2.27 0.00 0.00 64.05 62.01 1mg5 n THR 188 Cb 0.64 -1.03 0.30 0.00 -2.10 0.00 0.00 70.33 68.15 1mg5 n THR 188 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1mg5 h LEU 189 N 0.00 0.79 -1.77 3.22 5.85 -1.92 -3.18 115.31 118.30 1mg5 h LEU 189 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1mg5 h LEU 189 Cb 0.42 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1mg5 h LEU 189 CO 0.00 0.47 0.00 1.33 -0.34 0.00 0.00 178.44 179.90 1mg5 n VAL 190 N -4.53 0.14 0.09 1.05 0.24 -1.14 -4.53 118.33 109.66 1mg5 n VAL 190 Ca 0.15 -0.57 -0.01 0.00 -2.04 0.00 0.00 64.34 61.86 1mg5 n VAL 190 Cb 0.31 1.20 0.25 0.00 -1.47 0.00 0.00 33.84 34.13 1mg5 n VAL 190 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1mg5 h HIS 191 N 2.98 0.30 -2.04 6.34 3.86 -1.64 -3.44 115.15 121.50 1mg5 h HIS 191 Ca 0.00 -0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1mg5 h HIS 191 Cb 0.66 -0.07 -0.21 0.00 1.06 0.00 0.00 27.41 28.85 1mg5 h HIS 191 CO 0.05 0.58 -0.09 0.21 0.86 0.00 0.00 177.93 179.54 1mg5 s LYS 192 N -4.28 0.62 0.17 2.45 2.20 -1.26 -4.77 119.74 114.86 1mg5 s LYS 192 Ca -0.05 1.33 -0.22 0.00 -0.36 0.00 0.00 55.97 56.67 1mg5 s LYS 192 Cb 0.14 0.53 0.06 0.00 -1.51 0.00 0.00 37.83 37.05 1mg5 s LYS 192 CO 0.77 -0.18 0.59 -0.59 -0.36 0.00 0.00 175.35 175.57 1mg5 s PHE 193 N 2.34 -0.44 -0.12 4.03 -0.12 -1.26 -4.94 117.98 117.46 1mg5 s PHE 193 Ca -0.08 0.18 -0.14 0.00 -0.05 0.00 0.00 56.93 56.84 1mg5 s PHE 193 Cb -0.09 0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 1mg5 s PHE 193 CO -0.19 -0.88 0.34 -0.80 -0.05 0.00 0.00 175.22 173.63 1mg5 s ASN 194 N -2.78 6.54 0.41 1.98 0.01 -1.26 -4.64 114.94 115.19 1mg5 s ASN 194 Ca 0.03 0.64 -0.07 0.00 -0.71 0.00 0.00 52.86 52.75 1mg5 s ASN 194 Cb -0.01 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 1mg5 s ASN 194 CO -0.10 0.14 0.72 -0.94 -1.51 0.00 0.00 177.10 175.41 1mg5 s SER 195 N 0.16 6.40 0.08 -1.22 1.04 -1.26 -1.76 113.70 117.14 1mg5 s SER 195 Ca 0.19 0.94 -0.31 0.00 0.48 0.00 0.00 55.95 57.26 1mg5 s SER 195 Cb -0.14 -2.25 -0.08 0.00 0.10 0.00 0.00 66.02 63.65 1mg5 s SER 195 CO 0.07 -0.42 1.63 0.86 0.98 0.00 0.00 173.24 176.35 1mg5 s TRP 196 N -2.45 2.54 -1.23 5.02 -0.00 -0.99 -1.94 118.94 119.89 1mg5 s TRP 196 Ca 0.48 0.39 -0.04 0.00 -0.00 0.00 0.00 56.10 56.92 1mg5 s TRP 196 Cb -0.10 -3.94 0.03 0.00 -0.00 0.00 0.00 33.47 29.45 1mg5 s TRP 196 CO 0.36 -3.73 0.29 1.28 -0.00 0.00 0.00 176.95 175.15 1mg5 n LEU 197 N 5.35 -1.53 -4.30 5.86 4.77 -1.26 -1.47 117.00 124.41 1mg5 n LEU 197 Ca 0.15 -0.11 -0.36 0.00 -0.03 0.00 0.00 56.01 55.66 1mg5 n LEU 197 Cb 0.40 -2.26 -0.06 0.00 -2.33 0.00 0.00 43.42 39.18 1mg5 n LEU 197 CO 0.62 0.04 -0.19 0.47 -1.33 0.00 0.00 177.39 177.00 1mg5 n ASP 198 N -2.11 -1.51 0.22 -1.43 8.00 -0.82 -4.83 116.55 114.07 1mg5 n ASP 198 Ca -0.09 -1.14 0.06 0.00 0.71 0.00 0.00 54.79 54.33 1mg5 n ASP 198 Cb 0.58 -2.22 0.51 0.00 -0.02 0.00 0.00 41.12 39.97 1mg5 n ASP 198 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1mg5 h VAL 199 N -1.43 1.09 -2.40 2.53 -1.51 -1.48 -3.35 116.25 109.72 1mg5 h VAL 199 Ca -0.61 -0.70 -0.54 0.00 -1.23 0.00 0.00 66.70 63.62 1mg5 h VAL 199 Cb 1.39 1.38 -0.37 0.00 -2.13 0.00 0.00 31.29 31.56 1mg5 h VAL 199 CO 0.78 0.20 -0.83 -0.70 -1.23 0.00 0.00 177.57 175.78 1mg5 s GLU 200 N -4.54 0.63 0.57 5.19 2.56 -1.26 -5.01 118.70 116.84 1mg5 s GLU 200 Ca -0.04 -1.36 0.32 0.00 0.00 0.00 0.00 54.97 53.89 1mg5 s GLU 200 Cb 0.15 -1.18 1.71 0.00 2.00 0.00 0.00 34.13 36.80 1mg5 s GLU 200 CO 0.69 -1.24 2.16 -1.35 -0.56 0.00 0.00 175.26 174.96 1mg5 h PRO 201 N 6.76 0.00 -0.84 4.30 0.11 -1.97 -1.79 132.00 138.58 1mg5 h PRO 201 Ca 0.09 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.73 1mg5 h PRO 201 Cb 0.98 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.82 1mg5 h PRO 201 CO 0.26 0.06 0.46 1.04 -0.21 0.00 0.00 178.00 179.61 1mg5 n GLN 202 N -3.50 2.29 -0.32 1.05 3.00 -1.26 -4.71 117.38 113.92 1mg5 n GLN 202 Ca -0.02 -3.16 0.01 0.00 -0.01 0.00 0.00 57.00 53.83 1mg5 n GLN 202 Cb 0.18 -2.12 0.19 0.00 0.00 0.00 0.00 30.24 28.49 1mg5 n GLN 202 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 1mg5 h VAL 203 N 1.05 1.15 -0.30 5.09 3.04 -1.63 -0.00 116.25 124.65 1mg5 h VAL 203 Ca 0.53 -0.40 -0.07 0.00 -1.01 0.00 0.00 66.70 65.75 1mg5 h VAL 203 Cb 2.16 -0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1mg5 h VAL 203 CO 1.01 0.21 -0.09 0.00 -1.01 0.00 0.00 177.57 177.69 1mg5 h ALA 204 N 1.46 0.42 -0.64 3.17 0.00 -1.84 -0.37 119.26 121.46 1mg5 h ALA 204 Ca 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1mg5 h ALA 204 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1mg5 h ALA 204 CO -0.12 0.26 0.31 0.93 0.00 0.00 0.00 179.25 180.64 1mg5 h GLU 205 N 0.36 0.92 -0.41 0.00 3.07 -1.75 -0.21 114.58 116.57 1mg5 h GLU 205 Ca 0.07 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 1mg5 h GLU 205 Cb 0.59 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1mg5 h GLU 205 CO 0.03 0.73 -0.01 0.87 -1.40 0.00 0.00 179.01 179.23 1mg5 h LYS 206 N 0.88 0.73 -0.65 2.33 1.57 -0.87 -2.92 116.57 117.64 1mg5 h LYS 206 Ca 0.22 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1mg5 h LYS 206 Cb 0.11 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1mg5 h LYS 206 CO -0.03 0.82 0.09 1.25 -0.57 0.00 0.00 179.45 181.01 1mg5 h LEU 207 N 0.56 1.03 -0.06 2.94 5.85 -0.78 -2.78 115.31 122.07 1mg5 h LEU 207 Ca 0.11 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1mg5 h LEU 207 Cb 0.50 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1mg5 h LEU 207 CO 0.02 1.03 0.00 0.18 -0.34 0.00 0.00 178.44 179.34 1mg5 n LEU 208 N -4.21 0.09 0.26 2.25 4.32 -0.12 -1.47 117.00 118.12 1mg5 n LEU 208 Ca 0.04 0.52 0.15 0.00 -0.02 0.00 0.00 56.01 56.70 1mg5 n LEU 208 Cb 0.30 -0.50 0.53 0.00 -1.62 0.00 0.00 43.42 42.13 1mg5 n LEU 208 CO 0.43 -0.20 0.92 0.00 -1.22 0.00 0.00 177.39 177.32 1mg5 h ALA 209 N 2.63 1.00 -1.80 -1.18 0.00 -1.29 -3.45 119.26 115.16 1mg5 h ALA 209 Ca 0.00 -0.03 -0.44 0.00 0.00 0.00 0.00 54.91 54.44 1mg5 h ALA 209 Cb 0.35 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1mg5 h ALA 209 CO 0.00 0.05 -0.24 -1.01 0.00 0.00 0.00 179.25 178.05 1mg5 s HIS 210 N -3.55 3.06 0.38 0.00 3.76 -0.54 -5.03 115.29 113.36 1mg5 s HIS 210 Ca 0.02 -0.13 -0.27 0.00 -0.15 0.00 0.00 55.06 54.54 1mg5 s HIS 210 Cb 0.08 -2.21 -0.11 0.00 1.11 0.00 0.00 32.58 31.45 1mg5 s HIS 210 CO 0.59 -0.25 1.35 -2.30 -0.85 0.00 0.00 174.74 173.28 1mg5 n PRO 211 N -1.85 2.24 -4.28 8.40 -0.02 -1.26 -5.02 135.00 133.20 1mg5 n PRO 211 Ca 0.02 0.79 -0.15 0.00 -2.02 0.00 0.00 63.50 62.14 1mg5 n PRO 211 Cb 0.58 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 1mg5 n PRO 211 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1mg5 s THR 212 N -1.13 0.77 0.20 3.45 -4.23 -1.26 -4.69 115.64 108.74 1mg5 s THR 212 Ca 0.57 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.17 1mg5 s THR 212 Cb -0.52 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 1mg5 s THR 212 CO 0.61 -0.35 -0.19 0.00 -0.54 0.00 0.00 174.62 174.15 1mg5 s GLN 213 N -3.92 1.40 0.66 3.99 -2.07 -0.61 -4.86 119.66 114.25 1mg5 s GLN 213 Ca 0.28 -1.52 -0.15 0.00 -1.82 0.00 0.00 55.36 52.15 1mg5 s GLN 213 Cb 0.06 -1.48 0.00 0.00 -1.09 0.00 0.00 33.01 30.50 1mg5 s GLN 213 CO 0.07 0.30 1.12 -1.25 -1.32 0.00 0.00 175.29 174.21 1mg5 s PRO 214 N -3.01 2.74 0.43 9.60 0.04 -1.26 -0.96 135.00 142.58 1mg5 s PRO 214 Ca 0.20 1.44 0.20 0.00 0.04 0.00 0.00 61.00 62.88 1mg5 s PRO 214 Cb -0.05 -1.94 0.97 0.00 0.04 0.00 0.00 34.50 33.52 1mg5 s PRO 214 CO 0.09 -1.30 1.89 0.66 0.04 0.00 0.00 177.00 178.37 1mg5 h SER 215 N 0.02 0.00 -0.61 6.66 4.64 -1.92 -2.60 113.55 119.75 1mg5 h SER 215 Ca -0.47 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 1mg5 h SER 215 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1mg5 h SER 215 CO 0.54 0.27 0.03 0.25 -0.87 0.00 0.00 176.83 177.05 1mg5 h LEU 216 N 0.00 1.02 -0.71 5.97 7.12 -1.91 0.07 115.31 126.87 1mg5 h LEU 216 Ca -0.00 -0.29 -0.10 0.00 0.13 0.00 0.00 57.88 57.61 1mg5 h LEU 216 Cb 0.61 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.45 1mg5 h LEU 216 CO 0.04 1.06 -0.13 0.00 -0.13 0.00 0.00 178.44 179.28 1mg5 h ALA 217 N 1.00 0.90 -0.52 1.25 0.00 -1.88 -0.85 119.26 119.15 1mg5 h ALA 217 Ca 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1mg5 h ALA 217 Cb 0.52 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1mg5 h ALA 217 CO 0.02 0.63 0.31 0.00 0.00 0.00 0.00 179.25 180.22 1mg5 h ALA 219 N 1.15 1.19 -0.29 0.00 0.00 -0.59 0.17 119.26 120.89 1mg5 h ALA 219 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mg5 h ALA 219 Cb -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1mg5 h ALA 219 CO -0.03 0.57 0.15 0.93 0.00 0.00 0.00 179.25 180.87 1mg5 h GLU 220 N 0.90 0.41 0.00 0.00 5.08 -0.70 -1.69 114.58 118.58 1mg5 h GLU 220 Ca 0.20 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1mg5 h GLU 220 Cb 0.25 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1mg5 h GLU 220 CO -0.01 0.38 -0.38 -0.91 -1.00 0.00 0.00 179.01 177.08 1mg5 h ASN 221 N 0.35 0.00 -0.17 1.42 2.35 -0.78 -1.83 115.58 116.92 1mg5 h ASN 221 Ca 0.10 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1mg5 h ASN 221 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1mg5 h ASN 221 CO -0.01 0.38 0.01 0.15 -1.65 0.00 0.00 177.43 176.31 1mg5 h PHE 222 N 0.00 0.31 -0.33 1.19 3.04 -0.32 -0.81 116.94 120.02 1mg5 h PHE 222 Ca -0.00 -0.05 -0.11 0.00 3.98 0.00 0.00 57.97 61.79 1mg5 h PHE 222 Cb 0.84 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.26 1mg5 h PHE 222 CO 0.00 0.47 -0.26 0.28 -2.02 0.00 0.00 178.31 176.79 1mg5 h VAL 223 N 0.05 1.27 -0.74 1.41 2.07 -1.22 -1.21 116.25 117.89 1mg5 h VAL 223 Ca 0.05 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1mg5 h VAL 223 Cb 0.34 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1mg5 h VAL 223 CO 0.01 0.44 0.49 0.50 0.02 0.00 0.00 177.57 179.02 1mg5 h LYS 224 N 0.57 0.98 -0.62 1.57 3.64 -1.17 -0.90 116.57 120.62 1mg5 h LYS 224 Ca 0.08 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1mg5 h LYS 224 Cb 0.73 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1mg5 h LYS 224 CO 0.06 0.65 0.23 0.00 -2.27 0.00 0.00 179.45 178.12 1mg5 h ALA 225 N 1.27 0.81 -0.38 5.00 0.00 -0.79 -1.05 119.26 124.12 1mg5 h ALA 225 Ca 0.27 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1mg5 h ALA 225 Cb -0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1mg5 h ALA 225 CO -0.06 0.45 0.24 0.82 0.00 0.00 0.00 179.25 180.69 1mg5 h ILE 226 N 0.88 1.06 -0.02 0.00 2.04 -0.72 -2.49 117.51 118.26 1mg5 h ILE 226 Ca 0.21 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 1mg5 h ILE 226 Cb 0.23 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1mg5 h ILE 226 CO -0.01 0.09 -0.20 -0.33 0.00 0.00 0.00 178.15 177.69 1mg5 h GLU 227 N 0.48 0.04 0.00 2.37 5.08 -0.84 -1.46 114.58 120.25 1mg5 h GLU 227 Ca 0.15 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1mg5 h GLU 227 Cb -0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1mg5 h GLU 227 CO -0.06 0.24 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.81 1mg5 h LEU 228 N 0.04 0.00 -3.24 1.33 3.38 -0.82 -3.45 115.31 112.55 1mg5 h LEU 228 Ca 0.01 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.46 1mg5 h LEU 228 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1mg5 h LEU 228 CO 0.03 0.31 -0.96 -3.20 0.09 0.00 0.00 178.44 174.70 1mg5 n ASN 229 N -4.09 -3.78 -4.37 -0.43 4.05 -0.55 -4.92 115.26 101.18 1mg5 n ASN 229 Ca -0.02 -1.14 -0.42 0.00 0.45 0.00 0.00 54.58 53.45 1mg5 n ASN 229 Cb 0.36 -2.56 -0.10 0.00 1.23 0.00 0.00 39.78 38.71 1mg5 n ASN 229 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1mg5 s GLN 230 N -6.71 2.84 0.16 1.20 -0.21 -1.26 -5.05 119.66 110.62 1mg5 s GLN 230 Ca 0.39 -1.23 -0.32 0.00 0.02 0.00 0.00 55.36 54.22 1mg5 s GLN 230 Cb -0.18 -3.89 -0.12 0.00 1.00 0.00 0.00 33.01 29.82 1mg5 s GLN 230 CO 0.92 -0.85 1.74 -1.71 -2.12 0.00 0.00 175.29 173.26 1mg5 n ASN 231 N 5.06 3.79 0.00 5.90 5.15 -1.26 -1.77 115.26 132.14 1mg5 n ASN 231 Ca -0.11 1.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.90 1mg5 n ASN 231 Cb 0.45 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.17 1mg5 n ASN 231 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mg5 n GLY 232 N 3.95 0.86 3.76 8.20 0.00 0.65 -4.97 105.19 117.64 1mg5 n GLY 232 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1mg5 n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg5 s ALA 233 N -3.23 2.65 -0.51 4.61 0.00 -0.73 -4.94 121.76 119.60 1mg5 s ALA 233 Ca 0.00 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.02 1mg5 s ALA 233 Cb 0.00 -3.45 0.13 0.00 0.00 0.00 0.00 23.12 19.80 1mg5 s ALA 233 CO 0.00 -1.09 0.26 0.42 0.00 0.00 0.00 175.76 175.35 1mg5 s ILE 234 N -1.56 2.45 0.10 0.00 1.01 -1.26 -2.59 121.20 119.35 1mg5 s ILE 234 Ca 0.75 -3.25 -0.26 0.00 0.00 0.00 0.00 60.65 57.88 1mg5 s ILE 234 Cb -0.31 -2.70 -0.06 0.00 0.01 0.00 0.00 42.46 39.40 1mg5 s ILE 234 CO 0.34 -0.82 0.82 0.26 0.00 0.00 0.00 174.94 175.54 1mg5 s TRP 235 N -0.24 3.81 -0.24 3.97 0.52 -0.61 -0.69 118.94 125.46 1mg5 s TRP 235 Ca 0.17 1.60 -0.04 0.00 0.02 0.00 0.00 56.10 57.85 1mg5 s TRP 235 Cb -0.25 -2.86 -0.00 0.00 -1.15 0.00 0.00 33.47 29.20 1mg5 s TRP 235 CO -0.00 0.33 -0.02 0.21 0.02 0.00 0.00 176.95 177.49 1mg5 s LYS 236 N -0.37 3.30 -0.74 4.98 2.20 0.17 0.52 119.74 129.79 1mg5 s LYS 236 Ca 0.40 -0.68 -0.04 0.00 -0.36 0.00 0.00 55.97 55.29 1mg5 s LYS 236 Cb -0.22 -3.09 0.19 0.00 -1.51 0.00 0.00 37.83 33.20 1mg5 s LYS 236 CO 0.26 -0.25 0.59 -0.51 -0.36 0.00 0.00 175.35 175.07 1mg5 s LEU 237 N 1.48 5.52 0.00 5.43 1.43 -0.36 -1.51 118.68 130.66 1mg5 s LEU 237 Ca 0.05 -3.13 0.02 0.00 -1.03 0.00 0.00 54.13 50.04 1mg5 s LEU 237 Cb -0.15 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 1mg5 s LEU 237 CO -0.02 -0.33 -0.06 -0.62 0.23 0.00 0.00 176.35 175.55 1mg5 s ASP 238 N 0.58 0.72 -1.43 2.29 2.15 -0.95 -0.63 116.67 119.40 1mg5 s ASP 238 Ca 0.21 -0.16 -0.08 0.00 0.43 0.00 0.00 52.55 52.95 1mg5 s ASP 238 Cb -0.15 -0.06 0.04 0.00 -0.30 0.00 0.00 42.92 42.45 1mg5 s ASP 238 CO -0.07 0.04 0.62 0.18 -0.17 0.00 0.00 175.17 175.78 1mg5 n LEU 239 N 2.75 -2.24 0.00 -1.34 4.77 -1.26 -2.03 117.00 117.65 1mg5 n LEU 239 Ca -0.14 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1mg5 n LEU 239 Cb 0.58 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.08 1mg5 n LEU 239 CO 0.25 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1mg5 n GLY 240 N -1.42 0.68 3.53 -0.72 0.00 -1.26 -5.02 105.19 100.97 1mg5 n GLY 240 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1mg5 n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mg5 s THR 241 N -2.50 1.30 -0.16 2.61 -4.23 -0.86 -4.94 115.64 106.85 1mg5 s THR 241 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1mg5 s THR 241 Cb 0.00 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1mg5 s THR 241 CO 0.00 0.00 -0.16 -0.22 -0.54 0.00 0.00 174.62 173.70 1mg5 s LEU 242 N -3.59 2.43 0.01 4.79 2.96 -1.26 -2.24 118.68 121.79 1mg5 s LEU 242 Ca 0.32 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1mg5 s LEU 242 Cb 0.08 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 1mg5 s LEU 242 CO 0.15 0.07 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.60 1mg5 s GLU 243 N 0.92 0.31 0.43 1.98 2.02 -0.57 -5.00 118.70 118.79 1mg5 s GLU 243 Ca -0.03 -0.35 -0.17 0.00 0.02 0.00 0.00 54.97 54.44 1mg5 s GLU 243 Cb -0.15 -0.18 -0.09 0.00 0.10 0.00 0.00 34.13 33.81 1mg5 s GLU 243 CO -0.02 0.04 0.89 0.00 0.02 0.00 0.00 175.26 176.18 1mg5 s ALA 244 N -0.63 3.16 -0.08 5.21 0.00 -1.26 0.41 121.76 128.57 1mg5 s ALA 244 Ca -0.05 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.07 1mg5 s ALA 244 Cb -0.05 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 1mg5 s ALA 244 CO -0.00 0.04 -0.04 0.42 0.00 0.00 0.00 175.76 176.19 1mg5 s ILE 245 N -2.30 3.98 -0.31 0.00 -1.09 0.13 -4.85 121.20 116.77 1mg5 s ILE 245 Ca 0.58 -0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 58.52 1mg5 s ILE 245 Cb -0.10 -2.65 -0.02 0.00 -1.58 0.00 0.00 42.46 38.11 1mg5 s ILE 245 CO 0.22 0.60 0.18 -1.10 -1.23 0.00 0.00 174.94 173.61 1mg5 s GLN 246 N -0.82 3.50 0.10 2.79 -1.52 -1.26 -4.49 119.66 117.97 1mg5 s GLN 246 Ca 0.12 -0.62 -0.30 0.00 -1.95 0.00 0.00 55.36 52.61 1mg5 s GLN 246 Cb -0.11 -3.63 -0.06 0.00 -0.22 0.00 0.00 33.01 28.99 1mg5 s GLN 246 CO 0.02 -0.37 1.05 -0.46 -0.25 0.00 0.00 175.29 175.27 1mg5 s TRP 247 N 1.67 3.65 0.23 0.91 -0.11 -1.26 -5.00 118.94 119.04 1mg5 s TRP 247 Ca 0.06 1.64 -0.30 0.00 1.22 0.00 0.00 56.10 58.71 1mg5 s TRP 247 Cb -0.17 -3.20 -0.09 0.00 -1.50 0.00 0.00 33.47 28.51 1mg5 s TRP 247 CO 0.08 -0.34 1.25 0.99 -4.62 0.00 0.00 176.95 174.31 1mg5 s THR 248 N 0.28 3.25 -0.92 5.86 2.01 -1.26 -4.96 115.64 119.90 1mg5 s THR 248 Ca 0.51 1.10 -0.18 0.00 0.31 0.00 0.00 61.69 63.43 1mg5 s THR 248 Cb -0.26 -3.70 0.15 0.00 0.01 0.00 0.00 72.50 68.70 1mg5 s THR 248 CO 0.31 0.20 1.08 -0.75 -0.69 0.00 0.00 174.62 174.77 1mg5 s LYS 249 N -0.68 3.62 0.12 4.92 2.20 -1.26 -4.80 119.74 123.86 1mg5 s LYS 249 Ca 0.52 -1.91 0.12 0.00 -0.36 0.00 0.00 55.97 54.34 1mg5 s LYS 249 Cb -0.35 -4.84 -0.13 0.00 -1.51 0.00 0.00 37.83 31.00 1mg5 s LYS 249 CO 0.41 -1.69 1.13 0.45 -0.36 0.00 0.00 175.35 175.29 1mg5 h HIS 250 N 8.61 0.00 -3.10 4.03 3.86 -2.05 -3.47 115.15 123.01 1mg5 h HIS 250 Ca 0.15 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.29 1mg5 h HIS 250 Cb 1.02 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.33 1mg5 h HIS 250 CO 1.14 0.80 -0.12 -0.46 0.86 0.00 0.00 177.93 180.15 1mg5 s TRP 251 N -2.79 -0.24 -0.05 2.45 -0.00 -1.26 -5.16 118.94 111.88 1mg5 s TRP 251 Ca 0.00 0.16 -0.02 0.00 -0.00 0.00 0.00 56.10 56.24 1mg5 s TRP 251 Cb 0.09 0.21 0.04 0.00 -0.00 0.00 0.00 33.47 33.80 1mg5 s TRP 251 CO 0.80 -0.58 0.12 0.34 -0.00 0.00 0.00 176.95 177.63 1mg5 s ASP 252 N -2.10 -0.04 0.49 5.86 -1.08 -1.26 -5.03 116.67 113.51 1mg5 s ASP 252 Ca -0.04 0.24 0.25 0.00 -0.52 0.00 0.00 52.55 52.47 1mg5 s ASP 252 Cb -0.00 0.12 1.24 0.00 -1.46 0.00 0.00 42.92 42.82 1mg5 s ASP 252 CO -0.04 -0.15 1.99 0.77 0.52 0.00 0.00 175.17 178.26 1mg5 h SER 253 N 7.30 0.00 0.00 -0.34 4.64 -2.05 -3.46 113.55 119.63 1mg5 h SER 253 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1mg5 h SER 253 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1mg5 h SER 253 CO 0.43 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 1mg5 n GLY 254 N -0.46 0.85 0.00 -0.77 0.00 -1.26 -5.37 105.19 98.19 1mg5 n GLY 254 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1mg5 n GLY 254 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61