#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1igj s VAL 2 N 0.00 4.70 -0.24 2.53 1.01 -1.26 -5.03 120.40 122.11 1igj s VAL 2 Ca 0.00 -0.90 -0.34 0.00 0.00 0.00 0.00 61.98 60.73 1igj s VAL 2 Cb 0.00 -4.56 -0.11 0.00 0.00 0.00 0.00 36.38 31.71 1igj s VAL 2 CO 0.00 -1.24 2.05 0.52 0.00 0.00 0.00 175.10 176.43 1igj n VAL 3 N 5.60 0.35 -3.44 2.92 0.31 -1.26 -4.78 118.33 118.04 1igj n VAL 3 Ca -0.05 -0.22 -0.37 0.00 -0.01 0.00 0.00 64.34 63.69 1igj n VAL 3 Cb 0.44 -1.82 -0.06 0.00 -0.91 0.00 0.00 33.84 31.49 1igj n VAL 3 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1igj s MET 4 N 5.28 3.94 -0.37 5.55 -1.94 -1.26 -2.84 119.30 127.66 1igj s MET 4 Ca 1.02 0.43 0.00 0.00 -1.71 0.00 0.00 55.69 55.43 1igj s MET 4 Cb -0.75 -3.09 0.12 0.00 2.01 0.00 0.00 34.83 33.13 1igj s MET 4 CO 0.50 0.59 0.18 0.99 -0.01 0.00 0.00 175.02 177.27 1igj s THR 5 N -1.27 0.92 0.15 2.05 2.01 -0.02 -4.40 115.64 115.09 1igj s THR 5 Ca 0.31 -1.93 -0.23 0.00 0.31 0.00 0.00 61.69 60.15 1igj s THR 5 Cb -0.16 -1.67 -0.08 0.00 0.01 0.00 0.00 72.50 70.60 1igj s THR 5 CO 0.17 -0.83 0.71 -1.10 -0.69 0.00 0.00 174.62 172.88 1igj s GLN 6 N 0.98 4.41 0.02 4.92 -0.21 -1.26 -2.45 119.66 126.07 1igj s GLN 6 Ca 0.15 0.99 -0.03 0.00 0.02 0.00 0.00 55.36 56.49 1igj s GLN 6 Cb -0.22 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.61 1igj s GLN 6 CO -0.09 0.55 0.04 0.99 -2.12 0.00 0.00 175.29 174.66 1igj s THR 7 N -1.22 0.12 0.88 -0.19 2.01 -1.20 -4.71 115.64 111.33 1igj s THR 7 Ca 0.36 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 1igj s THR 7 Cb -0.21 -0.56 0.13 0.00 0.01 0.00 0.00 72.50 71.87 1igj s THR 7 CO 0.23 -0.54 1.21 -2.16 -0.69 0.00 0.00 174.62 172.67 1igj s PRO 8 N -1.92 1.33 -0.06 4.92 0.04 -1.26 -3.29 135.00 134.75 1igj s PRO 8 Ca -0.11 0.00 -0.23 0.00 0.04 0.00 0.00 61.00 60.70 1igj s PRO 8 Cb -0.06 -1.89 -0.18 0.00 0.04 0.00 0.00 34.50 32.41 1igj s PRO 8 CO -0.02 -2.01 0.94 -0.07 0.04 0.00 0.00 177.00 175.88 1igj h LEU 9 N -1.36 -0.10 -8.25 -3.56 3.38 -1.87 -3.42 115.31 100.13 1igj h LEU 9 Ca -0.46 -0.49 -0.66 0.00 0.09 0.00 0.00 57.88 56.35 1igj h LEU 9 Cb 1.30 0.03 -0.31 0.00 0.09 0.00 0.00 40.66 41.77 1igj h LEU 9 CO 0.57 0.51 -0.78 -0.44 0.09 0.00 0.00 178.44 178.38 1igj s SER 10 N -5.66 3.77 -0.41 -0.43 0.01 -1.26 -0.12 113.70 109.60 1igj s SER 10 Ca -0.14 -0.50 -0.12 0.00 1.31 0.00 0.00 55.95 56.49 1igj s SER 10 Cb 0.00 -1.62 0.05 0.00 0.21 0.00 0.00 66.02 64.66 1igj s SER 10 CO 0.55 -0.01 0.27 -0.22 0.41 0.00 0.00 173.24 174.25 1igj s LEU 11 N 1.36 5.06 -0.15 2.44 2.96 0.55 -4.94 118.68 125.96 1igj s LEU 11 Ca 0.05 -1.16 -0.24 0.00 -0.22 0.00 0.00 54.13 52.55 1igj s LEU 11 Cb -0.14 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1igj s LEU 11 CO -0.07 -0.48 0.79 -2.16 -1.32 0.00 0.00 176.35 173.10 1igj s PRO 12 N 1.56 4.31 0.45 0.98 0.04 -1.25 -2.11 135.00 138.98 1igj s PRO 12 Ca 0.03 0.95 0.03 0.00 0.04 0.00 0.00 61.00 62.04 1igj s PRO 12 Cb -0.21 -3.55 -0.02 0.00 0.04 0.00 0.00 34.50 30.76 1igj s PRO 12 CO 0.06 -0.25 0.07 0.14 0.04 0.00 0.00 177.00 177.06 1igj s VAL 13 N 1.87 0.92 0.36 -0.36 -7.23 -0.06 -4.84 120.40 111.06 1igj s VAL 13 Ca 0.37 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.60 1igj s VAL 13 Cb -0.17 -2.31 -0.07 0.00 0.56 0.00 0.00 36.38 34.39 1igj s VAL 13 CO 0.13 0.00 0.02 -0.44 -0.31 0.00 0.00 175.10 174.50 1igj s SER 14 N -3.72 3.21 -0.04 4.85 0.01 -1.26 0.21 113.70 116.96 1igj s SER 14 Ca 0.17 -1.35 -0.29 0.00 1.31 0.00 0.00 55.95 55.79 1igj s SER 14 Cb 0.03 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 1igj s SER 14 CO 0.10 -0.49 0.97 -0.76 0.41 0.00 0.00 173.24 173.47 1igj s LEU 15 N -3.60 4.32 0.00 2.44 1.43 -1.26 -2.84 118.68 119.18 1igj s LEU 15 Ca 0.35 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1igj s LEU 15 Cb 0.09 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1igj s LEU 15 CO 0.16 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.04 1igj n GLY 16 N 2.99 0.80 2.32 -3.19 0.00 0.17 -4.91 105.19 103.36 1igj n GLY 16 Ca 0.06 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 1igj n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1igj n ASP 17 N 0.31 0.49 -4.90 1.61 9.92 -1.13 -4.41 116.55 118.44 1igj n ASP 17 Ca 0.00 -1.51 -0.32 0.00 -0.53 0.00 0.00 54.79 52.42 1igj n ASP 17 Cb 0.00 -0.48 -0.05 0.00 -0.64 0.00 0.00 41.12 39.95 1igj n ASP 17 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1igj s GLN 18 N -4.33 3.55 -0.11 -1.24 1.11 -1.17 -1.15 119.66 116.32 1igj s GLN 18 Ca 0.42 -0.20 0.04 0.00 0.01 0.00 0.00 55.36 55.63 1igj s GLN 18 Cb -0.02 -2.99 0.00 0.00 -1.01 0.00 0.00 33.01 29.00 1igj s GLN 18 CO 0.29 0.57 -0.23 0.00 0.01 0.00 0.00 175.29 175.93 1igj s ALA 19 N -1.49 2.20 -0.13 6.09 0.00 -0.88 -4.96 121.76 122.59 1igj s ALA 19 Ca 0.34 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1igj s ALA 19 Cb -0.13 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.15 1igj s ALA 19 CO 0.23 0.22 -0.17 -1.12 0.00 0.00 0.00 175.76 174.92 1igj s SER 20 N 0.44 2.69 -0.06 0.00 0.01 -1.26 -0.56 113.70 114.96 1igj s SER 20 Ca -0.16 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.62 1igj s SER 20 Cb -0.17 -1.22 0.01 0.00 0.21 0.00 0.00 66.02 64.85 1igj s SER 20 CO 0.07 0.01 -0.11 -0.63 0.41 0.00 0.00 173.24 172.99 1igj s ILE 21 N 1.10 1.03 -0.04 1.44 1.01 0.30 -4.88 121.20 121.17 1igj s ILE 21 Ca -0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 1igj s ILE 21 Cb -0.14 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 1igj s ILE 21 CO -0.05 0.33 0.08 -0.44 0.00 0.00 0.00 174.94 174.86 1igj s SER 22 N 0.69 5.74 -0.06 3.58 0.01 -1.21 -0.99 113.70 121.46 1igj s SER 22 Ca -0.14 0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.32 1igj s SER 22 Cb -0.15 -1.69 0.03 0.00 0.21 0.00 0.00 66.02 64.42 1igj s SER 22 CO 0.03 0.31 0.00 0.00 0.41 0.00 0.00 173.24 174.00 1igj s ARG 24 N 1.86 2.26 0.09 0.00 0.52 -1.03 -0.55 118.95 122.11 1igj s ARG 24 Ca 0.03 -0.85 0.05 0.00 -0.52 0.00 0.00 55.73 54.44 1igj s ARG 24 Cb -0.12 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 1igj s ARG 24 CO -0.04 0.58 -0.03 -1.12 0.02 0.00 0.00 175.30 174.70 1igj s SER 25 N -0.97 4.82 0.00 0.23 0.01 0.79 -0.84 113.70 117.76 1igj s SER 25 Ca 0.12 -0.24 0.12 0.00 1.31 0.00 0.00 55.95 57.26 1igj s SER 25 Cb -0.10 -1.08 0.72 0.00 0.21 0.00 0.00 66.02 65.77 1igj s SER 25 CO 0.02 0.18 1.18 -1.54 0.41 0.00 0.00 173.24 173.48 1igj n SER 26 N 0.62 0.00 0.00 2.44 3.41 -1.13 -4.81 113.62 114.16 1igj n SER 26 Ca -0.12 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 1igj n SER 26 Cb 0.52 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1igj n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1igj n GLN 27 N -1.03 0.00 -1.67 4.33 10.64 -1.26 -4.98 117.38 123.42 1igj n GLN 27 Ca 0.09 0.00 -0.46 0.00 -1.83 0.00 0.00 57.00 54.80 1igj n GLN 27 Cb 0.05 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.39 1igj n GLN 27 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1igj n SER 27 N 0.00 2.90 -0.78 2.61 2.88 -1.25 -4.71 113.62 115.27 1igj n SER 27 Ca 0.00 1.11 0.12 0.00 -1.33 0.00 0.00 58.87 58.77 1igj n SER 27 Cb 0.00 -1.42 0.31 0.00 -0.75 0.00 0.00 64.21 62.34 1igj n SER 27 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1igj n LEU 27 N 2.83 2.38 -4.69 2.46 4.77 -0.07 -4.88 117.00 119.81 1igj n LEU 27 Ca 0.15 -0.91 -0.42 0.00 -0.03 0.00 0.00 56.01 54.80 1igj n LEU 27 Cb 0.30 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1igj n LEU 27 CO 0.63 0.45 1.30 -0.69 -1.33 0.00 0.00 177.39 177.76 1igj s VAL 27 N -1.83 3.17 0.60 4.08 1.01 -1.26 -3.36 120.40 122.82 1igj s VAL 27 Ca 0.34 0.58 -0.10 0.00 0.00 0.00 0.00 61.98 62.81 1igj s VAL 27 Cb 0.20 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1igj s VAL 27 CO 0.30 -0.01 0.99 -2.28 0.00 0.00 0.00 175.10 174.10 1igj s HIS 27 N 2.73 3.57 -2.00 5.22 2.46 0.16 -4.93 115.29 122.50 1igj s HIS 27 Ca 0.73 1.15 0.03 0.00 0.47 0.00 0.00 55.06 57.44 1igj s HIS 27 Cb -0.38 -2.68 0.16 0.00 -0.13 0.00 0.00 32.58 29.54 1igj s HIS 27 CO 0.31 -0.67 0.58 -1.13 -2.47 0.00 0.00 174.74 171.36 1igj n SER 27 N -2.68 0.00 -1.61 9.88 3.41 -1.26 -0.62 113.62 120.73 1igj n SER 27 Ca 0.05 -0.77 -0.01 0.00 -0.26 0.00 0.00 58.87 57.89 1igj n SER 27 Cb 0.55 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.57 1igj n SER 27 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1igj n ASN 28 N -0.60 1.92 0.00 4.04 6.94 -1.26 -5.03 115.26 121.28 1igj n ASN 28 Ca 0.02 -2.80 0.00 0.00 -0.02 0.00 0.00 54.58 51.78 1igj n ASN 28 Cb 0.01 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 1igj n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1igj n GLY 29 N -0.36 2.16 3.82 4.83 0.00 0.21 -4.96 105.19 110.89 1igj n GLY 29 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1igj n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1igj s ASN 30 N -0.79 7.02 -0.13 1.61 0.01 -1.26 -4.74 114.94 116.66 1igj s ASN 30 Ca 0.00 1.59 -0.01 0.00 -0.71 0.00 0.00 52.86 53.73 1igj s ASN 30 Cb 0.00 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.15 1igj s ASN 30 CO 0.00 -0.18 -0.11 -0.89 -1.51 0.00 0.00 177.10 174.41 1igj s THR 31 N -1.88 3.26 -0.68 1.60 2.01 -1.26 0.38 115.64 119.07 1igj s THR 31 Ca 0.54 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 1igj s THR 31 Cb -0.13 -2.38 0.17 0.00 0.01 0.00 0.00 72.50 70.17 1igj s THR 31 CO 0.18 0.52 0.50 -0.31 -0.69 0.00 0.00 174.62 174.83 1igj s TYR 32 N 0.27 3.49 -0.08 4.92 2.02 -1.21 -4.46 117.35 122.29 1igj s TYR 32 Ca -0.08 -2.83 0.04 0.00 -0.37 0.00 0.00 57.07 53.83 1igj s TYR 32 Cb -0.15 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.24 1igj s TYR 32 CO 0.05 -0.80 -0.21 -1.17 -1.57 0.00 0.00 175.55 171.85 1igj s LEU 33 N -0.40 1.98 0.12 -1.29 2.96 -1.26 -1.50 118.68 119.28 1igj s LEU 33 Ca 0.19 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1igj s LEU 33 Cb -0.17 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 1igj s LEU 33 CO -0.05 0.15 -0.18 0.20 -1.32 0.00 0.00 176.35 175.14 1igj s ASN 34 N 0.29 2.37 -0.01 3.68 0.01 0.47 -0.37 114.94 121.37 1igj s ASN 34 Ca -0.14 -0.74 0.03 0.00 -0.71 0.00 0.00 52.86 51.30 1igj s ASN 34 Cb -0.16 -0.12 -0.01 0.00 0.41 0.00 0.00 41.25 41.37 1igj s ASN 34 CO 0.06 -0.02 -0.12 0.26 -1.51 0.00 0.00 177.10 175.78 1igj s TRP 35 N -1.58 1.06 0.01 2.20 0.52 0.09 0.31 118.94 121.55 1igj s TRP 35 Ca 0.08 -0.22 0.05 0.00 0.02 0.00 0.00 56.10 56.03 1igj s TRP 35 Cb -0.08 -0.70 -0.02 0.00 -1.15 0.00 0.00 33.47 31.53 1igj s TRP 35 CO 0.04 -0.04 -0.15 0.71 0.02 0.00 0.00 176.95 177.54 1igj s TYR 36 N -0.18 1.32 -0.07 -1.98 2.02 -0.24 -1.45 117.35 116.77 1igj s TYR 36 Ca 0.03 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.45 1igj s TYR 36 Cb -0.05 -0.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 1igj s TYR 36 CO -0.00 0.01 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.76 1igj s LEU 37 N -0.65 3.24 -0.20 -1.29 2.96 -0.51 -1.56 118.68 120.66 1igj s LEU 37 Ca 0.04 -0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1igj s LEU 37 Cb -0.07 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.95 1igj s LEU 37 CO 0.00 0.36 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.72 1igj s GLN 38 N -0.87 1.93 0.37 1.98 0.74 0.11 -0.78 119.66 123.14 1igj s GLN 38 Ca 0.13 -0.84 -0.12 0.00 0.05 0.00 0.00 55.36 54.58 1igj s GLN 38 Cb -0.11 -2.41 -0.07 0.00 1.10 0.00 0.00 33.01 31.52 1igj s GLN 38 CO 0.02 -0.45 0.74 0.21 -0.55 0.00 0.00 175.29 175.26 1igj s LYS 39 N 1.41 3.84 0.23 1.67 2.20 -1.26 -0.73 119.74 127.11 1igj s LYS 39 Ca -0.02 0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 55.79 1igj s LYS 39 Cb -0.16 -2.42 -0.12 0.00 -1.51 0.00 0.00 37.83 33.61 1igj s LYS 39 CO -0.08 0.05 1.69 0.00 -0.36 0.00 0.00 175.35 176.65 1igj s ALA 40 N -2.22 3.89 0.00 3.13 0.00 -1.26 -1.26 121.76 124.05 1igj s ALA 40 Ca 0.52 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.07 1igj s ALA 40 Cb -0.10 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1igj s ALA 40 CO 0.26 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1igj n GLY 41 N 3.45 0.87 3.53 0.00 0.00 -1.26 -5.01 105.19 106.76 1igj n GLY 41 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1igj n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1igj s GLN 42 N -0.15 1.86 0.82 1.61 -0.21 -0.39 -5.16 119.66 118.05 1igj s GLN 42 Ca 0.00 -2.11 -0.12 0.00 0.02 0.00 0.00 55.36 53.16 1igj s GLN 42 Cb 0.00 -0.88 0.08 0.00 1.00 0.00 0.00 33.01 33.21 1igj s GLN 42 CO 0.00 -0.33 1.10 -1.12 -2.12 0.00 0.00 175.29 172.82 1igj s SER 43 N -3.60 4.25 0.87 5.90 0.01 -1.26 -4.56 113.70 115.31 1igj s SER 43 Ca 0.27 1.31 -0.10 0.00 1.31 0.00 0.00 55.95 58.73 1igj s SER 43 Cb 0.05 -2.02 0.12 0.00 0.21 0.00 0.00 66.02 64.38 1igj s SER 43 CO 0.13 -2.12 1.12 -2.84 0.41 0.00 0.00 173.24 169.95 1igj s PRO 44 N -5.13 1.42 0.01 12.44 0.02 -1.26 -4.05 135.00 138.46 1igj s PRO 44 Ca 0.61 1.38 -0.05 0.00 0.02 0.00 0.00 61.00 62.96 1igj s PRO 44 Cb -0.15 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.58 1igj s PRO 44 CO 0.55 -2.29 0.08 0.21 -0.33 0.00 0.00 177.00 175.21 1igj s LYS 45 N -4.75 0.43 -0.52 5.54 2.36 0.04 -4.93 119.74 117.92 1igj s LYS 45 Ca 0.65 -0.49 -0.28 0.00 -2.55 0.00 0.00 55.97 53.29 1igj s LYS 45 Cb -0.21 0.17 0.03 0.00 -1.05 0.00 0.00 37.83 36.78 1igj s LYS 45 CO 0.57 -0.10 1.13 -1.17 1.55 0.00 0.00 175.35 177.34 1igj s LEU 46 N -1.46 3.62 -0.14 5.43 2.96 -1.26 -1.42 118.68 126.40 1igj s LEU 46 Ca -0.15 0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.95 1igj s LEU 46 Cb -0.08 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 1igj s LEU 46 CO 0.00 -1.32 -0.11 -0.07 -1.32 0.00 0.00 176.35 173.53 1igj h LEU 47 N 11.42 0.00 -7.32 -0.68 3.38 -1.61 -3.41 115.31 117.09 1igj h LEU 47 Ca -0.24 -0.05 -0.32 0.00 0.09 0.00 0.00 57.88 57.36 1igj h LEU 47 Cb 1.06 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.44 1igj h LEU 47 CO 1.14 0.79 -0.69 -0.63 0.09 0.00 0.00 178.44 179.14 1igj s ILE 48 N -2.17 -0.16 0.28 1.22 1.09 -1.18 -1.54 121.20 118.73 1igj s ILE 48 Ca -0.14 0.36 0.07 0.00 -1.10 0.00 0.00 60.65 59.83 1igj s ILE 48 Cb 0.02 -0.21 -0.03 0.00 -1.06 0.00 0.00 42.46 41.18 1igj s ILE 48 CO 0.23 0.15 0.29 -0.72 -0.10 0.00 0.00 174.94 174.79 1igj s TYR 49 N 2.04 3.13 -0.82 3.97 1.13 -0.79 -0.73 117.35 125.28 1igj s TYR 49 Ca 0.02 -0.16 -0.01 0.00 -1.41 0.00 0.00 57.07 55.51 1igj s TYR 49 Cb -0.12 -1.62 0.00 0.00 -1.10 0.00 0.00 41.96 39.13 1igj s TYR 49 CO -0.04 0.35 0.61 1.63 -2.51 0.00 0.00 175.55 175.58 1igj n LYS 50 N -1.34 -1.55 0.00 -3.49 5.02 0.50 -2.03 118.16 115.27 1igj n LYS 50 Ca -0.05 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1igj n LYS 50 Cb 0.58 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1igj n LYS 50 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1igj n VAL 51 N -2.54 0.00 -0.10 -0.18 3.14 -0.64 -2.87 118.33 115.14 1igj n VAL 51 Ca -0.31 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1igj n VAL 51 Cb 0.69 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.47 1igj n VAL 51 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1igj n SER 52 N 0.00 0.70 -4.58 6.55 3.41 -1.25 -3.34 113.62 115.10 1igj n SER 52 Ca 0.00 -0.88 -0.41 0.00 -0.26 0.00 0.00 58.87 57.31 1igj n SER 52 Cb 0.00 0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 1igj n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1igj s ASN 53 N -0.18 6.42 0.15 4.04 0.01 -0.86 -4.58 114.94 119.95 1igj s ASN 53 Ca 0.00 0.26 -0.31 0.00 -0.71 0.00 0.00 52.86 52.10 1igj s ASN 53 Cb 0.00 -2.31 -0.08 0.00 0.41 0.00 0.00 41.25 39.27 1igj s ASN 53 CO 0.00 -0.48 1.33 -0.13 -1.51 0.00 0.00 177.10 176.31 1igj s ARG 54 N 2.54 4.37 0.38 -0.60 0.52 -1.26 -1.88 118.95 123.02 1igj s ARG 54 Ca 0.23 2.03 -0.25 0.00 -0.52 0.00 0.00 55.73 57.22 1igj s ARG 54 Cb -0.15 -3.23 -0.09 0.00 0.52 0.00 0.00 34.95 32.00 1igj s ARG 54 CO 0.13 -0.32 1.09 0.12 0.02 0.00 0.00 175.30 176.34 1igj s PHE 55 N 0.58 3.25 -0.40 -0.53 5.36 -0.59 -4.86 117.98 120.79 1igj s PHE 55 Ca 0.60 1.63 -0.39 0.00 -0.96 0.00 0.00 56.93 57.81 1igj s PHE 55 Cb -0.36 -3.23 -0.14 0.00 -0.34 0.00 0.00 43.02 38.95 1igj s PHE 55 CO 0.34 -0.82 2.13 0.43 -1.46 0.00 0.00 175.22 175.84 1igj n SER 56 N 0.13 1.67 0.00 6.13 7.64 -1.26 -0.75 113.62 127.18 1igj n SER 56 Ca 0.04 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1igj n SER 56 Cb 0.48 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1igj n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1igj n GLY 57 N 6.68 1.51 3.74 0.23 0.00 -1.26 -5.08 105.19 111.00 1igj n GLY 57 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 1igj n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1igj s VAL 58 N -1.52 2.93 0.58 1.61 1.01 0.07 -5.01 120.40 120.06 1igj s VAL 58 Ca 0.00 0.75 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 1igj s VAL 58 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1igj s VAL 58 CO 0.00 0.10 1.11 -2.16 0.00 0.00 0.00 175.10 174.15 1igj s PRO 59 N 0.07 3.22 0.35 2.72 0.04 -1.26 -4.90 135.00 135.24 1igj s PRO 59 Ca 0.60 1.48 0.08 0.00 0.04 0.00 0.00 61.00 63.21 1igj s PRO 59 Cb -0.40 -2.00 0.44 0.00 0.04 0.00 0.00 34.50 32.59 1igj s PRO 59 CO 0.38 -0.94 1.09 0.38 0.04 0.00 0.00 177.00 177.96 1igj h ASP 60 N 0.79 0.00 0.51 6.66 2.03 -2.02 -1.89 116.42 122.51 1igj h ASP 60 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1igj h ASP 60 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1igj h ASP 60 CO 0.56 0.00 -0.19 -2.11 -1.03 0.00 0.00 179.24 176.47 1igj n ARG 61 N -1.97 0.41 -3.87 4.15 1.85 -1.26 -4.64 116.66 111.33 1igj n ARG 61 Ca -0.01 -0.16 -0.35 0.00 -1.00 0.00 0.00 57.85 56.33 1igj n ARG 61 Cb 0.51 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.29 1igj n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1igj s PHE 62 N -2.70 3.01 -0.06 2.89 0.08 -0.71 -0.95 117.98 119.53 1igj s PHE 62 Ca 0.21 -0.90 -0.08 0.00 0.12 0.00 0.00 56.93 56.29 1igj s PHE 62 Cb 0.19 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1igj s PHE 62 CO 0.54 -0.53 0.20 -1.54 -0.10 0.00 0.00 175.22 173.79 1igj s SER 63 N 1.49 -0.18 0.33 1.36 1.04 -1.19 -4.92 113.70 111.64 1igj s SER 63 Ca 0.05 0.31 0.08 0.00 0.48 0.00 0.00 55.95 56.87 1igj s SER 63 Cb -0.15 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1igj s SER 63 CO -0.02 -0.13 0.13 -0.83 0.98 0.00 0.00 173.24 173.37 1igj s GLY 64 N -0.18 1.90 0.29 7.32 0.00 -1.25 -3.08 107.32 112.31 1igj s GLY 64 Ca -0.03 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 42.79 1igj s GLY 64 CO 0.01 -1.74 0.52 -1.35 0.00 0.00 0.00 173.10 170.53 1igj s SER 65 N -3.83 0.15 0.00 1.64 1.04 -1.05 -4.25 113.70 107.41 1igj s SER 65 Ca 0.37 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1igj s SER 65 Cb -0.03 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1igj s SER 65 CO 0.22 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1igj n GLY 66 N -0.44 1.39 3.48 7.32 0.00 -1.26 -1.16 105.19 114.52 1igj n GLY 66 Ca -0.02 -2.23 -0.16 0.00 0.00 0.00 0.00 46.02 43.62 1igj n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1igj s SER 67 N 0.00 -0.59 0.00 1.61 1.04 -0.53 -4.95 113.70 110.28 1igj s SER 67 Ca 0.00 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.23 1igj s SER 67 Cb 0.00 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1igj s SER 67 CO 0.00 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1igj n GLY 68 N 1.55 0.65 0.00 7.32 0.00 -1.26 -2.62 105.19 110.83 1igj n GLY 68 Ca -0.18 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1igj n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1igj n THR 69 N 0.00 0.00 -4.57 2.61 -2.24 -1.26 -0.89 114.28 107.93 1igj n THR 69 Ca 0.00 -0.06 -0.25 0.00 -2.27 0.00 0.00 64.05 61.47 1igj n THR 69 Cb 0.00 0.43 -0.17 0.00 -2.10 0.00 0.00 70.33 68.49 1igj n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1igj s ASP 70 N -0.88 1.91 0.04 3.42 1.11 -1.08 -0.15 116.67 121.04 1igj s ASP 70 Ca 0.00 -0.32 -0.02 0.00 0.18 0.00 0.00 52.55 52.39 1igj s ASP 70 Cb 0.00 -0.87 -0.02 0.00 1.07 0.00 0.00 42.92 43.09 1igj s ASP 70 CO 0.00 0.03 0.02 -0.36 1.18 0.00 0.00 175.17 176.04 1igj s PHE 71 N 0.73 0.31 0.05 4.23 0.08 0.29 -1.46 117.98 122.21 1igj s PHE 71 Ca -0.13 -0.68 -0.00 0.00 0.12 0.00 0.00 56.93 56.24 1igj s PHE 71 Cb -0.16 -0.23 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 1igj s PHE 71 CO 0.03 -0.31 -0.04 0.99 -0.10 0.00 0.00 175.22 175.79 1igj s THR 72 N -2.61 0.27 -0.03 0.64 2.01 -0.31 -0.88 115.64 114.74 1igj s THR 72 Ca -0.05 -1.58 0.04 0.00 0.31 0.00 0.00 61.69 60.41 1igj s THR 72 Cb -0.01 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 1igj s THR 72 CO -0.05 -0.84 -0.16 -0.22 -0.69 0.00 0.00 174.62 172.67 1igj s LEU 73 N -2.53 1.94 -0.08 4.42 2.96 -0.16 -2.53 118.68 122.70 1igj s LEU 73 Ca 0.01 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1igj s LEU 73 Cb 0.03 -0.87 0.02 0.00 0.50 0.00 0.00 46.19 45.86 1igj s LEU 73 CO -0.07 0.16 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.48 1igj s LYS 74 N -0.11 1.62 -0.19 1.98 1.02 -1.18 -0.54 119.74 122.34 1igj s LYS 74 Ca 0.00 -0.35 -0.07 0.00 0.02 0.00 0.00 55.97 55.57 1igj s LYS 74 Cb -0.09 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.73 1igj s LYS 74 CO 0.01 -0.08 0.07 0.42 -0.92 0.00 0.00 175.35 174.84 1igj s ILE 75 N 1.03 4.75 -0.05 2.17 1.01 0.28 -3.13 121.20 127.26 1igj s ILE 75 Ca -0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 1igj s ILE 75 Cb -0.15 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1igj s ILE 75 CO -0.01 0.44 0.41 0.77 0.00 0.00 0.00 174.94 176.56 1igj h SER 76 N 6.90 -0.27 -3.74 3.58 4.64 -1.32 -2.35 113.55 120.99 1igj h SER 76 Ca -0.37 0.01 -0.64 0.00 -0.47 0.00 0.00 61.79 60.32 1igj h SER 76 Cb 1.17 0.07 -0.38 0.00 -0.31 0.00 0.00 62.40 62.95 1igj h SER 76 CO 0.68 0.11 -0.79 0.00 -0.87 0.00 0.00 176.83 175.97 1igj s ARG 77 N -2.58 1.89 -0.55 4.77 3.03 -1.24 -3.06 118.95 121.21 1igj s ARG 77 Ca -0.05 -1.23 -0.27 0.00 2.03 0.00 0.00 55.73 56.22 1igj s ARG 77 Cb 0.00 -2.77 -0.03 0.00 -1.03 0.00 0.00 34.95 31.12 1igj s ARG 77 CO 0.14 -0.62 2.01 0.08 -1.13 0.00 0.00 175.30 175.79 1igj s VAL 78 N 1.22 3.26 0.90 4.99 1.01 -0.30 -4.75 120.40 126.73 1igj s VAL 78 Ca -0.06 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 1igj s VAL 78 Cb -0.19 -3.64 0.13 0.00 0.00 0.00 0.00 36.38 32.67 1igj s VAL 78 CO -0.06 -0.61 1.14 -1.61 0.00 0.00 0.00 175.10 173.97 1igj s GLU 79 N 7.26 1.21 0.34 2.72 0.41 -1.26 0.43 118.70 129.81 1igj s GLU 79 Ca 0.77 0.26 0.05 0.00 -0.41 0.00 0.00 54.97 55.64 1igj s GLU 79 Cb -0.15 -1.85 0.61 0.00 -1.78 0.00 0.00 34.13 30.96 1igj s GLU 79 CO 0.23 -2.14 1.85 0.00 -0.49 0.00 0.00 175.26 174.71 1igj h ALA 80 N -1.46 1.35 -0.01 5.21 0.00 -2.00 -2.94 119.26 119.41 1igj h ALA 80 Ca -0.50 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 1igj h ALA 80 Cb 1.33 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1igj h ALA 80 CO 0.62 0.44 0.01 -0.85 0.00 0.00 0.00 179.25 179.47 1igj n GLU 81 N -4.24 1.03 0.00 0.00 0.28 -1.26 -2.51 120.64 113.94 1igj n GLU 81 Ca 0.00 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1igj n GLU 81 Cb 0.29 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 31.93 1igj n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1igj n ASP 82 N 0.28 1.01 -4.72 -1.84 8.00 -1.11 -4.99 116.55 113.18 1igj n ASP 82 Ca 0.01 -1.01 -0.41 0.00 0.71 0.00 0.00 54.79 54.09 1igj n ASP 82 Cb 0.41 0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.52 1igj n ASP 82 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1igj s LEU 83 N -0.14 4.44 0.00 0.64 1.43 -1.05 -4.89 118.68 119.11 1igj s LEU 83 Ca 0.01 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 1igj s LEU 83 Cb 0.01 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1igj s LEU 83 CO 0.01 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 176.97 1igj n GLY 84 N 2.56 -0.82 3.50 -3.19 0.00 -1.26 -4.69 105.19 101.29 1igj n GLY 84 Ca 0.05 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 1igj n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1igj s ILE 85 N -3.00 3.96 -0.21 -0.61 1.01 0.09 -2.18 121.20 120.26 1igj s ILE 85 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 1igj s ILE 85 Cb 0.00 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1igj s ILE 85 CO 0.00 0.48 -0.03 -0.31 0.00 0.00 0.00 174.94 175.08 1igj s TYR 86 N 0.45 2.97 -0.04 3.97 2.02 0.14 0.04 117.35 126.90 1igj s TYR 86 Ca -0.03 -0.72 0.06 0.00 -0.37 0.00 0.00 57.07 56.01 1igj s TYR 86 Cb -0.14 -2.08 -0.01 0.00 -0.40 0.00 0.00 41.96 39.33 1igj s TYR 86 CO 0.03 -0.40 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.32 1igj s PHE 87 N 1.20 2.17 0.29 2.71 0.40 -0.60 -1.23 117.98 122.92 1igj s PHE 87 Ca 0.03 -0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 55.77 1igj s PHE 87 Cb -0.14 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1igj s PHE 87 CO -0.00 -0.14 0.52 0.00 0.70 0.00 0.00 175.22 176.30 1igj s SER 89 N -3.46 0.31 -0.07 0.00 0.15 0.15 -0.67 113.70 110.10 1igj s SER 89 Ca 0.42 -0.66 0.04 0.00 0.70 0.00 0.00 55.95 56.45 1igj s SER 89 Cb -0.10 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1igj s SER 89 CO 0.32 -0.42 -0.19 0.00 1.20 0.00 0.00 173.24 174.15 1igj s GLN 90 N -2.36 2.35 -0.00 5.44 1.03 -0.04 -0.39 119.66 125.69 1igj s GLN 90 Ca -0.08 -0.70 0.09 0.00 0.04 0.00 0.00 55.36 54.72 1igj s GLN 90 Cb -0.03 -1.88 0.26 0.00 0.03 0.00 0.00 33.01 31.38 1igj s GLN 90 CO -0.04 0.18 1.22 0.25 -2.54 0.00 0.00 175.29 174.35 1igj n THR 91 N 3.45 1.01 0.08 3.63 -2.24 -0.56 -2.14 114.28 117.49 1igj n THR 91 Ca -0.20 -1.00 -0.22 0.00 -2.27 0.00 0.00 64.05 60.36 1igj n THR 91 Cb 0.52 0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 69.13 1igj n THR 91 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1igj h THR 92 N 1.71 1.31 -2.08 4.28 2.02 -1.87 -3.46 112.91 114.81 1igj h THR 92 Ca 0.00 -2.40 -0.57 0.00 0.77 0.00 0.00 66.41 64.20 1igj h THR 92 Cb 0.70 2.68 -0.11 0.00 -1.74 0.00 0.00 68.15 69.68 1igj h THR 92 CO 0.00 0.73 -0.65 -1.00 0.37 0.00 0.00 175.52 174.97 1igj s HIS 93 N -3.01 2.57 -0.01 3.16 3.76 -1.26 -5.02 115.29 115.48 1igj s HIS 93 Ca -0.10 -0.33 -0.11 0.00 -0.15 0.00 0.00 55.06 54.37 1igj s HIS 93 Cb 0.05 -1.29 -0.05 0.00 1.11 0.00 0.00 32.58 32.40 1igj s HIS 93 CO 0.92 0.57 0.33 0.54 -0.85 0.00 0.00 174.74 176.25 1igj s VAL 94 N -2.43 5.18 0.62 -0.90 0.11 -1.26 -2.37 120.40 119.35 1igj s VAL 94 Ca 0.33 0.54 -0.16 0.00 -2.93 0.00 0.00 61.98 59.76 1igj s VAL 94 Cb -0.04 -3.61 -0.02 0.00 -1.53 0.00 0.00 36.38 31.18 1igj s VAL 94 CO 0.19 0.51 1.10 -2.16 -3.33 0.00 0.00 175.10 171.40 1igj s PRO 95 N -1.31 3.04 0.07 1.54 0.04 -1.26 -4.13 135.00 132.99 1igj s PRO 95 Ca 0.24 1.37 -0.36 0.00 0.04 0.00 0.00 61.00 62.29 1igj s PRO 95 Cb -0.15 -1.98 -0.19 0.00 0.04 0.00 0.00 34.50 32.22 1igj s PRO 95 CO 0.13 -1.06 0.90 -2.30 0.04 0.00 0.00 177.00 174.71 1igj n PRO 96 N -2.13 0.05 -4.13 0.56 -0.02 -1.00 -4.57 135.00 123.77 1igj n PRO 96 Ca 0.10 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.50 1igj n PRO 96 Cb 0.52 -1.36 -0.10 0.00 -0.02 0.00 0.00 33.50 32.54 1igj n PRO 96 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1igj s THR 97 N -0.33 0.52 0.29 3.45 -4.23 -0.91 -5.00 115.64 109.43 1igj s THR 97 Ca 0.82 -1.78 0.06 0.00 -1.18 0.00 0.00 61.69 59.61 1igj s THR 97 Cb -1.14 -1.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 1igj s THR 97 CO 0.56 -0.85 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.40 1igj s PHE 98 N -3.41 1.95 0.33 3.99 0.40 -1.26 -0.86 117.98 119.12 1igj s PHE 98 Ca 0.07 -0.75 0.07 0.00 -0.60 0.00 0.00 56.93 55.73 1igj s PHE 98 Cb 0.04 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.39 1igj s PHE 98 CO -0.06 0.23 0.33 0.20 0.70 0.00 0.00 175.22 176.62 1igj s GLY 99 N -3.45 1.72 0.52 4.36 0.00 0.15 -4.20 107.32 106.42 1igj s GLY 99 Ca 0.31 -1.60 0.35 0.00 0.00 0.00 0.00 44.72 43.78 1igj s GLY 99 CO 0.12 -1.52 1.78 -1.33 0.00 0.00 0.00 173.10 172.15 1igj h GLY 100 N 1.17 0.19 0.00 0.20 0.00 -1.84 -3.40 103.07 99.39 1igj h GLY 100 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1igj h GLY 100 CO 0.57 -0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.69 1igj n GLY 101 N -1.73 2.53 2.89 4.60 0.00 -1.26 -5.05 105.19 107.17 1igj n GLY 101 Ca 0.27 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.32 1igj n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1igj s THR 102 N -2.46 -0.07 -0.15 2.61 2.01 -0.37 -4.63 115.64 112.59 1igj s THR 102 Ca 0.00 0.21 -0.06 0.00 0.31 0.00 0.00 61.69 62.15 1igj s THR 102 Cb 0.00 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1igj s THR 102 CO 0.00 0.08 0.06 -0.75 -0.69 0.00 0.00 174.62 173.33 1igj s LYS 103 N 1.29 3.67 -0.20 4.92 2.20 0.83 -0.68 119.74 131.76 1igj s LYS 103 Ca -0.08 -0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 55.19 1igj s LYS 103 Cb -0.12 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1igj s LYS 103 CO -0.06 0.46 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.77 1igj s LEU 104 N -0.15 2.57 0.07 5.43 1.43 -0.93 -0.33 118.68 126.78 1igj s LEU 104 Ca 0.07 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1igj s LEU 104 Cb -0.12 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1igj s LEU 104 CO 0.01 0.00 -0.13 -1.83 0.23 0.00 0.00 176.35 174.63 1igj s GLU 105 N 1.32 2.12 0.27 1.70 -1.05 -0.90 -4.19 118.70 117.98 1igj s GLU 105 Ca 0.04 -0.99 -0.29 0.00 -0.15 0.00 0.00 54.97 53.58 1igj s GLU 105 Cb -0.14 -2.27 -0.09 0.00 -0.44 0.00 0.00 34.13 31.19 1igj s GLU 105 CO -0.06 0.53 0.97 0.42 0.95 0.00 0.00 175.26 178.06 1igj s ILE 106 N -1.09 4.01 0.58 1.83 1.01 -1.26 -0.88 121.20 125.39 1igj s ILE 106 Ca 0.18 1.91 -0.05 0.00 0.00 0.00 0.00 60.65 62.69 1igj s ILE 106 Cb -0.11 -4.17 0.01 0.00 0.01 0.00 0.00 42.46 38.20 1igj s ILE 106 CO 0.10 0.37 0.88 -0.75 0.00 0.00 0.00 174.94 175.54 1igj s LYS 107 N -1.50 2.94 0.04 2.79 2.20 0.13 -4.81 119.74 121.53 1igj s LYS 107 Ca 0.45 -0.04 -0.25 0.00 -0.36 0.00 0.00 55.97 55.77 1igj s LYS 107 Cb -0.25 -2.30 0.08 0.00 -1.51 0.00 0.00 37.83 33.86 1igj s LYS 107 CO 0.31 -0.66 1.13 2.89 -0.36 0.00 0.00 175.35 178.66 1igj n ARG 108 N -2.54 0.30 0.00 4.03 1.85 -1.26 -4.92 116.66 114.12 1igj n ARG 108 Ca 0.04 -0.92 0.00 0.00 -1.00 0.00 0.00 57.85 55.97 1igj n ARG 108 Cb 0.58 1.40 0.00 0.00 -1.05 0.00 0.00 32.46 33.39 1igj n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1igj n ALA 109 N -1.02 0.00 -1.96 2.89 0.00 -1.26 -5.04 120.51 114.12 1igj n ALA 109 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.05 1igj n ALA 109 Cb 0.55 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.17 1igj n ALA 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1igj s ASP 110 N -1.66 3.32 -0.29 0.00 1.01 -1.26 -4.77 116.67 113.03 1igj s ASP 110 Ca 0.00 -0.08 -0.16 0.00 0.71 0.00 0.00 52.55 53.02 1igj s ASP 110 Cb 0.00 0.01 0.11 0.00 1.01 0.00 0.00 42.92 44.05 1igj s ASP 110 CO 0.00 -2.57 0.79 0.00 0.21 0.00 0.00 175.17 173.60 1igj s ALA 111 N -3.68 -2.05 0.30 5.23 0.00 -1.04 -4.75 121.76 115.77 1igj s ALA 111 Ca 0.73 2.34 -0.24 0.00 0.00 0.00 0.00 51.96 54.79 1igj s ALA 111 Cb -0.03 -1.57 -0.09 0.00 0.00 0.00 0.00 23.12 21.43 1igj s ALA 111 CO 0.51 -0.43 0.88 0.00 0.00 0.00 0.00 175.76 176.72 1igj s ALA 112 N 1.66 3.27 -0.03 0.00 0.00 -1.26 -1.18 121.76 124.21 1igj s ALA 112 Ca -0.09 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 1igj s ALA 112 Cb -0.05 -3.07 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 1igj s ALA 112 CO -0.18 0.22 1.54 -1.25 0.00 0.00 0.00 175.76 176.09 1igj s PRO 113 N -2.07 4.22 -0.72 0.00 0.04 -1.26 -4.38 135.00 130.82 1igj s PRO 113 Ca 0.48 2.10 -0.27 0.00 0.04 0.00 0.00 61.00 63.36 1igj s PRO 113 Cb -0.18 -3.78 0.02 0.00 0.04 0.00 0.00 34.50 30.60 1igj s PRO 113 CO 0.22 -0.74 1.45 0.99 0.04 0.00 0.00 177.00 178.96 1igj s THR 114 N 3.28 3.63 0.51 1.26 2.01 0.92 -4.82 115.64 122.42 1igj s THR 114 Ca 0.69 0.30 -0.14 0.00 0.31 0.00 0.00 61.69 62.85 1igj s THR 114 Cb -0.33 -4.66 -0.07 0.00 0.01 0.00 0.00 72.50 67.45 1igj s THR 114 CO 0.28 -1.60 0.95 -0.69 -0.69 0.00 0.00 174.62 172.86 1igj s VAL 115 N 6.64 4.61 -0.08 3.82 1.01 -1.26 -1.47 120.40 133.68 1igj s VAL 115 Ca 0.44 1.04 -0.06 0.00 0.00 0.00 0.00 61.98 63.41 1igj s VAL 115 Cb -0.09 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.57 1igj s VAL 115 CO 0.15 -0.72 0.20 -0.44 0.00 0.00 0.00 175.10 174.29 1igj s SER 116 N -3.25 -0.20 -0.05 3.32 0.01 0.39 -4.95 113.70 108.97 1igj s SER 116 Ca 0.57 0.40 0.06 0.00 1.31 0.00 0.00 55.95 58.29 1igj s SER 116 Cb -0.10 0.36 -0.02 0.00 0.21 0.00 0.00 66.02 66.47 1igj s SER 116 CO 0.34 -0.10 -0.22 -0.51 0.41 0.00 0.00 173.24 173.16 1igj s ILE 117 N 0.54 2.32 -0.22 1.44 2.07 -1.26 -0.51 121.20 125.57 1igj s ILE 117 Ca -0.04 -0.99 0.02 0.00 -1.41 0.00 0.00 60.65 58.23 1igj s ILE 117 Cb -0.05 -1.85 0.05 0.00 0.13 0.00 0.00 42.46 40.73 1igj s ILE 117 CO -0.03 0.57 -0.11 -0.36 -1.91 0.00 0.00 174.94 173.10 1igj s PHE 118 N -0.37 2.74 0.62 3.50 0.08 0.12 -4.99 117.98 119.67 1igj s PHE 118 Ca 0.03 -1.85 -0.18 0.00 0.12 0.00 0.00 56.93 55.05 1igj s PHE 118 Cb -0.12 -1.77 -0.06 0.00 -0.57 0.00 0.00 43.02 40.51 1igj s PHE 118 CO 0.02 -0.80 0.76 -2.30 -0.10 0.00 0.00 175.22 172.80 1igj n PRO 119 N 4.59 0.65 -1.72 0.24 -0.02 -1.26 -2.42 135.00 135.06 1igj n PRO 119 Ca -0.15 0.26 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 1igj n PRO 119 Cb 0.45 -1.97 0.01 0.00 -0.02 0.00 0.00 33.50 31.97 1igj n PRO 119 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1igj n PRO 120 N -0.73 2.17 -2.22 0.52 -0.02 -1.25 -4.87 135.00 128.60 1igj n PRO 120 Ca 0.13 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 1igj n PRO 120 Cb 0.48 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 1igj n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1igj s SER 121 N -0.39 6.90 0.23 2.55 1.04 -1.26 -4.97 113.70 117.81 1igj s SER 121 Ca 0.58 2.44 -0.07 0.00 0.48 0.00 0.00 55.95 59.38 1igj s SER 121 Cb -0.51 -2.62 0.40 0.00 0.10 0.00 0.00 66.02 63.39 1igj s SER 121 CO 0.60 -0.50 1.67 0.28 0.98 0.00 0.00 173.24 176.27 1igj h SER 122 N 4.88 -0.14 -0.48 7.02 0.02 -1.98 -0.67 113.55 122.19 1igj h SER 122 Ca -0.46 0.16 0.14 0.00 -0.84 0.00 0.00 61.79 60.79 1igj h SER 122 Cb 1.22 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.98 1igj h SER 122 CO 0.74 -0.09 0.59 -0.33 -1.14 0.00 0.00 176.83 176.61 1igj h GLU 123 N 0.19 0.00 0.10 3.45 3.07 -1.99 -0.83 114.58 118.56 1igj h GLU 123 Ca 0.38 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.88 1igj h GLU 123 Cb 0.65 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.53 1igj h GLU 123 CO -0.54 0.00 -2.06 0.94 -1.40 0.00 0.00 179.01 175.95 1igj n GLN 124 N -3.52 0.73 -0.21 2.33 7.27 -0.27 -3.23 117.38 120.48 1igj n GLN 124 Ca 0.09 0.24 -0.06 0.00 0.07 0.00 0.00 57.00 57.35 1igj n GLN 124 Cb 0.78 -1.68 0.10 0.00 2.41 0.00 0.00 30.24 31.84 1igj n GLN 124 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1igj h LEU 125 N 0.06 0.97 -1.12 1.69 3.38 -1.02 0.27 115.31 119.54 1igj h LEU 125 Ca -0.44 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.33 1igj h LEU 125 Cb 2.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 42.47 1igj h LEU 125 CO 0.06 0.95 0.59 0.74 0.09 0.00 0.00 178.44 180.87 1igj h THR 126 N 0.97 1.23 -0.00 0.22 2.02 -1.50 -2.32 112.91 113.54 1igj h THR 126 Ca 0.20 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1igj h THR 126 Cb 0.37 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1igj h THR 126 CO 0.00 0.22 0.00 -1.20 0.37 0.00 0.00 175.52 174.92 1igj n SER 127 N -4.40 0.03 0.00 4.18 7.64 0.85 -4.86 113.62 117.06 1igj n SER 127 Ca 0.10 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1igj n SER 127 Cb 0.02 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1igj n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1igj n GLY 128 N 0.96 0.62 3.58 0.23 0.00 -0.63 -5.07 105.19 104.88 1igj n GLY 128 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1igj n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1igj s GLY 129 N -1.25 2.17 -0.19 -0.02 0.00 -0.62 -2.19 107.32 105.22 1igj s GLY 129 Ca 0.00 -2.06 -0.05 0.00 0.00 0.00 0.00 44.72 42.61 1igj s GLY 129 CO 0.00 -1.99 0.13 0.00 0.00 0.00 0.00 173.10 171.24 1igj s ALA 130 N -2.58 0.25 -0.06 3.20 0.00 -1.23 -2.90 121.76 118.44 1igj s ALA 130 Ca 0.34 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.15 1igj s ALA 130 Cb 0.02 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1igj s ALA 130 CO 0.18 -1.21 -0.24 -1.54 0.00 0.00 0.00 175.76 172.95 1igj s SER 131 N 2.19 2.97 -0.14 0.00 1.04 -1.26 -0.99 113.70 117.50 1igj s SER 131 Ca 0.04 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 55.92 1igj s SER 131 Cb -0.16 -0.88 -0.03 0.00 0.10 0.00 0.00 66.02 65.04 1igj s SER 131 CO -0.11 0.22 0.02 -0.69 0.98 0.00 0.00 173.24 173.66 1igj s VAL 132 N -0.08 4.41 -0.02 5.02 1.01 0.03 -3.81 120.40 126.96 1igj s VAL 132 Ca -0.05 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 61.82 1igj s VAL 132 Cb -0.14 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1igj s VAL 132 CO 0.04 0.52 -0.26 -0.69 0.00 0.00 0.00 175.10 174.71 1igj s VAL 133 N -0.07 2.05 -0.08 2.92 1.01 -1.02 -0.51 120.40 124.70 1igj s VAL 133 Ca 0.04 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 60.94 1igj s VAL 133 Cb -0.13 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1igj s VAL 133 CO 0.02 0.57 -0.19 0.00 0.00 0.00 0.00 175.10 175.50 1igj s PHE 135 N -0.14 2.99 -0.31 0.00 0.08 0.33 -2.00 117.98 118.94 1igj s PHE 135 Ca -0.03 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.72 1igj s PHE 135 Cb -0.14 -1.91 0.10 0.00 -0.57 0.00 0.00 43.02 40.50 1igj s PHE 135 CO 0.04 -0.00 0.10 -0.51 -0.10 0.00 0.00 175.22 174.74 1igj s LEU 136 N 0.19 2.27 0.22 -0.37 1.02 -0.27 -0.46 118.68 121.28 1igj s LEU 136 Ca -0.03 -1.64 0.08 0.00 0.02 0.00 0.00 54.13 52.56 1igj s LEU 136 Cb -0.14 -0.88 -0.04 0.00 0.02 0.00 0.00 46.19 45.16 1igj s LEU 136 CO 0.03 -0.41 0.07 0.20 0.02 0.00 0.00 176.35 176.26 1igj s ASN 137 N 1.61 5.00 -0.33 2.29 0.01 -0.54 -0.70 114.94 122.28 1igj s ASN 137 Ca 0.10 -0.39 -0.29 0.00 -0.71 0.00 0.00 52.86 51.57 1igj s ASN 137 Cb -0.17 -1.13 0.04 0.00 0.41 0.00 0.00 41.25 40.40 1igj s ASN 137 CO -0.25 0.03 0.49 0.59 -1.51 0.00 0.00 177.10 176.45 1igj n ASN 138 N -0.63 -4.66 -4.27 -1.22 4.13 -1.15 -0.06 115.26 107.40 1igj n ASN 138 Ca -0.08 -0.08 -0.15 0.00 1.68 0.00 0.00 54.58 55.95 1igj n ASN 138 Cb 0.57 -1.32 -0.10 0.00 -1.54 0.00 0.00 39.78 37.38 1igj n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1igj s PHE 139 N -1.16 1.31 -0.25 3.10 -0.71 -0.97 -4.38 117.98 114.92 1igj s PHE 139 Ca 0.28 -0.95 -0.15 0.00 -1.04 0.00 0.00 56.93 55.07 1igj s PHE 139 Cb -0.03 -0.74 0.07 0.00 -1.21 0.00 0.00 43.02 41.11 1igj s PHE 139 CO 0.64 -0.12 0.61 -0.47 -1.34 0.00 0.00 175.22 174.54 1igj s TYR 140 N -3.54 -0.90 0.00 3.49 5.04 -0.33 -1.53 117.35 119.58 1igj s TYR 140 Ca 0.24 1.87 0.00 0.00 -2.44 0.00 0.00 57.07 56.74 1igj s TYR 140 Cb 0.05 0.49 0.00 0.00 0.35 0.00 0.00 41.96 42.85 1igj s TYR 140 CO 0.05 -0.45 0.00 -0.35 -1.34 0.00 0.00 175.55 173.45 1igj n PRO 141 N 4.06 0.08 -0.09 4.97 -0.04 -1.26 -2.48 135.00 140.23 1igj n PRO 141 Ca -0.20 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1igj n PRO 141 Cb 0.58 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.07 1igj n PRO 141 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1igj n LYS 142 N -0.74 1.31 -3.93 0.54 4.81 -1.26 -4.82 118.16 114.07 1igj n LYS 142 Ca 0.00 -0.29 -0.35 0.00 -0.87 0.00 0.00 58.31 56.80 1igj n LYS 142 Cb 0.00 -1.46 -0.14 0.00 0.02 0.00 0.00 35.03 33.45 1igj n LYS 142 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1igj s ASP 143 N 0.14 4.63 0.06 3.14 1.11 -1.26 -5.06 116.67 119.42 1igj s ASP 143 Ca 0.05 -1.07 -0.06 0.00 0.18 0.00 0.00 52.55 51.65 1igj s ASP 143 Cb 0.04 -1.69 -0.01 0.00 1.07 0.00 0.00 42.92 42.33 1igj s ASP 143 CO 0.01 -0.20 0.12 -0.51 1.18 0.00 0.00 175.17 175.78 1igj s ILE 144 N 1.29 0.15 -0.09 0.77 2.07 -1.26 -4.61 121.20 119.51 1igj s ILE 144 Ca -0.03 -1.21 0.04 0.00 -1.41 0.00 0.00 60.65 58.04 1igj s ILE 144 Cb -0.18 -1.16 0.00 0.00 0.13 0.00 0.00 42.46 41.25 1igj s ILE 144 CO -0.02 -0.67 -0.22 0.21 -1.91 0.00 0.00 174.94 172.32 1igj s ASN 145 N -2.51 2.91 -0.15 4.50 2.47 0.17 -4.95 114.94 117.38 1igj s ASN 145 Ca 0.01 -0.52 0.01 0.00 0.42 0.00 0.00 52.86 52.77 1igj s ASN 145 Cb 0.03 -1.31 0.02 0.00 -1.45 0.00 0.00 41.25 38.53 1igj s ASN 145 CO -0.08 0.15 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.59 1igj s VAL 146 N 0.37 1.75 -0.02 -5.21 1.01 -1.25 -0.96 120.40 116.09 1igj s VAL 146 Ca -0.18 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.12 1igj s VAL 146 Cb -0.18 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1igj s VAL 146 CO 0.08 0.49 -0.25 -0.54 0.00 0.00 0.00 175.10 174.88 1igj s LYS 147 N 1.25 2.04 -0.09 2.72 1.02 -0.97 -4.94 119.74 120.77 1igj s LYS 147 Ca 0.01 -0.90 -0.03 0.00 0.02 0.00 0.00 55.97 55.07 1igj s LYS 147 Cb -0.14 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 1igj s LYS 147 CO -0.08 0.54 0.05 -1.58 -0.92 0.00 0.00 175.35 173.35 1igj s TRP 148 N -0.58 3.30 -0.24 3.18 0.52 -1.26 -1.07 118.94 122.80 1igj s TRP 148 Ca 0.09 0.30 -0.04 0.00 0.02 0.00 0.00 56.10 56.47 1igj s TRP 148 Cb -0.10 -1.83 0.08 0.00 -1.15 0.00 0.00 33.47 30.47 1igj s TRP 148 CO -0.01 0.56 0.10 0.15 0.02 0.00 0.00 176.95 177.77 1igj s LYS 149 N -1.00 0.25 -0.66 4.98 1.02 0.43 -0.16 119.74 124.60 1igj s LYS 149 Ca 0.15 -0.41 -0.17 0.00 0.02 0.00 0.00 55.97 55.56 1igj s LYS 149 Cb -0.12 -1.59 0.14 0.00 -0.52 0.00 0.00 37.83 35.75 1igj s LYS 149 CO 0.04 -0.85 0.68 0.42 -0.92 0.00 0.00 175.35 174.72 1igj s ILE 150 N 2.04 5.15 -0.56 2.17 1.01 -0.09 -0.92 121.20 130.00 1igj s ILE 150 Ca 0.05 -1.59 -0.03 0.00 0.00 0.00 0.00 60.65 59.09 1igj s ILE 150 Cb -0.16 -4.45 -0.03 0.00 0.01 0.00 0.00 42.46 37.82 1igj s ILE 150 CO -0.22 -1.04 0.49 0.47 0.00 0.00 0.00 174.94 174.64 1igj n ASP 151 N 5.37 -4.15 0.00 3.58 8.00 0.35 -4.09 116.55 125.62 1igj n ASP 151 Ca -0.03 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1igj n ASP 151 Cb 0.43 -2.97 0.00 0.00 -0.02 0.00 0.00 41.12 38.56 1igj n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1igj n GLY 152 N -1.32 1.44 3.76 0.44 0.00 -1.26 -4.92 105.19 103.33 1igj n GLY 152 Ca -0.05 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1igj n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1igj s SER 153 N 0.00 7.06 0.48 1.61 0.01 -1.26 -4.91 113.70 116.70 1igj s SER 153 Ca 0.00 2.41 -0.08 0.00 1.31 0.00 0.00 55.95 59.60 1igj s SER 153 Cb 0.00 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 1igj s SER 153 CO 0.00 -0.32 0.82 -1.83 0.41 0.00 0.00 173.24 172.32 1igj s GLU 154 N -1.36 3.63 -0.03 12.44 -1.05 -1.26 -0.91 118.70 130.16 1igj s GLU 154 Ca 0.47 0.38 -0.02 0.00 -0.15 0.00 0.00 54.97 55.65 1igj s GLU 154 Cb -0.35 -2.33 0.02 0.00 -0.44 0.00 0.00 34.13 31.02 1igj s GLU 154 CO 0.44 -0.21 0.07 1.03 0.95 0.00 0.00 175.26 177.54 1igj s ARG 155 N -4.52 0.04 -0.04 -4.83 0.52 0.78 -4.83 118.95 106.07 1igj s ARG 155 Ca 0.50 0.16 -0.02 0.00 -0.52 0.00 0.00 55.73 55.85 1igj s ARG 155 Cb -0.10 -0.07 -0.02 0.00 0.52 0.00 0.00 34.95 35.28 1igj s ARG 155 CO 0.42 -0.07 -0.05 0.94 0.02 0.00 0.00 175.30 176.55 1igj n GLN 156 N 3.52 0.09 -1.51 3.54 0.00 -1.26 -4.09 117.38 117.67 1igj n GLN 156 Ca -0.18 0.04 -0.47 0.00 -0.00 0.00 0.00 57.00 56.38 1igj n GLN 156 Cb 0.56 -0.71 -0.05 0.00 0.00 0.00 0.00 30.24 30.03 1igj n GLN 156 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1igj n ASN 157 N -3.10 2.60 0.00 1.69 4.05 -1.26 -1.21 115.26 118.03 1igj n ASN 157 Ca -0.08 0.31 0.00 0.00 0.45 0.00 0.00 54.58 55.26 1igj n ASN 157 Cb 0.56 -1.39 0.00 0.00 1.23 0.00 0.00 39.78 40.18 1igj n ASN 157 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1igj n GLY 158 N 6.23 1.56 3.86 8.20 0.00 -1.26 -4.94 105.19 118.84 1igj n GLY 158 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 1igj n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1igj s VAL 159 N -2.00 5.23 -0.08 1.61 1.01 -0.35 -1.57 120.40 124.25 1igj s VAL 159 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1igj s VAL 159 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1igj s VAL 159 CO 0.00 0.38 -0.16 -0.22 0.00 0.00 0.00 175.10 175.11 1igj s LEU 160 N -1.72 1.76 -0.00 3.92 2.96 0.05 -5.00 118.68 120.65 1igj s LEU 160 Ca 0.24 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1igj s LEU 160 Cb -0.12 -1.02 -0.00 0.00 0.50 0.00 0.00 46.19 45.54 1igj s LEU 160 CO 0.15 0.06 0.04 0.20 -1.32 0.00 0.00 176.35 175.47 1igj s ASN 161 N 0.68 0.06 0.07 3.68 0.01 -1.26 -0.83 114.94 117.36 1igj s ASN 161 Ca -0.13 -0.16 -0.07 0.00 -0.71 0.00 0.00 52.86 51.79 1igj s ASN 161 Cb -0.16 0.12 -0.01 0.00 0.41 0.00 0.00 41.25 41.61 1igj s ASN 161 CO 0.03 -0.17 0.13 -0.55 -1.51 0.00 0.00 177.10 175.03 1igj s SER 162 N -0.73 0.21 0.00 -1.22 0.15 -1.02 -5.00 113.70 106.09 1igj s SER 162 Ca -0.08 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1igj s SER 162 Cb -0.05 0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1igj s SER 162 CO -0.00 -0.67 -0.01 0.26 1.20 0.00 0.00 173.24 174.03 1igj s TRP 163 N -3.69 0.05 0.52 3.44 0.51 -1.26 -2.72 118.94 115.78 1igj s TRP 163 Ca 0.04 -0.09 -0.12 0.00 -2.12 0.00 0.00 56.10 53.81 1igj s TRP 163 Cb 0.05 -0.03 -0.06 0.00 -0.81 0.00 0.00 33.47 32.62 1igj s TRP 163 CO -0.10 -0.03 0.92 0.99 -0.51 0.00 0.00 176.95 178.22 1igj s THR 164 N -0.25 4.70 0.00 2.01 2.01 -0.72 -5.01 115.64 118.38 1igj s THR 164 Ca -0.03 0.83 0.00 0.00 0.31 0.00 0.00 61.69 62.80 1igj s THR 164 Cb -0.02 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1igj s THR 164 CO -0.00 -0.82 0.00 0.47 -0.69 0.00 0.00 174.62 173.58 1igj n ASP 165 N -1.98 0.00 -4.76 3.53 8.00 -1.26 -4.56 116.55 115.52 1igj n ASP 165 Ca 0.05 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.15 1igj n ASP 165 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.59 1igj n ASP 165 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1igj s GLN 166 N 2.64 4.38 -0.11 -1.24 -0.21 -1.26 -4.32 119.66 119.54 1igj s GLN 166 Ca 0.00 0.87 -0.28 0.00 0.02 0.00 0.00 55.36 55.97 1igj s GLN 166 Cb 0.00 -3.33 -0.02 0.00 1.00 0.00 0.00 33.01 30.66 1igj s GLN 166 CO 0.00 0.39 0.93 0.34 -2.12 0.00 0.00 175.29 174.83 1igj s ASP 167 N -0.33 7.16 -0.41 5.90 -1.08 0.12 -4.90 116.67 123.12 1igj s ASP 167 Ca 0.33 1.42 -0.06 0.00 -0.52 0.00 0.00 52.55 53.72 1igj s ASP 167 Cb -0.19 -2.52 -0.19 0.00 -1.46 0.00 0.00 42.92 38.56 1igj s ASP 167 CO 0.20 -0.38 3.08 -1.54 0.52 0.00 0.00 175.17 177.05 1igj n SER 168 N 4.81 5.47 0.17 -0.34 3.41 -1.26 -0.36 113.62 125.52 1igj n SER 168 Ca 0.06 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 1igj n SER 168 Cb 0.49 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1igj n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1igj n LYS 169 N 2.91 0.00 -2.59 4.33 4.76 -1.26 -4.96 118.16 121.35 1igj n LYS 169 Ca 0.47 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.91 1igj n LYS 169 Cb 0.63 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.86 1igj n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1igj n ASP 170 N -3.48 1.48 -2.35 4.39 5.75 -1.13 -5.04 116.55 116.17 1igj n ASP 170 Ca 0.00 -2.02 -0.05 0.00 -0.01 0.00 0.00 54.79 52.71 1igj n ASP 170 Cb 0.00 -0.45 -0.01 0.00 -1.03 0.00 0.00 41.12 39.63 1igj n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1igj n SER 171 N -0.40 -0.04 -4.95 -1.12 7.64 0.51 -4.86 113.62 110.40 1igj n SER 171 Ca 0.07 -0.16 -0.21 0.00 1.01 0.00 0.00 58.87 59.58 1igj n SER 171 Cb 0.86 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1igj n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1igj s THR 172 N -2.32 2.40 0.18 0.44 -4.23 -1.26 -4.69 115.64 106.16 1igj s THR 172 Ca 0.05 -1.23 0.09 0.00 -1.18 0.00 0.00 61.69 59.42 1igj s THR 172 Cb -0.03 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 1igj s THR 172 CO 0.13 0.00 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.80 1igj s TYR 173 N -2.56 2.62 0.11 3.99 2.02 -0.58 -0.71 117.35 122.24 1igj s TYR 173 Ca 0.50 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.98 1igj s TYR 173 Cb -0.05 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 1igj s TYR 173 CO 0.30 0.50 -0.02 -1.12 -1.57 0.00 0.00 175.55 173.64 1igj s SER 174 N -2.78 0.87 0.00 2.29 0.01 -1.26 -2.29 113.70 110.54 1igj s SER 174 Ca 0.24 -1.07 -0.11 0.00 1.31 0.00 0.00 55.95 56.32 1igj s SER 174 Cb -0.09 0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.31 1igj s SER 174 CO 0.15 -0.56 0.24 -0.32 0.41 0.00 0.00 173.24 173.15 1igj s MET 175 N -3.91 0.62 0.06 12.44 1.75 0.12 -1.76 119.30 128.63 1igj s MET 175 Ca 0.15 -0.35 0.09 0.00 -1.25 0.00 0.00 55.69 54.33 1igj s MET 175 Cb 0.06 0.27 -0.03 0.00 2.84 0.00 0.00 34.83 37.97 1igj s MET 175 CO -0.03 -0.17 -0.25 -1.54 -0.65 0.00 0.00 175.02 172.38 1igj s SER 176 N -1.51 2.99 -0.10 1.11 1.04 -1.10 -1.11 113.70 115.02 1igj s SER 176 Ca -0.12 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.70 1igj s SER 176 Cb -0.05 -0.25 0.03 0.00 0.10 0.00 0.00 66.02 65.85 1igj s SER 176 CO 0.02 0.22 -0.01 -0.55 0.98 0.00 0.00 173.24 173.90 1igj s SER 177 N -1.34 1.88 -0.25 7.02 0.15 -0.84 -2.44 113.70 117.88 1igj s SER 177 Ca 0.11 -0.22 -0.03 0.00 0.70 0.00 0.00 55.95 56.50 1igj s SER 177 Cb -0.10 -0.55 0.01 0.00 -1.71 0.00 0.00 66.02 63.68 1igj s SER 177 CO 0.03 -0.19 -0.03 -0.89 1.20 0.00 0.00 173.24 173.35 1igj s THR 178 N 1.90 3.17 -0.36 6.45 2.01 -0.01 -0.69 115.64 128.10 1igj s THR 178 Ca 0.04 -0.84 -0.20 0.00 0.31 0.00 0.00 61.69 61.00 1igj s THR 178 Cb -0.13 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.81 1igj s THR 178 CO -0.06 0.24 0.63 -0.22 -0.69 0.00 0.00 174.62 174.51 1igj s LEU 179 N 1.39 4.28 -0.40 4.42 2.96 0.33 -0.77 118.68 130.89 1igj s LEU 179 Ca 0.02 0.10 -0.15 0.00 -0.22 0.00 0.00 54.13 53.88 1igj s LEU 179 Cb -0.16 -2.76 0.02 0.00 0.50 0.00 0.00 46.19 43.78 1igj s LEU 179 CO -0.03 -0.60 0.29 -0.89 -1.32 0.00 0.00 176.35 173.80 1igj s THR 180 N 2.69 5.24 0.00 3.68 2.01 -0.61 -0.79 115.64 127.86 1igj s THR 180 Ca 0.24 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1igj s THR 180 Cb -0.15 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1igj s THR 180 CO 0.15 -0.28 0.00 0.18 -0.69 0.00 0.00 174.62 173.98 1igj n LEU 181 N 5.15 0.00 -4.56 4.42 4.77 -0.16 -4.78 117.00 121.84 1igj n LEU 181 Ca -0.11 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.62 1igj n LEU 181 Cb 0.47 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1igj n LEU 181 CO 0.41 -0.40 -0.41 0.42 -1.33 0.00 0.00 177.39 176.08 1igj s THR 182 N 0.62 3.09 0.28 -5.08 -4.23 -1.26 -3.57 115.64 105.48 1igj s THR 182 Ca 0.00 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.65 1igj s THR 182 Cb 0.00 -2.58 0.27 0.00 1.34 0.00 0.00 72.50 71.53 1igj s THR 182 CO 0.00 -0.23 1.76 0.50 -0.54 0.00 0.00 174.62 176.11 1igj h LYS 183 N 2.53 0.63 0.00 3.99 3.11 -1.66 0.02 116.57 125.18 1igj h LYS 183 Ca -0.45 -0.04 -0.10 0.00 -2.81 0.00 0.00 60.65 57.26 1igj h LYS 183 Cb 1.23 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.30 1igj h LYS 183 CO 0.56 0.41 -0.46 -0.44 -2.81 0.00 0.00 179.45 176.72 1igj h ASP 184 N 0.64 0.00 -0.04 4.20 5.19 -1.97 -0.70 116.42 123.74 1igj h ASP 184 Ca 0.51 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.69 1igj h ASP 184 Cb 0.77 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.30 1igj h ASP 184 CO -0.39 0.46 -0.84 -0.08 -3.12 0.00 0.00 179.24 175.27 1igj h GLU 185 N 0.00 0.71 0.10 3.56 4.57 -1.43 -1.13 114.58 120.96 1igj h GLU 185 Ca -0.00 -0.62 -0.00 0.00 -1.18 0.00 0.00 59.36 57.55 1igj h GLU 185 Cb 0.85 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1igj h GLU 185 CO 0.06 1.23 -0.05 -0.92 -1.18 0.00 0.00 179.01 178.15 1igj h TYR 186 N 0.46 -0.12 0.00 0.92 3.20 -1.18 -2.08 116.97 118.17 1igj h TYR 186 Ca -0.07 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 1igj h TYR 186 Cb 1.47 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.77 1igj h TYR 186 CO 0.08 -0.07 -0.21 0.93 -1.64 0.00 0.00 178.16 177.25 1igj h GLU 187 N -0.14 0.00 0.00 1.82 5.08 -1.14 -2.30 114.58 117.90 1igj h GLU 187 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1igj h GLU 187 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1igj h GLU 187 CO 0.02 0.21 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.09 1igj h ARG 188 N 0.00 0.00 -4.94 2.33 2.43 -0.63 -3.46 114.38 110.10 1igj h ARG 188 Ca -0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 1igj h ARG 188 Cb 0.45 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.86 1igj h ARG 188 CO 0.03 0.06 -0.69 -1.01 -1.51 0.00 0.00 179.97 176.85 1igj s HIS 189 N -3.63 1.22 0.03 2.20 3.76 -0.84 -5.06 115.29 112.98 1igj s HIS 189 Ca 0.01 -0.86 -0.04 0.00 -0.15 0.00 0.00 55.06 54.02 1igj s HIS 189 Cb 0.09 -0.66 -0.01 0.00 1.11 0.00 0.00 32.58 33.10 1igj s HIS 189 CO 0.58 -0.03 -0.09 -1.71 -0.85 0.00 0.00 174.74 172.64 1igj n ASN 190 N -0.21 1.30 -4.78 1.40 2.85 -1.26 -4.80 115.26 109.76 1igj n ASN 190 Ca -0.09 0.18 -0.38 0.00 -0.11 0.00 0.00 54.58 54.18 1igj n ASN 190 Cb 0.62 -0.43 -0.06 0.00 1.24 0.00 0.00 39.78 41.14 1igj n ASN 190 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1igj s SER 191 N -5.95 6.80 -0.22 1.20 1.04 -1.26 -0.86 113.70 114.44 1igj s SER 191 Ca -0.07 0.95 -0.02 0.00 0.48 0.00 0.00 55.95 57.29 1igj s SER 191 Cb 0.01 -2.29 0.01 0.00 0.10 0.00 0.00 66.02 63.86 1igj s SER 191 CO 0.11 0.17 -0.08 -0.31 0.98 0.00 0.00 173.24 174.10 1igj s TYR 192 N -0.32 2.97 -0.05 5.02 2.02 0.52 -0.49 117.35 127.02 1igj s TYR 192 Ca 0.26 -1.37 0.02 0.00 -0.37 0.00 0.00 57.07 55.61 1igj s TYR 192 Cb -0.16 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 1igj s TYR 192 CO 0.13 -0.69 -0.10 0.99 -1.57 0.00 0.00 175.55 174.31 1igj s THR 193 N 1.37 3.41 -0.15 -0.71 2.01 -0.10 -1.65 115.64 119.82 1igj s THR 193 Ca 0.03 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1igj s THR 193 Cb -0.15 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.01 1igj s THR 193 CO -0.06 0.58 -0.11 0.00 -0.69 0.00 0.00 174.62 174.34 1igj s GLU 195 N 1.54 2.29 -0.41 0.00 2.02 -0.23 -0.33 118.70 123.59 1igj s GLU 195 Ca 0.04 -0.57 -0.14 0.00 0.02 0.00 0.00 54.97 54.32 1igj s GLU 195 Cb -0.14 -2.03 0.03 0.00 0.10 0.00 0.00 34.13 32.10 1igj s GLU 195 CO -0.09 -0.15 0.28 0.00 0.02 0.00 0.00 175.26 175.31 1igj s ALA 196 N 1.24 3.42 -0.23 5.21 0.00 0.17 -2.30 121.76 129.27 1igj s ALA 196 Ca -0.01 -1.78 -0.14 0.00 0.00 0.00 0.00 51.96 50.04 1igj s ALA 196 Cb -0.14 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1igj s ALA 196 CO -0.06 -1.47 0.33 0.99 0.00 0.00 0.00 175.76 175.54 1igj s THR 197 N 1.63 5.23 -0.10 0.00 2.01 -0.13 -1.15 115.64 123.12 1igj s THR 197 Ca 0.04 0.53 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 1igj s THR 197 Cb -0.20 -3.66 0.11 0.00 0.01 0.00 0.00 72.50 68.77 1igj s THR 197 CO 0.08 0.24 0.93 -2.28 -0.69 0.00 0.00 174.62 172.90 1igj s HIS 198 N 1.49 -0.40 -0.47 4.92 5.04 -1.26 -0.66 115.29 123.95 1igj s HIS 198 Ca 0.15 0.57 -0.27 0.00 -1.54 0.00 0.00 55.06 53.97 1igj s HIS 198 Cb -0.15 0.47 -0.03 0.00 0.04 0.00 0.00 32.58 32.91 1igj s HIS 198 CO 0.08 -0.43 2.00 -1.59 -2.34 0.00 0.00 174.74 172.46 1igj s LYS 199 N -1.70 2.74 0.00 2.88 -2.85 -1.26 -3.21 119.74 116.34 1igj s LYS 199 Ca -0.01 1.14 0.00 0.00 -1.00 0.00 0.00 55.97 56.10 1igj s LYS 199 Cb -0.01 -4.38 0.00 0.00 -2.06 0.00 0.00 37.83 31.38 1igj s LYS 199 CO -0.00 -2.57 0.00 0.25 0.10 0.00 0.00 175.35 173.12 1igj n THR 200 N 7.50 0.00 -3.76 3.79 -2.24 -1.26 -4.81 114.28 113.50 1igj n THR 200 Ca 0.26 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1igj n THR 200 Cb 0.51 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.63 1igj n THR 200 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1igj s SER 201 N 0.00 -0.34 -0.11 3.42 0.01 -1.20 -5.01 113.70 110.48 1igj s SER 201 Ca 0.00 0.64 -0.16 0.00 1.31 0.00 0.00 55.95 57.74 1igj s SER 201 Cb 0.00 0.67 -0.27 0.00 0.21 0.00 0.00 66.02 66.63 1igj s SER 201 CO 0.00 -0.14 0.56 0.74 0.41 0.00 0.00 173.24 174.81 1igj h THR 202 N 4.57 1.06 -2.86 1.44 2.02 -2.00 -3.42 112.91 113.72 1igj h THR 202 Ca -0.27 -2.40 -0.56 0.00 0.77 0.00 0.00 66.41 63.96 1igj h THR 202 Cb 1.19 2.73 -0.03 0.00 -1.74 0.00 0.00 68.15 70.30 1igj h THR 202 CO 0.30 0.69 0.92 -0.94 0.37 0.00 0.00 175.52 176.86 1igj s SER 203 N -7.00 6.88 0.35 4.18 1.04 -1.26 -5.01 113.70 112.88 1igj s SER 203 Ca -0.20 1.88 -0.25 0.00 0.48 0.00 0.00 55.95 57.87 1igj s SER 203 Cb 0.04 -2.54 -0.14 0.00 0.10 0.00 0.00 66.02 63.48 1igj s SER 203 CO 0.76 -0.78 0.64 -2.65 0.98 0.00 0.00 173.24 172.19 1igj n PRO 204 N 6.44 0.63 -2.85 4.02 -0.02 -1.26 -4.97 135.00 136.98 1igj n PRO 204 Ca 0.14 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1igj n PRO 204 Cb 0.44 -1.47 -0.04 0.00 -0.02 0.00 0.00 33.50 32.41 1igj n PRO 204 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1igj s ILE 205 N -1.29 4.90 0.19 4.25 1.01 -0.30 -4.93 121.20 125.03 1igj s ILE 205 Ca 0.62 1.75 0.11 0.00 0.00 0.00 0.00 60.65 63.13 1igj s ILE 205 Cb -0.69 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 37.55 1igj s ILE 205 CO 0.58 0.10 -0.23 -0.69 0.00 0.00 0.00 174.94 174.71 1igj s VAL 206 N 1.57 2.42 -0.24 2.92 1.01 -1.26 0.46 120.40 127.27 1igj s VAL 206 Ca 0.43 -2.00 -0.09 0.00 0.00 0.00 0.00 61.98 60.32 1igj s VAL 206 Cb -0.18 -2.16 0.10 0.00 0.00 0.00 0.00 36.38 34.14 1igj s VAL 206 CO 0.18 -0.11 0.53 -0.75 0.00 0.00 0.00 175.10 174.95 1igj s LYS 207 N -2.67 0.46 0.23 2.72 2.47 0.55 -4.96 119.74 118.54 1igj s LYS 207 Ca 0.21 1.21 0.00 0.00 -1.56 0.00 0.00 55.97 55.83 1igj s LYS 207 Cb -0.08 0.52 -0.04 0.00 -1.46 0.00 0.00 37.83 36.77 1igj s LYS 207 CO 0.10 -0.22 0.13 -1.12 0.16 0.00 0.00 175.35 174.40 1igj s SER 208 N 2.59 0.64 0.23 1.43 0.01 -1.26 -0.42 113.70 116.92 1igj s SER 208 Ca -0.04 -1.41 -0.18 0.00 1.31 0.00 0.00 55.95 55.62 1igj s SER 208 Cb -0.11 0.31 0.02 0.00 0.21 0.00 0.00 66.02 66.45 1igj s SER 208 CO -0.16 -0.81 0.58 0.72 0.41 0.00 0.00 173.24 173.98 1igj s PHE 209 N -3.96 -0.08 0.09 2.43 -0.71 -0.66 -4.99 117.98 110.09 1igj s PHE 209 Ca 0.38 -0.29 0.09 0.00 -1.04 0.00 0.00 56.93 56.08 1igj s PHE 209 Cb 0.07 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 1igj s PHE 209 CO 0.13 -1.02 -0.22 -0.80 -1.34 0.00 0.00 175.22 171.97 1igj s ASN 210 N -2.90 3.60 0.00 1.98 -0.87 -1.26 -0.35 114.94 115.14 1igj s ASN 210 Ca 0.12 -0.59 0.28 0.00 -1.57 0.00 0.00 52.86 51.10 1igj s ASN 210 Cb -0.02 -0.43 1.04 0.00 -0.02 0.00 0.00 41.25 41.81 1igj s ASN 210 CO 0.02 0.21 1.74 -2.11 -2.57 0.00 0.00 177.10 174.38