#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h9j h SER -2 N 0.00 0.00 -2.26 1.61 4.64 -2.12 -3.47 113.55 111.95 1h9j h SER -2 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1h9j h SER -2 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1h9j h SER -2 CO 0.00 0.88 0.00 0.00 -0.87 0.00 0.00 176.83 176.84 1h9j n HIS -1 N -3.29 -1.11 -2.95 4.77 1.44 -1.26 -5.14 115.22 107.68 1h9j n HIS -1 Ca -0.01 -0.87 -0.41 0.00 -2.01 0.00 0.00 57.72 54.42 1h9j n HIS -1 Cb 0.90 0.28 -0.05 0.00 0.12 0.00 0.00 29.99 31.24 1h9j n HIS -1 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1h9j s MET 1 N -2.21 4.16 -0.40 -1.40 1.75 -1.26 -5.00 119.30 114.94 1h9j s MET 1 Ca 0.10 0.83 -0.11 0.00 -1.25 0.00 0.00 55.69 55.26 1h9j s MET 1 Cb -0.01 -3.65 0.05 0.00 2.84 0.00 0.00 34.83 34.06 1h9j s MET 1 CO 0.07 -0.50 0.24 0.15 -0.65 0.00 0.00 175.02 174.33 1h9j s LYS 2 N 2.76 2.76 0.05 4.11 1.02 -1.26 -5.07 119.74 124.11 1h9j s LYS 2 Ca 0.32 -1.23 0.03 0.00 0.02 0.00 0.00 55.97 55.11 1h9j s LYS 2 Cb -0.15 -3.78 -0.02 0.00 -0.52 0.00 0.00 37.83 33.35 1h9j s LYS 2 CO 0.08 -0.81 -0.09 -1.50 -0.92 0.00 0.00 175.35 172.10 1h9j s ILE 3 N 1.52 0.63 0.37 2.17 2.07 -1.26 -5.07 121.20 121.63 1h9j s ILE 3 Ca 0.02 -1.11 0.15 0.00 -1.41 0.00 0.00 60.65 58.29 1h9j s ILE 3 Cb -0.21 -0.68 0.12 0.00 0.13 0.00 0.00 42.46 41.82 1h9j s ILE 3 CO 0.05 -0.36 1.85 0.77 -1.91 0.00 0.00 174.94 175.35 1h9j h SER 4 N 4.47 0.00 -2.27 4.50 4.64 -2.01 -3.45 113.55 119.43 1h9j h SER 4 Ca -0.37 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.33 1h9j h SER 4 Cb 1.20 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.39 1h9j h SER 4 CO 0.41 0.34 0.16 0.00 -0.87 0.00 0.00 176.83 176.86 1h9j n ALA 5 N -2.44 -0.44 0.23 5.18 0.00 -1.26 -4.86 120.51 116.92 1h9j n ALA 5 Ca -0.02 0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.95 1h9j n ALA 5 Cb 0.39 -2.01 0.40 0.00 0.00 0.00 0.00 19.45 18.23 1h9j n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h9j h ARG 6 N 2.43 0.00 -4.68 0.00 2.47 -1.88 -3.41 114.38 109.31 1h9j h ARG 6 Ca -0.40 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.67 1h9j h ARG 6 Cb 1.34 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 29.29 1h9j h ARG 6 CO 0.64 0.13 -0.79 -0.80 0.56 0.00 0.00 179.97 179.71 1h9j s ASN 7 N -6.07 4.27 -0.26 7.04 0.01 -1.12 -4.73 114.94 114.08 1h9j s ASN 7 Ca 0.03 -1.37 -0.00 0.00 -0.71 0.00 0.00 52.86 50.81 1h9j s ASN 7 Cb 0.08 -1.43 0.07 0.00 0.41 0.00 0.00 41.25 40.39 1h9j s ASN 7 CO 0.63 -0.22 0.02 -0.69 -1.51 0.00 0.00 177.10 175.33 1h9j s VAL 8 N 1.19 1.20 -0.10 1.60 1.01 -1.26 -0.90 120.40 123.14 1h9j s VAL 8 Ca -0.07 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 60.66 1h9j s VAL 8 Cb -0.20 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1h9j s VAL 8 CO -0.06 -0.33 -0.02 -0.36 0.00 0.00 0.00 175.10 174.34 1h9j s PHE 9 N 1.51 3.09 0.04 5.22 0.40 0.32 -4.92 117.98 123.64 1h9j s PHE 9 Ca 0.01 0.05 -0.14 0.00 -0.60 0.00 0.00 56.93 56.25 1h9j s PHE 9 Cb -0.18 -1.83 -0.06 0.00 0.51 0.00 0.00 43.02 41.46 1h9j s PHE 9 CO -0.12 0.32 0.43 -1.59 0.70 0.00 0.00 175.22 174.96 1h9j s LYS 10 N -0.53 3.90 0.23 0.44 0.00 -1.26 0.33 119.74 122.84 1h9j s LYS 10 Ca 0.09 0.38 -0.13 0.00 0.00 0.00 0.00 55.97 56.31 1h9j s LYS 10 Cb -0.12 -3.14 0.05 0.00 0.00 0.00 0.00 37.83 34.62 1h9j s LYS 10 CO 0.02 0.64 0.66 0.41 0.00 0.00 0.00 175.35 177.08 1h9j n GLY 11 N 1.49 1.04 3.26 0.59 0.00 -0.25 -3.74 105.19 107.58 1h9j n GLY 11 Ca -0.11 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 1h9j n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h9j s THR 12 N -2.27 1.88 -0.00 2.61 -4.23 -1.01 -1.32 115.64 111.30 1h9j s THR 12 Ca 0.14 -1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 59.35 1h9j s THR 12 Cb -0.03 -1.57 -0.07 0.00 1.34 0.00 0.00 72.50 72.17 1h9j s THR 12 CO 0.07 0.53 1.62 -0.69 -0.54 0.00 0.00 174.62 175.61 1h9j s VAL 13 N -0.39 3.40 -0.09 2.29 1.01 -0.31 -0.32 120.40 125.99 1h9j s VAL 13 Ca 0.04 0.67 0.22 0.00 0.00 0.00 0.00 61.98 62.91 1h9j s VAL 13 Cb -0.11 -3.43 -0.24 0.00 0.00 0.00 0.00 36.38 32.60 1h9j s VAL 13 CO 0.01 -0.03 0.62 -1.54 0.00 0.00 0.00 175.10 174.15 1h9j n SER 14 N 6.35 0.25 -3.65 3.32 3.41 0.72 -0.69 113.62 123.33 1h9j n SER 14 Ca 0.16 0.10 -0.15 0.00 -0.26 0.00 0.00 58.87 58.72 1h9j n SER 14 Cb 0.42 1.50 -0.08 0.00 -0.26 0.00 0.00 64.21 65.79 1h9j n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h9j s ALA 15 N -3.42 -1.33 -0.12 7.33 0.00 -1.16 -4.86 121.76 118.20 1h9j s ALA 15 Ca -0.06 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.04 1h9j s ALA 15 Cb 0.12 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1h9j s ALA 15 CO 0.87 -0.29 -0.12 -1.17 0.00 0.00 0.00 175.76 175.05 1h9j s LEU 16 N -0.63 1.51 -0.42 0.00 2.96 -1.26 -0.82 118.68 120.02 1h9j s LEU 16 Ca -0.07 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 1h9j s LEU 16 Cb -0.03 -1.01 0.11 0.00 0.50 0.00 0.00 46.19 45.77 1h9j s LEU 16 CO 0.05 -0.06 0.15 -1.59 -1.32 0.00 0.00 176.35 173.58 1h9j s LYS 17 N 1.39 1.62 -0.00 1.98 0.00 0.92 -4.99 119.74 120.66 1h9j s LYS 17 Ca 0.01 -2.14 -0.17 0.00 0.00 0.00 0.00 55.97 53.67 1h9j s LYS 17 Cb -0.13 -3.13 -0.06 0.00 0.00 0.00 0.00 37.83 34.51 1h9j s LYS 17 CO -0.07 -1.02 0.48 -1.21 0.00 0.00 0.00 175.35 173.53 1h9j s GLU 18 N 0.43 4.12 0.09 1.78 2.02 -1.26 -0.77 118.70 125.12 1h9j s GLU 18 Ca 0.14 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.67 1h9j s GLU 18 Cb -0.22 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1h9j s GLU 18 CO -0.05 0.54 0.04 0.41 0.02 0.00 0.00 175.26 176.21 1h9j n GLY 19 N 2.15 3.53 0.11 -1.39 0.00 0.72 -4.99 105.19 105.31 1h9j n GLY 19 Ca -0.11 -2.21 0.13 0.00 0.00 0.00 0.00 46.02 43.82 1h9j n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h9j n ALA 20 N -2.76 2.08 -0.04 4.61 0.00 -1.26 -4.20 120.51 118.94 1h9j n ALA 20 Ca -0.03 0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1h9j n ALA 20 Cb 0.11 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 1h9j n ALA 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1h9j n VAL 21 N -2.21 0.48 -4.38 0.00 0.31 -1.26 -4.90 118.33 106.37 1h9j n VAL 21 Ca 0.04 -0.12 -0.19 0.00 -0.01 0.00 0.00 64.34 64.06 1h9j n VAL 21 Cb 0.36 -1.62 -0.10 0.00 -0.91 0.00 0.00 33.84 31.57 1h9j n VAL 21 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1h9j s ASN 22 N -5.78 1.89 -0.02 4.52 0.01 -1.26 -1.41 114.94 112.88 1h9j s ASN 22 Ca -0.12 -1.34 0.02 0.00 -0.71 0.00 0.00 52.86 50.71 1h9j s ASN 22 Cb 0.05 0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.72 1h9j s ASN 22 CO 0.15 -0.62 -0.08 0.00 -1.51 0.00 0.00 177.10 175.04 1h9j s ALA 23 N -3.46 0.78 -0.18 0.60 0.00 0.31 -0.20 121.76 119.61 1h9j s ALA 23 Ca 0.35 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 1h9j s ALA 23 Cb 0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1h9j s ALA 23 CO 0.13 0.12 0.34 -2.00 0.00 0.00 0.00 175.76 174.35 1h9j s GLU 24 N 0.23 4.23 -0.24 0.00 2.12 0.05 -1.29 118.70 123.80 1h9j s GLU 24 Ca -0.03 0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.46 1h9j s GLU 24 Cb -0.08 -3.47 0.04 0.00 0.26 0.00 0.00 34.13 30.88 1h9j s GLU 24 CO 0.00 0.12 -0.13 0.08 -0.54 0.00 0.00 175.26 174.80 1h9j s VAL 25 N 0.82 2.25 -0.24 3.70 1.01 0.91 -0.05 120.40 128.80 1h9j s VAL 25 Ca 0.18 -1.34 -0.13 0.00 0.00 0.00 0.00 61.98 60.69 1h9j s VAL 25 Cb -0.14 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1h9j s VAL 25 CO 0.06 0.17 0.29 -1.81 0.00 0.00 0.00 175.10 173.81 1h9j s ASP 26 N 1.19 6.23 -0.07 3.32 1.01 -0.00 -0.66 116.67 127.68 1h9j s ASP 26 Ca -0.03 0.25 0.02 0.00 0.71 0.00 0.00 52.55 53.50 1h9j s ASP 26 Cb -0.17 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 1h9j s ASP 26 CO -0.07 -0.06 -0.13 -0.63 0.21 0.00 0.00 175.17 174.49 1h9j s ILE 27 N 1.52 3.15 -0.35 0.77 1.01 -0.03 -0.20 121.20 127.06 1h9j s ILE 27 Ca 0.13 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 1h9j s ILE 27 Cb -0.15 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1h9j s ILE 27 CO 0.08 0.57 0.22 -0.22 0.00 0.00 0.00 174.94 175.60 1h9j s LEU 28 N -0.46 4.58 0.65 2.97 2.96 0.56 -1.30 118.68 128.64 1h9j s LEU 28 Ca 0.06 -0.67 -0.09 0.00 -0.22 0.00 0.00 54.13 53.21 1h9j s LEU 28 Cb -0.12 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.50 1h9j s LEU 28 CO 0.02 -0.30 1.00 -0.76 -1.32 0.00 0.00 176.35 174.98 1h9j s LEU 29 N 1.65 3.06 0.00 -0.68 1.43 0.12 -2.41 118.68 121.86 1h9j s LEU 29 Ca 0.05 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1h9j s LEU 29 Cb -0.18 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.33 1h9j s LEU 29 CO 0.08 -1.21 0.15 0.61 0.23 0.00 0.00 176.35 176.21 1h9j n GLY 30 N -2.79 -1.10 0.00 -3.19 0.00 -1.25 -1.05 105.19 95.81 1h9j n GLY 30 Ca 0.06 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1h9j n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h9j n GLY 31 N -0.49 -0.24 0.00 -0.02 0.00 -1.26 -4.69 105.19 98.48 1h9j n GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h9j n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h9j n GLY 32 N -1.21 0.80 3.77 -0.02 0.00 -0.22 -4.22 105.19 104.09 1h9j n GLY 32 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1h9j n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h9j s ASP 33 N -1.78 6.15 -0.10 1.61 1.01 -1.25 -4.74 116.67 117.56 1h9j s ASP 33 Ca 0.00 2.41 -0.02 0.00 0.71 0.00 0.00 52.55 55.65 1h9j s ASP 33 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1h9j s ASP 33 CO 0.00 -0.94 -0.03 -1.59 0.21 0.00 0.00 175.17 172.81 1h9j s LYS 34 N -2.59 3.13 -0.03 8.23 -2.85 -1.26 0.14 119.74 124.51 1h9j s LYS 34 Ca 0.62 -0.49 -0.00 0.00 -1.00 0.00 0.00 55.97 55.10 1h9j s LYS 34 Cb -0.31 -2.77 0.03 0.00 -2.06 0.00 0.00 37.83 32.72 1h9j s LYS 34 CO 0.39 0.54 0.02 -1.17 0.10 0.00 0.00 175.35 175.23 1h9j s LEU 35 N -0.45 0.86 -0.14 2.77 2.96 -0.42 -4.96 118.68 119.29 1h9j s LEU 35 Ca 0.07 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.92 1h9j s LEU 35 Cb -0.12 -0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.35 1h9j s LEU 35 CO 0.02 -0.15 0.14 0.00 -1.32 0.00 0.00 176.35 175.04 1h9j s ALA 36 N 1.38 3.81 0.11 5.97 0.00 -1.26 -0.85 121.76 130.91 1h9j s ALA 36 Ca -0.05 -0.65 0.09 0.00 0.00 0.00 0.00 51.96 51.36 1h9j s ALA 36 Cb -0.13 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 1h9j s ALA 36 CO -0.03 0.47 -0.23 0.00 0.00 0.00 0.00 175.76 175.97 1h9j s ALA 37 N -0.58 2.01 -0.14 0.00 0.00 0.16 -4.37 121.76 118.85 1h9j s ALA 37 Ca 0.13 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1h9j s ALA 37 Cb -0.12 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1h9j s ALA 37 CO 0.02 0.43 -0.18 0.08 0.00 0.00 0.00 175.76 176.12 1h9j s VAL 38 N -1.09 1.76 0.27 0.00 1.01 -0.52 -0.06 120.40 121.77 1h9j s VAL 38 Ca 0.09 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1h9j s VAL 38 Cb -0.10 -1.60 -0.06 0.00 0.00 0.00 0.00 36.38 34.63 1h9j s VAL 38 CO 0.05 0.49 -0.03 0.68 0.00 0.00 0.00 175.10 176.29 1h9j s VAL 39 N 1.12 1.39 0.80 2.92 -7.23 -0.41 -4.53 120.40 114.46 1h9j s VAL 39 Ca -0.02 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 57.96 1h9j s VAL 39 Cb -0.14 -2.45 0.07 0.00 0.56 0.00 0.00 36.38 34.43 1h9j s VAL 39 CO -0.06 -0.28 1.12 0.42 -0.31 0.00 0.00 175.10 175.99 1h9j s THR 40 N -3.18 2.90 0.23 5.32 -4.23 -1.26 -0.53 115.64 114.89 1h9j s THR 40 Ca 0.30 0.31 -0.08 0.00 -1.18 0.00 0.00 61.69 61.04 1h9j s THR 40 Cb 0.05 -2.68 0.19 0.00 1.34 0.00 0.00 72.50 71.40 1h9j s THR 40 CO 0.11 -0.36 1.87 0.25 -0.54 0.00 0.00 174.62 175.95 1h9j h LEU 41 N -1.16 0.85 -0.69 4.79 5.85 -1.50 -0.73 115.31 122.72 1h9j h LEU 41 Ca -0.44 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.40 1h9j h LEU 41 Cb 1.25 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.01 1h9j h LEU 41 CO 0.49 0.58 0.24 -0.08 -0.34 0.00 0.00 178.44 179.33 1h9j h GLU 42 N 1.00 0.38 -0.34 1.25 4.57 -1.91 0.03 114.58 119.55 1h9j h GLU 42 Ca 0.33 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.35 1h9j h GLU 42 Cb 0.03 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1h9j h GLU 42 CO -0.12 0.25 -0.35 0.77 -1.18 0.00 0.00 179.01 178.38 1h9j h SER 43 N 0.39 0.82 -0.78 1.04 0.02 -1.63 -0.69 113.55 112.72 1h9j h SER 43 Ca 0.37 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1h9j h SER 43 Cb 0.53 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 1h9j h SER 43 CO -0.38 1.09 0.38 0.00 -1.14 0.00 0.00 176.83 176.78 1h9j h ALA 44 N 0.95 1.18 0.15 3.77 0.00 0.14 0.10 119.26 125.56 1h9j h ALA 44 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1h9j h ALA 44 Cb 0.89 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1h9j h ALA 44 CO 0.08 0.63 -0.07 0.00 0.00 0.00 0.00 179.25 179.88 1h9j h ARG 45 N 1.13 -0.20 -0.61 0.00 3.08 -0.91 -1.98 114.38 114.89 1h9j h ARG 45 Ca 0.27 0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.25 1h9j h ARG 45 Cb 0.11 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1h9j h ARG 45 CO -0.04 0.16 0.04 1.03 -1.07 0.00 0.00 179.97 180.09 1h9j h SER 46 N -0.60 1.03 0.52 7.04 0.87 -0.90 -1.02 113.55 120.49 1h9j h SER 46 Ca -0.02 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1h9j h SER 46 Cb 0.45 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1h9j h SER 46 CO 0.03 1.06 0.00 0.18 -0.53 0.00 0.00 176.83 177.58 1h9j n LEU 47 N -4.22 0.00 -3.14 2.23 4.77 0.00 -4.93 117.00 111.71 1h9j n LEU 47 Ca 0.03 0.39 -0.19 0.00 -0.03 0.00 0.00 56.01 56.21 1h9j n LEU 47 Cb 0.33 -0.39 0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1h9j n LEU 47 CO 0.44 -0.13 0.18 0.00 -1.33 0.00 0.00 177.39 176.55 1h9j n GLN 48 N -1.39 -6.52 -2.04 3.23 6.02 -0.39 -4.94 117.38 111.35 1h9j n GLN 48 Ca 0.07 0.72 -0.37 0.00 -0.01 0.00 0.00 57.00 57.41 1h9j n GLN 48 Cb 0.19 -5.41 0.02 0.00 1.02 0.00 0.00 30.24 26.07 1h9j n GLN 48 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1h9j s LEU 49 N -6.22 3.84 -0.10 1.08 1.43 -0.76 -5.03 118.68 112.91 1h9j s LEU 49 Ca 0.36 2.46 -0.30 0.00 -1.03 0.00 0.00 54.13 55.61 1h9j s LEU 49 Cb -0.16 -4.39 0.11 0.00 0.03 0.00 0.00 46.19 41.78 1h9j s LEU 49 CO 0.63 -1.34 0.88 0.00 0.23 0.00 0.00 176.35 176.74 1h9j s ALA 50 N -1.50 -1.86 0.35 4.21 0.00 -1.26 -4.96 121.76 116.73 1h9j s ALA 50 Ca 0.71 1.43 -0.29 0.00 0.00 0.00 0.00 51.96 53.81 1h9j s ALA 50 Cb -0.32 -0.35 -0.11 0.00 0.00 0.00 0.00 23.12 22.33 1h9j s ALA 50 CO 0.37 -0.37 1.52 0.00 0.00 0.00 0.00 175.76 177.28 1h9j s ALA 51 N -1.37 3.62 0.00 0.00 0.00 -1.26 -2.20 121.76 120.55 1h9j s ALA 51 Ca -0.04 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1h9j s ALA 51 Cb -0.00 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1h9j s ALA 51 CO 0.03 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1h9j n GLY 52 N 0.92 1.09 3.87 0.00 0.00 0.13 -4.97 105.19 106.23 1h9j n GLY 52 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1h9j n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h9j s LYS 53 N -0.89 3.81 0.10 1.61 0.00 -0.94 -4.72 119.74 118.71 1h9j s LYS 53 Ca 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 55.97 56.21 1h9j s LYS 53 Cb 0.00 -2.44 -0.07 0.00 0.00 0.00 0.00 37.83 35.32 1h9j s LYS 53 CO 0.00 0.04 0.63 -1.21 0.00 0.00 0.00 175.35 174.82 1h9j s GLU 54 N -3.60 4.31 0.16 1.78 0.41 -1.26 -1.16 118.70 119.34 1h9j s GLU 54 Ca 0.51 0.86 -0.01 0.00 -0.41 0.00 0.00 54.97 55.93 1h9j s GLU 54 Cb -0.10 -3.24 -0.04 0.00 -1.78 0.00 0.00 34.13 28.96 1h9j s GLU 54 CO 0.28 0.62 0.07 0.14 -0.49 0.00 0.00 175.26 175.88 1h9j s VAL 55 N -1.12 0.17 -0.05 2.63 -7.23 -0.43 -4.62 120.40 109.74 1h9j s VAL 55 Ca 0.31 -1.94 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 1h9j s VAL 55 Cb -0.21 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1h9j s VAL 55 CO 0.21 -0.33 -0.15 0.68 -0.31 0.00 0.00 175.10 175.20 1h9j s VAL 56 N -4.02 3.02 -0.12 1.32 -7.23 -0.06 -1.09 120.40 112.23 1h9j s VAL 56 Ca 0.28 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.72 1h9j s VAL 56 Cb 0.07 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1h9j s VAL 56 CO 0.05 0.59 -0.16 0.00 -0.31 0.00 0.00 175.10 175.27 1h9j s ALA 57 N -0.73 2.50 -0.17 1.32 0.00 0.15 -1.23 121.76 123.60 1h9j s ALA 57 Ca 0.11 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1h9j s ALA 57 Cb -0.11 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.94 1h9j s ALA 57 CO 0.00 0.28 -0.18 0.08 0.00 0.00 0.00 175.76 175.94 1h9j s VAL 58 N 0.28 1.92 -0.14 0.00 1.01 0.11 -0.53 120.40 123.06 1h9j s VAL 58 Ca -0.12 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 1h9j s VAL 58 Cb -0.16 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.50 1h9j s VAL 58 CO 0.06 0.52 -0.09 -0.69 0.00 0.00 0.00 175.10 174.90 1h9j s VAL 59 N 1.33 1.23 0.52 2.92 1.01 -0.08 -1.70 120.40 125.62 1h9j s VAL 59 Ca 0.05 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 1h9j s VAL 59 Cb -0.13 -1.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.93 1h9j s VAL 59 CO -0.12 0.32 1.21 -0.75 0.00 0.00 0.00 175.10 175.75 1h9j s LYS 60 N 1.61 3.40 0.19 2.72 2.20 -1.26 -2.80 119.74 125.79 1h9j s LYS 60 Ca 0.03 1.86 -0.14 0.00 -0.36 0.00 0.00 55.97 57.37 1h9j s LYS 60 Cb -0.14 -2.21 0.18 0.00 -1.51 0.00 0.00 37.83 34.15 1h9j s LYS 60 CO -0.09 -0.87 1.68 0.00 -0.36 0.00 0.00 175.35 175.71 1h9j h ALA 61 N 1.55 0.45 0.00 3.13 0.00 -1.94 -1.31 119.26 121.14 1h9j h ALA 61 Ca -0.50 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1h9j h ALA 61 Cb 1.27 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1h9j h ALA 61 CO 0.58 -0.40 0.00 -0.35 0.00 0.00 0.00 179.25 179.08 1h9j n PRO 62 N -5.25 0.08 0.00 0.00 -0.05 -1.26 -1.93 135.00 126.58 1h9j n PRO 62 Ca 0.05 0.45 0.14 0.00 -0.05 0.00 0.00 63.50 64.09 1h9j n PRO 62 Cb 0.27 -1.70 0.54 0.00 -0.05 0.00 0.00 33.50 32.56 1h9j n PRO 62 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 175.50 176.36 1h9j n TRP 63 N -1.85 0.00 -3.56 0.54 8.01 -0.49 -4.84 117.44 115.24 1h9j n TRP 63 Ca 0.01 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.82 1h9j n TRP 63 Cb 0.10 -0.29 -0.11 0.00 -2.01 0.00 0.00 31.31 29.01 1h9j n TRP 63 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 1h9j s VAL 64 N -2.74 5.29 0.24 -0.99 1.01 -0.82 -4.69 120.40 117.70 1h9j s VAL 64 Ca 0.21 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.35 1h9j s VAL 64 Cb 0.19 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 1h9j s VAL 64 CO 0.54 0.24 0.53 -0.76 0.00 0.00 0.00 175.10 175.64 1h9j s LEU 65 N 1.81 4.13 -0.07 3.92 1.02 -0.29 -4.45 118.68 124.74 1h9j s LEU 65 Ca 0.08 0.78 0.01 0.00 0.02 0.00 0.00 54.13 55.02 1h9j s LEU 65 Cb -0.16 -3.56 -0.03 0.00 0.02 0.00 0.00 46.19 42.46 1h9j s LEU 65 CO 0.11 -0.11 -0.08 -0.76 0.02 0.00 0.00 176.35 175.53 1h9j s LEU 66 N -3.14 3.13 -0.02 1.79 1.43 -1.26 -0.76 118.68 119.85 1h9j s LEU 66 Ca 0.45 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1h9j s LEU 66 Cb -0.11 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 1h9j s LEU 66 CO 0.26 0.35 -0.10 -0.32 0.23 0.00 0.00 176.35 176.77 1h9j s MET 67 N -0.75 0.89 -0.11 1.70 1.75 0.22 -4.95 119.30 118.06 1h9j s MET 67 Ca 0.11 -0.34 0.10 0.00 -1.25 0.00 0.00 55.69 54.31 1h9j s MET 67 Cb -0.11 -0.85 -0.13 0.00 2.84 0.00 0.00 34.83 36.58 1h9j s MET 67 CO 0.01 0.18 0.04 0.25 -0.65 0.00 0.00 175.02 174.85 1h9j n THR 68 N 3.01 0.73 -3.55 10.11 -2.24 -1.26 0.29 114.28 121.37 1h9j n THR 68 Ca -0.15 -0.46 -0.22 0.00 -2.27 0.00 0.00 64.05 60.95 1h9j n THR 68 Cb 0.56 -0.70 -0.15 0.00 -2.10 0.00 0.00 70.33 67.94 1h9j n THR 68 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h9j s ASP 69 N -4.31 1.83 0.35 3.42 3.68 -1.26 -4.94 116.67 115.44 1h9j s ASP 69 Ca -0.05 -0.40 0.18 0.00 2.13 0.00 0.00 52.55 54.40 1h9j s ASP 69 Cb 0.03 0.08 0.49 0.00 -1.45 0.00 0.00 42.92 42.07 1h9j s ASP 69 CO 0.44 -0.34 1.64 0.77 0.13 0.00 0.00 175.17 177.82 1h9j h SER 70 N 8.36 0.00 -5.90 -0.34 4.64 -1.93 -3.48 113.55 114.91 1h9j h SER 70 Ca -0.16 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.72 1h9j h SER 70 Cb 1.15 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1h9j h SER 70 CO 0.28 0.41 -0.70 -0.24 -0.87 0.00 0.00 176.83 175.71 1h9j n SER 71 N -3.41 -5.46 0.00 4.97 2.88 -1.26 -1.18 113.62 110.16 1h9j n SER 71 Ca 0.01 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 1h9j n SER 71 Cb 0.58 -4.34 0.00 0.00 -0.75 0.00 0.00 64.21 59.70 1h9j n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h9j n GLY 72 N -1.75 2.78 3.76 0.46 0.00 -1.26 -5.01 105.19 104.17 1h9j n GLY 72 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1h9j n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h9j s TYR 73 N -2.00 2.66 -0.10 1.61 1.51 -0.33 -5.03 117.35 115.68 1h9j s TYR 73 Ca 0.00 1.50 0.01 0.00 -1.01 0.00 0.00 57.07 57.57 1h9j s TYR 73 Cb 0.00 -3.46 -0.02 0.00 -0.11 0.00 0.00 41.96 38.36 1h9j s TYR 73 CO 0.00 -1.89 -0.11 1.03 -1.11 0.00 0.00 175.55 173.48 1h9j s ARG 74 N -2.91 3.05 0.30 -0.62 0.52 -1.26 -4.91 118.95 113.12 1h9j s ARG 74 Ca 0.68 -0.63 0.08 0.00 -0.52 0.00 0.00 55.73 55.35 1h9j s ARG 74 Cb -0.30 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 1h9j s ARG 74 CO 0.36 0.43 0.12 -0.51 0.02 0.00 0.00 175.30 175.72 1h9j s LEU 75 N -0.19 3.36 0.31 2.53 1.43 -1.26 -5.03 118.68 119.82 1h9j s LEU 75 Ca 0.01 -0.62 0.16 0.00 -1.03 0.00 0.00 54.13 52.65 1h9j s LEU 75 Cb -0.13 -1.88 0.21 0.00 0.03 0.00 0.00 46.19 44.42 1h9j s LEU 75 CO 0.03 -0.17 1.51 0.77 0.23 0.00 0.00 176.35 178.72 1h9j h SER 76 N 1.62 0.00 -3.44 2.29 4.64 -2.02 -3.45 113.55 113.19 1h9j h SER 76 Ca -0.45 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.34 1h9j h SER 76 Cb 1.25 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.42 1h9j h SER 76 CO 0.61 0.46 0.85 0.00 -0.87 0.00 0.00 176.83 177.88 1h9j s ALA 77 N -3.09 3.70 0.25 5.18 0.00 -1.26 -4.94 121.76 121.60 1h9j s ALA 77 Ca 0.03 1.54 0.10 0.00 0.00 0.00 0.00 51.96 53.63 1h9j s ALA 77 Cb 0.08 -3.63 0.28 0.00 0.00 0.00 0.00 23.12 19.85 1h9j s ALA 77 CO 0.73 -0.96 1.57 0.00 0.00 0.00 0.00 175.76 177.09 1h9j h ARG 78 N 4.57 0.01 -4.76 0.00 -0.00 -1.87 -3.43 114.38 108.89 1h9j h ARG 78 Ca -0.47 -0.01 -0.68 0.00 -0.50 0.00 0.00 59.98 58.32 1h9j h ARG 78 Cb 1.22 0.00 -0.25 0.00 0.00 0.00 0.00 29.97 30.95 1h9j h ARG 78 CO 0.77 0.68 -0.58 -0.80 0.00 0.00 0.00 179.97 180.03 1h9j s ASN 79 N -6.83 5.37 -0.35 7.04 0.01 -0.96 -4.94 114.94 114.28 1h9j s ASN 79 Ca -0.01 -0.69 0.02 0.00 -0.71 0.00 0.00 52.86 51.47 1h9j s ASN 79 Cb 0.12 -1.94 0.11 0.00 0.41 0.00 0.00 41.25 39.95 1h9j s ASN 79 CO 0.77 -0.22 0.11 -0.63 -1.51 0.00 0.00 177.10 175.62 1h9j s ILE 80 N 1.55 1.56 -0.25 0.60 1.01 -1.26 -0.90 121.20 123.51 1h9j s ILE 80 Ca 0.03 -2.03 -0.06 0.00 0.00 0.00 0.00 60.65 58.58 1h9j s ILE 80 Cb -0.17 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1h9j s ILE 80 CO 0.04 -0.69 0.04 -0.76 0.00 0.00 0.00 174.94 173.57 1h9j s LEU 81 N 1.05 3.40 0.07 2.97 1.43 -0.09 -4.91 118.68 122.61 1h9j s LEU 81 Ca 0.12 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 1h9j s LEU 81 Cb -0.20 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.10 1h9j s LEU 81 CO -0.14 -0.08 0.52 0.42 0.23 0.00 0.00 176.35 177.31 1h9j s THR 82 N 1.54 4.85 0.05 5.49 -4.23 -1.26 -0.45 115.64 121.62 1h9j s THR 82 Ca 0.05 1.01 -0.02 0.00 -1.18 0.00 0.00 61.69 61.55 1h9j s THR 82 Cb -0.15 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 69.89 1h9j s THR 82 CO 0.01 0.48 0.10 0.61 -0.54 0.00 0.00 174.62 175.28 1h9j n GLY 83 N 1.50 1.89 3.33 3.99 0.00 -0.00 -4.07 105.19 111.83 1h9j n GLY 83 Ca -0.10 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 1h9j n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h9j s THR 84 N -2.88 2.09 0.12 2.61 -4.23 -0.48 -1.67 115.64 111.21 1h9j s THR 84 Ca 0.02 -1.36 -0.31 0.00 -1.18 0.00 0.00 61.69 58.86 1h9j s THR 84 Cb -0.01 -1.79 -0.08 0.00 1.34 0.00 0.00 72.50 71.96 1h9j s THR 84 CO 0.02 0.36 1.48 -0.69 -0.54 0.00 0.00 174.62 175.24 1h9j s VAL 85 N -0.79 3.08 -0.17 2.29 1.01 -0.35 -0.17 120.40 125.29 1h9j s VAL 85 Ca 0.11 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 62.77 1h9j s VAL 85 Cb -0.10 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 1h9j s VAL 85 CO 0.02 0.05 -0.20 1.17 0.00 0.00 0.00 175.10 176.14 1h9j n LYS 86 N 4.22 0.38 -3.84 2.72 4.81 0.12 -0.43 118.16 126.13 1h9j n LYS 86 Ca 0.13 0.14 -0.13 0.00 -0.87 0.00 0.00 58.31 57.57 1h9j n LYS 86 Cb 0.41 -1.18 -0.15 0.00 0.02 0.00 0.00 35.03 34.13 1h9j n LYS 86 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1h9j s THR 87 N -2.32 -0.00 -0.09 3.15 2.01 -1.09 -4.86 115.64 112.44 1h9j s THR 87 Ca -0.23 0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1h9j s THR 87 Cb 0.08 -0.06 0.01 0.00 0.01 0.00 0.00 72.50 72.55 1h9j s THR 87 CO 0.33 0.04 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.52 1h9j s ILE 88 N 0.45 1.40 -0.17 1.82 1.01 -1.26 -0.84 121.20 123.61 1h9j s ILE 88 Ca -0.04 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1h9j s ILE 88 Cb -0.06 -1.27 0.03 0.00 0.01 0.00 0.00 42.46 41.17 1h9j s ILE 88 CO -0.01 0.42 -0.15 -0.70 0.00 0.00 0.00 174.94 174.49 1h9j s GLU 89 N 0.79 2.47 0.04 2.79 2.12 -0.65 -4.99 118.70 121.27 1h9j s GLU 89 Ca -0.11 -0.71 -0.19 0.00 0.36 0.00 0.00 54.97 54.32 1h9j s GLU 89 Cb -0.16 -2.32 -0.06 0.00 0.26 0.00 0.00 34.13 31.85 1h9j s GLU 89 CO 0.02 -0.27 0.56 0.99 -0.54 0.00 0.00 175.26 176.02 1h9j s THR 90 N 1.40 4.83 0.00 -1.70 2.01 -1.26 -1.56 115.64 119.36 1h9j s THR 90 Ca 0.04 1.18 0.00 0.00 0.31 0.00 0.00 61.69 63.22 1h9j s THR 90 Cb -0.14 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.49 1h9j s THR 90 CO -0.11 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 1h9j n GLY 91 N 1.99 2.82 0.11 4.40 0.00 0.17 -4.99 105.19 109.69 1h9j n GLY 91 Ca -0.10 -1.75 -0.21 0.00 0.00 0.00 0.00 46.02 43.97 1h9j n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h9j n ALA 92 N -3.00 0.90 -0.06 4.61 0.00 -1.26 -4.75 120.51 116.95 1h9j n ALA 92 Ca 0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 53.44 52.62 1h9j n ALA 92 Cb 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 1h9j n ALA 92 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1h9j n VAL 93 N -4.40 0.76 -3.38 0.00 0.24 -1.26 -4.93 118.33 105.37 1h9j n VAL 93 Ca -0.34 -0.39 -0.20 0.00 -2.04 0.00 0.00 64.34 61.36 1h9j n VAL 93 Cb 0.68 -0.83 -0.01 0.00 -1.47 0.00 0.00 33.84 32.21 1h9j n VAL 93 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1h9j s ASN 94 N -4.76 5.20 0.02 -1.34 0.01 -1.26 -0.43 114.94 112.38 1h9j s ASN 94 Ca -0.11 -0.70 -0.10 0.00 -0.71 0.00 0.00 52.86 51.24 1h9j s ASN 94 Cb 0.04 -0.45 0.01 0.00 0.41 0.00 0.00 41.25 41.26 1h9j s ASN 94 CO 0.39 -0.78 0.21 0.00 -1.51 0.00 0.00 177.10 175.41 1h9j s ALA 95 N -2.48 -0.45 -0.26 0.60 0.00 -0.08 0.45 121.76 119.54 1h9j s ALA 95 Ca 0.50 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 1h9j s ALA 95 Cb -0.05 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1h9j s ALA 95 CO 0.30 -0.30 0.09 -1.21 0.00 0.00 0.00 175.76 174.64 1h9j s GLU 96 N -1.96 3.61 -0.13 0.00 2.02 -0.60 -1.28 118.70 120.36 1h9j s GLU 96 Ca -0.10 -0.51 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 1h9j s GLU 96 Cb -0.04 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 1h9j s GLU 96 CO -0.01 -0.23 -0.11 0.08 0.02 0.00 0.00 175.26 175.02 1h9j s VAL 97 N 1.62 3.22 -0.16 2.63 1.01 0.15 -1.63 120.40 127.24 1h9j s VAL 97 Ca 0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1h9j s VAL 97 Cb -0.15 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1h9j s VAL 97 CO 0.04 0.52 -0.05 -0.89 0.00 0.00 0.00 175.10 174.72 1h9j s THR 98 N 0.28 3.66 0.08 3.92 2.01 -0.02 -0.45 115.64 125.12 1h9j s THR 98 Ca -0.08 -0.43 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1h9j s THR 98 Cb -0.15 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1h9j s THR 98 CO 0.05 0.48 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.68 1h9j s LEU 99 N 0.56 3.35 -0.21 4.42 1.43 0.88 -0.70 118.68 128.40 1h9j s LEU 99 Ca -0.04 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 1h9j s LEU 99 Cb -0.15 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 1h9j s LEU 99 CO 0.03 0.19 0.12 0.00 0.23 0.00 0.00 176.35 176.91 1h9j s ALA 100 N -1.25 3.57 0.34 4.21 0.00 0.76 -1.37 121.76 128.02 1h9j s ALA 100 Ca 0.24 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1h9j s ALA 100 Cb -0.11 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1h9j s ALA 100 CO 0.16 0.05 0.54 -0.51 0.00 0.00 0.00 175.76 176.00 1h9j s LEU 101 N 0.58 4.02 0.02 0.00 1.43 0.13 -1.38 118.68 123.49 1h9j s LEU 101 Ca 0.06 0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 53.27 1h9j s LEU 101 Cb -0.12 -3.27 -0.07 0.00 0.03 0.00 0.00 46.19 42.76 1h9j s LEU 101 CO 0.00 -0.29 1.74 -1.58 0.23 0.00 0.00 176.35 176.45 1h9j s GLN 102 N -4.30 4.18 0.00 1.70 0.74 -1.26 -1.50 119.66 119.22 1h9j s GLN 102 Ca 0.40 2.36 0.00 0.00 0.05 0.00 0.00 55.36 58.16 1h9j s GLN 102 Cb -0.10 -3.88 0.00 0.00 1.10 0.00 0.00 33.01 30.13 1h9j s GLN 102 CO 0.35 -0.83 0.00 0.41 -0.55 0.00 0.00 175.29 174.67 1h9j n GLY 103 N 4.19 1.31 0.00 2.59 0.00 -1.26 -4.52 105.19 107.50 1h9j n GLY 103 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1h9j n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h9j n GLY 104 N 0.00 0.96 3.76 -0.02 0.00 -0.56 -4.32 105.19 105.00 1h9j n GLY 104 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1h9j n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h9j s THR 105 N -2.00 3.47 -0.03 2.61 2.01 -1.25 -4.75 115.64 115.71 1h9j s THR 105 Ca 0.00 1.40 0.01 0.00 0.31 0.00 0.00 61.69 63.42 1h9j s THR 105 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1h9j s THR 105 CO 0.00 0.27 -0.03 -1.61 -0.69 0.00 0.00 174.62 172.57 1h9j s GLU 106 N -1.69 2.76 -0.01 4.92 2.02 -1.26 0.21 118.70 125.64 1h9j s GLU 106 Ca 0.48 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 54.92 1h9j s GLU 106 Cb -0.30 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.28 1h9j s GLU 106 CO 0.39 0.64 -0.14 -1.50 0.02 0.00 0.00 175.26 174.67 1h9j s ILE 107 N -0.98 1.13 -0.11 -1.63 2.07 -0.47 -4.96 121.20 116.24 1h9j s ILE 107 Ca 0.17 -0.60 0.01 0.00 -1.41 0.00 0.00 60.65 58.81 1h9j s ILE 107 Cb -0.11 -0.95 -0.02 0.00 0.13 0.00 0.00 42.46 41.51 1h9j s ILE 107 CO 0.07 0.32 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.40 1h9j s THR 108 N -0.26 3.11 -0.02 4.00 2.01 -1.26 -0.09 115.64 123.13 1h9j s THR 108 Ca 0.04 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.46 1h9j s THR 108 Cb -0.06 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 1h9j s THR 108 CO -0.00 0.54 -0.25 -0.55 -0.69 0.00 0.00 174.62 173.67 1h9j s SER 109 N 0.07 2.90 -0.31 3.53 0.15 0.41 -4.43 113.70 116.03 1h9j s SER 109 Ca -0.05 -0.45 -0.10 0.00 0.70 0.00 0.00 55.95 56.05 1h9j s SER 109 Cb -0.14 -0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 63.83 1h9j s SER 109 CO 0.04 0.30 0.16 -0.32 1.20 0.00 0.00 173.24 174.63 1h9j s MET 110 N -0.60 3.45 0.41 5.44 1.75 -0.81 -0.67 119.30 128.27 1h9j s MET 110 Ca 0.10 -0.64 0.04 0.00 -1.25 0.00 0.00 55.69 53.93 1h9j s MET 110 Cb -0.10 -3.59 -0.02 0.00 2.84 0.00 0.00 34.83 33.96 1h9j s MET 110 CO -0.01 -0.37 0.13 0.14 -0.65 0.00 0.00 175.02 174.26 1h9j s VAL 111 N 1.65 0.58 0.62 10.11 -7.23 -0.40 -4.46 120.40 121.27 1h9j s VAL 111 Ca 0.05 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 1h9j s VAL 111 Cb -0.17 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 1h9j s VAL 111 CO 0.07 0.00 1.03 0.42 -0.31 0.00 0.00 175.10 176.31 1h9j s THR 112 N -3.21 4.43 0.34 5.32 -4.23 -1.26 -0.91 115.64 116.13 1h9j s THR 112 Ca 0.24 0.87 0.25 0.00 -1.18 0.00 0.00 61.69 61.86 1h9j s THR 112 Cb 0.02 -3.68 0.25 0.00 1.34 0.00 0.00 72.50 70.43 1h9j s THR 112 CO 0.15 -0.96 1.98 0.07 -0.54 0.00 0.00 174.62 175.32 1h9j h LYS 113 N -0.20 0.00 -0.48 3.99 2.10 -1.00 -2.06 116.57 118.91 1h9j h LYS 113 Ca -0.45 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.13 1h9j h LYS 113 Cb 1.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 1h9j h LYS 113 CO 0.60 0.18 -0.01 0.93 -2.00 0.00 0.00 179.45 179.15 1h9j h GLU 114 N 0.00 0.81 -0.73 0.07 3.07 -1.91 -2.46 114.58 113.42 1h9j h GLU 114 Ca -0.00 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.62 1h9j h GLU 114 Cb 0.48 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 1h9j h GLU 114 CO 0.02 0.82 0.38 0.00 -1.40 0.00 0.00 179.01 178.84 1h9j h ALA 115 N 1.23 0.94 -0.36 3.43 0.00 -1.75 0.20 119.26 122.95 1h9j h ALA 115 Ca 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1h9j h ALA 115 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1h9j h ALA 115 CO 0.02 0.48 0.21 0.28 0.00 0.00 0.00 179.25 180.24 1h9j h VAL 116 N 1.02 1.13 0.33 0.00 2.07 -1.18 -0.49 116.25 119.12 1h9j h VAL 116 Ca 0.26 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1h9j h VAL 116 Cb 0.07 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1h9j h VAL 116 CO -0.04 0.13 -0.16 0.00 0.02 0.00 0.00 177.57 177.53 1h9j h ALA 117 N 1.08 -0.44 -0.87 1.67 0.00 -1.10 -1.88 119.26 117.73 1h9j h ALA 117 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1h9j h ALA 117 Cb 0.03 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1h9j h ALA 117 CO -0.02 -0.73 0.47 0.93 0.00 0.00 0.00 179.25 179.90 1h9j h GLU 118 N -0.48 1.21 0.00 0.00 5.08 -0.88 -2.02 114.58 117.49 1h9j h GLU 118 Ca -0.04 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1h9j h GLU 118 Cb 0.36 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1h9j h GLU 118 CO 0.07 0.89 0.00 -0.07 -1.00 0.00 0.00 179.01 178.90 1h9j h LEU 119 N 1.21 0.00 1.00 1.33 3.38 -1.05 -3.47 115.31 117.72 1h9j h LEU 119 Ca 0.30 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.12 1h9j h LEU 119 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1h9j h LEU 119 CO -0.05 0.00 -0.19 0.61 0.09 0.00 0.00 178.44 178.90 1h9j n GLY 120 N 0.71 0.18 3.76 0.83 0.00 -0.74 -4.97 105.19 104.97 1h9j n GLY 120 Ca 0.04 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 1h9j n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h9j s LEU 121 N -2.17 3.90 -0.21 0.99 1.43 -0.97 -5.00 118.68 116.64 1h9j s LEU 121 Ca 0.00 2.42 -0.29 0.00 -1.03 0.00 0.00 54.13 55.23 1h9j s LEU 121 Cb 0.00 -4.33 0.15 0.00 0.03 0.00 0.00 46.19 42.04 1h9j s LEU 121 CO 0.00 -1.21 1.13 -1.59 0.23 0.00 0.00 176.35 174.91 1h9j s LYS 122 N -2.89 0.40 0.01 1.70 -2.85 -1.26 -4.93 119.74 109.91 1h9j s LYS 122 Ca 0.68 0.14 -0.37 0.00 -1.00 0.00 0.00 55.97 55.42 1h9j s LYS 122 Cb -0.31 0.19 -0.16 0.00 -2.06 0.00 0.00 37.83 35.48 1h9j s LYS 122 CO 0.37 -0.12 1.46 -2.30 0.10 0.00 0.00 175.35 174.86 1h9j n PRO 123 N 0.82 1.25 0.00 1.78 -0.02 -1.26 -1.21 135.00 136.36 1h9j n PRO 123 Ca -0.07 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1h9j n PRO 123 Cb 0.58 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1h9j n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h9j n GLY 124 N 3.00 2.92 3.75 -1.23 0.00 0.42 -4.94 105.19 109.11 1h9j n GLY 124 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1h9j n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h9j s ALA 125 N -2.42 2.72 0.17 4.61 0.00 -0.35 -4.62 121.76 121.87 1h9j s ALA 125 Ca 0.00 1.16 -0.23 0.00 0.00 0.00 0.00 51.96 52.88 1h9j s ALA 125 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1h9j s ALA 125 CO 0.00 -1.21 0.75 -1.12 0.00 0.00 0.00 175.76 174.18 1h9j s SER 126 N -1.26 7.28 0.08 0.00 0.01 -1.26 -1.22 113.70 117.34 1h9j s SER 126 Ca 0.73 1.56 -0.26 0.00 1.31 0.00 0.00 55.95 59.30 1h9j s SER 126 Cb -0.35 -2.47 0.07 0.00 0.21 0.00 0.00 66.02 63.48 1h9j s SER 126 CO 0.40 0.17 0.65 0.00 0.41 0.00 0.00 173.24 174.87 1h9j s ALA 127 N -1.24 -1.67 0.04 1.44 0.00 -0.67 -4.78 121.76 114.88 1h9j s ALA 127 Ca 0.37 0.78 0.03 0.00 0.00 0.00 0.00 51.96 53.14 1h9j s ALA 127 Cb -0.21 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1h9j s ALA 127 CO 0.24 -0.64 -0.01 -1.12 0.00 0.00 0.00 175.76 174.23 1h9j s SER 128 N -2.25 4.97 -0.12 0.00 0.01 0.15 -0.82 113.70 115.64 1h9j s SER 128 Ca -0.02 -0.11 -0.17 0.00 1.31 0.00 0.00 55.95 56.96 1h9j s SER 128 Cb -0.01 -1.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 1h9j s SER 128 CO -0.06 0.24 0.44 0.00 0.41 0.00 0.00 173.24 174.27 1h9j s ALA 129 N -1.16 3.51 -0.21 1.44 0.00 0.40 -0.61 121.76 125.14 1h9j s ALA 129 Ca 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 1h9j s ALA 129 Cb -0.11 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.44 1h9j s ALA 129 CO 0.13 0.06 -0.13 0.08 0.00 0.00 0.00 175.76 175.90 1h9j s VAL 130 N 0.45 2.58 -0.08 0.00 1.01 0.06 -0.92 120.40 123.50 1h9j s VAL 130 Ca 0.24 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1h9j s VAL 130 Cb -0.15 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1h9j s VAL 130 CO 0.09 0.42 -0.07 -0.63 0.00 0.00 0.00 175.10 174.92 1h9j s ILE 131 N 1.34 0.82 0.35 2.22 1.01 -0.08 -1.14 121.20 125.73 1h9j s ILE 131 Ca 0.04 -0.22 -0.28 0.00 0.00 0.00 0.00 60.65 60.18 1h9j s ILE 131 Cb -0.14 -0.83 -0.10 0.00 0.01 0.00 0.00 42.46 41.39 1h9j s ILE 131 CO -0.08 0.31 1.37 -0.54 0.00 0.00 0.00 174.94 175.99 1h9j s LYS 132 N 1.28 4.23 0.49 2.79 1.02 -1.26 -2.25 119.74 126.03 1h9j s LYS 132 Ca -0.04 2.33 0.26 0.00 0.02 0.00 0.00 55.97 58.54 1h9j s LYS 132 Cb -0.14 -3.00 1.24 0.00 -0.52 0.00 0.00 37.83 35.41 1h9j s LYS 132 CO -0.03 -0.34 1.98 0.00 -0.92 0.00 0.00 175.35 176.04 1h9j h ALA 133 N 3.17 1.19 0.00 5.17 0.00 -1.94 0.13 119.26 126.98 1h9j h ALA 133 Ca -0.50 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1h9j h ALA 133 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1h9j h ALA 133 CO 0.65 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.98 1h9j n SER 134 N -3.57 0.00 -1.18 0.00 3.41 -1.26 -1.44 113.62 109.58 1h9j n SER 134 Ca -0.01 -0.13 0.08 0.00 -0.26 0.00 0.00 58.87 58.55 1h9j n SER 134 Cb 0.31 -0.22 0.29 0.00 -0.26 0.00 0.00 64.21 64.34 1h9j n SER 134 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1h9j n ASN 135 N -1.22 4.27 -4.36 4.04 3.02 0.03 -4.88 115.26 116.18 1h9j n ASN 135 Ca 0.10 -2.73 -0.36 0.00 -0.03 0.00 0.00 54.58 51.57 1h9j n ASN 135 Cb 0.13 -0.53 -0.13 0.00 -0.61 0.00 0.00 39.78 38.63 1h9j n ASN 135 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h9j s VAL 136 N -2.34 3.70 -0.06 2.41 1.01 -0.89 -4.69 120.40 119.55 1h9j s VAL 136 Ca 0.43 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1h9j s VAL 136 Cb 0.32 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1h9j s VAL 136 CO 0.14 0.39 0.44 -0.63 0.00 0.00 0.00 175.10 175.45 1h9j s ILE 137 N 1.52 5.10 0.11 2.22 1.01 -0.69 -4.49 121.20 125.98 1h9j s ILE 137 Ca 0.06 0.89 0.04 0.00 0.00 0.00 0.00 60.65 61.64 1h9j s ILE 137 Cb -0.15 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1h9j s ILE 137 CO -0.01 0.45 0.10 -0.76 0.00 0.00 0.00 174.94 174.72 1h9j s LEU 138 N -0.22 3.80 0.03 2.97 1.43 -1.26 0.07 118.68 125.50 1h9j s LEU 138 Ca 0.24 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.35 1h9j s LEU 138 Cb -0.16 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 1h9j s LEU 138 CO 0.12 0.13 -0.16 -0.83 0.23 0.00 0.00 176.35 175.84 1h9j s GLY 139 N -2.65 0.88 -0.02 -3.19 0.00 -0.36 -4.98 107.32 97.00 1h9j s GLY 139 Ca 0.30 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 44.18 1h9j s GLY 139 CO 0.22 -0.81 -0.10 -1.34 0.00 0.00 0.00 173.10 171.08 1h9j s VAL 140 N -0.74 0.81 0.61 1.40 -7.23 -1.26 -0.88 120.40 113.10 1h9j s VAL 140 Ca 0.04 -0.40 -0.19 0.00 -1.81 0.00 0.00 61.98 59.62 1h9j s VAL 140 Cb -0.08 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 36.13 1h9j s VAL 140 CO 0.01 0.24 1.26 -2.16 -0.31 0.00 0.00 175.10 174.15 1h9j s PRO 141 N 0.01 2.83 0.00 4.82 0.04 -1.26 -5.04 135.00 136.40 1h9j s PRO 141 Ca -0.00 1.99 0.25 0.00 0.04 0.00 0.00 61.00 63.27 1h9j s PRO 141 Cb -0.07 -1.95 0.38 0.00 0.04 0.00 0.00 34.50 32.90 1h9j s PRO 141 CO 0.00 -1.36 1.37 0.00 0.04 0.00 0.00 177.00 177.05