#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 5.09 -0.16 5.18 1.01 -1.26 -5.02 120.40 125.24 1igj s VAL 2 Ca 0.00 0.83 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 1igj s VAL 2 Cb 0.00 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1igj s VAL 2 CO 0.00 0.11 0.39 -0.69 0.00 0.00 0.00 175.10 174.91 1igj s VAL 3 N 2.21 5.23 0.16 2.92 1.01 -1.26 -4.71 120.40 125.96 1igj s VAL 3 Ca 0.20 0.75 -0.04 0.00 0.00 0.00 0.00 61.98 62.89 1igj s VAL 3 Cb -0.16 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1igj s VAL 3 CO 0.09 0.32 0.39 -0.04 0.00 0.00 0.00 175.10 175.86 1igj s MET 4 N 0.80 3.59 -0.08 2.72 -1.94 -1.26 -1.18 119.30 121.95 1igj s MET 4 Ca 0.21 -0.14 -0.01 0.00 -1.71 0.00 0.00 55.69 54.03 1igj s MET 4 Cb -0.14 -2.83 0.03 0.00 2.01 0.00 0.00 34.83 33.89 1igj s MET 4 CO 0.07 0.44 -0.01 0.99 -0.01 0.00 0.00 175.02 176.50 1igj s THR 5 N -1.73 0.47 0.34 2.05 2.01 0.83 -4.54 115.64 115.07 1igj s THR 5 Ca 0.41 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1igj s THR 5 Cb -0.12 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 1igj s THR 5 CO 0.26 0.26 0.49 -1.10 -0.69 0.00 0.00 174.62 173.84 1igj s GLN 6 N 1.93 3.25 -0.24 4.92 -0.21 -1.26 -1.96 119.66 126.09 1igj s GLN 6 Ca 0.05 -0.73 -0.16 0.00 0.02 0.00 0.00 55.36 54.53 1igj s GLN 6 Cb -0.12 -2.76 0.07 0.00 1.00 0.00 0.00 33.01 31.19 1igj s GLN 6 CO -0.06 0.10 0.60 0.99 -2.12 0.00 0.00 175.29 174.81 1igj s THR 7 N -2.22 -0.01 0.57 -0.19 2.01 -1.20 -4.84 115.64 109.75 1igj s THR 7 Ca 0.42 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.42 1igj s THR 7 Cb -0.09 -0.87 0.12 0.00 0.01 0.00 0.00 72.50 71.66 1igj s THR 7 CO 0.33 0.01 0.77 -0.81 -0.69 0.00 0.00 174.62 174.23 1igj n PRO 8 N 3.75 -0.06 0.22 4.92 -0.04 -1.26 -1.93 135.00 140.59 1igj n PRO 8 Ca -0.18 -1.95 0.11 0.00 -0.04 0.00 0.00 63.50 61.44 1igj n PRO 8 Cb 0.57 -0.56 0.25 0.00 -0.04 0.00 0.00 33.50 33.72 1igj n PRO 8 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1igj h LEU 9 N 0.00 0.00 -7.70 1.53 3.38 -1.89 -3.41 115.31 107.22 1igj h LEU 9 Ca -0.25 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.52 1igj h LEU 9 Cb 0.90 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.40 1igj h LEU 9 CO 0.26 0.09 -0.61 -0.55 0.09 0.00 0.00 178.44 177.72 1igj s SER 10 N -6.17 -0.03 -0.11 -0.43 0.15 -1.26 -1.65 113.70 104.20 1igj s SER 10 Ca 0.05 0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.73 1igj s SER 10 Cb 0.06 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.58 1igj s SER 10 CO 0.66 -0.12 -0.06 -0.22 1.20 0.00 0.00 173.24 174.70 1igj s LEU 11 N -0.37 1.13 -0.09 3.45 2.96 0.11 -4.90 118.68 120.97 1igj s LEU 11 Ca -0.04 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.37 1igj s LEU 11 Cb -0.03 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 1igj s LEU 11 CO 0.00 -0.14 0.51 -2.16 -1.32 0.00 0.00 176.35 173.24 1igj s PRO 12 N 1.75 4.32 -0.01 0.98 0.04 -1.25 -0.26 135.00 140.57 1igj s PRO 12 Ca 0.04 0.53 0.01 0.00 0.04 0.00 0.00 61.00 61.62 1igj s PRO 12 Cb -0.13 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1igj s PRO 12 CO -0.08 0.21 -0.02 0.14 0.04 0.00 0.00 177.00 177.30 1igj s VAL 13 N 0.41 0.21 0.59 -0.36 -7.23 0.23 -4.70 120.40 109.56 1igj s VAL 13 Ca 0.28 -0.08 -0.13 0.00 -1.81 0.00 0.00 61.98 60.23 1igj s VAL 13 Cb -0.16 -0.20 -0.05 0.00 0.56 0.00 0.00 36.38 36.53 1igj s VAL 13 CO 0.12 0.08 1.02 -0.44 -0.31 0.00 0.00 175.10 175.57 1igj s SER 14 N 0.14 6.17 0.30 4.85 0.01 -1.26 -2.21 113.70 121.70 1igj s SER 14 Ca -0.01 1.55 -0.30 0.00 1.31 0.00 0.00 55.95 58.50 1igj s SER 14 Cb -0.03 -2.49 -0.12 0.00 0.21 0.00 0.00 66.02 63.58 1igj s SER 14 CO -0.00 -0.90 1.59 0.18 0.41 0.00 0.00 173.24 174.51 1igj n LEU 15 N -2.33 4.41 0.00 2.44 4.77 -1.26 -3.03 117.00 122.00 1igj n LEU 15 Ca 0.07 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 1igj n LEU 15 Cb 0.54 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1igj n LEU 15 CO 0.52 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1igj n GLY 16 N 1.98 1.47 3.77 -0.72 0.00 0.74 -4.95 105.19 107.49 1igj n GLY 16 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1igj n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1igj s ASP 17 N -1.72 3.60 0.30 1.61 1.11 -1.17 -4.34 116.67 116.06 1igj s ASP 17 Ca 0.00 1.11 -0.07 0.00 0.18 0.00 0.00 52.55 53.76 1igj s ASP 17 Cb 0.00 -1.74 -0.06 0.00 1.07 0.00 0.00 42.92 42.19 1igj s ASP 17 CO 0.00 -2.51 0.60 -1.10 1.18 0.00 0.00 175.17 173.34 1igj s GLN 18 N -5.18 3.71 0.03 8.23 -1.52 -1.22 0.39 119.66 124.10 1igj s GLN 18 Ca 0.63 0.19 0.03 0.00 -1.95 0.00 0.00 55.36 54.26 1igj s GLN 18 Cb -0.15 -2.58 -0.02 0.00 -0.22 0.00 0.00 33.01 30.03 1igj s GLN 18 CO 0.54 0.18 -0.10 0.00 -0.25 0.00 0.00 175.29 175.66 1igj s ALA 19 N -2.08 0.84 -0.17 6.09 0.00 -0.76 -4.91 121.76 120.77 1igj s ALA 19 Ca 0.47 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1igj s ALA 19 Cb -0.11 -0.12 0.08 0.00 0.00 0.00 0.00 23.12 22.98 1igj s ALA 19 CO 0.28 0.14 0.27 -1.12 0.00 0.00 0.00 175.76 175.32 1igj s SER 20 N -0.93 0.68 -0.19 0.00 0.01 -1.26 -1.67 113.70 110.34 1igj s SER 20 Ca -0.01 0.27 -0.12 0.00 1.31 0.00 0.00 55.95 57.40 1igj s SER 20 Cb -0.07 0.65 -0.05 0.00 0.21 0.00 0.00 66.02 66.77 1igj s SER 20 CO 0.01 -0.28 0.22 -0.63 0.41 0.00 0.00 173.24 172.97 1igj s ILE 21 N 2.41 5.34 0.67 1.44 1.01 -0.89 -4.89 121.20 126.29 1igj s ILE 21 Ca 0.05 0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 1igj s ILE 21 Cb -0.14 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.78 1igj s ILE 21 CO -0.11 0.39 1.06 -0.44 0.00 0.00 0.00 174.94 175.84 1igj s SER 22 N 0.57 5.58 -0.29 3.58 0.01 -0.81 -1.27 113.70 121.06 1igj s SER 22 Ca 0.12 1.10 -0.14 0.00 1.31 0.00 0.00 55.95 58.34 1igj s SER 22 Cb -0.12 -1.97 0.10 0.00 0.21 0.00 0.00 66.02 64.24 1igj s SER 22 CO 0.02 -1.23 0.68 0.00 0.41 0.00 0.00 173.24 173.12 1igj s ARG 24 N 2.07 0.15 0.33 0.00 3.52 -0.83 -0.14 118.95 124.06 1igj s ARG 24 Ca -0.09 -0.27 0.10 0.00 -0.13 0.00 0.00 55.73 55.34 1igj s ARG 24 Cb -0.07 0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.29 1igj s ARG 24 CO -0.20 -0.02 -0.06 -1.54 -0.81 0.00 0.00 175.30 172.67 1igj s SER 25 N -0.64 3.92 0.27 -2.12 1.04 -0.60 -0.12 113.70 115.45 1igj s SER 25 Ca -0.07 -1.07 0.05 0.00 0.48 0.00 0.00 55.95 55.34 1igj s SER 25 Cb -0.04 -0.44 0.36 0.00 0.10 0.00 0.00 66.02 66.00 1igj s SER 25 CO -0.00 -0.18 1.64 0.28 0.98 0.00 0.00 173.24 175.96 1igj h SER 26 N 1.96 0.30 -5.20 7.02 0.02 -1.49 -3.46 113.55 112.70 1igj h SER 26 Ca -0.42 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.31 1igj h SER 26 Cb 1.25 -0.08 -0.12 0.00 0.14 0.00 0.00 62.40 63.59 1igj h SER 26 CO 0.67 0.73 -0.23 0.00 -1.14 0.00 0.00 176.83 176.86 1igj s GLN 27 N -4.03 1.17 0.16 3.45 -2.07 -1.26 -5.04 119.66 112.04 1igj s GLN 27 Ca -0.05 -1.05 -0.32 0.00 -1.82 0.00 0.00 55.36 52.12 1igj s GLN 27 Cb 0.13 0.41 -0.17 0.00 -1.09 0.00 0.00 33.01 32.29 1igj s GLN 27 CO 0.79 -0.44 0.97 0.45 -1.32 0.00 0.00 175.29 175.74 1igj n SER 27 N -0.23 0.45 -1.54 12.60 2.88 -1.26 -4.70 113.62 121.83 1igj n SER 27 Ca -0.09 1.15 -0.03 0.00 -1.33 0.00 0.00 58.87 58.56 1igj n SER 27 Cb 0.63 -1.10 0.26 0.00 -0.75 0.00 0.00 64.21 63.24 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 1.84 5.12 -4.46 2.46 4.77 -0.15 -4.90 117.00 121.69 1igj n LEU 27 Ca 0.16 -3.34 -0.43 0.00 -0.03 0.00 0.00 56.01 52.37 1igj n LEU 27 Cb 0.22 -0.68 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 1igj n LEU 27 CO 0.60 0.90 0.76 -0.69 -1.33 0.00 0.00 177.39 177.62 1igj s VAL 27 N -3.04 4.32 0.57 4.08 1.01 -1.26 -3.22 120.40 122.86 1igj s VAL 27 Ca 0.50 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.00 1igj s VAL 27 Cb 0.41 -4.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1igj s VAL 27 CO 0.09 -1.43 1.13 -2.28 0.00 0.00 0.00 175.10 172.61 1igj s HIS 27 N 4.07 2.64 0.43 5.22 2.46 0.13 -4.94 115.29 125.31 1igj s HIS 27 Ca 0.23 1.54 0.24 0.00 0.47 0.00 0.00 55.06 57.55 1igj s HIS 27 Cb -0.16 -3.27 1.25 0.00 -0.13 0.00 0.00 32.58 30.27 1igj s HIS 27 CO 0.11 -1.63 1.75 0.66 -2.47 0.00 0.00 174.74 173.16 1igj h SER 27 N 0.90 0.32 0.25 9.88 4.64 -1.95 0.28 113.55 127.88 1igj h SER 27 Ca -0.49 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1igj h SER 27 Cb 1.26 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1igj h SER 27 CO 0.56 0.02 0.00 -0.46 -0.87 0.00 0.00 176.83 176.08 1igj n ASN 28 N -4.54 0.00 0.00 4.97 6.94 -1.26 -4.86 115.26 116.50 1igj n ASN 28 Ca 0.28 -0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1igj n ASN 28 Cb 1.05 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 38.29 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 0.49 3.16 3.89 4.83 0.00 0.98 -5.09 105.19 113.46 1igj n GLY 29 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.26 5.72 -0.42 1.61 0.01 -1.25 -4.66 114.94 115.69 1igj s ASN 30 Ca 0.00 1.04 -0.00 0.00 -0.71 0.00 0.00 52.86 53.18 1igj s ASN 30 Cb 0.00 -2.00 0.12 0.00 0.41 0.00 0.00 41.25 39.78 1igj s ASN 30 CO 0.00 -1.09 0.19 -0.89 -1.51 0.00 0.00 177.10 173.81 1igj s THR 31 N -3.15 2.98 -0.65 1.60 2.01 -1.25 0.19 115.64 117.36 1igj s THR 31 Ca 0.55 -2.36 -0.25 0.00 0.31 0.00 0.00 61.69 59.94 1igj s THR 31 Cb -0.11 -3.07 0.05 0.00 0.01 0.00 0.00 72.50 69.38 1igj s THR 31 CO 0.49 -0.70 1.08 -0.31 -0.69 0.00 0.00 174.62 174.49 1igj s TYR 32 N 0.80 2.57 -0.15 4.92 2.02 -1.20 -3.88 117.35 122.43 1igj s TYR 32 Ca 0.11 -0.20 -0.06 0.00 -0.37 0.00 0.00 57.07 56.55 1igj s TYR 32 Cb -0.22 -4.37 0.07 0.00 -0.40 0.00 0.00 41.96 37.04 1igj s TYR 32 CO -0.05 -1.71 0.33 -1.17 -1.57 0.00 0.00 175.55 171.38 1igj s LEU 33 N 4.63 -0.22 0.02 -1.29 0.20 -1.26 -1.51 118.68 119.25 1igj s LEU 33 Ca 0.30 0.75 0.05 0.00 0.69 0.00 0.00 54.13 55.92 1igj s LEU 33 Cb -0.12 1.02 -0.02 0.00 -0.43 0.00 0.00 46.19 46.64 1igj s LEU 33 CO 0.15 -0.21 -0.15 0.20 -0.29 0.00 0.00 176.35 176.05 1igj s ASN 34 N 2.04 1.74 -0.13 3.68 0.01 -0.41 -1.67 114.94 120.20 1igj s ASN 34 Ca -0.04 -0.37 -0.00 0.00 -0.71 0.00 0.00 52.86 51.74 1igj s ASN 34 Cb -0.11 -0.15 -0.02 0.00 0.41 0.00 0.00 41.25 41.38 1igj s ASN 34 CO -0.11 0.11 -0.13 0.26 -1.51 0.00 0.00 177.10 175.73 1igj s TRP 35 N -0.60 2.81 0.11 2.20 0.52 -0.50 -0.03 118.94 123.45 1igj s TRP 35 Ca 0.04 -0.61 0.10 0.00 0.02 0.00 0.00 56.10 55.65 1igj s TRP 35 Cb -0.07 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.38 1igj s TRP 35 CO 0.00 -0.19 -0.24 0.71 0.02 0.00 0.00 176.95 177.26 1igj s TYR 36 N 0.30 2.39 0.03 -1.98 1.51 -0.09 -1.07 117.35 118.44 1igj s TYR 36 Ca -0.10 -0.34 0.09 0.00 -1.01 0.00 0.00 57.07 55.70 1igj s TYR 36 Cb -0.16 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 1igj s TYR 36 CO 0.05 0.33 -0.25 -1.17 -1.11 0.00 0.00 175.55 173.40 1igj s LEU 37 N -1.97 2.13 -0.15 -1.29 2.96 -0.00 -0.62 118.68 119.74 1igj s LEU 37 Ca 0.15 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1igj s LEU 37 Cb -0.10 -1.25 0.05 0.00 0.50 0.00 0.00 46.19 45.39 1igj s LEU 37 CO 0.07 0.26 0.02 -1.58 -1.32 0.00 0.00 176.35 173.80 1igj s GLN 38 N -1.04 0.64 0.28 1.98 0.74 0.69 0.04 119.66 123.00 1igj s GLN 38 Ca 0.11 -0.24 -0.28 0.00 0.05 0.00 0.00 55.36 55.00 1igj s GLN 38 Cb -0.10 -1.73 -0.09 0.00 1.10 0.00 0.00 33.01 32.19 1igj s GLN 38 CO 0.01 -0.53 0.96 0.15 -0.55 0.00 0.00 175.29 175.34 1igj s LYS 39 N 1.90 4.70 -0.06 1.67 1.02 -1.26 -1.16 119.74 126.55 1igj s LYS 39 Ca 0.01 1.46 -0.29 0.00 0.02 0.00 0.00 55.97 57.16 1igj s LYS 39 Cb -0.15 -3.04 -0.07 0.00 -0.52 0.00 0.00 37.83 34.04 1igj s LYS 39 CO -0.07 0.36 2.02 0.00 -0.92 0.00 0.00 175.35 176.74 1igj s ALA 40 N -1.38 3.30 0.00 5.17 0.00 -1.26 -1.16 121.76 126.43 1igj s ALA 40 Ca 0.46 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1igj s ALA 40 Cb -0.23 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1igj s ALA 40 CO 0.29 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.49 1igj n GLY 41 N 4.92 2.06 3.60 0.00 0.00 -1.26 -5.08 105.19 109.43 1igj n GLY 41 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.02 1.92 0.79 1.61 -0.21 -0.31 -5.14 119.66 118.31 1igj s GLN 42 Ca 0.00 -2.08 -0.11 0.00 0.02 0.00 0.00 55.36 53.19 1igj s GLN 42 Cb 0.00 -1.58 0.07 0.00 1.00 0.00 0.00 33.01 32.51 1igj s GLN 42 CO 0.00 -0.05 1.11 -1.54 -2.12 0.00 0.00 175.29 172.69 1igj s SER 43 N -3.68 4.17 0.75 5.90 1.04 -1.26 -4.55 113.70 116.07 1igj s SER 43 Ca 0.35 1.94 -0.15 0.00 0.48 0.00 0.00 55.95 58.57 1igj s SER 43 Cb 0.09 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.70 1igj s SER 43 CO 0.18 -2.26 0.98 -2.65 0.98 0.00 0.00 173.24 170.46 1igj n PRO 44 N -3.57 0.39 -5.07 4.02 -0.02 -1.26 -4.46 135.00 125.03 1igj n PRO 44 Ca 0.10 0.19 -0.31 0.00 -2.02 0.00 0.00 63.50 61.47 1igj n PRO 44 Cb 0.53 -2.24 -0.17 0.00 -0.02 0.00 0.00 33.50 31.59 1igj n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1igj s LYS 45 N -3.50 2.78 0.11 -0.52 2.36 0.11 -4.97 119.74 116.11 1igj s LYS 45 Ca 0.72 -0.79 -0.30 0.00 -2.55 0.00 0.00 55.97 53.06 1igj s LYS 45 Cb -0.33 -2.13 -0.06 0.00 -1.05 0.00 0.00 37.83 34.26 1igj s LYS 45 CO 0.51 0.14 1.12 -1.17 1.55 0.00 0.00 175.35 177.51 1igj s LEU 46 N 0.42 4.43 -0.02 5.43 2.96 -1.26 -0.82 118.68 129.82 1igj s LEU 46 Ca -0.18 2.01 -0.05 0.00 -0.22 0.00 0.00 54.13 55.69 1igj s LEU 46 Cb -0.17 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 1igj s LEU 46 CO 0.08 -0.31 -0.10 0.18 -1.32 0.00 0.00 176.35 174.87 1igj n LEU 47 N 3.12 0.91 -4.16 -0.68 4.77 -0.23 -4.88 117.00 115.84 1igj n LEU 47 Ca 0.05 0.14 -0.29 0.00 -0.03 0.00 0.00 56.01 55.89 1igj n LEU 47 Cb 0.47 -0.42 -0.17 0.00 -2.33 0.00 0.00 43.42 40.97 1igj n LEU 47 CO 0.54 -0.51 -0.53 -0.63 -1.33 0.00 0.00 177.39 174.94 1igj s ILE 48 N -1.86 1.69 0.42 -0.08 1.01 -1.06 -1.23 121.20 120.08 1igj s ILE 48 Ca -0.09 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 59.81 1igj s ILE 48 Cb 0.01 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1igj s ILE 48 CO 0.13 0.48 0.39 -0.72 0.00 0.00 0.00 174.94 175.21 1igj s TYR 49 N 0.26 2.67 -0.93 3.97 1.13 -0.51 -1.42 117.35 122.52 1igj s TYR 49 Ca -0.12 -0.50 -0.14 0.00 -1.41 0.00 0.00 57.07 54.90 1igj s TYR 49 Cb -0.15 -2.17 0.02 0.00 -1.10 0.00 0.00 41.96 38.55 1igj s TYR 49 CO 0.05 -0.15 0.27 1.63 -2.51 0.00 0.00 175.55 174.84 1igj n LYS 50 N -1.57 -0.67 0.00 -3.49 5.02 -0.85 -1.79 118.16 114.81 1igj n LYS 50 Ca 0.04 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1igj n LYS 50 Cb 0.62 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 -3.66 0.00 0.03 -0.18 3.14 -0.67 -3.86 118.33 113.13 1igj n VAL 51 Ca -0.14 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.25 1igj n VAL 51 Cb 0.42 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.22 1igj n VAL 51 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1igj n SER 52 N 0.00 1.65 -4.36 6.55 7.64 -1.20 -4.28 113.62 119.62 1igj n SER 52 Ca 0.00 -1.52 -0.46 0.00 1.01 0.00 0.00 58.87 57.89 1igj n SER 52 Cb 0.00 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 1igj n SER 52 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1igj s ASN 53 N -0.57 6.69 0.27 6.43 0.01 -0.74 -4.77 114.94 122.25 1igj s ASN 53 Ca 0.03 -2.47 -0.31 0.00 -0.71 0.00 0.00 52.86 49.41 1igj s ASN 53 Cb 0.02 -2.25 -0.12 0.00 0.41 0.00 0.00 41.25 39.31 1igj s ASN 53 CO 0.03 -0.71 1.56 -1.14 -1.51 0.00 0.00 177.10 175.33 1igj n ARG 54 N 4.65 2.51 -2.76 -0.60 0.63 -1.26 -1.42 116.66 118.40 1igj n ARG 54 Ca 0.14 0.90 -0.29 0.00 -0.92 0.00 0.00 57.85 57.67 1igj n ARG 54 Cb 0.47 -2.65 -0.02 0.00 0.45 0.00 0.00 32.46 30.71 1igj n ARG 54 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1igj s PHE 55 N 0.13 3.50 -0.33 -0.14 5.36 -0.36 -4.91 117.98 121.22 1igj s PHE 55 Ca 0.67 0.98 -0.35 0.00 -0.96 0.00 0.00 56.93 57.26 1igj s PHE 55 Cb -0.54 -2.40 -0.11 0.00 -0.34 0.00 0.00 43.02 39.62 1igj s PHE 55 CO 0.47 -0.17 2.16 0.43 -1.46 0.00 0.00 175.22 176.65 1igj n SER 56 N -1.63 2.23 0.00 6.13 7.64 -1.26 -1.26 113.62 125.47 1igj n SER 56 Ca 0.02 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1igj n SER 56 Cb 0.54 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 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 6.36 2.90 3.70 0.23 0.00 -1.26 -5.04 105.19 112.07 1igj n GLY 57 Ca 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.54 3.03 0.36 1.61 1.01 -0.39 -4.91 120.40 118.57 1igj s VAL 58 Ca 0.00 0.57 -0.28 0.00 0.00 0.00 0.00 61.98 62.28 1igj s VAL 58 Cb 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 1igj s VAL 58 CO 0.00 0.01 1.30 -2.84 0.00 0.00 0.00 175.10 173.57 1igj s PRO 59 N 2.17 4.22 0.00 2.72 0.02 -1.26 -4.86 135.00 138.01 1igj s PRO 59 Ca 0.71 2.17 0.06 0.00 0.02 0.00 0.00 61.00 63.97 1igj s PRO 59 Cb -0.40 -2.95 0.36 0.00 0.02 0.00 0.00 34.50 31.54 1igj s PRO 59 CO 0.31 -0.29 0.78 -0.40 -0.33 0.00 0.00 177.00 177.07 1igj n ASP 60 N 0.55 0.00 0.21 2.53 5.68 -1.26 -1.12 116.55 123.13 1igj n ASP 60 Ca 0.01 -0.62 0.06 0.00 -0.50 0.00 0.00 54.79 53.74 1igj n ASP 60 Cb 0.43 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.86 1igj n ASP 60 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1igj h ARG 61 N 0.00 0.00 -6.16 0.11 0.11 -1.93 -3.41 114.38 103.09 1igj h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 1igj h ARG 61 Cb 0.00 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.01 1igj h ARG 61 CO 0.00 0.30 0.77 -0.06 0.10 0.00 0.00 179.97 181.08 1igj s PHE 62 N -4.11 3.22 -0.09 4.08 0.08 -0.28 -1.52 117.98 119.36 1igj s PHE 62 Ca -0.02 1.23 -0.03 0.00 0.12 0.00 0.00 56.93 58.22 1igj s PHE 62 Cb 0.13 -3.50 0.04 0.00 -0.57 0.00 0.00 43.02 39.13 1igj s PHE 62 CO 0.68 -0.65 0.07 -1.54 -0.10 0.00 0.00 175.22 173.68 1igj s SER 63 N 1.51 1.62 0.07 1.36 1.04 -0.96 -4.93 113.70 113.41 1igj s SER 63 Ca 0.43 -0.19 0.09 0.00 0.48 0.00 0.00 55.95 56.76 1igj s SER 63 Cb -0.13 -0.19 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 1igj s SER 63 CO 0.12 -0.29 -0.22 -0.83 0.98 0.00 0.00 173.24 173.01 1igj s GLY 64 N 2.15 1.55 0.13 7.32 0.00 -1.26 -1.45 107.32 115.76 1igj s GLY 64 Ca 0.04 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.50 1igj s GLY 64 CO -0.05 -1.21 0.10 -1.14 0.00 0.00 0.00 173.10 170.80 1igj n SER 65 N 1.37 -0.01 0.00 1.64 3.41 -0.95 -4.13 113.62 114.94 1igj n SER 65 Ca -0.17 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1igj n SER 65 Cb 0.52 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1igj n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1igj n GLY 66 N 0.02 1.21 3.47 5.00 0.00 -1.26 -2.09 105.19 111.55 1igj n GLY 66 Ca 0.02 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.53 0.00 1.61 1.04 0.33 -4.89 113.70 111.25 1igj s SER 67 Ca 0.00 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1igj s SER 67 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1igj s SER 67 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1igj n GLY 68 N -0.01 1.59 0.00 7.32 0.00 -1.26 -1.43 105.19 111.40 1igj n GLY 68 Ca -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.92 2.61 -2.24 -1.26 -0.98 114.28 108.50 1igj n THR 69 Ca 0.00 -0.33 -0.35 0.00 -2.27 0.00 0.00 64.05 61.10 1igj n THR 69 Cb 0.00 0.83 -0.14 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.34 4.61 0.02 3.42 1.11 -0.51 -1.56 116.67 122.42 1igj s ASP 70 Ca 0.00 -0.98 0.02 0.00 0.18 0.00 0.00 52.55 51.76 1igj s ASP 70 Cb 0.00 -1.71 -0.01 0.00 1.07 0.00 0.00 42.92 42.27 1igj s ASP 70 CO 0.00 -0.18 -0.06 -0.36 1.18 0.00 0.00 175.17 175.76 1igj s PHE 71 N 1.32 0.49 -0.03 4.23 0.08 0.81 -0.51 117.98 124.37 1igj s PHE 71 Ca -0.01 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.73 1igj s PHE 71 Cb -0.18 -0.31 0.01 0.00 -0.57 0.00 0.00 43.02 41.97 1igj s PHE 71 CO -0.02 -0.06 -0.08 0.99 -0.10 0.00 0.00 175.22 175.95 1igj s THR 72 N -0.85 0.69 -0.20 0.64 2.01 -0.89 -0.33 115.64 116.71 1igj s THR 72 Ca -0.06 -0.29 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 1igj s THR 72 Cb -0.06 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1igj s THR 72 CO -0.00 0.23 0.31 -0.22 -0.69 0.00 0.00 174.62 174.24 1igj s LEU 73 N 0.33 4.17 0.19 4.42 2.96 -0.40 -2.24 118.68 128.10 1igj s LEU 73 Ca -0.05 0.40 0.07 0.00 -0.22 0.00 0.00 54.13 54.33 1igj s LEU 73 Cb -0.09 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1igj s LEU 73 CO 0.00 0.01 0.08 -0.54 -1.32 0.00 0.00 176.35 174.58 1igj s LYS 74 N 1.03 2.67 0.00 1.98 1.02 -0.53 -2.09 119.74 123.83 1igj s LYS 74 Ca 0.15 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 55.11 1igj s LYS 74 Cb -0.14 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.68 1igj s LYS 74 CO 0.06 0.45 -0.02 0.42 -0.92 0.00 0.00 175.35 175.33 1igj s ILE 75 N -1.86 0.16 -0.19 2.17 1.09 -0.67 -2.27 121.20 119.62 1igj s ILE 75 Ca 0.30 -0.24 -0.06 0.00 -1.10 0.00 0.00 60.65 59.54 1igj s ILE 75 Cb -0.09 -0.17 -0.21 0.00 -1.06 0.00 0.00 42.46 40.93 1igj s ILE 75 CO 0.22 -0.06 0.09 -1.54 -0.10 0.00 0.00 174.94 173.55 1igj n SER 76 N 2.75 2.03 -3.83 3.58 3.41 -0.58 -1.83 113.62 119.16 1igj n SER 76 Ca -0.14 0.14 -0.23 0.00 -0.26 0.00 0.00 58.87 58.37 1igj n SER 76 Cb 0.59 -0.73 -0.17 0.00 -0.26 0.00 0.00 64.21 63.64 1igj n SER 76 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1igj s ARG 77 N -2.52 0.87 0.38 4.33 0.52 -1.25 -3.38 118.95 117.90 1igj s ARG 77 Ca -0.29 -0.02 -0.17 0.00 -0.52 0.00 0.00 55.73 54.73 1igj s ARG 77 Cb 0.08 -1.08 -0.09 0.00 0.52 0.00 0.00 34.95 34.38 1igj s ARG 77 CO 0.67 -0.24 0.83 0.08 0.02 0.00 0.00 175.30 176.66 1igj s VAL 78 N 1.66 4.58 0.15 3.52 1.01 0.16 -4.86 120.40 126.63 1igj s VAL 78 Ca 0.01 1.11 -0.09 0.00 0.00 0.00 0.00 61.98 63.01 1igj s VAL 78 Cb -0.13 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 1igj s VAL 78 CO -0.04 -0.31 0.28 -1.61 0.00 0.00 0.00 175.10 173.42 1igj s GLU 79 N -3.23 1.11 0.00 2.72 2.02 -1.26 -0.19 118.70 119.87 1igj s GLU 79 Ca 0.57 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1igj s GLU 79 Cb -0.10 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.51 1igj s GLU 79 CO 0.19 -0.40 0.77 0.00 0.02 0.00 0.00 175.26 175.83 1igj n ALA 80 N -0.19 0.69 0.63 5.21 0.00 -1.26 -0.92 120.51 124.66 1igj n ALA 80 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1igj n ALA 80 Cb 0.63 -0.66 0.19 0.00 0.00 0.00 0.00 19.45 19.61 1igj n ALA 80 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1igj n GLU 81 N -1.27 0.25 -1.00 0.00 0.00 -1.26 -4.09 120.64 113.27 1igj n GLU 81 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 57.16 57.11 1igj n GLU 81 Cb 0.15 -1.66 0.20 0.00 0.00 0.00 0.00 31.44 30.13 1igj n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1igj n ASP 82 N -2.03 3.24 -4.49 -1.84 8.00 -0.10 -4.85 116.55 114.47 1igj n ASP 82 Ca 0.04 -3.64 -0.40 0.00 0.71 0.00 0.00 54.79 51.49 1igj n ASP 82 Cb 0.43 -0.73 -0.11 0.00 -0.02 0.00 0.00 41.12 40.69 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 -3.24 4.51 0.00 0.64 1.43 -1.26 -4.81 118.68 115.95 1igj s LEU 83 Ca 0.51 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1igj s LEU 83 Cb 0.44 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.55 1igj s LEU 83 CO 0.06 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1igj n GLY 84 N 5.08 -0.55 3.66 -3.19 0.00 -1.25 -4.43 105.19 104.51 1igj n GLY 84 Ca -0.13 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.02 4.19 0.10 -0.61 1.01 -0.31 -1.05 121.20 121.51 1igj s ILE 85 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.43 1igj s ILE 85 Cb 0.00 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1igj s ILE 85 CO 0.00 0.60 -0.13 -0.31 0.00 0.00 0.00 174.94 175.10 1igj s TYR 86 N -0.84 2.67 -0.02 3.97 1.51 0.51 -0.22 117.35 124.92 1igj s TYR 86 Ca 0.13 -0.19 -0.00 0.00 -1.01 0.00 0.00 57.07 55.99 1igj s TYR 86 Cb -0.11 -1.41 0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1igj s TYR 86 CO 0.02 0.40 0.03 -0.06 -1.11 0.00 0.00 175.55 174.83 1igj s PHE 87 N -1.17 0.02 0.45 2.71 0.08 0.21 -2.09 117.98 118.18 1igj s PHE 87 Ca 0.20 0.11 -0.05 0.00 0.12 0.00 0.00 56.93 57.31 1igj s PHE 87 Cb -0.11 -0.18 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 1igj s PHE 87 CO 0.12 -0.07 0.74 0.00 -0.10 0.00 0.00 175.22 175.91 1igj s SER 89 N -3.97 -0.11 -0.11 0.00 0.15 0.96 -1.21 113.70 109.41 1igj s SER 89 Ca 0.46 0.18 -0.00 0.00 0.70 0.00 0.00 55.95 57.29 1igj s SER 89 Cb -0.10 0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.47 1igj s SER 89 CO 0.42 -0.13 -0.10 0.00 1.20 0.00 0.00 173.24 174.63 1igj s GLN 90 N -0.28 3.17 0.00 5.44 1.03 -0.46 -1.29 119.66 127.27 1igj s GLN 90 Ca -0.04 -0.62 0.00 0.00 0.04 0.00 0.00 55.36 54.75 1igj s GLN 90 Cb -0.03 -2.65 0.00 0.00 0.03 0.00 0.00 33.01 30.37 1igj s GLN 90 CO 0.00 0.39 0.45 0.25 -2.54 0.00 0.00 175.29 173.85 1igj n THR 91 N 3.03 0.00 -0.01 3.63 -2.24 -0.57 -2.97 114.28 115.16 1igj n THR 91 Ca -0.18 -0.48 0.03 0.00 -2.27 0.00 0.00 64.05 61.16 1igj n THR 91 Cb 0.53 1.04 0.40 0.00 -2.10 0.00 0.00 70.33 70.19 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 0.04 1.12 -5.48 4.28 2.02 -1.85 -3.44 112.91 109.60 1igj h THR 92 Ca 0.00 -0.29 -0.53 0.00 0.77 0.00 0.00 66.41 66.36 1igj h THR 92 Cb 0.02 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 1igj h THR 92 CO 0.00 0.13 -0.29 1.41 0.37 0.00 0.00 175.52 177.14 1igj n HIS 93 N -4.44 -0.27 -4.30 3.16 8.25 -1.26 -4.89 115.22 111.47 1igj n HIS 93 Ca 0.03 -2.11 -0.34 0.00 -0.26 0.00 0.00 57.72 55.05 1igj n HIS 93 Cb 0.09 -0.37 -0.15 0.00 1.12 0.00 0.00 29.99 30.67 1igj n HIS 93 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1igj s VAL 94 N -2.47 2.79 0.69 1.59 1.01 -1.26 -3.97 120.40 118.78 1igj s VAL 94 Ca 0.21 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1igj s VAL 94 Cb -0.02 -2.20 0.12 0.00 0.00 0.00 0.00 36.38 34.28 1igj s VAL 94 CO 0.13 0.50 0.95 -2.16 0.00 0.00 0.00 175.10 174.52 1igj s PRO 95 N 1.04 1.82 -0.08 2.72 0.04 -1.26 -4.80 135.00 134.49 1igj s PRO 95 Ca -0.01 -1.21 -0.30 0.00 0.04 0.00 0.00 61.00 59.53 1igj s PRO 95 Cb -0.15 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 1igj s PRO 95 CO -0.03 -1.31 1.58 -2.14 0.04 0.00 0.00 177.00 175.14 1igj s PRO 96 N -5.04 4.18 0.35 0.56 0.02 -1.25 -4.82 135.00 129.00 1igj s PRO 96 Ca 0.65 2.07 0.09 0.00 0.02 0.00 0.00 61.00 63.83 1igj s PRO 96 Cb -0.06 -3.94 -0.05 0.00 0.02 0.00 0.00 34.50 30.47 1igj s PRO 96 CO 0.43 -0.83 0.05 0.95 -0.33 0.00 0.00 177.00 177.27 1igj s THR 97 N 3.97 2.59 0.30 0.99 -4.23 -1.16 -4.98 115.64 113.12 1igj s THR 97 Ca 0.70 -1.90 0.06 0.00 -1.18 0.00 0.00 61.69 59.37 1igj s THR 97 Cb -0.31 -2.86 -0.06 0.00 1.34 0.00 0.00 72.50 70.61 1igj s THR 97 CO 0.27 -0.16 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.81 1igj s PHE 98 N -2.53 1.96 0.54 3.99 0.40 -1.26 -1.35 117.98 119.73 1igj s PHE 98 Ca 0.36 -0.77 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1igj s PHE 98 Cb 0.01 -1.18 0.01 0.00 0.51 0.00 0.00 43.02 42.37 1igj s PHE 98 CO 0.20 0.20 0.80 0.20 0.70 0.00 0.00 175.22 177.32 1igj s GLY 99 N -3.46 1.63 0.06 4.36 0.00 -0.35 -4.26 107.32 105.31 1igj s GLY 99 Ca 0.31 -0.96 -0.25 0.00 0.00 0.00 0.00 44.72 43.82 1igj s GLY 99 CO 0.13 -0.71 1.39 -1.33 0.00 0.00 0.00 173.10 172.57 1igj h GLY 100 N 0.06 -1.12 0.00 0.20 0.00 -1.91 -3.46 103.07 96.83 1igj h GLY 100 Ca -0.45 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1igj h GLY 100 CO 0.58 -0.34 0.00 0.61 0.00 0.00 0.00 176.54 177.39 1igj n GLY 101 N -1.38 4.18 2.79 4.60 0.00 -1.26 -5.07 105.19 109.05 1igj n GLY 101 Ca -0.08 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.90 0.30 -0.20 2.61 2.01 -0.89 -4.40 115.64 113.17 1igj s THR 102 Ca 0.00 0.12 -0.11 0.00 0.31 0.00 0.00 61.69 62.00 1igj s THR 102 Cb 0.00 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1igj s THR 102 CO 0.00 0.22 0.19 -0.75 -0.69 0.00 0.00 174.62 173.59 1igj s LYS 103 N 1.64 4.19 -0.13 4.92 2.36 -0.66 -0.36 119.74 131.69 1igj s LYS 103 Ca -0.01 -0.13 -0.19 0.00 -2.55 0.00 0.00 55.97 53.10 1igj s LYS 103 Cb -0.13 -3.45 -0.04 0.00 -1.05 0.00 0.00 37.83 33.17 1igj s LYS 103 CO -0.03 0.23 0.51 -0.51 1.55 0.00 0.00 175.35 177.09 1igj s LEU 104 N 0.56 4.25 -0.01 5.43 1.43 -0.21 0.09 118.68 130.22 1igj s LEU 104 Ca 0.11 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 1igj s LEU 104 Cb -0.12 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 1igj s LEU 104 CO 0.01 -0.06 -0.09 -0.70 0.23 0.00 0.00 176.35 175.74 1igj s GLU 105 N 0.89 0.73 -0.18 1.70 -6.30 0.64 -3.91 118.70 112.26 1igj s GLU 105 Ca 0.27 -0.32 -0.24 0.00 -2.50 0.00 0.00 54.97 52.18 1igj s GLU 105 Cb -0.15 -0.70 -0.02 0.00 0.00 0.00 0.00 34.13 33.26 1igj s GLU 105 CO 0.11 0.19 0.78 0.42 0.02 0.00 0.00 175.26 176.78 1igj s ILE 106 N -0.20 4.91 0.55 -3.70 1.01 -1.26 -0.60 121.20 121.91 1igj s ILE 106 Ca 0.03 1.52 -0.21 0.00 0.00 0.00 0.00 60.65 61.99 1igj s ILE 106 Cb -0.04 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1igj s ILE 106 CO -0.00 0.04 1.30 -0.75 0.00 0.00 0.00 174.94 175.53 1igj s LYS 107 N 2.13 3.17 0.17 2.79 2.20 -0.94 -4.80 119.74 124.46 1igj s LYS 107 Ca 0.36 2.10 -0.23 0.00 -0.36 0.00 0.00 55.97 57.84 1igj s LYS 107 Cb -0.16 -2.21 0.08 0.00 -1.51 0.00 0.00 37.83 34.03 1igj s LYS 107 CO 0.12 -1.12 1.04 -0.98 -0.36 0.00 0.00 175.35 174.04 1igj s ARG 108 N -2.96 1.26 0.53 4.03 1.70 -1.26 -4.75 118.95 117.49 1igj s ARG 108 Ca 0.72 -0.80 -0.21 0.00 -0.47 0.00 0.00 55.73 54.96 1igj s ARG 108 Cb -0.37 0.36 -0.07 0.00 -0.57 0.00 0.00 34.95 34.30 1igj s ARG 108 CO 0.43 -0.59 1.12 0.00 -1.08 0.00 0.00 175.30 175.18 1igj n ALA 109 N -0.67 0.69 -2.42 7.88 0.00 -1.26 -4.89 120.51 119.83 1igj n ALA 109 Ca -0.03 0.12 -0.37 0.00 0.00 0.00 0.00 53.44 53.15 1igj n ALA 109 Cb 0.60 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 1igj n ALA 109 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1igj s ASP 110 N -0.96 6.16 -0.07 0.00 -1.08 -1.26 -4.67 116.67 114.80 1igj s ASP 110 Ca 0.70 -1.44 -0.15 0.00 -0.52 0.00 0.00 52.55 51.15 1igj s ASP 110 Cb -0.46 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.38 1igj s ASP 110 CO 0.51 -1.83 0.38 0.00 0.52 0.00 0.00 175.17 174.75 1igj s ALA 111 N 6.35 3.64 0.29 3.66 0.00 0.21 -4.89 121.76 131.02 1igj s ALA 111 Ca 0.54 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.91 1igj s ALA 111 Cb -0.01 -2.41 -0.10 0.00 0.00 0.00 0.00 23.12 20.60 1igj s ALA 111 CO -0.04 0.30 1.10 0.00 0.00 0.00 0.00 175.76 177.12 1igj s ALA 112 N -0.37 3.39 0.64 0.00 0.00 -1.26 -1.29 121.76 122.88 1igj s ALA 112 Ca 0.22 0.90 -0.09 0.00 0.00 0.00 0.00 51.96 52.98 1igj s ALA 112 Cb -0.15 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 1igj s ALA 112 CO 0.10 -0.17 1.01 -1.25 0.00 0.00 0.00 175.76 175.44 1igj s PRO 113 N -1.51 3.05 -0.20 0.00 0.04 -1.26 -4.53 135.00 130.59 1igj s PRO 113 Ca 0.45 0.36 -0.08 0.00 0.04 0.00 0.00 61.00 61.77 1igj s PRO 113 Cb -0.32 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1igj s PRO 113 CO 0.41 -0.80 0.09 0.99 0.04 0.00 0.00 177.00 177.72 1igj s THR 114 N -3.18 4.87 -0.10 1.26 2.01 -0.46 -4.88 115.64 115.17 1igj s THR 114 Ca 0.56 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.51 1igj s THR 114 Cb -0.11 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1igj s THR 114 CO 0.50 0.42 0.08 -0.69 -0.69 0.00 0.00 174.62 174.24 1igj s VAL 115 N 0.65 5.00 -0.04 3.82 1.01 -1.25 -0.97 120.40 128.62 1igj s VAL 115 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1igj s VAL 115 Cb -0.13 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.12 1igj s VAL 115 CO 0.01 0.60 0.07 -0.44 0.00 0.00 0.00 175.10 175.34 1igj s SER 116 N -1.02 0.05 -0.08 3.32 0.01 -0.41 -4.95 113.70 110.62 1igj s SER 116 Ca 0.15 0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.58 1igj s SER 116 Cb -0.12 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 1igj s SER 116 CO 0.04 -0.14 -0.20 -0.51 0.41 0.00 0.00 173.24 172.84 1igj s ILE 117 N 1.16 2.45 -0.15 1.44 2.07 -1.26 -0.57 121.20 126.34 1igj s ILE 117 Ca -0.09 -0.91 0.00 0.00 -1.41 0.00 0.00 60.65 58.25 1igj s ILE 117 Cb -0.12 -1.95 0.02 0.00 0.13 0.00 0.00 42.46 40.54 1igj s ILE 117 CO -0.04 0.56 -0.14 -0.36 -1.91 0.00 0.00 174.94 173.05 1igj s PHE 118 N -0.06 2.17 1.01 3.50 0.08 -0.59 -5.03 117.98 119.06 1igj s PHE 118 Ca -0.05 -1.22 -0.12 0.00 0.12 0.00 0.00 56.93 55.66 1igj s PHE 118 Cb -0.14 -1.59 0.20 0.00 -0.57 0.00 0.00 43.02 40.91 1igj s PHE 118 CO 0.04 -0.67 1.09 -2.14 -0.10 0.00 0.00 175.22 173.44 1igj s PRO 119 N 1.48 0.32 0.32 0.24 0.02 -1.26 -2.22 135.00 133.90 1igj s PRO 119 Ca 0.05 0.56 -0.29 0.00 0.02 0.00 0.00 61.00 61.34 1igj s PRO 119 Cb -0.13 -1.72 -0.12 0.00 0.02 0.00 0.00 34.50 32.55 1igj s PRO 119 CO -0.11 -2.81 1.41 -2.30 -0.33 0.00 0.00 177.00 172.86 1igj n PRO 120 N -4.24 2.34 -2.64 5.54 -0.02 -1.19 -4.82 135.00 129.98 1igj n PRO 120 Ca 0.05 0.83 -0.36 0.00 -2.02 0.00 0.00 63.50 62.00 1igj n PRO 120 Cb 0.57 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 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 -0.01 6.86 0.21 2.55 1.04 -1.26 -4.91 113.70 118.18 1igj s SER 121 Ca 0.59 1.92 -0.15 0.00 0.48 0.00 0.00 55.95 58.78 1igj s SER 121 Cb -0.55 -2.57 0.23 0.00 0.10 0.00 0.00 66.02 63.23 1igj s SER 121 CO 0.58 -0.42 1.60 0.28 0.98 0.00 0.00 173.24 176.26 1igj h SER 122 N 2.42 -0.89 -0.92 7.02 0.02 -1.98 0.26 113.55 119.47 1igj h SER 122 Ca -0.48 0.23 0.15 0.00 -0.84 0.00 0.00 61.79 60.85 1igj h SER 122 Cb 1.20 0.51 -0.08 0.00 0.14 0.00 0.00 62.40 64.18 1igj h SER 122 CO 0.62 -0.27 0.59 -0.33 -1.14 0.00 0.00 176.83 176.30 1igj h GLU 123 N -0.06 0.68 -0.04 3.45 3.07 -2.00 -1.43 114.58 118.25 1igj h GLU 123 Ca 0.31 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 59.00 1igj h GLU 123 Cb 0.54 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1igj h GLU 123 CO -0.74 0.45 -0.48 0.37 -1.40 0.00 0.00 179.01 177.21 1igj h GLN 124 N 0.70 0.39 0.00 2.33 4.15 -0.84 -2.83 115.11 119.00 1igj h GLN 124 Ca 0.47 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1igj h GLN 124 Cb 0.78 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.56 1igj h GLN 124 CO -0.23 1.03 0.00 1.28 -1.93 0.00 0.00 178.83 178.98 1igj n LEU 125 N -4.30 0.00 0.06 -2.39 4.77 -0.57 0.76 117.00 115.32 1igj n LEU 125 Ca -0.09 0.36 -0.03 0.00 -0.03 0.00 0.00 56.01 56.21 1igj n LEU 125 Cb 0.60 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1igj n LEU 125 CO 0.45 -0.28 -0.01 0.74 -1.33 0.00 0.00 177.39 176.95 1igj h THR 126 N 0.00 1.05 0.00 -5.08 2.02 -1.21 -3.31 112.91 106.38 1igj h THR 126 Ca 0.00 -2.66 -0.02 0.00 0.77 0.00 0.00 66.41 64.51 1igj h THR 126 Cb 0.08 2.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1igj h THR 126 CO 0.00 0.60 -0.09 0.28 0.37 0.00 0.00 175.52 176.68 1igj h SER 127 N 0.00 0.00 0.00 4.18 0.02 0.34 -3.46 113.55 114.63 1igj h SER 127 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1igj h SER 127 Cb 1.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.23 1igj h SER 127 CO 0.08 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 1igj n GLY 128 N 0.09 1.47 3.12 -3.77 0.00 -1.12 -5.06 105.19 99.92 1igj n GLY 128 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.16 0.60 -0.02 -0.02 0.00 -1.20 -2.45 107.32 102.08 1igj s GLY 129 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1igj s GLY 129 CO 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 173.10 171.76 1igj s ALA 130 N -3.83 0.09 -0.06 3.20 0.00 -0.12 -3.33 121.76 117.71 1igj s ALA 130 Ca 0.10 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1igj s ALA 130 Cb 0.07 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1igj s ALA 130 CO -0.08 -0.10 -0.13 -1.12 0.00 0.00 0.00 175.76 174.34 1igj s SER 131 N 1.00 1.84 -0.19 0.00 0.01 -1.26 -0.27 113.70 114.83 1igj s SER 131 Ca -0.08 -0.31 -0.05 0.00 1.31 0.00 0.00 55.95 56.81 1igj s SER 131 Cb -0.12 -0.83 -0.03 0.00 0.21 0.00 0.00 66.02 65.25 1igj s SER 131 CO -0.03 0.05 0.01 -0.69 0.41 0.00 0.00 173.24 172.99 1igj s VAL 132 N 0.60 4.17 -0.08 3.43 1.01 -0.29 -3.17 120.40 126.08 1igj s VAL 132 Ca -0.14 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1igj s VAL 132 Cb -0.15 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1igj s VAL 132 CO 0.04 0.45 -0.22 -0.69 0.00 0.00 0.00 175.10 174.68 1igj s VAL 133 N 0.70 2.33 -0.08 2.92 1.01 -0.94 -0.84 120.40 125.51 1igj s VAL 133 Ca 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1igj s VAL 133 Cb -0.14 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 1igj s VAL 133 CO 0.02 0.56 -0.22 0.00 0.00 0.00 0.00 175.10 175.46 1igj s PHE 135 N 0.20 2.99 -0.25 0.00 0.08 0.26 -1.81 117.98 119.46 1igj s PHE 135 Ca -0.12 -1.10 -0.08 0.00 0.12 0.00 0.00 56.93 55.75 1igj s PHE 135 Cb -0.16 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 1igj s PHE 135 CO 0.06 -0.60 0.10 -0.51 -0.10 0.00 0.00 175.22 174.17 1igj s LEU 136 N 1.44 3.65 0.07 -0.37 1.43 -0.71 -1.28 118.68 122.91 1igj s LEU 136 Ca 0.04 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1igj s LEU 136 Cb -0.15 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1igj s LEU 136 CO -0.03 -0.00 -0.12 0.20 0.23 0.00 0.00 176.35 176.62 1igj s ASN 137 N 1.44 1.46 -1.43 2.29 -0.87 -0.15 -0.68 114.94 117.01 1igj s ASN 137 Ca 0.06 -0.65 -0.01 0.00 -1.57 0.00 0.00 52.86 50.69 1igj s ASN 137 Cb -0.15 -0.02 0.00 0.00 -0.02 0.00 0.00 41.25 41.06 1igj s ASN 137 CO 0.05 -0.14 0.33 0.59 -2.57 0.00 0.00 177.10 175.36 1igj n ASN 138 N 1.15 -0.21 -4.98 -1.22 4.13 -1.05 -1.35 115.26 111.73 1igj n ASN 138 Ca -0.20 -1.08 -0.20 0.00 1.68 0.00 0.00 54.58 54.78 1igj n ASN 138 Cb 0.55 -2.70 -0.01 0.00 -1.54 0.00 0.00 39.78 36.08 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 -4.04 3.24 -0.19 3.10 -0.71 -0.64 -4.62 117.98 114.11 1igj s PHE 139 Ca 0.02 -0.15 -0.11 0.00 -1.04 0.00 0.00 56.93 55.66 1igj s PHE 139 Cb -0.01 -1.83 0.06 0.00 -1.21 0.00 0.00 43.02 40.04 1igj s PHE 139 CO 0.91 0.17 0.47 -0.47 -1.34 0.00 0.00 175.22 174.96 1igj s TYR 140 N -2.10 -0.71 1.02 3.49 5.04 -0.41 -0.26 117.35 123.42 1igj s TYR 140 Ca 0.41 1.47 -0.14 0.00 -2.44 0.00 0.00 57.07 56.36 1igj s TYR 140 Cb -0.09 0.35 0.20 0.00 0.35 0.00 0.00 41.96 42.76 1igj s TYR 140 CO 0.30 -0.39 1.13 -1.25 -1.34 0.00 0.00 175.55 174.00 1igj s PRO 141 N 1.48 0.21 0.00 4.97 0.04 -1.26 0.66 135.00 141.10 1igj s PRO 141 Ca -0.10 0.23 0.19 0.00 0.04 0.00 0.00 61.00 61.37 1igj s PRO 141 Cb -0.08 -1.74 0.93 0.00 0.04 0.00 0.00 34.50 33.65 1igj s PRO 141 CO -0.14 -2.82 1.59 1.17 0.04 0.00 0.00 177.00 176.84 1igj n LYS 142 N -4.18 0.22 -2.05 4.56 4.81 -1.26 -4.58 118.16 115.67 1igj n LYS 142 Ca 0.08 0.12 -0.28 0.00 -0.87 0.00 0.00 58.31 57.37 1igj n LYS 142 Cb 0.59 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 34.09 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 -2.66 5.16 -0.02 3.14 1.01 -1.26 -4.94 116.67 117.09 1igj s ASP 143 Ca 0.16 -0.61 -0.01 0.00 0.71 0.00 0.00 52.55 52.80 1igj s ASP 143 Cb 0.13 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.52 1igj s ASP 143 CO 0.30 -2.71 0.05 -0.51 0.21 0.00 0.00 175.17 172.50 1igj s ILE 144 N 9.98 -0.04 -0.16 0.77 2.07 -1.26 -3.90 121.20 128.66 1igj s ILE 144 Ca 0.70 0.16 -0.03 0.00 -1.41 0.00 0.00 60.65 60.07 1igj s ILE 144 Cb -0.07 -0.10 -0.02 0.00 0.13 0.00 0.00 42.46 42.40 1igj s ILE 144 CO 0.01 0.07 -0.05 0.21 -1.91 0.00 0.00 174.94 173.26 1igj s ASN 145 N 0.85 4.64 -0.13 4.50 3.84 -0.16 -4.99 114.94 123.50 1igj s ASN 145 Ca -0.07 -0.18 0.00 0.00 0.21 0.00 0.00 52.86 52.82 1igj s ASN 145 Cb -0.10 -1.75 0.02 0.00 -0.55 0.00 0.00 41.25 38.87 1igj s ASN 145 CO -0.03 0.15 -0.13 -0.69 -2.79 0.00 0.00 177.10 173.62 1igj s VAL 146 N 0.46 1.42 -0.01 -5.21 1.01 -1.26 -0.87 120.40 115.94 1igj s VAL 146 Ca -0.04 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1igj s VAL 146 Cb -0.15 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1igj s VAL 146 CO 0.03 0.43 -0.17 -0.75 0.00 0.00 0.00 175.10 174.64 1igj s LYS 147 N 1.42 1.39 -0.16 2.72 2.20 0.19 -4.93 119.74 122.57 1igj s LYS 147 Ca 0.02 -0.61 -0.14 0.00 -0.36 0.00 0.00 55.97 54.88 1igj s LYS 147 Cb -0.13 -1.35 -0.05 0.00 -1.51 0.00 0.00 37.83 34.80 1igj s LYS 147 CO -0.08 0.37 0.31 -1.58 -0.36 0.00 0.00 175.35 174.01 1igj s TRP 148 N -0.40 3.45 -0.24 4.03 0.52 -1.26 -1.15 118.94 123.90 1igj s TRP 148 Ca 0.06 0.61 0.02 0.00 0.02 0.00 0.00 56.10 56.81 1igj s TRP 148 Cb -0.07 -2.37 0.05 0.00 -1.15 0.00 0.00 33.47 29.93 1igj s TRP 148 CO -0.01 0.20 -0.11 0.15 0.02 0.00 0.00 176.95 177.21 1igj s LYS 149 N 0.59 2.18 -0.33 4.98 1.02 -0.15 -3.57 119.74 124.46 1igj s LYS 149 Ca 0.17 -1.17 -0.18 0.00 0.02 0.00 0.00 55.97 54.82 1igj s LYS 149 Cb -0.13 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 1igj s LYS 149 CO 0.05 -0.52 0.51 0.42 -0.92 0.00 0.00 175.35 174.89 1igj s ILE 150 N 1.21 5.03 -1.29 2.17 1.01 0.19 -0.80 121.20 128.71 1igj s ILE 150 Ca -0.06 0.45 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 1igj s ILE 150 Cb -0.19 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.36 1igj s ILE 150 CO -0.06 -0.15 0.82 0.47 0.00 0.00 0.00 174.94 176.02 1igj n ASP 151 N 5.70 -1.78 0.00 3.58 9.92 -0.09 -1.62 116.55 132.26 1igj n ASP 151 Ca -0.05 -0.75 0.00 0.00 -0.53 0.00 0.00 54.79 53.46 1igj n ASP 151 Cb 0.49 -4.40 0.00 0.00 -0.64 0.00 0.00 41.12 36.57 1igj n ASP 151 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1igj n GLY 152 N -1.46 0.22 3.70 0.44 0.00 -1.26 -4.95 105.19 101.88 1igj n GLY 152 Ca -0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.18 4.17 0.12 1.61 0.01 -0.64 -5.03 113.70 111.77 1igj s SER 153 Ca 0.00 -1.29 0.07 0.00 1.31 0.00 0.00 55.95 56.05 1igj s SER 153 Cb 0.00 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1igj s SER 153 CO 0.00 -0.58 -0.09 -0.70 0.41 0.00 0.00 173.24 172.28 1igj s GLU 154 N -3.84 2.13 -0.02 12.44 -6.30 -1.26 0.54 118.70 122.38 1igj s GLU 154 Ca 0.33 -1.07 -0.01 0.00 -2.50 0.00 0.00 54.97 51.72 1igj s GLU 154 Cb 0.06 -2.28 0.02 0.00 0.00 0.00 0.00 34.13 31.92 1igj s GLU 154 CO 0.18 0.49 0.05 0.50 0.02 0.00 0.00 175.26 176.50 1igj s ARG 155 N -2.36 0.02 -0.01 4.30 3.52 -1.23 -4.89 118.95 118.29 1igj s ARG 155 Ca 0.22 0.16 0.16 0.00 -0.13 0.00 0.00 55.73 56.14 1igj s ARG 155 Cb -0.11 -0.11 -0.22 0.00 -1.56 0.00 0.00 34.95 32.95 1igj s ARG 155 CO 0.14 -0.09 0.50 0.94 -0.81 0.00 0.00 175.30 175.98 1igj n GLN 156 N 3.67 0.99 -3.98 5.12 -0.06 -1.26 -4.66 117.38 117.20 1igj n GLN 156 Ca -0.20 -0.09 -0.36 0.00 -2.00 0.00 0.00 57.00 54.35 1igj n GLN 156 Cb 0.55 -1.34 -0.07 0.00 -4.06 0.00 0.00 30.24 25.32 1igj n GLN 156 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 1igj s ASN 157 N -3.34 6.15 0.00 1.69 3.84 -1.26 -4.05 114.94 117.97 1igj s ASN 157 Ca -0.01 0.38 0.00 0.00 0.21 0.00 0.00 52.86 53.44 1igj s ASN 157 Cb 0.11 -1.93 0.00 0.00 -0.55 0.00 0.00 41.25 38.88 1igj s ASN 157 CO 0.68 0.38 0.00 0.61 -2.79 0.00 0.00 177.10 175.98 1igj n GLY 158 N 1.86 0.73 3.81 1.21 0.00 -1.26 -4.92 105.19 106.62 1igj n GLY 158 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.27 4.14 -0.03 1.61 1.01 -1.26 -2.55 120.40 121.06 1igj s VAL 159 Ca 0.00 1.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.28 1igj s VAL 159 Cb 0.00 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1igj s VAL 159 CO 0.00 -0.31 0.06 -0.22 0.00 0.00 0.00 175.10 174.63 1igj s LEU 160 N -3.38 1.23 0.30 3.92 2.96 -0.34 -4.92 118.68 118.44 1igj s LEU 160 Ca 0.64 0.11 0.11 0.00 -0.22 0.00 0.00 54.13 54.78 1igj s LEU 160 Cb -0.12 0.10 -0.05 0.00 0.50 0.00 0.00 46.19 46.61 1igj s LEU 160 CO 0.17 -0.10 -0.16 0.20 -1.32 0.00 0.00 176.35 175.15 1igj s ASN 161 N 0.77 3.70 -0.25 3.68 0.01 -1.26 -1.14 114.94 120.46 1igj s ASN 161 Ca -0.06 -1.04 -0.26 0.00 -0.71 0.00 0.00 52.86 50.79 1igj s ASN 161 Cb -0.09 -0.35 0.10 0.00 0.41 0.00 0.00 41.25 41.32 1igj s ASN 161 CO -0.03 -0.03 0.89 -0.55 -1.51 0.00 0.00 177.10 175.87 1igj s SER 162 N -3.55 -0.57 0.09 -1.22 0.15 -1.11 -4.94 113.70 102.55 1igj s SER 162 Ca 0.31 1.04 0.07 0.00 0.70 0.00 0.00 55.95 58.06 1igj s SER 162 Cb -0.03 1.03 -0.03 0.00 -1.71 0.00 0.00 66.02 65.28 1igj s SER 162 CO 0.16 -0.23 -0.18 0.26 1.20 0.00 0.00 173.24 174.44 1igj s TRP 163 N 0.08 1.55 0.18 3.44 0.51 -1.26 -1.96 118.94 121.48 1igj s TRP 163 Ca 0.01 -0.43 0.04 0.00 -2.12 0.00 0.00 56.10 53.59 1igj s TRP 163 Cb -0.04 -0.86 -0.03 0.00 -0.81 0.00 0.00 33.47 31.73 1igj s TRP 163 CO -0.02 0.14 0.28 0.99 -0.51 0.00 0.00 176.95 177.83 1igj s THR 164 N -1.19 5.13 0.00 2.01 2.01 -0.48 -4.99 115.64 118.13 1igj s THR 164 Ca 0.03 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1igj s THR 164 Cb -0.10 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1igj s THR 164 CO 0.03 -0.18 0.00 0.47 -0.69 0.00 0.00 174.62 174.25 1igj n ASP 165 N -0.82 -0.24 -4.77 3.53 8.00 -1.26 -4.43 116.55 116.56 1igj n ASP 165 Ca -0.08 -0.59 -0.40 0.00 0.71 0.00 0.00 54.79 54.43 1igj n ASP 165 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.12 4.18 -0.34 -1.24 -0.21 -1.26 -4.58 119.66 114.08 1igj s GLN 166 Ca 0.00 2.24 -0.29 0.00 0.02 0.00 0.00 55.36 57.33 1igj s GLN 166 Cb 0.00 -2.94 -0.00 0.00 1.00 0.00 0.00 33.01 31.07 1igj s GLN 166 CO 0.00 -0.34 1.47 0.34 -2.12 0.00 0.00 175.29 174.64 1igj s ASP 167 N -0.54 6.36 -0.77 5.90 2.15 -1.14 -4.86 116.67 123.76 1igj s ASP 167 Ca 0.52 1.10 -0.06 0.00 0.43 0.00 0.00 52.55 54.55 1igj s ASP 167 Cb -0.40 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.63 1igj s ASP 167 CO 0.53 -1.36 1.94 -1.20 -0.17 0.00 0.00 175.17 174.90 1igj n SER 168 N 8.69 4.10 0.09 -0.34 7.64 -1.26 0.35 113.62 132.89 1igj n SER 168 Ca 0.17 -2.29 0.00 0.00 1.01 0.00 0.00 58.87 57.76 1igj n SER 168 Cb 0.47 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1igj n SER 168 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1igj n LYS 169 N 4.47 0.00 -0.11 1.43 3.00 -1.26 -4.99 118.16 120.71 1igj n LYS 169 Ca 0.38 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.73 1igj n LYS 169 Cb 0.13 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.21 1igj n LYS 169 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1igj n ASP 170 N -2.85 1.53 -3.31 3.14 5.68 -0.97 -5.05 116.55 114.71 1igj n ASP 170 Ca 0.00 -2.28 -0.21 0.00 -0.50 0.00 0.00 54.79 51.80 1igj n ASP 170 Cb 0.00 -0.20 -0.02 0.00 -1.14 0.00 0.00 41.12 39.76 1igj n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1igj n SER 171 N -0.71 -2.76 -4.62 -1.12 7.64 0.16 -4.90 113.62 107.31 1igj n SER 171 Ca 0.06 -0.30 -0.32 0.00 1.01 0.00 0.00 58.87 59.33 1igj n SER 171 Cb 0.51 -2.34 -0.10 0.00 -1.01 0.00 0.00 64.21 61.27 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 -2.75 3.72 0.40 0.44 -4.23 -1.26 -4.46 115.64 107.49 1igj s THR 172 Ca 0.36 -0.86 -0.09 0.00 -1.18 0.00 0.00 61.69 59.92 1igj s THR 172 Cb -0.20 -2.66 -0.06 0.00 1.34 0.00 0.00 72.50 70.92 1igj s THR 172 CO 0.44 0.31 0.74 -0.31 -0.54 0.00 0.00 174.62 175.26 1igj s TYR 173 N -1.09 3.48 0.11 3.99 2.02 0.64 -2.90 117.35 123.61 1igj s TYR 173 Ca 0.19 0.95 0.03 0.00 -0.37 0.00 0.00 57.07 57.87 1igj s TYR 173 Cb -0.11 -2.37 -0.04 0.00 -0.40 0.00 0.00 41.96 39.04 1igj s TYR 173 CO 0.10 -0.09 -0.08 -1.12 -1.57 0.00 0.00 175.55 172.80 1igj s SER 174 N -3.30 1.30 -0.17 2.29 0.01 -1.26 -1.62 113.70 110.96 1igj s SER 174 Ca 0.50 -0.98 -0.13 0.00 1.31 0.00 0.00 55.95 56.65 1igj s SER 174 Cb -0.10 0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.24 1igj s SER 174 CO 0.33 -0.41 0.44 -0.32 0.41 0.00 0.00 173.24 173.69 1igj s MET 175 N -3.66 0.48 -0.21 12.44 1.75 0.15 -1.38 119.30 128.87 1igj s MET 175 Ca 0.12 0.71 0.00 0.00 -1.25 0.00 0.00 55.69 55.27 1igj s MET 175 Cb 0.03 0.14 0.02 0.00 2.84 0.00 0.00 34.83 37.87 1igj s MET 175 CO -0.03 -0.10 -0.14 -1.54 -0.65 0.00 0.00 175.02 172.56 1igj s SER 176 N 0.74 3.65 -0.03 1.11 1.04 -0.83 -1.73 113.70 117.64 1igj s SER 176 Ca -0.04 -0.73 -0.10 0.00 0.48 0.00 0.00 55.95 55.56 1igj s SER 176 Cb -0.05 -1.56 -0.05 0.00 0.10 0.00 0.00 66.02 64.46 1igj s SER 176 CO -0.05 -0.05 0.28 -0.55 0.98 0.00 0.00 173.24 173.85 1igj s SER 177 N 1.30 6.57 0.07 7.02 0.15 -0.75 -2.73 113.70 125.34 1igj s SER 177 Ca 0.03 0.68 0.04 0.00 0.70 0.00 0.00 55.95 57.40 1igj s SER 177 Cb -0.15 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 1igj s SER 177 CO -0.09 0.33 -0.13 -0.89 1.20 0.00 0.00 173.24 173.66 1igj s THR 178 N -1.14 1.00 -0.10 6.45 2.01 -0.29 -0.74 115.64 122.83 1igj s THR 178 Ca 0.22 -1.32 0.00 0.00 0.31 0.00 0.00 61.69 60.90 1igj s THR 178 Cb -0.14 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.35 1igj s THR 178 CO 0.11 -0.30 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.44 1igj s LEU 179 N -1.82 1.28 -0.30 4.42 2.96 -0.02 -1.20 118.68 124.00 1igj s LEU 179 Ca -0.02 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1igj s LEU 179 Cb -0.09 -0.83 0.06 0.00 0.50 0.00 0.00 46.19 45.83 1igj s LEU 179 CO 0.02 -0.09 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.05 1igj s THR 180 N 1.48 2.69 0.44 3.68 2.01 -1.06 -1.13 115.64 123.75 1igj s THR 180 Ca 0.01 -1.59 0.01 0.00 0.31 0.00 0.00 61.69 60.42 1igj s THR 180 Cb -0.13 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 1igj s THR 180 CO -0.06 -0.17 0.66 -0.76 -0.69 0.00 0.00 174.62 173.60 1igj s LEU 181 N 1.17 3.69 0.86 4.42 1.43 0.62 -4.92 118.68 125.94 1igj s LEU 181 Ca -0.04 0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.21 1igj s LEU 181 Cb -0.20 -3.17 0.12 0.00 0.03 0.00 0.00 46.19 42.97 1igj s LEU 181 CO -0.03 -0.66 1.22 0.42 0.23 0.00 0.00 176.35 177.53 1igj s THR 182 N -2.52 2.00 0.02 5.49 -4.23 -1.26 -0.94 115.64 114.19 1igj s THR 182 Ca 0.48 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.72 1igj s THR 182 Cb -0.10 -3.00 -0.16 0.00 1.34 0.00 0.00 72.50 70.59 1igj s THR 182 CO 0.38 0.00 1.20 0.50 -0.54 0.00 0.00 174.62 176.16 1igj h LYS 183 N -1.24 -0.68 -0.99 3.99 3.64 -1.70 -3.12 116.57 116.47 1igj h LYS 183 Ca -0.46 0.05 0.31 0.00 -1.27 0.00 0.00 60.65 59.28 1igj h LYS 183 Cb 1.30 0.16 -0.18 0.00 -0.41 0.00 0.00 32.23 33.09 1igj h LYS 183 CO 0.58 -0.38 0.16 -3.47 -2.27 0.00 0.00 179.45 174.06 1igj n ASP 184 N -5.29 0.01 0.18 4.20 -0.08 -1.26 -0.06 116.55 114.25 1igj n ASP 184 Ca -0.11 1.67 0.07 0.00 -1.51 0.00 0.00 54.79 54.91 1igj n ASP 184 Cb 0.32 -0.66 0.12 0.00 2.34 0.00 0.00 41.12 43.24 1igj n ASP 184 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1igj h GLU 185 N 0.00 0.00 0.11 -0.67 4.81 -1.96 -1.69 114.58 115.17 1igj h GLU 185 Ca 0.66 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.72 1igj h GLU 185 Cb 1.50 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.90 1igj h GLU 185 CO -0.89 0.28 -0.75 -0.92 -0.73 0.00 0.00 179.01 176.01 1igj h TYR 186 N 0.00 0.55 -0.25 0.92 3.20 -0.41 -3.28 116.97 117.71 1igj h TYR 186 Ca -0.00 -0.38 0.07 0.00 3.14 0.00 0.00 58.73 61.56 1igj h TYR 186 Cb 1.18 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 1igj h TYR 186 CO 0.00 1.27 0.19 0.93 -1.64 0.00 0.00 178.16 178.90 1igj h GLU 187 N -0.31 0.00 0.00 1.82 5.08 -0.65 0.28 114.58 120.80 1igj h GLU 187 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1igj h GLU 187 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1igj h GLU 187 CO 0.14 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 176.02 1igj n ARG 188 N -4.36 0.93 -3.78 2.33 0.63 -0.67 -4.87 116.66 106.87 1igj n ARG 188 Ca 0.03 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.83 1igj n ARG 188 Cb 0.34 -1.49 -0.11 0.00 0.45 0.00 0.00 32.46 31.64 1igj n ARG 188 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1igj s HIS 189 N -2.00 -0.30 -0.27 -0.14 3.76 0.99 -5.05 115.29 112.27 1igj s HIS 189 Ca 0.44 0.73 -0.13 0.00 -0.15 0.00 0.00 55.06 55.95 1igj s HIS 189 Cb 0.20 0.10 -0.12 0.00 1.11 0.00 0.00 32.58 33.88 1igj s HIS 189 CO 0.34 -0.16 -0.34 -1.71 -0.85 0.00 0.00 174.74 172.02 1igj n ASN 190 N 2.83 1.88 -4.91 1.40 2.85 -1.26 -4.70 115.26 113.34 1igj n ASN 190 Ca -0.13 0.30 -0.31 0.00 -0.11 0.00 0.00 54.58 54.33 1igj n ASN 190 Cb 0.58 -0.77 -0.04 0.00 1.24 0.00 0.00 39.78 40.79 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 -7.35 6.39 -0.07 1.20 1.04 -1.26 0.10 113.70 113.75 1igj s SER 191 Ca -0.37 0.34 -0.00 0.00 0.48 0.00 0.00 55.95 56.39 1igj s SER 191 Cb 0.14 -1.99 0.03 0.00 0.10 0.00 0.00 66.02 64.30 1igj s SER 191 CO 0.47 0.15 -0.02 -0.31 0.98 0.00 0.00 173.24 174.51 1igj s TYR 192 N -1.54 0.78 0.07 5.02 1.51 -0.73 -0.91 117.35 121.56 1igj s TYR 192 Ca 0.36 -0.24 0.07 0.00 -1.01 0.00 0.00 57.07 56.24 1igj s TYR 192 Cb -0.13 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 1igj s TYR 192 CO 0.27 -0.30 -0.18 0.99 -1.11 0.00 0.00 175.55 175.22 1igj s THR 193 N 1.59 1.42 -0.05 -0.71 2.01 0.02 -1.88 115.64 118.04 1igj s THR 193 Ca -0.00 -1.32 0.01 0.00 0.31 0.00 0.00 61.69 60.69 1igj s THR 193 Cb -0.13 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.11 1igj s THR 193 CO -0.04 -0.06 -0.04 0.00 -0.69 0.00 0.00 174.62 173.79 1igj s GLU 195 N 1.02 0.49 -0.21 0.00 -1.05 -0.30 -0.18 118.70 118.47 1igj s GLU 195 Ca -0.09 0.02 -0.06 0.00 -0.15 0.00 0.00 54.97 54.69 1igj s GLU 195 Cb -0.14 -0.63 -0.03 0.00 -0.44 0.00 0.00 34.13 32.89 1igj s GLU 195 CO -0.00 -0.13 0.03 0.00 0.95 0.00 0.00 175.26 176.10 1igj s ALA 196 N 1.06 3.13 -0.17 -0.84 0.00 -0.58 -0.64 121.76 123.72 1igj s ALA 196 Ca -0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 1igj s ALA 196 Cb -0.14 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 1igj s ALA 196 CO -0.01 -0.14 -0.03 0.99 0.00 0.00 0.00 175.76 176.57 1igj s THR 197 N 0.98 3.87 -0.00 0.00 2.01 -0.05 -0.81 115.64 121.64 1igj s THR 197 Ca 0.02 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 1igj s THR 197 Cb -0.14 -2.71 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 1igj s THR 197 CO 0.02 0.47 0.05 -2.28 -0.69 0.00 0.00 174.62 172.19 1igj s HIS 198 N 0.59 0.07 -0.96 4.92 5.04 -1.25 -0.99 115.29 122.72 1igj s HIS 198 Ca -0.02 -0.15 -0.25 0.00 -1.54 0.00 0.00 55.06 53.09 1igj s HIS 198 Cb -0.14 -0.07 -0.13 0.00 0.04 0.00 0.00 32.58 32.28 1igj s HIS 198 CO 0.02 -0.15 2.14 0.15 -2.34 0.00 0.00 174.74 174.57 1igj s LYS 199 N -0.82 1.89 0.00 2.88 1.02 -1.25 -1.80 119.74 121.65 1igj s LYS 199 Ca -0.09 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1igj s LYS 199 Cb -0.06 -4.98 0.00 0.00 -0.52 0.00 0.00 37.83 32.28 1igj s LYS 199 CO 0.00 -4.36 0.00 2.41 -0.92 0.00 0.00 175.35 172.48 1igj n THR 200 N 8.46 0.00 -1.78 2.17 -1.04 -1.26 -4.58 114.28 116.24 1igj n THR 200 Ca 0.43 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 62.20 1igj n THR 200 Cb 0.46 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.91 1igj n THR 200 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1igj s SER 201 N -2.00 4.55 0.21 8.00 0.01 -0.75 -4.83 113.70 118.89 1igj s SER 201 Ca 0.00 -0.01 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 1igj s SER 201 Cb 0.00 -2.54 0.25 0.00 0.21 0.00 0.00 66.02 63.94 1igj s SER 201 CO 0.00 -3.18 1.66 0.74 0.41 0.00 0.00 173.24 172.87 1igj h THR 202 N 7.45 0.49 -3.32 1.44 2.02 -1.97 -3.33 112.91 115.69 1igj h THR 202 Ca -0.03 -0.03 -0.62 0.00 0.77 0.00 0.00 66.41 66.50 1igj h THR 202 Cb 1.06 0.40 -0.18 0.00 -1.74 0.00 0.00 68.15 67.70 1igj h THR 202 CO 1.12 0.01 -0.59 -0.44 0.37 0.00 0.00 175.52 176.00 1igj s SER 203 N -5.23 5.43 -0.12 4.18 0.01 -1.26 -5.03 113.70 111.67 1igj s SER 203 Ca -0.14 0.02 -0.32 0.00 1.31 0.00 0.00 55.95 56.82 1igj s SER 203 Cb 0.18 -1.92 -0.15 0.00 0.21 0.00 0.00 66.02 64.34 1igj s SER 203 CO 0.73 0.16 0.94 -2.65 0.41 0.00 0.00 173.24 172.83 1igj n PRO 204 N 3.63 0.00 -2.89 12.44 -0.02 -1.26 -4.82 135.00 142.08 1igj n PRO 204 Ca -0.17 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.88 1igj n PRO 204 Cb 0.52 -1.13 -0.03 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.73 4.57 -0.20 4.25 1.01 0.01 -4.87 121.20 126.71 1igj s ILE 205 Ca 0.72 -1.21 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 1igj s ILE 205 Cb -1.01 -4.77 -0.00 0.00 0.01 0.00 0.00 42.46 36.68 1igj s ILE 205 CO 0.49 -1.52 1.12 -0.69 0.00 0.00 0.00 174.94 174.34 1igj s VAL 206 N 3.18 4.54 0.03 2.92 1.01 -1.26 -1.53 120.40 129.30 1igj s VAL 206 Ca 0.31 1.86 0.02 0.00 0.00 0.00 0.00 61.98 64.17 1igj s VAL 206 Cb -0.08 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1igj s VAL 206 CO -0.05 -0.15 -0.06 -0.54 0.00 0.00 0.00 175.10 174.30 1igj s LYS 207 N 3.21 0.46 0.10 2.72 1.02 0.74 -4.98 119.74 123.00 1igj s LYS 207 Ca 0.48 -0.57 -0.03 0.00 0.02 0.00 0.00 55.97 55.87 1igj s LYS 207 Cb -0.18 -0.27 0.01 0.00 -0.52 0.00 0.00 37.83 36.87 1igj s LYS 207 CO 0.10 0.05 0.18 -1.13 -0.92 0.00 0.00 175.35 173.63 1igj n SER 208 N 1.92 -0.51 -3.46 2.83 3.41 -1.26 -0.32 113.62 116.23 1igj n SER 208 Ca -0.20 -1.41 -0.05 0.00 -0.26 0.00 0.00 58.87 56.95 1igj n SER 208 Cb 0.56 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.38 1igj n SER 208 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1igj s PHE 209 N -6.67 -0.02 -0.03 7.33 -0.71 -0.79 -4.96 117.98 112.14 1igj s PHE 209 Ca 0.05 -0.42 0.08 0.00 -1.04 0.00 0.00 56.93 55.59 1igj s PHE 209 Cb -0.01 0.72 -0.02 0.00 -1.21 0.00 0.00 43.02 42.50 1igj s PHE 209 CO 0.03 -1.10 -0.26 -0.80 -1.34 0.00 0.00 175.22 171.75 1igj s ASN 210 N -3.10 3.04 0.00 1.98 -0.87 -1.26 -1.77 114.94 112.96 1igj s ASN 210 Ca 0.15 -0.48 0.03 0.00 -1.57 0.00 0.00 52.86 51.00 1igj s ASN 210 Cb -0.03 -0.43 0.17 0.00 -0.02 0.00 0.00 41.25 40.93 1igj s ASN 210 CO 0.06 0.30 0.65 -1.14 -2.57 0.00 0.00 177.10 174.41