#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pg8 s HIS 2 N 0.00 2.27 0.20 3.17 5.65 -1.26 -4.99 115.29 120.33 1pg8 s HIS 2 Ca 0.00 0.66 0.04 0.00 0.25 0.00 0.00 55.06 56.01 1pg8 s HIS 2 Cb 0.00 -4.05 -0.02 0.00 -1.18 0.00 0.00 32.58 27.33 1pg8 s HIS 2 CO 0.00 -2.45 0.17 0.41 -0.65 0.00 0.00 174.74 172.23 1pg8 n GLY 3 N 4.76 3.32 1.13 1.59 0.00 -1.26 -4.85 105.19 109.88 1pg8 n GLY 3 Ca 0.18 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1pg8 n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pg8 n SER 4 N -2.20 -4.72 0.00 1.61 2.88 -1.26 -4.57 113.62 105.37 1pg8 n SER 4 Ca 0.04 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1pg8 n SER 4 Cb 0.36 -2.59 0.00 0.00 -0.75 0.00 0.00 64.21 61.23 1pg8 n SER 4 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1pg8 n ASN 5 N 0.74 0.00 -3.30 -3.46 0.23 -1.26 -4.85 115.26 103.36 1pg8 n ASN 5 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.79 1pg8 n ASN 5 Cb 0.00 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 37.93 1pg8 n ASN 5 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1pg8 n LYS 6 N 0.00 -3.64 -2.05 -3.83 4.81 -1.26 -4.89 118.16 107.29 1pg8 n LYS 6 Ca 0.00 -1.38 -0.43 0.00 -0.87 0.00 0.00 58.31 55.64 1pg8 n LYS 6 Cb 0.00 -1.51 -0.03 0.00 0.02 0.00 0.00 35.03 33.52 1pg8 n LYS 6 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1pg8 s LEU 7 N 0.00 4.09 0.65 3.14 1.98 -1.26 -4.98 118.68 122.29 1pg8 s LEU 7 Ca 0.59 1.92 -0.18 0.00 -2.89 0.00 0.00 54.13 53.57 1pg8 s LEU 7 Cb -0.08 -3.53 -0.01 0.00 0.66 0.00 0.00 46.19 43.23 1pg8 s LEU 7 CO 0.47 -1.11 1.30 -2.84 -1.89 0.00 0.00 176.35 172.27 1pg8 s PRO 8 N 4.41 2.51 1.04 0.98 0.02 -1.26 -5.00 135.00 137.69 1pg8 s PRO 8 Ca 0.73 2.07 -0.13 0.00 0.02 0.00 0.00 61.00 63.69 1pg8 s PRO 8 Cb -0.29 -1.84 0.21 0.00 0.02 0.00 0.00 34.50 32.60 1pg8 s PRO 8 CO 0.29 -1.63 1.09 0.20 -0.33 0.00 0.00 177.00 176.62 1pg8 s GLY 9 N -1.40 1.56 0.18 0.52 0.00 -1.26 -4.76 107.32 102.15 1pg8 s GLY 9 Ca 0.83 -0.39 -0.13 0.00 0.00 0.00 0.00 44.72 45.03 1pg8 s GLY 9 CO 0.40 0.26 1.80 -2.75 0.00 0.00 0.00 173.10 172.81 1pg8 h PHE 10 N -2.05 0.80 -0.53 1.90 3.57 -1.99 -1.98 116.94 116.65 1pg8 h PHE 10 Ca -0.56 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 60.88 1pg8 h PHE 10 Cb 1.33 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1pg8 h PHE 10 CO 0.19 0.57 0.14 0.00 -2.23 0.00 0.00 178.31 176.98 1pg8 h ALA 11 N 1.16 0.70 -0.73 2.41 0.00 -1.99 -1.86 119.26 118.96 1pg8 h ALA 11 Ca 0.21 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1pg8 h ALA 11 Cb 0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1pg8 h ALA 11 CO -0.04 0.38 0.45 1.15 0.00 0.00 0.00 179.25 181.20 1pg8 h THR 12 N 0.74 1.08 0.02 0.00 2.02 -1.74 -2.73 112.91 112.30 1pg8 h THR 12 Ca 0.17 -0.30 -0.24 0.00 0.77 0.00 0.00 66.41 66.81 1pg8 h THR 12 Cb 0.32 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1pg8 h THR 12 CO -0.00 0.16 -0.99 0.03 0.37 0.00 0.00 175.52 175.08 1pg8 h ARG 13 N 0.87 0.44 0.00 6.66 3.08 -1.25 0.02 114.38 124.20 1pg8 h ARG 13 Ca 0.30 -0.50 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 1pg8 h ARG 13 Cb 0.05 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1pg8 h ARG 13 CO -0.12 1.15 -0.02 0.00 -1.07 0.00 0.00 179.97 179.91 1pg8 h ALA 14 N 0.67 1.41 0.02 0.04 0.00 -1.21 0.18 119.26 120.37 1pg8 h ALA 14 Ca -0.09 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.42 1pg8 h ALA 14 Cb 1.64 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 1pg8 h ALA 14 CO 0.17 0.02 -2.36 -0.89 0.00 0.00 0.00 179.25 176.19 1pg8 n ILE 15 N -3.70 1.53 -0.00 0.00 5.41 -1.00 -4.13 119.36 117.46 1pg8 n ILE 15 Ca -0.03 -0.63 0.03 0.00 1.00 0.00 0.00 62.75 63.12 1pg8 n ILE 15 Cb 0.10 -1.35 -0.05 0.00 -0.71 0.00 0.00 39.64 37.63 1pg8 n ILE 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1pg8 n HIS 16 N -3.23 0.00 -1.71 1.39 8.25 -0.04 -5.03 115.22 114.85 1pg8 n HIS 16 Ca -0.41 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.62 1pg8 n HIS 16 Cb 1.02 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.95 1pg8 n HIS 16 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1pg8 n HIS 17 N -1.74 2.66 -0.62 4.41 -0.00 0.62 -2.51 115.22 118.03 1pg8 n HIS 17 Ca -0.02 0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1pg8 n HIS 17 Cb 0.19 -2.64 0.00 0.00 -0.12 0.00 0.00 29.99 27.42 1pg8 n HIS 17 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1pg8 n GLY 18 N 3.75 0.69 2.92 1.57 0.00 -1.26 -4.61 105.19 108.25 1pg8 n GLY 18 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1pg8 n GLY 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pg8 s TYR 19 N -2.00 -0.33 -0.25 1.61 5.04 -1.05 -4.96 117.35 115.41 1pg8 s TYR 19 Ca 0.00 0.77 -0.02 0.00 -2.44 0.00 0.00 57.07 55.38 1pg8 s TYR 19 Cb 0.00 -0.15 0.03 0.00 0.35 0.00 0.00 41.96 42.19 1pg8 s TYR 19 CO 0.00 -0.35 -0.05 0.34 -1.34 0.00 0.00 175.55 174.14 1pg8 s ASP 20 N 2.37 4.38 0.46 4.32 -1.08 -1.26 -4.95 116.67 120.91 1pg8 s ASP 20 Ca 0.03 -0.90 0.28 0.00 -0.52 0.00 0.00 52.55 51.44 1pg8 s ASP 20 Cb -0.12 -1.67 1.34 0.00 -1.46 0.00 0.00 42.92 41.00 1pg8 s ASP 20 CO -0.08 -0.14 1.76 -0.65 0.52 0.00 0.00 175.17 176.58 1pg8 h PRO 21 N 8.02 0.19 0.00 4.34 0.11 -1.90 -2.21 132.00 140.54 1pg8 h PRO 21 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1pg8 h PRO 21 Cb 1.10 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1pg8 h PRO 21 CO 0.57 0.12 0.05 1.04 -0.21 0.00 0.00 178.00 179.57 1pg8 n GLN 22 N -4.45 0.05 -0.18 1.05 1.13 -1.26 -1.24 117.38 112.48 1pg8 n GLN 22 Ca 0.28 0.53 0.12 0.00 -1.94 0.00 0.00 57.00 55.98 1pg8 n GLN 22 Cb 1.13 -1.72 0.21 0.00 0.11 0.00 0.00 30.24 29.96 1pg8 n GLN 22 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1pg8 n ASP 23 N -1.77 3.47 -2.74 1.08 8.00 -0.83 -4.32 116.55 119.44 1pg8 n ASP 23 Ca -0.01 -2.00 -0.10 0.00 0.71 0.00 0.00 54.79 53.40 1pg8 n ASP 23 Cb 0.06 -0.24 0.03 0.00 -0.02 0.00 0.00 41.12 40.95 1pg8 n ASP 23 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1pg8 n HIS 24 N 1.50 0.57 -1.55 1.24 8.25 -0.52 -4.97 115.22 119.75 1pg8 n HIS 24 Ca 0.19 -2.83 -0.12 0.00 -0.26 0.00 0.00 57.72 54.70 1pg8 n HIS 24 Cb 0.61 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 31.54 1pg8 n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pg8 n GLY 25 N -0.06 0.98 2.70 -1.41 0.00 -1.24 -1.77 105.19 104.38 1pg8 n GLY 25 Ca 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1pg8 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg8 n GLY 26 N -1.39 0.91 3.67 -0.02 0.00 -0.38 -5.00 105.19 102.99 1pg8 n GLY 26 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1pg8 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg8 s ALA 27 N -3.61 3.63 -0.00 4.61 0.00 -0.73 -4.80 121.76 120.85 1pg8 s ALA 27 Ca 0.00 1.36 -0.23 0.00 0.00 0.00 0.00 51.96 53.09 1pg8 s ALA 27 Cb 0.00 -3.83 -0.18 0.00 0.00 0.00 0.00 23.12 19.11 1pg8 s ALA 27 CO 0.00 -1.49 1.25 1.25 0.00 0.00 0.00 175.76 176.77 1pg8 h LEU 28 N 10.14 0.20 -9.27 0.00 6.46 -1.91 -3.40 115.31 117.53 1pg8 h LEU 28 Ca -0.49 -0.54 -0.58 0.00 -0.12 0.00 0.00 57.88 56.15 1pg8 h LEU 28 Cb 1.23 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 41.02 1pg8 h LEU 28 CO 0.94 0.70 -0.14 -0.69 -0.62 0.00 0.00 178.44 178.64 1pg8 s VAL 29 N -4.05 5.18 0.47 1.05 1.01 -1.26 -4.87 120.40 117.93 1pg8 s VAL 29 Ca -0.15 0.91 -0.24 0.00 0.00 0.00 0.00 61.98 62.49 1pg8 s VAL 29 Cb 0.03 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 1pg8 s VAL 29 CO 0.72 0.29 1.39 -2.84 0.00 0.00 0.00 175.10 174.67 1pg8 s PRO 30 N 0.87 3.58 0.61 2.72 0.02 -1.26 -4.95 135.00 136.58 1pg8 s PRO 30 Ca 0.24 2.33 -0.16 0.00 0.02 0.00 0.00 61.00 63.43 1pg8 s PRO 30 Cb -0.15 -2.56 -0.02 0.00 0.02 0.00 0.00 34.50 31.79 1pg8 s PRO 30 CO 0.09 -0.87 1.09 -1.25 -0.33 0.00 0.00 177.00 175.73 1pg8 s PRO 31 N -2.55 3.10 -0.14 5.54 0.04 -1.26 -5.00 135.00 134.73 1pg8 s PRO 31 Ca 0.63 1.36 -0.15 0.00 0.04 0.00 0.00 61.00 62.89 1pg8 s PRO 31 Cb -0.42 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1pg8 s PRO 31 CO 0.53 -1.01 0.34 0.08 0.04 0.00 0.00 177.00 176.98 1pg8 s VAL 32 N -2.27 5.27 -1.00 -0.36 1.01 -1.26 -4.83 120.40 116.95 1pg8 s VAL 32 Ca 0.67 0.66 -0.03 0.00 0.00 0.00 0.00 61.98 63.28 1pg8 s VAL 32 Cb -0.19 -3.68 0.30 0.00 0.00 0.00 0.00 36.38 32.80 1pg8 s VAL 32 CO 0.37 0.39 1.32 -1.22 0.00 0.00 0.00 175.10 175.96 1pg8 n TYR 33 N 3.47 2.70 -2.53 5.22 4.02 -1.26 -4.89 117.16 123.89 1pg8 n TYR 33 Ca -0.11 -2.95 -0.43 0.00 -0.01 0.00 0.00 57.90 54.40 1pg8 n TYR 33 Cb 0.52 -1.16 0.00 0.00 -0.02 0.00 0.00 39.34 38.68 1pg8 n TYR 33 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1pg8 n GLN 34 N 1.33 3.58 -3.86 -0.72 -0.06 -1.26 -4.81 117.38 111.58 1pg8 n GLN 34 Ca 0.26 -3.65 -0.12 0.00 -2.00 0.00 0.00 57.00 51.50 1pg8 n GLN 34 Cb 0.35 -2.94 -0.14 0.00 -4.06 0.00 0.00 30.24 23.45 1pg8 n GLN 34 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1pg8 s THR 35 N 0.62 -0.00 -0.04 1.69 -1.32 -1.26 -5.06 115.64 110.27 1pg8 s THR 35 Ca 0.40 0.01 -0.23 0.00 -1.21 0.00 0.00 61.69 60.66 1pg8 s THR 35 Cb 0.06 -0.06 -0.25 0.00 -1.51 0.00 0.00 72.50 70.74 1pg8 s THR 35 CO 0.01 0.00 1.01 0.00 -2.21 0.00 0.00 174.62 173.43 1pg8 h ALA 36 N 6.13 0.02 -2.08 11.08 0.00 -1.99 -3.42 119.26 129.00 1pg8 h ALA 36 Ca -0.25 -0.55 -0.55 0.00 0.00 0.00 0.00 54.91 53.56 1pg8 h ALA 36 Cb 1.21 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 1pg8 h ALA 36 CO 0.49 0.23 -0.70 -0.08 0.00 0.00 0.00 179.25 179.19 1pg8 s THR 37 N -2.95 2.00 0.19 0.00 -1.32 -1.26 -1.36 115.64 110.94 1pg8 s THR 37 Ca -0.15 -2.22 0.06 0.00 -1.21 0.00 0.00 61.69 58.17 1pg8 s THR 37 Cb 0.02 -2.42 -0.05 0.00 -1.51 0.00 0.00 72.50 68.54 1pg8 s THR 37 CO 0.78 -0.34 -0.10 -0.36 -2.21 0.00 0.00 174.62 172.40 1pg8 s PHE 38 N -2.79 1.51 0.21 9.09 0.40 -0.95 -4.95 117.98 120.51 1pg8 s PHE 38 Ca 0.29 -0.70 0.10 0.00 -0.60 0.00 0.00 56.93 56.02 1pg8 s PHE 38 Cb 0.01 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.73 1pg8 s PHE 38 CO 0.13 0.19 -0.12 0.99 0.70 0.00 0.00 175.22 177.11 1pg8 s THR 39 N -3.18 3.01 0.04 0.64 2.01 -1.26 -4.82 115.64 112.07 1pg8 s THR 39 Ca 0.21 -1.86 0.06 0.00 0.31 0.00 0.00 61.69 60.42 1pg8 s THR 39 Cb 0.02 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1pg8 s THR 39 CO 0.05 -0.19 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.27 1pg8 s PHE 40 N -1.91 2.62 0.17 4.92 2.99 -1.26 -5.02 117.98 120.50 1pg8 s PHE 40 Ca 0.26 -0.21 -0.07 0.00 0.00 0.00 0.00 56.93 56.90 1pg8 s PHE 40 Cb -0.08 -1.49 0.04 0.00 0.00 0.00 0.00 43.02 41.50 1pg8 s PHE 40 CO 0.15 0.28 1.51 -1.00 -0.00 0.00 0.00 175.22 176.16 1pg8 h PRO 41 N 4.50 0.80 -5.00 0.24 0.13 -2.00 -3.46 132.00 127.20 1pg8 h PRO 41 Ca -0.48 -0.43 -0.38 0.00 -0.87 0.00 0.00 66.00 63.84 1pg8 h PRO 41 Cb 1.16 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 1pg8 h PRO 41 CO 0.49 1.06 -0.62 0.95 -0.23 0.00 0.00 178.00 179.64 1pg8 s THR 42 N -4.30 0.81 0.28 1.56 -4.23 -1.26 -5.04 115.64 103.46 1pg8 s THR 42 Ca -0.10 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.45 1pg8 s THR 42 Cb 0.11 -2.59 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1pg8 s THR 42 CO 0.86 -0.09 1.69 -0.37 -0.54 0.00 0.00 174.62 176.17 1pg8 h VAL 43 N 2.35 1.30 -0.50 2.29 -1.51 -1.99 -3.04 116.25 115.16 1pg8 h VAL 43 Ca -0.39 -1.46 -0.08 0.00 -1.23 0.00 0.00 66.70 63.55 1pg8 h VAL 43 Cb 1.24 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.96 1pg8 h VAL 43 CO 0.64 0.45 0.01 -0.33 -1.23 0.00 0.00 177.57 177.11 1pg8 h GLU 44 N 0.29 0.87 -0.69 5.19 3.07 -1.99 0.16 114.58 121.49 1pg8 h GLU 44 Ca 0.03 -0.27 0.11 0.00 -0.50 0.00 0.00 59.36 58.73 1pg8 h GLU 44 Cb 0.79 -0.08 -0.08 0.00 -0.84 0.00 0.00 28.75 28.54 1pg8 h GLU 44 CO 0.06 0.90 0.28 -0.92 -1.40 0.00 0.00 179.01 177.94 1pg8 h TYR 45 N 0.74 0.50 0.00 4.33 3.20 -1.97 -2.26 116.97 121.51 1pg8 h TYR 45 Ca 0.14 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 1pg8 h TYR 45 Cb 0.50 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1pg8 h TYR 45 CO 0.04 0.12 -0.45 0.78 -1.64 0.00 0.00 178.16 177.01 1pg8 h GLY 46 N 0.47 0.00 0.98 1.82 0.00 -1.22 -2.42 103.07 102.69 1pg8 h GLY 46 Ca 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 1pg8 h GLY 46 CO -0.33 0.00 0.16 0.00 0.00 0.00 0.00 176.54 176.37 1pg8 h ALA 47 N 1.55 0.33 -0.35 3.60 0.00 -0.26 -2.95 119.26 121.18 1pg8 h ALA 47 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pg8 h ALA 47 Cb 0.82 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1pg8 h ALA 47 CO 0.06 -0.17 0.20 0.00 0.00 0.00 0.00 179.25 179.33 1pg8 h ALA 48 N 1.06 1.68 -0.34 0.00 0.00 -1.16 -2.48 119.26 118.02 1pg8 h ALA 48 Ca 0.09 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1pg8 h ALA 48 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1pg8 h ALA 48 CO -0.02 0.27 -0.30 0.00 0.00 0.00 0.00 179.25 179.20 1pg8 h PHE 50 N 0.63 0.00 0.00 0.00 -1.00 -1.54 -3.34 116.94 111.69 1pg8 h PHE 50 Ca 0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1pg8 h PHE 50 Cb 0.83 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.39 1pg8 h PHE 50 CO 0.04 0.78 -0.02 0.00 -1.61 0.00 0.00 178.31 177.50 1pg8 h ALA 51 N 1.22 0.99 0.00 2.45 0.00 -1.13 -3.48 119.26 119.31 1pg8 h ALA 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pg8 h ALA 51 Cb 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1pg8 h ALA 51 CO 0.10 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1pg8 n GLY 52 N 1.27 2.50 3.87 0.00 0.00 -0.83 -5.07 105.19 106.93 1pg8 n GLY 52 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1pg8 n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pg8 s GLU 53 N -0.53 1.38 -0.92 1.61 2.12 -1.00 -4.30 118.70 117.06 1pg8 s GLU 53 Ca 0.00 0.05 -0.11 0.00 0.36 0.00 0.00 54.97 55.26 1pg8 s GLU 53 Cb 0.00 -1.89 0.11 0.00 0.26 0.00 0.00 34.13 32.61 1pg8 s GLU 53 CO 0.00 -1.99 0.28 0.94 -0.54 0.00 0.00 175.26 173.95 1pg8 n GLN 54 N -3.57 -0.86 -1.72 4.30 -0.06 -1.26 -4.11 117.38 110.10 1pg8 n GLN 54 Ca 0.09 0.07 -0.43 0.00 -2.00 0.00 0.00 57.00 54.73 1pg8 n GLN 54 Cb 0.60 -2.28 -0.03 0.00 -4.06 0.00 0.00 30.24 24.47 1pg8 n GLN 54 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1pg8 n ALA 55 N -2.26 2.59 -2.65 1.69 0.00 -1.26 -4.75 120.51 113.87 1pg8 n ALA 55 Ca 0.05 0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.86 1pg8 n ALA 55 Cb 0.23 -2.49 -0.01 0.00 0.00 0.00 0.00 19.45 17.17 1pg8 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pg8 n GLY 56 N 3.54 -0.97 0.29 0.00 0.00 -1.26 -5.12 105.19 101.66 1pg8 n GLY 56 Ca 0.15 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1pg8 n GLY 56 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pg8 n HIS 57 N -0.42 -0.55 0.00 1.61 8.25 -1.26 -5.01 115.22 117.83 1pg8 n HIS 57 Ca -0.28 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1pg8 n HIS 57 Cb 0.64 -1.82 0.00 0.00 1.12 0.00 0.00 29.99 29.93 1pg8 n HIS 57 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1pg8 n PHE 58 N -0.29 0.00 -3.62 4.41 -1.74 -1.26 -4.70 117.46 110.26 1pg8 n PHE 58 Ca 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.85 1pg8 n PHE 58 Cb 0.00 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 40.94 1pg8 n PHE 58 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1pg8 s TYR 59 N -1.77 -0.97 0.53 2.97 6.14 -1.26 -2.23 117.35 120.75 1pg8 s TYR 59 Ca 0.00 1.85 0.42 0.00 0.64 0.00 0.00 57.07 59.99 1pg8 s TYR 59 Cb 0.00 0.58 2.18 0.00 0.42 0.00 0.00 41.96 45.14 1pg8 s TYR 59 CO 0.00 -0.48 2.28 0.77 0.64 0.00 0.00 175.55 178.76 1pg8 h SER 60 N 7.01 0.00 -0.31 4.32 0.02 -1.23 -2.33 113.55 121.03 1pg8 h SER 60 Ca -0.26 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1pg8 h SER 60 Cb 1.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 1pg8 h SER 60 CO 0.15 0.00 0.19 -0.09 -1.14 0.00 0.00 176.83 175.94 1pg8 h ARG 61 N 0.00 0.42 0.01 3.45 2.43 -1.96 -3.15 114.38 115.59 1pg8 h ARG 61 Ca 0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1pg8 h ARG 61 Cb 0.12 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1pg8 h ARG 61 CO 0.00 0.32 -0.01 0.82 -1.51 0.00 0.00 179.97 179.60 1pg8 h ILE 62 N 0.40 1.40 -2.01 1.20 5.03 -1.83 -3.45 117.51 118.25 1pg8 h ILE 62 Ca 0.11 -1.25 0.11 0.00 -0.12 0.00 0.00 64.86 63.71 1pg8 h ILE 62 Cb 0.01 2.24 -0.18 0.00 -3.03 0.00 0.00 36.82 35.86 1pg8 h ILE 62 CO -0.02 0.32 0.53 -0.55 -0.68 0.00 0.00 178.15 177.75 1pg8 s SER 63 N -5.72 -0.35 -0.28 1.72 0.15 -0.92 -5.00 113.70 103.29 1pg8 s SER 63 Ca -0.16 0.12 -0.21 0.00 0.70 0.00 0.00 55.95 56.40 1pg8 s SER 63 Cb 0.01 0.34 0.12 0.00 -1.71 0.00 0.00 66.02 64.79 1pg8 s SER 63 CO 0.67 -0.51 0.96 0.21 1.20 0.00 0.00 173.24 175.76 1pg8 s ASN 64 N -2.05 -0.54 0.39 5.45 3.84 -1.26 -3.37 114.94 117.39 1pg8 s ASN 64 Ca 0.03 0.95 0.07 0.00 0.21 0.00 0.00 52.86 54.13 1pg8 s ASN 64 Cb -0.01 1.08 0.79 0.00 -0.55 0.00 0.00 41.25 42.56 1pg8 s ASN 64 CO -0.05 -0.16 1.98 -0.65 -2.79 0.00 0.00 177.10 175.43 1pg8 h PRO 65 N 5.16 0.45 -0.52 0.43 0.11 -1.98 0.34 132.00 135.98 1pg8 h PRO 65 Ca -0.28 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 1pg8 h PRO 65 Cb 1.19 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1pg8 h PRO 65 CO 0.14 0.40 0.25 1.15 -0.21 0.00 0.00 178.00 179.72 1pg8 h THR 66 N 0.44 1.20 -0.36 -1.15 2.02 -1.88 -1.26 112.91 111.92 1pg8 h THR 66 Ca 0.11 -0.58 -0.12 0.00 0.77 0.00 0.00 66.41 66.59 1pg8 h THR 66 Cb 0.14 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1pg8 h THR 66 CO -0.01 0.23 -0.26 -0.07 0.37 0.00 0.00 175.52 175.78 1pg8 h LEU 67 N 0.70 0.75 -0.77 2.58 4.07 -1.62 -2.92 115.31 118.11 1pg8 h LEU 67 Ca 0.18 -0.28 -0.05 0.00 0.08 0.00 0.00 57.88 57.81 1pg8 h LEU 67 Cb 0.13 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 1pg8 h LEU 67 CO -0.02 0.97 0.28 0.78 -1.08 0.00 0.00 178.44 179.38 1pg8 h ASN 68 N 0.64 1.08 0.10 -0.43 -0.26 -0.07 -0.38 115.58 116.25 1pg8 h ASN 68 Ca 0.08 -0.19 -0.00 0.00 -0.56 0.00 0.00 56.30 55.63 1pg8 h ASN 68 Cb 0.76 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1pg8 h ASN 68 CO 0.06 0.97 -0.05 0.25 -1.06 0.00 0.00 177.43 177.60 1pg8 h LEU 69 N 1.12 -0.11 -0.72 1.61 5.85 -1.17 -0.64 115.31 121.24 1pg8 h LEU 69 Ca 0.25 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 59.05 1pg8 h LEU 69 Cb 0.25 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.22 1pg8 h LEU 69 CO -0.02 -0.03 0.29 0.25 -0.34 0.00 0.00 178.44 178.60 1pg8 h LEU 70 N -0.19 0.28 0.18 2.25 5.85 -1.30 -1.70 115.31 120.69 1pg8 h LEU 70 Ca -0.01 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1pg8 h LEU 70 Cb 0.15 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1pg8 h LEU 70 CO 0.02 0.13 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.83 1pg8 h GLU 71 N 0.45 -0.24 -0.78 1.25 5.08 -0.74 -0.82 114.58 118.79 1pg8 h GLU 71 Ca 0.39 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.84 1pg8 h GLU 71 Cb 0.55 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 1pg8 h GLU 71 CO -0.37 0.01 0.44 0.00 -1.00 0.00 0.00 179.01 178.09 1pg8 h ALA 72 N 0.29 1.08 -0.14 3.43 0.00 -0.92 0.33 119.26 123.33 1pg8 h ALA 72 Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pg8 h ALA 72 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1pg8 h ALA 72 CO 0.04 0.10 0.01 -0.09 0.00 0.00 0.00 179.25 179.32 1pg8 h ARG 73 N 0.78 0.25 -0.58 0.00 2.43 -1.15 -0.15 114.38 115.96 1pg8 h ARG 73 Ca 0.36 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1pg8 h ARG 73 Cb 0.28 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1pg8 h ARG 73 CO -0.22 0.45 0.20 0.52 -1.51 0.00 0.00 179.97 179.42 1pg8 h MET 74 N 0.00 0.86 -0.45 0.20 2.86 -0.89 -1.05 114.93 116.47 1pg8 h MET 74 Ca 0.04 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1pg8 h MET 74 Cb 0.34 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1pg8 h MET 74 CO 0.01 0.72 0.28 0.00 1.06 0.00 0.00 176.91 178.98 1pg8 h ALA 75 N 1.39 0.57 -0.91 6.32 0.00 -0.56 -1.02 119.26 125.03 1pg8 h ALA 75 Ca 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1pg8 h ALA 75 Cb 0.21 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1pg8 h ALA 75 CO -0.01 -0.02 0.60 1.03 0.00 0.00 0.00 179.25 180.85 1pg8 h SER 76 N 0.57 1.04 -0.33 0.00 0.87 -0.55 -0.31 113.55 114.83 1pg8 h SER 76 Ca 0.17 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1pg8 h SER 76 Cb -0.03 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 1pg8 h SER 76 CO -0.06 0.74 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.77 1pg8 h LEU 77 N 1.22 0.70 0.00 2.23 4.07 -0.71 -2.83 115.31 119.99 1pg8 h LEU 77 Ca 0.34 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1pg8 h LEU 77 Cb -0.12 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.42 1pg8 h LEU 77 CO -0.08 0.95 0.00 -0.62 -1.08 0.00 0.00 178.44 177.61 1pg8 n GLU 78 N -4.36 0.01 -1.77 1.13 -0.58 -0.43 -4.85 120.64 109.79 1pg8 n GLU 78 Ca -0.03 0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 1pg8 n GLU 78 Cb 0.38 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 1pg8 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pg8 n GLY 79 N 1.33 0.61 3.99 0.62 0.00 -0.27 -4.63 105.19 106.84 1pg8 n GLY 79 Ca 0.07 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1pg8 n GLY 79 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pg8 s GLY 80 N -2.68 1.81 0.12 -0.02 0.00 -0.40 -4.92 107.32 101.24 1pg8 s GLY 80 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.16 1pg8 s GLY 80 CO 0.00 -1.20 1.26 0.83 0.00 0.00 0.00 173.10 173.99 1pg8 h GLU 81 N -0.01 0.20 -3.19 2.90 5.08 -1.73 -3.40 114.58 114.43 1pg8 h GLU 81 Ca -0.39 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 57.58 1pg8 h GLU 81 Cb 1.29 0.09 -0.19 0.00 0.50 0.00 0.00 28.75 30.44 1pg8 h GLU 81 CO 0.47 1.07 -0.30 0.00 -1.00 0.00 0.00 179.01 179.25 1pg8 s ALA 82 N -2.90 -0.68 0.24 3.43 0.00 -0.38 -4.79 121.76 116.69 1pg8 s ALA 82 Ca -0.03 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.15 1pg8 s ALA 82 Cb 0.09 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1pg8 s ALA 82 CO 0.85 -0.30 -0.09 0.20 0.00 0.00 0.00 175.76 176.42 1pg8 s GLY 83 N -1.57 1.61 -0.04 0.00 0.00 -1.26 -1.48 107.32 104.58 1pg8 s GLY 83 Ca -0.11 -1.77 -0.05 0.00 0.00 0.00 0.00 44.72 42.79 1pg8 s GLY 83 CO 0.02 -1.78 0.12 -2.27 0.00 0.00 0.00 173.10 169.19 1pg8 s LEU 84 N -3.37 1.55 -0.05 0.66 0.20 0.20 -4.84 118.68 113.04 1pg8 s LEU 84 Ca 0.26 0.16 0.06 0.00 0.69 0.00 0.00 54.13 55.30 1pg8 s LEU 84 Cb 0.02 0.45 -0.01 0.00 -0.43 0.00 0.00 46.19 46.22 1pg8 s LEU 84 CO 0.09 -0.10 -0.25 0.00 -0.29 0.00 0.00 176.35 175.81 1pg8 s ALA 85 N -0.18 2.18 0.31 5.97 0.00 -1.26 -1.01 121.76 127.77 1pg8 s ALA 85 Ca -0.03 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1pg8 s ALA 85 Cb -0.02 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 1pg8 s ALA 85 CO 0.00 0.43 0.17 -0.51 0.00 0.00 0.00 175.76 175.85 1pg8 s LEU 86 N -0.21 1.70 0.37 0.00 1.02 0.32 -4.46 118.68 117.42 1pg8 s LEU 86 Ca -0.02 -1.58 0.27 0.00 0.02 0.00 0.00 54.13 52.83 1pg8 s LEU 86 Cb -0.13 0.21 1.01 0.00 0.02 0.00 0.00 46.19 47.29 1pg8 s LEU 86 CO 0.03 -0.90 1.80 0.00 0.02 0.00 0.00 176.35 177.30 1pg8 h ALA 87 N 2.19 1.00 -2.55 4.21 0.00 -1.46 -1.03 119.26 121.61 1pg8 h ALA 87 Ca -0.33 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.69 1pg8 h ALA 87 Cb 1.25 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1pg8 h ALA 87 CO 0.51 0.00 0.40 -1.54 0.00 0.00 0.00 179.25 178.62 1pg8 s SER 88 N -5.03 -0.31 0.16 0.00 1.04 -1.26 -3.34 113.70 104.95 1pg8 s SER 88 Ca 0.05 -0.25 -0.21 0.00 0.48 0.00 0.00 55.95 56.02 1pg8 s SER 88 Cb 0.09 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.78 1pg8 s SER 88 CO 0.51 -0.91 1.64 1.23 0.98 0.00 0.00 173.24 176.69 1pg8 h GLY 89 N 2.00 -0.04 1.64 7.32 0.00 -1.70 -0.25 103.07 112.04 1pg8 h GLY 89 Ca -0.24 0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.39 1pg8 h GLY 89 CO 0.29 -0.19 0.14 -0.33 0.00 0.00 0.00 176.54 176.45 1pg8 h MET 90 N -0.18 0.00 -0.42 4.80 2.86 -1.91 -1.09 114.93 118.99 1pg8 h MET 90 Ca 0.16 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1pg8 h MET 90 Cb 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1pg8 h MET 90 CO -0.41 0.00 -0.03 0.78 1.06 0.00 0.00 176.91 178.31 1pg8 h GLY 91 N 0.00 0.83 1.01 8.32 0.00 -1.44 -1.11 103.07 110.68 1pg8 h GLY 91 Ca 0.07 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1pg8 h GLY 91 CO -0.00 0.58 0.51 0.00 0.00 0.00 0.00 176.54 177.63 1pg8 h ALA 92 N 0.88 1.05 0.12 3.60 0.00 -0.54 -1.66 119.26 122.71 1pg8 h ALA 92 Ca 0.12 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1pg8 h ALA 92 Cb 0.53 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1pg8 h ALA 92 CO 0.03 0.50 -0.96 0.82 0.00 0.00 0.00 179.25 179.64 1pg8 h ILE 93 N 1.12 1.38 -0.24 0.00 2.04 -1.34 -2.28 117.51 118.19 1pg8 h ILE 93 Ca 0.30 -2.48 -0.03 0.00 1.00 0.00 0.00 64.86 63.65 1pg8 h ILE 93 Cb -0.06 3.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 1pg8 h ILE 93 CO -0.06 0.70 0.04 0.71 0.00 0.00 0.00 178.15 179.54 1pg8 h THR 94 N -0.40 1.22 -0.45 -0.27 1.35 -1.30 -1.18 112.91 111.88 1pg8 h THR 94 Ca -0.19 -0.75 -0.01 0.00 -0.55 0.00 0.00 66.41 64.92 1pg8 h THR 94 Cb 1.64 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 69.29 1pg8 h THR 94 CO 0.11 0.24 0.24 0.28 -0.25 0.00 0.00 175.52 176.14 1pg8 h SER 95 N 0.21 0.55 0.20 5.36 0.02 -1.38 0.69 113.55 119.19 1pg8 h SER 95 Ca 0.07 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1pg8 h SER 95 Cb 0.31 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1pg8 h SER 95 CO 0.00 0.45 -0.09 0.74 -1.14 0.00 0.00 176.83 176.79 1pg8 h THR 96 N 0.63 0.88 -0.19 -2.27 2.02 -1.22 -3.04 112.91 109.72 1pg8 h THR 96 Ca 0.16 -0.84 -0.14 0.00 0.77 0.00 0.00 66.41 66.36 1pg8 h THR 96 Cb 0.02 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1pg8 h THR 96 CO -0.03 0.18 -0.43 -0.07 0.37 0.00 0.00 175.52 175.54 1pg8 h LEU 97 N -0.71 0.72 -1.56 2.58 3.38 -1.01 -2.16 115.31 116.55 1pg8 h LEU 97 Ca -0.03 -0.56 0.23 0.00 0.09 0.00 0.00 57.88 57.61 1pg8 h LEU 97 Cb 0.49 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 1pg8 h LEU 97 CO 0.04 1.15 0.63 -0.50 0.09 0.00 0.00 178.44 179.85 1pg8 h TRP 98 N 0.32 0.47 0.07 1.13 -0.00 -0.99 -1.99 115.95 114.96 1pg8 h TRP 98 Ca 0.00 0.02 -0.25 0.00 -0.00 0.00 0.00 58.89 58.66 1pg8 h TRP 98 Cb 1.04 -0.14 0.02 0.00 -0.00 0.00 0.00 29.16 30.08 1pg8 h TRP 98 CO 0.09 0.10 -1.02 1.15 -0.00 0.00 0.00 178.44 178.76 1pg8 h THR 99 N 0.33 1.34 0.00 1.49 2.02 -1.33 -3.36 112.91 113.39 1pg8 h THR 99 Ca 0.49 -2.33 -0.02 0.00 0.77 0.00 0.00 66.41 65.32 1pg8 h THR 99 Cb 1.35 2.66 -0.00 0.00 -1.74 0.00 0.00 68.15 70.42 1pg8 h THR 99 CO -0.17 0.70 -0.54 -0.07 0.37 0.00 0.00 175.52 175.81 1pg8 h LEU 100 N 0.15 0.00 -9.15 2.58 3.38 -0.81 -3.47 115.31 107.99 1pg8 h LEU 100 Ca -0.15 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.15 1pg8 h LEU 100 Cb 1.71 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 42.28 1pg8 h LEU 100 CO 0.20 0.07 -0.78 -0.76 0.09 0.00 0.00 178.44 177.26 1pg8 s LEU 101 N -5.85 2.79 0.10 1.67 1.43 -0.80 -4.97 118.68 113.05 1pg8 s LEU 101 Ca 0.03 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1pg8 s LEU 101 Cb 0.07 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1pg8 s LEU 101 CO 0.73 0.17 0.10 -0.13 0.23 0.00 0.00 176.35 177.46 1pg8 s ARG 102 N -2.22 0.84 0.05 1.70 1.81 -1.26 -4.86 118.95 115.00 1pg8 s ARG 102 Ca 0.19 -1.19 -0.33 0.00 -1.72 0.00 0.00 55.73 52.68 1pg8 s ARG 102 Cb -0.10 0.28 -0.12 0.00 -0.45 0.00 0.00 34.95 34.55 1pg8 s ARG 102 CO 0.11 -0.24 1.76 -2.30 -0.68 0.00 0.00 175.30 173.95 1pg8 n PRO 103 N -0.04 2.28 0.00 3.54 -0.02 -1.26 -1.79 135.00 137.71 1pg8 n PRO 103 Ca -0.11 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1pg8 n PRO 103 Cb 0.62 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1pg8 n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pg8 n GLY 104 N 3.99 1.58 3.76 -1.23 0.00 -0.28 -4.98 105.19 108.04 1pg8 n GLY 104 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1pg8 n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg8 s ASP 105 N -0.47 4.94 0.16 1.61 -0.00 -0.74 -4.87 116.67 117.30 1pg8 s ASP 105 Ca 0.00 2.06 0.11 0.00 -0.00 0.00 0.00 52.55 54.72 1pg8 s ASP 105 Cb 0.00 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.92 40.32 1pg8 s ASP 105 CO 0.00 -1.75 -0.24 -0.70 -0.00 0.00 0.00 175.17 172.48 1pg8 s GLU 106 N -4.07 1.50 -0.04 8.23 2.12 0.01 -2.12 118.70 124.33 1pg8 s GLU 106 Ca 0.68 -1.43 0.03 0.00 0.36 0.00 0.00 54.97 54.61 1pg8 s GLU 106 Cb -0.22 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.28 1pg8 s GLU 106 CO 0.42 0.42 -0.12 0.54 -0.54 0.00 0.00 175.26 175.98 1pg8 s VAL 107 N -1.40 1.05 -0.06 3.70 0.11 0.23 -1.95 120.40 122.07 1pg8 s VAL 107 Ca 0.18 -0.50 -0.07 0.00 -2.93 0.00 0.00 61.98 58.66 1pg8 s VAL 107 Cb -0.09 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1pg8 s VAL 107 CO 0.08 0.32 0.21 -0.76 -3.33 0.00 0.00 175.10 171.62 1pg8 s LEU 108 N 0.21 4.39 0.07 2.54 1.43 -0.38 -1.87 118.68 125.07 1pg8 s LEU 108 Ca -0.05 0.53 0.06 0.00 -1.03 0.00 0.00 54.13 53.63 1pg8 s LEU 108 Cb -0.11 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 1pg8 s LEU 108 CO 0.01 0.34 -0.15 -0.76 0.23 0.00 0.00 176.35 176.02 1pg8 s LEU 109 N -1.35 2.25 0.91 1.79 1.43 0.21 -1.24 118.68 122.67 1pg8 s LEU 109 Ca 0.21 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 1pg8 s LEU 109 Cb -0.13 -0.61 0.09 0.00 0.03 0.00 0.00 46.19 45.56 1pg8 s LEU 109 CO 0.10 -0.02 0.81 0.61 0.23 0.00 0.00 176.35 178.09 1pg8 n GLY 110 N 1.45 -1.08 0.37 -3.19 0.00 -1.09 -0.97 105.19 100.68 1pg8 n GLY 110 Ca -0.20 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.21 1pg8 n GLY 110 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pg8 h ASN 111 N -1.58 0.76 -4.14 1.61 2.35 -1.82 -3.42 115.58 109.34 1pg8 h ASN 111 Ca -0.44 0.03 -0.50 0.00 -0.55 0.00 0.00 56.30 54.84 1pg8 h ASN 111 Cb 1.28 -0.13 -0.30 0.00 0.05 0.00 0.00 38.32 39.23 1pg8 h ASN 111 CO 0.39 0.43 -0.82 0.42 -1.65 0.00 0.00 177.43 176.21 1pg8 s THR 112 N -5.77 1.15 0.40 2.81 -4.23 -1.26 -5.01 115.64 103.73 1pg8 s THR 112 Ca -0.11 -0.61 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 1pg8 s THR 112 Cb 0.21 -0.97 -0.06 0.00 1.34 0.00 0.00 72.50 73.02 1pg8 s THR 112 CO 0.79 0.33 0.03 -0.76 -0.54 0.00 0.00 174.62 174.47 1pg8 s LEU 113 N -0.24 2.50 0.35 4.79 1.43 -1.26 -4.68 118.68 121.57 1pg8 s LEU 113 Ca 0.04 -1.45 -0.28 0.00 -1.03 0.00 0.00 54.13 51.41 1pg8 s LEU 113 Cb -0.07 -0.65 -0.11 0.00 0.03 0.00 0.00 46.19 45.40 1pg8 s LEU 113 CO -0.00 -0.61 1.44 -0.47 0.23 0.00 0.00 176.35 176.94 1pg8 s TYR 114 N -2.96 2.74 0.29 0.29 5.04 -1.26 -4.80 117.35 116.70 1pg8 s TYR 114 Ca 0.30 1.22 -0.02 0.00 -2.44 0.00 0.00 57.07 56.13 1pg8 s TYR 114 Cb 0.08 -3.92 0.65 0.00 0.35 0.00 0.00 41.96 39.12 1pg8 s TYR 114 CO 0.14 -2.68 1.58 0.78 -1.34 0.00 0.00 175.55 174.03 1pg8 h GLY 115 N 3.27 1.08 1.56 8.97 0.00 -1.99 0.01 103.07 115.97 1pg8 h GLY 115 Ca -0.50 0.19 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 1pg8 h GLY 115 CO 0.66 -0.46 -0.97 0.00 0.00 0.00 0.00 176.54 175.77 1pg8 h THR 117 N 0.00 1.19 -0.44 0.00 2.02 -1.73 0.18 112.91 114.13 1pg8 h THR 117 Ca -0.08 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.60 1pg8 h THR 117 Cb 1.54 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1pg8 h THR 117 CO 0.07 0.19 -0.10 0.15 0.37 0.00 0.00 175.52 176.20 1pg8 h PHE 118 N 0.90 0.86 0.11 3.16 3.57 -0.82 -1.14 116.94 123.58 1pg8 h PHE 118 Ca 0.24 -0.15 -0.28 0.00 3.53 0.00 0.00 57.97 61.31 1pg8 h PHE 118 Cb -0.04 -0.22 0.02 0.00 2.79 0.00 0.00 35.95 38.49 1pg8 h PHE 118 CO -0.02 0.85 -1.20 0.00 -2.23 0.00 0.00 178.31 175.71 1pg8 h ALA 119 N 1.17 0.10 -0.13 2.41 0.00 -1.03 -1.23 119.26 120.55 1pg8 h ALA 119 Ca 0.12 -0.81 0.01 0.00 0.00 0.00 0.00 54.91 54.24 1pg8 h ALA 119 Cb 0.58 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1pg8 h ALA 119 CO 0.04 0.82 0.04 0.35 0.00 0.00 0.00 179.25 180.50 1pg8 h PHE 120 N 0.18 0.08 0.42 0.00 3.57 -0.54 -0.07 116.94 120.57 1pg8 h PHE 120 Ca -0.15 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1pg8 h PHE 120 Cb 1.89 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.62 1pg8 h PHE 120 CO 0.09 0.04 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.94 1pg8 h LEU 121 N 0.11 -0.47 0.13 0.59 3.38 -1.17 0.16 115.31 118.03 1pg8 h LEU 121 Ca 0.05 -0.07 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 1pg8 h LEU 121 Cb 0.03 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1pg8 h LEU 121 CO -0.06 -0.21 -1.26 0.45 0.09 0.00 0.00 178.44 177.45 1pg8 h HIS 122 N -0.73 0.50 -0.02 1.13 3.86 -1.22 0.14 115.15 118.81 1pg8 h HIS 122 Ca -0.06 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1pg8 h HIS 122 Cb 0.52 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1pg8 h HIS 122 CO -0.01 1.29 -0.15 0.72 0.86 0.00 0.00 177.93 180.64 1pg8 n HIS 123 N -3.53 0.00 0.00 2.45 8.25 -0.05 -4.23 115.22 118.11 1pg8 n HIS 123 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1pg8 n HIS 123 Cb 1.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.14 1pg8 n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pg8 n GLY 124 N 0.98 0.83 0.37 -1.41 0.00 0.37 -4.73 105.19 101.60 1pg8 n GLY 124 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.28 1pg8 n GLY 124 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pg8 h ILE 125 N 0.00 0.77 -0.81 -0.61 2.10 -1.22 -1.82 117.51 115.92 1pg8 h ILE 125 Ca 0.00 -0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.91 1pg8 h ILE 125 Cb 0.00 0.77 -0.04 0.00 -1.09 0.00 0.00 36.82 36.46 1pg8 h ILE 125 CO 0.00 0.00 0.41 1.23 -1.08 0.00 0.00 178.15 178.71 1pg8 h GLY 126 N 0.00 1.24 0.17 8.18 0.00 -1.11 -1.34 103.07 110.21 1pg8 h GLY 126 Ca 0.22 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1pg8 h GLY 126 CO -0.00 0.57 0.00 1.18 0.00 0.00 0.00 176.54 178.28 1pg8 n GLU 127 N -4.37 0.70 -0.81 4.80 1.02 -0.69 -2.92 120.64 118.39 1pg8 n GLU 127 Ca 0.08 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1pg8 n GLU 127 Cb 0.12 -1.08 0.20 0.00 -0.02 0.00 0.00 31.44 30.66 1pg8 n GLU 127 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1pg8 n PHE 128 N -0.58 1.02 -1.10 -0.32 3.01 -0.50 -4.94 117.46 114.04 1pg8 n PHE 128 Ca 0.03 -1.61 0.00 0.00 1.01 0.00 0.00 57.45 56.88 1pg8 n PHE 128 Cb 0.01 -0.48 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 1pg8 n PHE 128 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pg8 n GLY 129 N -1.13 0.43 3.54 1.37 0.00 -1.15 -4.39 105.19 103.86 1pg8 n GLY 129 Ca 0.32 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 1pg8 n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pg8 s VAL 130 N -2.00 4.09 0.05 1.61 1.01 -1.22 -1.12 120.40 122.82 1pg8 s VAL 130 Ca 0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 1pg8 s VAL 130 Cb 0.00 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 1pg8 s VAL 130 CO 0.00 0.50 0.75 -0.54 0.00 0.00 0.00 175.10 175.81 1pg8 s LYS 131 N 0.24 4.48 -0.02 2.72 1.02 -0.90 -4.49 119.74 122.79 1pg8 s LYS 131 Ca -0.01 1.04 0.05 0.00 0.02 0.00 0.00 55.97 57.07 1pg8 s LYS 131 Cb -0.14 -3.35 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 1pg8 s LYS 131 CO 0.02 0.33 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.10 1pg8 s LEU 132 N -0.20 2.59 -0.19 3.17 1.43 -1.26 -0.60 118.68 123.61 1pg8 s LEU 132 Ca 0.37 -0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1pg8 s LEU 132 Cb -0.21 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.57 1pg8 s LEU 132 CO 0.23 0.32 0.44 -0.60 0.23 0.00 0.00 176.35 176.96 1pg8 s ARG 133 N -0.92 0.41 -0.33 1.70 3.52 -0.78 -4.96 118.95 117.58 1pg8 s ARG 133 Ca 0.12 0.90 -0.19 0.00 -0.13 0.00 0.00 55.73 56.43 1pg8 s ARG 133 Cb -0.10 0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.37 1pg8 s ARG 133 CO 0.02 -0.18 0.56 -1.01 -0.81 0.00 0.00 175.30 173.88 1pg8 s HIS 134 N 1.74 3.19 0.34 5.12 3.76 -1.26 -0.62 115.29 127.55 1pg8 s HIS 134 Ca -0.08 0.34 0.09 0.00 -0.15 0.00 0.00 55.06 55.27 1pg8 s HIS 134 Cb -0.09 -2.97 -0.06 0.00 1.11 0.00 0.00 32.58 30.58 1pg8 s HIS 134 CO -0.14 -0.52 -0.02 0.08 -0.85 0.00 0.00 174.74 173.29 1pg8 s VAL 135 N 2.50 2.57 -0.26 -0.90 1.01 -0.14 -4.87 120.40 120.30 1pg8 s VAL 135 Ca 0.21 -2.04 -0.23 0.00 0.00 0.00 0.00 61.98 59.92 1pg8 s VAL 135 Cb -0.15 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1pg8 s VAL 135 CO 0.13 -0.22 0.77 -0.62 0.00 0.00 0.00 175.10 175.16 1pg8 s ASP 136 N -3.68 6.72 -0.00 3.32 -1.08 -1.26 -2.46 116.67 118.23 1pg8 s ASP 136 Ca 0.34 0.85 0.16 0.00 -0.52 0.00 0.00 52.55 53.38 1pg8 s ASP 136 Cb -0.00 -2.40 0.48 0.00 -1.46 0.00 0.00 42.92 39.54 1pg8 s ASP 136 CO 0.19 -0.51 1.40 0.23 0.52 0.00 0.00 175.17 176.99 1pg8 n MET 137 N 5.99 2.30 0.04 4.34 2.81 -1.26 -2.09 117.12 129.24 1pg8 n MET 137 Ca 0.04 -1.95 0.04 0.00 -1.81 0.00 0.00 57.70 54.01 1pg8 n MET 137 Cb 0.48 -1.44 -0.07 0.00 -0.71 0.00 0.00 33.22 31.48 1pg8 n MET 137 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pg8 n ALA 138 N 1.06 2.17 -2.94 3.04 0.00 -1.26 -2.27 120.51 120.32 1pg8 n ALA 138 Ca 0.18 -0.51 -0.44 0.00 0.00 0.00 0.00 53.44 52.68 1pg8 n ALA 138 Cb 0.47 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1pg8 n ALA 138 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pg8 s ASP 139 N -5.50 6.68 0.50 0.00 3.68 -0.89 -4.76 116.67 116.38 1pg8 s ASP 139 Ca -0.03 -2.18 0.17 0.00 2.13 0.00 0.00 52.55 52.64 1pg8 s ASP 139 Cb 0.09 -2.39 1.21 0.00 -1.45 0.00 0.00 42.92 40.38 1pg8 s ASP 139 CO 0.82 -1.01 2.09 -0.07 0.13 0.00 0.00 175.17 177.13 1pg8 h LEU 140 N 10.24 0.00 0.09 -1.34 3.38 -1.87 -1.91 115.31 123.90 1pg8 h LEU 140 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1pg8 h LEU 140 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1pg8 h LEU 140 CO 1.11 0.08 -0.04 1.56 0.09 0.00 0.00 178.44 181.23 1pg8 h GLN 141 N 0.00 -0.12 -0.89 1.13 4.20 -1.95 -2.22 115.11 115.26 1pg8 h GLN 141 Ca -0.00 0.01 0.21 0.00 0.06 0.00 0.00 58.65 58.93 1pg8 h GLN 141 Cb 0.14 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 1pg8 h GLN 141 CO 0.01 0.42 0.60 0.00 -0.67 0.00 0.00 178.83 179.19 1pg8 h ALA 142 N -0.11 2.31 0.24 3.87 0.00 -1.89 -0.60 119.26 123.08 1pg8 h ALA 142 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pg8 h ALA 142 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1pg8 h ALA 142 CO 0.02 -0.59 -0.12 1.25 0.00 0.00 0.00 179.25 179.81 1pg8 h LEU 143 N 0.33 -0.28 -1.10 0.00 5.85 -1.32 -2.90 115.31 115.89 1pg8 h LEU 143 Ca 0.46 -0.25 0.35 0.00 0.84 0.00 0.00 57.88 59.28 1pg8 h LEU 143 Cb 1.25 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 42.21 1pg8 h LEU 143 CO -0.15 0.20 0.62 -0.08 -0.34 0.00 0.00 178.44 178.69 1pg8 h GLU 144 N -0.86 0.25 -0.00 1.25 4.57 -1.20 -1.15 114.58 117.44 1pg8 h GLU 144 Ca -0.03 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1pg8 h GLU 144 Cb 0.51 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1pg8 h GLU 144 CO 0.06 0.17 -0.01 0.00 -1.18 0.00 0.00 179.01 178.05 1pg8 n ALA 145 N -2.34 2.60 0.04 2.92 0.00 -0.25 -2.90 120.51 120.59 1pg8 n ALA 145 Ca 0.33 -0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.63 1pg8 n ALA 145 Cb 1.08 -1.49 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 1pg8 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pg8 n ALA 146 N -1.10 2.43 -1.67 0.00 0.00 -0.48 -5.01 120.51 114.68 1pg8 n ALA 146 Ca 0.19 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1pg8 n ALA 146 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 19.45 19.30 1pg8 n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1pg8 n MET 147 N -1.75 1.94 -4.34 0.00 2.00 -0.94 -5.02 117.12 109.01 1pg8 n MET 147 Ca -0.01 0.68 -0.17 0.00 0.00 0.00 0.00 57.70 58.20 1pg8 n MET 147 Cb 0.23 -2.23 -0.10 0.00 0.00 0.00 0.00 33.22 31.11 1pg8 n MET 147 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1pg8 s THR 148 N -0.88 1.07 0.43 2.03 -4.23 -1.26 -5.04 115.64 107.76 1pg8 s THR 148 Ca 0.59 -2.04 0.40 0.00 -1.18 0.00 0.00 61.69 59.46 1pg8 s THR 148 Cb -0.61 -2.36 0.42 0.00 1.34 0.00 0.00 72.50 71.29 1pg8 s THR 148 CO 0.59 -0.32 2.21 1.55 -0.54 0.00 0.00 174.62 178.12 1pg8 h PRO 149 N 2.45 0.00 -0.00 3.99 0.13 -1.96 -2.22 132.00 134.39 1pg8 h PRO 149 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1pg8 h PRO 149 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1pg8 h PRO 149 CO 0.65 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.42 1pg8 n ALA 150 N -2.09 2.67 -2.46 -0.56 0.00 -1.26 -4.84 120.51 111.97 1pg8 n ALA 150 Ca -0.01 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 1pg8 n ALA 150 Cb 0.17 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 1pg8 n ALA 150 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pg8 s THR 151 N -2.03 4.07 -0.19 0.00 2.01 -0.84 -0.81 115.64 117.85 1pg8 s THR 151 Ca 0.46 1.13 0.10 0.00 0.31 0.00 0.00 61.69 63.69 1pg8 s THR 151 Cb 0.22 -4.34 -0.19 0.00 0.01 0.00 0.00 72.50 68.20 1pg8 s THR 151 CO 0.37 -0.78 -0.05 0.54 -0.69 0.00 0.00 174.62 174.01 1pg8 n ARG 152 N 7.81 0.90 -3.88 4.92 5.12 -0.82 -4.46 116.66 126.25 1pg8 n ARG 152 Ca 0.14 0.05 -0.14 0.00 -1.93 0.00 0.00 57.85 55.97 1pg8 n ARG 152 Cb 0.48 -1.45 -0.15 0.00 -1.16 0.00 0.00 32.46 30.18 1pg8 n ARG 152 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1pg8 s VAL 153 N -2.43 0.04 -0.25 1.55 1.01 -1.22 -1.03 120.40 118.06 1pg8 s VAL 153 Ca -0.18 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1pg8 s VAL 153 Cb 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.36 1pg8 s VAL 153 CO 0.64 0.05 -0.02 -0.63 0.00 0.00 0.00 175.10 175.14 1pg8 s ILE 154 N 0.42 3.25 -0.08 2.22 1.01 0.31 -1.25 121.20 127.08 1pg8 s ILE 154 Ca -0.04 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.84 1pg8 s ILE 154 Cb -0.06 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.80 1pg8 s ILE 154 CO -0.01 0.22 -0.22 -0.47 0.00 0.00 0.00 174.94 174.46 1pg8 s TYR 155 N 1.40 2.36 0.22 3.97 5.04 -0.38 -0.88 117.35 129.09 1pg8 s TYR 155 Ca 0.02 -0.89 -0.22 0.00 -2.44 0.00 0.00 57.07 53.54 1pg8 s TYR 155 Cb -0.16 -1.58 0.04 0.00 0.35 0.00 0.00 41.96 40.61 1pg8 s TYR 155 CO -0.03 -0.35 0.68 -0.59 -1.34 0.00 0.00 175.55 173.92 1pg8 s PHE 156 N 0.26 -0.34 0.13 4.97 -0.71 -1.01 -2.66 117.98 118.63 1pg8 s PHE 156 Ca -0.15 -0.01 0.03 0.00 -1.04 0.00 0.00 56.93 55.76 1pg8 s PHE 156 Cb -0.17 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 1pg8 s PHE 156 CO 0.07 -1.06 0.19 -1.21 -1.34 0.00 0.00 175.22 171.87 1pg8 s GLU 157 N -3.83 3.15 -0.30 1.99 2.02 -1.26 -1.67 118.70 118.80 1pg8 s GLU 157 Ca 0.07 -0.70 -0.04 0.00 0.02 0.00 0.00 54.97 54.31 1pg8 s GLU 157 Cb -0.04 -2.82 0.18 0.00 0.10 0.00 0.00 34.13 31.56 1pg8 s GLU 157 CO -0.02 0.52 0.69 0.45 0.02 0.00 0.00 175.26 176.92 1pg8 s SER 158 N -2.98 -1.19 0.79 -0.19 0.15 -1.24 -3.83 113.70 105.20 1pg8 s SER 158 Ca 0.32 0.88 -0.13 0.00 0.70 0.00 0.00 55.95 57.72 1pg8 s SER 158 Cb -0.11 2.05 0.07 0.00 -1.71 0.00 0.00 66.02 66.33 1pg8 s SER 158 CO 0.26 -0.22 1.20 -2.84 1.20 0.00 0.00 173.24 172.83 1pg8 s PRO 159 N 2.86 1.78 0.01 5.44 0.02 -1.26 -4.83 135.00 139.02 1pg8 s PRO 159 Ca 0.13 1.71 -0.00 0.00 0.02 0.00 0.00 61.00 62.86 1pg8 s PRO 159 Cb -0.14 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1pg8 s PRO 159 CO -0.19 -2.10 0.11 0.00 -0.33 0.00 0.00 177.00 174.49 1pg8 s ALA 160 N -2.17 3.70 0.14 -1.55 0.00 -1.04 -4.86 121.76 115.99 1pg8 s ALA 160 Ca 0.72 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 1pg8 s ALA 160 Cb -0.28 -1.65 0.09 0.00 0.00 0.00 0.00 23.12 21.28 1pg8 s ALA 160 CO 0.50 0.73 1.05 -1.71 0.00 0.00 0.00 175.76 176.32 1pg8 n ASN 161 N 0.93 -0.54 0.05 0.00 5.15 -1.26 -1.74 115.26 117.84 1pg8 n ASN 161 Ca -0.11 1.19 -0.09 0.00 -0.60 0.00 0.00 54.58 54.97 1pg8 n ASN 161 Cb 0.52 -0.23 -0.07 0.00 -0.53 0.00 0.00 39.78 39.48 1pg8 n ASN 161 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1pg8 h PRO 162 N 0.00 -0.22 -0.01 1.20 0.13 -1.93 -3.41 132.00 127.77 1pg8 h PRO 162 Ca 0.19 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1pg8 h PRO 162 Cb 0.36 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.54 1pg8 h PRO 162 CO -0.66 0.17 0.00 0.09 -0.23 0.00 0.00 178.00 177.37 1pg8 n ASN 163 N -4.91 1.43 -1.09 1.44 4.13 -1.20 -4.87 115.26 110.19 1pg8 n ASN 163 Ca -0.07 -1.39 -0.07 0.00 1.68 0.00 0.00 54.58 54.73 1pg8 n ASN 163 Cb 0.24 -0.01 0.01 0.00 -1.54 0.00 0.00 39.78 38.49 1pg8 n ASN 163 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1pg8 n MET 164 N -0.14 -1.41 -2.50 3.52 2.81 -0.71 -4.88 117.12 113.81 1pg8 n MET 164 Ca 0.01 0.30 -0.43 0.00 -1.81 0.00 0.00 57.70 55.77 1pg8 n MET 164 Cb 0.11 -3.95 -0.02 0.00 -0.71 0.00 0.00 33.22 28.65 1pg8 n MET 164 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1pg8 s HIS 165 N -2.66 3.11 0.44 2.03 5.04 -1.24 -4.51 115.29 117.50 1pg8 s HIS 165 Ca 0.08 1.21 -0.11 0.00 -1.54 0.00 0.00 55.06 54.70 1pg8 s HIS 165 Cb -0.04 -3.41 -0.06 0.00 0.04 0.00 0.00 32.58 29.11 1pg8 s HIS 165 CO 0.10 -1.23 0.82 -1.64 -2.34 0.00 0.00 174.74 170.45 1pg8 s MET 166 N 2.82 3.77 0.04 2.88 -1.94 -1.26 -2.49 119.30 123.13 1pg8 s MET 166 Ca 0.53 0.54 0.09 0.00 -1.71 0.00 0.00 55.69 55.13 1pg8 s MET 166 Cb -0.21 -2.33 -0.03 0.00 2.01 0.00 0.00 34.83 34.26 1pg8 s MET 166 CO 0.16 -0.12 -0.24 0.00 -0.01 0.00 0.00 175.02 174.81 1pg8 s ALA 167 N -2.49 2.35 -0.87 3.03 0.00 -1.26 -4.07 121.76 118.44 1pg8 s ALA 167 Ca 0.52 -1.25 -0.24 0.00 0.00 0.00 0.00 51.96 51.00 1pg8 s ALA 167 Cb -0.10 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.52 1pg8 s ALA 167 CO 0.34 0.54 1.29 0.34 0.00 0.00 0.00 175.76 178.27 1pg8 s ASP 168 N -1.28 6.36 0.13 0.00 -1.08 -0.96 -4.81 116.67 115.03 1pg8 s ASP 168 Ca 0.12 -1.13 -0.12 0.00 -0.52 0.00 0.00 52.55 50.90 1pg8 s ASP 168 Cb -0.10 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.78 1pg8 s ASP 168 CO 0.03 -1.56 1.46 0.40 0.52 0.00 0.00 175.17 176.03 1pg8 h ILE 169 N 6.32 1.28 -0.65 4.11 2.04 -1.90 -0.01 117.51 128.69 1pg8 h ILE 169 Ca -0.03 -1.50 0.03 0.00 1.00 0.00 0.00 64.86 64.36 1pg8 h ILE 169 Cb 1.03 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 1pg8 h ILE 169 CO 1.31 0.50 0.41 0.00 0.00 0.00 0.00 178.15 180.36 1pg8 h ALA 170 N 0.76 0.85 -0.07 1.87 0.00 -1.87 -1.06 119.26 119.73 1pg8 h ALA 170 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pg8 h ALA 170 Cb 0.91 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1pg8 h ALA 170 CO 0.08 0.18 0.04 0.78 0.00 0.00 0.00 179.25 180.33 1pg8 h GLY 171 N 0.81 0.10 1.08 0.00 0.00 -1.70 -2.60 103.07 100.76 1pg8 h GLY 171 Ca 0.26 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.57 1pg8 h GLY 171 CO -0.10 0.04 0.58 -2.08 0.00 0.00 0.00 176.54 174.99 1pg8 h VAL 172 N 0.05 1.19 -0.52 4.60 2.07 -0.87 -2.94 116.25 119.83 1pg8 h VAL 172 Ca 0.03 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1pg8 h VAL 172 Cb 0.04 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.73 1pg8 h VAL 172 CO -0.00 0.21 0.08 0.00 0.02 0.00 0.00 177.57 177.88 1pg8 h ALA 173 N 1.47 0.68 -0.07 1.67 0.00 -0.91 -0.91 119.26 121.20 1pg8 h ALA 173 Ca 0.34 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1pg8 h ALA 173 Cb -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1pg8 h ALA 173 CO -0.09 0.42 -0.09 -0.22 0.00 0.00 0.00 179.25 179.28 1pg8 h LYS 174 N 0.74 -0.11 -0.63 0.00 3.64 -1.30 0.19 116.57 119.10 1pg8 h LYS 174 Ca 0.16 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1pg8 h LYS 174 Cb 0.40 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1pg8 h LYS 174 CO 0.01 -0.07 0.37 0.82 -2.27 0.00 0.00 179.45 178.31 1pg8 h ILE 175 N -0.12 1.04 -0.41 2.00 2.04 -1.37 -2.50 117.51 118.18 1pg8 h ILE 175 Ca 0.06 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 1pg8 h ILE 175 Cb 0.20 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1pg8 h ILE 175 CO -0.14 0.13 -0.09 0.00 0.00 0.00 0.00 178.15 178.05 1pg8 h ALA 176 N 1.29 1.06 -0.63 1.87 0.00 -0.27 -2.13 119.26 120.45 1pg8 h ALA 176 Ca 0.26 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1pg8 h ALA 176 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1pg8 h ALA 176 CO -0.13 0.58 0.28 0.00 0.00 0.00 0.00 179.25 179.98 1pg8 h ARG 177 N 0.66 0.92 -0.43 0.00 3.08 -0.29 -0.86 114.38 117.47 1pg8 h ARG 177 Ca 0.12 -0.15 0.05 0.00 0.07 0.00 0.00 59.98 60.07 1pg8 h ARG 177 Cb 0.55 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 1pg8 h ARG 177 CO 0.03 0.76 0.16 0.87 -1.07 0.00 0.00 179.97 180.72 1pg8 h LYS 178 N 0.88 0.32 -0.01 0.04 1.57 -1.15 -3.16 116.57 115.05 1pg8 h LYS 178 Ca 0.21 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1pg8 h LYS 178 Cb 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1pg8 h LYS 178 CO -0.02 0.21 -0.03 0.72 -0.57 0.00 0.00 179.45 179.76 1pg8 n HIS 179 N -5.00 0.00 -1.57 -1.35 8.25 -0.83 -4.94 115.22 109.78 1pg8 n HIS 179 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 1pg8 n HIS 179 Cb 0.16 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 1pg8 n HIS 179 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pg8 n GLY 180 N 1.14 1.02 3.87 -1.41 0.00 -0.44 -4.99 105.19 104.38 1pg8 n GLY 180 Ca 0.20 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1pg8 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg8 s ALA 181 N -2.51 3.51 -0.15 4.61 0.00 -0.53 -4.91 121.76 121.78 1pg8 s ALA 181 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 1pg8 s ALA 181 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 1pg8 s ALA 181 CO 0.00 0.44 0.34 0.99 0.00 0.00 0.00 175.76 177.53 1pg8 s THR 182 N -1.89 5.27 -0.23 0.00 2.01 -0.20 -4.49 115.64 116.12 1pg8 s THR 182 Ca 0.49 0.65 -0.09 0.00 0.31 0.00 0.00 61.69 63.05 1pg8 s THR 182 Cb -0.11 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1pg8 s THR 182 CO 0.21 0.38 0.11 -0.69 -0.69 0.00 0.00 174.62 173.94 1pg8 s VAL 183 N 0.48 4.94 -0.15 3.82 1.01 -1.26 -0.53 120.40 128.71 1pg8 s VAL 183 Ca 0.19 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1pg8 s VAL 183 Cb -0.13 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1pg8 s VAL 183 CO 0.05 0.37 -0.19 -0.69 0.00 0.00 0.00 175.10 174.64 1pg8 s VAL 184 N 1.05 1.91 -0.15 2.92 1.01 -0.06 -1.69 120.40 125.40 1pg8 s VAL 184 Ca 0.06 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 1pg8 s VAL 184 Cb -0.14 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1pg8 s VAL 184 CO 0.04 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 174.83 1pg8 s VAL 185 N 1.07 2.80 -0.60 2.92 1.01 -0.42 -2.40 120.40 124.78 1pg8 s VAL 185 Ca -0.02 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 1pg8 s VAL 185 Cb -0.14 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1pg8 s VAL 185 CO -0.06 0.51 1.18 -0.62 0.00 0.00 0.00 175.10 176.11 1pg8 s ASP 186 N 0.72 6.40 -0.29 3.32 -1.08 -0.67 -1.10 116.67 123.97 1pg8 s ASP 186 Ca -0.06 -0.02 0.12 0.00 -0.52 0.00 0.00 52.55 52.06 1pg8 s ASP 186 Cb -0.15 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.50 1pg8 s ASP 186 CO 0.01 -1.51 1.75 -3.20 0.52 0.00 0.00 175.17 172.74 1pg8 n ASN 187 N 8.48 4.89 -0.25 -0.34 4.05 -0.54 -3.71 115.26 127.84 1pg8 n ASN 187 Ca 0.07 -3.16 0.02 0.00 0.45 0.00 0.00 54.58 51.96 1pg8 n ASN 187 Cb 0.49 -0.71 0.14 0.00 1.23 0.00 0.00 39.78 40.93 1pg8 n ASN 187 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 1pg8 h THR 188 N 2.86 0.86 -0.01 -0.44 2.02 -1.91 -1.78 112.91 114.51 1pg8 h THR 188 Ca 0.17 -0.22 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 1pg8 h THR 188 Cb 2.14 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1pg8 h THR 188 CO 0.62 0.12 -0.55 1.88 0.37 0.00 0.00 175.52 177.95 1pg8 h TYR 189 N 0.64 0.04 0.04 3.16 -1.99 -1.90 -3.30 116.97 113.67 1pg8 h TYR 189 Ca 0.36 -0.01 -0.38 0.00 2.00 0.00 0.00 58.73 60.70 1pg8 h TYR 189 Cb 0.37 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 39.04 1pg8 h TYR 189 CO -0.10 0.57 -2.22 0.00 -0.00 0.00 0.00 178.16 176.42 1pg8 n THR 191 N -3.55 -0.27 0.50 0.00 -2.24 -0.68 -3.36 114.28 104.68 1pg8 n THR 191 Ca -0.41 0.41 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1pg8 n THR 191 Cb 0.97 -0.69 0.28 0.00 -2.10 0.00 0.00 70.33 68.80 1pg8 n THR 191 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1pg8 n PRO 192 N -3.43 0.10 0.03 -0.78 -0.04 -1.25 -2.04 135.00 127.59 1pg8 n PRO 192 Ca -0.04 0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 63.55 1pg8 n PRO 192 Cb 0.39 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1pg8 n PRO 192 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1pg8 h TYR 193 N 0.00 0.61 0.00 0.54 5.03 -1.89 -3.35 116.97 117.90 1pg8 h TYR 193 Ca 0.00 -0.24 0.00 0.00 2.58 0.00 0.00 58.73 61.07 1pg8 h TYR 193 Cb 0.15 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.33 1pg8 h TYR 193 CO 0.00 0.98 -1.41 1.28 -1.32 0.00 0.00 178.16 177.69 1pg8 n LEU 194 N -3.89 0.37 -3.64 2.82 4.77 -0.90 -4.83 117.00 111.69 1pg8 n LEU 194 Ca -0.04 -0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 55.67 1pg8 n LEU 194 Cb 0.66 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.68 1pg8 n LEU 194 CO 0.47 0.09 0.56 -1.58 -1.33 0.00 0.00 177.39 175.60 1pg8 s GLN 195 N -3.03 0.54 -0.53 3.23 0.74 -0.86 -1.64 119.66 118.12 1pg8 s GLN 195 Ca -0.01 0.87 0.04 0.00 0.05 0.00 0.00 55.36 56.31 1pg8 s GLN 195 Cb 0.13 0.15 0.16 0.00 1.10 0.00 0.00 33.01 34.54 1pg8 s GLN 195 CO 0.75 -0.10 0.38 1.03 -0.55 0.00 0.00 175.29 176.80 1pg8 s ARG 196 N 1.21 1.59 0.58 1.67 0.52 -1.26 -3.89 118.95 119.38 1pg8 s ARG 196 Ca -0.07 -2.56 0.29 0.00 -0.52 0.00 0.00 55.73 52.87 1pg8 s ARG 196 Cb -0.04 -2.40 1.44 0.00 0.52 0.00 0.00 34.95 34.46 1pg8 s ARG 196 CO -0.14 -1.30 1.85 -1.35 0.02 0.00 0.00 175.30 174.38 1pg8 h PRO 197 N 5.81 0.00 -0.10 3.54 0.11 -1.94 -1.81 132.00 137.60 1pg8 h PRO 197 Ca 0.16 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.17 1pg8 h PRO 197 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1pg8 h PRO 197 CO 0.53 0.00 -0.36 -0.07 -0.21 0.00 0.00 178.00 177.89 1pg8 h LEU 198 N 0.00 0.20 -0.22 2.35 3.38 -1.82 -0.30 115.31 118.90 1pg8 h LEU 198 Ca 0.27 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1pg8 h LEU 198 Cb 1.41 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1pg8 h LEU 198 CO -0.00 0.55 0.00 -0.33 0.09 0.00 0.00 178.44 178.75 1pg8 h GLU 199 N 0.17 0.00 -0.69 1.13 5.08 -1.60 -2.61 114.58 116.07 1pg8 h GLU 199 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1pg8 h GLU 199 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1pg8 h GLU 199 CO 0.05 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.34 1pg8 n LEU 200 N -2.65 3.76 0.00 1.33 4.77 -0.79 -4.96 117.00 118.46 1pg8 n LEU 200 Ca 0.04 -1.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 1pg8 n LEU 200 Cb 0.43 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1pg8 n LEU 200 CO 0.30 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 1pg8 n GLY 201 N 1.55 0.39 3.65 -0.72 0.00 -0.98 -3.59 105.19 105.49 1pg8 n GLY 201 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1pg8 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg8 n ALA 202 N -1.49 -0.61 -0.12 4.61 0.00 -0.19 -4.86 120.51 117.85 1pg8 n ALA 202 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 1pg8 n ALA 202 Cb 0.00 -2.18 -0.12 0.00 0.00 0.00 0.00 19.45 17.15 1pg8 n ALA 202 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pg8 n ASP 203 N -3.42 1.98 -4.06 0.00 8.00 -0.68 -4.44 116.55 113.92 1pg8 n ASP 203 Ca 0.12 0.04 -0.18 0.00 0.71 0.00 0.00 54.79 55.49 1pg8 n ASP 203 Cb 0.51 -0.58 -0.14 0.00 -0.02 0.00 0.00 41.12 40.89 1pg8 n ASP 203 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pg8 s LEU 204 N -6.88 2.11 0.05 0.64 1.43 -0.68 -3.67 118.68 111.67 1pg8 s LEU 204 Ca -0.35 -0.32 0.09 0.00 -1.03 0.00 0.00 54.13 52.52 1pg8 s LEU 204 Cb 0.10 -0.44 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 1pg8 s LEU 204 CO 0.58 0.03 -0.25 -0.69 0.23 0.00 0.00 176.35 176.25 1pg8 s VAL 205 N -0.61 2.05 0.10 -1.59 1.01 -0.05 -1.30 120.40 120.01 1pg8 s VAL 205 Ca 0.00 -1.37 0.06 0.00 0.00 0.00 0.00 61.98 60.68 1pg8 s VAL 205 Cb -0.06 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1pg8 s VAL 205 CO 0.00 0.32 -0.16 0.68 0.00 0.00 0.00 175.10 175.94 1pg8 s VAL 206 N -0.82 1.41 -0.00 2.92 -7.23 -0.26 -1.65 120.40 114.77 1pg8 s VAL 206 Ca 0.11 -1.56 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 1pg8 s VAL 206 Cb -0.10 -1.42 -0.00 0.00 0.56 0.00 0.00 36.38 35.42 1pg8 s VAL 206 CO 0.02 -0.25 0.01 -1.00 -0.31 0.00 0.00 175.10 173.57 1pg8 s HIS 207 N -1.60 0.06 -0.74 2.82 3.76 -0.48 -1.46 115.29 117.64 1pg8 s HIS 207 Ca 0.05 -0.12 -0.27 0.00 -0.15 0.00 0.00 55.06 54.58 1pg8 s HIS 207 Cb -0.08 -0.05 0.03 0.00 1.11 0.00 0.00 32.58 33.59 1pg8 s HIS 207 CO 0.03 -0.08 1.31 0.45 -0.85 0.00 0.00 174.74 175.61 1pg8 s SER 208 N -0.48 6.14 0.11 1.40 0.15 -1.26 -2.28 113.70 117.48 1pg8 s SER 208 Ca -0.05 -0.45 0.16 0.00 0.70 0.00 0.00 55.95 56.30 1pg8 s SER 208 Cb -0.03 -2.56 0.68 0.00 -1.71 0.00 0.00 66.02 62.40 1pg8 s SER 208 CO -0.00 -1.85 1.48 0.00 1.20 0.00 0.00 173.24 174.07 1pg8 n ALA 209 N 9.50 1.48 -0.14 5.45 0.00 0.63 -2.79 120.51 134.65 1pg8 n ALA 209 Ca 0.05 0.03 0.18 0.00 0.00 0.00 0.00 53.44 53.70 1pg8 n ALA 209 Cb 0.49 -1.25 0.57 0.00 0.00 0.00 0.00 19.45 19.26 1pg8 n ALA 209 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1pg8 h THR 210 N 0.00 0.74 0.00 0.00 2.02 -1.63 -2.15 112.91 111.89 1pg8 h THR 210 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1pg8 h THR 210 Cb 0.21 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1pg8 h THR 210 CO 0.00 0.05 0.00 0.29 0.37 0.00 0.00 175.52 176.23 1pg8 n LYS 211 N -4.44 0.00 0.08 6.66 4.76 -1.12 -4.51 118.16 119.58 1pg8 n LYS 211 Ca 0.14 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.55 1pg8 n LYS 211 Cb 0.61 0.00 0.18 0.00 -1.84 0.00 0.00 35.03 33.98 1pg8 n LYS 211 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1pg8 h TYR 212 N 0.00 0.34 -0.35 2.13 -1.99 -1.76 0.02 116.97 115.36 1pg8 h TYR 212 Ca 0.00 -0.10 -0.10 0.00 2.00 0.00 0.00 58.73 60.52 1pg8 h TYR 212 Cb 0.00 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.65 1pg8 h TYR 212 CO 0.00 0.70 -0.19 -0.07 -0.00 0.00 0.00 178.16 178.60 1pg8 h LEU 213 N 0.23 0.77 -0.14 3.88 3.38 -1.84 -2.32 115.31 119.28 1pg8 h LEU 213 Ca 0.01 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1pg8 h LEU 213 Cb 0.91 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1pg8 h LEU 213 CO 0.07 1.01 -0.04 -1.28 0.09 0.00 0.00 178.44 178.29 1pg8 h SER 214 N 0.53 0.28 0.00 -0.43 0.87 -1.37 -3.16 113.55 110.27 1pg8 h SER 214 Ca 0.08 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1pg8 h SER 214 Cb 0.73 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1pg8 h SER 214 CO 0.05 0.60 0.00 0.61 -0.53 0.00 0.00 176.83 177.57 1pg8 n GLY 215 N -0.09 1.45 0.00 5.77 0.00 -0.01 -4.35 105.19 107.97 1pg8 n GLY 215 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1pg8 n GLY 215 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pg8 n HIS 216 N -2.00 0.00 -1.86 1.61 8.25 -1.26 -2.17 115.22 117.80 1pg8 n HIS 216 Ca 0.00 -0.14 -0.13 0.00 -0.26 0.00 0.00 57.72 57.20 1pg8 n HIS 216 Cb 0.00 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 1pg8 n HIS 216 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pg8 n GLY 217 N -0.14 0.52 0.16 -1.41 0.00 -1.26 -4.83 105.19 98.22 1pg8 n GLY 217 Ca 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1pg8 n GLY 217 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pg8 n ASP 218 N -0.27 1.39 -4.07 1.61 5.68 -1.26 -5.00 116.55 114.63 1pg8 n ASP 218 Ca -0.14 -1.22 -0.14 0.00 -0.50 0.00 0.00 54.79 52.79 1pg8 n ASP 218 Cb 0.53 -0.01 -0.12 0.00 -1.14 0.00 0.00 41.12 40.39 1pg8 n ASP 218 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1pg8 s ILE 219 N -0.37 0.60 -0.22 2.12 -4.36 -1.26 -5.10 121.20 112.61 1pg8 s ILE 219 Ca 0.05 -1.06 -0.13 0.00 -0.26 0.00 0.00 60.65 59.25 1pg8 s ILE 219 Cb 0.03 -0.65 -0.05 0.00 1.25 0.00 0.00 42.46 43.05 1pg8 s ILE 219 CO 0.05 -0.34 0.27 -0.89 0.24 0.00 0.00 174.94 174.26 1pg8 s THR 220 N -1.31 5.29 0.15 8.37 2.01 -1.26 -4.40 115.64 124.48 1pg8 s THR 220 Ca -0.09 0.42 -0.23 0.00 0.31 0.00 0.00 61.69 62.11 1pg8 s THR 220 Cb -0.10 -3.60 0.07 0.00 0.01 0.00 0.00 72.50 68.88 1pg8 s THR 220 CO 0.01 0.31 0.58 0.00 -0.69 0.00 0.00 174.62 174.82 1pg8 s ALA 221 N 1.13 -1.53 0.13 7.40 0.00 -1.21 -4.45 121.76 123.23 1pg8 s ALA 221 Ca 0.13 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.59 1pg8 s ALA 221 Cb -0.14 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1pg8 s ALA 221 CO 0.06 -0.73 -0.09 0.20 0.00 0.00 0.00 175.76 175.19 1pg8 s GLY 222 N -2.68 0.96 0.06 0.00 0.00 -0.39 -0.27 107.32 105.01 1pg8 s GLY 222 Ca 0.01 -1.39 0.04 0.00 0.00 0.00 0.00 44.72 43.37 1pg8 s GLY 222 CO -0.12 -1.49 -0.12 -0.42 0.00 0.00 0.00 173.10 170.95 1pg8 s ILE 223 N -3.18 0.93 -0.04 0.90 -1.09 -0.96 -0.52 121.20 117.24 1pg8 s ILE 223 Ca 0.13 -1.24 0.04 0.00 -2.23 0.00 0.00 60.65 57.35 1pg8 s ILE 223 Cb 0.02 -0.93 -0.00 0.00 -1.58 0.00 0.00 42.46 39.97 1pg8 s ILE 223 CO -0.01 -0.27 -0.15 -0.69 -1.23 0.00 0.00 174.94 172.59 1pg8 s VAL 224 N -1.31 1.29 0.02 2.92 1.01 -0.18 -1.38 120.40 122.77 1pg8 s VAL 224 Ca -0.04 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1pg8 s VAL 224 Cb -0.10 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1pg8 s VAL 224 CO 0.02 0.38 -0.08 -0.69 0.00 0.00 0.00 175.10 174.73 1pg8 s VAL 225 N 0.06 0.57 -1.78 2.92 1.01 -0.66 -0.63 120.40 121.89 1pg8 s VAL 225 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1pg8 s VAL 225 Cb -0.11 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1pg8 s VAL 225 CO 0.02 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1pg8 n GLY 226 N 2.32 -0.70 3.80 4.51 0.00 -0.55 -0.87 105.19 113.70 1pg8 n GLY 226 Ca -0.17 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1pg8 n GLY 226 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pg8 s SER 227 N -4.00 6.70 0.28 1.61 1.04 -1.24 -1.25 113.70 116.84 1pg8 s SER 227 Ca 0.00 1.87 0.02 0.00 0.48 0.00 0.00 55.95 58.31 1pg8 s SER 227 Cb 0.00 -2.56 0.69 0.00 0.10 0.00 0.00 66.02 64.24 1pg8 s SER 227 CO 0.00 -0.53 1.66 1.56 0.98 0.00 0.00 173.24 176.91 1pg8 h GLN 228 N 1.99 0.24 0.36 4.02 1.08 -1.90 -0.43 115.11 120.46 1pg8 h GLN 228 Ca -0.49 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 56.69 1pg8 h GLN 228 Cb 1.20 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 1pg8 h GLN 228 CO 0.61 0.16 -0.26 0.00 -0.95 0.00 0.00 178.83 178.39 1pg8 h ALA 229 N 1.75 -0.60 -0.61 3.87 0.00 -1.99 -0.22 119.26 121.46 1pg8 h ALA 229 Ca 0.54 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 1pg8 h ALA 229 Cb 1.06 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1pg8 h ALA 229 CO -0.62 -0.86 0.01 -0.07 0.00 0.00 0.00 179.25 177.71 1pg8 h LEU 230 N -0.61 1.04 -0.15 0.00 3.38 -1.84 -2.95 115.31 114.18 1pg8 h LEU 230 Ca -0.03 -0.29 -0.23 0.00 0.09 0.00 0.00 57.88 57.41 1pg8 h LEU 230 Cb 0.52 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1pg8 h LEU 230 CO 0.01 1.08 -0.88 0.58 0.09 0.00 0.00 178.44 179.33 1pg8 h VAL 231 N 0.97 1.31 -0.98 1.22 2.07 -0.97 -1.58 116.25 118.30 1pg8 h VAL 231 Ca 0.17 -2.14 0.09 0.00 0.82 0.00 0.00 66.70 65.64 1pg8 h VAL 231 Cb 0.55 2.17 -0.07 0.00 -1.52 0.00 0.00 31.29 32.42 1pg8 h VAL 231 CO 0.03 0.66 0.63 0.44 0.02 0.00 0.00 177.57 179.35 1pg8 h ASP 232 N 0.42 0.96 -0.27 0.57 3.45 -1.04 0.98 116.42 121.49 1pg8 h ASP 232 Ca -0.08 0.02 -0.10 0.00 0.43 0.00 0.00 57.03 57.30 1pg8 h ASP 232 Cb 1.51 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 40.09 1pg8 h ASP 232 CO 0.17 0.58 -0.22 0.03 -1.57 0.00 0.00 179.24 178.23 1pg8 h ARG 233 N 1.06 0.63 -0.53 3.56 3.08 -1.32 -1.63 114.38 119.23 1pg8 h ARG 233 Ca 0.44 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 1pg8 h ARG 233 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1pg8 h ARG 233 CO -0.19 0.91 0.04 0.82 -1.07 0.00 0.00 179.97 180.47 1pg8 h ILE 234 N 0.36 1.25 0.04 2.04 2.04 -0.50 -1.00 117.51 121.73 1pg8 h ILE 234 Ca 0.05 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1pg8 h ILE 234 Cb 0.77 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1pg8 h ILE 234 CO 0.06 0.36 -0.02 -0.09 0.00 0.00 0.00 178.15 178.46 1pg8 h ARG 235 N 0.82 -0.05 0.00 2.37 2.43 -0.81 0.34 114.38 119.48 1pg8 h ARG 235 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1pg8 h ARG 235 Cb 0.44 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1pg8 h ARG 235 CO 0.02 0.23 -0.43 1.28 -1.51 0.00 0.00 179.97 179.56 1pg8 n LEU 236 N -4.98 0.54 0.03 3.80 4.32 -0.62 -1.58 117.00 118.51 1pg8 n LEU 236 Ca -0.08 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1pg8 n LEU 236 Cb 0.16 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 1pg8 n LEU 236 CO 0.33 -0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.50 1pg8 n GLN 237 N -1.84 0.00 -0.20 3.23 6.02 -0.39 -4.52 117.38 119.68 1pg8 n GLN 237 Ca 0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.98 1pg8 n GLN 237 Cb 0.39 -0.25 0.04 0.00 1.02 0.00 0.00 30.24 31.44 1pg8 n GLN 237 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1pg8 h GLY 238 N 0.00 0.84 0.00 1.08 0.00 -1.40 -2.39 103.07 101.19 1pg8 h GLY 238 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 1pg8 h GLY 238 CO 0.00 0.27 -0.77 -2.00 0.00 0.00 0.00 176.54 174.05 1pg8 h LEU 239 N 0.76 0.00 -0.32 3.11 6.46 -1.03 -0.63 115.31 123.67 1pg8 h LEU 239 Ca 0.23 -0.43 0.05 0.00 -0.12 0.00 0.00 57.88 57.60 1pg8 h LEU 239 Cb -0.05 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 39.84 1pg8 h LEU 239 CO -0.07 1.16 0.04 0.50 -0.62 0.00 0.00 178.44 179.45 1pg8 h LYS 240 N -1.00 0.14 0.00 1.25 3.11 -1.38 -1.86 116.57 116.83 1pg8 h LYS 240 Ca -0.18 -0.01 -0.30 0.00 -2.81 0.00 0.00 60.65 57.35 1pg8 h LYS 240 Cb 0.96 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 32.10 1pg8 h LYS 240 CO -0.11 0.09 -2.14 -0.25 -2.81 0.00 0.00 179.45 174.23 1pg8 n ASP 241 N -5.12 1.85 -0.04 4.20 8.00 -0.93 -4.59 116.55 119.93 1pg8 n ASP 241 Ca 0.00 -0.07 0.02 0.00 0.71 0.00 0.00 54.79 55.46 1pg8 n ASP 241 Cb 0.15 0.16 -0.13 0.00 -0.02 0.00 0.00 41.12 41.28 1pg8 n ASP 241 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1pg8 n MET 242 N -2.90 0.84 -0.01 -1.24 2.81 -1.01 -4.74 117.12 110.87 1pg8 n MET 242 Ca -0.32 -0.10 -0.01 0.00 -1.81 0.00 0.00 57.70 55.45 1pg8 n MET 242 Cb 0.94 -1.42 -0.01 0.00 -0.71 0.00 0.00 33.22 32.02 1pg8 n MET 242 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1pg8 n THR 243 N -2.31 0.11 -2.28 2.03 -2.24 -0.28 -5.00 114.28 104.31 1pg8 n THR 243 Ca -0.12 -0.05 -0.16 0.00 -2.27 0.00 0.00 64.05 61.45 1pg8 n THR 243 Cb 0.69 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 68.20 1pg8 n THR 243 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pg8 n GLY 244 N 3.24 -0.21 2.98 3.38 0.00 -0.70 -4.90 105.19 108.98 1pg8 n GLY 244 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1pg8 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg8 n ALA 245 N -1.71 5.00 -2.67 4.61 0.00 -1.26 -4.95 120.51 119.53 1pg8 n ALA 245 Ca -0.18 -3.99 -0.41 0.00 0.00 0.00 0.00 53.44 48.85 1pg8 n ALA 245 Cb 0.62 -3.40 -0.04 0.00 0.00 0.00 0.00 19.45 16.63 1pg8 n ALA 245 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pg8 s VAL 246 N 2.68 4.92 0.11 0.00 1.01 -1.26 -1.48 120.40 126.39 1pg8 s VAL 246 Ca 0.46 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.68 1pg8 s VAL 246 Cb 0.10 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1pg8 s VAL 246 CO -0.03 0.06 1.10 -0.22 0.00 0.00 0.00 175.10 176.00 1pg8 s LEU 247 N 2.00 4.44 0.12 3.92 0.20 -1.26 -4.39 118.68 123.71 1pg8 s LEU 247 Ca 0.36 1.98 -0.31 0.00 0.69 0.00 0.00 54.13 56.85 1pg8 s LEU 247 Cb -0.16 -3.59 -0.10 0.00 -0.43 0.00 0.00 46.19 41.91 1pg8 s LEU 247 CO 0.12 -0.28 1.72 -0.55 -0.29 0.00 0.00 176.35 177.08 1pg8 s SER 248 N 0.38 6.51 0.42 3.68 0.15 -1.26 -4.91 113.70 118.67 1pg8 s SER 248 Ca 0.52 2.65 0.19 0.00 0.70 0.00 0.00 55.95 60.00 1pg8 s SER 248 Cb -0.28 -2.57 1.11 0.00 -1.71 0.00 0.00 66.02 62.57 1pg8 s SER 248 CO 0.32 -0.93 1.83 -0.65 1.20 0.00 0.00 173.24 175.01 1pg8 h PRO 249 N 8.11 0.38 -0.13 5.44 0.11 -1.95 -0.23 132.00 143.73 1pg8 h PRO 249 Ca -0.44 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.69 1pg8 h PRO 249 Cb 1.21 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1pg8 h PRO 249 CO 0.94 0.25 -0.23 1.25 -0.21 0.00 0.00 178.00 179.99 1pg8 h HIS 250 N 0.39 -0.62 -0.06 0.65 -0.00 -1.92 -0.94 115.15 112.64 1pg8 h HIS 250 Ca 0.50 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.75 1pg8 h HIS 250 Cb 1.30 0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 28.99 1pg8 h HIS 250 CO -0.00 -0.31 -0.63 -0.44 -0.00 0.00 0.00 177.93 176.54 1pg8 h ASP 251 N -0.30 0.27 -0.64 3.26 3.45 -1.72 -2.03 116.42 118.72 1pg8 h ASP 251 Ca 0.10 -0.16 -0.04 0.00 0.43 0.00 0.00 57.03 57.36 1pg8 h ASP 251 Cb 0.44 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.10 1pg8 h ASP 251 CO -0.30 0.83 0.27 0.00 -1.57 0.00 0.00 179.24 178.48 1pg8 h ALA 252 N 1.17 1.23 -0.25 3.45 0.00 -0.94 0.99 119.26 124.91 1pg8 h ALA 252 Ca -0.01 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1pg8 h ALA 252 Cb 1.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1pg8 h ALA 252 CO 0.10 0.57 -0.39 0.00 0.00 0.00 0.00 179.25 179.52 1pg8 h ALA 253 N 1.34 0.86 -0.46 0.00 0.00 -0.84 -0.89 119.26 119.27 1pg8 h ALA 253 Ca 0.23 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1pg8 h ALA 253 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1pg8 h ALA 253 CO -0.02 0.64 -0.04 -0.07 0.00 0.00 0.00 179.25 179.76 1pg8 h LEU 254 N 0.47 0.77 -0.13 0.00 3.38 -0.96 -2.19 115.31 116.65 1pg8 h LEU 254 Ca 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1pg8 h LEU 254 Cb 0.89 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1pg8 h LEU 254 CO 0.08 0.86 0.06 0.25 0.09 0.00 0.00 178.44 179.78 1pg8 h LEU 255 N 0.73 0.17 -1.56 1.67 5.85 -0.34 -0.03 115.31 121.81 1pg8 h LEU 255 Ca 0.14 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1pg8 h LEU 255 Cb 0.50 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1pg8 h LEU 255 CO 0.03 0.26 0.43 0.24 -0.34 0.00 0.00 178.44 179.06 1pg8 h MET 256 N 0.07 0.49 -0.29 1.25 2.86 -1.14 -0.25 114.93 117.91 1pg8 h MET 256 Ca 0.04 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1pg8 h MET 256 Cb 0.14 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1pg8 h MET 256 CO -0.00 0.32 -0.02 -0.09 1.06 0.00 0.00 176.91 178.18 1pg8 h ARG 257 N 0.50 0.52 -0.88 1.72 2.43 -0.71 -2.87 114.38 115.10 1pg8 h ARG 257 Ca 0.29 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1pg8 h ARG 257 Cb 0.48 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1pg8 h ARG 257 CO -0.09 0.69 0.49 0.78 -1.51 0.00 0.00 179.97 180.33 1pg8 h GLY 258 N 0.31 1.30 2.00 2.80 0.00 -0.23 -2.86 103.07 106.38 1pg8 h GLY 258 Ca 0.08 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1pg8 h GLY 258 CO 0.02 0.55 -0.11 -2.22 0.00 0.00 0.00 176.54 174.79 1pg8 h ILE 259 N 1.22 0.69 0.00 2.60 2.04 -0.86 -2.26 117.51 120.94 1pg8 h ILE 259 Ca 0.31 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1pg8 h ILE 259 Cb 0.01 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1pg8 h ILE 259 CO -0.05 0.11 -0.06 0.11 0.00 0.00 0.00 178.15 178.25 1pg8 h LYS 260 N 0.00 0.00 -0.41 2.37 1.57 -1.33 -1.75 116.57 117.02 1pg8 h LYS 260 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pg8 h LYS 260 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1pg8 h LYS 260 CO 0.01 0.06 0.00 0.25 -0.57 0.00 0.00 179.45 179.21 1pg8 n THR 261 N -3.63 1.90 -0.03 -0.16 -2.24 -0.85 -4.83 114.28 104.44 1pg8 n THR 261 Ca -0.02 -1.45 -0.11 0.00 -2.27 0.00 0.00 64.05 60.21 1pg8 n THR 261 Cb 0.17 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 1pg8 n THR 261 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1pg8 h LEU 262 N 2.65 0.19 -0.65 3.22 5.85 -1.35 -1.09 115.31 124.13 1pg8 h LEU 262 Ca 0.00 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.73 1pg8 h LEU 262 Cb 1.33 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 1pg8 h LEU 262 CO 0.20 0.21 0.30 -0.55 -0.34 0.00 0.00 178.44 178.26 1pg8 h ASN 263 N 0.16 0.37 -0.30 1.25 -1.07 -1.89 -0.54 115.58 113.57 1pg8 h ASN 263 Ca 0.05 0.06 -0.06 0.00 0.07 0.00 0.00 56.30 56.43 1pg8 h ASN 263 Cb 0.06 0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 36.30 1pg8 h ASN 263 CO -0.01 0.22 -0.05 -0.07 0.07 0.00 0.00 177.43 177.59 1pg8 h LEU 264 N 0.52 0.56 -0.36 6.14 4.07 -1.75 0.40 115.31 124.90 1pg8 h LEU 264 Ca 0.32 -0.35 -0.17 0.00 0.08 0.00 0.00 57.88 57.76 1pg8 h LEU 264 Cb 0.34 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 1pg8 h LEU 264 CO -0.27 0.78 -0.48 0.03 -1.08 0.00 0.00 178.44 177.41 1pg8 h ARG 265 N 0.33 0.87 -0.46 1.13 3.08 -1.11 -2.34 114.38 115.87 1pg8 h ARG 265 Ca 0.08 -0.51 -0.13 0.00 0.07 0.00 0.00 59.98 59.48 1pg8 h ARG 265 Cb 0.52 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1pg8 h ARG 265 CO 0.03 1.15 -0.23 0.52 -1.07 0.00 0.00 179.97 180.37 1pg8 h MET 266 N 0.69 0.96 -0.33 0.04 2.86 -0.94 0.39 114.93 118.60 1pg8 h MET 266 Ca 0.03 -0.42 0.06 0.00 -2.06 0.00 0.00 59.70 57.31 1pg8 h MET 266 Cb 1.08 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.66 1pg8 h MET 266 CO 0.11 1.08 0.01 -0.44 1.06 0.00 0.00 176.91 178.73 1pg8 h ASP 267 N 0.83 -0.12 -0.23 1.22 3.45 -0.83 -1.52 116.42 119.21 1pg8 h ASP 267 Ca 0.10 0.07 -0.07 0.00 0.43 0.00 0.00 57.03 57.57 1pg8 h ASP 267 Cb 0.80 0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.69 1pg8 h ASP 267 CO 0.07 -0.02 -0.13 -0.09 -1.57 0.00 0.00 179.24 177.49 1pg8 h ARG 268 N 0.10 0.50 -0.68 3.56 9.65 -1.00 -0.92 114.38 125.59 1pg8 h ARG 268 Ca 0.16 -0.23 0.14 0.00 -1.10 0.00 0.00 59.98 58.95 1pg8 h ARG 268 Cb 0.21 -0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 28.68 1pg8 h ARG 268 CO -0.26 0.78 0.14 0.45 2.80 0.00 0.00 179.97 183.88 1pg8 h HIS 269 N 0.21 0.22 -0.08 2.20 3.86 -0.10 -0.34 115.15 121.12 1pg8 h HIS 269 Ca 0.05 0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.16 1pg8 h HIS 269 Cb 0.64 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 1pg8 h HIS 269 CO 0.07 -0.07 -0.56 0.00 0.86 0.00 0.00 177.93 178.22 1pg8 h ALA 271 N 1.23 0.16 -0.14 0.00 0.00 -0.49 -2.26 119.26 117.75 1pg8 h ALA 271 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1pg8 h ALA 271 Cb 1.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1pg8 h ALA 271 CO 0.09 0.44 0.06 -0.91 0.00 0.00 0.00 179.25 178.93 1pg8 h ASN 272 N 0.12 0.20 -0.87 0.00 2.35 -0.94 -2.81 115.58 113.63 1pg8 h ASN 272 Ca -0.06 -0.15 0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1pg8 h ASN 272 Cb 1.30 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 39.57 1pg8 h ASN 272 CO 0.13 0.29 0.57 0.00 -1.65 0.00 0.00 177.43 176.76 1pg8 h ALA 273 N 0.91 1.50 0.50 -0.83 0.00 -0.95 -1.90 119.26 118.50 1pg8 h ALA 273 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1pg8 h ALA 273 Cb 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1pg8 h ALA 273 CO -0.00 0.40 -0.24 1.96 0.00 0.00 0.00 179.25 181.36 1pg8 h GLN 274 N 1.04 -0.65 -0.33 0.00 1.08 -1.30 -1.76 115.11 113.19 1pg8 h GLN 274 Ca 0.36 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.66 1pg8 h GLN 274 Cb 0.10 0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 27.62 1pg8 h GLN 274 CO -0.12 -0.40 -0.05 0.28 -0.95 0.00 0.00 178.83 177.60 1pg8 h VAL 275 N -0.75 0.71 -0.09 -0.54 2.07 -1.31 -1.52 116.25 114.82 1pg8 h VAL 275 Ca -0.07 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1pg8 h VAL 275 Cb 0.55 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1pg8 h VAL 275 CO 0.11 0.01 -0.16 -0.07 0.02 0.00 0.00 177.57 177.48 1pg8 h LEU 276 N 0.04 0.14 0.04 2.57 3.38 -1.28 -1.47 115.31 118.72 1pg8 h LEU 276 Ca 0.16 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.87 1pg8 h LEU 276 Cb 0.23 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1pg8 h LEU 276 CO -0.31 0.32 -1.08 0.00 0.09 0.00 0.00 178.44 177.46 1pg8 h ALA 277 N 1.70 0.27 -0.23 1.53 0.00 -0.71 -0.75 119.26 121.06 1pg8 h ALA 277 Ca 0.03 -0.90 -0.05 0.00 0.00 0.00 0.00 54.91 53.99 1pg8 h ALA 277 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pg8 h ALA 277 CO 0.02 1.15 -0.04 0.93 0.00 0.00 0.00 179.25 181.31 1pg8 h GLU 278 N 0.03 0.43 0.37 0.00 5.08 -0.92 -2.08 114.58 117.49 1pg8 h GLU 278 Ca -0.05 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1pg8 h GLU 278 Cb 1.83 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.03 1pg8 h GLU 278 CO 0.16 0.65 -0.44 0.35 -1.00 0.00 0.00 179.01 178.73 1pg8 h PHE 279 N 0.18 -1.21 -0.43 4.33 3.57 -1.28 -2.72 116.94 119.38 1pg8 h PHE 279 Ca 0.06 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.66 1pg8 h PHE 279 Cb 0.48 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1pg8 h PHE 279 CO 0.05 -0.58 0.30 -0.07 -2.23 0.00 0.00 178.31 175.77 1pg8 h LEU 280 N -0.84 0.16 -1.23 0.59 3.38 -1.09 -1.38 115.31 114.91 1pg8 h LEU 280 Ca -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1pg8 h LEU 280 Cb 0.77 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1pg8 h LEU 280 CO -0.10 0.10 -0.24 0.00 0.09 0.00 0.00 178.44 178.29 1pg8 h ALA 281 N 1.78 1.36 -0.36 1.53 0.00 -1.05 -2.83 119.26 119.68 1pg8 h ALA 281 Ca 0.20 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1pg8 h ALA 281 Cb 0.55 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1pg8 h ALA 281 CO -0.03 0.44 0.17 0.54 0.00 0.00 0.00 179.25 180.37 1pg8 n ARG 282 N -4.18 2.02 -4.63 0.00 1.74 -0.52 -4.93 116.66 106.16 1pg8 n ARG 282 Ca -0.01 -1.34 -0.33 0.00 -0.77 0.00 0.00 57.85 55.40 1pg8 n ARG 282 Cb 0.35 -1.65 -0.16 0.00 -1.02 0.00 0.00 32.46 29.98 1pg8 n ARG 282 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1pg8 s GLN 283 N -1.57 3.05 0.40 5.56 -1.52 -1.07 -5.01 119.66 119.49 1pg8 s GLN 283 Ca 0.24 -0.84 0.10 0.00 -1.95 0.00 0.00 55.36 52.91 1pg8 s GLN 283 Cb 0.20 -2.47 0.88 0.00 -0.22 0.00 0.00 33.01 31.39 1pg8 s GLN 283 CO 0.06 -0.02 1.97 -1.00 -0.25 0.00 0.00 175.29 176.05 1pg8 h PRO 284 N 7.35 0.57 0.00 2.91 0.13 -1.92 -1.27 132.00 139.78 1pg8 h PRO 284 Ca -0.33 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.69 1pg8 h PRO 284 Cb 1.19 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1pg8 h PRO 284 CO 0.56 0.38 -0.34 1.96 -0.23 0.00 0.00 178.00 180.33 1pg8 h GLN 285 N 0.59 0.00 -5.54 0.86 7.50 -1.95 -3.43 115.11 113.14 1pg8 h GLN 285 Ca 0.30 0.00 -0.63 0.00 0.50 0.00 0.00 58.65 58.81 1pg8 h GLN 285 Cb 0.39 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.78 1pg8 h GLN 285 CO -0.09 0.34 0.19 0.08 -1.50 0.00 0.00 178.83 177.85 1pg8 s VAL 286 N -4.12 4.83 0.00 -0.54 1.01 -0.48 -0.90 120.40 120.20 1pg8 s VAL 286 Ca -0.02 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1pg8 s VAL 286 Cb 0.14 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1pg8 s VAL 286 CO 0.70 -0.44 0.00 1.21 0.00 0.00 0.00 175.10 176.57 1pg8 n GLU 287 N 6.22 0.00 -2.99 2.72 4.07 -0.32 -4.79 120.64 125.55 1pg8 n GLU 287 Ca -0.00 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.92 1pg8 n GLU 287 Cb 0.48 -0.26 0.01 0.00 -0.06 0.00 0.00 31.44 31.61 1pg8 n GLU 287 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1pg8 s LEU 288 N 0.00 3.62 -0.23 4.31 2.96 -1.22 -4.96 118.68 123.17 1pg8 s LEU 288 Ca 0.00 -0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 1pg8 s LEU 288 Cb 0.00 -2.72 0.08 0.00 0.50 0.00 0.00 46.19 44.04 1pg8 s LEU 288 CO 0.00 -0.79 0.56 -0.51 -1.32 0.00 0.00 176.35 174.28 1pg8 s ILE 289 N -2.41 -0.12 -0.93 6.68 2.07 -1.26 -2.58 121.20 122.65 1pg8 s ILE 289 Ca 0.54 0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.81 1pg8 s ILE 289 Cb -0.10 -0.82 0.24 0.00 0.13 0.00 0.00 42.46 41.91 1pg8 s ILE 289 CO 0.34 0.02 0.88 1.41 -1.91 0.00 0.00 174.94 175.68 1pg8 n HIS 290 N 4.44 4.24 -4.13 3.50 8.25 0.50 -4.90 115.22 127.11 1pg8 n HIS 290 Ca -0.20 -4.01 -0.28 0.00 -0.26 0.00 0.00 57.72 52.97 1pg8 n HIS 290 Cb 0.56 -1.20 -0.17 0.00 1.12 0.00 0.00 29.99 30.30 1pg8 n HIS 290 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1pg8 s TYR 291 N -1.52 1.86 0.09 4.41 6.14 -1.26 -3.30 117.35 123.77 1pg8 s TYR 291 Ca 0.29 -0.95 0.18 0.00 0.64 0.00 0.00 57.07 57.23 1pg8 s TYR 291 Cb -0.06 -1.40 0.97 0.00 0.42 0.00 0.00 41.96 41.89 1pg8 s TYR 291 CO -0.10 -0.55 1.48 -1.35 0.64 0.00 0.00 175.55 175.67 1pg8 h PRO 292 N 7.86 0.00 -0.01 4.97 0.11 -1.89 -2.78 132.00 140.25 1pg8 h PRO 292 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1pg8 h PRO 292 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1pg8 h PRO 292 CO 0.48 0.00 -0.44 0.41 -0.21 0.00 0.00 178.00 178.24 1pg8 n GLY 293 N -1.27 -0.16 3.74 -0.55 0.00 -1.26 -4.81 105.19 100.88 1pg8 n GLY 293 Ca -0.01 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1pg8 n GLY 293 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pg8 s LEU 294 N -2.50 4.47 0.51 0.99 1.43 -1.05 -4.96 118.68 117.57 1pg8 s LEU 294 Ca 0.20 2.23 0.16 0.00 -1.03 0.00 0.00 54.13 55.69 1pg8 s LEU 294 Cb 0.18 -3.61 1.24 0.00 0.03 0.00 0.00 46.19 44.03 1pg8 s LEU 294 CO 0.57 -0.31 2.12 0.00 0.23 0.00 0.00 176.35 178.95 1pg8 h ALA 295 N 4.91 2.04 0.00 4.21 0.00 -1.90 -2.22 119.26 126.30 1pg8 h ALA 295 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1pg8 h ALA 295 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1pg8 h ALA 295 CO 0.73 -0.06 0.00 0.66 0.00 0.00 0.00 179.25 180.57 1pg8 h SER 296 N 0.07 0.00 -2.16 0.00 4.64 -1.93 -3.46 113.55 110.71 1pg8 h SER 296 Ca 0.06 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.78 1pg8 h SER 296 Cb 0.14 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.27 1pg8 h SER 296 CO -0.01 0.00 0.93 0.33 -0.87 0.00 0.00 176.83 177.22 1pg8 n PHE 297 N -3.01 2.30 -0.21 4.77 -0.00 -0.84 -4.88 117.46 115.59 1pg8 n PHE 297 Ca 0.00 0.14 -0.03 0.00 -0.00 0.00 0.00 57.45 57.56 1pg8 n PHE 297 Cb 0.26 -2.60 0.03 0.00 -0.00 0.00 0.00 39.48 37.17 1pg8 n PHE 297 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1pg8 h PRO 298 N 7.41 -0.11 -1.17 -7.13 0.11 -1.91 -1.95 132.00 127.26 1pg8 h PRO 298 Ca -0.47 0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.17 1pg8 h PRO 298 Cb 1.26 0.02 -0.22 0.00 0.11 0.00 0.00 31.00 32.17 1pg8 h PRO 298 CO 0.91 -0.07 0.62 1.04 -0.21 0.00 0.00 178.00 180.29 1pg8 n GLN 299 N -5.44 2.18 -0.05 1.05 6.02 -1.26 -4.69 117.38 115.19 1pg8 n GLN 299 Ca 0.06 -2.43 0.20 0.00 -0.01 0.00 0.00 57.00 54.82 1pg8 n GLN 299 Cb 0.35 -1.95 0.66 0.00 1.02 0.00 0.00 30.24 30.32 1pg8 n GLN 299 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1pg8 h TYR 300 N 1.47 0.09 0.22 1.08 3.20 -1.66 -2.05 116.97 119.33 1pg8 h TYR 300 Ca 0.47 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 62.00 1pg8 h TYR 300 Cb 1.31 -0.03 0.03 0.00 1.54 0.00 0.00 36.73 39.57 1pg8 h TYR 300 CO 1.17 0.04 -1.54 1.15 -1.64 0.00 0.00 178.16 177.33 1pg8 h THR 301 N 0.08 1.20 -0.54 1.81 2.02 -1.87 -2.91 112.91 112.70 1pg8 h THR 301 Ca 0.29 -2.68 -0.09 0.00 0.77 0.00 0.00 66.41 64.70 1pg8 h THR 301 Cb 1.05 2.95 -0.02 0.00 -1.74 0.00 0.00 68.15 70.38 1pg8 h THR 301 CO -0.03 0.83 -0.03 0.25 0.37 0.00 0.00 175.52 176.92 1pg8 h LEU 302 N 0.13 0.92 -0.37 2.58 6.46 -1.80 -2.84 115.31 120.38 1pg8 h LEU 302 Ca -0.27 -0.26 -0.18 0.00 -0.12 0.00 0.00 57.88 57.05 1pg8 h LEU 302 Cb 2.13 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 41.82 1pg8 h LEU 302 CO 0.24 0.99 -0.55 0.00 -0.62 0.00 0.00 178.44 178.50 1pg8 h ALA 303 N 1.10 0.55 0.00 1.25 0.00 -1.44 -2.03 119.26 118.69 1pg8 h ALA 303 Ca 0.15 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1pg8 h ALA 303 Cb 0.54 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pg8 h ALA 303 CO 0.03 0.68 -0.01 0.00 0.00 0.00 0.00 179.25 179.95 1pg8 h ARG 304 N 0.59 0.00 -0.03 0.00 3.08 -1.55 0.20 114.38 116.66 1pg8 h ARG 304 Ca 0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1pg8 h ARG 304 Cb 1.14 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.20 1pg8 h ARG 304 CO 0.12 0.01 -0.52 0.37 -1.07 0.00 0.00 179.97 178.88 1pg8 h GLN 305 N 0.00 0.41 0.00 0.04 4.15 -1.15 -3.38 115.11 115.17 1pg8 h GLN 305 Ca -0.00 -0.40 -0.27 0.00 0.77 0.00 0.00 58.65 58.75 1pg8 h GLN 305 Cb 0.63 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.38 1pg8 h GLN 305 CO 0.00 1.05 -1.66 1.96 -1.93 0.00 0.00 178.83 178.26 1pg8 h GLN 306 N -0.09 0.00 -5.30 1.69 4.20 -1.26 -3.47 115.11 110.88 1pg8 h GLN 306 Ca -0.06 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.00 1pg8 h GLN 306 Cb 1.21 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.72 1pg8 h GLN 306 CO 0.10 0.48 -0.76 -1.64 -0.67 0.00 0.00 178.83 176.34 1pg8 s MET 307 N -2.64 3.40 0.34 1.46 -1.94 0.69 -4.43 119.30 116.18 1pg8 s MET 307 Ca -0.04 -0.67 0.18 0.00 -1.71 0.00 0.00 55.69 53.45 1pg8 s MET 307 Cb 0.08 -2.67 0.30 0.00 2.01 0.00 0.00 34.83 34.55 1pg8 s MET 307 CO 0.82 0.19 1.56 0.66 -0.01 0.00 0.00 175.02 178.24 1pg8 h SER 308 N 6.78 0.00 -5.10 3.03 4.64 -1.59 -3.40 113.55 117.92 1pg8 h SER 308 Ca -0.27 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.91 1pg8 h SER 308 Cb 1.21 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.12 1pg8 h SER 308 CO 0.56 0.36 -0.64 -1.10 -0.87 0.00 0.00 176.83 175.15 1pg8 s GLN 309 N -3.16 0.50 0.00 4.77 -0.21 -1.26 -5.08 119.66 115.22 1pg8 s GLN 309 Ca 0.04 -0.87 0.05 0.00 0.02 0.00 0.00 55.36 54.59 1pg8 s GLN 309 Cb 0.08 0.18 0.27 0.00 1.00 0.00 0.00 33.01 34.54 1pg8 s GLN 309 CO 0.71 -0.10 0.90 -0.35 -2.12 0.00 0.00 175.29 174.33 1pg8 n PRO 310 N 0.83 0.69 0.00 2.91 -0.04 -1.26 -4.98 135.00 133.14 1pg8 n PRO 310 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1pg8 n PRO 310 Cb 0.58 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1pg8 n PRO 310 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pg8 n GLY 311 N 0.23 -0.83 0.06 0.55 0.00 -1.26 -4.41 105.19 99.53 1pg8 n GLY 311 Ca 0.03 -1.69 0.04 0.00 0.00 0.00 0.00 46.02 44.40 1pg8 n GLY 311 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg8 n GLY 312 N -0.77 0.12 3.79 -0.02 0.00 -1.26 -4.17 105.19 102.88 1pg8 n GLY 312 Ca 0.00 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1pg8 n GLY 312 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pg8 s MET 313 N -1.51 4.03 -0.04 1.61 -1.94 -1.26 -1.51 119.30 118.69 1pg8 s MET 313 Ca 0.04 0.23 0.07 0.00 -1.71 0.00 0.00 55.69 54.32 1pg8 s MET 313 Cb 0.06 -3.32 -0.02 0.00 2.01 0.00 0.00 34.83 33.56 1pg8 s MET 313 CO 0.27 0.47 -0.24 0.42 -0.01 0.00 0.00 175.02 175.92 1pg8 s ILE 314 N -0.28 2.18 -0.07 2.53 1.01 -0.21 -4.84 121.20 121.52 1pg8 s ILE 314 Ca 0.20 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1pg8 s ILE 314 Cb -0.15 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 1pg8 s ILE 314 CO 0.08 0.58 -0.20 0.00 0.00 0.00 0.00 174.94 175.40 1pg8 s ALA 315 N -0.45 2.37 0.01 9.38 0.00 -1.21 0.31 121.76 132.18 1pg8 s ALA 315 Ca 0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1pg8 s ALA 315 Cb -0.11 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1pg8 s ALA 315 CO 0.01 0.42 0.02 -0.59 0.00 0.00 0.00 175.76 175.62 1pg8 s PHE 316 N -0.21 0.18 -0.06 0.00 -0.12 -0.72 -0.37 117.98 116.67 1pg8 s PHE 316 Ca -0.01 -0.38 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 1pg8 s PHE 316 Cb -0.13 -0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.09 1pg8 s PHE 316 CO 0.03 -0.20 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.75 1pg8 s GLU 317 N -1.33 2.81 0.02 1.99 2.02 -1.07 -0.10 118.70 123.05 1pg8 s GLU 317 Ca -0.14 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.35 1pg8 s GLU 317 Cb -0.09 -2.66 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 1pg8 s GLU 317 CO -0.00 0.67 0.01 -1.17 0.02 0.00 0.00 175.26 174.79 1pg8 s LEU 318 N -0.94 3.56 0.13 1.80 2.96 -0.90 -1.18 118.68 124.12 1pg8 s LEU 318 Ca 0.14 -0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.91 1pg8 s LEU 318 Cb -0.11 -2.09 -0.06 0.00 0.50 0.00 0.00 46.19 44.43 1pg8 s LEU 318 CO 0.03 0.26 1.46 0.11 -1.32 0.00 0.00 176.35 176.88 1pg8 h LYS 319 N 4.13 0.90 0.00 1.98 1.57 -1.36 -2.85 116.57 120.93 1pg8 h LYS 319 Ca -0.49 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 57.80 1pg8 h LYS 319 Cb 1.17 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1pg8 h LYS 319 CO 0.59 1.14 0.00 0.41 -0.57 0.00 0.00 179.45 181.02 1pg8 n GLY 320 N 0.18 -0.35 7.00 3.86 0.00 -1.26 -4.97 105.19 109.65 1pg8 n GLY 320 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1pg8 n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg8 n GLY 321 N -0.18 1.63 0.29 -0.02 0.00 -1.08 -3.24 105.19 102.60 1pg8 n GLY 321 Ca 0.02 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.33 1pg8 n GLY 321 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pg8 h ILE 322 N 0.00 1.25 -0.54 -0.61 2.10 -1.88 -2.77 117.51 115.06 1pg8 h ILE 322 Ca 0.00 -1.04 -0.02 0.00 1.08 0.00 0.00 64.86 64.87 1pg8 h ILE 322 Cb 0.00 0.86 -0.02 0.00 -1.09 0.00 0.00 36.82 36.57 1pg8 h ILE 322 CO 0.00 0.37 0.24 1.23 -1.08 0.00 0.00 178.15 178.91 1pg8 h GLY 323 N 0.99 0.85 2.00 8.18 0.00 -1.89 -1.42 103.07 111.79 1pg8 h GLY 323 Ca 0.15 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1pg8 h GLY 323 CO 0.02 0.42 -0.27 0.00 0.00 0.00 0.00 176.54 176.71 1pg8 h ALA 324 N 1.08 1.11 0.82 3.60 0.00 -1.56 -2.52 119.26 121.80 1pg8 h ALA 324 Ca 0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1pg8 h ALA 324 Cb 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1pg8 h ALA 324 CO -0.02 0.34 -0.39 0.78 0.00 0.00 0.00 179.25 179.95 1pg8 h GLY 325 N 1.66 -1.15 0.36 0.00 0.00 -1.05 -2.42 103.07 100.47 1pg8 h GLY 325 Ca -0.00 0.43 0.17 0.00 0.00 0.00 0.00 47.33 47.92 1pg8 h GLY 325 CO 0.04 -0.42 0.60 3.21 0.00 0.00 0.00 176.54 179.96 1pg8 h ARG 326 N -1.23 0.63 -0.03 4.80 3.08 -1.18 -0.73 114.38 119.71 1pg8 h ARG 326 Ca -0.11 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.71 1pg8 h ARG 326 Cb 0.85 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.78 1pg8 h ARG 326 CO 0.18 0.42 -0.72 0.00 -1.07 0.00 0.00 179.97 178.78 1pg8 h ARG 327 N 0.65 0.55 0.13 0.04 3.08 -1.50 -2.55 114.38 114.77 1pg8 h ARG 327 Ca 0.49 -0.55 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1pg8 h ARG 327 Cb 0.88 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1pg8 h ARG 327 CO -0.24 1.17 -0.06 0.35 -1.07 0.00 0.00 179.97 180.11 1pg8 h PHE 328 N 0.13 -0.17 -0.24 3.04 3.57 -0.90 -2.11 116.94 120.26 1pg8 h PHE 328 Ca -0.08 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1pg8 h PHE 328 Cb 1.40 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 1pg8 h PHE 328 CO 0.12 -0.08 0.15 0.52 -2.23 0.00 0.00 178.31 176.79 1pg8 h MET 329 N -0.20 0.33 0.00 1.11 2.86 -1.23 -2.50 114.93 115.29 1pg8 h MET 329 Ca -0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1pg8 h MET 329 Cb 0.16 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1pg8 h MET 329 CO 0.03 0.24 0.00 0.09 1.06 0.00 0.00 176.91 178.33 1pg8 n ASN 330 N -4.90 0.51 0.05 1.22 5.03 -0.96 -2.68 115.26 113.53 1pg8 n ASN 330 Ca -0.02 0.61 0.12 0.00 0.87 0.00 0.00 54.58 56.15 1pg8 n ASN 330 Cb 0.04 -0.72 0.21 0.00 -1.02 0.00 0.00 39.78 38.29 1pg8 n ASN 330 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pg8 n ALA 331 N -1.70 2.99 -2.01 5.41 0.00 -0.80 -4.92 120.51 119.48 1pg8 n ALA 331 Ca 0.03 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1pg8 n ALA 331 Cb 0.26 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 1pg8 n ALA 331 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pg8 s LEU 332 N -3.96 4.40 -0.05 0.00 1.43 -1.09 -4.76 118.68 114.64 1pg8 s LEU 332 Ca 0.08 2.45 0.07 0.00 -1.03 0.00 0.00 54.13 55.70 1pg8 s LEU 332 Cb 0.14 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.66 1pg8 s LEU 332 CO 0.71 -0.61 0.07 0.00 0.23 0.00 0.00 176.35 176.74 1pg8 n GLN 333 N 2.95 2.04 -0.08 1.70 6.02 -1.26 -4.84 117.38 123.91 1pg8 n GLN 333 Ca 0.08 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.96 1pg8 n GLN 333 Cb 0.42 -1.18 -0.03 0.00 1.02 0.00 0.00 30.24 30.47 1pg8 n GLN 333 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1pg8 n LEU 334 N -2.11 1.87 -4.59 1.08 0.00 -1.26 -4.95 117.00 107.04 1pg8 n LEU 334 Ca -0.08 0.31 -0.41 0.00 0.00 0.00 0.00 56.01 55.83 1pg8 n LEU 334 Cb 0.57 -0.71 0.01 0.00 0.00 0.00 0.00 43.42 43.30 1pg8 n LEU 334 CO 0.15 -0.29 0.51 0.49 0.00 0.00 0.00 177.39 178.25 1pg8 n PHE 335 N -4.37 0.91 -4.00 1.96 3.01 -1.26 -4.78 117.46 108.92 1pg8 n PHE 335 Ca -0.14 0.55 -0.31 0.00 1.01 0.00 0.00 57.45 58.57 1pg8 n PHE 335 Cb 0.48 -2.19 -0.06 0.00 -0.01 0.00 0.00 39.48 37.71 1pg8 n PHE 335 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1pg8 s SER 336 N -0.81 5.87 -0.60 4.37 0.01 -0.40 -4.85 113.70 117.29 1pg8 s SER 336 Ca 0.64 0.12 -0.21 0.00 1.31 0.00 0.00 55.95 57.82 1pg8 s SER 336 Cb -0.55 -1.69 0.08 0.00 0.21 0.00 0.00 66.02 64.07 1pg8 s SER 336 CO 0.56 0.19 0.81 -0.13 0.41 0.00 0.00 173.24 175.08 1pg8 s ARG 337 N -2.32 3.10 0.12 12.44 0.52 -1.26 -1.29 118.95 130.26 1pg8 s ARG 337 Ca 0.30 -1.00 -0.24 0.00 -0.52 0.00 0.00 55.73 54.27 1pg8 s ARG 337 Cb -0.12 -4.21 0.07 0.00 0.52 0.00 0.00 34.95 31.21 1pg8 s ARG 337 CO 0.23 -1.59 0.63 0.00 0.02 0.00 0.00 175.30 174.58 1pg8 s ALA 338 N 3.28 -1.64 0.88 2.13 0.00 -1.11 -4.98 121.76 120.32 1pg8 s ALA 338 Ca 0.17 0.64 -0.13 0.00 0.00 0.00 0.00 51.96 52.64 1pg8 s ALA 338 Cb -0.20 0.74 0.12 0.00 0.00 0.00 0.00 23.12 23.78 1pg8 s ALA 338 CO 0.09 -0.71 1.18 0.14 0.00 0.00 0.00 175.76 176.47 1pg8 s VAL 339 N -3.36 1.98 0.00 0.00 -7.23 -1.26 -4.19 120.40 106.34 1pg8 s VAL 339 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1pg8 s VAL 339 Cb -0.01 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 34.04 1pg8 s VAL 339 CO -0.10 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.45 1pg8 n SER 340 N -3.59 0.00 -3.67 4.85 2.88 -1.26 -5.01 113.62 107.83 1pg8 n SER 340 Ca 0.09 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.56 1pg8 n SER 340 Cb 0.60 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.05 1pg8 n SER 340 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1pg8 s LEU 341 N -1.54 -0.20 -0.79 2.46 2.34 -1.26 -4.87 118.68 114.82 1pg8 s LEU 341 Ca 0.00 -0.71 -0.02 0.00 0.06 0.00 0.00 54.13 53.46 1pg8 s LEU 341 Cb 0.00 2.73 0.00 0.00 -0.56 0.00 0.00 46.19 48.36 1pg8 s LEU 341 CO 0.00 -1.40 0.28 0.61 -1.06 0.00 0.00 176.35 174.78 1pg8 n GLY 342 N -0.48 0.07 3.81 -3.48 0.00 -1.26 -4.36 105.19 99.48 1pg8 n GLY 342 Ca -0.05 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 1pg8 n GLY 342 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg8 s ASP 343 N -2.82 5.44 0.34 1.61 1.01 -1.26 -3.52 116.67 117.46 1pg8 s ASP 343 Ca 0.14 -0.27 0.03 0.00 0.71 0.00 0.00 52.55 53.16 1pg8 s ASP 343 Cb -0.06 -1.36 0.62 0.00 1.01 0.00 0.00 42.92 43.13 1pg8 s ASP 343 CO 0.17 -0.02 1.93 0.00 0.21 0.00 0.00 175.17 177.45 1pg8 h ALA 344 N 1.61 1.44 -2.66 5.23 0.00 -1.76 -3.42 119.26 119.71 1pg8 h ALA 344 Ca -0.48 -0.14 -0.58 0.00 0.00 0.00 0.00 54.91 53.72 1pg8 h ALA 344 Cb 1.24 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1pg8 h ALA 344 CO 0.61 0.42 -0.08 -1.83 0.00 0.00 0.00 179.25 178.37 1pg8 s GLU 345 N -5.26 4.07 0.15 0.00 1.03 -1.26 -1.27 118.70 116.16 1pg8 s GLU 345 Ca -0.09 0.59 -0.30 0.00 0.03 0.00 0.00 54.97 55.21 1pg8 s GLU 345 Cb 0.16 -3.14 -0.07 0.00 -0.80 0.00 0.00 34.13 30.28 1pg8 s GLU 345 CO 0.76 0.60 1.19 -1.12 -1.33 0.00 0.00 175.26 175.36 1pg8 s SER 346 N -1.30 7.11 0.19 0.83 0.01 -1.26 -4.66 113.70 114.62 1pg8 s SER 346 Ca 0.31 2.15 0.10 0.00 1.31 0.00 0.00 55.95 59.82 1pg8 s SER 346 Cb -0.18 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 1pg8 s SER 346 CO 0.18 -0.38 -0.18 -0.76 0.41 0.00 0.00 173.24 172.51 1pg8 s LEU 347 N 0.16 2.67 -0.07 2.44 1.43 -0.54 -1.27 118.68 123.50 1pg8 s LEU 347 Ca 0.54 -0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1pg8 s LEU 347 Cb -0.31 -1.37 0.04 0.00 0.03 0.00 0.00 46.19 44.57 1pg8 s LEU 347 CO 0.34 0.11 0.16 0.00 0.23 0.00 0.00 176.35 177.19 1pg8 s ALA 348 N -1.74 -0.32 0.23 4.21 0.00 -0.41 -0.94 121.76 122.78 1pg8 s ALA 348 Ca 0.23 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1pg8 s ALA 348 Cb -0.08 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1pg8 s ALA 348 CO 0.12 -0.15 0.13 1.14 0.00 0.00 0.00 175.76 177.00 1pg8 s GLN 349 N 1.02 1.32 -0.48 0.00 -2.07 -0.32 -2.75 119.66 116.37 1pg8 s GLN 349 Ca -0.08 -1.71 0.06 0.00 -1.82 0.00 0.00 55.36 51.82 1pg8 s GLN 349 Cb -0.10 0.09 0.19 0.00 -1.09 0.00 0.00 33.01 32.10 1pg8 s GLN 349 CO -0.05 -0.38 0.73 -1.58 -1.32 0.00 0.00 175.29 172.69 1pg8 s HIS 350 N -3.97 -1.56 0.56 9.60 5.65 -1.26 0.35 115.29 124.67 1pg8 s HIS 350 Ca 0.38 -0.34 0.33 0.00 0.25 0.00 0.00 55.06 55.69 1pg8 s HIS 350 Cb 0.07 0.30 1.48 0.00 -1.18 0.00 0.00 32.58 33.25 1pg8 s HIS 350 CO 0.14 -1.18 1.82 -1.35 -0.65 0.00 0.00 174.74 173.51 1pg8 h PRO 351 N 5.44 0.00 -0.90 2.88 0.11 -1.94 -2.36 132.00 135.22 1pg8 h PRO 351 Ca 0.05 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.24 1pg8 h PRO 351 Cb 1.13 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 1pg8 h PRO 351 CO 0.02 0.00 0.56 0.00 -0.21 0.00 0.00 178.00 178.37 1pg8 h ALA 352 N 1.40 1.27 -0.32 -0.75 0.00 -1.83 -0.64 119.26 118.40 1pg8 h ALA 352 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1pg8 h ALA 352 Cb 1.90 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1pg8 h ALA 352 CO -0.00 0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.38 1pg8 n SER 353 N -4.63 3.76 0.00 0.00 3.41 -0.90 -4.02 113.62 111.25 1pg8 n SER 353 Ca 0.14 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 1pg8 n SER 353 Cb 0.23 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1pg8 n SER 353 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1pg8 n MET 354 N -0.11 0.00 -0.06 4.33 2.00 -1.17 -4.82 117.12 117.31 1pg8 n MET 354 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.76 1pg8 n MET 354 Cb 0.78 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.93 1pg8 n MET 354 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1pg8 h THR 355 N 0.00 1.35 -1.92 2.03 1.35 -1.77 -3.04 112.91 110.91 1pg8 h THR 355 Ca 0.00 -1.41 -0.66 0.00 -0.55 0.00 0.00 66.41 63.79 1pg8 h THR 355 Cb 0.00 1.90 -0.37 0.00 -1.73 0.00 0.00 68.15 67.95 1pg8 h THR 355 CO 0.00 0.42 -0.09 1.41 -0.25 0.00 0.00 175.52 177.01 1pg8 n HIS 356 N -4.47 3.41 0.07 4.73 8.25 -0.26 -4.85 115.22 122.10 1pg8 n HIS 356 Ca -0.06 -3.11 -0.21 0.00 -0.26 0.00 0.00 57.72 54.09 1pg8 n HIS 356 Cb 0.41 -0.57 -0.11 0.00 1.12 0.00 0.00 29.99 30.84 1pg8 n HIS 356 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1pg8 h SER 357 N 2.99 0.84 -2.59 0.41 0.87 -1.44 -3.33 113.55 111.30 1pg8 h SER 357 Ca 0.34 -0.74 -0.72 0.00 -1.23 0.00 0.00 61.79 59.44 1pg8 h SER 357 Cb 0.54 -0.26 -0.34 0.00 -0.44 0.00 0.00 62.40 61.90 1pg8 h SER 357 CO 1.01 1.54 0.24 -0.24 -0.53 0.00 0.00 176.83 178.85 1pg8 n SER 358 N -3.79 5.44 0.00 6.23 2.88 -1.26 -4.52 113.62 118.59 1pg8 n SER 358 Ca -0.12 -3.45 0.00 0.00 -1.33 0.00 0.00 58.87 53.97 1pg8 n SER 358 Cb 0.94 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1pg8 n SER 358 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1pg8 n TYR 359 N 1.00 0.00 -1.28 0.66 4.02 -1.25 -5.15 117.16 115.17 1pg8 n TYR 359 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.18 1pg8 n TYR 359 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1pg8 n TYR 359 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1pg8 n THR 360 N -0.76 -1.65 -0.27 -0.72 -2.24 -1.26 -4.08 114.28 103.30 1pg8 n THR 360 Ca 0.00 0.79 0.33 0.00 -2.27 0.00 0.00 64.05 62.90 1pg8 n THR 360 Cb 0.00 -1.20 0.62 0.00 -2.10 0.00 0.00 70.33 67.65 1pg8 n THR 360 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1pg8 h PRO 361 N 0.52 0.00 0.07 -0.78 0.11 -1.97 -3.13 132.00 126.82 1pg8 h PRO 361 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1pg8 h PRO 361 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1pg8 h PRO 361 CO 0.00 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 178.69 1pg8 h GLU 362 N 0.00 -0.09 -0.60 1.05 3.07 -1.99 -2.36 114.58 113.66 1pg8 h GLU 362 Ca 0.53 0.01 0.18 0.00 -0.50 0.00 0.00 59.36 59.57 1pg8 h GLU 362 Cb 2.63 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 30.54 1pg8 h GLU 362 CO -0.01 0.16 0.49 0.93 -1.40 0.00 0.00 179.01 179.18 1pg8 h GLU 363 N -1.00 0.00 -0.42 2.33 5.08 -1.69 0.56 114.58 119.44 1pg8 h GLU 363 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1pg8 h GLU 363 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1pg8 h GLU 363 CO 0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 179.01 177.87 1pg8 h ARG 364 N 0.00 0.85 -0.80 2.33 3.08 -1.61 -3.10 114.38 115.12 1pg8 h ARG 364 Ca 0.29 -0.35 0.09 0.00 0.07 0.00 0.00 59.98 60.08 1pg8 h ARG 364 Cb 1.26 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 31.20 1pg8 h ARG 364 CO -0.00 0.99 0.45 0.00 -1.07 0.00 0.00 179.97 180.33 1pg8 h ALA 365 N 0.84 1.13 0.00 0.04 0.00 -0.33 -2.43 119.26 118.51 1pg8 h ALA 365 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1pg8 h ALA 365 Cb 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1pg8 h ALA 365 CO 0.05 0.08 0.00 1.58 0.00 0.00 0.00 179.25 180.96 1pg8 n HIS 366 N -4.76 0.00 -0.41 0.00 -0.00 -0.96 -2.97 115.22 106.12 1pg8 n HIS 366 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 1pg8 n HIS 366 Cb 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.25 1pg8 n HIS 366 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1pg8 n TYR 367 N -0.40 0.00 0.00 1.57 4.01 -0.95 -5.01 117.16 116.37 1pg8 n TYR 367 Ca 0.00 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1pg8 n TYR 367 Cb 0.03 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1pg8 n TYR 367 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pg8 n GLY 368 N -0.02 1.00 3.55 2.72 0.00 -1.16 -4.91 105.19 106.37 1pg8 n GLY 368 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pg8 n GLY 368 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pg8 s ILE 369 N -2.27 3.79 0.71 -0.61 1.09 -0.97 -4.94 121.20 118.00 1pg8 s ILE 369 Ca 0.00 0.44 -0.16 0.00 -1.10 0.00 0.00 60.65 59.83 1pg8 s ILE 369 Cb 0.00 -4.88 0.03 0.00 -1.06 0.00 0.00 42.46 36.54 1pg8 s ILE 369 CO 0.00 -1.77 1.25 -0.55 -0.10 0.00 0.00 174.94 173.76 1pg8 s SER 370 N 3.63 4.25 0.45 3.58 0.15 -1.26 -4.01 113.70 120.49 1pg8 s SER 370 Ca 0.35 2.48 0.24 0.00 0.70 0.00 0.00 55.95 59.72 1pg8 s SER 370 Cb -0.08 -2.60 1.03 0.00 -1.71 0.00 0.00 66.02 62.65 1pg8 s SER 370 CO 0.16 -2.23 1.88 -0.08 1.20 0.00 0.00 173.24 174.17 1pg8 h GLU 371 N -0.04 0.00 -0.46 5.44 4.57 -1.94 -2.93 114.58 119.22 1pg8 h GLU 371 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1pg8 h GLU 371 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1pg8 h GLU 371 CO 0.50 0.23 0.00 0.41 -1.18 0.00 0.00 179.01 178.97 1pg8 n GLY 372 N -0.11 3.09 3.71 1.92 0.00 -1.26 -2.94 105.19 109.60 1pg8 n GLY 372 Ca -0.01 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1pg8 n GLY 372 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pg8 s LEU 373 N -1.85 4.36 -0.13 0.99 2.96 -1.11 -2.11 118.68 121.78 1pg8 s LEU 373 Ca 0.41 2.08 0.01 0.00 -0.22 0.00 0.00 54.13 56.40 1pg8 s LEU 373 Cb 0.27 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.41 1pg8 s LEU 373 CO 0.18 -0.54 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.84 1pg8 s VAL 374 N 1.30 1.47 -0.17 1.68 1.01 0.86 -4.09 120.40 122.46 1pg8 s VAL 374 Ca 0.60 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 1pg8 s VAL 374 Cb -0.31 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1pg8 s VAL 374 CO 0.29 0.44 0.13 -0.60 0.00 0.00 0.00 175.10 175.35 1pg8 s ARG 375 N 1.40 3.90 -0.14 2.72 3.52 0.16 -1.76 118.95 128.75 1pg8 s ARG 375 Ca 0.02 -0.20 -0.00 0.00 -0.13 0.00 0.00 55.73 55.42 1pg8 s ARG 375 Cb -0.13 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1pg8 s ARG 375 CO -0.08 0.47 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.23 1pg8 s LEU 376 N -0.13 2.65 -0.50 -0.88 1.43 0.15 -1.17 118.68 120.23 1pg8 s LEU 376 Ca 0.10 -0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 52.66 1pg8 s LEU 376 Cb -0.11 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.58 1pg8 s LEU 376 CO 0.00 0.14 0.53 -0.55 0.23 0.00 0.00 176.35 176.71 1pg8 s SER 377 N 0.47 6.19 0.03 2.29 0.15 -0.12 -1.05 113.70 121.67 1pg8 s SER 377 Ca -0.10 -1.14 -0.30 0.00 0.70 0.00 0.00 55.95 55.11 1pg8 s SER 377 Cb -0.16 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1pg8 s SER 377 CO 0.05 -0.80 0.99 -0.69 1.20 0.00 0.00 173.24 173.98 1pg8 s VAL 378 N 2.20 4.73 0.00 4.45 1.01 -0.57 -1.46 120.40 130.76 1pg8 s VAL 378 Ca 0.10 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.10 1pg8 s VAL 378 Cb -0.22 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.87 1pg8 s VAL 378 CO 0.09 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1pg8 n GLY 379 N 2.77 2.88 0.65 4.51 0.00 -1.26 -4.81 105.19 109.93 1pg8 n GLY 379 Ca 0.05 -2.00 0.08 0.00 0.00 0.00 0.00 46.02 44.15 1pg8 n GLY 379 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pg8 n LEU 380 N 0.00 2.34 -4.50 0.99 4.77 -0.39 -4.63 117.00 115.58 1pg8 n LEU 380 Ca 0.00 -0.98 -0.30 0.00 -0.03 0.00 0.00 56.01 54.69 1pg8 n LEU 380 Cb 0.00 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.29 1pg8 n LEU 380 CO 0.00 0.42 0.33 -0.62 -1.33 0.00 0.00 177.39 176.19 1pg8 n GLU 381 N 0.87 -1.37 -1.70 3.23 4.71 -1.26 -4.91 120.64 120.21 1pg8 n GLU 381 Ca 0.10 -0.36 -0.44 0.00 -0.01 0.00 0.00 57.16 56.45 1pg8 n GLU 381 Cb 0.41 -2.13 -0.03 0.00 -1.01 0.00 0.00 31.44 28.68 1pg8 n GLU 381 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1pg8 n ASP 382 N -3.74 3.68 -0.16 1.62 4.64 -1.26 -4.88 116.55 116.44 1pg8 n ASP 382 Ca 0.06 1.06 0.07 0.00 -1.38 0.00 0.00 54.79 54.60 1pg8 n ASP 382 Cb 0.54 -1.52 0.38 0.00 -1.04 0.00 0.00 41.12 39.49 1pg8 n ASP 382 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 1pg8 h ILE 383 N 3.86 1.00 -0.81 5.18 6.09 -1.96 -2.05 117.51 128.81 1pg8 h ILE 383 Ca -0.44 -0.24 -0.03 0.00 -1.37 0.00 0.00 64.86 62.78 1pg8 h ILE 383 Cb 1.22 0.25 -0.04 0.00 0.47 0.00 0.00 36.82 38.73 1pg8 h ILE 383 CO 0.93 0.13 0.37 0.44 -3.07 0.00 0.00 178.15 176.95 1pg8 h ASP 384 N 0.69 1.08 -0.41 2.19 3.45 -1.99 0.70 116.42 122.12 1pg8 h ASP 384 Ca 0.30 -0.14 -0.10 0.00 0.43 0.00 0.00 57.03 57.52 1pg8 h ASP 384 Cb 0.30 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.77 1pg8 h ASP 384 CO -0.10 0.92 -0.12 0.44 -1.57 0.00 0.00 179.24 178.81 1pg8 h ASP 385 N 1.16 0.87 -0.07 6.45 3.32 -1.77 -1.07 116.42 125.31 1pg8 h ASP 385 Ca 0.28 -0.28 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1pg8 h ASP 385 Cb 0.14 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1pg8 h ASP 385 CO -0.03 1.00 -0.58 -0.07 -1.72 0.00 0.00 179.24 177.84 1pg8 h LEU 386 N 0.78 0.75 0.85 1.55 3.38 -1.17 -2.15 115.31 119.30 1pg8 h LEU 386 Ca 0.13 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1pg8 h LEU 386 Cb 0.64 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1pg8 h LEU 386 CO 0.04 1.16 -0.41 -0.07 0.09 0.00 0.00 178.44 179.26 1pg8 h LEU 387 N 0.51 -0.96 -0.97 1.67 3.38 -0.78 -2.44 115.31 115.72 1pg8 h LEU 387 Ca 0.00 0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.29 1pg8 h LEU 387 Cb 1.15 0.25 -0.14 0.00 0.09 0.00 0.00 40.66 42.00 1pg8 h LEU 387 CO 0.11 -0.68 0.47 0.00 0.09 0.00 0.00 178.44 178.44 1pg8 h ALA 388 N -1.01 1.73 -0.07 1.53 0.00 -1.17 0.38 119.26 120.65 1pg8 h ALA 388 Ca -0.12 0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 1pg8 h ALA 388 Cb 0.88 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1pg8 h ALA 388 CO 0.19 -0.50 -0.88 0.22 0.00 0.00 0.00 179.25 178.28 1pg8 h ASP 389 N 0.33 0.80 -0.04 0.00 -0.00 -1.28 -0.96 116.42 115.26 1pg8 h ASP 389 Ca 0.67 -0.58 -0.01 0.00 -0.00 0.00 0.00 57.03 57.11 1pg8 h ASP 389 Cb 1.44 -0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 40.53 1pg8 h ASP 389 CO -0.60 1.37 -0.02 0.58 -0.00 0.00 0.00 179.24 180.57 1pg8 h VAL 390 N 0.41 1.32 -0.10 2.25 2.07 -0.77 -2.57 116.25 118.86 1pg8 h VAL 390 Ca -0.08 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.44 1pg8 h VAL 390 Cb 1.51 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1pg8 h VAL 390 CO 0.17 0.27 -0.06 -0.61 0.02 0.00 0.00 177.57 177.36 1pg8 h GLN 391 N -0.30 -0.01 -1.02 1.57 4.15 -0.20 -0.94 115.11 118.37 1pg8 h GLN 391 Ca 0.01 0.00 0.28 0.00 0.77 0.00 0.00 58.65 59.71 1pg8 h GLN 391 Cb 0.45 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.08 1pg8 h GLN 391 CO 0.01 -0.00 0.70 0.37 -1.93 0.00 0.00 178.83 177.97 1pg8 h GLN 392 N -0.01 0.17 0.00 1.69 -0.00 -1.25 -2.23 115.11 113.48 1pg8 h GLN 392 Ca 0.02 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.62 1pg8 h GLN 392 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.48 1pg8 h GLN 392 CO -0.10 0.11 -0.89 0.00 0.00 0.00 0.00 178.83 177.96 1pg8 h ALA 393 N 1.54 0.62 -0.21 3.38 0.00 -0.84 -2.99 119.26 120.77 1pg8 h ALA 393 Ca 0.52 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1pg8 h ALA 393 Cb 1.73 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 1pg8 h ALA 393 CO -0.12 0.21 -0.20 -0.07 0.00 0.00 0.00 179.25 179.08 1pg8 h LEU 394 N 0.00 0.53 -0.52 0.00 3.38 -0.60 -2.75 115.31 115.34 1pg8 h LEU 394 Ca -0.03 -0.47 0.10 0.00 0.09 0.00 0.00 57.88 57.57 1pg8 h LEU 394 Cb 1.13 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 1pg8 h LEU 394 CO 0.01 0.89 0.02 0.11 0.09 0.00 0.00 178.44 179.56 1pg8 h LYS 395 N 0.17 0.13 0.00 1.13 1.57 -1.53 -1.68 116.57 116.36 1pg8 h LYS 395 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1pg8 h LYS 395 Cb 0.74 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1pg8 h LYS 395 CO 0.05 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 179.02 1pg8 n ALA 396 N -2.67 2.10 0.32 3.86 0.00 -1.13 -3.34 120.51 119.65 1pg8 n ALA 396 Ca 0.06 0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.67 1pg8 n ALA 396 Cb 0.28 -1.45 0.61 0.00 0.00 0.00 0.00 19.45 18.90 1pg8 n ALA 396 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pg8 h SER 397 N 0.00 0.00 0.00 0.00 4.64 -0.99 -3.44 113.55 113.76 1pg8 h SER 397 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pg8 h SER 397 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1pg8 h SER 397 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96