#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg1 n LYS 7 N 0.00 0.00 0.00 1.61 4.81 -1.26 -4.85 118.16 118.47 1mg1 n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1mg1 n LYS 7 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1mg1 n LYS 7 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1mg1 n LEU 8 N 0.00 0.00 -4.04 3.14 7.94 -1.20 -4.84 117.00 118.00 1mg1 n LEU 8 Ca 0.00 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.65 1mg1 n LEU 8 Cb 0.00 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.78 1mg1 n LEU 8 CO 0.00 0.00 -0.48 -0.69 -1.11 0.00 0.00 177.39 175.11 1mg1 s VAL 9 N 0.00 1.21 0.04 1.96 1.01 -1.26 -1.88 120.40 121.47 1mg1 s VAL 9 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1mg1 s VAL 9 Cb 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1mg1 s VAL 9 CO 0.00 0.37 -0.08 -0.63 0.00 0.00 0.00 175.10 174.77 1mg1 s ILE 10 N 0.66 3.57 -0.09 2.22 1.01 0.62 -1.20 121.20 127.99 1mg1 s ILE 10 Ca -0.15 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.60 1mg1 s ILE 10 Cb -0.16 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.73 1mg1 s ILE 10 CO 0.04 0.30 -0.16 0.26 0.00 0.00 0.00 174.94 175.38 1mg1 s TRP 11 N -1.07 1.91 0.09 3.97 0.52 -0.79 -0.38 118.94 123.19 1mg1 s TRP 11 Ca 0.19 -0.79 -0.03 0.00 0.02 0.00 0.00 56.10 55.49 1mg1 s TRP 11 Cb -0.11 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 30.83 1mg1 s TRP 11 CO 0.10 -0.37 0.05 -1.50 0.02 0.00 0.00 176.95 175.25 1mg1 s ILE 12 N 0.65 0.16 0.20 2.03 2.07 -0.23 -0.10 121.20 125.98 1mg1 s ILE 12 Ca -0.14 -1.73 -0.30 0.00 -1.41 0.00 0.00 60.65 57.07 1mg1 s ILE 12 Cb -0.16 -1.69 -0.09 0.00 0.13 0.00 0.00 42.46 40.65 1mg1 s ILE 12 CO 0.04 -0.73 1.27 0.21 -1.91 0.00 0.00 174.94 173.82 1mg1 s ASN 13 N -2.96 6.95 0.00 4.50 3.04 -1.26 -3.96 114.94 121.25 1mg1 s ASN 13 Ca 0.13 2.36 0.05 0.00 0.04 0.00 0.00 52.86 55.44 1mg1 s ASN 13 Cb 0.07 -2.61 0.27 0.00 -1.54 0.00 0.00 41.25 37.44 1mg1 s ASN 13 CO -0.06 -0.48 0.90 0.61 -3.04 0.00 0.00 177.10 175.04 1mg1 n GLY 14 N 2.25 -0.33 1.05 1.21 0.00 -1.26 -0.93 105.19 107.19 1mg1 n GLY 14 Ca 0.05 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1mg1 n GLY 14 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mg1 n ASP 15 N -1.17 3.24 -4.86 1.61 5.75 -1.26 -4.97 116.55 114.90 1mg1 n ASP 15 Ca 0.03 -1.98 -0.27 0.00 -0.01 0.00 0.00 54.79 52.56 1mg1 n ASP 15 Cb 0.03 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 39.95 1mg1 n ASP 15 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1mg1 s LYS 16 N -1.66 2.25 -0.92 0.11 3.01 -0.10 -4.79 119.74 117.63 1mg1 s LYS 16 Ca 0.34 -2.05 -0.21 0.00 -1.01 0.00 0.00 55.97 53.03 1mg1 s LYS 16 Cb 0.21 -1.99 -0.12 0.00 -1.01 0.00 0.00 37.83 34.93 1mg1 s LYS 16 CO 0.30 -0.50 1.97 0.41 0.51 0.00 0.00 175.35 178.05 1mg1 n GLY 17 N -1.60 2.72 0.09 -3.33 0.00 -1.26 -4.72 105.19 97.09 1mg1 n GLY 17 Ca -0.05 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 1mg1 n GLY 17 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1mg1 h TYR 18 N 7.75 0.19 0.00 1.61 -0.00 -1.90 -2.52 116.97 122.10 1mg1 h TYR 18 Ca 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 58.73 59.06 1mg1 h TYR 18 Cb 0.69 -0.03 -0.00 0.00 0.00 0.00 0.00 36.73 37.39 1mg1 h TYR 18 CO 1.28 0.84 -0.02 -0.91 -0.00 0.00 0.00 178.16 179.34 1mg1 h ASN 19 N -0.51 0.00 0.40 0.10 -0.26 -1.96 0.82 115.58 114.17 1mg1 h ASN 19 Ca -0.02 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.55 1mg1 h ASN 19 Cb 0.87 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.12 1mg1 h ASN 19 CO 0.03 0.02 -0.73 1.23 -1.06 0.00 0.00 177.43 176.92 1mg1 h GLY 20 N 0.13 0.30 1.99 2.83 0.00 -1.78 -2.57 103.07 103.97 1mg1 h GLY 20 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1mg1 h GLY 20 CO 0.00 0.39 -0.25 -2.00 0.00 0.00 0.00 176.54 174.68 1mg1 h LEU 21 N 0.18 0.00 -1.16 3.11 5.85 0.11 -3.03 115.31 120.36 1mg1 h LEU 21 Ca -0.03 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1mg1 h LEU 21 Cb 1.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1mg1 h LEU 21 CO 0.12 0.24 -0.27 0.00 -0.34 0.00 0.00 178.44 178.18 1mg1 h ALA 22 N 1.76 1.30 0.35 1.25 0.00 0.80 0.35 119.26 125.07 1mg1 h ALA 22 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1mg1 h ALA 22 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1mg1 h ALA 22 CO 0.03 0.48 -0.17 0.93 0.00 0.00 0.00 179.25 180.52 1mg1 h GLU 23 N 0.21 -0.45 0.00 0.00 5.08 -1.36 -2.36 114.58 115.70 1mg1 h GLU 23 Ca 0.03 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1mg1 h GLU 23 Cb 0.60 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1mg1 h GLU 23 CO 0.04 -0.13 0.00 -0.24 -1.00 0.00 0.00 179.01 177.68 1mg1 h VAL 24 N -0.93 0.00 0.00 3.13 3.04 -1.48 0.74 116.25 120.75 1mg1 h VAL 24 Ca -0.05 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1mg1 h VAL 24 Cb 0.53 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1mg1 h VAL 24 CO 0.08 0.00 0.00 1.23 -1.01 0.00 0.00 177.57 177.87 1mg1 h GLY 25 N 0.07 0.00 0.60 3.17 0.00 -0.42 -2.92 103.07 103.57 1mg1 h GLY 25 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 1mg1 h GLY 25 CO 0.00 0.00 -1.61 0.50 0.00 0.00 0.00 176.54 175.43 1mg1 h LYS 26 N 0.00 0.26 -1.00 4.80 6.56 0.90 -3.06 116.57 125.04 1mg1 h LYS 26 Ca 0.00 -0.45 0.21 0.00 -1.06 0.00 0.00 60.65 59.35 1mg1 h LYS 26 Cb 0.73 0.17 -0.10 0.00 -0.57 0.00 0.00 32.23 32.45 1mg1 h LYS 26 CO 0.00 1.21 0.62 -0.22 -2.06 0.00 0.00 179.45 179.00 1mg1 h LYS 27 N -0.18 0.64 -0.05 3.15 3.64 -1.36 0.72 116.57 123.13 1mg1 h LYS 27 Ca -0.35 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.98 1mg1 h LYS 27 Cb 1.86 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.54 1mg1 h LYS 27 CO 0.07 0.42 -0.04 0.35 -2.27 0.00 0.00 179.45 177.98 1mg1 h PHE 28 N 0.66 0.14 0.00 1.91 3.57 -1.62 -3.33 116.94 118.26 1mg1 h PHE 28 Ca 0.57 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.03 1mg1 h PHE 28 Cb 1.04 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1mg1 h PHE 28 CO -0.00 0.56 0.00 0.39 -2.23 0.00 0.00 178.31 177.03 1mg1 n GLU 29 N -4.76 0.00 -2.80 1.11 1.02 0.17 -1.99 120.64 113.39 1mg1 n GLU 29 Ca -0.08 0.39 -0.43 0.00 -0.02 0.00 0.00 57.16 57.02 1mg1 n GLU 29 Cb 0.28 -1.12 -0.01 0.00 -0.02 0.00 0.00 31.44 30.57 1mg1 n GLU 29 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1mg1 s LYS 30 N -1.49 3.92 0.00 3.49 -0.14 -0.76 0.56 119.74 125.33 1mg1 s LYS 30 Ca 0.00 -2.12 0.00 0.00 -1.36 0.00 0.00 55.97 52.49 1mg1 s LYS 30 Cb 0.00 -5.20 0.00 0.00 -1.68 0.00 0.00 37.83 30.95 1mg1 s LYS 30 CO 0.00 -1.95 0.00 -3.47 -0.76 0.00 0.00 175.35 169.17 1mg1 n ASP 31 N 6.92 0.00 0.00 2.83 2.03 -1.23 -4.82 116.55 122.28 1mg1 n ASP 31 Ca 0.37 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1mg1 n ASP 31 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1mg1 n ASP 31 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1mg1 n THR 32 N 0.00 0.00 0.00 5.18 -1.04 -0.71 -4.97 114.28 112.74 1mg1 n THR 32 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1mg1 n THR 32 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1mg1 n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1mg1 n GLY 33 N -0.09 2.92 3.63 3.41 0.00 2.27 -4.99 105.19 112.34 1mg1 n GLY 33 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1mg1 n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mg1 s ILE 34 N -1.13 3.75 -0.20 -0.61 1.01 -1.20 -4.82 121.20 117.99 1mg1 s ILE 34 Ca 0.00 0.85 -0.29 0.00 0.00 0.00 0.00 60.65 61.21 1mg1 s ILE 34 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 1mg1 s ILE 34 CO 0.00 -0.31 1.68 -0.75 0.00 0.00 0.00 174.94 175.56 1mg1 s LYS 35 N 4.59 3.77 -0.09 2.79 2.20 -1.26 -3.40 119.74 128.35 1mg1 s LYS 35 Ca 0.69 1.76 -0.05 0.00 -0.36 0.00 0.00 55.97 58.01 1mg1 s LYS 35 Cb -0.24 -4.07 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 1mg1 s LYS 35 CO 0.28 -1.33 0.11 0.08 -0.36 0.00 0.00 175.35 174.14 1mg1 s VAL 36 N 5.37 5.21 -0.06 4.02 1.01 -1.26 -3.27 120.40 131.42 1mg1 s VAL 36 Ca 0.75 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 1mg1 s VAL 36 Cb -0.27 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.86 1mg1 s VAL 36 CO 0.30 0.57 0.00 -0.89 0.00 0.00 0.00 175.10 175.08 1mg1 s THR 37 N -1.04 0.31 -0.13 3.92 2.01 -0.79 -4.92 115.64 114.99 1mg1 s THR 37 Ca 0.16 0.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.18 1mg1 s THR 37 Cb -0.12 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 1mg1 s THR 37 CO 0.06 0.23 0.19 -0.69 -0.69 0.00 0.00 174.62 173.71 1mg1 s VAL 38 N 1.66 5.41 0.07 3.82 1.01 -1.26 -0.27 120.40 130.84 1mg1 s VAL 38 Ca -0.00 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1mg1 s VAL 38 Cb -0.13 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1mg1 s VAL 38 CO -0.04 0.54 -0.14 -1.61 0.00 0.00 0.00 175.10 173.85 1mg1 s GLU 39 N -0.49 0.82 -0.39 2.72 2.02 0.48 -4.95 118.70 118.91 1mg1 s GLU 39 Ca 0.14 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 54.19 1mg1 s GLU 39 Cb -0.12 -0.81 0.16 0.00 0.10 0.00 0.00 34.13 33.45 1mg1 s GLU 39 CO 0.03 0.18 0.28 -3.38 0.02 0.00 0.00 175.26 172.40 1mg1 s HIS 40 N -1.32 0.95 0.53 1.61 -3.43 -1.25 -1.07 115.29 111.30 1mg1 s HIS 40 Ca -0.02 -2.03 -0.03 0.00 -0.80 0.00 0.00 55.06 52.18 1mg1 s HIS 40 Cb -0.10 -0.93 0.00 0.00 -1.43 0.00 0.00 32.58 30.12 1mg1 s HIS 40 CO 0.02 -0.83 0.80 -1.25 -2.00 0.00 0.00 174.74 171.48 1mg1 s PRO 41 N 0.49 2.98 0.36 -0.38 0.05 -1.26 -4.52 135.00 132.73 1mg1 s PRO 41 Ca 0.26 -0.23 -0.20 0.00 0.05 0.00 0.00 61.00 60.88 1mg1 s PRO 41 Cb -0.08 -2.40 -0.10 0.00 0.05 0.00 0.00 34.50 31.97 1mg1 s PRO 41 CO -0.11 -0.51 0.86 -0.51 0.05 0.00 0.00 177.00 176.79 1mg1 s ASP 42 N -4.27 6.97 -1.33 6.66 1.01 -1.26 -3.63 116.67 120.83 1mg1 s ASP 42 Ca 0.51 1.57 -0.05 0.00 0.71 0.00 0.00 52.55 55.29 1mg1 s ASP 42 Cb -0.10 -2.49 0.02 0.00 1.01 0.00 0.00 42.92 41.36 1mg1 s ASP 42 CO 0.42 -0.22 1.00 0.29 0.21 0.00 0.00 175.17 176.86 1mg1 n LYS 43 N -0.21 -6.51 0.14 8.23 5.02 -1.26 -4.78 118.16 118.78 1mg1 n LYS 43 Ca 0.04 0.75 -0.14 0.00 -2.02 0.00 0.00 58.31 56.95 1mg1 n LYS 43 Cb 0.53 -5.67 -0.06 0.00 -0.02 0.00 0.00 35.03 29.81 1mg1 n LYS 43 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1mg1 h LEU 44 N -2.18 -0.86 -2.01 -0.35 5.85 -1.98 0.16 115.31 113.94 1mg1 h LEU 44 Ca -0.59 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.30 1mg1 h LEU 44 Cb 1.36 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 1mg1 h LEU 44 CO 0.56 -0.40 0.38 1.05 -0.34 0.00 0.00 178.44 179.69 1mg1 h GLU 45 N -0.56 0.00 0.08 1.25 9.09 -1.92 -1.00 114.58 121.52 1mg1 h GLU 45 Ca 0.02 0.00 -0.37 0.00 0.05 0.00 0.00 59.36 59.05 1mg1 h GLU 45 Cb 0.56 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.62 1mg1 h GLU 45 CO -0.14 0.00 -2.18 0.39 0.05 0.00 0.00 179.01 177.13 1mg1 n GLU 46 N -3.45 0.72 0.29 1.06 1.02 -0.84 -4.41 120.64 115.03 1mg1 n GLU 46 Ca 0.04 0.22 -0.16 0.00 -0.02 0.00 0.00 57.16 57.23 1mg1 n GLU 46 Cb 0.51 -1.64 -0.08 0.00 -0.02 0.00 0.00 31.44 30.21 1mg1 n GLU 46 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1mg1 h LYS 47 N 0.04 -0.70 -0.66 3.49 3.64 0.45 -3.29 116.57 119.54 1mg1 h LYS 47 Ca -0.48 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.02 1mg1 h LYS 47 Cb 1.99 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 33.87 1mg1 h LYS 47 CO 0.02 -0.42 -0.56 0.35 -2.27 0.00 0.00 179.45 176.57 1mg1 h PHE 48 N -0.83 -1.74 -0.79 1.91 3.57 -1.47 0.03 116.94 117.62 1mg1 h PHE 48 Ca -0.07 0.10 0.23 0.00 3.53 0.00 0.00 57.97 61.76 1mg1 h PHE 48 Cb 0.60 0.85 -0.03 0.00 2.79 0.00 0.00 35.95 40.16 1mg1 h PHE 48 CO -0.02 -0.44 0.61 -1.00 -2.23 0.00 0.00 178.31 175.24 1mg1 h PRO 49 N -0.22 0.00 0.04 6.41 0.13 -1.77 0.91 132.00 137.50 1mg1 h PRO 49 Ca 0.12 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.18 1mg1 h PRO 49 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1mg1 h PRO 49 CO -0.74 0.00 -0.31 1.96 -0.23 0.00 0.00 178.00 178.68 1mg1 h GLN 50 N 0.00 0.08 -0.00 0.86 4.20 -1.11 -2.85 115.11 116.28 1mg1 h GLN 50 Ca 0.37 -0.13 -0.21 0.00 0.06 0.00 0.00 58.65 58.75 1mg1 h GLN 50 Cb 1.59 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.41 1mg1 h GLN 50 CO -0.00 1.06 -0.89 -0.39 -0.67 0.00 0.00 178.83 177.94 1mg1 h VAL 51 N -0.83 1.46 -0.05 -0.54 -1.51 -0.50 -3.14 116.25 111.13 1mg1 h VAL 51 Ca -0.06 -2.54 -0.07 0.00 -1.23 0.00 0.00 66.70 62.80 1mg1 h VAL 51 Cb 1.19 2.43 -0.01 0.00 -2.13 0.00 0.00 31.29 32.77 1mg1 h VAL 51 CO 0.02 0.75 -0.30 0.00 -1.23 0.00 0.00 177.57 176.81 1mg1 h ALA 52 N 0.89 1.42 -0.03 5.19 0.00 0.69 -1.21 119.26 126.21 1mg1 h ALA 52 Ca -0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1mg1 h ALA 52 Cb 1.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1mg1 h ALA 52 CO 0.14 0.42 -0.17 0.00 0.00 0.00 0.00 179.25 179.64 1mg1 h ALA 53 N 1.62 1.65 -0.30 0.00 0.00 -1.45 -2.27 119.26 118.52 1mg1 h ALA 53 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1mg1 h ALA 53 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1mg1 h ALA 53 CO 0.04 0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.80 1mg1 n THR 54 N -4.31 0.39 -0.43 0.00 -2.24 -1.00 -4.91 114.28 101.79 1mg1 n THR 54 Ca -0.02 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1mg1 n THR 54 Cb 0.25 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1mg1 n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mg1 n GLY 55 N 1.27 0.79 0.00 3.38 0.00 -0.85 -5.04 105.19 104.74 1mg1 n GLY 55 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1mg1 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mg1 n ASP 56 N 0.00 0.00 -0.24 1.61 9.92 -0.49 -4.90 116.55 122.45 1mg1 n ASP 56 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 1mg1 n ASP 56 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 1mg1 n ASP 56 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mg1 n GLY 57 N 5.00 -2.13 3.85 0.44 0.00 -1.25 -4.15 105.19 106.95 1mg1 n GLY 57 Ca 0.00 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 1mg1 n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mg1 s PRO 58 N -0.93 3.46 0.13 1.61 0.04 -1.26 -4.98 135.00 133.08 1mg1 s PRO 58 Ca 0.00 0.87 0.01 0.00 0.04 0.00 0.00 61.00 61.92 1mg1 s PRO 58 Cb 0.00 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 1mg1 s PRO 58 CO 0.00 -0.68 1.30 -0.44 0.04 0.00 0.00 177.00 177.23 1mg1 h ASP 59 N -0.18 0.29 -4.14 6.66 5.19 -1.52 -3.39 116.42 119.33 1mg1 h ASP 59 Ca -0.45 -0.26 -0.62 0.00 -0.62 0.00 0.00 57.03 55.08 1mg1 h ASP 59 Cb 1.20 -0.09 -0.31 0.00 0.18 0.00 0.00 39.33 40.31 1mg1 h ASP 59 CO 0.60 1.11 -0.86 -0.63 -3.12 0.00 0.00 179.24 176.34 1mg1 s ILE 60 N -3.02 1.71 -0.03 0.35 1.01 -0.91 -0.50 121.20 119.80 1mg1 s ILE 60 Ca -0.03 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.80 1mg1 s ILE 60 Cb 0.09 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 1mg1 s ILE 60 CO 0.84 0.48 -0.26 -0.51 0.00 0.00 0.00 174.94 175.50 1mg1 s ILE 61 N -0.22 2.03 -0.18 2.92 1.10 -0.39 -1.88 121.20 124.58 1mg1 s ILE 61 Ca 0.01 -1.09 0.00 0.00 -0.51 0.00 0.00 60.65 59.06 1mg1 s ILE 61 Cb -0.11 -1.70 0.01 0.00 0.15 0.00 0.00 42.46 40.81 1mg1 s ILE 61 CO 0.01 0.57 -0.17 -0.36 -2.11 0.00 0.00 174.94 172.89 1mg1 s PHE 62 N -0.47 2.80 0.03 3.50 0.40 0.86 -0.35 117.98 124.74 1mg1 s PHE 62 Ca 0.06 -1.36 -0.29 0.00 -0.60 0.00 0.00 56.93 54.74 1mg1 s PHE 62 Cb -0.11 -1.93 0.10 0.00 0.51 0.00 0.00 43.02 41.59 1mg1 s PHE 62 CO 0.00 -0.67 1.11 -0.46 0.70 0.00 0.00 175.22 175.90 1mg1 s TRP 63 N 1.17 -0.12 0.52 0.36 -0.11 -0.84 -4.37 118.94 115.55 1mg1 s TRP 63 Ca 0.01 -0.06 -0.22 0.00 1.22 0.00 0.00 56.10 57.06 1mg1 s TRP 63 Cb -0.14 0.58 -0.06 0.00 -1.50 0.00 0.00 33.47 32.35 1mg1 s TRP 63 CO -0.07 -0.51 1.25 0.00 -4.62 0.00 0.00 176.95 173.01 1mg1 s ALA 64 N -2.83 2.84 0.48 5.86 0.00 -1.26 -0.45 121.76 126.41 1mg1 s ALA 64 Ca 0.12 1.12 0.21 0.00 0.00 0.00 0.00 51.96 53.41 1mg1 s ALA 64 Cb 0.01 -3.47 1.23 0.00 0.00 0.00 0.00 23.12 20.89 1mg1 s ALA 64 CO -0.02 -1.04 1.94 1.12 0.00 0.00 0.00 175.76 177.76 1mg1 h HIS 65 N 1.62 0.26 -1.01 0.00 2.07 -1.82 -3.16 115.15 113.10 1mg1 h HIS 65 Ca -0.50 0.01 0.27 0.00 -2.85 0.00 0.00 60.37 57.29 1mg1 h HIS 65 Cb 1.28 -0.08 -0.13 0.00 2.57 0.00 0.00 27.41 31.05 1mg1 h HIS 65 CO 0.49 0.09 0.60 0.38 -3.07 0.00 0.00 177.93 176.43 1mg1 h ASP 66 N 0.22 0.61 -0.67 3.10 2.03 -1.85 -1.97 116.42 117.89 1mg1 h ASP 66 Ca 0.34 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.78 1mg1 h ASP 66 Cb 1.02 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1mg1 h ASP 66 CO -0.07 0.05 0.00 -2.11 -1.03 0.00 0.00 179.24 176.08 1mg1 n ARG 67 N -4.89 2.76 0.10 4.15 1.85 -1.19 -4.32 116.66 115.12 1mg1 n ARG 67 Ca 0.28 -2.49 -0.19 0.00 -1.00 0.00 0.00 57.85 54.45 1mg1 n ARG 67 Cb 0.82 -1.59 -0.12 0.00 -1.05 0.00 0.00 32.46 30.52 1mg1 n ARG 67 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 1mg1 h PHE 68 N 3.94 0.76 -0.95 2.89 -1.00 -1.54 -3.18 116.94 117.85 1mg1 h PHE 68 Ca 0.00 -0.50 0.17 0.00 2.81 0.00 0.00 57.97 60.45 1mg1 h PHE 68 Cb 1.00 -0.05 -0.08 0.00 3.61 0.00 0.00 35.95 40.43 1mg1 h PHE 68 CO 0.51 1.37 0.60 0.78 -1.61 0.00 0.00 178.31 179.96 1mg1 h GLY 69 N 0.89 1.38 1.04 -1.45 0.00 -1.73 0.25 103.07 103.46 1mg1 h GLY 69 Ca -0.16 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 1mg1 h GLY 69 CO 0.22 0.03 -0.25 -1.33 0.00 0.00 0.00 176.54 175.20 1mg1 h GLY 70 N 0.69 0.92 1.84 4.60 0.00 -1.75 0.48 103.07 109.85 1mg1 h GLY 70 Ca 0.50 -0.87 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 1mg1 h GLY 70 CO -0.27 0.79 -0.19 -0.97 0.00 0.00 0.00 176.54 175.90 1mg1 h TYR 71 N 0.65 0.21 0.01 5.60 0.05 -1.01 0.24 116.97 122.71 1mg1 h TYR 71 Ca 0.08 -0.03 -0.27 0.00 0.05 0.00 0.00 58.73 58.56 1mg1 h TYR 71 Cb 0.83 -0.06 0.02 0.00 1.01 0.00 0.00 36.73 38.53 1mg1 h TYR 71 CO 0.06 0.39 -1.05 0.00 -1.05 0.00 0.00 178.16 176.51 1mg1 h ALA 72 N 1.62 0.14 -0.47 3.88 0.00 -0.27 0.75 119.26 124.91 1mg1 h ALA 72 Ca 0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1mg1 h ALA 72 Cb 0.46 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1mg1 h ALA 72 CO 0.03 0.70 0.14 0.37 0.00 0.00 0.00 179.25 180.48 1mg1 h GLN 73 N 0.38 0.73 0.00 0.00 4.15 0.46 0.35 115.11 121.18 1mg1 h GLN 73 Ca -0.13 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1mg1 h GLN 73 Cb 1.70 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.29 1mg1 h GLN 73 CO 0.20 0.71 0.00 0.43 -1.93 0.00 0.00 178.83 178.24 1mg1 n SER 74 N -4.52 0.00 -3.20 -0.69 7.64 0.79 -4.89 113.62 108.75 1mg1 n SER 74 Ca 0.01 -0.43 -0.12 0.00 1.01 0.00 0.00 58.87 59.35 1mg1 n SER 74 Cb 0.20 -0.11 0.05 0.00 -1.01 0.00 0.00 64.21 63.35 1mg1 n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mg1 n GLY 75 N 0.39 -1.18 0.00 0.23 0.00 0.11 -4.97 105.19 99.78 1mg1 n GLY 75 Ca 0.14 0.56 0.04 0.00 0.00 0.00 0.00 46.02 46.76 1mg1 n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mg1 n LEU 76 N -2.90 0.11 -4.50 0.99 4.77 0.25 -4.92 117.00 110.81 1mg1 n LEU 76 Ca -0.05 -0.16 -0.24 0.00 -0.03 0.00 0.00 56.01 55.53 1mg1 n LEU 76 Cb 0.59 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 1mg1 n LEU 76 CO 0.57 0.03 -0.35 -1.48 -1.33 0.00 0.00 177.39 174.83 1mg1 s LEU 77 N -3.16 2.60 0.01 2.23 2.34 -1.25 0.57 118.68 122.02 1mg1 s LEU 77 Ca -0.01 -1.24 -0.01 0.00 0.06 0.00 0.00 54.13 52.93 1mg1 s LEU 77 Cb 0.05 -0.79 -0.04 0.00 -0.56 0.00 0.00 46.19 44.85 1mg1 s LEU 77 CO 0.31 -0.33 0.14 0.00 -1.06 0.00 0.00 176.35 175.42 1mg1 s ALA 78 N -2.84 3.81 0.16 1.48 0.00 0.20 -4.36 121.76 120.21 1mg1 s ALA 78 Ca 0.32 -0.83 -0.31 0.00 0.00 0.00 0.00 51.96 51.14 1mg1 s ALA 78 Cb 0.05 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 21.34 1mg1 s ALA 78 CO 0.15 0.74 1.38 -2.00 0.00 0.00 0.00 175.76 176.03 1mg1 s GLU 79 N -1.98 4.33 0.58 0.00 2.12 -1.26 -4.49 118.70 118.00 1mg1 s GLU 79 Ca 0.27 2.12 -0.11 0.00 0.36 0.00 0.00 54.97 57.61 1mg1 s GLU 79 Cb -0.12 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1mg1 s GLU 79 CO 0.18 -0.38 0.97 0.96 -0.54 0.00 0.00 175.26 176.46 1mg1 s ILE 80 N 0.62 4.73 -0.55 -3.70 -4.36 -0.85 -5.00 121.20 112.08 1mg1 s ILE 80 Ca 0.62 0.79 0.07 0.00 -0.26 0.00 0.00 60.65 61.87 1mg1 s ILE 80 Cb -0.38 -3.85 0.27 0.00 1.25 0.00 0.00 42.46 39.75 1mg1 s ILE 80 CO 0.35 -1.03 0.73 0.35 0.24 0.00 0.00 174.94 175.58 1mg1 n THR 81 N -2.49 1.61 -2.43 8.37 -2.24 -1.26 -4.74 114.28 111.11 1mg1 n THR 81 Ca 0.05 -4.96 -0.43 0.00 -2.27 0.00 0.00 64.05 56.44 1mg1 n THR 81 Cb 0.54 -1.83 -0.02 0.00 -2.10 0.00 0.00 70.33 66.92 1mg1 n THR 81 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1mg1 s PRO 82 N -2.34 4.21 0.17 -0.78 0.02 -1.26 -4.95 135.00 130.07 1mg1 s PRO 82 Ca 0.40 1.63 -0.33 0.00 0.02 0.00 0.00 61.00 62.72 1mg1 s PRO 82 Cb 0.19 -3.77 -0.13 0.00 0.02 0.00 0.00 34.50 30.81 1mg1 s PRO 82 CO -0.06 -0.74 1.67 -0.25 -0.33 0.00 0.00 177.00 177.29 1mg1 n ASP 83 N 6.69 3.56 -0.22 2.53 8.00 -1.26 -4.69 116.55 131.15 1mg1 n ASP 83 Ca 0.14 1.06 0.22 0.00 0.71 0.00 0.00 54.79 56.92 1mg1 n ASP 83 Cb 0.45 -1.50 0.34 0.00 -0.02 0.00 0.00 41.12 40.39 1mg1 n ASP 83 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1mg1 n LYS 84 N 3.95 0.01 0.01 -1.24 4.76 -1.26 0.80 118.16 125.18 1mg1 n LYS 84 Ca 0.17 0.65 -0.08 0.00 -2.87 0.00 0.00 58.31 56.18 1mg1 n LYS 84 Cb 0.32 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 31.87 1mg1 n LYS 84 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mg1 h ALA 85 N 0.41 -0.13 -0.93 7.82 0.00 -2.01 -3.31 119.26 121.10 1mg1 h ALA 85 Ca 0.39 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 55.30 1mg1 h ALA 85 Cb 1.98 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.75 1mg1 h ALA 85 CO -0.00 -0.16 0.61 0.35 0.00 0.00 0.00 179.25 180.05 1mg1 h PHE 86 N -0.96 0.57 0.00 0.00 3.04 0.06 0.58 116.94 120.23 1mg1 h PHE 86 Ca -0.01 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1mg1 h PHE 86 Cb 0.46 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.80 1mg1 h PHE 86 CO 0.10 0.13 0.00 1.96 -2.02 0.00 0.00 178.31 178.48 1mg1 h GLN 87 N 0.41 0.00 -0.66 1.11 4.20 -1.60 -0.19 115.11 118.38 1mg1 h GLN 87 Ca 0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1mg1 h GLN 87 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1mg1 h GLN 87 CO -0.20 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.71 1mg1 n ASP 88 N -2.45 4.64 -0.03 1.46 9.92 0.20 -3.81 116.55 126.47 1mg1 n ASP 88 Ca -0.02 -2.38 -0.00 0.00 -0.53 0.00 0.00 54.79 51.86 1mg1 n ASP 88 Cb 0.05 -0.56 -0.14 0.00 -0.64 0.00 0.00 41.12 39.83 1mg1 n ASP 88 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1mg1 n LYS 89 N 1.20 0.66 -4.15 -1.24 5.02 -0.08 -4.93 118.16 114.64 1mg1 n LYS 89 Ca 0.26 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.25 1mg1 n LYS 89 Cb 0.85 -1.61 -0.08 0.00 -0.02 0.00 0.00 35.03 34.17 1mg1 n LYS 89 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1mg1 s LEU 90 N -5.27 3.41 0.13 -0.35 1.02 -1.25 -1.92 118.68 114.45 1mg1 s LEU 90 Ca -0.07 -0.23 -0.31 0.00 0.02 0.00 0.00 54.13 53.54 1mg1 s LEU 90 Cb 0.09 -2.13 -0.09 0.00 0.02 0.00 0.00 46.19 44.08 1mg1 s LEU 90 CO 0.85 0.16 1.57 -0.31 0.02 0.00 0.00 176.35 178.63 1mg1 s TYR 91 N -1.37 2.90 0.30 0.29 2.02 -0.71 -4.90 117.35 115.88 1mg1 s TYR 91 Ca 0.26 0.58 0.05 0.00 -0.37 0.00 0.00 57.07 57.59 1mg1 s TYR 91 Cb -0.11 -3.90 0.73 0.00 -0.40 0.00 0.00 41.96 38.27 1mg1 s TYR 91 CO 0.18 -3.40 1.76 -1.00 -1.57 0.00 0.00 175.55 171.52 1mg1 h PRO 92 N 7.25 0.65 0.00 -1.71 0.13 -1.93 -1.78 132.00 134.61 1mg1 h PRO 92 Ca -0.42 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1mg1 h PRO 92 Cb 1.20 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1mg1 h PRO 92 CO 0.91 0.43 -0.07 0.27 -0.23 0.00 0.00 178.00 179.31 1mg1 h PHE 93 N 0.67 0.00 0.00 1.56 -0.00 -2.00 -1.23 116.94 115.94 1mg1 h PHE 93 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.54 1mg1 h PHE 93 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.88 1mg1 h PHE 93 CO -0.03 0.07 -0.56 0.25 -0.00 0.00 0.00 178.31 178.04 1mg1 n THR 94 N -3.56 0.19 0.14 0.88 -2.24 -0.68 -3.31 114.28 105.70 1mg1 n THR 94 Ca -0.02 -0.15 -0.23 0.00 -2.27 0.00 0.00 64.05 61.38 1mg1 n THR 94 Cb 0.19 0.01 -0.15 0.00 -2.10 0.00 0.00 70.33 68.29 1mg1 n THR 94 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1mg1 h TRP 95 N 0.00 0.89 -0.21 4.78 -0.00 -1.16 -3.28 115.95 116.98 1mg1 h TRP 95 Ca 0.00 -0.64 -0.01 0.00 -0.00 0.00 0.00 58.89 58.24 1mg1 h TRP 95 Cb 0.63 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 29.74 1mg1 h TRP 95 CO 0.00 1.50 0.09 -0.44 -0.00 0.00 0.00 178.44 179.59 1mg1 h ASP 96 N 0.14 0.28 -0.03 -3.49 3.32 -1.54 -2.07 116.42 113.04 1mg1 h ASP 96 Ca -0.23 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.68 1mg1 h ASP 96 Cb 2.11 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 41.59 1mg1 h ASP 96 CO 0.26 0.35 0.52 0.00 -1.72 0.00 0.00 179.24 178.65 1mg1 h ALA 97 N 0.94 1.56 -0.07 3.45 0.00 -1.61 0.18 119.26 123.70 1mg1 h ALA 97 Ca 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1mg1 h ALA 97 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1mg1 h ALA 97 CO -0.01 -0.53 -0.09 1.33 0.00 0.00 0.00 179.25 179.95 1mg1 n VAL 98 N -2.83 2.07 -3.92 0.00 0.24 -0.80 -4.73 118.33 108.36 1mg1 n VAL 98 Ca -0.01 -2.40 -0.35 0.00 -2.04 0.00 0.00 64.34 59.54 1mg1 n VAL 98 Cb 0.56 -0.25 -0.14 0.00 -1.47 0.00 0.00 33.84 32.54 1mg1 n VAL 98 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1mg1 s ARG 99 N -2.96 2.68 -0.05 7.34 3.52 0.61 -1.95 118.95 128.13 1mg1 s ARG 99 Ca 0.36 -1.09 0.05 0.00 -0.13 0.00 0.00 55.73 54.91 1mg1 s ARG 99 Cb 0.32 -3.11 -0.02 0.00 -1.56 0.00 0.00 34.95 30.58 1mg1 s ARG 99 CO 0.02 -0.50 -0.19 -0.47 -0.81 0.00 0.00 175.30 173.35 1mg1 s TYR 100 N 1.31 2.58 -1.64 5.12 5.04 0.21 -4.61 117.35 125.36 1mg1 s TYR 100 Ca -0.02 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 1mg1 s TYR 100 Cb -0.18 -1.62 0.00 0.00 0.35 0.00 0.00 41.96 40.51 1mg1 s TYR 100 CO -0.02 0.01 0.00 0.09 -1.34 0.00 0.00 175.55 174.29 1mg1 n ASN 101 N 2.61 -5.46 -0.73 4.32 4.13 -1.26 -1.19 115.26 117.68 1mg1 n ASN 101 Ca -0.17 0.05 -0.07 0.00 1.68 0.00 0.00 54.58 56.07 1mg1 n ASN 101 Cb 0.52 -4.57 -0.01 0.00 -1.54 0.00 0.00 39.78 34.18 1mg1 n ASN 101 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mg1 n GLY 102 N -0.94 0.18 3.21 7.41 0.00 -1.26 -5.03 105.19 108.75 1mg1 n GLY 102 Ca -0.22 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 1mg1 n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mg1 s LYS 103 N -4.15 0.67 -0.05 1.61 1.02 -0.33 -5.15 119.74 113.36 1mg1 s LYS 103 Ca 0.00 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.34 1mg1 s LYS 103 Cb 0.00 0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.57 1mg1 s LYS 103 CO 0.00 -0.19 0.87 -0.51 -0.92 0.00 0.00 175.35 174.59 1mg1 s LEU 104 N -1.65 4.32 0.00 3.17 1.43 -1.26 0.66 118.68 125.35 1mg1 s LEU 104 Ca -0.10 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1mg1 s LEU 104 Cb -0.04 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1mg1 s LEU 104 CO 0.01 -0.24 0.12 2.30 0.23 0.00 0.00 176.35 178.76 1mg1 n ILE 105 N 4.02 0.00 -3.48 -0.59 -5.35 -0.82 -2.01 119.36 111.13 1mg1 n ILE 105 Ca 0.04 -0.45 -0.14 0.00 -0.27 0.00 0.00 62.75 61.93 1mg1 n ILE 105 Cb 0.51 1.03 -0.04 0.00 -1.74 0.00 0.00 39.64 39.40 1mg1 n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mg1 s ALA 106 N -0.66 -1.55 -0.31 -1.28 0.00 -1.24 -4.33 121.76 112.39 1mg1 s ALA 106 Ca 0.00 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 1mg1 s ALA 106 Cb 0.00 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1mg1 s ALA 106 CO 0.00 -0.63 0.43 0.71 0.00 0.00 0.00 175.76 176.27 1mg1 s TYR 107 N -2.99 3.22 0.33 0.00 2.02 0.15 -4.83 117.35 115.25 1mg1 s TYR 107 Ca -0.02 0.28 -0.29 0.00 -0.37 0.00 0.00 57.07 56.66 1mg1 s TYR 107 Cb -0.01 -2.72 -0.10 0.00 -0.40 0.00 0.00 41.96 38.73 1mg1 s TYR 107 CO -0.06 -0.37 1.35 -1.25 -1.57 0.00 0.00 175.55 173.65 1mg1 s PRO 108 N 2.19 4.31 -0.12 -1.71 0.04 -1.26 -0.94 135.00 137.50 1mg1 s PRO 108 Ca 0.16 2.28 -0.06 0.00 0.04 0.00 0.00 61.00 63.43 1mg1 s PRO 108 Cb -0.16 -3.06 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 1mg1 s PRO 108 CO 0.11 -0.28 -0.16 -0.89 0.04 0.00 0.00 177.00 175.83 1mg1 n ILE 109 N 0.98 0.68 -3.47 0.56 2.08 0.20 -4.81 119.36 115.59 1mg1 n ILE 109 Ca 0.01 -0.18 -0.14 0.00 0.56 0.00 0.00 62.75 63.00 1mg1 n ILE 109 Cb 0.41 -1.62 -0.04 0.00 -0.75 0.00 0.00 39.64 37.65 1mg1 n ILE 109 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1mg1 s ALA 110 N -2.23 -1.61 -0.22 -1.39 0.00 -1.12 -2.14 121.76 113.05 1mg1 s ALA 110 Ca -0.17 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.43 1mg1 s ALA 110 Cb 0.07 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.68 1mg1 s ALA 110 CO 0.22 -0.61 0.18 0.08 0.00 0.00 0.00 175.76 175.64 1mg1 s VAL 111 N -2.79 5.35 0.05 0.00 1.01 0.02 -0.39 120.40 123.65 1mg1 s VAL 111 Ca -0.03 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1mg1 s VAL 111 Cb -0.01 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1mg1 s VAL 111 CO -0.04 0.36 -0.18 -1.61 0.00 0.00 0.00 175.10 173.63 1mg1 s GLU 112 N 0.88 2.05 -0.25 2.72 2.02 0.51 -1.82 118.70 124.80 1mg1 s GLU 112 Ca 0.09 -1.00 -0.08 0.00 0.02 0.00 0.00 54.97 54.01 1mg1 s GLU 112 Cb -0.13 -2.19 0.12 0.00 0.10 0.00 0.00 34.13 32.03 1mg1 s GLU 112 CO 0.03 0.53 0.53 0.00 0.02 0.00 0.00 175.26 176.38 1mg1 s ALA 113 N -0.95 -1.62 0.65 5.21 0.00 -1.26 -2.55 121.76 121.23 1mg1 s ALA 113 Ca 0.15 1.86 -0.17 0.00 0.00 0.00 0.00 51.96 53.80 1mg1 s ALA 113 Cb -0.11 -1.60 -0.07 0.00 0.00 0.00 0.00 23.12 21.35 1mg1 s ALA 113 CO 0.06 -0.90 0.51 1.28 0.00 0.00 0.00 175.76 176.71 1mg1 n LEU 114 N 5.42 0.75 0.00 0.00 4.77 -1.26 -4.78 117.00 121.90 1mg1 n LEU 114 Ca -0.09 0.66 -0.22 0.00 -0.03 0.00 0.00 56.01 56.33 1mg1 n LEU 114 Cb 0.49 -1.19 -0.08 0.00 -2.33 0.00 0.00 43.42 40.32 1mg1 n LEU 114 CO -0.01 -3.11 -0.12 -1.20 -1.33 0.00 0.00 177.39 171.62 1mg1 n SER 115 N 0.16 -0.24 -4.31 -1.43 7.64 0.58 -4.79 113.62 111.23 1mg1 n SER 115 Ca 0.11 -3.26 -0.38 0.00 1.01 0.00 0.00 58.87 56.35 1mg1 n SER 115 Cb 0.49 1.56 -0.12 0.00 -1.01 0.00 0.00 64.21 65.13 1mg1 n SER 115 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1mg1 s LEU 116 N 0.00 4.27 -0.22 -3.43 2.96 -0.63 -2.84 118.68 118.79 1mg1 s LEU 116 Ca 0.36 -0.99 -0.08 0.00 -0.22 0.00 0.00 54.13 53.20 1mg1 s LEU 116 Cb 0.02 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1mg1 s LEU 116 CO 0.26 -0.30 0.09 -0.63 -1.32 0.00 0.00 176.35 174.44 1mg1 s ILE 117 N 1.46 4.72 0.11 6.68 1.01 0.11 -1.93 121.20 133.36 1mg1 s ILE 117 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.66 1mg1 s ILE 117 Cb -0.19 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1mg1 s ILE 117 CO 0.03 0.39 -0.12 -0.72 0.00 0.00 0.00 174.94 174.52 1mg1 s TYR 118 N 1.00 1.24 -0.62 3.97 1.13 -0.89 0.55 117.35 123.73 1mg1 s TYR 118 Ca 0.05 -0.58 -0.21 0.00 -1.41 0.00 0.00 57.07 54.92 1mg1 s TYR 118 Cb -0.14 -0.66 0.09 0.00 -1.10 0.00 0.00 41.96 40.14 1mg1 s TYR 118 CO 0.03 0.08 0.82 1.21 -2.51 0.00 0.00 175.55 175.17 1mg1 s ASN 119 N -2.35 6.18 0.61 -0.18 3.84 0.81 -0.52 114.94 123.32 1mg1 s ASN 119 Ca 0.06 -1.22 0.27 0.00 0.21 0.00 0.00 52.86 52.19 1mg1 s ASN 119 Cb -0.05 -2.35 1.35 0.00 -0.55 0.00 0.00 41.25 39.65 1mg1 s ASN 119 CO 0.02 -1.25 1.76 0.11 -2.79 0.00 0.00 177.10 174.95 1mg1 h LYS 120 N 9.35 0.00 -0.00 0.43 1.57 -1.00 0.17 116.57 127.08 1mg1 h LYS 120 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1mg1 h LYS 120 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1mg1 h LYS 120 CO 1.13 0.00 -0.02 -0.25 -0.57 0.00 0.00 179.45 179.74 1mg1 n ASP 121 N -3.45 0.03 0.00 0.86 8.00 -1.25 -2.12 116.55 118.62 1mg1 n ASP 121 Ca 0.09 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1mg1 n ASP 121 Cb 0.78 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1mg1 n ASP 121 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1mg1 n LEU 122 N -1.47 0.00 -2.89 0.64 4.77 0.42 -4.88 117.00 113.59 1mg1 n LEU 122 Ca 0.08 -0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 55.66 1mg1 n LEU 122 Cb 0.33 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1mg1 n LEU 122 CO 0.27 0.00 0.04 -0.11 -1.33 0.00 0.00 177.39 176.25 1mg1 n LEU 123 N -1.00 -2.65 -0.34 2.23 7.94 -0.19 -5.01 117.00 117.98 1mg1 n LEU 123 Ca 0.00 -3.34 0.10 0.00 -1.11 0.00 0.00 56.01 51.66 1mg1 n LEU 123 Cb 0.00 0.73 0.28 0.00 0.53 0.00 0.00 43.42 44.96 1mg1 n LEU 123 CO 0.00 1.95 1.18 -0.65 -1.11 0.00 0.00 177.39 178.75 1mg1 h PRO 124 N 4.86 0.75 -4.90 1.96 0.11 -1.65 -3.37 132.00 129.75 1mg1 h PRO 124 Ca 0.06 -0.04 -0.67 0.00 0.11 0.00 0.00 66.00 65.45 1mg1 h PRO 124 Cb 1.05 -0.17 -0.33 0.00 0.11 0.00 0.00 31.00 31.66 1mg1 h PRO 124 CO 0.16 0.49 -0.75 1.21 -0.21 0.00 0.00 178.00 178.90 1mg1 s ASN 125 N -5.47 4.29 0.63 -2.05 2.47 -1.26 -4.93 114.94 108.62 1mg1 s ASN 125 Ca -0.12 -0.93 -0.09 0.00 0.42 0.00 0.00 52.86 52.14 1mg1 s ASN 125 Cb 0.24 -1.65 -0.01 0.00 -1.45 0.00 0.00 41.25 38.38 1mg1 s ASN 125 CO 0.80 -0.13 1.00 -2.16 -3.72 0.00 0.00 177.10 172.88 1mg1 s PRO 126 N 1.30 3.22 0.11 0.43 0.05 -1.26 -5.04 135.00 133.82 1mg1 s PRO 126 Ca -0.01 0.45 -0.30 0.00 0.05 0.00 0.00 61.00 61.19 1mg1 s PRO 126 Cb -0.17 -2.13 -0.06 0.00 0.05 0.00 0.00 34.50 32.18 1mg1 s PRO 126 CO -0.05 -0.70 1.18 -2.14 0.05 0.00 0.00 177.00 175.34 1mg1 s PRO 127 N -5.15 4.48 0.02 0.56 0.02 -1.26 -4.93 135.00 128.74 1mg1 s PRO 127 Ca 0.55 1.78 0.25 0.00 0.02 0.00 0.00 61.00 63.60 1mg1 s PRO 127 Cb -0.11 -3.31 0.57 0.00 0.02 0.00 0.00 34.50 31.67 1mg1 s PRO 127 CO 0.50 -0.15 1.46 1.63 -0.33 0.00 0.00 177.00 180.11 1mg1 n LYS 128 N 3.32 0.04 -4.20 5.54 4.01 -1.26 -4.59 118.16 121.02 1mg1 n LYS 128 Ca 0.07 0.01 -0.18 0.00 -0.51 0.00 0.00 58.31 57.69 1mg1 n LYS 128 Cb 0.46 -1.53 -0.12 0.00 -0.51 0.00 0.00 35.03 33.33 1mg1 n LYS 128 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1mg1 s THR 129 N -3.02 1.08 0.14 -0.18 -4.23 -1.26 -1.31 115.64 106.86 1mg1 s THR 129 Ca 0.11 -1.24 -0.13 0.00 -1.18 0.00 0.00 61.69 59.25 1mg1 s THR 129 Cb 0.17 -1.04 0.01 0.00 1.34 0.00 0.00 72.50 72.98 1mg1 s THR 129 CO 0.68 -0.19 1.60 -0.50 -0.54 0.00 0.00 174.62 175.67 1mg1 h TRP 130 N 4.42 0.88 0.00 3.99 4.06 -0.58 -3.19 115.95 125.53 1mg1 h TRP 130 Ca -0.40 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 60.40 1mg1 h TRP 130 Cb 1.19 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 29.12 1mg1 h TRP 130 CO 0.61 0.84 0.37 0.93 -3.56 0.00 0.00 178.44 177.63 1mg1 h GLU 131 N 0.66 0.00 -0.00 0.49 3.07 -1.97 -1.96 114.58 114.87 1mg1 h GLU 131 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1mg1 h GLU 131 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1mg1 h GLU 131 CO 0.02 0.00 -0.88 -0.85 -1.40 0.00 0.00 179.01 175.90 1mg1 n GLU 132 N -2.77 0.40 -0.10 2.33 0.28 -1.20 -4.36 120.64 115.21 1mg1 n GLU 132 Ca -0.02 -0.18 0.01 0.00 -0.16 0.00 0.00 57.16 56.82 1mg1 n GLU 132 Cb 0.41 -1.47 0.30 0.00 1.43 0.00 0.00 31.44 32.11 1mg1 n GLU 132 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1mg1 h ILE 133 N 0.43 1.17 0.27 3.84 5.03 -1.51 -1.73 117.51 125.00 1mg1 h ILE 133 Ca 0.00 -0.45 0.01 0.00 -0.12 0.00 0.00 64.86 64.30 1mg1 h ILE 133 Cb 0.53 0.46 -0.04 0.00 -3.03 0.00 0.00 36.82 34.74 1mg1 h ILE 133 CO 0.00 0.19 -0.45 -0.65 -0.68 0.00 0.00 178.15 176.56 1mg1 h PRO 134 N 0.75 -0.76 0.00 2.37 0.11 -1.76 0.34 132.00 133.04 1mg1 h PRO 134 Ca 0.19 0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.31 1mg1 h PRO 134 Cb 0.04 0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1mg1 h PRO 134 CO -0.03 -0.51 -0.21 0.00 -0.21 0.00 0.00 178.00 177.04 1mg1 h ALA 135 N -0.45 1.24 -0.04 -0.75 0.00 -1.82 -2.56 119.26 114.88 1mg1 h ALA 135 Ca -0.01 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 1mg1 h ALA 135 Cb 0.75 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1mg1 h ALA 135 CO -0.17 0.27 -0.89 1.25 0.00 0.00 0.00 179.25 179.70 1mg1 h LEU 136 N 0.00 0.68 -1.80 0.00 5.85 -0.81 -2.92 115.31 116.30 1mg1 h LEU 136 Ca -0.00 -0.51 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 1mg1 h LEU 136 Cb 0.53 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1mg1 h LEU 136 CO 0.03 1.30 -0.12 -0.78 -0.34 0.00 0.00 178.44 178.52 1mg1 h ASP 137 N 0.33 0.00 0.47 1.25 3.58 0.06 -2.81 116.42 119.31 1mg1 h ASP 137 Ca -0.08 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 1mg1 h ASP 137 Cb 1.52 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.56 1mg1 h ASP 137 CO 0.16 0.12 -0.33 0.11 -2.88 0.00 0.00 179.24 176.42 1mg1 h LYS 138 N 0.00 -0.76 -0.72 0.28 1.79 -1.30 0.21 116.57 116.08 1mg1 h LYS 138 Ca -0.00 0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.57 1mg1 h LYS 138 Cb 0.23 0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 31.00 1mg1 h LYS 138 CO 0.02 -0.50 0.42 0.93 -1.08 0.00 0.00 179.45 179.24 1mg1 h GLU 139 N -0.79 0.76 -0.21 3.15 5.08 -1.51 -2.55 114.58 118.51 1mg1 h GLU 139 Ca -0.05 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.06 1mg1 h GLU 139 Cb 0.66 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1mg1 h GLU 139 CO 0.02 0.51 -0.67 -0.07 -1.00 0.00 0.00 179.01 177.80 1mg1 h LEU 140 N 0.79 0.96 -1.82 1.33 3.38 -1.41 -2.98 115.31 115.55 1mg1 h LEU 140 Ca 0.31 -0.59 0.10 0.00 0.09 0.00 0.00 57.88 57.80 1mg1 h LEU 140 Cb 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1mg1 h LEU 140 CO -0.16 1.38 0.33 0.50 0.09 0.00 0.00 178.44 180.57 1mg1 h LYS 141 N 0.59 0.20 0.00 1.13 1.63 -0.26 0.45 116.57 120.32 1mg1 h LYS 141 Ca -0.02 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 1mg1 h LYS 141 Cb 1.29 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 1mg1 h LYS 141 CO 0.14 0.13 -0.23 0.00 -3.45 0.00 0.00 179.45 176.04 1mg1 h ALA 142 N 1.76 1.06 -0.03 5.00 0.00 -1.31 -2.50 119.26 123.23 1mg1 h ALA 142 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mg1 h ALA 142 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1mg1 h ALA 142 CO -0.04 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.13 1mg1 n LYS 143 N -3.45 1.97 0.00 0.00 5.02 0.15 -4.97 118.16 116.89 1mg1 n LYS 143 Ca -0.00 -1.42 0.00 0.00 -2.02 0.00 0.00 58.31 54.87 1mg1 n LYS 143 Cb 0.41 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1mg1 n LYS 143 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mg1 n GLY 144 N 1.26 2.10 0.00 0.72 0.00 -0.68 -5.07 105.19 103.52 1mg1 n GLY 144 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1mg1 n GLY 144 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mg1 n LYS 145 N 0.00 1.17 -3.84 1.61 5.02 -1.06 -4.91 118.16 116.14 1mg1 n LYS 145 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 1mg1 n LYS 145 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1mg1 n LYS 145 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1mg1 n SER 146 N -2.48 2.07 -0.11 4.39 3.41 -0.59 -2.49 113.62 117.81 1mg1 n SER 146 Ca 0.00 -2.60 -0.20 0.00 -0.26 0.00 0.00 58.87 55.81 1mg1 n SER 146 Cb 0.00 0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 1mg1 n SER 146 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mg1 n ALA 147 N -1.71 1.24 -2.72 7.33 0.00 -1.26 -2.58 120.51 120.82 1mg1 n ALA 147 Ca -0.13 -0.91 -0.20 0.00 0.00 0.00 0.00 53.44 52.20 1mg1 n ALA 147 Cb 0.46 0.12 -0.15 0.00 0.00 0.00 0.00 19.45 19.88 1mg1 n ALA 147 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1mg1 s LEU 148 N -7.55 1.98 -0.13 0.00 2.96 -1.26 0.15 118.68 114.82 1mg1 s LEU 148 Ca -0.32 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.33 1mg1 s LEU 148 Cb 0.10 -0.53 0.05 0.00 0.50 0.00 0.00 46.19 46.31 1mg1 s LEU 148 CO 0.43 0.11 0.33 -0.32 -1.32 0.00 0.00 176.35 175.58 1mg1 s MET 149 N -0.16 0.31 0.19 1.98 1.75 -1.05 -4.91 119.30 117.41 1mg1 s MET 149 Ca 0.03 0.63 -0.23 0.00 -1.25 0.00 0.00 55.69 54.86 1mg1 s MET 149 Cb -0.05 -0.04 0.05 0.00 2.84 0.00 0.00 34.83 37.64 1mg1 s MET 149 CO -0.00 -0.14 0.76 -0.59 -0.65 0.00 0.00 175.02 174.39 1mg1 s PHE 150 N 1.16 -0.29 0.03 4.11 -0.71 -1.26 -4.12 117.98 116.90 1mg1 s PHE 150 Ca -0.08 -0.04 -0.30 0.00 -1.04 0.00 0.00 56.93 55.47 1mg1 s PHE 150 Cb -0.08 0.64 -0.09 0.00 -1.21 0.00 0.00 43.02 42.27 1mg1 s PHE 150 CO -0.09 -0.97 1.97 -1.71 -1.34 0.00 0.00 175.22 173.09 1mg1 n ASN 151 N -0.42 4.15 -0.89 1.98 5.15 -1.09 -4.60 115.26 119.54 1mg1 n ASN 151 Ca -0.08 0.90 0.07 0.00 -0.60 0.00 0.00 54.58 54.87 1mg1 n ASN 151 Cb 0.61 -1.52 0.23 0.00 -0.53 0.00 0.00 39.78 38.57 1mg1 n ASN 151 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1mg1 n LEU 152 N 7.50 3.62 -0.01 1.20 4.77 -0.93 -4.39 117.00 128.78 1mg1 n LEU 152 Ca 0.20 -2.50 -0.01 0.00 -0.03 0.00 0.00 56.01 53.67 1mg1 n LEU 152 Cb 0.40 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 1mg1 n LEU 152 CO 0.68 0.72 -0.56 0.00 -1.33 0.00 0.00 177.39 176.90 1mg1 n GLN 153 N 0.18 0.64 -3.95 3.23 1.13 -1.26 -4.74 117.38 112.60 1mg1 n GLN 153 Ca 0.18 0.11 -0.35 0.00 -1.94 0.00 0.00 57.00 55.00 1mg1 n GLN 153 Cb 0.70 -1.70 -0.14 0.00 0.11 0.00 0.00 30.24 29.20 1mg1 n GLN 153 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1mg1 s GLU 154 N -2.91 3.19 0.59 -1.09 0.41 -1.26 -4.97 118.70 112.66 1mg1 s GLU 154 Ca -0.05 -0.74 0.32 0.00 -0.41 0.00 0.00 54.97 54.09 1mg1 s GLU 154 Cb 0.09 -2.93 1.30 0.00 -1.78 0.00 0.00 34.13 30.81 1mg1 s GLU 154 CO 0.83 -0.24 1.61 -1.00 -0.49 0.00 0.00 175.26 175.96 1mg1 h PRO 155 N 8.06 0.00 -0.77 0.39 0.13 -1.88 -1.93 132.00 136.00 1mg1 h PRO 155 Ca -0.41 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.90 1mg1 h PRO 155 Cb 1.15 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 1mg1 h PRO 155 CO 0.61 0.00 0.19 -0.92 -0.23 0.00 0.00 178.00 177.64 1mg1 h TYR 156 N 0.00 0.29 -0.05 1.56 3.20 -1.95 0.28 116.97 120.30 1mg1 h TYR 156 Ca 0.46 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.29 1mg1 h TYR 156 Cb 2.34 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 40.61 1mg1 h TYR 156 CO 0.00 -0.11 -0.30 0.74 -1.64 0.00 0.00 178.16 176.84 1mg1 h PHE 157 N 0.26 0.40 0.00 -3.82 -1.00 -1.62 -3.31 116.94 107.85 1mg1 h PHE 157 Ca 0.45 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 61.05 1mg1 h PHE 157 Cb 0.80 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.30 1mg1 h PHE 157 CO -0.27 0.92 -0.12 1.79 -1.61 0.00 0.00 178.31 179.02 1mg1 h THR 158 N -0.24 0.00 -0.74 -1.55 1.35 -1.67 -3.34 112.91 106.72 1mg1 h THR 158 Ca -0.02 -0.88 0.12 0.00 -0.55 0.00 0.00 66.41 65.07 1mg1 h THR 158 Cb 0.97 1.82 -0.08 0.00 -1.73 0.00 0.00 68.15 69.12 1mg1 h THR 158 CO 0.06 0.00 0.35 -0.25 -0.25 0.00 0.00 175.52 175.43 1mg1 h TRP 159 N 0.00 0.61 -0.63 4.73 2.91 -0.53 -0.47 115.95 122.57 1mg1 h TRP 159 Ca 0.00 0.03 0.18 0.00 1.13 0.00 0.00 58.89 60.24 1mg1 h TRP 159 Cb 0.94 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 29.40 1mg1 h TRP 159 CO 0.00 0.17 0.59 -1.35 -1.03 0.00 0.00 178.44 176.82 1mg1 h PRO 160 N 0.56 0.00 0.17 2.65 0.11 -1.69 0.35 132.00 134.14 1mg1 h PRO 160 Ca 0.38 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.17 1mg1 h PRO 160 Cb 0.49 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.61 1mg1 h PRO 160 CO -0.32 0.00 -1.57 1.25 -0.21 0.00 0.00 178.00 177.15 1mg1 h LEU 161 N 0.00 0.57 -1.03 2.35 5.85 -1.35 -1.60 115.31 120.10 1mg1 h LEU 161 Ca 0.30 -0.74 -0.09 0.00 0.84 0.00 0.00 57.88 58.19 1mg1 h LEU 161 Cb 1.48 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1mg1 h LEU 161 CO -0.00 1.61 -0.24 0.40 -0.34 0.00 0.00 178.44 179.87 1mg1 h ILE 162 N 0.10 1.25 0.00 4.05 2.04 -0.08 -2.88 117.51 121.99 1mg1 h ILE 162 Ca -0.27 -1.20 -0.19 0.00 1.00 0.00 0.00 64.86 64.21 1mg1 h ILE 162 Cb 2.07 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 39.47 1mg1 h ILE 162 CO 0.20 0.38 -1.09 0.00 0.00 0.00 0.00 178.15 177.64 1mg1 h ALA 163 N 1.38 0.59 -0.35 1.87 0.00 -0.94 -2.36 119.26 119.45 1mg1 h ALA 163 Ca 0.06 -0.87 0.03 0.00 0.00 0.00 0.00 54.91 54.13 1mg1 h ALA 163 Cb 0.62 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1mg1 h ALA 163 CO 0.04 1.07 -0.21 0.00 0.00 0.00 0.00 179.25 180.15 1mg1 n ALA 164 N -2.36 -0.22 1.15 0.00 0.00 -0.98 -1.33 120.51 116.76 1mg1 n ALA 164 Ca -0.05 0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.73 1mg1 n ALA 164 Cb 0.88 0.23 0.10 0.00 0.00 0.00 0.00 19.45 20.66 1mg1 n ALA 164 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mg1 n ASP 165 N -3.77 1.40 0.00 0.00 2.03 -1.26 -4.70 116.55 110.25 1mg1 n ASP 165 Ca 0.01 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.28 1mg1 n ASP 165 Cb 0.09 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 1mg1 n ASP 165 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mg1 n GLY 166 N 0.77 1.59 3.46 0.27 0.00 -0.44 -3.56 105.19 107.26 1mg1 n GLY 166 Ca 0.08 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1mg1 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mg1 n GLY 167 N 0.00 -1.58 3.60 -0.02 0.00 -0.89 -4.77 105.19 101.53 1mg1 n GLY 167 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 1mg1 n GLY 167 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mg1 s TYR 168 N -1.93 -0.48 0.00 1.61 -0.85 -0.84 -4.40 117.35 110.47 1mg1 s TYR 168 Ca 0.65 1.00 0.00 0.00 -0.52 0.00 0.00 57.07 58.20 1mg1 s TYR 168 Cb -0.35 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.39 1mg1 s TYR 168 CO 0.58 -0.34 0.15 0.00 -1.52 0.00 0.00 175.55 174.42 1mg1 n ALA 169 N 1.46 0.00 -2.41 9.51 0.00 -1.26 -0.96 120.51 126.85 1mg1 n ALA 169 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 1mg1 n ALA 169 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.86 1mg1 n ALA 169 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1mg1 s PHE 170 N -0.29 1.97 -0.10 0.00 0.08 -1.26 -2.14 117.98 116.24 1mg1 s PHE 170 Ca 0.00 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.38 1mg1 s PHE 170 Cb 0.00 -1.24 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 1mg1 s PHE 170 CO 0.00 0.01 1.24 0.21 -0.10 0.00 0.00 175.22 176.57 1mg1 s LYS 171 N -0.72 4.30 -1.25 0.44 2.47 -0.06 -4.76 119.74 120.16 1mg1 s LYS 171 Ca 0.09 1.68 -0.18 0.00 -1.56 0.00 0.00 55.97 56.00 1mg1 s LYS 171 Cb -0.09 -3.64 0.09 0.00 -1.46 0.00 0.00 37.83 32.73 1mg1 s LYS 171 CO -0.00 -0.56 1.65 -0.47 0.16 0.00 0.00 175.35 176.12 1mg1 s TYR 172 N 2.75 2.91 -0.47 4.03 5.04 -1.26 -0.64 117.35 129.71 1mg1 s TYR 172 Ca 0.56 -1.67 -0.25 0.00 -2.44 0.00 0.00 57.07 53.27 1mg1 s TYR 172 Cb -0.24 -4.66 0.03 0.00 0.35 0.00 0.00 41.96 37.44 1mg1 s TYR 172 CO 0.19 -1.73 0.92 -1.21 -1.34 0.00 0.00 175.55 172.38 1mg1 s GLU 173 N 3.73 3.51 -0.94 4.97 2.02 0.15 -4.41 118.70 127.73 1mg1 s GLU 173 Ca 0.51 0.12 -0.07 0.00 0.02 0.00 0.00 54.97 55.54 1mg1 s GLU 173 Cb 0.02 -3.94 -0.02 0.00 0.10 0.00 0.00 34.13 30.30 1mg1 s GLU 173 CO 0.05 -1.23 0.77 0.09 0.02 0.00 0.00 175.26 174.95 1mg1 n ASN 174 N 7.16 -6.46 -1.64 -0.19 3.02 -1.26 -2.23 115.26 113.66 1mg1 n ASN 174 Ca 0.06 -0.61 -0.19 0.00 -0.03 0.00 0.00 54.58 53.81 1mg1 n ASN 174 Cb 0.48 -4.28 -0.08 0.00 -0.61 0.00 0.00 39.78 35.30 1mg1 n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mg1 n GLY 175 N -1.60 1.61 2.93 7.41 0.00 -1.26 -4.94 105.19 109.34 1mg1 n GLY 175 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1mg1 n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mg1 s LYS 176 N -3.76 0.10 0.19 1.61 2.20 -0.95 -5.13 119.74 113.99 1mg1 s LYS 176 Ca 0.00 0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 55.92 1mg1 s LYS 176 Cb 0.00 -0.16 -0.08 0.00 -1.51 0.00 0.00 37.83 36.08 1mg1 s LYS 176 CO 0.00 -0.27 1.20 0.71 -0.36 0.00 0.00 175.35 176.64 1mg1 s TYR 177 N 2.09 3.42 -0.31 4.03 2.02 -1.26 0.31 117.35 127.65 1mg1 s TYR 177 Ca -0.00 1.42 -0.13 0.00 -0.37 0.00 0.00 57.07 57.99 1mg1 s TYR 177 Cb -0.12 -3.44 -0.03 0.00 -0.40 0.00 0.00 41.96 37.97 1mg1 s TYR 177 CO -0.07 -1.24 0.25 0.34 -1.57 0.00 0.00 175.55 173.26 1mg1 s ASP 178 N 0.13 6.08 0.35 2.29 -1.08 0.18 -4.88 116.67 119.74 1mg1 s ASP 178 Ca 0.53 -0.16 0.17 0.00 -0.52 0.00 0.00 52.55 52.56 1mg1 s ASP 178 Cb -0.33 -2.14 0.57 0.00 -1.46 0.00 0.00 42.92 39.56 1mg1 s ASP 178 CO 0.37 -0.17 1.69 0.16 0.52 0.00 0.00 175.17 177.74 1mg1 h ILE 179 N 5.44 1.02 -0.00 4.11 -0.00 -1.95 -2.48 117.51 123.64 1mg1 h ILE 179 Ca -0.33 -1.70 0.00 0.00 -0.00 0.00 0.00 64.86 62.84 1mg1 h ILE 179 Cb 1.17 2.00 0.00 0.00 -0.00 0.00 0.00 36.82 39.99 1mg1 h ILE 179 CO 0.61 0.43 -0.12 0.29 -0.00 0.00 0.00 178.15 179.36 1mg1 n LYS 180 N -3.58 0.76 -3.64 0.16 5.02 -1.26 -4.41 118.16 111.20 1mg1 n LYS 180 Ca -0.00 -0.29 -0.32 0.00 -2.02 0.00 0.00 58.31 55.68 1mg1 n LYS 180 Cb 0.54 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.98 1mg1 n LYS 180 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1mg1 n ASP 181 N -0.87 3.89 -4.97 4.39 -0.08 -0.93 -5.06 116.55 112.91 1mg1 n ASP 181 Ca 0.15 -3.25 -0.21 0.00 -1.51 0.00 0.00 54.79 49.97 1mg1 n ASP 181 Cb 0.28 -0.89 0.01 0.00 2.34 0.00 0.00 41.12 42.86 1mg1 n ASP 181 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1mg1 s VAL 182 N -1.76 3.71 -0.30 5.18 1.01 -1.26 -0.88 120.40 126.11 1mg1 s VAL 182 Ca 0.30 -0.71 0.19 0.00 0.00 0.00 0.00 61.98 61.75 1mg1 s VAL 182 Cb -0.01 -3.34 0.47 0.00 0.00 0.00 0.00 36.38 33.51 1mg1 s VAL 182 CO -0.10 -0.20 1.25 0.61 0.00 0.00 0.00 175.10 176.66 1mg1 n GLY 183 N -1.98 1.82 0.18 4.51 0.00 -0.13 -4.87 105.19 104.72 1mg1 n GLY 183 Ca 0.03 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.43 1mg1 n GLY 183 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mg1 n VAL 184 N -0.86 0.00 -2.92 1.61 0.31 -1.20 -1.98 118.33 113.29 1mg1 n VAL 184 Ca -0.01 -0.09 -0.17 0.00 -0.01 0.00 0.00 64.34 64.05 1mg1 n VAL 184 Cb 0.83 0.13 -0.01 0.00 -0.91 0.00 0.00 33.84 33.88 1mg1 n VAL 184 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1mg1 n ASP 185 N -0.80 1.84 -1.13 4.52 2.03 -1.26 -4.77 116.55 116.98 1mg1 n ASP 185 Ca 0.14 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.39 1mg1 n ASP 185 Cb 0.31 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 1mg1 n ASP 185 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1mg1 n ASN 186 N 0.03 1.70 0.06 1.67 0.23 -1.26 -4.98 115.26 112.72 1mg1 n ASN 186 Ca 0.22 -0.56 -0.02 0.00 -0.53 0.00 0.00 54.58 53.68 1mg1 n ASN 186 Cb 0.68 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.37 1mg1 n ASN 186 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mg1 h ALA 187 N 0.83 -1.04 -0.99 -2.53 0.00 -1.94 -2.55 119.26 111.03 1mg1 h ALA 187 Ca 0.00 -0.03 0.35 0.00 0.00 0.00 0.00 54.91 55.23 1mg1 h ALA 187 Cb 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 17.68 1mg1 h ALA 187 CO 0.00 -1.03 0.33 0.78 0.00 0.00 0.00 179.25 179.33 1mg1 h GLY 188 N -0.16 1.84 0.51 0.00 0.00 -1.88 -0.83 103.07 102.56 1mg1 h GLY 188 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1mg1 h GLY 188 CO 0.03 -0.67 -0.32 0.00 0.00 0.00 0.00 176.54 175.57 1mg1 h ALA 189 N 1.98 -1.14 -0.28 3.60 0.00 -1.66 -1.80 119.26 119.96 1mg1 h ALA 189 Ca 0.74 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.54 1mg1 h ALA 189 Cb 1.79 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 19.95 1mg1 h ALA 189 CO -0.82 -1.11 -0.40 0.87 0.00 0.00 0.00 179.25 177.79 1mg1 h LYS 190 N -0.79 -0.37 -0.90 0.00 1.57 -0.77 -1.17 116.57 114.15 1mg1 h LYS 190 Ca -0.07 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1mg1 h LYS 190 Cb 0.63 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 32.91 1mg1 h LYS 190 CO 0.06 -0.24 -0.57 0.00 -0.57 0.00 0.00 179.45 178.13 1mg1 h ALA 191 N 0.37 -0.55 0.10 3.86 0.00 -1.17 0.21 119.26 122.08 1mg1 h ALA 191 Ca 0.12 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1mg1 h ALA 191 Cb 0.59 1.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 1mg1 h ALA 191 CO -0.48 -0.97 -0.23 0.78 0.00 0.00 0.00 179.25 178.35 1mg1 h GLY 192 N -0.07 -0.42 0.82 0.00 0.00 -0.56 -2.27 103.07 100.57 1mg1 h GLY 192 Ca 0.16 0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.79 1mg1 h GLY 192 CO -0.89 -0.20 0.25 -2.00 0.00 0.00 0.00 176.54 173.70 1mg1 h LEU 193 N -0.42 0.38 -1.22 3.11 5.85 -0.28 -1.27 115.31 121.45 1mg1 h LEU 193 Ca 0.03 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1mg1 h LEU 193 Cb 0.45 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1mg1 h LEU 193 CO -0.14 0.27 0.53 0.71 -0.34 0.00 0.00 178.44 179.47 1mg1 h THR 194 N 0.49 1.18 0.04 1.05 1.35 -0.48 0.76 112.91 117.30 1mg1 h THR 194 Ca 0.19 -0.36 -0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1mg1 h THR 194 Cb 0.07 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.52 1mg1 h THR 194 CO -0.12 0.19 -0.02 0.15 -0.25 0.00 0.00 175.52 175.48 1mg1 h PHE 195 N 1.06 -0.05 -0.35 4.73 3.04 -0.90 0.21 116.94 124.68 1mg1 h PHE 195 Ca 0.30 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.31 1mg1 h PHE 195 Cb -0.08 0.02 -0.06 0.00 2.56 0.00 0.00 35.95 38.39 1mg1 h PHE 195 CO -0.00 0.26 0.00 1.25 -2.02 0.00 0.00 178.31 177.80 1mg1 h LEU 196 N -0.37 -0.14 -0.49 0.59 5.85 -0.80 -0.56 115.31 119.39 1mg1 h LEU 196 Ca -0.01 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1mg1 h LEU 196 Cb 0.34 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1mg1 h LEU 196 CO 0.01 -0.03 0.25 0.58 -0.34 0.00 0.00 178.44 178.90 1mg1 h VAL 197 N 0.10 1.18 -0.28 1.05 2.07 -0.76 -1.33 116.25 118.28 1mg1 h VAL 197 Ca 0.17 -0.51 0.08 0.00 0.82 0.00 0.00 66.70 67.27 1mg1 h VAL 197 Cb 0.23 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1mg1 h VAL 197 CO -0.29 0.20 0.24 0.44 0.02 0.00 0.00 177.57 178.19 1mg1 h ASP 198 N 0.65 0.00 -0.51 0.57 3.32 0.35 0.58 116.42 121.37 1mg1 h ASP 198 Ca 0.17 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1mg1 h ASP 198 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1mg1 h ASP 198 CO -0.02 0.00 -0.18 0.25 -1.72 0.00 0.00 179.24 177.56 1mg1 h LEU 199 N 0.00 1.04 0.15 1.55 5.85 0.05 0.48 115.31 124.44 1mg1 h LEU 199 Ca 0.13 -0.38 -0.31 0.00 0.84 0.00 0.00 57.88 58.16 1mg1 h LEU 199 Cb 0.62 -0.28 0.03 0.00 0.37 0.00 0.00 40.66 41.40 1mg1 h LEU 199 CO -0.00 1.18 -1.31 0.40 -0.34 0.00 0.00 178.44 178.37 1mg1 h ILE 200 N 0.88 1.29 -0.79 4.05 2.04 -0.42 -0.15 117.51 124.41 1mg1 h ILE 200 Ca 0.12 -2.56 0.06 0.00 1.00 0.00 0.00 64.86 63.48 1mg1 h ILE 200 Cb 0.76 2.80 -0.05 0.00 -0.74 0.00 0.00 36.82 39.59 1mg1 h ILE 200 CO 0.06 0.77 0.52 0.50 0.00 0.00 0.00 178.15 180.00 1mg1 h LYS 201 N 0.23 0.86 -0.80 2.37 3.64 0.06 -0.97 116.57 121.95 1mg1 h LYS 201 Ca -0.21 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 1mg1 h LYS 201 Cb 1.99 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 33.60 1mg1 h LYS 201 CO 0.25 0.57 0.05 0.09 -2.27 0.00 0.00 179.45 178.13 1mg1 n ASN 202 N -4.48 3.59 -1.03 4.20 5.03 0.15 -4.90 115.26 117.82 1mg1 n ASN 202 Ca 0.11 -2.56 -0.13 0.00 0.87 0.00 0.00 54.58 52.87 1mg1 n ASN 202 Cb 0.20 -0.61 -0.06 0.00 -1.02 0.00 0.00 39.78 38.29 1mg1 n ASN 202 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1mg1 n LYS 203 N 0.24 -1.64 0.10 3.52 4.01 -0.37 -4.80 118.16 119.23 1mg1 n LYS 203 Ca 0.18 0.94 0.01 0.00 -0.51 0.00 0.00 58.31 58.93 1mg1 n LYS 203 Cb 0.82 -5.32 -0.02 0.00 -0.51 0.00 0.00 35.03 30.00 1mg1 n LYS 203 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1mg1 h HIS 204 N 0.00 0.00 -4.00 2.13 3.86 -1.24 -3.47 115.15 112.43 1mg1 h HIS 204 Ca -0.27 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.74 1mg1 h HIS 204 Cb 1.19 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.47 1mg1 h HIS 204 CO 0.58 0.53 -0.70 1.41 0.86 0.00 0.00 177.93 180.61 1mg1 s MET 205 N -2.95 0.55 0.41 2.45 -2.45 -0.85 -4.83 119.30 111.62 1mg1 s MET 205 Ca 0.01 -0.93 0.08 0.00 -1.25 0.00 0.00 55.69 53.60 1mg1 s MET 205 Cb 0.08 -0.05 -0.01 0.00 1.25 0.00 0.00 34.83 36.10 1mg1 s MET 205 CO 0.77 -0.03 0.47 -0.80 1.05 0.00 0.00 175.02 176.48 1mg1 s ASN 206 N -2.13 5.42 -0.01 1.11 -0.87 -1.26 -4.23 114.94 112.96 1mg1 s ASN 206 Ca -0.04 -0.53 0.03 0.00 -1.57 0.00 0.00 52.86 50.75 1mg1 s ASN 206 Cb -0.03 -0.69 -0.05 0.00 -0.02 0.00 0.00 41.25 40.46 1mg1 s ASN 206 CO -0.03 -0.66 0.05 0.00 -2.57 0.00 0.00 177.10 173.88 1mg1 n ALA 207 N -1.68 2.05 1.69 0.60 0.00 -1.26 -4.44 120.51 117.47 1mg1 n ALA 207 Ca 0.05 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1mg1 n ALA 207 Cb 0.60 -0.01 0.78 0.00 0.00 0.00 0.00 19.45 20.82 1mg1 n ALA 207 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mg1 n ASP 208 N -1.78 0.00 -4.72 0.00 -0.08 -1.26 -4.82 116.55 103.89 1mg1 n ASP 208 Ca -0.02 -0.87 -0.42 0.00 -1.51 0.00 0.00 54.79 51.98 1mg1 n ASP 208 Cb 0.26 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.69 1mg1 n ASP 208 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1mg1 s THR 209 N -2.00 3.88 0.00 5.18 2.01 -1.26 -5.04 115.64 118.40 1mg1 s THR 209 Ca 0.40 1.42 0.00 0.00 0.31 0.00 0.00 61.69 63.81 1mg1 s THR 209 Cb 0.18 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1mg1 s THR 209 CO 0.30 0.15 0.00 -0.90 -0.69 0.00 0.00 174.62 173.48 1mg1 n ASP 210 N 3.46 0.00 -0.05 3.53 5.68 -1.26 -2.18 116.55 125.73 1mg1 n ASP 210 Ca 0.07 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.35 1mg1 n ASP 210 Cb 0.46 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1mg1 n ASP 210 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1mg1 h TYR 211 N 0.00 0.00 -0.08 2.11 5.03 -1.92 -2.84 116.97 119.27 1mg1 h TYR 211 Ca 0.00 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.33 1mg1 h TYR 211 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 1mg1 h TYR 211 CO 0.00 0.00 0.07 1.03 -1.32 0.00 0.00 178.16 177.94 1mg1 h SER 212 N -0.82 0.00 -0.05 -2.11 0.87 -1.99 0.78 113.55 110.24 1mg1 h SER 212 Ca 0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1mg1 h SER 212 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1mg1 h SER 212 CO 0.00 0.00 -0.29 0.40 -0.53 0.00 0.00 176.83 176.41 1mg1 h ILE 213 N 0.00 1.45 -0.04 2.23 1.08 -1.97 -2.14 117.51 118.12 1mg1 h ILE 213 Ca 0.04 -1.74 -0.20 0.00 -0.39 0.00 0.00 64.86 62.57 1mg1 h ILE 213 Cb 0.17 2.41 -0.00 0.00 -3.07 0.00 0.00 36.82 36.33 1mg1 h ILE 213 CO -0.00 0.49 -0.83 0.00 -0.69 0.00 0.00 178.15 177.12 1mg1 h ALA 214 N 0.40 0.49 0.04 1.87 0.00 -1.19 -2.95 119.26 117.93 1mg1 h ALA 214 Ca -0.02 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1mg1 h ALA 214 Cb 0.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1mg1 h ALA 214 CO 0.06 0.80 -0.02 1.49 0.00 0.00 0.00 179.25 181.58 1mg1 h GLU 215 N 0.24 -0.06 -0.02 0.00 4.81 0.49 -2.75 114.58 117.29 1mg1 h GLU 215 Ca -0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1mg1 h GLU 215 Cb 1.43 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 1mg1 h GLU 215 CO 0.14 0.31 -0.01 0.00 -0.73 0.00 0.00 179.01 178.71 1mg1 h ALA 216 N 0.51 1.94 -0.03 2.92 0.00 -1.46 -2.16 119.26 120.98 1mg1 h ALA 216 Ca -0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1mg1 h ALA 216 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1mg1 h ALA 216 CO 0.01 0.05 -0.26 0.00 0.00 0.00 0.00 179.25 179.04 1mg1 h ALA 217 N 1.96 0.08 -0.57 0.00 0.00 -1.48 -1.82 119.26 117.43 1mg1 h ALA 217 Ca 0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1mg1 h ALA 217 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1mg1 h ALA 217 CO 0.00 0.11 0.16 0.35 0.00 0.00 0.00 179.25 179.87 1mg1 h PHE 218 N -0.34 0.93 0.00 0.00 3.04 -1.37 0.32 116.94 119.51 1mg1 h PHE 218 Ca -0.02 -0.10 -0.04 0.00 3.98 0.00 0.00 57.97 61.79 1mg1 h PHE 218 Cb 0.95 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 1mg1 h PHE 218 CO 0.15 0.78 -0.17 -0.91 -2.02 0.00 0.00 178.31 176.15 1mg1 h ASN 219 N 0.80 0.00 0.15 0.41 -0.26 -1.46 -1.91 115.58 113.31 1mg1 h ASN 219 Ca 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1mg1 h ASN 219 Cb 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1mg1 h ASN 219 CO -0.00 0.17 -0.21 0.29 -1.06 0.00 0.00 177.43 176.61 1mg1 n LYS 220 N -3.40 1.10 -1.04 0.81 5.02 -0.69 -4.89 118.16 115.08 1mg1 n LYS 220 Ca -0.00 -0.68 -0.01 0.00 -2.02 0.00 0.00 58.31 55.59 1mg1 n LYS 220 Cb 0.37 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.88 1mg1 n LYS 220 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mg1 n GLY 221 N 1.31 0.50 0.14 0.72 0.00 -0.72 -4.92 105.19 102.23 1mg1 n GLY 221 Ca 0.13 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.56 1mg1 n GLY 221 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1mg1 h GLU 222 N 0.26 0.00 -4.36 1.61 5.08 -0.60 -3.45 114.58 113.12 1mg1 h GLU 222 Ca -0.03 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1mg1 h GLU 222 Cb 0.11 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.18 1mg1 h GLU 222 CO 0.04 0.00 -0.70 0.99 -1.00 0.00 0.00 179.01 178.34 1mg1 s THR 223 N -3.18 0.39 -0.11 1.13 2.01 -1.19 -1.55 115.64 113.14 1mg1 s THR 223 Ca 0.09 -1.42 0.16 0.00 0.31 0.00 0.00 61.69 60.83 1mg1 s THR 223 Cb 0.10 -1.01 -0.18 0.00 0.01 0.00 0.00 72.50 71.42 1mg1 s THR 223 CO 0.58 -0.68 0.67 0.00 -0.69 0.00 0.00 174.62 174.49 1mg1 n ALA 224 N 0.80 1.84 -2.45 7.40 0.00 -1.06 -4.66 120.51 122.38 1mg1 n ALA 224 Ca -0.18 -0.69 -0.22 0.00 0.00 0.00 0.00 53.44 52.35 1mg1 n ALA 224 Cb 0.58 -0.82 -0.11 0.00 0.00 0.00 0.00 19.45 19.10 1mg1 n ALA 224 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1mg1 s MET 225 N -2.84 1.64 -0.13 0.00 -1.94 0.40 -0.14 119.30 116.30 1mg1 s MET 225 Ca -0.05 -1.89 -0.32 0.00 -1.71 0.00 0.00 55.69 51.72 1mg1 s MET 225 Cb 0.08 -0.96 0.13 0.00 2.01 0.00 0.00 34.83 36.09 1mg1 s MET 225 CO 0.82 -0.13 1.07 -0.08 -0.01 0.00 0.00 175.02 176.69 1mg1 s THR 226 N -3.21 0.00 -0.14 2.05 -1.32 0.19 -2.52 115.64 110.68 1mg1 s THR 226 Ca 0.35 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.84 1mg1 s THR 226 Cb 0.08 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.08 1mg1 s THR 226 CO 0.15 0.00 -0.18 -0.63 -2.21 0.00 0.00 174.62 171.75 1mg1 s ILE 227 N -2.42 1.78 0.07 5.08 1.01 -1.26 0.08 121.20 125.54 1mg1 s ILE 227 Ca 0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 1mg1 s ILE 227 Cb -0.01 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.86 1mg1 s ILE 227 CO -0.06 0.50 0.15 -3.20 0.00 0.00 0.00 174.94 172.33 1mg1 n ASN 228 N 4.35 -0.44 -4.55 3.58 4.05 -1.13 -4.75 115.26 116.37 1mg1 n ASN 228 Ca -0.19 -1.30 -0.26 0.00 0.45 0.00 0.00 54.58 53.28 1mg1 n ASN 228 Cb 0.51 0.72 -0.11 0.00 1.23 0.00 0.00 39.78 42.14 1mg1 n ASN 228 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1mg1 s GLY 229 N -1.40 2.31 0.09 8.20 0.00 -1.26 -0.30 107.32 114.96 1mg1 s GLY 229 Ca 0.03 -2.19 -0.18 0.00 0.00 0.00 0.00 44.72 42.38 1mg1 s GLY 229 CO 0.02 -2.00 0.90 -1.05 0.00 0.00 0.00 173.10 170.97 1mg1 n PRO 230 N -0.85 -0.25 -0.51 2.90 -0.02 -1.26 -1.15 135.00 133.86 1mg1 n PRO 230 Ca -0.04 0.88 0.39 0.00 -2.02 0.00 0.00 63.50 62.71 1mg1 n PRO 230 Cb 0.66 -1.29 0.62 0.00 -0.02 0.00 0.00 33.50 33.46 1mg1 n PRO 230 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1mg1 n TRP 231 N -4.73 0.14 0.02 6.00 2.14 -0.52 -0.48 117.44 120.00 1mg1 n TRP 231 Ca 0.01 0.14 -0.13 0.00 2.07 0.00 0.00 57.50 59.60 1mg1 n TRP 231 Cb 0.15 -0.53 -0.09 0.00 -0.81 0.00 0.00 31.31 30.03 1mg1 n TRP 231 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1mg1 h ALA 232 N 0.89 -0.09 -0.50 -1.67 0.00 -1.44 -3.33 119.26 113.12 1mg1 h ALA 232 Ca 0.72 -0.24 0.20 0.00 0.00 0.00 0.00 54.91 55.60 1mg1 h ALA 232 Cb 2.78 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 20.51 1mg1 h ALA 232 CO -0.10 -0.30 0.24 0.91 0.00 0.00 0.00 179.25 180.00 1mg1 n TRP 233 N -4.90 0.56 0.03 0.00 8.01 0.36 -0.71 117.44 120.79 1mg1 n TRP 233 Ca -0.08 0.60 -0.13 0.00 -1.31 0.00 0.00 57.50 56.57 1mg1 n TRP 233 Cb 0.26 -1.02 -0.06 0.00 -2.01 0.00 0.00 31.31 28.47 1mg1 n TRP 233 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 1mg1 h SER 234 N 0.00 -1.28 0.37 -0.99 0.02 -1.73 -1.52 113.55 108.41 1mg1 h SER 234 Ca 0.41 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.51 1mg1 h SER 234 Cb 1.07 0.51 -0.00 0.00 0.14 0.00 0.00 62.40 64.13 1mg1 h SER 234 CO -0.40 -0.44 -0.07 0.78 -1.14 0.00 0.00 176.83 175.56 1mg1 h ASN 235 N -0.52 0.00 0.06 3.07 -0.26 -1.17 -2.49 115.58 114.27 1mg1 h ASN 235 Ca 0.06 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.53 1mg1 h ASN 235 Cb 0.63 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.92 1mg1 h ASN 235 CO -0.36 0.07 -1.10 0.40 -1.06 0.00 0.00 177.43 175.39 1mg1 h ILE 236 N 0.00 1.30 0.08 2.81 2.04 -1.44 -2.62 117.51 119.68 1mg1 h ILE 236 Ca -0.00 -2.34 0.02 0.00 1.00 0.00 0.00 64.86 63.54 1mg1 h ILE 236 Cb 0.28 2.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1mg1 h ILE 236 CO 0.01 0.71 -0.20 0.44 0.00 0.00 0.00 178.15 179.11 1mg1 h ASP 237 N 0.27 -0.58 -0.07 1.72 3.32 -0.88 -0.38 116.42 119.82 1mg1 h ASP 237 Ca -0.16 0.07 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1mg1 h ASP 237 Cb 1.77 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 41.54 1mg1 h ASP 237 CO 0.21 -0.28 0.13 0.74 -1.72 0.00 0.00 179.24 178.32 1mg1 h THR 238 N -0.37 0.24 -0.08 0.35 2.02 -1.48 -0.87 112.91 112.72 1mg1 h THR 238 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1mg1 h THR 238 Cb 0.41 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1mg1 h THR 238 CO -0.13 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.22 1mg1 n SER 239 N -3.41 1.49 -3.82 4.18 3.41 -0.18 -4.95 113.62 110.34 1mg1 n SER 239 Ca -0.01 -1.57 -0.30 0.00 -0.26 0.00 0.00 58.87 56.73 1mg1 n SER 239 Cb 0.22 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 1mg1 n SER 239 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1mg1 n LYS 240 N 0.18 -4.35 -4.15 4.33 2.85 -0.33 -4.96 118.16 111.73 1mg1 n LYS 240 Ca 0.18 0.52 -0.35 0.00 -1.05 0.00 0.00 58.31 57.61 1mg1 n LYS 240 Cb 0.33 -5.33 -0.12 0.00 -0.65 0.00 0.00 35.03 29.26 1mg1 n LYS 240 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1mg1 s VAL 241 N -3.19 3.95 -0.80 0.58 1.01 -1.24 -5.03 120.40 115.68 1mg1 s VAL 241 Ca 0.61 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 1mg1 s VAL 241 Cb -0.32 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 1mg1 s VAL 241 CO 0.75 0.45 1.68 0.21 0.00 0.00 0.00 175.10 178.18 1mg1 s ASN 242 N 0.83 5.67 0.45 3.32 2.47 -1.26 -4.81 114.94 121.61 1mg1 s ASN 242 Ca 0.00 -0.48 0.07 0.00 0.42 0.00 0.00 52.86 52.88 1mg1 s ASN 242 Cb -0.14 -2.55 0.02 0.00 -1.45 0.00 0.00 41.25 37.13 1mg1 s ASN 242 CO 0.02 -2.19 0.62 -0.72 -3.72 0.00 0.00 177.10 171.11 1mg1 s TYR 243 N 7.83 2.63 -0.07 0.43 1.13 -1.26 -0.56 117.35 127.48 1mg1 s TYR 243 Ca 0.57 -0.40 -0.06 0.00 -1.41 0.00 0.00 57.07 55.77 1mg1 s TYR 243 Cb -0.07 -2.40 0.02 0.00 -1.10 0.00 0.00 41.96 38.41 1mg1 s TYR 243 CO 0.07 -0.57 0.19 0.20 -2.51 0.00 0.00 175.55 172.93 1mg1 s GLY 244 N -4.40 -0.13 -0.17 5.49 0.00 0.32 -4.73 107.32 103.70 1mg1 s GLY 244 Ca 0.56 0.58 -0.03 0.00 0.00 0.00 0.00 44.72 45.83 1mg1 s GLY 244 CO 0.34 0.57 -0.06 0.14 0.00 0.00 0.00 173.10 174.09 1mg1 s VAL 245 N 0.30 3.53 0.31 1.40 1.01 -1.26 -2.09 120.40 123.59 1mg1 s VAL 245 Ca -0.02 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1mg1 s VAL 245 Cb -0.03 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1mg1 s VAL 245 CO -0.01 0.48 0.57 0.28 0.00 0.00 0.00 175.10 176.41 1mg1 s THR 246 N 0.72 0.00 0.62 3.92 -1.32 -0.81 -4.67 115.64 114.10 1mg1 s THR 246 Ca -0.03 -1.34 -0.17 0.00 -1.21 0.00 0.00 61.69 58.94 1mg1 s THR 246 Cb -0.15 -2.45 -0.08 0.00 -1.51 0.00 0.00 72.50 68.31 1mg1 s THR 246 CO 0.02 0.00 0.40 0.52 -2.21 0.00 0.00 174.62 173.35 1mg1 n VAL 247 N -0.47 1.78 -2.30 5.08 0.31 -1.26 -1.60 118.33 119.87 1mg1 n VAL 247 Ca -0.03 -0.47 -0.33 0.00 -0.01 0.00 0.00 64.34 63.51 1mg1 n VAL 247 Cb 0.61 -0.59 -0.02 0.00 -0.91 0.00 0.00 33.84 32.93 1mg1 n VAL 247 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1mg1 s LEU 248 N 1.22 3.63 0.89 7.52 1.43 -1.26 -4.48 118.68 127.63 1mg1 s LEU 248 Ca 0.65 1.74 -0.10 0.00 -1.03 0.00 0.00 54.13 55.39 1mg1 s LEU 248 Cb -0.41 -4.53 0.13 0.00 0.03 0.00 0.00 46.19 41.40 1mg1 s LEU 248 CO 0.58 -0.85 1.12 -2.16 0.23 0.00 0.00 176.35 175.27 1mg1 s PRO 249 N -3.88 1.27 0.33 1.29 0.04 -1.26 -4.60 135.00 128.19 1mg1 s PRO 249 Ca 0.62 1.33 0.01 0.00 0.04 0.00 0.00 61.00 63.00 1mg1 s PRO 249 Cb -0.13 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1mg1 s PRO 249 CO 0.31 -2.39 0.53 0.95 0.04 0.00 0.00 177.00 176.44 1mg1 s THR 250 N -2.74 5.12 -0.08 1.26 -4.23 -0.43 -3.09 115.64 111.45 1mg1 s THR 250 Ca 0.65 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 1mg1 s THR 250 Cb -0.21 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 69.79 1mg1 s THR 250 CO 0.58 -0.52 -0.12 0.12 -0.54 0.00 0.00 174.62 174.13 1mg1 s PHE 251 N -2.27 1.58 -1.67 3.99 5.36 0.51 0.14 117.98 125.62 1mg1 s PHE 251 Ca 0.40 -0.65 -0.15 0.00 -0.96 0.00 0.00 56.93 55.56 1mg1 s PHE 251 Cb -0.10 -1.17 0.13 0.00 -0.34 0.00 0.00 43.02 41.55 1mg1 s PHE 251 CO 0.35 -0.35 0.68 1.63 -1.46 0.00 0.00 175.22 176.07 1mg1 n LYS 252 N 4.05 -2.92 -0.69 10.12 5.02 -1.26 0.15 118.16 132.62 1mg1 n LYS 252 Ca -0.21 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1mg1 n LYS 252 Cb 0.51 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.61 1mg1 n LYS 252 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mg1 n GLY 253 N -1.52 1.40 3.66 0.72 0.00 -1.26 -5.00 105.19 103.19 1mg1 n GLY 253 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1mg1 n GLY 253 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mg1 s GLN 254 N -0.07 3.45 0.30 1.61 -1.52 0.39 -5.04 119.66 118.79 1mg1 s GLN 254 Ca 0.00 -0.38 -0.29 0.00 -1.95 0.00 0.00 55.36 52.74 1mg1 s GLN 254 Cb 0.00 -2.98 -0.10 0.00 -0.22 0.00 0.00 33.01 29.71 1mg1 s GLN 254 CO 0.00 0.51 1.30 -1.25 -0.25 0.00 0.00 175.29 175.59 1mg1 s PRO 255 N -0.31 4.38 -0.02 2.91 0.04 -1.26 0.19 135.00 140.92 1mg1 s PRO 255 Ca 0.07 2.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 1mg1 s PRO 255 Cb -0.12 -3.10 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 1mg1 s PRO 255 CO 0.02 -0.17 2.03 0.43 0.04 0.00 0.00 177.00 179.34 1mg1 n SER 256 N 1.18 3.95 -4.44 6.66 7.64 -1.18 -4.54 113.62 122.89 1mg1 n SER 256 Ca 0.01 0.75 -0.43 0.00 1.01 0.00 0.00 58.87 60.21 1mg1 n SER 256 Cb 0.42 -1.53 -0.04 0.00 -1.01 0.00 0.00 64.21 62.06 1mg1 n SER 256 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1mg1 s LYS 257 N 4.87 3.13 0.39 1.43 1.02 -0.64 -4.65 119.74 125.30 1mg1 s LYS 257 Ca 0.92 -0.94 -0.15 0.00 0.02 0.00 0.00 55.97 55.81 1mg1 s LYS 257 Cb -0.42 -4.28 -0.08 0.00 -0.52 0.00 0.00 37.83 32.52 1mg1 s LYS 257 CO 0.41 -1.79 0.82 -1.25 -0.92 0.00 0.00 175.35 172.62 1mg1 s PRO 258 N 3.84 3.98 -0.23 -1.68 0.04 -1.26 -4.00 135.00 135.69 1mg1 s PRO 258 Ca 0.22 0.74 -0.22 0.00 0.04 0.00 0.00 61.00 61.77 1mg1 s PRO 258 Cb -0.17 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 1mg1 s PRO 258 CO 0.08 0.01 0.71 -0.06 0.04 0.00 0.00 177.00 177.78 1mg1 s PHE 259 N -2.22 3.33 -0.02 0.56 0.08 -1.26 -1.95 117.98 116.50 1mg1 s PHE 259 Ca 0.56 0.99 -0.15 0.00 0.12 0.00 0.00 56.93 58.44 1mg1 s PHE 259 Cb -0.10 -2.91 -0.05 0.00 -0.57 0.00 0.00 43.02 39.39 1mg1 s PHE 259 CO 0.22 -0.29 0.41 0.54 -0.10 0.00 0.00 175.22 176.00 1mg1 s VAL 260 N 2.39 5.06 0.08 -0.44 0.11 -0.31 -4.76 120.40 122.53 1mg1 s VAL 260 Ca 0.31 0.84 0.07 0.00 -2.93 0.00 0.00 61.98 60.27 1mg1 s VAL 260 Cb -0.16 -3.72 -0.03 0.00 -1.53 0.00 0.00 36.38 30.94 1mg1 s VAL 260 CO 0.09 0.55 -0.19 -0.83 -3.33 0.00 0.00 175.10 171.38 1mg1 s GLY 261 N -0.83 1.12 -0.54 6.54 0.00 -1.06 -1.84 107.32 110.71 1mg1 s GLY 261 Ca 0.24 -1.14 -0.06 0.00 0.00 0.00 0.00 44.72 43.76 1mg1 s GLY 261 CO 0.13 -1.13 0.38 0.14 0.00 0.00 0.00 173.10 172.61 1mg1 s VAL 262 N -1.10 3.93 0.01 1.40 1.01 -1.26 -0.36 120.40 124.03 1mg1 s VAL 262 Ca 0.05 -2.31 -0.38 0.00 0.00 0.00 0.00 61.98 59.34 1mg1 s VAL 262 Cb -0.10 -3.58 -0.17 0.00 0.00 0.00 0.00 36.38 32.53 1mg1 s VAL 262 CO 0.03 -0.81 1.41 -0.11 0.00 0.00 0.00 175.10 175.63 1mg1 n LEU 263 N 4.26 1.75 -4.33 3.92 7.94 0.48 -2.77 117.00 128.25 1mg1 n LEU 263 Ca 0.01 1.11 -0.17 0.00 -1.11 0.00 0.00 56.01 55.85 1mg1 n LEU 263 Cb 0.40 -1.17 -0.10 0.00 0.53 0.00 0.00 43.42 43.08 1mg1 n LEU 263 CO 0.36 -0.95 -0.36 -0.44 -1.11 0.00 0.00 177.39 174.89 1mg1 s SER 264 N 1.08 2.05 -0.16 1.96 0.01 0.41 0.61 113.70 119.67 1mg1 s SER 264 Ca 0.87 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1mg1 s SER 264 Cb -0.99 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 65.20 1mg1 s SER 264 CO 0.51 -0.41 -0.15 0.00 0.41 0.00 0.00 173.24 173.59 1mg1 s ALA 265 N -3.29 2.49 0.35 1.44 0.00 -0.11 -1.99 121.76 120.64 1mg1 s ALA 265 Ca 0.25 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 51.23 1mg1 s ALA 265 Cb 0.04 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 1mg1 s ALA 265 CO 0.07 -0.08 0.08 0.20 0.00 0.00 0.00 175.76 176.03 1mg1 s GLY 266 N 0.90 2.07 -0.26 0.00 0.00 0.53 0.33 107.32 110.88 1mg1 s GLY 266 Ca -0.04 -1.94 -0.02 0.00 0.00 0.00 0.00 44.72 42.72 1mg1 s GLY 266 CO -0.01 -1.86 -0.04 -0.42 0.00 0.00 0.00 173.10 170.77 1mg1 s ILE 267 N -2.50 2.94 -0.28 0.90 1.09 -1.26 -1.26 121.20 120.83 1mg1 s ILE 267 Ca 0.37 -1.11 -0.40 0.00 -1.10 0.00 0.00 60.65 58.40 1mg1 s ILE 267 Cb -0.00 -2.55 -0.15 0.00 -1.06 0.00 0.00 42.46 38.69 1mg1 s ILE 267 CO 0.21 0.11 1.77 -3.20 -0.10 0.00 0.00 174.94 173.73 1mg1 n ASN 268 N 4.66 2.45 0.28 3.58 2.85 0.34 0.58 115.26 130.00 1mg1 n ASN 268 Ca -0.15 1.05 0.16 0.00 -0.11 0.00 0.00 54.58 55.53 1mg1 n ASN 268 Cb 0.46 -1.15 0.93 0.00 1.24 0.00 0.00 39.78 41.25 1mg1 n ASN 268 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mg1 h ALA 269 N 7.47 1.54 -0.08 5.20 0.00 -0.07 0.10 119.26 133.42 1mg1 h ALA 269 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1mg1 h ALA 269 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1mg1 h ALA 269 CO 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 180.15 1mg1 n ALA 270 N -2.30 2.52 -2.62 0.00 0.00 -1.26 -4.85 120.51 112.01 1mg1 n ALA 270 Ca -0.02 -0.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 1mg1 n ALA 270 Cb 0.13 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 1mg1 n ALA 270 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mg1 s SER 271 N -1.23 7.26 0.12 0.00 0.15 0.36 -4.95 113.70 115.41 1mg1 s SER 271 Ca 0.16 1.52 0.17 0.00 0.70 0.00 0.00 55.95 58.50 1mg1 s SER 271 Cb 0.08 -2.52 -0.08 0.00 -1.71 0.00 0.00 66.02 61.79 1mg1 s SER 271 CO 0.12 -0.16 0.98 1.55 1.20 0.00 0.00 173.24 176.93 1mg1 h PRO 272 N 6.49 0.00 -1.34 5.44 0.13 -1.90 -3.34 132.00 137.48 1mg1 h PRO 272 Ca -0.42 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.13 1mg1 h PRO 272 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1mg1 h PRO 272 CO 0.74 0.31 0.75 0.09 -0.23 0.00 0.00 178.00 179.67 1mg1 n ASN 273 N -2.95 7.29 0.00 1.44 3.02 -1.26 -4.70 115.26 118.10 1mg1 n ASN 273 Ca -0.06 -3.57 0.12 0.00 -0.03 0.00 0.00 54.58 51.04 1mg1 n ASN 273 Cb 0.79 -1.03 0.55 0.00 -0.61 0.00 0.00 39.78 39.48 1mg1 n ASN 273 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1mg1 h LYS 274 N 2.08 0.27 0.02 3.52 1.57 -1.94 -1.96 116.57 120.12 1mg1 h LYS 274 Ca 0.51 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 59.00 1mg1 h LYS 274 Cb 0.72 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 1mg1 h LYS 274 CO 1.31 0.18 -1.48 0.93 -0.57 0.00 0.00 179.45 179.82 1mg1 h GLU 275 N 0.28 0.03 -0.81 3.15 4.39 -1.94 -2.97 114.58 116.71 1mg1 h GLU 275 Ca 0.21 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.95 1mg1 h GLU 275 Cb 0.47 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.07 1mg1 h GLU 275 CO -0.04 0.73 0.46 -0.07 -1.16 0.00 0.00 179.01 178.93 1mg1 h LEU 276 N 0.01 0.67 0.64 1.33 4.07 -1.74 -0.90 115.31 119.38 1mg1 h LEU 276 Ca -0.20 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.77 1mg1 h LEU 276 Cb 1.94 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 43.60 1mg1 h LEU 276 CO 0.10 0.39 -0.31 0.00 -1.08 0.00 0.00 178.44 177.54 1mg1 h ALA 277 N 1.44 -1.02 -0.96 1.53 0.00 -1.51 -0.93 119.26 117.81 1mg1 h ALA 277 Ca 0.39 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 55.38 1mg1 h ALA 277 Cb 0.34 0.33 -0.18 0.00 0.00 0.00 0.00 17.79 18.28 1mg1 h ALA 277 CO -0.24 -0.96 0.05 1.17 0.00 0.00 0.00 179.25 179.28 1mg1 n LYS 278 N -4.77 -0.08 0.13 0.00 4.81 -0.98 0.11 118.16 117.38 1mg1 n LYS 278 Ca -0.11 1.43 -0.00 0.00 -0.87 0.00 0.00 58.31 58.76 1mg1 n LYS 278 Cb 0.34 -2.30 0.09 0.00 0.02 0.00 0.00 35.03 33.18 1mg1 n LYS 278 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1mg1 h GLU 279 N 0.00 0.00 -0.14 1.64 5.08 -1.15 0.27 114.58 120.28 1mg1 h GLU 279 Ca 0.60 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.78 1mg1 h GLU 279 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1mg1 h GLU 279 CO -0.89 0.64 -0.65 0.35 -1.00 0.00 0.00 179.01 177.46 1mg1 h PHE 280 N 0.00 0.69 0.09 4.33 3.57 0.22 -1.31 116.94 124.52 1mg1 h PHE 280 Ca -0.01 -0.27 -0.27 0.00 3.53 0.00 0.00 57.97 60.95 1mg1 h PHE 280 Cb 1.32 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1mg1 h PHE 280 CO 0.00 1.03 -1.43 -0.07 -2.23 0.00 0.00 178.31 175.61 1mg1 h LEU 281 N 0.38 0.29 -0.69 0.59 3.38 -1.00 0.65 115.31 118.91 1mg1 h LEU 281 Ca -0.02 -0.80 -0.13 0.00 0.09 0.00 0.00 57.88 57.03 1mg1 h LEU 281 Cb 1.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1mg1 h LEU 281 CO 0.12 1.61 -0.37 -0.33 0.09 0.00 0.00 178.44 179.56 1mg1 h GLU 282 N -0.42 0.59 -0.00 1.13 5.08 -0.56 0.13 114.58 120.52 1mg1 h GLU 282 Ca -0.32 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1mg1 h GLU 282 Cb 1.68 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1mg1 h GLU 282 CO 0.00 0.87 -0.18 0.09 -1.00 0.00 0.00 179.01 178.80 1mg1 n ASN 283 N -4.05 0.36 0.00 1.42 5.03 -0.51 -4.68 115.26 112.84 1mg1 n ASN 283 Ca -0.01 -0.68 0.00 0.00 0.87 0.00 0.00 54.58 54.75 1mg1 n ASN 283 Cb 0.50 0.87 0.00 0.00 -1.02 0.00 0.00 39.78 40.13 1mg1 n ASN 283 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1mg1 n TYR 284 N -0.92 0.00 -0.02 3.10 4.02 -0.96 -4.85 117.16 117.54 1mg1 n TYR 284 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.89 1mg1 n TYR 284 Cb 0.07 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.39 1mg1 n TYR 284 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1mg1 h LEU 285 N 0.00 -0.06 -3.56 7.72 5.85 0.29 -3.37 115.31 122.18 1mg1 h LEU 285 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1mg1 h LEU 285 Cb 0.99 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1mg1 h LEU 285 CO 0.00 0.39 0.00 0.18 -0.34 0.00 0.00 178.44 178.67 1mg1 n LEU 286 N -4.60 2.20 -4.48 2.25 4.32 0.44 -2.82 117.00 114.30 1mg1 n LEU 286 Ca -0.01 -0.99 -0.27 0.00 -0.02 0.00 0.00 56.01 54.72 1mg1 n LEU 286 Cb 0.03 -0.46 -0.11 0.00 -1.62 0.00 0.00 43.42 41.26 1mg1 n LEU 286 CO 0.02 0.41 -0.48 0.42 -1.22 0.00 0.00 177.39 176.54 1mg1 s THR 287 N 1.16 2.70 0.34 -5.08 -4.23 -1.26 -4.95 115.64 104.33 1mg1 s THR 287 Ca 0.00 -1.87 0.10 0.00 -1.18 0.00 0.00 61.69 58.74 1mg1 s THR 287 Cb 0.00 -2.31 0.33 0.00 1.34 0.00 0.00 72.50 71.85 1mg1 s THR 287 CO 0.00 -0.11 1.78 0.44 -0.54 0.00 0.00 174.62 176.19 1mg1 h ASP 288 N 3.09 0.66 1.81 3.99 3.32 -1.93 0.23 116.42 127.59 1mg1 h ASP 288 Ca -0.47 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1mg1 h ASP 288 Cb 1.21 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1mg1 h ASP 288 CO 0.50 0.20 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.10 1mg1 h GLU 289 N 0.62 0.00 0.01 3.56 4.81 -1.92 -2.77 114.58 118.90 1mg1 h GLU 289 Ca 0.58 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.75 1mg1 h GLU 289 Cb 1.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1mg1 h GLU 289 CO -0.35 0.00 -0.32 0.78 -0.73 0.00 0.00 179.01 178.39 1mg1 h GLY 290 N 4.13 0.03 1.14 1.92 0.00 -0.80 -3.06 103.07 106.42 1mg1 h GLY 290 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.31 1mg1 h GLY 290 CO 0.00 0.06 0.46 1.41 0.00 0.00 0.00 176.54 178.46 1mg1 h LEU 291 N -0.95 0.67 -0.12 3.11 3.38 -0.76 -2.72 115.31 117.92 1mg1 h LEU 291 Ca -0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1mg1 h LEU 291 Cb 1.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1mg1 h LEU 291 CO -0.03 0.45 0.04 -0.33 0.09 0.00 0.00 178.44 178.66 1mg1 h GLU 292 N 0.77 0.19 -0.74 1.13 5.08 -1.59 -0.97 114.58 118.45 1mg1 h GLU 292 Ca 0.29 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 1mg1 h GLU 292 Cb 0.17 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1mg1 h GLU 292 CO -0.09 0.32 0.44 0.00 -1.00 0.00 0.00 179.01 178.68 1mg1 h ALA 293 N 0.86 1.00 -0.50 3.43 0.00 -1.38 -0.64 119.26 122.03 1mg1 h ALA 293 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1mg1 h ALA 293 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1mg1 h ALA 293 CO -0.00 0.15 -0.18 0.28 0.00 0.00 0.00 179.25 179.50 1mg1 h VAL 294 N 0.81 1.27 -0.65 0.00 2.07 -1.48 -3.03 116.25 115.23 1mg1 h VAL 294 Ca 0.32 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 1mg1 h VAL 294 Cb 0.16 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1mg1 h VAL 294 CO -0.17 0.47 0.39 -1.13 0.02 0.00 0.00 177.57 177.16 1mg1 h ASN 295 N 0.88 0.78 0.60 0.57 -1.24 -0.20 -0.81 115.58 116.15 1mg1 h ASN 295 Ca 0.12 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1mg1 h ASN 295 Cb 0.76 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1mg1 h ASN 295 CO 0.06 0.60 0.00 0.11 -1.29 0.00 0.00 177.43 176.91 1mg1 h LYS 296 N 0.90 0.00 0.00 6.67 1.79 -1.03 -3.11 116.57 121.80 1mg1 h LYS 296 Ca 0.24 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.67 1mg1 h LYS 296 Cb -0.04 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1mg1 h LYS 296 CO -0.04 0.00 -0.53 0.22 -1.08 0.00 0.00 179.45 178.02 1mg1 h ASP 297 N 0.00 0.00 -2.13 0.86 3.58 -1.21 -3.48 116.42 114.05 1mg1 h ASP 297 Ca 0.00 -0.13 -0.18 0.00 0.42 0.00 0.00 57.03 57.15 1mg1 h ASP 297 Cb 0.30 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.04 1mg1 h ASP 297 CO 0.00 0.85 -0.50 -0.54 -2.88 0.00 0.00 179.24 176.17 1mg1 s LYS 298 N -2.14 0.31 -0.26 0.28 3.01 -0.54 -4.85 119.74 115.55 1mg1 s LYS 298 Ca -0.15 0.54 -0.34 0.00 -1.01 0.00 0.00 55.97 55.02 1mg1 s LYS 298 Cb 0.02 -0.49 -0.15 0.00 -1.01 0.00 0.00 37.83 36.20 1mg1 s LYS 298 CO 0.26 -0.58 1.09 -2.30 0.51 0.00 0.00 175.35 174.33 1mg1 n PRO 299 N 5.36 0.00 0.07 -1.68 -0.02 -1.21 -4.19 135.00 133.34 1mg1 n PRO 299 Ca -0.05 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.42 1mg1 n PRO 299 Cb 0.50 -1.14 -0.06 0.00 -0.02 0.00 0.00 33.50 32.78 1mg1 n PRO 299 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1mg1 h LEU 300 N 3.31 0.00 0.00 2.45 3.38 -1.89 -1.38 115.31 121.18 1mg1 h LEU 300 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1mg1 h LEU 300 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1mg1 h LEU 300 CO 0.66 0.69 0.00 0.61 0.09 0.00 0.00 178.44 180.49 1mg1 n GLY 301 N 1.34 1.02 3.52 0.83 0.00 -1.26 -4.48 105.19 106.16 1mg1 n GLY 301 Ca -0.04 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 1mg1 n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg1 s ALA 302 N -2.00 3.59 1.02 4.61 0.00 -0.76 -4.87 121.76 123.35 1mg1 s ALA 302 Ca 0.00 -3.08 -0.19 0.00 0.00 0.00 0.00 51.96 48.69 1mg1 s ALA 302 Cb 0.00 -4.40 -0.04 0.00 0.00 0.00 0.00 23.12 18.68 1mg1 s ALA 302 CO 0.00 -3.07 -0.42 1.33 0.00 0.00 0.00 175.76 173.60 1mg1 n VAL 303 N 5.62 0.00 0.03 0.00 0.24 -1.26 -0.80 118.33 122.15 1mg1 n VAL 303 Ca 0.42 -0.25 0.01 0.00 -2.04 0.00 0.00 64.34 62.48 1mg1 n VAL 303 Cb 0.45 -0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 32.40 1mg1 n VAL 303 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mg1 n ALA 304 N -3.54 1.98 -1.91 2.33 0.00 -0.91 -4.64 120.51 113.83 1mg1 n ALA 304 Ca 0.01 -0.54 -0.39 0.00 0.00 0.00 0.00 53.44 52.52 1mg1 n ALA 304 Cb 0.61 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 1mg1 n ALA 304 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1mg1 s LEU 305 N -5.71 3.37 0.17 0.00 2.96 -1.26 -1.73 118.68 116.47 1mg1 s LEU 305 Ca -0.03 0.78 -0.16 0.00 -0.22 0.00 0.00 54.13 54.50 1mg1 s LEU 305 Cb 0.09 -2.78 0.13 0.00 0.50 0.00 0.00 46.19 44.13 1mg1 s LEU 305 CO 0.81 -2.33 1.20 0.29 -1.32 0.00 0.00 176.35 175.01 1mg1 n LYS 306 N 8.96 -0.22 -0.28 1.98 5.02 -0.81 -0.63 118.16 132.19 1mg1 n LYS 306 Ca 0.25 1.19 0.05 0.00 -2.02 0.00 0.00 58.31 57.78 1mg1 n LYS 306 Cb 0.51 -1.76 0.19 0.00 -0.02 0.00 0.00 35.03 33.95 1mg1 n LYS 306 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1mg1 h SER 307 N 0.00 0.49 0.85 4.39 4.64 -1.90 -2.20 113.55 119.81 1mg1 h SER 307 Ca 0.24 0.08 -0.19 0.00 -0.47 0.00 0.00 61.79 61.45 1mg1 h SER 307 Cb 0.43 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1mg1 h SER 307 CO -0.76 0.23 -0.88 0.22 -0.87 0.00 0.00 176.83 174.77 1mg1 h TYR 308 N 0.61 0.03 0.00 4.77 3.20 -1.27 -3.25 116.97 121.05 1mg1 h TYR 308 Ca 0.42 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.20 1mg1 h TYR 308 Cb 0.55 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1mg1 h TYR 308 CO -0.10 0.88 -0.37 0.93 -1.64 0.00 0.00 178.16 177.86 1mg1 h GLU 309 N 0.01 0.00 -0.64 1.82 4.39 -0.73 -3.00 114.58 116.43 1mg1 h GLU 309 Ca -0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1mg1 h GLU 309 Cb 1.54 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.17 1mg1 h GLU 309 CO 0.12 0.37 0.22 0.93 -1.16 0.00 0.00 179.01 179.49 1mg1 h GLU 310 N 0.00 0.96 -0.48 2.33 3.07 -1.46 0.18 114.58 119.18 1mg1 h GLU 310 Ca -0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1mg1 h GLU 310 Cb 0.81 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1mg1 h GLU 310 CO 0.05 0.81 0.00 -0.85 -1.40 0.00 0.00 179.01 177.62 1mg1 n GLU 311 N -4.29 4.10 -0.01 2.33 0.28 -1.19 -4.13 120.64 117.74 1mg1 n GLU 311 Ca 0.05 -3.01 -0.01 0.00 -0.16 0.00 0.00 57.16 54.03 1mg1 n GLU 311 Cb 0.20 -2.07 -0.01 0.00 1.43 0.00 0.00 31.44 30.98 1mg1 n GLU 311 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1mg1 n LEU 312 N 0.30 1.23 0.22 -1.84 4.77 -0.99 -4.62 117.00 116.07 1mg1 n LEU 312 Ca 0.25 -0.01 0.15 0.00 -0.03 0.00 0.00 56.01 56.38 1mg1 n LEU 312 Cb 1.05 -0.01 0.64 0.00 -2.33 0.00 0.00 43.42 42.78 1mg1 n LEU 312 CO 0.26 0.25 0.95 0.00 -1.33 0.00 0.00 177.39 177.51 1mg1 h ALA 313 N 0.06 1.00 -0.06 -1.18 0.00 -0.81 -2.54 119.26 115.74 1mg1 h ALA 313 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1mg1 h ALA 313 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1mg1 h ALA 313 CO -0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1mg1 n LYS 314 N -2.71 1.25 -3.59 0.00 4.76 -1.26 -4.16 118.16 112.45 1mg1 n LYS 314 Ca 0.01 -0.38 -0.36 0.00 -2.87 0.00 0.00 58.31 54.71 1mg1 n LYS 314 Cb 0.24 -1.33 -0.08 0.00 -1.84 0.00 0.00 35.03 32.03 1mg1 n LYS 314 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1mg1 s ASP 315 N -1.58 6.32 0.25 4.39 -1.08 -0.96 -4.99 116.67 119.03 1mg1 s ASP 315 Ca 0.29 0.37 -0.03 0.00 -0.52 0.00 0.00 52.55 52.67 1mg1 s ASP 315 Cb 0.14 -2.15 0.49 0.00 -1.46 0.00 0.00 42.92 39.94 1mg1 s ASP 315 CO 0.23 0.09 1.75 1.55 0.52 0.00 0.00 175.17 179.31 1mg1 h PRO 316 N 6.89 0.52 -0.44 4.34 0.13 -1.88 0.40 132.00 141.96 1mg1 h PRO 316 Ca -0.40 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1mg1 h PRO 316 Cb 1.16 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1mg1 h PRO 316 CO 0.74 0.35 0.29 0.00 -0.23 0.00 0.00 178.00 179.15 1mg1 h ARG 317 N 0.54 0.53 0.18 0.86 3.08 -1.94 0.50 114.38 118.13 1mg1 h ARG 317 Ca 0.44 -0.03 -0.33 0.00 0.07 0.00 0.00 59.98 60.13 1mg1 h ARG 317 Cb 0.63 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.57 1mg1 h ARG 317 CO -0.38 0.35 -1.58 0.82 -1.07 0.00 0.00 179.97 178.12 1mg1 h ILE 318 N 0.55 1.13 -0.58 2.04 1.08 -1.38 -2.73 117.51 117.63 1mg1 h ILE 318 Ca 0.17 -2.69 0.01 0.00 -0.39 0.00 0.00 64.86 61.95 1mg1 h ILE 318 Cb 0.01 2.85 -0.03 0.00 -3.07 0.00 0.00 36.82 36.58 1mg1 h ILE 318 CO -0.04 0.84 0.38 0.00 -0.69 0.00 0.00 178.15 178.64 1mg1 h ALA 319 N 0.28 0.73 -0.23 1.87 0.00 0.28 -1.51 119.26 120.68 1mg1 h ALA 319 Ca -0.27 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1mg1 h ALA 319 Cb 2.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1mg1 h ALA 319 CO 0.20 0.17 -0.31 0.00 0.00 0.00 0.00 179.25 179.31 1mg1 h ALA 320 N 1.21 1.03 -0.64 0.00 0.00 -1.02 -0.67 119.26 119.17 1mg1 h ALA 320 Ca 0.21 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1mg1 h ALA 320 Cb -0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1mg1 h ALA 320 CO -0.05 0.59 0.17 1.15 0.00 0.00 0.00 179.25 181.11 1mg1 h THR 321 N 0.41 1.25 -0.08 0.00 2.02 -1.11 -0.81 112.91 114.60 1mg1 h THR 321 Ca 0.05 -0.91 -0.16 0.00 0.77 0.00 0.00 66.41 66.16 1mg1 h THR 321 Cb 0.75 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1mg1 h THR 321 CO 0.06 0.35 -0.64 0.24 0.37 0.00 0.00 175.52 175.89 1mg1 h MET 322 N 0.95 0.30 -0.60 6.66 2.86 -1.01 -0.50 114.93 123.58 1mg1 h MET 322 Ca 0.20 -0.22 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1mg1 h MET 322 Cb 0.34 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1mg1 h MET 322 CO -0.00 0.84 0.01 0.93 1.06 0.00 0.00 176.91 179.75 1mg1 h GLU 323 N 0.21 1.06 0.26 1.72 5.08 -0.91 0.38 114.58 122.38 1mg1 h GLU 323 Ca -0.01 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1mg1 h GLU 323 Cb 1.17 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1mg1 h GLU 323 CO 0.10 1.03 -0.12 -0.91 -1.00 0.00 0.00 179.01 178.11 1mg1 h ASN 324 N 0.96 -0.29 -0.31 1.42 -0.26 -0.90 0.11 115.58 116.29 1mg1 h ASN 324 Ca 0.17 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1mg1 h ASN 324 Cb 0.54 0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.86 1mg1 h ASN 324 CO 0.03 -0.12 0.20 0.00 -1.06 0.00 0.00 177.43 176.48 1mg1 h ALA 325 N 0.27 1.75 -0.34 -0.83 0.00 -0.92 0.87 119.26 120.04 1mg1 h ALA 325 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1mg1 h ALA 325 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1mg1 h ALA 325 CO 0.06 0.23 0.18 0.37 0.00 0.00 0.00 179.25 180.09 1mg1 h GLN 326 N 0.44 0.48 0.00 0.00 5.75 0.38 -1.90 115.11 120.26 1mg1 h GLN 326 Ca 0.12 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1mg1 h GLN 326 Cb -0.03 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.43 1mg1 h GLN 326 CO -0.02 0.41 -0.09 0.87 -2.65 0.00 0.00 178.83 177.35 1mg1 h LYS 327 N 0.42 0.00 0.00 1.69 6.56 0.86 -3.45 116.57 122.65 1mg1 h LYS 327 Ca 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1mg1 h LYS 327 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1mg1 h LYS 327 CO -0.02 0.09 0.00 0.41 -2.06 0.00 0.00 179.45 177.87 1mg1 n GLY 328 N -0.24 1.27 3.18 3.86 0.00 0.13 -4.55 105.19 108.84 1mg1 n GLY 328 Ca -0.01 -1.93 -0.17 0.00 0.00 0.00 0.00 46.02 43.91 1mg1 n GLY 328 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mg1 s GLU 329 N 2.28 0.84 -0.06 1.61 2.12 -0.82 -4.90 118.70 119.77 1mg1 s GLU 329 Ca 0.00 -1.03 -0.30 0.00 0.36 0.00 0.00 54.97 54.00 1mg1 s GLU 329 Cb 0.00 -0.75 -0.03 0.00 0.26 0.00 0.00 34.13 33.62 1mg1 s GLU 329 CO 0.00 0.15 1.09 -1.50 -0.54 0.00 0.00 175.26 174.46 1mg1 s ILE 330 N -1.67 4.53 0.45 -3.70 1.10 -1.26 -1.16 121.20 119.49 1mg1 s ILE 330 Ca 0.01 1.82 -0.24 0.00 -0.51 0.00 0.00 60.65 61.73 1mg1 s ILE 330 Cb -0.08 -4.17 -0.09 0.00 0.15 0.00 0.00 42.46 38.28 1mg1 s ILE 330 CO 0.02 0.04 1.29 0.23 -2.11 0.00 0.00 174.94 174.40 1mg1 n MET 331 N 4.81 1.88 -1.68 3.50 2.81 -0.77 -4.90 117.12 122.77 1mg1 n MET 331 Ca 0.09 0.67 -0.30 0.00 -1.81 0.00 0.00 57.70 56.35 1mg1 n MET 331 Cb 0.48 -2.43 0.06 0.00 -0.71 0.00 0.00 33.22 30.62 1mg1 n MET 331 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1mg1 s PRO 332 N -2.37 2.64 -0.20 0.03 0.04 -1.26 -4.82 135.00 129.06 1mg1 s PRO 332 Ca 0.63 0.67 -0.10 0.00 0.04 0.00 0.00 61.00 62.24 1mg1 s PRO 332 Cb -0.48 -1.98 -0.20 0.00 0.04 0.00 0.00 34.50 31.88 1mg1 s PRO 332 CO 0.56 -1.24 0.09 -1.71 0.04 0.00 0.00 177.00 174.75 1mg1 n ASN 333 N -3.18 2.00 -1.87 6.66 5.15 -1.26 -4.25 115.26 118.52 1mg1 n ASN 333 Ca 0.07 0.22 -0.23 0.00 -0.60 0.00 0.00 54.58 54.04 1mg1 n ASN 333 Cb 0.56 -0.80 -0.02 0.00 -0.53 0.00 0.00 39.78 38.99 1mg1 n ASN 333 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1mg1 n ILE 334 N -3.81 0.38 0.16 -1.44 -5.35 -1.26 -3.73 119.36 104.31 1mg1 n ILE 334 Ca -0.38 -0.10 0.08 0.00 -0.27 0.00 0.00 62.75 62.08 1mg1 n ILE 334 Cb 0.91 0.00 0.41 0.00 -1.74 0.00 0.00 39.64 39.23 1mg1 n ILE 334 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1mg1 n PRO 335 N 0.53 0.10 0.00 6.28 -0.04 -1.26 -2.22 135.00 138.39 1mg1 n PRO 335 Ca 0.08 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1mg1 n PRO 335 Cb 0.07 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1mg1 n PRO 335 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1mg1 n GLN 336 N -2.10 0.95 -0.08 0.54 3.00 -1.26 -3.79 117.38 114.65 1mg1 n GLN 336 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.84 1mg1 n GLN 336 Cb 0.25 -1.43 -0.09 0.00 0.00 0.00 0.00 30.24 28.97 1mg1 n GLN 336 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1mg1 h MET 337 N 0.05 0.00 -0.76 -1.09 2.86 -1.76 -3.03 114.93 111.21 1mg1 h MET 337 Ca 0.00 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.81 1mg1 h MET 337 Cb 0.52 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.05 1mg1 h MET 337 CO 0.00 0.75 0.00 0.66 1.06 0.00 0.00 176.91 179.38 1mg1 h SER 338 N -1.00 -0.36 0.16 1.22 4.64 -1.86 0.76 113.55 117.11 1mg1 h SER 338 Ca -0.11 0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1mg1 h SER 338 Cb 0.90 0.35 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1mg1 h SER 338 CO -0.07 -0.18 -0.09 0.00 -0.87 0.00 0.00 176.83 175.61 1mg1 h ALA 339 N 1.71 -0.98 -0.53 5.18 0.00 -1.80 0.17 119.26 123.01 1mg1 h ALA 339 Ca 0.41 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1mg1 h ALA 339 Cb 0.73 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1mg1 h ALA 339 CO -0.67 -0.97 -0.31 0.34 0.00 0.00 0.00 179.25 177.64 1mg1 n PHE 340 N -2.77 -0.23 -0.20 0.00 7.35 -0.39 0.41 117.46 121.63 1mg1 n PHE 340 Ca -0.03 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.33 1mg1 n PHE 340 Cb 0.10 -0.51 0.10 0.00 0.35 0.00 0.00 39.48 39.51 1mg1 n PHE 340 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1mg1 h TRP 341 N 0.00 -0.00 -0.69 -5.13 -0.00 0.55 0.58 115.95 111.26 1mg1 h TRP 341 Ca 0.08 0.04 0.05 0.00 -0.00 0.00 0.00 58.89 59.07 1mg1 h TRP 341 Cb 0.22 0.09 -0.05 0.00 -0.00 0.00 0.00 29.16 29.42 1mg1 h TRP 341 CO -0.84 -0.14 0.39 -0.92 -0.00 0.00 0.00 178.44 176.94 1mg1 h TYR 342 N 0.14 0.72 -0.57 0.49 5.03 0.30 0.13 116.97 123.22 1mg1 h TYR 342 Ca 0.31 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.71 1mg1 h TYR 342 Cb 0.49 -0.23 -0.06 0.00 1.55 0.00 0.00 36.73 38.49 1mg1 h TYR 342 CO -0.34 0.36 0.25 0.00 -1.32 0.00 0.00 178.16 177.11 1mg1 h ALA 343 N 1.34 0.73 -0.02 1.82 0.00 0.18 -2.27 119.26 121.04 1mg1 h ALA 343 Ca 0.30 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 1mg1 h ALA 343 Cb 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1mg1 h ALA 343 CO -0.17 -0.13 -0.70 0.28 0.00 0.00 0.00 179.25 178.53 1mg1 h VAL 344 N 0.47 1.46 -0.20 0.00 2.07 -0.68 -2.28 116.25 117.09 1mg1 h VAL 344 Ca 0.27 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.50 1mg1 h VAL 344 Cb 0.25 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1mg1 h VAL 344 CO -0.23 0.66 0.12 -0.09 0.02 0.00 0.00 177.57 178.05 1mg1 h ARG 345 N 0.08 0.27 -0.19 1.57 2.43 -0.53 -1.43 114.38 116.58 1mg1 h ARG 345 Ca -0.01 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1mg1 h ARG 345 Cb 1.24 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1mg1 h ARG 345 CO 0.10 0.24 0.11 1.15 -1.51 0.00 0.00 179.97 180.06 1mg1 h THR 346 N 0.23 1.09 0.47 0.20 2.02 -1.40 -1.10 112.91 114.42 1mg1 h THR 346 Ca 0.07 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1mg1 h THR 346 Cb 0.04 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1mg1 h THR 346 CO -0.01 0.09 -0.45 0.00 0.37 0.00 0.00 175.52 175.51 1mg1 h ALA 347 N 1.01 -1.12 -0.55 6.16 0.00 -1.25 0.10 119.26 123.61 1mg1 h ALA 347 Ca 0.07 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1mg1 h ALA 347 Cb 0.05 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1mg1 h ALA 347 CO -0.01 -1.15 0.16 0.28 0.00 0.00 0.00 179.25 178.53 1mg1 h VAL 348 N -0.92 0.74 -0.37 0.00 2.07 -1.26 0.31 116.25 116.83 1mg1 h VAL 348 Ca -0.06 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1mg1 h VAL 348 Cb 0.79 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1mg1 h VAL 348 CO -0.04 0.06 -0.05 0.40 0.02 0.00 0.00 177.57 177.95 1mg1 h ILE 349 N 0.31 1.27 0.09 4.57 2.04 -1.09 -1.18 117.51 123.52 1mg1 h ILE 349 Ca 0.28 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 1mg1 h ILE 349 Cb 0.36 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1mg1 h ILE 349 CO -0.32 0.37 -0.04 0.78 0.00 0.00 0.00 178.15 178.94 1mg1 h ASN 350 N 0.50 -0.10 -0.44 1.72 2.35 -0.40 0.69 115.58 119.90 1mg1 h ASN 350 Ca 0.10 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1mg1 h ASN 350 Cb 0.55 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.91 1mg1 h ASN 350 CO 0.03 0.21 0.23 0.00 -1.65 0.00 0.00 177.43 176.25 1mg1 h ALA 351 N 0.47 0.56 0.11 -0.83 0.00 -0.43 0.21 119.26 119.35 1mg1 h ALA 351 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mg1 h ALA 351 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1mg1 h ALA 351 CO 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 179.25 179.10 1mg1 h ALA 352 N 1.23 -0.15 0.00 0.00 0.00 -1.21 -2.59 119.26 116.54 1mg1 h ALA 352 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1mg1 h ALA 352 Cb 0.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1mg1 h ALA 352 CO -0.12 -0.46 0.00 -1.13 0.00 0.00 0.00 179.25 177.54 1mg1 n SER 353 N -5.04 0.00 0.00 0.00 3.41 0.23 -4.83 113.62 107.39 1mg1 n SER 353 Ca -0.08 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1mg1 n SER 353 Cb 0.18 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1mg1 n SER 353 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mg1 n GLY 354 N -0.37 0.76 0.16 5.00 0.00 -0.17 -4.87 105.19 105.69 1mg1 n GLY 354 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1mg1 n GLY 354 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mg1 h ARG 355 N 2.16 0.00 -4.24 1.61 2.47 -1.30 -3.44 114.38 111.63 1mg1 h ARG 355 Ca 0.00 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 1mg1 h ARG 355 Cb 0.03 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.23 1mg1 h ARG 355 CO 0.00 0.00 -0.41 -0.65 0.56 0.00 0.00 179.97 179.47 1mg1 s GLN 356 N -3.39 1.38 0.24 0.04 -0.21 -1.03 -4.98 119.66 111.72 1mg1 s GLN 356 Ca 0.03 -1.51 0.06 0.00 0.02 0.00 0.00 55.36 53.96 1mg1 s GLN 356 Cb 0.09 0.35 -0.03 0.00 1.00 0.00 0.00 33.01 34.42 1mg1 s GLN 356 CO 0.40 -0.51 0.26 0.95 -2.12 0.00 0.00 175.29 174.26 1mg1 s THR 357 N -4.03 4.77 0.25 -0.19 -4.23 -1.26 -4.22 115.64 106.73 1mg1 s THR 357 Ca 0.33 -1.23 -0.04 0.00 -1.18 0.00 0.00 61.69 59.57 1mg1 s THR 357 Cb 0.04 -3.58 0.23 0.00 1.34 0.00 0.00 72.50 70.53 1mg1 s THR 357 CO 0.12 -0.33 1.86 0.58 -0.54 0.00 0.00 174.62 176.31 1mg1 h VAL 358 N 1.39 1.06 -0.34 2.29 2.07 -1.96 0.35 116.25 121.10 1mg1 h VAL 358 Ca -0.50 -0.36 -0.17 0.00 0.82 0.00 0.00 66.70 66.49 1mg1 h VAL 358 Cb 1.23 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1mg1 h VAL 358 CO 0.61 0.19 -0.47 0.44 0.02 0.00 0.00 177.57 178.36 1mg1 h ASP 359 N 1.05 1.00 0.05 0.57 5.19 -1.96 -2.33 116.42 119.99 1mg1 h ASP 359 Ca 0.39 -0.50 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1mg1 h ASP 359 Cb 0.17 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.39 1mg1 h ASP 359 CO -0.17 1.30 -0.02 0.00 -3.12 0.00 0.00 179.24 177.23 1mg1 h ALA 360 N 0.73 -0.07 0.11 3.45 0.00 -1.82 -2.95 119.26 118.71 1mg1 h ALA 360 Ca 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1mg1 h ALA 360 Cb 1.07 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1mg1 h ALA 360 CO 0.11 -0.25 -0.24 0.00 0.00 0.00 0.00 179.25 178.87 1mg1 h ALA 361 N 0.23 -0.40 -0.37 0.00 0.00 -0.41 -1.80 119.26 116.51 1mg1 h ALA 361 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1mg1 h ALA 361 Cb 0.56 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1mg1 h ALA 361 CO 0.01 -0.77 0.25 -0.07 0.00 0.00 0.00 179.25 178.67 1mg1 h LEU 362 N -0.44 0.24 0.20 0.00 3.38 -1.54 -2.05 115.31 115.11 1mg1 h LEU 362 Ca 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1mg1 h LEU 362 Cb 0.46 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1mg1 h LEU 362 CO -0.14 0.16 -0.10 0.00 0.09 0.00 0.00 178.44 178.46 1mg1 h ALA 363 N 1.80 -0.27 -0.57 1.53 0.00 -1.27 -3.11 119.26 117.38 1mg1 h ALA 363 Ca 0.16 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1mg1 h ALA 363 Cb 0.28 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.07 1mg1 h ALA 363 CO -0.03 -0.43 -0.41 0.00 0.00 0.00 0.00 179.25 178.38 1mg1 h ALA 364 N -0.09 -0.26 -0.93 0.00 0.00 -0.84 0.17 119.26 117.30 1mg1 h ALA 364 Ca -0.03 0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.17 1mg1 h ALA 364 Cb 0.50 0.91 -0.17 0.00 0.00 0.00 0.00 17.79 19.03 1mg1 h ALA 364 CO 0.05 -0.79 -0.29 0.00 0.00 0.00 0.00 179.25 178.22 1mg1 n ALA 365 N -3.14 0.08 0.15 0.00 0.00 -0.82 -0.17 120.51 116.61 1mg1 n ALA 365 Ca 0.02 0.98 -0.07 0.00 0.00 0.00 0.00 53.44 54.38 1mg1 n ALA 365 Cb 0.35 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 1mg1 n ALA 365 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1mg1 h GLN 366 N 0.00 -0.41 -0.86 0.00 4.15 -0.67 -3.23 115.11 114.08 1mg1 h GLN 366 Ca 0.39 0.03 0.18 0.00 0.77 0.00 0.00 58.65 60.02 1mg1 h GLN 366 Cb 0.63 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.35 1mg1 h GLN 366 CO -0.94 -0.28 0.57 1.15 -1.93 0.00 0.00 178.83 177.40 1mg1 h THR 367 N -0.84 0.74 0.00 2.39 2.02 -0.79 -1.22 112.91 115.21 1mg1 h THR 367 Ca -0.04 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1mg1 h THR 367 Cb 0.33 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1mg1 h THR 367 CO 0.07 0.09 0.00 0.59 0.37 0.00 0.00 175.52 176.64 1mg1 n ASN 368 N -4.52 0.70 0.00 4.18 3.02 0.77 -2.81 115.26 116.59 1mg1 n ASN 368 Ca 0.18 0.62 0.07 0.00 -0.03 0.00 0.00 54.58 55.42 1mg1 n ASN 368 Cb 0.60 -0.79 0.39 0.00 -0.61 0.00 0.00 39.78 39.37 1mg1 n ASN 368 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mg1 n ALA 369 N -1.77 2.02 -2.21 5.41 0.00 -0.46 -4.73 120.51 118.77 1mg1 n ALA 369 Ca 0.04 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 1mg1 n ALA 369 Cb 0.31 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1mg1 n ALA 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mg1 s ALA 370 N -2.00 4.15 0.31 0.00 0.00 -1.12 -5.10 121.76 117.99 1mg1 s ALA 370 Ca 0.20 -1.81 -0.29 0.00 0.00 0.00 0.00 51.96 50.06 1mg1 s ALA 370 Cb 0.09 -1.17 -0.10 0.00 0.00 0.00 0.00 23.12 21.93 1mg1 s ALA 370 CO 0.15 -0.21 1.29 0.00 0.00 0.00 0.00 175.76 177.00 1mg1 s ALA 371 N -2.42 3.50 -0.11 0.00 0.00 -1.26 -5.04 121.76 116.42 1mg1 s ALA 371 Ca 0.49 1.22 -0.09 0.00 0.00 0.00 0.00 51.96 53.57 1mg1 s ALA 371 Cb -0.05 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1mg1 s ALA 371 CO 0.29 -0.59 0.21 0.00 0.00 0.00 0.00 175.76 175.66 1mg1 s MET 372 N -1.58 3.68 0.62 0.00 0.00 -1.26 -5.08 119.30 115.68 1mg1 s MET 372 Ca 0.49 -0.01 -0.17 0.00 0.00 0.00 0.00 55.69 56.01 1mg1 s MET 372 Cb -0.39 -3.24 -0.02 0.00 0.00 0.00 0.00 34.83 31.18 1mg1 s MET 372 CO 0.50 0.67 1.14 -1.12 0.00 0.00 0.00 175.02 176.21 1mg1 s SER 373 N -0.78 5.25 0.52 -1.18 0.01 -1.26 -4.87 113.70 111.38 1mg1 s SER 373 Ca 0.16 2.15 0.20 0.00 1.31 0.00 0.00 55.95 59.77 1mg1 s SER 373 Cb -0.13 -2.57 1.30 0.00 0.21 0.00 0.00 66.02 64.83 1mg1 s SER 373 CO 0.05 -1.54 2.07 -0.07 0.41 0.00 0.00 173.24 174.16 1mg1 h LEU 374 N 0.53 0.04 -0.02 2.44 3.38 -1.98 -1.32 115.31 118.38 1mg1 h LEU 374 Ca -0.48 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.50 1mg1 h LEU 374 Cb 1.26 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1mg1 h LEU 374 CO 0.55 0.02 -0.30 0.00 0.09 0.00 0.00 178.44 178.80 1mg1 h ALA 375 N 1.85 -0.74 -0.40 1.53 0.00 -1.98 1.50 119.26 121.03 1mg1 h ALA 375 Ca 0.14 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1mg1 h ALA 375 Cb 0.50 0.77 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1mg1 h ALA 375 CO -0.01 -0.84 -0.14 0.77 0.00 0.00 0.00 179.25 179.04 1mg1 h SER 376 N -0.37 -0.48 -0.87 0.00 0.02 -1.64 1.87 113.55 112.07 1mg1 h SER 376 Ca 0.01 0.13 0.15 0.00 -0.84 0.00 0.00 61.79 61.25 1mg1 h SER 376 Cb 0.40 0.29 -0.10 0.00 0.14 0.00 0.00 62.40 63.14 1mg1 h SER 376 CO -0.21 -0.17 0.46 1.23 -1.14 0.00 0.00 176.83 176.99 1mg1 h GLY 377 N -0.05 1.43 0.60 -3.77 0.00 -0.38 1.91 103.07 102.81 1mg1 h GLY 377 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1mg1 h GLY 377 CO -0.44 -0.04 -0.11 0.50 0.00 0.00 0.00 176.54 176.44 1mg1 h LYS 378 N 0.63 -0.31 -0.43 4.80 1.79 0.59 0.57 116.57 124.22 1mg1 h LYS 378 Ca 0.48 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 59.05 1mg1 h LYS 378 Cb 0.69 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.34 1mg1 h LYS 378 CO -0.37 0.04 -0.00 1.03 -1.08 0.00 0.00 179.45 179.07 1mg1 h SER 379 N -0.72 -0.19 0.06 0.86 0.87 0.35 0.48 113.55 115.26 1mg1 h SER 379 Ca -0.03 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1mg1 h SER 379 Cb 0.49 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.59 1mg1 h SER 379 CO 0.05 -0.06 -0.27 0.25 -0.53 0.00 0.00 176.83 176.28 1mg1 h LEU 380 N 0.10 -0.78 0.00 2.23 6.46 0.31 0.22 115.31 123.86 1mg1 h LEU 380 Ca 0.21 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 58.07 1mg1 h LEU 380 Cb 0.31 0.31 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1mg1 h LEU 380 CO -0.36 -0.35 0.00 -0.11 -0.62 0.00 0.00 178.44 177.01 1mg1 n LEU 381 N -5.38 0.00 -0.32 2.25 7.94 0.20 -1.05 117.00 120.64 1mg1 n LEU 381 Ca -0.06 0.70 0.30 0.00 -1.11 0.00 0.00 56.01 55.85 1mg1 n LEU 381 Cb 0.29 -0.20 0.56 0.00 0.53 0.00 0.00 43.42 44.61 1mg1 n LEU 381 CO 0.23 -0.20 1.03 1.57 -1.11 0.00 0.00 177.39 178.91 1mg1 n HIS 382 N -1.53 1.12 0.14 1.96 -0.00 0.15 -0.35 115.22 116.71 1mg1 n HIS 382 Ca 0.00 1.17 -0.14 0.00 0.46 0.00 0.00 57.72 59.22 1mg1 n HIS 382 Cb 0.00 -1.55 -0.08 0.00 -0.12 0.00 0.00 29.99 28.24 1mg1 n HIS 382 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1mg1 h GLU 383 N 0.00 -0.29 -0.08 1.57 4.39 0.24 -2.03 114.58 118.40 1mg1 h GLU 383 Ca 0.83 0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.57 1mg1 h GLU 383 Cb 2.16 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.87 1mg1 h GLU 383 CO -0.78 -0.14 0.09 0.28 -1.16 0.00 0.00 179.01 177.31 1mg1 h VAL 384 N -0.37 0.45 0.66 3.13 2.07 0.10 -2.26 116.25 120.04 1mg1 h VAL 384 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1mg1 h VAL 384 Cb 0.28 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1mg1 h VAL 384 CO 0.05 0.00 -0.32 0.44 0.02 0.00 0.00 177.57 177.76 1mg1 h ASP 385 N 0.00 -0.75 -1.28 0.57 3.32 -0.81 0.54 116.42 118.02 1mg1 h ASP 385 Ca 0.04 -0.00 0.38 0.00 0.02 0.00 0.00 57.03 57.46 1mg1 h ASP 385 Cb 0.23 0.19 -0.10 0.00 0.22 0.00 0.00 39.33 39.87 1mg1 h ASP 385 CO -0.00 -0.38 0.86 0.50 -1.72 0.00 0.00 179.24 178.49 1mg1 h LYS 386 N -1.16 0.15 0.00 3.56 3.64 -1.05 0.94 116.57 122.64 1mg1 h LYS 386 Ca -0.09 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1mg1 h LYS 386 Cb 0.71 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1mg1 h LYS 386 CO 0.15 0.10 0.00 -0.25 -2.27 0.00 0.00 179.45 177.18 1mg1 n ASP 387 N -4.49 0.00 -0.32 4.20 8.00 -0.83 -2.93 116.55 120.18 1mg1 n ASP 387 Ca 0.32 0.52 0.09 0.00 0.71 0.00 0.00 54.79 56.42 1mg1 n ASP 387 Cb 1.29 -0.31 0.20 0.00 -0.02 0.00 0.00 41.12 42.28 1mg1 n ASP 387 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1mg1 h ILE 388 N 0.00 0.11 -0.45 0.53 2.04 0.68 0.35 117.51 120.77 1mg1 h ILE 388 Ca 0.00 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 65.94 1mg1 h ILE 388 Cb 0.00 0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 36.07 1mg1 h ILE 388 CO 0.00 0.00 -0.16 -1.28 0.00 0.00 0.00 178.15 176.71 1mg1 h SER 389 N 0.03 -0.56 -0.79 1.72 0.87 -0.97 -1.11 113.55 112.73 1mg1 h SER 389 Ca 0.50 0.15 0.08 0.00 -1.23 0.00 0.00 61.79 61.29 1mg1 h SER 389 Cb 0.90 0.33 -0.07 0.00 -0.44 0.00 0.00 62.40 63.13 1mg1 h SER 389 CO -0.88 -0.20 0.46 1.56 -0.53 0.00 0.00 176.83 177.24 1mg1 h GLN 390 N -0.06 0.79 -0.79 2.24 1.08 -0.20 -0.29 115.11 117.88 1mg1 h GLN 390 Ca 0.22 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1mg1 h GLN 390 Cb 0.39 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.61 1mg1 h GLN 390 CO -0.49 0.52 0.46 -0.07 -0.95 0.00 0.00 178.83 178.30 1mg1 h LEU 391 N 0.81 0.96 0.09 1.46 3.38 -0.80 -2.15 115.31 119.07 1mg1 h LEU 391 Ca 0.37 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1mg1 h LEU 391 Cb 0.26 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1mg1 h LEU 391 CO -0.21 0.75 -0.09 0.74 0.09 0.00 0.00 178.44 179.73 1mg1 h THR 392 N 1.10 0.00 -1.04 0.22 2.02 0.10 0.12 112.91 115.43 1mg1 h THR 392 Ca 0.28 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.76 1mg1 h THR 392 Cb -0.02 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.26 1mg1 h THR 392 CO -0.05 0.00 0.62 1.56 0.37 0.00 0.00 175.52 178.02 1mg1 h GLN 393 N -0.18 0.38 0.82 6.66 4.20 -1.37 1.49 115.11 127.11 1mg1 h GLN 393 Ca -0.01 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1mg1 h GLN 393 Cb 0.15 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 27.86 1mg1 h GLN 393 CO -0.01 0.25 -0.40 0.00 -0.67 0.00 0.00 178.83 178.01 1mg1 h ALA 394 N 1.75 -1.11 -0.09 3.87 0.00 -1.05 0.36 119.26 122.99 1mg1 h ALA 394 Ca 0.69 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.39 1mg1 h ALA 394 Cb 1.59 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.75 1mg1 h ALA 394 CO -0.50 -1.08 -0.47 0.82 0.00 0.00 0.00 179.25 178.02 1mg1 h ILE 395 N -1.19 0.08 -0.69 0.00 2.04 0.23 0.63 117.51 118.62 1mg1 h ILE 395 Ca -0.11 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.88 1mg1 h ILE 395 Cb 0.86 0.08 -0.13 0.00 -0.74 0.00 0.00 36.82 36.89 1mg1 h ILE 395 CO 0.19 0.00 -0.25 0.58 0.00 0.00 0.00 178.15 178.67 1mg1 h VAL 396 N -0.56 0.22 -0.71 1.67 2.07 0.20 0.11 116.25 119.24 1mg1 h VAL 396 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.60 1mg1 h VAL 396 Cb 0.66 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1mg1 h VAL 396 CO -0.39 0.00 0.46 0.50 0.02 0.00 0.00 177.57 178.16 1mg1 h LYS 397 N -0.06 0.88 -0.52 1.57 1.63 0.77 -2.17 116.57 118.67 1mg1 h LYS 397 Ca 0.30 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.12 1mg1 h LYS 397 Cb 0.54 -0.20 -0.06 0.00 -0.60 0.00 0.00 32.23 31.92 1mg1 h LYS 397 CO -0.73 0.58 0.20 -0.91 -3.45 0.00 0.00 179.45 175.14 1mg1 h ASN 398 N 0.91 0.23 -0.02 4.20 2.35 0.14 -1.93 115.58 121.46 1mg1 h ASN 398 Ca 0.28 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 56.11 1mg1 h ASN 398 Cb -0.02 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 1mg1 h ASN 398 CO -0.09 0.16 -0.50 -0.74 -1.65 0.00 0.00 177.43 174.61 1mg1 h HIS 399 N 0.40 -1.44 -0.21 1.19 2.76 -0.65 0.65 115.15 117.85 1mg1 h HIS 399 Ca 0.25 0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.51 1mg1 h HIS 399 Cb 0.25 0.63 -0.07 0.00 1.55 0.00 0.00 27.41 29.77 1mg1 h HIS 399 CO -0.15 -0.55 -0.46 0.87 -1.30 0.00 0.00 177.93 176.35 1mg1 h LYS 400 N -0.63 -0.46 -0.76 5.26 1.57 -1.20 0.87 116.57 121.24 1mg1 h LYS 400 Ca 0.03 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.00 1mg1 h LYS 400 Cb 0.70 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.01 1mg1 h LYS 400 CO -0.36 -0.30 0.27 -0.91 -0.57 0.00 0.00 179.45 177.57 1mg1 h ASN 401 N -0.47 0.19 -0.35 0.86 2.35 -1.01 0.28 115.58 117.43 1mg1 h ASN 401 Ca 0.08 0.13 0.08 0.00 -0.55 0.00 0.00 56.30 56.03 1mg1 h ASN 401 Cb 0.63 0.13 -0.09 0.00 0.05 0.00 0.00 38.32 39.04 1mg1 h ASN 401 CO -0.46 0.04 -0.29 -0.07 -1.65 0.00 0.00 177.43 175.01 1mg1 h LEU 402 N 0.38 -0.94 -0.33 1.61 3.38 0.14 0.44 115.31 120.00 1mg1 h LEU 402 Ca 0.43 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.61 1mg1 h LEU 402 Cb 0.69 0.45 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1mg1 h LEU 402 CO -0.45 -0.30 0.10 -0.07 0.09 0.00 0.00 178.44 177.81 1mg1 h LEU 403 N -0.24 0.09 -0.92 1.67 3.38 0.99 0.18 115.31 120.46 1mg1 h LEU 403 Ca 0.17 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.28 1mg1 h LEU 403 Cb 0.51 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 1mg1 h LEU 403 CO -0.49 0.09 0.55 0.50 0.09 0.00 0.00 178.44 179.18 1mg1 h LYS 404 N 0.23 0.88 -0.27 1.13 3.64 0.50 -0.81 116.57 121.87 1mg1 h LYS 404 Ca 0.15 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1mg1 h LYS 404 Cb 0.14 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1mg1 h LYS 404 CO -0.17 0.58 -0.00 0.82 -2.27 0.00 0.00 179.45 178.41 1mg1 h ILE 405 N 0.90 1.26 0.19 2.00 2.04 -0.04 -2.32 117.51 121.54 1mg1 h ILE 405 Ca 0.45 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1mg1 h ILE 405 Cb 0.42 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1mg1 h ILE 405 CO -0.26 0.29 -0.39 0.00 0.00 0.00 0.00 178.15 177.80 1mg1 h ALA 406 N 0.82 -0.94 -0.90 1.87 0.00 0.60 0.11 119.26 120.82 1mg1 h ALA 406 Ca 0.08 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.05 1mg1 h ALA 406 Cb 0.43 0.73 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1mg1 h ALA 406 CO 0.01 -1.02 0.47 1.96 0.00 0.00 0.00 179.25 180.68 1mg1 h GLN 407 N -0.63 0.60 -0.19 0.00 4.20 -1.25 0.34 115.11 118.18 1mg1 h GLN 407 Ca -0.02 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1mg1 h GLN 407 Cb 0.60 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1mg1 h GLN 407 CO -0.16 0.39 -0.01 -0.92 -0.67 0.00 0.00 178.83 177.47 1mg1 h TYR 408 N 0.61 -0.02 0.29 2.96 5.03 -0.81 0.10 116.97 125.14 1mg1 h TYR 408 Ca 0.51 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.82 1mg1 h TYR 408 Cb 0.79 0.04 0.00 0.00 1.55 0.00 0.00 36.73 39.11 1mg1 h TYR 408 CO -0.08 -0.03 -0.15 0.00 -1.32 0.00 0.00 178.16 176.58 1mg1 h ALA 409 N 1.17 -0.40 -0.69 1.82 0.00 0.19 -2.04 119.26 119.30 1mg1 h ALA 409 Ca 0.09 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.07 1mg1 h ALA 409 Cb 0.12 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 1mg1 h ALA 409 CO -0.16 -0.73 0.05 0.00 0.00 0.00 0.00 179.25 178.42 1mg1 h ALA 410 N 0.30 0.76 0.22 0.00 0.00 -0.12 0.46 119.26 120.89 1mg1 h ALA 410 Ca -0.04 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1mg1 h ALA 410 Cb 0.32 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1mg1 h ALA 410 CO 0.06 -0.39 -0.27 0.37 0.00 0.00 0.00 179.25 179.02 1mg1 h GLN 411 N 0.15 -0.52 -0.45 0.00 4.15 -0.65 0.92 115.11 118.71 1mg1 h GLN 411 Ca 0.38 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.92 1mg1 h GLN 411 Cb 0.64 0.12 -0.07 0.00 0.21 0.00 0.00 27.48 28.38 1mg1 h GLN 411 CO -0.57 -0.35 -0.02 -0.91 -1.93 0.00 0.00 178.83 175.06 1mg1 h ASN 412 N -0.54 -0.22 -0.90 -0.69 2.35 -0.55 0.31 115.58 115.33 1mg1 h ASN 412 Ca 0.00 0.11 0.14 0.00 -0.55 0.00 0.00 56.30 56.01 1mg1 h ASN 412 Cb 0.52 0.20 -0.07 0.00 0.05 0.00 0.00 38.32 39.02 1mg1 h ASN 412 CO -0.09 -0.07 0.58 -0.09 -1.65 0.00 0.00 177.43 176.11 1mg1 h ARG 413 N 0.09 0.69 -0.36 0.81 9.65 -0.38 -0.64 114.38 124.24 1mg1 h ARG 413 Ca 0.22 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.11 1mg1 h ARG 413 Cb 0.33 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.71 1mg1 h ARG 413 CO -0.38 0.46 0.10 0.00 2.80 0.00 0.00 179.97 182.95 1mg1 h ARG 414 N 0.71 0.24 -0.01 0.20 3.08 0.21 -1.48 114.38 117.33 1mg1 h ARG 414 Ca 0.45 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.44 1mg1 h ARG 414 Cb 0.71 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1mg1 h ARG 414 CO -0.21 0.16 -0.24 0.78 -1.07 0.00 0.00 179.97 179.39 1mg1 h GLY 415 N 0.24 0.02 0.65 0.04 0.00 -0.62 -2.93 103.07 100.48 1mg1 h GLY 415 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1mg1 h GLY 415 CO -0.19 0.01 -0.10 1.41 0.00 0.00 0.00 176.54 177.67 1mg1 h LEU 416 N 0.02 -0.23 -1.92 3.11 3.38 -0.82 -2.15 115.31 116.70 1mg1 h LEU 416 Ca 0.00 -0.23 0.29 0.00 0.09 0.00 0.00 57.88 58.02 1mg1 h LEU 416 Cb 0.43 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1mg1 h LEU 416 CO 0.03 0.13 0.72 0.44 0.09 0.00 0.00 178.44 179.85 1mg1 h ASP 417 N -0.62 0.06 0.61 -0.43 3.32 -1.17 0.90 116.42 119.08 1mg1 h ASP 417 Ca -0.03 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.84 1mg1 h ASP 417 Cb 0.45 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1mg1 h ASP 417 CO 0.05 0.01 -0.86 0.25 -1.72 0.00 0.00 179.24 176.97 1mg1 h LEU 418 N 0.05 0.22 -0.04 1.55 5.85 -1.32 0.15 115.31 121.78 1mg1 h LEU 418 Ca 0.49 -0.18 -0.25 0.00 0.84 0.00 0.00 57.88 58.78 1mg1 h LEU 418 Cb 1.86 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1mg1 h LEU 418 CO -0.04 0.98 -1.09 -0.07 -0.34 0.00 0.00 178.44 177.88 1mg1 h LEU 419 N 0.09 0.48 -3.71 2.25 3.38 0.13 -3.22 115.31 114.71 1mg1 h LEU 419 Ca -0.04 -0.44 -0.26 0.00 0.09 0.00 0.00 57.88 57.23 1mg1 h LEU 419 Cb 1.48 -0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.93 1mg1 h LEU 419 CO 0.13 1.28 0.29 0.49 0.09 0.00 0.00 178.44 180.72 1mg1 n PHE 420 N -3.65 2.30 -0.18 1.13 3.72 0.74 -4.71 117.46 116.80 1mg1 n PHE 420 Ca -0.08 -1.36 -0.02 0.00 -0.05 0.00 0.00 57.45 55.94 1mg1 n PHE 420 Cb 0.92 -0.69 0.08 0.00 -0.94 0.00 0.00 39.48 38.85 1mg1 n PHE 420 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 176.76 176.82 1mg1 h TRP 421 N 2.05 0.46 0.00 1.38 5.08 -0.97 0.44 115.95 124.38 1mg1 h TRP 421 Ca 0.32 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.31 1mg1 h TRP 421 Cb 2.30 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 28.33 1mg1 h TRP 421 CO 1.26 0.19 0.00 -0.85 -1.28 0.00 0.00 178.44 177.76 1mg1 n GLU 422 N -4.92 0.77 0.00 0.12 0.28 -1.26 -1.70 120.64 113.94 1mg1 n GLU 422 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1mg1 n GLU 422 Cb 0.19 -1.30 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1mg1 n GLU 422 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1mg1 n GLN 423 N -0.03 1.78 0.00 3.44 3.00 -0.04 -5.00 117.38 120.53 1mg1 n GLN 423 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1mg1 n GLN 423 Cb 0.15 -0.93 0.00 0.00 0.00 0.00 0.00 30.24 29.46 1mg1 n GLN 423 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1mg1 n GLY 424 N 2.36 1.82 3.77 1.08 0.00 -0.69 -4.31 105.19 109.22 1mg1 n GLY 424 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mg1 n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mg1 n GLY 425 N -0.48 -1.74 0.17 -0.02 0.00 -0.13 -4.06 105.19 98.94 1mg1 n GLY 425 Ca 0.00 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 1mg1 n GLY 425 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mg1 h LEU 426 N 0.00 -0.34 -1.00 0.99 5.85 -1.82 -3.16 115.31 115.83 1mg1 h LEU 426 Ca 0.00 0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.01 1mg1 h LEU 426 Cb 0.00 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 40.98 1mg1 h LEU 426 CO 0.00 -0.08 0.58 0.00 -0.34 0.00 0.00 178.44 178.60 1mg1 h LYS 428 N 0.47 0.00 0.00 0.00 1.57 -1.71 -2.25 116.57 114.66 1mg1 h LYS 428 Ca 0.68 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.39 1mg1 h LYS 428 Cb 1.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1mg1 h LYS 428 CO -0.53 0.54 -0.35 0.00 -0.57 0.00 0.00 179.45 178.54 1mg1 h ALA 429 N 1.46 0.80 -0.01 3.86 0.00 -1.01 -2.97 119.26 121.38 1mg1 h ALA 429 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1mg1 h ALA 429 Cb 1.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1mg1 h ALA 429 CO 0.07 0.44 -0.35 1.28 0.00 0.00 0.00 179.25 180.68 1mg1 n LEU 430 N -3.22 1.73 -3.95 0.00 4.77 -1.05 -4.97 117.00 110.31 1mg1 n LEU 430 Ca 0.02 -0.59 -0.35 0.00 -0.03 0.00 0.00 56.01 55.06 1mg1 n LEU 430 Cb 0.64 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1mg1 n LEU 430 CO 0.38 0.32 -0.19 0.00 -1.33 0.00 0.00 177.39 176.56 1mg1 n GLN 431 N -0.14 -1.33 -3.88 3.23 1.13 -0.87 -4.96 117.38 110.57 1mg1 n GLN 431 Ca 0.11 0.27 -0.09 0.00 -1.94 0.00 0.00 57.00 55.35 1mg1 n GLN 431 Cb 0.43 -3.63 -0.08 0.00 0.11 0.00 0.00 30.24 27.07 1mg1 n GLN 431 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1mg1 s GLU 432 N -6.76 0.72 -0.04 -1.09 -1.05 -1.09 -5.06 118.70 104.33 1mg1 s GLU 432 Ca 0.31 -0.81 -0.38 0.00 -0.15 0.00 0.00 54.97 53.94 1mg1 s GLU 432 Cb -0.14 0.29 -0.16 0.00 -0.44 0.00 0.00 34.13 33.68 1mg1 s GLU 432 CO 0.92 -0.21 1.51 0.94 0.95 0.00 0.00 175.26 179.38 1mg1 n GLN 433 N 0.38 1.25 -2.35 -4.83 -0.06 -1.26 -4.74 117.38 105.78 1mg1 n GLN 433 Ca -0.17 0.45 -0.39 0.00 -2.00 0.00 0.00 57.00 54.89 1mg1 n GLN 433 Cb 0.60 -2.13 -0.03 0.00 -4.06 0.00 0.00 30.24 24.63 1mg1 n GLN 433 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mg1 s PHE 436 N -2.77 -0.40 -1.47 0.00 0.08 -1.26 -5.06 117.98 107.10 1mg1 s PHE 436 Ca 0.51 0.94 -0.09 0.00 0.12 0.00 0.00 56.93 58.41 1mg1 s PHE 436 Cb -0.10 -0.03 0.02 0.00 -0.57 0.00 0.00 43.02 42.34 1mg1 s PHE 436 CO 0.42 -0.33 2.57 1.28 -0.10 0.00 0.00 175.22 179.05 1mg1 n LEU 437 N 5.17 8.08 -4.47 -0.37 4.77 -1.26 -4.86 117.00 124.06 1mg1 n LEU 437 Ca -0.09 -4.55 -0.43 0.00 -0.03 0.00 0.00 56.01 50.91 1mg1 n LEU 437 Cb 0.50 -1.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.06 1mg1 n LEU 437 CO 0.04 1.88 0.82 0.21 -1.33 0.00 0.00 177.39 179.01 1mg1 s ASN 438 N 1.55 6.18 -0.21 -1.43 2.47 -1.26 -4.97 114.94 117.27 1mg1 s ASN 438 Ca 0.59 -0.87 -0.04 0.00 0.42 0.00 0.00 52.86 52.96 1mg1 s ASN 438 Cb 0.17 -2.44 -0.01 0.00 -1.45 0.00 0.00 41.25 37.52 1mg1 s ASN 438 CO -0.07 -1.49 -0.04 -0.63 -3.72 0.00 0.00 177.10 171.15 1mg1 s ILE 439 N 4.31 3.44 -0.21 -5.21 1.09 -1.26 -5.09 121.20 118.26 1mg1 s ILE 439 Ca 0.25 -0.48 -0.10 0.00 -1.10 0.00 0.00 60.65 59.22 1mg1 s ILE 439 Cb -0.15 -2.56 0.08 0.00 -1.06 0.00 0.00 42.46 38.77 1mg1 s ILE 439 CO 0.11 0.43 0.49 -0.89 -0.10 0.00 0.00 174.94 174.98 1mg1 s THR 440 N 1.34 -0.28 -0.42 2.92 2.01 -1.26 -5.10 115.64 114.85 1mg1 s THR 440 Ca 0.04 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.16 1mg1 s THR 440 Cb -0.14 -0.73 0.12 0.00 0.01 0.00 0.00 72.50 71.75 1mg1 s THR 440 CO -0.02 0.04 0.17 0.21 -0.69 0.00 0.00 174.62 174.33 1mg1 s ASN 441 N 1.92 4.25 0.07 3.53 3.84 -1.26 -4.98 114.94 122.30 1mg1 s ASN 441 Ca -0.07 -2.48 -0.24 0.00 0.21 0.00 0.00 52.86 50.27 1mg1 s ASN 441 Cb -0.09 -1.38 -0.16 0.00 -0.55 0.00 0.00 41.25 39.06 1mg1 s ASN 441 CO -0.15 -0.31 1.63 0.77 -2.79 0.00 0.00 177.10 176.26 1mg1 h SER 442 N 7.10 -0.08 -0.44 -4.21 4.64 -2.02 -2.65 113.55 115.88 1mg1 h SER 442 Ca -0.06 -0.08 0.13 0.00 -0.47 0.00 0.00 61.79 61.30 1mg1 h SER 442 Cb 0.95 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1mg1 h SER 442 CO 0.56 0.03 0.51 0.45 -0.87 0.00 0.00 176.83 177.52 1mg1 h HIS 443 N -0.19 0.00 -0.28 4.77 3.86 -1.98 -0.44 115.15 120.89 1mg1 h HIS 443 Ca -0.01 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 1mg1 h HIS 443 Cb 0.16 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.55 1mg1 h HIS 443 CO -0.04 0.00 -0.25 0.28 0.86 0.00 0.00 177.93 178.78 1mg1 h VAL 444 N 0.00 0.37 0.07 2.45 2.07 -1.90 0.28 116.25 119.59 1mg1 h VAL 444 Ca 0.21 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 1mg1 h VAL 444 Cb 1.23 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1mg1 h VAL 444 CO -0.00 0.00 -0.03 0.28 0.02 0.00 0.00 177.57 177.84 1mg1 h SER 445 N -0.24 -0.07 -0.92 0.57 0.02 -1.24 -2.87 113.55 108.80 1mg1 h SER 445 Ca 0.15 -0.37 0.26 0.00 -0.84 0.00 0.00 61.79 60.99 1mg1 h SER 445 Cb 0.47 0.02 -0.15 0.00 0.14 0.00 0.00 62.40 62.88 1mg1 h SER 445 CO -0.42 0.35 0.32 0.40 -1.14 0.00 0.00 176.83 176.34 1mg1 h ILE 446 N -0.51 0.30 0.00 3.27 2.04 -1.26 0.84 117.51 122.19 1mg1 h ILE 446 Ca -0.01 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1mg1 h ILE 446 Cb 0.44 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1mg1 h ILE 446 CO 0.01 0.04 -0.31 -0.07 0.00 0.00 0.00 178.15 177.83 1mg1 h LEU 447 N 0.23 0.00 -0.06 1.44 3.38 -0.36 -1.42 115.31 118.52 1mg1 h LEU 447 Ca 0.61 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.45 1mg1 h LEU 447 Cb 1.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.03 1mg1 h LEU 447 CO -0.65 0.31 -0.44 1.56 0.09 0.00 0.00 178.44 179.30 1mg1 h GLN 448 N 0.00 0.40 -0.12 1.13 4.20 0.87 -3.23 115.11 118.36 1mg1 h GLN 448 Ca -0.00 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.36 1mg1 h GLN 448 Cb 0.65 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1mg1 h GLN 448 CO 0.04 1.00 0.04 0.93 -0.67 0.00 0.00 178.83 180.18 1mg1 h GLU 449 N -0.09 0.10 0.00 1.46 4.39 -1.04 -3.45 114.58 115.96 1mg1 h GLU 449 Ca -0.04 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1mg1 h GLU 449 Cb 1.11 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1mg1 h GLU 449 CO 0.09 0.07 0.00 -2.13 -1.16 0.00 0.00 179.01 175.88 1mg1 n ARG 450 N -5.06 0.00 -0.57 2.33 0.63 -0.55 -4.82 116.66 108.63 1mg1 n ARG 450 Ca -0.04 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.59 1mg1 n ARG 450 Cb 0.05 0.00 0.22 0.00 0.45 0.00 0.00 32.46 33.18 1mg1 n ARG 450 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1mg1 n PRO 451 N 0.00 -1.76 -1.85 -0.14 -0.04 -1.26 -4.95 135.00 124.99 1mg1 n PRO 451 Ca 0.00 -0.48 -0.33 0.00 -0.04 0.00 0.00 63.50 62.65 1mg1 n PRO 451 Cb 0.00 -2.14 0.04 0.00 -0.04 0.00 0.00 33.50 31.36 1mg1 n PRO 451 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1mg1 s PRO 452 N -4.29 2.94 0.00 0.54 0.04 -1.26 -4.91 135.00 128.06 1mg1 s PRO 452 Ca 0.66 1.39 0.20 0.00 0.04 0.00 0.00 61.00 63.28 1mg1 s PRO 452 Cb -0.23 -1.97 0.84 0.00 0.04 0.00 0.00 34.50 33.18 1mg1 s PRO 452 CO 0.64 -1.14 1.63 -0.11 0.04 0.00 0.00 177.00 178.05 1mg1 n LEU 453 N -2.24 0.00 -0.91 -3.56 7.94 -1.26 -3.45 117.00 113.52 1mg1 n LEU 453 Ca 0.10 0.50 0.00 0.00 -1.11 0.00 0.00 56.01 55.50 1mg1 n LEU 453 Cb 0.52 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.97 1mg1 n LEU 453 CO 0.47 -0.16 0.35 1.21 -1.11 0.00 0.00 177.39 178.14 1mg1 n GLU 454 N -1.50 0.76 0.00 1.96 2.13 -1.26 -4.99 120.64 117.74 1mg1 n GLU 454 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1mg1 n GLU 454 Cb 0.23 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 30.77 1mg1 n GLU 454 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81