#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg5 s PHE 2 N 0.00 3.58 0.03 1.43 5.36 -1.26 -5.05 117.98 122.07 1mg5 s PHE 2 Ca 0.00 1.73 -0.04 0.00 -0.96 0.00 0.00 56.93 57.66 1mg5 s PHE 2 Cb 0.00 -3.19 -0.01 0.00 -0.34 0.00 0.00 43.02 39.48 1mg5 s PHE 2 CO 0.00 -0.38 0.06 0.95 -1.46 0.00 0.00 175.22 174.39 1mg5 s THR 3 N -1.29 0.12 -1.29 0.12 -4.23 -1.26 -4.98 115.64 102.84 1mg5 s THR 3 Ca 0.47 -1.02 0.28 0.00 -1.18 0.00 0.00 61.69 60.24 1mg5 s THR 3 Cb -0.28 -0.67 0.32 0.00 1.34 0.00 0.00 72.50 73.21 1mg5 s THR 3 CO 0.36 -0.56 1.84 0.18 -0.54 0.00 0.00 174.62 175.90 1mg5 n LEU 4 N 1.09 0.24 -4.68 4.79 4.77 -1.26 -4.79 117.00 117.16 1mg5 n LEU 4 Ca -0.21 0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 1mg5 n LEU 4 Cb 0.57 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1mg5 n LEU 4 CO 0.22 0.05 1.51 0.41 -1.33 0.00 0.00 177.39 178.25 1mg5 n THR 5 N -1.28 0.48 -2.05 -5.08 -1.04 -1.26 -1.51 114.28 102.54 1mg5 n THR 5 Ca 0.10 -0.09 -0.18 0.00 -2.04 0.00 0.00 64.05 61.84 1mg5 n THR 5 Cb 0.30 -2.14 -0.03 0.00 -1.82 0.00 0.00 70.33 66.64 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 6.17 -5.28 -4.92 8.00 4.05 0.06 -4.91 115.26 118.44 1mg5 n ASN 6 Ca 0.19 0.15 -0.27 0.00 0.45 0.00 0.00 54.58 55.10 1mg5 n ASN 6 Cb 0.37 -4.36 -0.02 0.00 1.23 0.00 0.00 39.78 37.01 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 -4.42 3.57 -0.26 1.20 -0.14 -0.57 -4.22 119.74 114.90 1mg5 s LYS 7 Ca 0.00 -0.06 -0.06 0.00 -1.36 0.00 0.00 55.97 54.48 1mg5 s LYS 7 Cb 0.00 -2.61 -0.01 0.00 -1.68 0.00 0.00 37.83 33.54 1mg5 s LYS 7 CO 0.00 0.12 0.05 -0.80 -0.76 0.00 0.00 175.35 173.97 1mg5 s ASN 8 N -3.59 4.96 -0.06 2.83 0.01 -1.26 -0.94 114.94 116.89 1mg5 s ASN 8 Ca 0.43 -0.48 0.05 0.00 -0.71 0.00 0.00 52.86 52.15 1mg5 s ASN 8 Cb -0.10 -1.86 -0.02 0.00 0.41 0.00 0.00 41.25 39.68 1mg5 s ASN 8 CO 0.34 -0.10 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.92 1mg5 s VAL 9 N 1.53 2.41 -0.18 1.60 1.01 -0.43 -0.34 120.40 126.01 1mg5 s VAL 9 Ca 0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1mg5 s VAL 9 Cb -0.16 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1mg5 s VAL 9 CO 0.02 0.57 0.01 -0.63 0.00 0.00 0.00 175.10 175.07 1mg5 s ILE 10 N -0.32 4.22 -0.32 2.22 1.01 -0.23 -0.89 121.20 126.89 1mg5 s ILE 10 Ca 0.02 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.47 1mg5 s ILE 10 Cb -0.13 -2.89 0.09 0.00 0.01 0.00 0.00 42.46 39.55 1mg5 s ILE 10 CO 0.02 0.46 0.03 0.12 0.00 0.00 0.00 174.94 175.57 1mg5 s PHE 11 N 0.60 3.40 -0.10 3.97 2.19 0.11 -0.41 117.98 127.74 1mg5 s PHE 11 Ca 0.00 -2.72 -0.30 0.00 0.33 0.00 0.00 56.93 54.24 1mg5 s PHE 11 Cb -0.14 -2.61 -0.02 0.00 -1.31 0.00 0.00 43.02 38.94 1mg5 s PHE 11 CO 0.02 -0.93 1.13 0.08 1.83 0.00 0.00 175.22 177.35 1mg5 s VAL 12 N 1.03 4.47 -0.40 3.12 1.01 0.16 -1.78 120.40 128.01 1mg5 s VAL 12 Ca 0.08 1.77 -0.02 0.00 0.00 0.00 0.00 61.98 63.81 1mg5 s VAL 12 Cb -0.19 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1mg5 s VAL 12 CO -0.10 -0.03 0.35 0.00 0.00 0.00 0.00 175.10 175.32 1mg5 n ALA 13 N 5.36 -0.49 1.89 5.51 0.00 0.71 -0.78 120.51 132.70 1mg5 n ALA 13 Ca 0.11 0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.77 1mg5 n ALA 13 Cb 0.47 -1.70 0.86 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.00 -0.80 0.30 0.00 0.00 -1.21 -3.83 105.19 98.66 1mg5 n GLY 14 Ca -0.03 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.76 1.46 0.00 0.99 4.77 -1.26 -2.02 117.00 120.18 1mg5 n LEU 15 Ca 0.23 -0.85 -0.08 0.00 -0.03 0.00 0.00 56.01 55.27 1mg5 n LEU 15 Cb 0.16 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.32 1mg5 n LEU 15 CO 0.18 0.29 0.19 0.61 -1.33 0.00 0.00 177.39 177.32 1mg5 n GLY 16 N 0.78 -2.15 0.32 -0.72 0.00 -1.25 -4.36 105.19 97.80 1mg5 n GLY 16 Ca 0.05 -1.53 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.93 -0.66 1.32 -0.02 0.00 -1.96 0.21 103.07 101.03 1mg5 h GLY 17 Ca -0.11 0.33 -0.23 0.00 0.00 0.00 0.00 47.33 47.32 1mg5 h GLY 17 CO 0.08 -0.26 -0.89 -2.22 0.00 0.00 0.00 176.54 173.25 1mg5 h ILE 18 N -0.61 1.31 0.28 2.60 2.04 -1.93 -3.24 117.51 117.96 1mg5 h ILE 18 Ca -0.01 -2.17 0.00 0.00 1.00 0.00 0.00 64.86 63.68 1mg5 h ILE 18 Cb 0.56 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 1mg5 h ILE 18 CO -0.06 0.67 -0.29 1.23 0.00 0.00 0.00 178.15 179.69 1mg5 h GLY 19 N 0.73 -0.66 1.01 5.37 0.00 -1.70 -0.23 103.07 107.59 1mg5 h GLY 19 Ca -0.08 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1mg5 h GLY 19 CO 0.17 -0.26 0.57 -2.00 0.00 0.00 0.00 176.54 175.02 1mg5 h LEU 20 N -0.61 1.03 -0.92 3.11 5.85 0.03 0.23 115.31 124.03 1mg5 h LEU 20 Ca -0.01 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 1mg5 h LEU 20 Cb 0.56 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1mg5 h LEU 20 CO -0.07 0.76 -0.14 0.44 -0.34 0.00 0.00 178.44 179.09 1mg5 h ASP 21 N 1.20 0.62 -0.08 1.25 3.32 -1.54 -0.42 116.42 120.78 1mg5 h ASP 21 Ca 0.32 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 1mg5 h ASP 21 Cb -0.11 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1mg5 h ASP 21 CO -0.07 0.79 -0.39 0.74 -1.72 0.00 0.00 179.24 178.59 1mg5 h THR 22 N 0.57 1.30 -0.49 0.35 2.02 -0.42 -0.92 112.91 115.32 1mg5 h THR 22 Ca 0.10 -1.55 -0.05 0.00 0.77 0.00 0.00 66.41 65.68 1mg5 h THR 22 Cb 0.58 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1mg5 h THR 22 CO 0.04 0.49 0.11 0.28 0.37 0.00 0.00 175.52 176.81 1mg5 h SER 23 N 0.49 0.75 -0.76 4.18 0.02 -0.17 0.11 113.55 118.16 1mg5 h SER 23 Ca 0.04 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 1mg5 h SER 23 Cb 0.89 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 1mg5 h SER 23 CO 0.08 0.79 0.30 0.11 -1.14 0.00 0.00 176.83 176.97 1mg5 h LYS 24 N 0.67 1.14 -0.44 3.45 1.57 -0.84 -1.80 116.57 120.32 1mg5 h LYS 24 Ca 0.15 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1mg5 h LYS 24 Cb 0.35 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1mg5 h LYS 24 CO 0.00 0.93 -0.17 1.49 -0.57 0.00 0.00 179.45 181.13 1mg5 h GLU 25 N 1.12 0.89 -0.90 3.15 4.57 -0.66 -2.93 114.58 119.82 1mg5 h GLU 25 Ca 0.26 -0.37 0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1mg5 h GLU 25 Cb 0.22 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 1mg5 h GLU 25 CO -0.02 1.02 0.59 -0.07 -1.18 0.00 0.00 179.01 179.35 1mg5 h LEU 26 N 0.72 1.02 0.00 1.64 3.38 -0.51 -2.26 115.31 119.29 1mg5 h LEU 26 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1mg5 h LEU 26 Cb 0.73 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1mg5 h LEU 26 CO 0.06 0.73 0.00 0.18 0.09 0.00 0.00 178.44 179.49 1mg5 n LEU 27 N -4.41 0.00 0.23 1.67 4.77 -0.70 -1.32 117.00 117.23 1mg5 n LEU 27 Ca 0.11 0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 1mg5 n LEU 27 Cb 0.04 -0.01 0.38 0.00 -2.33 0.00 0.00 43.42 41.50 1mg5 n LEU 27 CO 0.36 -0.00 0.81 0.11 -1.33 0.00 0.00 177.39 177.34 1mg5 h LYS 28 N 0.00 0.00 -6.30 3.23 1.57 -1.41 -3.40 116.57 110.25 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 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1mg5 h LYS 28 CO 0.00 0.14 -0.30 1.03 -0.57 0.00 0.00 179.45 179.74 1mg5 s ARG 29 N -3.43 3.51 -1.36 3.15 3.00 -0.44 -5.01 118.95 118.37 1mg5 s ARG 29 Ca 0.03 -0.38 -0.10 0.00 0.00 0.00 0.00 55.73 55.28 1mg5 s ARG 29 Cb 0.08 -2.79 0.11 0.00 0.00 0.00 0.00 34.95 32.34 1mg5 s ARG 29 CO 0.64 0.33 2.15 -0.25 0.00 0.00 0.00 175.30 178.17 1mg5 n ASP 30 N -1.06 5.74 -4.64 0.23 10.43 -1.26 -4.96 116.55 121.03 1mg5 n ASP 30 Ca -0.05 -3.01 -0.30 0.00 2.57 0.00 0.00 54.79 54.00 1mg5 n ASP 30 Cb 0.55 -1.50 0.18 0.00 1.84 0.00 0.00 41.12 42.19 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 -0.01 2.26 -0.16 0.64 1.43 -1.26 -0.76 118.68 120.83 1mg5 s LEU 31 Ca 0.47 1.90 -0.23 0.00 -1.03 0.00 0.00 54.13 55.24 1mg5 s LEU 31 Cb 0.13 -4.19 -0.20 0.00 0.03 0.00 0.00 46.19 41.96 1mg5 s LEU 31 CO -0.04 -3.24 0.46 0.50 0.23 0.00 0.00 176.35 174.25 1mg5 h LYS 32 N -1.97 0.00 -4.14 1.70 3.64 -1.21 -3.37 116.57 111.22 1mg5 h LYS 32 Ca -0.49 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.62 1mg5 h LYS 32 Cb 1.28 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.84 1mg5 h LYS 32 CO 0.46 0.86 -0.73 -0.80 -2.27 0.00 0.00 179.45 176.96 1mg5 s ASN 33 N -6.35 0.43 -0.25 4.20 0.01 -1.12 -1.53 114.94 110.33 1mg5 s ASN 33 Ca -0.20 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 51.76 1mg5 s ASN 33 Cb 0.01 -0.01 0.07 0.00 0.41 0.00 0.00 41.25 41.72 1mg5 s ASN 33 CO 0.57 -0.05 -0.03 -0.22 -1.51 0.00 0.00 177.10 175.86 1mg5 s LEU 34 N -0.51 2.74 -0.31 0.60 2.96 -0.56 -1.31 118.68 122.29 1mg5 s LEU 34 Ca -0.03 -1.30 -0.11 0.00 -0.22 0.00 0.00 54.13 52.47 1mg5 s LEU 34 Cb -0.04 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.43 1mg5 s LEU 34 CO -0.00 -0.26 0.18 -0.69 -1.32 0.00 0.00 176.35 174.26 1mg5 s VAL 35 N 1.37 4.98 -0.22 1.68 1.01 -0.07 -1.46 120.40 127.69 1mg5 s VAL 35 Ca -0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 1mg5 s VAL 35 Cb -0.19 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1mg5 s VAL 35 CO -0.08 0.11 0.13 -0.63 0.00 0.00 0.00 175.10 174.63 1mg5 s ILE 36 N 1.69 5.19 -0.18 2.22 1.01 0.11 -0.71 121.20 130.53 1mg5 s ILE 36 Ca 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 1mg5 s ILE 36 Cb -0.17 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1mg5 s ILE 36 CO 0.09 0.38 -0.10 -0.76 0.00 0.00 0.00 174.94 174.55 1mg5 s LEU 37 N 0.86 2.73 0.14 2.97 1.43 -0.73 -1.31 118.68 124.76 1mg5 s LEU 37 Ca 0.07 -0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 52.54 1mg5 s LEU 37 Cb -0.13 -1.66 0.07 0.00 0.03 0.00 0.00 46.19 44.50 1mg5 s LEU 37 CO 0.03 0.06 0.60 -0.62 0.23 0.00 0.00 176.35 176.64 1mg5 s ASP 38 N 1.00 -0.56 0.13 2.29 -1.08 -1.08 -0.21 116.67 117.16 1mg5 s ASP 38 Ca -0.01 0.05 0.24 0.00 -0.52 0.00 0.00 52.55 52.31 1mg5 s ASP 38 Cb -0.15 0.59 0.31 0.00 -1.46 0.00 0.00 42.92 42.22 1mg5 s ASP 38 CO -0.01 -0.93 1.30 0.08 0.52 0.00 0.00 175.17 176.13 1mg5 h ARG 39 N 2.11 0.00 -6.41 4.34 0.11 -1.75 -0.29 114.38 112.49 1mg5 h ARG 39 Ca -0.33 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.20 1mg5 h ARG 39 Cb 1.29 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 1mg5 h ARG 39 CO 0.38 0.00 0.67 0.42 0.10 0.00 0.00 179.97 181.54 1mg5 s ILE 40 N -3.18 4.02 -0.35 0.08 1.01 -1.26 -4.92 121.20 116.59 1mg5 s ILE 40 Ca 0.06 1.41 -0.02 0.00 0.00 0.00 0.00 60.65 62.10 1mg5 s ILE 40 Cb 0.13 -3.91 0.08 0.00 0.01 0.00 0.00 42.46 38.78 1mg5 s ILE 40 CO 0.73 0.05 0.10 -1.61 0.00 0.00 0.00 174.94 174.20 1mg5 s GLU 41 N 1.71 2.15 -0.42 2.79 2.02 -1.26 -4.99 118.70 120.71 1mg5 s GLU 41 Ca 0.59 -1.57 0.02 0.00 0.02 0.00 0.00 54.97 54.03 1mg5 s GLU 41 Cb -0.28 -3.37 0.14 0.00 0.10 0.00 0.00 34.13 30.72 1mg5 s GLU 41 CO 0.26 -0.85 0.25 1.21 0.02 0.00 0.00 175.26 176.15 1mg5 s ASN 42 N 1.47 3.27 0.46 -0.19 3.84 -1.26 -4.99 114.94 117.54 1mg5 s ASN 42 Ca 0.02 -2.57 0.16 0.00 0.21 0.00 0.00 52.86 50.69 1mg5 s ASN 42 Cb -0.21 -0.79 1.11 0.00 -0.55 0.00 0.00 41.25 40.81 1mg5 s ASN 42 CO -0.03 -0.27 1.98 -0.65 -2.79 0.00 0.00 177.10 175.35 1mg5 h PRO 43 N 6.68 0.30 -0.37 0.43 0.11 -1.99 -1.34 132.00 135.82 1mg5 h PRO 43 Ca 0.04 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.00 1mg5 h PRO 43 Cb 0.93 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1mg5 h PRO 43 CO 0.41 0.20 -0.32 0.00 -0.21 0.00 0.00 178.00 178.08 1mg5 h ALA 44 N 1.71 0.73 -0.65 -0.75 0.00 -1.99 -0.62 119.26 117.69 1mg5 h ALA 44 Ca 0.27 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1mg5 h ALA 44 Cb 0.64 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1mg5 h ALA 44 CO -0.06 0.66 0.22 0.00 0.00 0.00 0.00 179.25 180.06 1mg5 h ALA 45 N 0.94 0.85 -0.61 0.00 0.00 -1.70 -1.21 119.26 117.53 1mg5 h ALA 45 Ca 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1mg5 h ALA 45 Cb 0.87 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1mg5 h ALA 45 CO 0.08 0.51 0.37 0.82 0.00 0.00 0.00 179.25 181.03 1mg5 h ILE 46 N 0.93 1.18 -1.01 0.00 1.08 -1.23 0.60 117.51 119.07 1mg5 h ILE 46 Ca 0.21 -0.39 0.07 0.00 -0.39 0.00 0.00 64.86 64.36 1mg5 h ILE 46 Cb 0.27 0.33 -0.07 0.00 -3.07 0.00 0.00 36.82 34.29 1mg5 h ILE 46 CO -0.01 0.18 0.65 0.00 -0.69 0.00 0.00 178.15 178.28 1mg5 h ALA 47 N 1.19 1.42 -0.67 1.87 0.00 -0.82 -0.89 119.26 121.36 1mg5 h ALA 47 Ca 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1mg5 h ALA 47 Cb -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1mg5 h ALA 47 CO -0.04 0.42 0.12 0.93 0.00 0.00 0.00 179.25 180.68 1mg5 h GLU 48 N 1.16 1.11 -0.36 0.00 5.08 0.06 -2.64 114.58 118.99 1mg5 h GLU 48 Ca 0.44 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1mg5 h GLU 48 Cb 0.21 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1mg5 h GLU 48 CO -0.19 1.01 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.52 1mg5 h LEU 49 N 1.03 0.74 -1.70 1.33 3.38 -0.31 -2.82 115.31 116.96 1mg5 h LEU 49 Ca 0.21 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1mg5 h LEU 49 Cb 0.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1mg5 h LEU 49 CO 0.01 0.95 -0.18 0.11 0.09 0.00 0.00 178.44 179.42 1mg5 h LYS 50 N 0.63 0.00 0.00 1.13 1.57 -1.05 -2.65 116.57 116.20 1mg5 h LYS 50 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1mg5 h LYS 50 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1mg5 h LYS 50 CO 0.06 0.18 -0.05 0.00 -0.57 0.00 0.00 179.45 179.06 1mg5 n ALA 51 N -2.44 2.35 0.10 3.86 0.00 -1.01 -4.10 120.51 119.27 1mg5 n ALA 51 Ca -0.02 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1mg5 n ALA 51 Cb 0.25 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 1mg5 n ALA 51 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1mg5 h ILE 52 N 0.00 0.91 -3.31 0.00 2.04 -1.42 -3.43 117.51 112.30 1mg5 h ILE 52 Ca 0.00 -0.69 -0.52 0.00 1.00 0.00 0.00 64.86 64.64 1mg5 h ILE 52 Cb 0.71 1.31 -0.39 0.00 -0.74 0.00 0.00 36.82 37.70 1mg5 h ILE 52 CO 0.00 0.15 -0.77 0.21 0.00 0.00 0.00 178.15 177.74 1mg5 s ASN 53 N -5.26 2.82 0.61 1.72 3.84 -1.26 -5.01 114.94 112.41 1mg5 s ASN 53 Ca -0.14 -0.74 0.37 0.00 0.21 0.00 0.00 52.86 52.55 1mg5 s ASN 53 Cb 0.02 -0.68 2.00 0.00 -0.55 0.00 0.00 41.25 42.04 1mg5 s ASN 53 CO 0.59 -0.27 2.25 -0.65 -2.79 0.00 0.00 177.10 176.23 1mg5 h PRO 54 N 8.21 0.00 0.00 0.43 0.11 -1.83 -2.16 132.00 136.76 1mg5 h PRO 54 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1mg5 h PRO 54 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1mg5 h PRO 54 CO 0.34 0.02 0.00 1.63 -0.21 0.00 0.00 178.00 179.79 1mg5 n LYS 55 N -3.39 0.11 -4.31 1.05 5.02 -1.26 -4.79 118.16 110.60 1mg5 n LYS 55 Ca -0.02 0.13 -0.35 0.00 -2.02 0.00 0.00 58.31 56.05 1mg5 n LYS 55 Cb 0.13 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 1mg5 n LYS 55 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1mg5 s VAL 56 N -3.06 4.38 -0.25 -0.18 1.01 -0.81 -4.74 120.40 116.74 1mg5 s VAL 56 Ca 0.11 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1mg5 s VAL 56 Cb 0.15 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1mg5 s VAL 56 CO 0.52 0.57 0.41 -0.89 0.00 0.00 0.00 175.10 175.72 1mg5 s THR 57 N -0.58 5.15 -0.23 3.92 2.01 -0.58 -4.90 115.64 120.43 1mg5 s THR 57 Ca 0.10 0.67 -0.06 0.00 0.31 0.00 0.00 61.69 62.71 1mg5 s THR 57 Cb -0.12 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1mg5 s THR 57 CO 0.02 0.16 0.04 -0.69 -0.69 0.00 0.00 174.62 173.46 1mg5 s VAL 58 N 1.99 4.16 -0.02 3.82 1.01 -1.26 -1.49 120.40 128.61 1mg5 s VAL 58 Ca 0.17 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1mg5 s VAL 58 Cb -0.16 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1mg5 s VAL 58 CO 0.09 0.38 -0.22 -0.89 0.00 0.00 0.00 175.10 174.47 1mg5 s THR 59 N 1.34 1.72 -0.05 3.92 2.01 -0.54 -4.97 115.64 119.07 1mg5 s THR 59 Ca 0.05 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1mg5 s THR 59 Cb -0.15 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1mg5 s THR 59 CO 0.02 0.49 -0.14 0.12 -0.69 0.00 0.00 174.62 174.42 1mg5 s PHE 60 N -0.47 2.70 -0.04 4.92 2.19 -1.26 0.07 117.98 126.09 1mg5 s PHE 60 Ca 0.07 -0.17 0.01 0.00 0.33 0.00 0.00 56.93 57.17 1mg5 s PHE 60 Cb -0.09 -1.63 0.02 0.00 -1.31 0.00 0.00 43.02 40.01 1mg5 s PHE 60 CO -0.00 0.18 -0.05 0.71 1.83 0.00 0.00 175.22 177.88 1mg5 s TYR 61 N -0.70 0.73 0.30 10.12 1.51 -0.43 -4.96 117.35 123.91 1mg5 s TYR 61 Ca 0.11 -0.19 -0.29 0.00 -1.01 0.00 0.00 57.07 55.69 1mg5 s TYR 61 Cb -0.11 -0.61 -0.10 0.00 -0.11 0.00 0.00 41.96 41.03 1mg5 s TYR 61 CO 0.01 -0.15 1.42 -1.25 -1.11 0.00 0.00 175.55 174.47 1mg5 s PRO 62 N 0.67 4.25 -0.26 -1.71 0.04 -1.26 -2.62 135.00 134.12 1mg5 s PRO 62 Ca -0.09 2.35 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 1mg5 s PRO 62 Cb -0.12 -3.07 0.07 0.00 0.04 0.00 0.00 34.50 31.42 1mg5 s PRO 62 CO 0.00 -0.39 0.65 -0.47 0.04 0.00 0.00 177.00 176.83 1mg5 s TYR 63 N -0.49 -0.89 -0.23 0.56 5.04 -0.12 -4.79 117.35 116.43 1mg5 s TYR 63 Ca 0.56 1.92 0.00 0.00 -2.44 0.00 0.00 57.07 57.11 1mg5 s TYR 63 Cb -0.43 0.45 0.03 0.00 0.35 0.00 0.00 41.96 42.37 1mg5 s TYR 63 CO 0.49 -0.44 -0.11 0.34 -1.34 0.00 0.00 175.55 174.49 1mg5 s ASP 64 N 1.13 4.03 0.23 4.32 -1.08 -1.26 -2.05 116.67 122.00 1mg5 s ASP 64 Ca -0.06 -0.93 0.19 0.00 -0.52 0.00 0.00 52.55 51.22 1mg5 s ASP 64 Cb -0.05 -1.59 0.91 0.00 -1.46 0.00 0.00 42.92 40.73 1mg5 s ASP 64 CO -0.11 -0.11 1.57 1.33 0.52 0.00 0.00 175.17 178.37 1mg5 n VAL 65 N 4.60 1.11 1.80 1.11 0.24 -1.26 -2.47 118.33 123.46 1mg5 n VAL 65 Ca -0.17 0.52 0.15 0.00 -2.04 0.00 0.00 64.34 62.80 1mg5 n VAL 65 Cb 0.47 -1.48 0.78 0.00 -1.47 0.00 0.00 33.84 32.14 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 -2.09 0.00 -1.22 3.34 -2.24 -1.26 -4.35 114.28 106.46 1mg5 n THR 66 Ca 0.00 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.38 1mg5 n THR 66 Cb 0.10 -0.12 0.10 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.01 3.21 0.75 2.28 -7.23 -1.03 -4.99 120.40 111.38 1mg5 s VAL 67 Ca 0.44 0.39 -0.15 0.00 -1.81 0.00 0.00 61.98 60.85 1mg5 s VAL 67 Cb 0.22 -2.85 0.05 0.00 0.56 0.00 0.00 36.38 34.35 1mg5 s VAL 67 CO 0.36 -0.52 1.23 -2.84 -0.31 0.00 0.00 175.10 173.03 1mg5 s PRO 68 N -4.89 2.00 0.50 4.82 0.02 -1.26 -4.80 135.00 131.38 1mg5 s PRO 68 Ca 0.62 1.84 0.16 0.00 0.02 0.00 0.00 61.00 63.64 1mg5 s PRO 68 Cb -0.18 -1.81 1.21 0.00 0.02 0.00 0.00 34.50 33.74 1mg5 s PRO 68 CO 0.56 -1.96 2.09 0.97 -0.33 0.00 0.00 177.00 178.33 1mg5 h ILE 69 N -0.37 0.95 -0.74 2.83 2.10 -1.94 -1.04 117.51 119.31 1mg5 h ILE 69 Ca -0.48 -0.04 0.03 0.00 1.08 0.00 0.00 64.86 65.44 1mg5 h ILE 69 Cb 1.31 0.82 -0.04 0.00 -1.09 0.00 0.00 36.82 37.81 1mg5 h ILE 69 CO 0.49 0.02 0.49 0.00 -1.08 0.00 0.00 178.15 178.07 1mg5 h ALA 70 N 1.88 1.54 -0.23 0.18 0.00 -1.98 0.45 119.26 121.10 1mg5 h ALA 70 Ca 0.10 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1mg5 h ALA 70 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1mg5 h ALA 70 CO -0.01 0.39 -0.47 0.93 0.00 0.00 0.00 179.25 180.09 1mg5 h GLU 71 N 0.92 0.60 -0.47 0.00 4.39 -1.53 -1.63 114.58 116.87 1mg5 h GLU 71 Ca 0.29 -0.34 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 1mg5 h GLU 71 Cb 0.01 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1mg5 h GLU 71 CO -0.08 0.94 0.09 1.15 -1.16 0.00 0.00 179.01 179.95 1mg5 h THR 72 N 0.47 1.24 -0.56 1.13 2.02 -1.27 -2.29 112.91 113.66 1mg5 h THR 72 Ca 0.03 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.38 1mg5 h THR 72 Cb 1.00 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 1mg5 h THR 72 CO 0.09 0.31 0.27 0.74 0.37 0.00 0.00 175.52 177.31 1mg5 h THR 73 N 0.63 0.92 -0.52 3.16 2.02 -0.78 0.18 112.91 118.52 1mg5 h THR 73 Ca 0.14 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1mg5 h THR 73 Cb 0.37 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 1mg5 h THR 73 CO 0.01 0.09 0.25 0.50 0.37 0.00 0.00 175.52 176.74 1mg5 h LYS 74 N 0.52 0.47 -0.27 6.66 3.64 -1.11 0.25 116.57 126.72 1mg5 h LYS 74 Ca 0.26 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.47 1mg5 h LYS 74 Cb 0.20 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1mg5 h LYS 74 CO -0.20 0.31 -0.39 1.25 -2.27 0.00 0.00 179.45 178.15 1mg5 h LEU 75 N 0.48 0.67 -0.91 5.20 5.85 -0.87 -2.64 115.31 123.09 1mg5 h LEU 75 Ca 0.24 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1mg5 h LEU 75 Cb 0.18 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1mg5 h LEU 75 CO -0.18 0.99 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.77 1mg5 h LEU 76 N 0.52 0.71 -0.16 2.25 3.38 -0.56 -0.98 115.31 120.48 1mg5 h LEU 76 Ca 0.05 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1mg5 h LEU 76 Cb 0.90 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1mg5 h LEU 76 CO 0.08 0.82 -0.04 0.50 0.09 0.00 0.00 178.44 179.89 1mg5 h LYS 77 N 0.68 0.00 -0.70 1.13 1.63 -0.75 0.28 116.57 118.84 1mg5 h LYS 77 Ca 0.12 -0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.96 1mg5 h LYS 77 Cb 0.51 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.10 1mg5 h LYS 77 CO 0.03 0.00 0.43 1.15 -3.45 0.00 0.00 179.45 177.61 1mg5 h THR 78 N 0.00 1.07 -0.27 1.00 2.02 -1.11 0.69 112.91 116.30 1mg5 h THR 78 Ca 0.08 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 1mg5 h THR 78 Cb 0.11 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1mg5 h THR 78 CO -0.16 0.15 -0.32 0.40 0.37 0.00 0.00 175.52 175.96 1mg5 h ILE 79 N 0.83 1.30 0.00 3.11 2.04 -0.57 -2.32 117.51 121.91 1mg5 h ILE 79 Ca 0.29 -1.50 -0.06 0.00 1.00 0.00 0.00 64.86 64.58 1mg5 h ILE 79 Cb 0.06 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1mg5 h ILE 79 CO -0.13 0.48 -0.30 -0.26 0.00 0.00 0.00 178.15 177.94 1mg5 h PHE 80 N 0.44 0.00 -0.44 1.37 0.04 -0.25 0.19 116.94 118.28 1mg5 h PHE 80 Ca 0.04 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.69 1mg5 h PHE 80 Cb 0.90 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1mg5 h PHE 80 CO 0.08 0.30 -0.19 0.00 -0.60 0.00 0.00 178.31 177.90 1mg5 h ALA 81 N 1.70 0.82 -0.23 2.45 0.00 -0.73 0.53 119.26 123.80 1mg5 h ALA 81 Ca -0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 1mg5 h ALA 81 Cb 0.63 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1mg5 h ALA 81 CO 0.04 0.65 -0.35 0.37 0.00 0.00 0.00 179.25 179.96 1mg5 h GLN 82 N 0.76 0.63 0.00 0.00 4.15 -0.78 -3.37 115.11 116.51 1mg5 h GLN 82 Ca 0.11 -0.38 -0.05 0.00 0.77 0.00 0.00 58.65 59.10 1mg5 h GLN 82 Cb 0.73 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 1mg5 h GLN 82 CO 0.06 0.99 -1.88 1.28 -1.93 0.00 0.00 178.83 177.35 1mg5 n LEU 83 N -4.27 0.00 0.00 -2.39 4.77 0.58 -5.01 117.00 110.68 1mg5 n LEU 83 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1mg5 n LEU 83 Cb 0.50 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1mg5 n LEU 83 CO 0.45 0.07 0.00 0.29 -1.33 0.00 0.00 177.39 176.87 1mg5 n LYS 84 N -2.21 0.00 -4.23 3.23 4.76 0.19 -4.83 118.16 115.07 1mg5 n LYS 84 Ca -0.07 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.17 1mg5 n LYS 84 Cb 0.57 -0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.64 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 1.38 -0.09 -0.18 -4.23 -1.26 -4.93 115.64 106.32 1mg5 s THR 85 Ca 0.00 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1mg5 s THR 85 Cb 0.00 -1.35 0.02 0.00 1.34 0.00 0.00 72.50 72.52 1mg5 s THR 85 CO 0.00 -0.21 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.11 1mg5 s VAL 86 N -1.44 0.90 -0.08 2.29 1.01 -1.26 -4.81 120.40 117.01 1mg5 s VAL 86 Ca 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1mg5 s VAL 86 Cb -0.09 -0.92 -0.26 0.00 0.00 0.00 0.00 36.38 35.11 1mg5 s VAL 86 CO 0.03 0.34 0.52 0.44 0.00 0.00 0.00 175.10 176.43 1mg5 h ASP 87 N 7.91 0.34 -3.67 3.32 3.32 -1.07 -3.47 116.42 123.10 1mg5 h ASP 87 Ca -0.29 -0.69 -0.31 0.00 0.02 0.00 0.00 57.03 55.76 1mg5 h ASP 87 Cb 1.14 -0.11 -0.31 0.00 0.22 0.00 0.00 39.33 40.27 1mg5 h ASP 87 CO 0.40 1.61 -0.74 -0.69 -1.72 0.00 0.00 179.24 178.10 1mg5 s VAL 88 N -2.58 0.20 -0.16 -1.35 1.01 -1.03 -2.41 120.40 114.07 1mg5 s VAL 88 Ca -0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 1mg5 s VAL 88 Cb 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 36.38 36.21 1mg5 s VAL 88 CO 0.80 0.10 -0.13 -0.22 0.00 0.00 0.00 175.10 175.65 1mg5 s LEU 89 N 0.46 2.56 -0.24 3.92 2.96 -0.42 -1.06 118.68 126.85 1mg5 s LEU 89 Ca -0.04 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1mg5 s LEU 89 Cb -0.07 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 1mg5 s LEU 89 CO -0.01 0.07 0.02 -0.63 -1.32 0.00 0.00 176.35 174.48 1mg5 s ILE 90 N 0.90 3.86 -0.57 6.68 1.01 0.46 -0.91 121.20 132.62 1mg5 s ILE 90 Ca -0.03 -0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 1mg5 s ILE 90 Cb -0.15 -2.80 0.14 0.00 0.01 0.00 0.00 42.46 39.66 1mg5 s ILE 90 CO -0.01 0.36 0.52 0.20 0.00 0.00 0.00 174.94 176.01 1mg5 s ASN 91 N 1.55 6.23 0.00 3.58 0.01 -0.41 -0.66 114.94 125.23 1mg5 s ASN 91 Ca 0.06 -1.90 0.08 0.00 -0.71 0.00 0.00 52.86 50.39 1mg5 s ASN 91 Cb -0.15 -2.20 0.20 0.00 0.41 0.00 0.00 41.25 39.51 1mg5 s ASN 91 CO 0.00 -0.82 1.11 0.61 -1.51 0.00 0.00 177.10 176.50 1mg5 n GLY 92 N 5.09 2.16 3.76 0.66 0.00 0.04 -1.84 105.19 115.05 1mg5 n GLY 92 Ca -0.11 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.94 3.55 -0.23 4.61 0.00 -1.25 -4.83 121.76 122.66 1mg5 s ALA 93 Ca 0.16 1.28 -0.26 0.00 0.00 0.00 0.00 51.96 53.13 1mg5 s ALA 93 Cb 0.09 -3.51 0.10 0.00 0.00 0.00 0.00 23.12 19.80 1mg5 s ALA 93 CO 0.12 -0.68 0.89 0.20 0.00 0.00 0.00 175.76 176.29 1mg5 s GLY 94 N -0.09 -0.34 0.18 0.00 0.00 -1.26 -4.53 107.32 101.28 1mg5 s GLY 94 Ca 0.53 2.23 0.11 0.00 0.00 0.00 0.00 44.72 47.59 1mg5 s GLY 94 CO 0.48 1.60 -0.23 -0.26 0.00 0.00 0.00 173.10 174.69 1mg5 s ILE 95 N -0.07 2.20 -0.36 0.90 -4.36 -1.26 -5.03 121.20 113.21 1mg5 s ILE 95 Ca -0.00 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 1mg5 s ILE 95 Cb -0.04 -2.03 0.11 0.00 1.25 0.00 0.00 42.46 41.76 1mg5 s ILE 95 CO -0.01 -0.14 0.14 -0.22 0.24 0.00 0.00 174.94 174.95 1mg5 s LEU 96 N -2.59 2.95 -0.34 0.37 0.20 -1.26 -4.94 118.68 113.07 1mg5 s LEU 96 Ca 0.18 -2.10 -0.02 0.00 0.69 0.00 0.00 54.13 52.89 1mg5 s LEU 96 Cb -0.08 -1.10 0.19 0.00 -0.43 0.00 0.00 46.19 44.77 1mg5 s LEU 96 CO 0.09 -0.36 0.85 -0.62 -0.29 0.00 0.00 176.35 176.02 1mg5 s ASP 97 N 1.01 -0.92 0.00 3.68 -1.08 -1.26 -4.51 116.67 113.59 1mg5 s ASP 97 Ca 0.13 -0.28 0.10 0.00 -0.52 0.00 0.00 52.55 51.98 1mg5 s ASP 97 Cb -0.20 1.30 0.60 0.00 -1.46 0.00 0.00 42.92 43.16 1mg5 s ASP 97 CO -0.13 -0.12 1.22 0.47 0.52 0.00 0.00 175.17 177.13 1mg5 n ASP 98 N 4.42 0.00 0.15 -0.34 9.92 -0.42 -0.96 116.55 129.32 1mg5 n ASP 98 Ca 0.08 -1.28 0.12 0.00 -0.53 0.00 0.00 54.79 53.18 1mg5 n ASP 98 Cb 0.59 0.00 0.15 0.00 -0.64 0.00 0.00 41.12 41.22 1mg5 n ASP 98 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 1mg5 h HIS 99 N 0.00 0.00 -3.33 1.24 3.86 -1.79 -3.40 115.15 111.73 1mg5 h HIS 99 Ca 0.00 0.00 -0.74 0.00 -1.16 0.00 0.00 60.37 58.47 1mg5 h HIS 99 Cb 0.00 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 28.14 1mg5 h HIS 99 CO 0.00 0.00 0.11 1.04 0.86 0.00 0.00 177.93 179.94 1mg5 n GLN 100 N -2.76 3.02 0.26 2.45 6.02 -0.13 -4.95 117.38 121.29 1mg5 n GLN 100 Ca 0.03 -4.49 -0.15 0.00 -0.01 0.00 0.00 57.00 52.39 1mg5 n GLN 100 Cb 0.51 -2.45 -0.08 0.00 1.02 0.00 0.00 30.24 29.24 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 3.85 0.46 -0.22 5.09 2.04 -1.79 -1.06 117.51 125.87 1mg5 h ILE 101 Ca 0.17 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1mg5 h ILE 101 Cb 0.81 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1mg5 h ILE 101 CO 0.94 0.05 0.01 -0.33 0.00 0.00 0.00 178.15 178.82 1mg5 h GLU 102 N -0.87 0.08 -0.59 2.37 3.07 -1.97 -2.73 114.58 113.95 1mg5 h GLU 102 Ca -0.07 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.70 1mg5 h GLU 102 Cb 0.59 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 1mg5 h GLU 102 CO 0.11 0.06 0.01 -0.09 -1.40 0.00 0.00 179.01 177.69 1mg5 h ARG 103 N 0.09 1.02 -0.73 2.33 9.65 -1.97 -0.48 114.38 124.29 1mg5 h ARG 103 Ca 0.10 -0.31 0.08 0.00 -1.10 0.00 0.00 59.98 58.75 1mg5 h ARG 103 Cb 0.13 -0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 28.54 1mg5 h ARG 103 CO -0.17 1.00 0.40 1.15 2.80 0.00 0.00 179.97 185.15 1mg5 h THR 104 N 0.94 0.91 -0.12 0.20 2.02 -1.01 0.87 112.91 116.71 1mg5 h THR 104 Ca 0.17 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 66.91 1mg5 h THR 104 Cb 0.53 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1mg5 h THR 104 CO 0.03 0.13 -0.70 0.40 0.37 0.00 0.00 175.52 175.74 1mg5 h ILE 105 N 0.70 1.31 -0.72 3.11 2.04 -1.33 -0.36 117.51 122.26 1mg5 h ILE 105 Ca 0.35 -1.94 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 1mg5 h ILE 105 Cb 0.30 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 1mg5 h ILE 105 CO -0.23 0.60 0.27 0.00 0.00 0.00 0.00 178.15 178.80 1mg5 h ALA 106 N 0.51 0.93 0.09 1.87 0.00 -0.73 -1.42 119.26 120.51 1mg5 h ALA 106 Ca -0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1mg5 h ALA 106 Cb 1.34 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1mg5 h ALA 106 CO 0.14 0.57 -0.04 0.28 0.00 0.00 0.00 179.25 180.20 1mg5 h VAL 107 N 1.03 0.69 0.00 0.00 2.07 -0.84 0.23 116.25 119.44 1mg5 h VAL 107 Ca 0.24 -1.32 -0.13 0.00 0.82 0.00 0.00 66.70 66.30 1mg5 h VAL 107 Cb 0.23 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1mg5 h VAL 107 CO -0.02 0.21 -0.64 0.78 0.02 0.00 0.00 177.57 177.93 1mg5 h ASN 108 N -0.97 0.00 0.00 0.57 4.21 -1.11 -3.34 115.58 114.94 1mg5 h ASN 108 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1mg5 h ASN 108 Cb 0.45 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 1mg5 h ASN 108 CO 0.02 0.64 -0.09 0.00 -1.29 0.00 0.00 177.43 176.71 1mg5 n TYR 109 N -3.73 0.00 -0.19 1.19 9.36 -0.63 -4.60 117.16 118.57 1mg5 n TYR 109 Ca -0.01 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.20 1mg5 n TYR 109 Cb 0.64 -0.04 0.09 0.00 -0.63 0.00 0.00 39.34 39.40 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 -0.09 0.76 -0.64 2.97 2.02 -1.41 -0.52 112.91 116.01 1mg5 h THR 110 Ca 0.00 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1mg5 h THR 110 Cb 0.09 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1mg5 h THR 110 CO 0.00 0.07 0.27 1.23 0.37 0.00 0.00 175.52 177.46 1mg5 h GLY 111 N 0.36 1.01 0.99 2.16 0.00 -0.66 0.03 103.07 106.97 1mg5 h GLY 111 Ca 0.29 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1mg5 h GLY 111 CO -0.31 0.50 0.30 -2.00 0.00 0.00 0.00 176.54 175.04 1mg5 h LEU 112 N 0.89 0.56 -0.55 3.11 6.46 -1.51 -0.66 115.31 123.61 1mg5 h LEU 112 Ca 0.22 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1mg5 h LEU 112 Cb 0.17 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 1mg5 h LEU 112 CO -0.02 0.43 0.35 0.58 -0.62 0.00 0.00 178.44 179.17 1mg5 h VAL 113 N 0.64 1.15 -0.41 1.05 2.07 -0.83 -1.99 116.25 117.93 1mg5 h VAL 113 Ca 0.17 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.25 1mg5 h VAL 113 Cb -0.04 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1mg5 h VAL 113 CO -0.03 0.15 -0.32 0.78 0.02 0.00 0.00 177.57 178.17 1mg5 h ASN 114 N 0.74 0.98 -0.65 0.57 2.35 -0.63 0.74 115.58 119.69 1mg5 h ASN 114 Ca 0.20 -0.41 -0.08 0.00 -0.55 0.00 0.00 56.30 55.46 1mg5 h ASN 114 Cb -0.06 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.01 1mg5 h ASN 114 CO -0.04 1.20 0.09 0.74 -1.65 0.00 0.00 177.43 177.77 1mg5 h THR 115 N 0.78 1.26 -0.08 2.81 2.02 -1.06 0.20 112.91 118.84 1mg5 h THR 115 Ca 0.08 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 1mg5 h THR 115 Cb 0.90 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1mg5 h THR 115 CO 0.08 0.39 0.05 0.74 0.37 0.00 0.00 175.52 177.15 1mg5 h THR 116 N 1.00 1.08 -0.80 3.16 2.02 -1.21 -0.84 112.91 117.31 1mg5 h THR 116 Ca 0.19 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1mg5 h THR 116 Cb 0.46 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1mg5 h THR 116 CO 0.02 0.07 0.42 0.74 0.37 0.00 0.00 175.52 177.14 1mg5 h THR 117 N 0.05 1.24 -0.58 3.16 2.02 -0.67 -1.45 112.91 116.69 1mg5 h THR 117 Ca 0.03 -0.63 -0.09 0.00 0.77 0.00 0.00 66.41 66.49 1mg5 h THR 117 Cb 0.07 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1mg5 h THR 117 CO -0.00 0.28 0.01 0.00 0.37 0.00 0.00 175.52 176.17 1mg5 h ALA 118 N 1.22 0.78 0.00 6.16 0.00 -0.37 -2.91 119.26 124.13 1mg5 h ALA 118 Ca 0.28 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1mg5 h ALA 118 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1mg5 h ALA 118 CO -0.04 0.60 -0.27 0.97 0.00 0.00 0.00 179.25 180.51 1mg5 h ILE 119 N 0.90 0.58 0.00 0.00 2.10 -0.88 -2.66 117.51 117.55 1mg5 h ILE 119 Ca 0.16 -1.34 -0.00 0.00 1.08 0.00 0.00 64.86 64.76 1mg5 h ILE 119 Cb 0.54 1.92 -0.00 0.00 -1.09 0.00 0.00 36.82 38.19 1mg5 h ILE 119 CO 0.03 0.26 -0.00 -0.07 -1.08 0.00 0.00 178.15 177.29 1mg5 h LEU 120 N 0.00 0.00 -1.57 2.19 -0.00 -1.06 0.09 115.31 114.96 1mg5 h LEU 120 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1mg5 h LEU 120 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.55 1mg5 h LEU 120 CO 0.03 0.00 -0.18 -0.78 -0.00 0.00 0.00 178.44 177.51 1mg5 h ASP 121 N 0.00 0.04 0.96 -0.43 3.58 -1.51 0.16 116.42 119.22 1mg5 h ASP 121 Ca -0.00 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 1mg5 h ASP 121 Cb 0.00 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 1mg5 h ASP 121 CO 0.00 0.23 -1.12 -0.26 -2.88 0.00 0.00 179.24 175.21 1mg5 h PHE 122 N 0.04 0.00 0.00 0.28 -1.00 -1.16 -3.40 116.94 111.70 1mg5 h PHE 122 Ca 0.01 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.65 1mg5 h PHE 122 Cb 0.35 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.89 1mg5 h PHE 122 CO 0.00 0.61 -1.87 0.91 -1.61 0.00 0.00 178.31 176.35 1mg5 n TRP 123 N -3.04 0.00 -1.67 -0.55 8.01 -0.87 -4.41 117.44 114.91 1mg5 n TRP 123 Ca -0.06 0.00 -0.52 0.00 -1.31 0.00 0.00 57.50 55.62 1mg5 n TRP 123 Cb 0.83 -0.55 -0.06 0.00 -2.01 0.00 0.00 31.31 29.52 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 -2.30 2.63 0.26 -0.99 -0.08 0.52 -0.18 116.55 116.41 1mg5 n ASP 124 Ca -0.14 1.06 0.13 0.00 -1.51 0.00 0.00 54.79 54.33 1mg5 n ASP 124 Cb 0.70 -1.26 0.69 0.00 2.34 0.00 0.00 41.12 43.59 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 6.92 0.00 0.00 -0.67 2.10 -1.05 -0.65 116.57 123.23 1mg5 h LYS 125 Ca -0.47 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.16 1mg5 h LYS 125 Cb 1.30 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1mg5 h LYS 125 CO 0.90 0.13 -0.08 0.00 -2.00 0.00 0.00 179.45 178.40 1mg5 h ARG 126 N 0.00 0.00 -0.63 0.07 3.08 -1.80 -1.89 114.38 113.21 1mg5 h ARG 126 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mg5 h ARG 126 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1mg5 h ARG 126 CO 0.02 0.08 0.00 1.63 -1.07 0.00 0.00 179.97 180.63 1mg5 n LYS 127 N -3.33 2.60 -0.62 0.04 5.02 -0.66 -4.91 118.16 116.30 1mg5 n LYS 127 Ca -0.01 -2.48 0.00 0.00 -2.02 0.00 0.00 58.31 53.80 1mg5 n LYS 127 Cb 0.27 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1mg5 n LYS 127 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mg5 n GLY 128 N 1.60 0.67 3.91 0.72 0.00 -0.71 -5.02 105.19 106.36 1mg5 n GLY 128 Ca 0.23 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.18 1.64 0.00 -0.02 0.00 -0.34 -4.96 107.32 101.46 1mg5 s GLY 129 Ca 0.00 -0.75 0.24 0.00 0.00 0.00 0.00 44.72 44.21 1mg5 s GLY 129 CO 0.00 -0.34 1.67 -1.55 0.00 0.00 0.00 173.10 172.88 1mg5 n PRO 130 N -3.00 1.59 0.00 2.90 -0.04 -1.20 -3.99 135.00 131.26 1mg5 n PRO 130 Ca 0.07 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 1mg5 n PRO 130 Cb 0.60 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 1.10 -2.57 3.70 0.55 0.00 0.74 -4.99 105.19 103.72 1mg5 n GLY 131 Ca 0.17 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.76 0.23 3.10 -0.02 0.00 -1.05 -4.80 105.19 101.89 1mg5 n GLY 132 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.02 1.32 -0.14 -0.61 1.01 -1.01 -1.55 121.20 118.19 1mg5 s ILE 133 Ca 0.28 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.32 1mg5 s ILE 133 Cb -0.01 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1mg5 s ILE 133 CO -0.01 0.39 -0.22 -0.63 0.00 0.00 0.00 174.94 174.47 1mg5 s ILE 134 N 0.20 2.08 -0.31 2.92 1.01 0.06 -1.31 121.20 125.85 1mg5 s ILE 134 Ca -0.07 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 1mg5 s ILE 134 Cb -0.12 -1.83 0.05 0.00 0.01 0.00 0.00 42.46 40.56 1mg5 s ILE 134 CO 0.03 0.55 0.03 0.00 0.00 0.00 0.00 174.94 175.54 1mg5 s ASN 136 N 1.30 5.88 -0.44 0.00 0.01 -0.52 -1.29 114.94 119.88 1mg5 s ASN 136 Ca -0.04 0.28 -0.25 0.00 -0.71 0.00 0.00 52.86 52.14 1mg5 s ASN 136 Cb -0.20 -1.87 0.02 0.00 0.41 0.00 0.00 41.25 39.61 1mg5 s ASN 136 CO 0.00 0.34 0.89 -0.63 -1.51 0.00 0.00 177.10 176.18 1mg5 s ILE 137 N -0.60 4.54 0.00 0.60 1.01 -0.76 -1.58 121.20 124.42 1mg5 s ILE 137 Ca 0.11 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1mg5 s ILE 137 Cb -0.12 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 37.97 1mg5 s ILE 137 CO 0.02 -0.73 0.00 0.61 0.00 0.00 0.00 174.94 174.84 1mg5 n GLY 138 N 4.82 0.56 0.00 6.18 0.00 -0.07 -4.90 105.19 111.78 1mg5 n GLY 138 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.65 113.62 112.49 1mg5 n SER 139 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 1mg5 n SER 139 Cb 0.00 0.00 0.94 0.00 -0.75 0.00 0.00 64.21 64.40 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 0.55 0.36 0.00 2.46 -1.51 -1.53 -1.27 116.25 115.32 1mg5 h VAL 140 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 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 0.71 -1.23 0.00 0.00 177.57 177.08 1mg5 h THR 141 N 0.00 0.00 0.00 7.19 1.35 -1.85 0.11 112.91 119.70 1mg5 h THR 141 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1mg5 h THR 141 Cb 0.12 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1mg5 h THR 141 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1mg5 n GLY 142 N -0.48 -1.52 0.10 5.82 0.00 -0.48 -3.03 105.19 105.61 1mg5 n GLY 142 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 1mg5 n GLY 142 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mg5 n PHE 143 N -1.84 0.65 -3.63 1.61 3.72 -0.04 -4.34 117.46 113.59 1mg5 n PHE 143 Ca 0.06 0.28 -0.18 0.00 -0.05 0.00 0.00 57.45 57.56 1mg5 n PHE 143 Cb 0.35 -0.93 -0.15 0.00 -0.94 0.00 0.00 39.48 37.80 1mg5 n PHE 143 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1mg5 s ASN 144 N -6.62 1.07 0.94 4.37 -0.87 -0.80 -5.12 114.94 107.91 1mg5 s ASN 144 Ca -0.28 0.11 -0.11 0.00 -1.57 0.00 0.00 52.86 51.01 1mg5 s ASN 144 Cb 0.07 0.22 0.16 0.00 -0.02 0.00 0.00 41.25 41.67 1mg5 s ASN 144 CO 0.46 -0.27 1.11 0.00 -2.57 0.00 0.00 177.10 175.83 1mg5 s ALA 145 N 2.28 1.22 -0.62 0.60 0.00 -1.17 -3.86 121.76 120.21 1mg5 s ALA 145 Ca 0.04 0.35 -0.22 0.00 0.00 0.00 0.00 51.96 52.13 1mg5 s ALA 145 Cb -0.13 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.70 1mg5 s ALA 145 CO -0.07 -2.79 0.87 0.42 0.00 0.00 0.00 175.76 174.19 1mg5 s ILE 146 N -2.68 4.49 -0.51 0.00 1.01 -1.26 -4.92 121.20 117.33 1mg5 s ILE 146 Ca 0.66 -0.44 0.19 0.00 0.00 0.00 0.00 60.65 61.06 1mg5 s ILE 146 Cb -0.22 -4.59 0.19 0.00 0.01 0.00 0.00 42.46 37.85 1mg5 s ILE 146 CO 0.59 -1.29 1.58 0.00 0.00 0.00 0.00 174.94 175.82 1mg5 n TYR 147 N 7.24 0.59 0.81 3.97 0.18 -1.26 -1.78 117.16 126.91 1mg5 n TYR 147 Ca -0.05 0.26 0.13 0.00 1.88 0.00 0.00 57.90 60.13 1mg5 n TYR 147 Cb 0.45 -0.92 0.49 0.00 -0.38 0.00 0.00 39.34 38.98 1mg5 n TYR 147 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 1mg5 n GLN 148 N -2.07 0.14 -3.49 -3.48 3.00 -1.26 -3.44 117.38 106.78 1mg5 n GLN 148 Ca 0.01 0.11 -0.27 0.00 -0.01 0.00 0.00 57.00 56.84 1mg5 n GLN 148 Cb 0.13 -1.65 -0.09 0.00 0.00 0.00 0.00 30.24 28.62 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 -1.89 1.19 -0.03 5.09 0.24 -0.73 -2.28 118.33 119.92 1mg5 n VAL 149 Ca 0.06 -4.70 -0.07 0.00 -2.04 0.00 0.00 64.34 57.59 1mg5 n VAL 149 Cb 0.39 -2.04 0.11 0.00 -1.47 0.00 0.00 33.84 30.83 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 4.59 0.61 0.14 7.34 0.13 -1.68 -1.35 132.00 141.79 1mg5 h PRO 150 Ca 0.17 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1mg5 h PRO 150 Cb 0.75 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1mg5 h PRO 150 CO 0.68 0.86 -0.07 0.28 -0.23 0.00 0.00 178.00 179.53 1mg5 h VAL 151 N 0.52 1.02 -0.33 1.56 2.07 -1.92 -1.91 116.25 117.25 1mg5 h VAL 151 Ca 0.06 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.79 1mg5 h VAL 151 Cb 0.82 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 32.04 1mg5 h VAL 151 CO 0.07 0.20 -0.30 0.22 0.02 0.00 0.00 177.57 177.78 1mg5 h TYR 152 N -0.62 -0.82 -0.87 1.57 3.20 -1.93 -1.63 116.97 115.88 1mg5 h TYR 152 Ca -0.02 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.96 1mg5 h TYR 152 Cb 0.47 0.41 -0.06 0.00 1.54 0.00 0.00 36.73 39.09 1mg5 h TYR 152 CO 0.06 -0.37 0.56 0.77 -1.64 0.00 0.00 178.16 177.54 1mg5 h SER 153 N -0.26 0.86 -0.38 -2.11 0.02 -1.26 -1.17 113.55 109.25 1mg5 h SER 153 Ca 0.16 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1mg5 h SER 153 Cb 0.52 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1mg5 h SER 153 CO -0.48 0.56 -0.05 1.23 -1.14 0.00 0.00 176.83 176.94 1mg5 h GLY 154 N 0.98 0.86 1.16 -3.77 0.00 -0.75 -0.94 103.07 100.61 1mg5 h GLY 154 Ca 0.37 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1mg5 h GLY 154 CO -0.13 0.56 0.28 -0.91 0.00 0.00 0.00 176.54 176.34 1mg5 h THR 155 N 0.73 1.25 -0.14 4.70 1.35 -0.31 -1.45 112.91 119.04 1mg5 h THR 155 Ca 0.13 -0.79 -0.12 0.00 -0.55 0.00 0.00 66.41 65.08 1mg5 h THR 155 Cb 0.52 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 1mg5 h THR 155 CO 0.03 0.32 -0.46 0.11 -0.25 0.00 0.00 175.52 175.27 1mg5 h LYS 156 N 1.05 0.34 -0.75 4.72 1.79 -0.81 -1.62 116.57 121.29 1mg5 h LYS 156 Ca 0.24 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1mg5 h LYS 156 Cb 0.21 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1mg5 h LYS 156 CO -0.02 0.73 0.44 0.00 -1.08 0.00 0.00 179.45 179.52 1mg5 h ALA 157 N 1.25 0.96 -0.47 3.86 0.00 -0.66 -1.52 119.26 122.68 1mg5 h ALA 157 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1mg5 h ALA 157 Cb 0.91 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1mg5 h ALA 157 CO 0.08 0.43 0.24 0.00 0.00 0.00 0.00 179.25 180.00 1mg5 h ALA 158 N 1.23 0.60 -0.57 0.00 0.00 -0.97 -1.86 119.26 117.70 1mg5 h ALA 158 Ca 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1mg5 h ALA 158 Cb -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1mg5 h ALA 158 CO -0.05 0.14 0.34 0.28 0.00 0.00 0.00 179.25 179.96 1mg5 h VAL 159 N 0.61 1.17 -0.23 0.00 2.07 -0.95 -0.12 116.25 118.80 1mg5 h VAL 159 Ca 0.16 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1mg5 h VAL 159 Cb 0.08 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1mg5 h VAL 159 CO -0.02 0.18 0.15 0.58 0.02 0.00 0.00 177.57 178.47 1mg5 h VAL 160 N 0.77 1.08 -0.26 2.57 2.07 -1.08 -0.93 116.25 120.47 1mg5 h VAL 160 Ca 0.20 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1mg5 h VAL 160 Cb -0.01 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1mg5 h VAL 160 CO -0.04 0.08 0.02 -1.13 0.02 0.00 0.00 177.57 176.52 1mg5 h ASN 161 N 0.30 0.43 -0.50 0.57 -0.73 -1.20 -1.31 115.58 113.14 1mg5 h ASN 161 Ca 0.09 -0.28 0.02 0.00 1.87 0.00 0.00 56.30 57.99 1mg5 h ASN 161 Cb -0.00 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 38.44 1mg5 h ASN 161 CO -0.02 0.61 0.30 0.15 -0.37 0.00 0.00 177.43 178.10 1mg5 h PHE 162 N 0.24 0.56 -0.50 0.67 3.57 -0.96 -1.15 116.94 119.38 1mg5 h PHE 162 Ca 0.08 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1mg5 h PHE 162 Cb 0.37 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1mg5 h PHE 162 CO 0.03 0.33 0.02 1.15 -2.23 0.00 0.00 178.31 177.60 1mg5 h THR 163 N 0.60 1.26 -0.94 4.41 2.02 -1.06 0.06 112.91 119.27 1mg5 h THR 163 Ca 0.20 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.37 1mg5 h THR 163 Cb 0.01 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 1mg5 h THR 163 CO -0.09 0.37 0.61 -1.28 0.37 0.00 0.00 175.52 175.50 1mg5 h SER 164 N 0.73 1.01 -0.39 4.18 0.87 -0.81 -1.55 113.55 117.59 1mg5 h SER 164 Ca 0.14 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 1mg5 h SER 164 Cb 0.49 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1mg5 h SER 164 CO 0.02 0.69 -0.22 0.28 -0.53 0.00 0.00 176.83 177.07 1mg5 h SER 165 N 1.17 0.91 -0.77 6.23 0.02 -0.57 -2.58 113.55 117.96 1mg5 h SER 165 Ca 0.37 -0.34 0.08 0.00 -0.84 0.00 0.00 61.79 61.06 1mg5 h SER 165 Cb 0.03 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.25 1mg5 h SER 165 CO -0.12 1.09 0.45 -0.07 -1.14 0.00 0.00 176.83 177.04 1mg5 h LEU 166 N 0.77 0.66 -1.19 5.07 3.38 -0.10 -2.09 115.31 121.81 1mg5 h LEU 166 Ca 0.10 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1mg5 h LEU 166 Cb 0.77 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1mg5 h LEU 166 CO 0.06 0.40 0.30 0.00 0.09 0.00 0.00 178.44 179.29 1mg5 h ALA 167 N 1.41 1.37 0.00 1.53 0.00 -1.05 -1.25 119.26 121.27 1mg5 h ALA 167 Ca 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1mg5 h ALA 167 Cb 0.26 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1mg5 h ALA 167 CO -0.21 0.50 -0.02 0.87 0.00 0.00 0.00 179.25 180.38 1mg5 h LYS 168 N 0.86 0.00 -0.01 0.00 1.57 -1.01 -2.38 116.57 115.60 1mg5 h LYS 168 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1mg5 h LYS 168 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1mg5 h LYS 168 CO -0.03 0.02 -0.11 1.28 -0.57 0.00 0.00 179.45 180.04 1mg5 n LEU 169 N -3.13 1.33 -0.27 2.94 4.77 -0.50 -4.44 117.00 117.71 1mg5 n LEU 169 Ca 0.01 -0.41 0.06 0.00 -0.03 0.00 0.00 56.01 55.63 1mg5 n LEU 169 Cb 0.34 -0.05 0.20 0.00 -2.33 0.00 0.00 43.42 41.57 1mg5 n LEU 169 CO 0.28 0.23 1.04 0.00 -1.33 0.00 0.00 177.39 177.61 1mg5 h ALA 170 N 4.07 1.11 -0.39 -1.18 0.00 -1.11 0.14 119.26 121.91 1mg5 h ALA 170 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1mg5 h ALA 170 Cb 0.51 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1mg5 h ALA 170 CO 0.00 -0.18 0.26 -1.35 0.00 0.00 0.00 179.25 177.98 1mg5 h PRO 171 N 0.48 0.24 0.09 0.00 0.11 -1.82 0.26 132.00 131.36 1mg5 h PRO 171 Ca 0.43 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.35 1mg5 h PRO 171 Cb 0.63 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1mg5 h PRO 171 CO -0.39 0.16 -0.83 0.82 -0.21 0.00 0.00 178.00 177.54 1mg5 h ILE 172 N 0.25 1.39 0.00 4.15 2.04 -1.34 -3.40 117.51 120.60 1mg5 h ILE 172 Ca 0.17 -2.43 -0.19 0.00 1.00 0.00 0.00 64.86 63.42 1mg5 h ILE 172 Cb 0.37 3.03 -0.03 0.00 -0.74 0.00 0.00 36.82 39.44 1mg5 h ILE 172 CO -0.03 0.65 -1.64 0.35 0.00 0.00 0.00 178.15 177.48 1mg5 n THR 173 N -4.21 1.12 -0.73 -0.27 -2.24 -0.51 -4.46 114.28 102.98 1mg5 n THR 173 Ca -0.18 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1mg5 n THR 173 Cb 0.75 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.44 0.75 3.33 3.38 0.00 0.90 -0.71 105.19 114.28 1mg5 n GLY 174 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.72 3.55 0.50 1.61 1.01 -1.25 -2.52 120.40 120.58 1mg5 s VAL 175 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1mg5 s VAL 175 Cb 0.00 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 1mg5 s VAL 175 CO 0.00 0.39 0.76 0.42 0.00 0.00 0.00 175.10 176.67 1mg5 s THR 176 N 1.50 3.96 0.06 3.92 -4.23 -0.60 -4.02 115.64 116.24 1mg5 s THR 176 Ca 0.06 -0.26 -0.26 0.00 -1.18 0.00 0.00 61.69 60.04 1mg5 s THR 176 Cb -0.15 -3.51 0.08 0.00 1.34 0.00 0.00 72.50 70.26 1mg5 s THR 176 CO -0.02 -0.43 0.67 0.00 -0.54 0.00 0.00 174.62 174.30 1mg5 s ALA 177 N -2.72 -1.69 0.16 3.99 0.00 -1.26 -0.76 121.76 119.48 1mg5 s ALA 177 Ca 0.50 0.85 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 1mg5 s ALA 177 Cb -0.10 0.49 0.07 0.00 0.00 0.00 0.00 23.12 23.58 1mg5 s ALA 177 CO 0.41 -0.61 0.63 1.52 0.00 0.00 0.00 175.76 177.70 1mg5 s TYR 178 N -2.76 -0.50 0.02 0.00 -0.85 -0.86 -0.53 117.35 111.88 1mg5 s TYR 178 Ca -0.03 0.26 0.02 0.00 -0.52 0.00 0.00 57.07 56.81 1mg5 s TYR 178 Cb -0.01 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.87 1mg5 s TYR 178 CO -0.05 -0.87 0.01 0.95 -1.52 0.00 0.00 175.55 174.07 1mg5 s THR 179 N -3.74 4.19 -0.24 -3.49 -4.23 -0.91 -1.43 115.64 105.78 1mg5 s THR 179 Ca 0.02 -0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1mg5 s THR 179 Cb -0.01 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.91 1mg5 s THR 179 CO -0.11 0.31 0.01 0.68 -0.54 0.00 0.00 174.62 174.97 1mg5 s VAL 180 N -1.16 3.73 -0.44 2.29 -7.23 -0.61 -1.52 120.40 115.46 1mg5 s VAL 180 Ca 0.22 -0.46 0.02 0.00 -1.81 0.00 0.00 61.98 59.95 1mg5 s VAL 180 Cb -0.12 -2.77 0.12 0.00 0.56 0.00 0.00 36.38 34.18 1mg5 s VAL 180 CO 0.13 0.32 0.19 0.20 -0.31 0.00 0.00 175.10 175.63 1mg5 s ASN 181 N 1.52 4.76 0.60 4.85 0.01 0.33 -0.89 114.94 126.12 1mg5 s ASN 181 Ca 0.05 -2.49 -0.18 0.00 -0.71 0.00 0.00 52.86 49.52 1mg5 s ASN 181 Cb -0.15 -1.69 -0.03 0.00 0.41 0.00 0.00 41.25 39.79 1mg5 s ASN 181 CO -0.00 -0.36 1.20 -2.84 -1.51 0.00 0.00 177.10 173.59 1mg5 s PRO 182 N 0.44 2.93 0.18 -0.60 0.02 -1.26 -1.42 135.00 135.30 1mg5 s PRO 182 Ca 0.13 1.79 -0.02 0.00 0.02 0.00 0.00 61.00 62.92 1mg5 s PRO 182 Cb -0.22 -1.93 0.04 0.00 0.02 0.00 0.00 34.50 32.41 1mg5 s PRO 182 CO -0.04 -1.23 0.24 0.41 -0.33 0.00 0.00 177.00 176.05 1mg5 n GLY 183 N 0.43 -0.31 3.67 0.52 0.00 0.14 -1.80 105.19 107.85 1mg5 n GLY 183 Ca 0.13 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.07 2.99 -0.08 -0.61 -1.09 -1.26 -4.92 121.20 115.15 1mg5 s ILE 184 Ca 0.15 0.24 0.04 0.00 -2.23 0.00 0.00 60.65 58.84 1mg5 s ILE 184 Cb -0.01 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 1mg5 s ILE 184 CO 0.10 -0.01 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.70 1mg5 s THR 185 N 3.57 1.77 -0.86 2.92 2.01 -1.26 -1.52 115.64 122.27 1mg5 s THR 185 Ca 0.81 -0.86 -0.25 0.00 0.31 0.00 0.00 61.69 61.70 1mg5 s THR 185 Cb -0.41 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 1mg5 s THR 185 CO 0.36 0.50 1.71 -0.13 -0.69 0.00 0.00 174.62 176.37 1mg5 s ARG 186 N 0.35 2.93 0.35 4.92 0.52 -0.09 -4.76 118.95 123.17 1mg5 s ARG 186 Ca -0.15 -0.34 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 1mg5 s ARG 186 Cb -0.16 -4.90 -0.02 0.00 0.52 0.00 0.00 34.95 30.38 1mg5 s ARG 186 CO 0.07 -2.78 0.21 0.25 0.02 0.00 0.00 175.30 173.06 1mg5 n THR 187 N 7.29 0.00 0.37 0.02 -2.24 -1.26 -4.20 114.28 114.26 1mg5 n THR 187 Ca 0.30 -2.29 0.14 0.00 -2.27 0.00 0.00 64.05 59.93 1mg5 n THR 187 Cb 0.49 1.00 0.51 0.00 -2.10 0.00 0.00 70.33 70.23 1mg5 n THR 187 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1mg5 h THR 188 N 1.84 0.00 -0.61 4.28 1.35 -1.99 -3.11 112.91 114.68 1mg5 h THR 188 Ca -0.26 -0.45 0.09 0.00 -0.55 0.00 0.00 66.41 65.24 1mg5 h THR 188 Cb 1.15 1.34 -0.07 0.00 -1.73 0.00 0.00 68.15 68.84 1mg5 h THR 188 CO 0.40 0.00 0.24 0.25 -0.25 0.00 0.00 175.52 176.15 1mg5 h LEU 189 N 0.00 0.25 -1.90 3.87 5.85 -1.91 -2.97 115.31 118.50 1mg5 h LEU 189 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1mg5 h LEU 189 Cb 0.54 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1mg5 h LEU 189 CO 0.00 0.15 0.00 1.33 -0.34 0.00 0.00 178.44 179.58 1mg5 n VAL 190 N -4.98 0.09 -0.16 1.05 0.24 -1.18 -4.38 118.33 109.02 1mg5 n VAL 190 Ca 0.08 -0.55 -0.10 0.00 -2.04 0.00 0.00 64.34 61.74 1mg5 n VAL 190 Cb 0.26 1.35 0.03 0.00 -1.47 0.00 0.00 33.84 34.02 1mg5 n VAL 190 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1mg5 h HIS 191 N 4.10 1.09 -2.63 6.34 -0.00 -1.50 -3.44 115.15 119.13 1mg5 h HIS 191 Ca 0.00 -0.23 -0.12 0.00 -0.00 0.00 0.00 60.37 60.01 1mg5 h HIS 191 Cb 0.88 -0.27 -0.28 0.00 -0.00 0.00 0.00 27.41 27.75 1mg5 h HIS 191 CO 0.04 1.04 -0.38 0.21 -0.00 0.00 0.00 177.93 178.84 1mg5 s LYS 192 N -4.77 0.31 0.18 5.26 2.20 -1.26 -4.74 119.74 116.92 1mg5 s LYS 192 Ca -0.11 0.90 -0.19 0.00 -0.36 0.00 0.00 55.97 56.21 1mg5 s LYS 192 Cb 0.13 0.15 0.04 0.00 -1.51 0.00 0.00 37.83 36.64 1mg5 s LYS 192 CO 0.86 -0.23 0.54 -0.59 -0.36 0.00 0.00 175.35 175.57 1mg5 s PHE 193 N 2.18 -0.23 -0.23 4.03 -0.12 -1.26 -4.93 117.98 117.42 1mg5 s PHE 193 Ca -0.04 -0.09 -0.13 0.00 -0.05 0.00 0.00 56.93 56.62 1mg5 s PHE 193 Cb -0.11 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1mg5 s PHE 193 CO -0.12 -0.90 0.28 -0.80 -0.05 0.00 0.00 175.22 173.63 1mg5 s ASN 194 N -2.84 6.27 0.53 1.98 0.01 -1.26 -4.67 114.94 114.96 1mg5 s ASN 194 Ca 0.07 0.30 -0.14 0.00 -0.71 0.00 0.00 52.86 52.38 1mg5 s ASN 194 Cb -0.01 -2.17 -0.06 0.00 0.41 0.00 0.00 41.25 39.42 1mg5 s ASN 194 CO -0.06 -0.02 0.96 -0.94 -1.51 0.00 0.00 177.10 175.53 1mg5 s SER 195 N 1.11 6.48 0.15 -1.22 1.04 -1.26 -1.31 113.70 118.69 1mg5 s SER 195 Ca 0.13 1.43 -0.31 0.00 0.48 0.00 0.00 55.95 57.68 1mg5 s SER 195 Cb -0.14 -2.46 -0.10 0.00 0.10 0.00 0.00 66.02 63.42 1mg5 s SER 195 CO 0.07 -0.64 1.71 0.86 0.98 0.00 0.00 173.24 176.22 1mg5 s TRP 196 N -2.75 2.62 -0.94 5.02 -0.00 -0.97 -2.02 118.94 119.91 1mg5 s TRP 196 Ca 0.56 0.29 -0.03 0.00 -0.00 0.00 0.00 56.10 56.92 1mg5 s TRP 196 Cb -0.10 -4.08 0.02 0.00 -0.00 0.00 0.00 33.47 29.31 1mg5 s TRP 196 CO 0.38 -4.22 0.13 1.28 -0.00 0.00 0.00 176.95 174.52 1mg5 n LEU 197 N 4.78 -1.05 -4.26 5.86 4.77 -1.26 -1.36 117.00 124.48 1mg5 n LEU 197 Ca 0.16 0.09 -0.37 0.00 -0.03 0.00 0.00 56.01 55.86 1mg5 n LEU 197 Cb 0.38 -1.94 -0.04 0.00 -2.33 0.00 0.00 43.42 39.49 1mg5 n LEU 197 CO 0.64 -0.03 -0.07 0.47 -1.33 0.00 0.00 177.39 177.07 1mg5 n ASP 198 N -1.88 -2.87 0.16 -1.43 8.00 -0.86 -4.85 116.55 112.83 1mg5 n ASP 198 Ca -0.09 -1.05 0.06 0.00 0.71 0.00 0.00 54.79 54.43 1mg5 n ASP 198 Cb 0.57 -2.58 0.55 0.00 -0.02 0.00 0.00 41.12 39.64 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 1.05 -2.55 2.53 -1.51 -1.44 -3.35 116.25 109.55 1mg5 h VAL 199 Ca -0.60 -0.12 -0.58 0.00 -1.23 0.00 0.00 66.70 64.17 1mg5 h VAL 199 Cb 1.38 0.84 -0.39 0.00 -2.13 0.00 0.00 31.29 30.99 1mg5 h VAL 199 CO 0.79 0.05 -0.87 -0.70 -1.23 0.00 0.00 177.57 175.61 1mg5 s GLU 200 N -5.20 0.60 0.62 5.19 2.56 -1.26 -5.00 118.70 116.22 1mg5 s GLU 200 Ca -0.06 -1.45 0.38 0.00 0.00 0.00 0.00 54.97 53.84 1mg5 s GLU 200 Cb 0.17 -1.32 2.06 0.00 2.00 0.00 0.00 34.13 37.04 1mg5 s GLU 200 CO 0.70 -1.24 2.28 -1.35 -0.56 0.00 0.00 175.26 175.08 1mg5 h PRO 201 N 6.81 0.00 -0.60 4.30 0.11 -1.97 -1.83 132.00 138.82 1mg5 h PRO 201 Ca 0.09 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.92 1mg5 h PRO 201 Cb 0.96 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 31.90 1mg5 h PRO 201 CO 0.28 0.01 0.21 1.04 -0.21 0.00 0.00 178.00 179.33 1mg5 n GLN 202 N -3.37 2.27 -0.20 1.05 6.02 -1.26 -4.75 117.38 117.13 1mg5 n GLN 202 Ca -0.03 -3.09 -0.02 0.00 -0.01 0.00 0.00 57.00 53.85 1mg5 n GLN 202 Cb 0.11 -1.99 0.08 0.00 1.02 0.00 0.00 30.24 29.47 1mg5 n GLN 202 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1mg5 h VAL 203 N 1.25 0.94 -0.18 5.09 3.04 -1.65 -0.42 116.25 124.32 1mg5 h VAL 203 Ca 0.35 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.83 1mg5 h VAL 203 Cb 2.13 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 31.70 1mg5 h VAL 203 CO 0.66 0.11 0.08 0.00 -1.01 0.00 0.00 177.57 177.40 1mg5 h ALA 204 N 1.33 0.24 -0.21 3.17 0.00 -1.85 -0.60 119.26 121.34 1mg5 h ALA 204 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1mg5 h ALA 204 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1mg5 h ALA 204 CO -0.19 -0.19 0.13 0.93 0.00 0.00 0.00 179.25 179.94 1mg5 h GLU 205 N 0.15 0.27 -0.32 0.00 3.07 -1.79 -0.59 114.58 115.38 1mg5 h GLU 205 Ca 0.06 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1mg5 h GLU 205 Cb 0.15 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 1mg5 h GLU 205 CO -0.01 0.18 0.19 0.87 -1.40 0.00 0.00 179.01 178.84 1mg5 h LYS 206 N 0.28 0.44 -0.62 2.33 1.57 -1.02 -2.56 116.57 116.98 1mg5 h LYS 206 Ca 0.08 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1mg5 h LYS 206 Cb -0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1mg5 h LYS 206 CO -0.02 0.34 0.22 1.25 -0.57 0.00 0.00 179.45 180.67 1mg5 h LEU 207 N 0.41 0.88 0.00 2.94 5.85 -1.01 -2.84 115.31 121.54 1mg5 h LEU 207 Ca 0.12 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1mg5 h LEU 207 Cb 0.01 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1mg5 h LEU 207 CO -0.02 0.83 0.00 0.18 -0.34 0.00 0.00 178.44 179.09 1mg5 n LEU 208 N -4.42 0.00 0.07 2.25 4.32 -0.24 -2.42 117.00 116.56 1mg5 n LEU 208 Ca 0.04 0.17 0.13 0.00 -0.02 0.00 0.00 56.01 56.33 1mg5 n LEU 208 Cb 0.19 -0.17 0.45 0.00 -1.62 0.00 0.00 43.42 42.26 1mg5 n LEU 208 CO 0.40 -0.03 0.86 0.00 -1.22 0.00 0.00 177.39 177.40 1mg5 n ALA 209 N -1.17 2.38 -2.21 -1.18 0.00 -0.98 -4.80 120.51 112.54 1mg5 n ALA 209 Ca 0.15 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.34 1mg5 n ALA 209 Cb 0.16 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.18 1mg5 n ALA 209 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1mg5 s HIS 210 N -3.07 2.96 0.35 0.00 3.76 -1.02 -5.05 115.29 113.22 1mg5 s HIS 210 Ca 0.11 -0.26 -0.28 0.00 -0.15 0.00 0.00 55.06 54.48 1mg5 s HIS 210 Cb 0.15 -2.25 -0.12 0.00 1.11 0.00 0.00 32.58 31.47 1mg5 s HIS 210 CO 0.59 -0.28 1.38 -2.30 -0.85 0.00 0.00 174.74 173.27 1mg5 n PRO 211 N -1.81 2.35 -4.27 8.40 -0.02 -1.26 -5.02 135.00 133.36 1mg5 n PRO 211 Ca 0.04 0.82 -0.17 0.00 -2.02 0.00 0.00 63.50 62.17 1mg5 n PRO 211 Cb 0.59 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.03 0.06 0.17 3.45 -4.23 -1.26 -4.79 115.64 108.00 1mg5 s THR 212 Ca 0.55 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.14 1mg5 s THR 212 Cb -0.53 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1mg5 s THR 212 CO 0.62 0.00 -0.17 0.00 -0.54 0.00 0.00 174.62 174.53 1mg5 s GLN 213 N -3.72 1.26 0.66 3.99 -2.07 -0.58 -4.78 119.66 114.42 1mg5 s GLN 213 Ca 0.39 -1.42 -0.12 0.00 -1.82 0.00 0.00 55.36 52.39 1mg5 s GLN 213 Cb 0.04 -1.26 -0.01 0.00 -1.09 0.00 0.00 33.01 30.69 1mg5 s GLN 213 CO 0.21 0.25 1.06 -1.25 -1.32 0.00 0.00 175.29 174.24 1mg5 s PRO 214 N -2.91 3.06 0.44 9.60 0.04 -1.26 -0.92 135.00 143.06 1mg5 s PRO 214 Ca 0.16 1.04 0.15 0.00 0.04 0.00 0.00 61.00 62.40 1mg5 s PRO 214 Cb -0.05 -2.00 0.98 0.00 0.04 0.00 0.00 34.50 33.47 1mg5 s PRO 214 CO 0.06 -1.00 1.96 0.66 0.04 0.00 0.00 177.00 178.72 1mg5 h SER 215 N -0.32 0.00 -0.59 6.66 4.64 -1.92 -2.61 113.55 119.41 1mg5 h SER 215 Ca -0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 1mg5 h SER 215 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1mg5 h SER 215 CO 0.57 0.22 0.24 0.25 -0.87 0.00 0.00 176.83 177.24 1mg5 h LEU 216 N 0.00 0.82 -0.58 5.97 7.12 -1.92 -0.12 115.31 126.60 1mg5 h LEU 216 Ca -0.00 -0.17 -0.12 0.00 0.13 0.00 0.00 57.88 57.72 1mg5 h LEU 216 Cb 0.40 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 1mg5 h LEU 216 CO 0.03 0.77 -0.13 0.00 -0.13 0.00 0.00 178.44 178.97 1mg5 h ALA 217 N 1.09 0.78 -0.58 1.25 0.00 -1.89 -0.96 119.26 118.94 1mg5 h ALA 217 Ca 0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1mg5 h ALA 217 Cb 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1mg5 h ALA 217 CO -0.02 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.18 1mg5 h ALA 219 N 1.11 1.09 -0.47 0.00 0.00 -0.65 0.25 119.26 120.59 1mg5 h ALA 219 Ca 0.20 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1mg5 h ALA 219 Cb 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1mg5 h ALA 219 CO -0.03 0.67 0.29 0.93 0.00 0.00 0.00 179.25 181.11 1mg5 h GLU 220 N 1.20 0.56 0.00 0.00 5.08 -0.80 -2.01 114.58 118.61 1mg5 h GLU 220 Ca 0.28 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 1mg5 h GLU 220 Cb 0.16 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1mg5 h GLU 220 CO -0.03 0.37 -0.54 -0.91 -1.00 0.00 0.00 179.01 176.90 1mg5 h ASN 221 N 0.58 0.00 -0.38 1.42 2.35 -0.84 -2.09 115.58 116.61 1mg5 h ASN 221 Ca 0.18 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1mg5 h ASN 221 Cb -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1mg5 h ASN 221 CO -0.07 0.54 0.18 0.15 -1.65 0.00 0.00 177.43 176.57 1mg5 h PHE 222 N 0.00 0.56 -0.04 1.19 3.04 -0.21 0.46 116.94 121.95 1mg5 h PHE 222 Ca -0.01 -0.03 -0.19 0.00 3.98 0.00 0.00 57.97 61.72 1mg5 h PHE 222 Cb 1.16 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 1mg5 h PHE 222 CO 0.00 0.48 -0.79 0.28 -2.02 0.00 0.00 178.31 176.26 1mg5 h VAL 223 N 0.48 1.42 -0.90 1.41 2.07 -1.30 -1.93 116.25 117.50 1mg5 h VAL 223 Ca 0.13 -2.33 0.01 0.00 0.82 0.00 0.00 66.70 65.33 1mg5 h VAL 223 Cb 0.14 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1mg5 h VAL 223 CO -0.01 0.69 0.58 0.11 0.02 0.00 0.00 177.57 178.96 1mg5 h LYS 224 N 0.19 1.19 -0.53 1.57 1.57 -1.20 0.25 116.57 119.62 1mg5 h LYS 224 Ca -0.04 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1mg5 h LYS 224 Cb 1.38 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1mg5 h LYS 224 CO 0.13 0.80 0.12 0.00 -0.57 0.00 0.00 179.45 179.93 1mg5 h ALA 225 N 1.32 0.70 -0.50 3.86 0.00 -0.55 -1.26 119.26 122.83 1mg5 h ALA 225 Ca 0.33 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1mg5 h ALA 225 Cb -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1mg5 h ALA 225 CO -0.07 0.41 0.26 0.82 0.00 0.00 0.00 179.25 180.67 1mg5 h ILE 226 N 0.74 0.97 -0.03 0.00 2.04 -0.64 -2.26 117.51 118.34 1mg5 h ILE 226 Ca 0.16 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 1mg5 h ILE 226 Cb 0.36 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1mg5 h ILE 226 CO 0.00 0.09 -0.25 -0.33 0.00 0.00 0.00 178.15 177.67 1mg5 h GLU 227 N 0.51 0.05 0.00 2.37 5.08 -0.60 -1.04 114.58 120.94 1mg5 h GLU 227 Ca 0.22 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1mg5 h GLU 227 Cb 0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1mg5 h GLU 227 CO -0.14 0.30 -0.29 -0.07 -1.00 0.00 0.00 179.01 177.80 1mg5 h LEU 228 N 0.05 0.00 -3.47 1.33 3.38 -0.67 -3.45 115.31 112.48 1mg5 h LEU 228 Ca 0.01 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.47 1mg5 h LEU 228 Cb 0.46 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.25 1mg5 h LEU 228 CO 0.03 0.29 -0.97 -3.20 0.09 0.00 0.00 178.44 174.68 1mg5 n ASN 229 N -3.59 -4.54 -4.31 -0.43 4.05 -0.40 -4.93 115.26 101.11 1mg5 n ASN 229 Ca -0.01 -1.15 -0.40 0.00 0.45 0.00 0.00 54.58 53.47 1mg5 n ASN 229 Cb 0.42 -2.59 -0.11 0.00 1.23 0.00 0.00 39.78 38.73 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 -6.66 2.69 0.29 1.20 -1.52 -1.26 -5.06 119.66 109.33 1mg5 s GLN 230 Ca 0.46 -1.30 -0.30 0.00 -1.95 0.00 0.00 55.36 52.28 1mg5 s GLN 230 Cb -0.21 -3.74 -0.11 0.00 -0.22 0.00 0.00 33.01 28.73 1mg5 s GLN 230 CO 0.91 -0.84 1.56 1.21 -0.25 0.00 0.00 175.29 177.89 1mg5 s ASN 231 N 1.85 6.41 0.00 5.90 2.47 -1.26 -1.82 114.94 128.50 1mg5 s ASN 231 Ca 0.02 2.92 0.00 0.00 0.42 0.00 0.00 52.86 56.22 1mg5 s ASN 231 Cb -0.21 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 36.95 1mg5 s ASN 231 CO 0.04 -0.88 0.00 0.61 -3.72 0.00 0.00 177.10 173.15 1mg5 n GLY 232 N 2.06 1.06 3.76 1.21 0.00 0.32 -4.98 105.19 108.61 1mg5 n GLY 232 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.83 2.91 -0.69 4.61 0.00 -0.75 -4.93 121.76 119.08 1mg5 s ALA 233 Ca 0.00 1.16 0.05 0.00 0.00 0.00 0.00 51.96 53.16 1mg5 s ALA 233 Cb 0.00 -3.48 0.17 0.00 0.00 0.00 0.00 23.12 19.80 1mg5 s ALA 233 CO 0.00 -1.04 0.47 0.42 0.00 0.00 0.00 175.76 175.62 1mg5 s ILE 234 N -1.41 2.92 0.19 0.00 1.01 -1.26 -2.15 121.20 120.50 1mg5 s ILE 234 Ca 0.67 -4.15 -0.30 0.00 0.00 0.00 0.00 60.65 56.88 1mg5 s ILE 234 Cb -0.35 -2.92 -0.08 0.00 0.01 0.00 0.00 42.46 39.12 1mg5 s ILE 234 CO 0.42 -0.98 1.03 0.26 0.00 0.00 0.00 174.94 175.67 1mg5 s TRP 235 N -1.31 3.74 -0.21 3.97 0.52 -0.57 -0.64 118.94 124.44 1mg5 s TRP 235 Ca 0.24 1.74 -0.04 0.00 0.02 0.00 0.00 56.10 58.05 1mg5 s TRP 235 Cb -0.07 -3.15 -0.02 0.00 -1.15 0.00 0.00 33.47 29.08 1mg5 s TRP 235 CO -0.14 -0.15 -0.03 0.21 0.02 0.00 0.00 176.95 176.87 1mg5 s LYS 236 N -0.58 3.49 -0.77 4.98 2.20 0.48 -0.51 119.74 129.02 1mg5 s LYS 236 Ca 0.46 -0.58 -0.00 0.00 -0.36 0.00 0.00 55.97 55.49 1mg5 s LYS 236 Cb -0.27 -3.03 0.19 0.00 -1.51 0.00 0.00 37.83 33.21 1mg5 s LYS 236 CO 0.34 -0.08 0.62 -0.51 -0.36 0.00 0.00 175.35 175.35 1mg5 s LEU 237 N 1.21 5.27 -0.02 5.43 1.43 -0.50 -1.16 118.68 130.34 1mg5 s LEU 237 Ca 0.03 -3.52 0.04 0.00 -1.03 0.00 0.00 54.13 49.65 1mg5 s LEU 237 Cb -0.14 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1mg5 s LEU 237 CO -0.00 -0.21 -0.14 -0.62 0.23 0.00 0.00 176.35 175.62 1mg5 s ASP 238 N -0.24 1.66 -1.44 2.29 2.15 -1.13 -0.68 116.67 119.28 1mg5 s ASP 238 Ca 0.24 -0.26 -0.09 0.00 0.43 0.00 0.00 52.55 52.87 1mg5 s ASP 238 Cb -0.11 -0.30 0.05 0.00 -0.30 0.00 0.00 42.92 42.26 1mg5 s ASP 238 CO -0.11 0.15 0.69 0.18 -0.17 0.00 0.00 175.17 175.91 1mg5 n LEU 239 N 2.94 -2.30 0.00 -1.34 4.77 -1.26 -2.06 117.00 117.75 1mg5 n LEU 239 Ca -0.16 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1mg5 n LEU 239 Cb 0.54 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.04 1mg5 n LEU 239 CO 0.25 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1mg5 n GLY 240 N -1.47 0.60 3.66 -0.72 0.00 -1.26 -5.00 105.19 101.00 1mg5 n GLY 240 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.44 2.66 -0.27 2.61 -4.23 -0.87 -4.97 115.64 108.13 1mg5 s THR 241 Ca 0.00 -1.90 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1mg5 s THR 241 Cb 0.00 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 71.02 1mg5 s THR 241 CO 0.00 -0.18 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.66 1mg5 s LEU 242 N -3.75 3.50 0.39 4.79 2.96 -1.26 -2.86 118.68 122.45 1mg5 s LEU 242 Ca 0.36 -0.99 0.04 0.00 -0.22 0.00 0.00 54.13 53.32 1mg5 s LEU 242 Cb 0.00 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1mg5 s LEU 242 CO 0.20 -0.18 0.15 -1.61 -1.32 0.00 0.00 176.35 173.59 1mg5 s GLU 243 N 1.32 1.89 -0.01 1.98 2.02 -0.30 -4.99 118.70 120.60 1mg5 s GLU 243 Ca -0.01 -2.14 -0.01 0.00 0.02 0.00 0.00 54.97 52.83 1mg5 s GLU 243 Cb -0.18 -0.48 0.00 0.00 0.10 0.00 0.00 34.13 33.57 1mg5 s GLU 243 CO -0.03 -0.49 0.02 0.00 0.02 0.00 0.00 175.26 174.78 1mg5 s ALA 244 N -3.26 -0.05 0.10 5.21 0.00 -1.26 -0.39 121.76 122.11 1mg5 s ALA 244 Ca 0.27 -0.00 -0.23 0.00 0.00 0.00 0.00 51.96 51.99 1mg5 s ALA 244 Cb 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 1mg5 s ALA 244 CO 0.16 -0.03 0.69 0.42 0.00 0.00 0.00 175.76 177.00 1mg5 s ILE 245 N -0.17 4.60 -0.52 0.00 -1.09 0.18 -4.90 121.20 119.30 1mg5 s ILE 245 Ca -0.02 1.49 -0.17 0.00 -2.23 0.00 0.00 60.65 59.72 1mg5 s ILE 245 Cb -0.01 -4.04 0.10 0.00 -1.58 0.00 0.00 42.46 36.92 1mg5 s ILE 245 CO -0.00 0.50 0.51 -1.58 -1.23 0.00 0.00 174.94 173.14 1mg5 s GLN 246 N -0.87 3.01 0.14 2.79 0.74 -1.26 -4.58 119.66 119.63 1mg5 s GLN 246 Ca 0.33 -1.41 -0.30 0.00 0.05 0.00 0.00 55.36 54.03 1mg5 s GLN 246 Cb -0.21 -4.21 -0.08 0.00 1.10 0.00 0.00 33.01 29.62 1mg5 s GLN 246 CO 0.22 -1.24 1.28 -0.46 -0.55 0.00 0.00 175.29 174.55 1mg5 s TRP 247 N 1.92 3.34 0.25 1.67 -0.11 -1.26 -4.96 118.94 119.78 1mg5 s TRP 247 Ca 0.06 1.21 -0.30 0.00 1.22 0.00 0.00 56.10 58.30 1mg5 s TRP 247 Cb -0.26 -3.54 -0.09 0.00 -1.50 0.00 0.00 33.47 28.08 1mg5 s TRP 247 CO 0.06 -1.72 1.31 0.99 -4.62 0.00 0.00 176.95 172.97 1mg5 s THR 248 N 0.57 3.02 -1.11 5.86 2.01 -1.26 -4.94 115.64 119.78 1mg5 s THR 248 Ca 0.58 0.90 -0.18 0.00 0.31 0.00 0.00 61.69 63.31 1mg5 s THR 248 Cb -0.34 -3.57 0.11 0.00 0.01 0.00 0.00 72.50 68.71 1mg5 s THR 248 CO 0.33 0.17 1.42 -0.54 -0.69 0.00 0.00 174.62 175.31 1mg5 s LYS 249 N -0.73 3.84 0.03 4.92 1.02 -1.26 -4.78 119.74 122.77 1mg5 s LYS 249 Ca 0.54 -1.95 0.12 0.00 0.02 0.00 0.00 55.97 54.70 1mg5 s LYS 249 Cb -0.38 -5.18 -0.19 0.00 -0.52 0.00 0.00 37.83 31.56 1mg5 s LYS 249 CO 0.43 -1.96 0.88 0.45 -0.92 0.00 0.00 175.35 174.23 1mg5 h HIS 250 N 8.22 0.00 -2.65 3.18 3.86 -2.05 -3.48 115.15 122.24 1mg5 h HIS 250 Ca 0.28 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.43 1mg5 h HIS 250 Cb 0.94 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.24 1mg5 h HIS 250 CO 1.23 0.90 0.06 -0.46 0.86 0.00 0.00 177.93 180.52 1mg5 s TRP 251 N -2.70 -0.46 -0.06 2.45 -0.00 -1.26 -5.16 118.94 111.75 1mg5 s TRP 251 Ca -0.03 0.58 -0.02 0.00 -0.00 0.00 0.00 56.10 56.63 1mg5 s TRP 251 Cb 0.09 0.35 0.04 0.00 -0.00 0.00 0.00 33.47 33.95 1mg5 s TRP 251 CO 0.82 -0.63 0.12 0.34 -0.00 0.00 0.00 176.95 177.60 1mg5 s ASP 252 N -1.82 -0.04 0.46 5.86 -1.08 -1.26 -5.03 116.67 113.76 1mg5 s ASP 252 Ca -0.07 0.25 0.23 0.00 -0.52 0.00 0.00 52.55 52.44 1mg5 s ASP 252 Cb -0.01 0.13 1.12 0.00 -1.46 0.00 0.00 42.92 42.70 1mg5 s ASP 252 CO 0.00 -0.15 1.94 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 -2.06 -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 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 1mg5 n GLY 254 N -0.40 1.38 0.07 -0.77 0.00 -1.26 -5.37 105.19 98.84 1mg5 n GLY 254 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1mg5 n GLY 254 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61