#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 s ASP -7 N 0.00 5.46 0.56 6.43 3.68 -1.26 -4.84 116.67 126.70 3d29 s ASP -7 Ca 0.00 1.29 0.30 0.00 2.13 0.00 0.00 52.55 56.26 3d29 s ASP -7 Cb 0.00 -2.52 1.46 0.00 -1.45 0.00 0.00 42.92 40.41 3d29 s ASP -7 CO 0.00 -2.06 1.89 -0.65 0.13 0.00 0.00 175.17 174.49 3d29 h PRO -6 N 14.81 0.00 -0.03 4.34 0.11 -2.02 0.56 132.00 149.77 3d29 h PRO -6 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3d29 h PRO -6 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3d29 h PRO -6 CO 1.06 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.28 3d29 n SER -5 N -4.00 0.29 -0.05 -2.05 7.64 -1.26 -3.61 113.62 110.58 3d29 n SER -5 Ca 0.13 -1.45 0.01 0.00 1.01 0.00 0.00 58.87 58.56 3d29 n SER -5 Cb 0.80 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.99 3d29 n SER -5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3d29 n SER -4 N -0.61 1.00 -0.04 6.43 7.64 0.18 -4.64 113.62 123.58 3d29 n SER -4 Ca 0.15 -1.65 -0.14 0.00 1.01 0.00 0.00 58.87 58.24 3d29 n SER -4 Cb 0.11 -0.05 -0.11 0.00 -1.01 0.00 0.00 64.21 63.15 3d29 n SER -4 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3d29 h ILE -3 N 1.87 1.57 0.04 0.44 1.08 -1.61 -3.40 117.51 117.50 3d29 h ILE -3 Ca 0.00 -1.76 -0.36 0.00 -0.39 0.00 0.00 64.86 62.35 3d29 h ILE -3 Cb 0.83 2.73 -0.05 0.00 -3.07 0.00 0.00 36.82 37.26 3d29 h ILE -3 CO 0.00 0.47 -2.18 0.59 -0.69 0.00 0.00 178.15 176.34 3d29 n ASN -2 N -4.68 1.51 0.00 1.72 5.03 -1.25 -1.36 115.26 116.23 3d29 n ASN -2 Ca -0.09 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3d29 n ASN -2 Cb 0.40 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 38.89 3d29 n ASN -2 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d29 n GLY -1 N 1.97 -1.66 0.00 7.41 0.00 -1.26 -1.87 105.19 109.78 3d29 n GLY -1 Ca -0.34 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3d29 n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d29 n GLY 1 N -2.11 3.96 3.11 -0.02 0.00 -1.11 -4.70 105.19 104.33 3d29 n GLY 1 Ca 0.00 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.31 3d29 n GLY 1 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3d29 s ILE 2 N -2.30 0.18 -0.01 -0.61 -5.25 -1.26 -2.10 121.20 109.84 3d29 s ILE 2 Ca 0.00 -1.46 -0.06 0.00 -0.99 0.00 0.00 60.65 58.14 3d29 s ILE 2 Cb 0.00 -1.27 0.00 0.00 2.95 0.00 0.00 42.46 44.14 3d29 s ILE 2 CO 0.00 -0.81 0.12 -0.69 -1.79 0.00 0.00 174.94 171.78 3d29 s VAL 3 N -3.49 0.06 -0.10 8.37 1.01 -0.41 -2.63 120.40 123.21 3d29 s VAL 3 Ca 0.03 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 3d29 s VAL 3 Cb 0.04 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 36.11 3d29 s VAL 3 CO -0.09 -0.27 0.35 0.54 0.00 0.00 0.00 175.10 175.63 3d29 s VAL 4 N -0.92 0.02 0.03 2.92 0.11 -0.45 -1.37 120.40 120.74 3d29 s VAL 4 Ca -0.10 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 58.84 3d29 s VAL 4 Cb -0.06 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 3d29 s VAL 4 CO 0.01 -0.08 -0.10 0.00 -3.33 0.00 0.00 175.10 171.59 3d29 s ALA 5 N -0.29 0.84 0.01 1.54 0.00 0.15 -0.23 121.76 123.78 3d29 s ALA 5 Ca -0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 3d29 s ALA 5 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3d29 s ALA 5 CO 0.02 0.13 0.01 -1.64 0.00 0.00 0.00 175.76 174.28 3d29 s MET 6 N -1.02 0.27 0.04 0.00 -1.94 0.14 -1.00 119.30 115.80 3d29 s MET 6 Ca -0.01 -0.42 -0.00 0.00 -1.71 0.00 0.00 55.69 53.54 3d29 s MET 6 Cb -0.07 0.10 -0.04 0.00 2.01 0.00 0.00 34.83 36.83 3d29 s MET 6 CO 0.01 -0.05 0.17 0.95 -0.01 0.00 0.00 175.02 176.08 3d29 s THR 7 N -1.10 5.19 0.00 2.05 -4.23 -0.49 -0.05 115.64 117.01 3d29 s THR 7 Ca -0.12 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 3d29 s THR 7 Cb -0.07 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.29 3d29 s THR 7 CO -0.00 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 3d29 n GLY 8 N 0.61 4.97 3.60 3.99 0.00 0.13 -4.69 105.19 113.80 3d29 n GLY 8 Ca -0.08 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 3d29 n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d29 s LYS 9 N 0.33 3.61 -1.36 1.61 2.47 0.64 -3.53 119.74 123.52 3d29 s LYS 9 Ca 0.00 0.78 -0.09 0.00 -1.56 0.00 0.00 55.97 55.10 3d29 s LYS 9 Cb 0.00 -3.99 0.06 0.00 -1.46 0.00 0.00 37.83 32.44 3d29 s LYS 9 CO 0.00 -1.53 0.55 -0.25 0.16 0.00 0.00 175.35 174.28 3d29 n ASP 10 N 8.55 -4.18 -3.59 1.43 10.43 -1.26 -4.66 116.55 123.27 3d29 n ASP 10 Ca 0.15 -0.42 -0.10 0.00 2.57 0.00 0.00 54.79 56.99 3d29 n ASP 10 Cb 0.48 -3.43 -0.02 0.00 1.84 0.00 0.00 41.12 39.99 3d29 n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3d29 s VAL 12 N -3.81 0.07 -0.00 0.00 -7.23 -0.61 -0.69 120.40 108.12 3d29 s VAL 12 Ca 0.05 -0.60 0.05 0.00 -1.81 0.00 0.00 61.98 59.67 3d29 s VAL 12 Cb -0.02 -0.27 -0.01 0.00 0.56 0.00 0.00 36.38 36.63 3d29 s VAL 12 CO -0.06 -0.33 -0.16 0.00 -0.31 0.00 0.00 175.10 174.24 3d29 s ALA 13 N -1.04 1.36 -0.01 1.32 0.00 0.93 -0.58 121.76 123.74 3d29 s ALA 13 Ca -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3d29 s ALA 13 Cb -0.07 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.75 3d29 s ALA 13 CO 0.00 0.32 0.01 -1.50 0.00 0.00 0.00 175.76 174.59 3d29 s ILE 14 N -0.48 0.02 0.10 0.00 2.07 -0.97 0.27 121.20 122.22 3d29 s ILE 14 Ca 0.06 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 3d29 s ILE 14 Cb -0.07 -0.10 -0.04 0.00 0.13 0.00 0.00 42.46 42.38 3d29 s ILE 14 CO -0.00 0.07 -0.01 0.00 -1.91 0.00 0.00 174.94 173.08 3d29 s ALA 15 N 0.61 0.88 0.16 1.50 0.00 0.69 -1.03 121.76 124.56 3d29 s ALA 15 Ca -0.05 -1.38 -0.17 0.00 0.00 0.00 0.00 51.96 50.36 3d29 s ALA 15 Cb -0.08 0.43 0.03 0.00 0.00 0.00 0.00 23.12 23.50 3d29 s ALA 15 CO -0.02 -0.35 0.45 0.00 0.00 0.00 0.00 175.76 175.85 3d29 n ASP 17 N -0.28 0.75 0.00 0.00 3.85 -1.08 -1.03 116.55 118.76 3d29 n ASP 17 Ca -0.13 -1.77 0.00 0.00 -0.71 0.00 0.00 54.79 52.18 3d29 n ASP 17 Cb 0.63 -0.70 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 3d29 n ASP 17 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3d29 n LEU 18 N 0.00 1.43 -4.78 -2.12 4.77 -0.80 -4.47 117.00 111.03 3d29 n LEU 18 Ca 0.15 -1.43 -0.37 0.00 -0.03 0.00 0.00 56.01 54.32 3d29 n LEU 18 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3d29 n LEU 18 CO 0.36 0.36 0.77 -0.60 -1.33 0.00 0.00 177.39 176.94 3d29 s ARG 19 N -0.48 4.04 -0.26 3.23 3.52 -0.97 -1.42 118.95 126.61 3d29 s ARG 19 Ca 0.00 1.60 -0.02 0.00 -0.13 0.00 0.00 55.73 57.19 3d29 s ARG 19 Cb 0.00 -2.51 0.13 0.00 -1.56 0.00 0.00 34.95 31.01 3d29 s ARG 19 CO 0.00 -0.27 0.30 -1.17 -0.81 0.00 0.00 175.30 173.36 3d29 s LEU 20 N -2.74 -0.33 0.00 -0.88 1.98 -0.70 -4.67 118.68 111.34 3d29 s LEU 20 Ca 0.59 -0.40 0.01 0.00 -2.89 0.00 0.00 54.13 51.44 3d29 s LEU 20 Cb -0.24 0.64 -0.00 0.00 0.66 0.00 0.00 46.19 47.25 3d29 s LEU 20 CO 0.30 -0.35 0.03 0.61 -1.89 0.00 0.00 176.35 175.04 3d29 n GLY 21 N 5.33 3.72 2.67 7.98 0.00 -0.78 -1.02 105.19 123.08 3d29 n GLY 21 Ca -0.03 -2.24 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 3d29 n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d29 s SER 22 N -2.78 3.78 1.82 1.61 0.15 0.70 -3.91 113.70 115.07 3d29 s SER 22 Ca 0.04 -1.78 0.00 0.00 0.70 0.00 0.00 55.95 54.91 3d29 s SER 22 Cb 0.00 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 3d29 s SER 22 CO 0.03 -0.39 0.00 0.00 1.20 0.00 0.00 173.24 174.08 3d29 n GLN 23 N 4.65 0.00 0.08 5.44 1.13 -0.46 -1.61 117.38 126.62 3d29 n GLN 23 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 3d29 n GLN 23 Cb 0.40 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.70 3d29 n GLN 23 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3d29 h SER 24 N 0.00 0.15 -2.57 1.08 4.64 -1.96 -3.45 113.55 111.45 3d29 h SER 24 Ca 0.00 -0.14 -0.56 0.00 -0.47 0.00 0.00 61.79 60.62 3d29 h SER 24 Cb 0.00 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 3d29 h SER 24 CO 0.00 1.01 1.28 -0.22 -0.87 0.00 0.00 176.83 178.03 3d29 s LEU 25 N -7.14 3.47 0.13 5.97 2.96 -0.63 -4.98 118.68 118.46 3d29 s LEU 25 Ca -0.01 1.09 -0.30 0.00 -0.22 0.00 0.00 54.13 54.69 3d29 s LEU 25 Cb 0.10 -3.32 -0.07 0.00 0.50 0.00 0.00 46.19 43.39 3d29 s LEU 25 CO 0.83 -1.82 1.26 -0.83 -1.32 0.00 0.00 176.35 174.46 3d29 s GLY 26 N 6.37 2.40 -0.10 7.98 0.00 -1.26 -0.22 107.32 122.49 3d29 s GLY 26 Ca 0.76 0.97 -0.03 0.00 0.00 0.00 0.00 44.72 46.42 3d29 s GLY 26 CO 0.31 2.06 -0.12 -0.62 0.00 0.00 0.00 173.10 174.73 3d29 n VAL 27 N 3.33 0.56 -4.36 1.40 0.31 -0.19 -4.92 118.33 114.47 3d29 n VAL 27 Ca 0.08 -0.17 -0.18 0.00 -0.01 0.00 0.00 64.34 64.06 3d29 n VAL 27 Cb 0.44 -1.39 -0.15 0.00 -0.91 0.00 0.00 33.84 31.84 3d29 n VAL 27 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3d29 s SER 28 N -5.62 1.04 -0.23 4.52 0.15 -0.55 -5.02 113.70 107.99 3d29 s SER 28 Ca -0.14 -0.16 0.13 0.00 0.70 0.00 0.00 55.95 56.48 3d29 s SER 28 Cb 0.05 -0.12 0.48 0.00 -1.71 0.00 0.00 66.02 64.72 3d29 s SER 28 CO 0.19 0.11 1.40 -0.46 1.20 0.00 0.00 173.24 175.68 3d29 n ASN 29 N 2.86 2.86 -0.26 5.45 2.04 -1.26 -1.72 115.26 125.24 3d29 n ASN 29 Ca -0.13 -3.45 0.03 0.00 -0.44 0.00 0.00 54.58 50.59 3d29 n ASN 29 Cb 0.57 -0.57 0.05 0.00 -2.53 0.00 0.00 39.78 37.29 3d29 n ASN 29 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3d29 n LYS 30 N -0.97 0.69 -2.78 -3.83 5.02 -1.17 -4.78 118.16 110.34 3d29 n LYS 30 Ca 0.26 -1.53 -0.43 0.00 -2.02 0.00 0.00 58.31 54.60 3d29 n LYS 30 Cb 0.92 -0.89 -0.03 0.00 -0.02 0.00 0.00 35.03 35.01 3d29 n LYS 30 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3d29 s PHE 31 N -1.07 2.81 0.38 2.13 5.36 -0.51 -5.00 117.98 122.08 3d29 s PHE 31 Ca 0.11 -0.99 -0.24 0.00 -0.96 0.00 0.00 56.93 54.86 3d29 s PHE 31 Cb 0.10 -4.43 -0.10 0.00 -0.34 0.00 0.00 43.02 38.25 3d29 s PHE 31 CO 0.01 -1.69 0.99 -1.21 -1.46 0.00 0.00 175.22 171.86 3d29 s GLU 32 N 3.80 4.32 0.00 10.12 2.02 -1.26 -4.36 118.70 133.34 3d29 s GLU 32 Ca 0.35 1.34 0.07 0.00 0.02 0.00 0.00 54.97 56.75 3d29 s GLU 32 Cb -0.06 -2.53 0.10 0.00 0.10 0.00 0.00 34.13 31.74 3d29 s GLU 32 CO -0.04 0.03 0.85 1.63 0.02 0.00 0.00 175.26 177.75 3d29 n LYS 33 N -0.02 0.86 -4.21 1.61 5.02 -1.26 -4.99 118.16 115.16 3d29 n LYS 33 Ca 0.05 -1.20 -0.35 0.00 -2.02 0.00 0.00 58.31 54.78 3d29 n LYS 33 Cb 0.51 -1.15 -0.09 0.00 -0.02 0.00 0.00 35.03 34.29 3d29 n LYS 33 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3d29 s ILE 34 N -0.71 4.66 0.24 -0.18 -1.09 -1.26 -0.58 121.20 122.27 3d29 s ILE 34 Ca 0.10 -0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.42 3d29 s ILE 34 Cb 0.06 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 3d29 s ILE 34 CO 0.09 0.59 0.15 -0.36 -1.23 0.00 0.00 174.94 174.18 3d29 s PHE 35 N -0.74 1.35 -0.05 3.97 0.40 0.18 -4.96 117.98 118.13 3d29 s PHE 35 Ca 0.12 -1.38 -0.19 0.00 -0.60 0.00 0.00 56.93 54.88 3d29 s PHE 35 Cb -0.12 -0.67 0.04 0.00 0.51 0.00 0.00 43.02 42.78 3d29 s PHE 35 CO 0.02 -0.60 0.43 -3.38 0.70 0.00 0.00 175.22 172.39 3d29 s HIS 36 N -3.94 -0.36 -0.23 0.36 -3.43 -1.26 0.38 115.29 106.82 3d29 s HIS 36 Ca 0.39 0.67 0.00 0.00 -0.80 0.00 0.00 55.06 55.32 3d29 s HIS 36 Cb 0.06 0.19 0.06 0.00 -1.43 0.00 0.00 32.58 31.46 3d29 s HIS 36 CO 0.15 -0.41 -0.03 0.71 -2.00 0.00 0.00 174.74 173.15 3d29 s TYR 38 N -0.98 2.13 0.00 0.38 2.02 0.33 -4.98 117.35 116.25 3d29 s TYR 38 Ca -0.10 -1.59 0.00 0.00 -0.37 0.00 0.00 57.07 55.01 3d29 s TYR 38 Cb -0.04 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 3d29 s TYR 38 CO 0.05 -0.74 0.00 0.41 -1.57 0.00 0.00 175.55 173.69 3d29 n GLY 39 N 4.74 2.70 1.18 0.71 0.00 -1.26 -1.24 105.19 112.03 3d29 n GLY 39 Ca -0.11 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 45.75 3d29 n GLY 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3d29 n HIS 40 N 13.44 0.83 -3.80 1.61 1.44 -1.26 -4.89 115.22 122.59 3d29 n HIS 40 Ca 0.00 -0.41 -0.35 0.00 -2.01 0.00 0.00 57.72 54.95 3d29 n HIS 40 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 3d29 n HIS 40 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3d29 s VAL 41 N -1.17 5.24 -0.03 0.61 1.01 -0.37 -4.50 120.40 121.19 3d29 s VAL 41 Ca 0.43 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 3d29 s VAL 41 Cb 0.22 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3d29 s VAL 41 CO 0.29 0.44 0.08 -0.36 0.00 0.00 0.00 175.10 175.55 3d29 s PHE 42 N 0.39 3.31 -0.08 5.22 0.40 0.27 -0.51 117.98 126.98 3d29 s PHE 42 Ca 0.07 0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.63 3d29 s PHE 42 Cb -0.11 -1.77 0.03 0.00 0.51 0.00 0.00 43.02 41.67 3d29 s PHE 42 CO -0.01 0.56 0.00 -1.17 0.70 0.00 0.00 175.22 175.30 3d29 s LEU 43 N -1.51 0.63 -0.01 -0.37 2.96 0.16 -0.98 118.68 119.57 3d29 s LEU 43 Ca 0.20 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3d29 s LEU 43 Cb -0.12 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 3d29 s LEU 43 CO 0.11 -0.20 0.10 -0.83 -1.32 0.00 0.00 176.35 174.21 3d29 s GLY 44 N 1.96 2.04 -0.08 7.98 0.00 0.20 0.50 107.32 119.92 3d29 s GLY 44 Ca 0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 3d29 s GLY 44 CO -0.06 -0.73 0.09 -0.42 0.00 0.00 0.00 173.10 171.99 3d29 s ILE 45 N -1.21 -0.15 0.40 0.90 1.01 0.25 -0.79 121.20 121.61 3d29 s ILE 45 Ca 0.23 0.30 0.08 0.00 0.00 0.00 0.00 60.65 61.26 3d29 s ILE 45 Cb -0.12 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 42.08 3d29 s ILE 45 CO 0.14 0.09 0.51 0.42 0.00 0.00 0.00 174.94 176.10 3d29 s THR 46 N 2.20 3.12 0.00 2.92 -4.23 -1.24 -4.82 115.64 113.60 3d29 s THR 46 Ca 0.04 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 3d29 s THR 46 Cb -0.13 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.64 3d29 s THR 46 CO -0.05 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 3d29 n GLY 47 N -1.75 0.19 3.65 3.99 0.00 -1.26 -1.21 105.19 108.80 3d29 n GLY 47 Ca 0.06 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3d29 n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3d29 s LEU 48 N 0.00 4.15 0.24 0.99 2.96 -0.27 -4.52 118.68 122.22 3d29 s LEU 48 Ca 0.00 2.02 -0.08 0.00 -0.22 0.00 0.00 54.13 55.85 3d29 s LEU 48 Cb 0.00 -3.53 0.39 0.00 0.50 0.00 0.00 46.19 43.55 3d29 s LEU 48 CO 0.00 -1.07 1.64 0.00 -1.32 0.00 0.00 176.35 175.60 3d29 h ALA 49 N 10.12 0.71 -0.99 5.97 0.00 -1.91 0.28 119.26 133.44 3d29 h ALA 49 Ca -0.37 0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.87 3d29 h ALA 49 Cb 1.17 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 19.29 3d29 h ALA 49 CO 0.97 -0.41 0.63 0.00 0.00 0.00 0.00 179.25 180.44 3d29 h THR 50 N 0.10 0.98 -0.00 0.00 1.03 -1.99 0.14 112.91 113.17 3d29 h THR 50 Ca 0.38 -0.36 -0.16 0.00 -0.01 0.00 0.00 66.41 66.26 3d29 h THR 50 Cb 0.66 -0.16 -0.02 0.00 -1.07 0.00 0.00 68.15 67.56 3d29 h THR 50 CO -0.64 0.19 -0.77 0.44 -0.01 0.00 0.00 175.52 174.73 3d29 h ASP 51 N 1.04 0.02 -0.20 0.00 3.45 -1.38 -1.57 116.42 117.78 3d29 h ASP 51 Ca 0.47 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.90 3d29 h ASP 51 Cb 0.38 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 3d29 h ASP 51 CO -0.23 0.78 0.07 0.58 -1.57 0.00 0.00 179.24 178.88 3d29 h VAL 52 N 0.01 1.17 0.04 -1.35 2.07 0.58 0.20 116.25 118.96 3d29 h VAL 52 Ca -0.01 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3d29 h VAL 52 Cb 1.37 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3d29 h VAL 52 CO 0.10 0.17 -0.02 0.74 0.02 0.00 0.00 177.57 178.58 3d29 h THR 53 N 0.16 1.06 -0.21 2.57 2.02 -0.75 -2.54 112.91 115.23 3d29 h THR 53 Ca 0.07 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 66.97 3d29 h THR 53 Cb 0.20 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 3d29 h THR 53 CO -0.00 0.08 -0.08 0.74 0.37 0.00 0.00 175.52 176.63 3d29 h THR 54 N -0.19 0.72 -0.74 3.16 2.02 -1.17 -1.48 112.91 115.23 3d29 h THR 54 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3d29 h THR 54 Cb 0.17 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 3d29 h THR 54 CO 0.01 0.00 0.48 -0.07 0.37 0.00 0.00 175.52 176.31 3d29 h LEU 55 N -0.05 0.86 0.16 2.58 3.38 -0.95 0.51 115.31 121.80 3d29 h LEU 55 Ca 0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3d29 h LEU 55 Cb 0.21 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3d29 h LEU 55 CO -0.24 0.63 -0.09 -1.13 0.09 0.00 0.00 178.44 177.70 3d29 h ASN 56 N 1.01 -0.22 -0.20 -0.43 -1.24 -0.93 0.93 115.58 114.49 3d29 h ASN 56 Ca 0.27 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 3d29 h ASN 56 Cb -0.10 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 3d29 h ASN 56 CO -0.06 -0.15 0.11 -0.33 -1.29 0.00 0.00 177.43 175.71 3d29 h GLU 57 N -0.24 0.32 -0.15 6.67 5.08 -0.75 -0.91 114.58 124.61 3d29 h GLU 57 Ca -0.02 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3d29 h GLU 57 Cb 0.19 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3d29 h GLU 57 CO 0.02 0.26 -0.16 1.98 -1.00 0.00 0.00 179.01 180.11 3d29 h MET 58 N 0.33 0.37 0.00 2.33 4.05 -0.29 -2.43 114.93 119.29 3d29 h MET 58 Ca 0.08 -0.20 -0.04 0.00 -0.28 0.00 0.00 59.70 59.26 3d29 h MET 58 Cb 0.05 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3d29 h MET 58 CO -0.01 0.76 -0.21 0.74 0.23 0.00 0.00 176.91 178.42 3d29 h PHE 59 N -0.01 0.00 0.12 1.39 0.05 -0.39 -0.54 116.94 117.56 3d29 h PHE 59 Ca 0.02 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.81 3d29 h PHE 59 Cb 0.70 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.65 3d29 h PHE 59 CO 0.09 0.21 -0.06 -0.09 -0.18 0.00 0.00 178.31 178.28 3d29 h ARG 60 N 0.00 -0.16 -0.58 1.51 2.43 -1.14 -0.09 114.38 116.36 3d29 h ARG 60 Ca -0.00 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.30 3d29 h ARG 60 Cb 0.67 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.15 3d29 h ARG 60 CO 0.03 0.26 -0.04 -0.92 -1.51 0.00 0.00 179.97 177.79 3d29 h TYR 61 N -0.64 -0.12 -0.13 2.20 5.03 -1.12 0.43 116.97 122.63 3d29 h TYR 61 Ca -0.02 0.05 -0.08 0.00 2.58 0.00 0.00 58.73 61.26 3d29 h TYR 61 Cb 0.49 0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.91 3d29 h TYR 61 CO 0.07 -0.18 -0.22 0.87 -1.32 0.00 0.00 178.16 177.38 3d29 h LYS 62 N 0.08 0.37 -0.10 1.82 1.57 -1.09 -3.01 116.57 116.21 3d29 h LYS 62 Ca 0.30 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3d29 h LYS 62 Cb 0.47 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3d29 h LYS 62 CO -0.53 0.82 -0.13 1.79 -0.57 0.00 0.00 179.45 180.83 3d29 h THR 63 N -0.04 1.15 -0.17 -0.16 1.35 -0.66 -0.64 112.91 113.74 3d29 h THR 63 Ca 0.01 -0.67 -0.02 0.00 -0.55 0.00 0.00 66.41 65.18 3d29 h THR 63 Cb 0.79 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3d29 h THR 63 CO 0.05 0.20 0.02 0.78 -0.25 0.00 0.00 175.52 176.32 3d29 h ASN 64 N 0.14 0.27 -0.45 5.36 2.35 -0.91 -1.72 115.58 120.62 3d29 h ASN 64 Ca 0.03 -0.28 -0.09 0.00 -0.55 0.00 0.00 56.30 55.41 3d29 h ASN 64 Cb 0.32 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3d29 h ASN 64 CO 0.02 0.48 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.17 3d29 h LEU 65 N 0.05 0.87 -0.84 1.61 3.38 -1.37 -1.82 115.31 117.19 3d29 h LEU 65 Ca 0.05 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3d29 h LEU 65 Cb 0.33 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 3d29 h LEU 65 CO 0.01 0.96 0.51 0.22 0.09 0.00 0.00 178.44 180.22 3d29 h TYR 66 N 0.81 0.93 -0.41 1.13 5.03 -0.93 0.11 116.97 123.63 3d29 h TYR 66 Ca 0.15 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.33 3d29 h TYR 66 Cb 0.55 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 3d29 h TYR 66 CO 0.03 0.44 -0.33 -0.22 -1.32 0.00 0.00 178.16 176.76 3d29 h LYS 67 N 0.89 0.94 -0.24 1.82 3.64 -0.94 0.25 116.57 122.95 3d29 h LYS 67 Ca 0.38 -0.46 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3d29 h LYS 67 Cb 0.25 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3d29 h LYS 67 CO -0.20 1.12 0.11 -0.07 -2.27 0.00 0.00 179.45 178.14 3d29 h LEU 68 N 0.78 0.31 0.16 5.20 3.38 -0.48 0.33 115.31 124.99 3d29 h LEU 68 Ca 0.08 -0.13 -0.31 0.00 0.09 0.00 0.00 57.88 57.61 3d29 h LEU 68 Cb 0.91 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 41.61 3d29 h LEU 68 CO 0.08 0.36 -1.33 0.11 0.09 0.00 0.00 178.44 177.75 3d29 h LYS 69 N 0.25 0.55 0.00 1.13 1.57 -0.99 -3.33 116.57 115.74 3d29 h LYS 69 Ca 0.08 -0.82 -0.04 0.00 -1.87 0.00 0.00 60.65 58.01 3d29 h LYS 69 Cb 0.13 0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3d29 h LYS 69 CO -0.01 1.38 -0.62 0.93 -0.57 0.00 0.00 179.45 180.56 3d29 h GLU 70 N 0.20 0.00 -5.59 3.15 4.39 -0.54 -3.48 114.58 112.71 3d29 h GLU 70 Ca -0.21 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.19 3d29 h GLU 70 Cb 2.01 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 30.84 3d29 h GLU 70 CO 0.25 0.11 -0.80 0.39 -1.16 0.00 0.00 179.01 177.79 3d29 n GLU 71 N -2.93 -4.98 0.00 2.33 1.02 0.11 -4.99 120.64 111.20 3d29 n GLU 71 Ca 0.01 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 3d29 n GLU 71 Cb 0.60 -5.83 0.00 0.00 -0.02 0.00 0.00 31.44 26.19 3d29 n GLU 71 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3d29 n ARG 72 N -3.81 0.00 -2.52 3.49 1.85 -1.22 -5.08 116.66 109.37 3d29 n ARG 72 Ca -0.21 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.30 3d29 n ARG 72 Cb 0.65 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.03 3d29 n ARG 72 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3d29 s ALA 73 N -2.00 2.87 0.52 2.89 0.00 -1.26 -4.19 121.76 120.59 3d29 s ALA 73 Ca 0.00 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.39 3d29 s ALA 73 Cb 0.00 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 3d29 s ALA 73 CO 0.00 -0.35 1.14 -1.50 0.00 0.00 0.00 175.76 175.05 3d29 s ILE 74 N -1.94 3.16 0.40 0.00 2.07 -1.26 -5.05 121.20 118.58 3d29 s ILE 74 Ca 0.67 0.76 0.01 0.00 -1.41 0.00 0.00 60.65 60.68 3d29 s ILE 74 Cb -0.17 -3.33 -0.02 0.00 0.13 0.00 0.00 42.46 39.07 3d29 s ILE 74 CO 0.21 -0.12 0.60 -1.61 -1.91 0.00 0.00 174.94 172.10 3d29 s GLU 75 N -3.14 3.23 0.17 3.50 0.41 -1.26 -4.71 118.70 116.90 3d29 s GLU 75 Ca 0.70 -0.49 -0.15 0.00 -0.41 0.00 0.00 54.97 54.63 3d29 s GLU 75 Cb -0.25 -2.63 0.10 0.00 -1.78 0.00 0.00 34.13 29.57 3d29 s GLU 75 CO 0.29 -0.06 1.77 -1.35 -0.49 0.00 0.00 175.26 175.41 3d29 h PRO 76 N 0.60 0.39 -0.59 0.39 0.11 -1.94 -0.07 132.00 130.89 3d29 h PRO 76 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3d29 h PRO 76 Cb 1.24 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3d29 h PRO 76 CO 0.58 0.26 0.37 0.93 -0.21 0.00 0.00 178.00 179.93 3d29 h GLU 77 N 0.40 0.79 -0.07 1.05 3.07 -1.97 -1.32 114.58 116.52 3d29 h GLU 77 Ca 0.19 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 3d29 h GLU 77 Cb 0.13 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3d29 h GLU 77 CO -0.16 0.54 0.00 1.15 -1.40 0.00 0.00 179.01 179.15 3d29 h THR 78 N 0.80 1.24 -0.93 1.13 2.02 -1.91 -2.97 112.91 112.28 3d29 h THR 78 Ca 0.21 -0.73 0.10 0.00 0.77 0.00 0.00 66.41 66.77 3d29 h THR 78 Cb -0.06 1.59 -0.07 0.00 -1.74 0.00 0.00 68.15 67.87 3d29 h THR 78 CO -0.04 0.20 0.60 0.15 0.37 0.00 0.00 175.52 176.80 3d29 h PHE 79 N -0.15 1.03 -0.76 3.16 3.57 -0.86 -0.56 116.94 122.38 3d29 h PHE 79 Ca 0.02 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.59 3d29 h PHE 79 Cb 0.31 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 3d29 h PHE 79 CO 0.03 0.46 0.47 1.15 -2.23 0.00 0.00 178.31 178.18 3d29 h THR 80 N 0.94 1.06 -0.49 4.41 2.02 -1.09 0.24 112.91 120.00 3d29 h THR 80 Ca 0.44 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 67.19 3d29 h THR 80 Cb 0.41 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3d29 h THR 80 CO -0.20 0.16 -0.17 1.56 0.37 0.00 0.00 175.52 177.24 3d29 h GLN 81 N 0.88 0.97 -0.76 6.66 1.08 -1.02 -0.14 115.11 122.79 3d29 h GLN 81 Ca 0.32 -0.39 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 3d29 h GLN 81 Cb 0.09 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 3d29 h GLN 81 CO -0.14 1.06 0.32 1.25 -0.95 0.00 0.00 178.83 180.37 3d29 h LEU 82 N 0.85 1.02 -0.30 1.46 5.85 -0.17 -0.50 115.31 123.52 3d29 h LEU 82 Ca 0.12 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3d29 h LEU 82 Cb 0.74 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3d29 h LEU 82 CO 0.06 0.89 -0.07 0.58 -0.34 0.00 0.00 178.44 179.56 3d29 h VAL 83 N 1.09 1.28 -0.38 1.05 2.07 -0.28 -1.39 116.25 119.70 3d29 h VAL 83 Ca 0.26 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 3d29 h VAL 83 Cb 0.18 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3d29 h VAL 83 CO -0.03 0.36 0.21 -1.28 0.02 0.00 0.00 177.57 176.85 3d29 h SER 84 N 0.35 0.47 0.53 0.57 0.87 -0.61 -1.65 113.55 114.07 3d29 h SER 84 Ca 0.08 -0.08 -0.16 0.00 -1.23 0.00 0.00 61.79 60.39 3d29 h SER 84 Cb 0.56 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3d29 h SER 84 CO 0.03 0.42 -0.72 0.77 -0.53 0.00 0.00 176.83 176.80 3d29 h SER 85 N 0.48 0.19 -0.42 6.23 4.64 -1.11 -2.30 113.55 121.27 3d29 h SER 85 Ca 0.13 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3d29 h SER 85 Cb 0.05 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 3d29 h SER 85 CO -0.02 0.85 0.08 0.28 -0.87 0.00 0.00 176.83 177.15 3d29 h SER 86 N 0.11 0.71 -0.07 4.97 0.02 -1.03 -2.02 113.55 116.24 3d29 h SER 86 Ca -0.02 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 3d29 h SER 86 Cb 1.28 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.63 3d29 h SER 86 CO 0.11 0.73 -0.36 -0.07 -1.14 0.00 0.00 176.83 176.10 3d29 h LEU 87 N 0.73 0.43 -1.07 5.07 3.38 -1.19 -3.22 115.31 119.45 3d29 h LEU 87 Ca 0.16 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3d29 h LEU 87 Cb 0.33 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3d29 h LEU 87 CO 0.00 1.02 0.00 0.22 0.09 0.00 0.00 178.44 179.78 3d29 h TYR 88 N -0.13 0.00 0.00 1.13 3.20 -1.29 -1.38 116.97 118.50 3d29 h TYR 88 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3d29 h TYR 88 Cb 1.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.29 3d29 h TYR 88 CO 0.13 0.00 0.00 1.49 -1.64 0.00 0.00 178.16 178.14 3d29 h GLU 89 N 0.00 0.00 -0.18 1.82 4.81 -1.37 -1.67 114.58 117.99 3d29 h GLU 89 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3d29 h GLU 89 Cb 0.28 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 3d29 h GLU 89 CO 0.00 0.00 -0.27 0.54 -0.73 0.00 0.00 179.01 178.55 3d29 n ARG 90 N -2.76 1.72 -0.31 1.92 5.12 -0.52 -4.87 116.66 116.96 3d29 n ARG 90 Ca 0.00 -3.23 0.26 0.00 -1.93 0.00 0.00 57.85 52.95 3d29 n ARG 90 Cb 0.22 -1.72 0.48 0.00 -1.16 0.00 0.00 32.46 30.28 3d29 n ARG 90 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3d29 n ARG 91 N -1.12 -0.06 -0.34 5.56 3.00 -0.63 -0.75 116.66 122.31 3d29 n ARG 91 Ca 0.26 1.32 0.10 0.00 -0.00 0.00 0.00 57.85 59.54 3d29 n ARG 91 Cb 0.86 -2.31 0.28 0.00 0.00 0.00 0.00 32.46 31.30 3d29 n ARG 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3d29 n PHE 92 N -5.19 0.89 -2.72 -0.14 3.01 -1.26 -4.41 117.46 107.64 3d29 n PHE 92 Ca 0.32 -0.51 -0.08 0.00 1.01 0.00 0.00 57.45 58.19 3d29 n PHE 92 Cb 1.09 -0.03 0.10 0.00 -0.01 0.00 0.00 39.48 40.63 3d29 n PHE 92 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d29 n GLY 93 N 1.32 0.69 3.71 1.37 0.00 -0.28 -5.16 105.19 106.84 3d29 n GLY 93 Ca 0.21 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3d29 n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d29 s PRO 94 N 0.24 1.69 0.17 1.61 0.04 0.07 -4.88 135.00 133.94 3d29 s PRO 94 Ca 0.22 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 3d29 s PRO 94 Cb 0.31 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.99 3d29 s PRO 94 CO -0.06 -2.15 0.94 0.71 0.04 0.00 0.00 177.00 176.47 3d29 s TYR 95 N -2.32 3.90 -1.22 0.56 1.51 -1.26 -4.96 117.35 113.57 3d29 s TYR 95 Ca 0.70 1.84 -0.14 0.00 -1.01 0.00 0.00 57.07 58.47 3d29 s TYR 95 Cb -0.26 -3.00 0.17 0.00 -0.11 0.00 0.00 41.96 38.76 3d29 s TYR 95 CO 0.51 0.34 1.46 1.19 -1.11 0.00 0.00 175.55 177.94 3d29 n PHE 96 N 2.12 4.90 -4.21 2.71 3.72 -1.26 -4.83 117.46 120.61 3d29 n PHE 96 Ca -0.00 -3.34 -0.12 0.00 -0.05 0.00 0.00 57.45 53.94 3d29 n PHE 96 Cb 0.48 -2.18 -0.10 0.00 -0.94 0.00 0.00 39.48 36.74 3d29 n PHE 96 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3d29 s VAL 97 N 1.53 0.23 -0.45 -4.37 -7.23 -1.26 -1.12 120.40 107.73 3d29 s VAL 97 Ca 0.43 -1.97 0.07 0.00 -1.81 0.00 0.00 61.98 58.70 3d29 s VAL 97 Cb -0.02 -2.35 0.23 0.00 0.56 0.00 0.00 36.38 34.81 3d29 s VAL 97 CO 0.00 -0.20 0.53 0.61 -0.31 0.00 0.00 175.10 175.74 3d29 n GLY 98 N -0.25 3.15 3.64 2.32 0.00 -0.35 -3.91 105.19 109.78 3d29 n GLY 98 Ca -0.02 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 3d29 n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d29 n PRO 99 N 1.54 0.80 -3.70 1.61 -0.02 -1.26 -3.59 135.00 130.39 3d29 n PRO 99 Ca 0.24 0.32 -0.15 0.00 -2.02 0.00 0.00 63.50 61.90 3d29 n PRO 99 Cb 0.49 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 3d29 n PRO 99 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3d29 s VAL 100 N -1.58 -0.19 -0.10 -1.45 1.01 0.03 -2.75 120.40 115.37 3d29 s VAL 100 Ca 0.77 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 3d29 s VAL 100 Cb -0.39 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3d29 s VAL 100 CO 0.46 0.11 -0.03 -0.69 0.00 0.00 0.00 175.10 174.95 3d29 s VAL 101 N 1.83 4.01 -0.01 2.92 1.01 0.47 -0.63 120.40 130.00 3d29 s VAL 101 Ca -0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3d29 s VAL 101 Cb -0.12 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 3d29 s VAL 101 CO -0.07 0.57 0.05 0.00 0.00 0.00 0.00 175.10 175.66 3d29 s ALA 102 N -0.52 -0.12 0.00 5.51 0.00 -0.15 -0.81 121.76 125.68 3d29 s ALA 102 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3d29 s ALA 102 Cb -0.12 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3d29 s ALA 102 CO 0.02 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3d29 n GLY 103 N 2.33 1.00 3.44 0.00 0.00 0.21 -0.56 105.19 111.60 3d29 n GLY 103 Ca -0.18 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 3d29 n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d29 s ILE 104 N -2.00 3.51 -0.10 -0.61 -1.09 -1.26 0.11 121.20 119.77 3d29 s ILE 104 Ca 0.00 -0.49 -0.29 0.00 -2.23 0.00 0.00 60.65 57.63 3d29 s ILE 104 Cb 0.00 -2.51 -0.05 0.00 -1.58 0.00 0.00 42.46 38.32 3d29 s ILE 104 CO 0.00 0.50 1.61 0.21 -1.23 0.00 0.00 174.94 176.03 3d29 s ASN 105 N 0.39 6.64 0.62 3.58 3.84 0.58 -4.83 114.94 125.76 3d29 s ASN 105 Ca -0.07 2.07 0.38 0.00 0.21 0.00 0.00 52.86 55.45 3d29 s ASN 105 Cb -0.15 -2.53 2.06 0.00 -0.55 0.00 0.00 41.25 40.07 3d29 s ASN 105 CO 0.04 -0.97 2.27 0.77 -2.79 0.00 0.00 177.10 176.41 3d29 h SER 10 N 9.65 0.00 0.05 -4.21 4.64 -1.94 0.77 113.55 122.50 3d29 h SER 10 Ca -0.37 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.63 3d29 h SER 10 Cb 1.17 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 3d29 h SER 10 CO 0.96 0.02 -1.81 1.17 -0.87 0.00 0.00 176.83 176.30 3d29 n LYS 10 N -3.32 0.65 0.09 4.77 4.81 -1.26 -4.44 118.16 119.45 3d29 n LYS 10 Ca -0.02 0.38 0.12 0.00 -0.87 0.00 0.00 58.31 57.91 3d29 n LYS 10 Cb 0.12 -1.68 0.07 0.00 0.02 0.00 0.00 35.03 33.56 3d29 n LYS 10 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3d29 h SER 10 N -0.52 0.00 0.00 3.14 4.64 -1.95 -3.47 113.55 115.39 3d29 h SER 10 Ca -0.45 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3d29 h SER 10 Cb 1.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 3d29 h SER 10 CO -0.12 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.50 3d29 n GLY 106 N 1.25 2.05 3.73 -0.77 0.00 0.27 -4.98 105.19 106.74 3d29 n GLY 106 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3d29 n GLY 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d29 s LYS 107 N -0.04 4.28 0.35 1.61 2.20 -1.25 -4.59 119.74 122.30 3d29 s LYS 107 Ca 0.00 2.25 -0.26 0.00 -0.36 0.00 0.00 55.97 57.60 3d29 s LYS 107 Cb 0.00 -3.15 -0.09 0.00 -1.51 0.00 0.00 37.83 33.08 3d29 s LYS 107 CO 0.00 -0.44 1.04 -2.14 -0.36 0.00 0.00 175.35 173.44 3d29 s PRO 108 N 0.19 4.39 -0.03 4.03 0.02 -1.26 -0.31 135.00 142.03 3d29 s PRO 108 Ca 0.62 1.54 -0.02 0.00 0.02 0.00 0.00 61.00 63.17 3d29 s PRO 108 Cb -0.41 -2.78 0.02 0.00 0.02 0.00 0.00 34.50 31.35 3d29 s PRO 108 CO 0.38 0.06 0.08 0.12 -0.33 0.00 0.00 177.00 177.30 3d29 s PHE 109 N -1.51 -0.07 0.01 6.54 5.36 0.31 -4.91 117.98 123.71 3d29 s PHE 109 Ca 0.52 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 3d29 s PHE 109 Cb -0.24 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.35 3d29 s PHE 109 CO 0.30 -0.09 -0.02 0.96 -1.46 0.00 0.00 175.22 174.91 3d29 s ILE 110 N 0.65 0.12 -0.07 3.12 -4.36 -1.26 -0.62 121.20 118.78 3d29 s ILE 110 Ca -0.05 -0.42 -0.17 0.00 -0.26 0.00 0.00 60.65 59.75 3d29 s ILE 110 Cb -0.07 -0.17 0.03 0.00 1.25 0.00 0.00 42.46 43.50 3d29 s ILE 110 CO -0.02 -0.19 0.39 0.00 0.24 0.00 0.00 174.94 175.35 3d29 s ALA 111 N -0.62 -0.98 0.27 2.27 0.00 0.01 -3.46 121.76 119.24 3d29 s ALA 111 Ca -0.06 0.74 0.11 0.00 0.00 0.00 0.00 51.96 52.75 3d29 s ALA 111 Cb -0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 3d29 s ALA 111 CO -0.00 -0.25 -0.16 0.20 0.00 0.00 0.00 175.76 175.55 3d29 s GLY 112 N -0.77 1.82 0.02 0.00 0.00 0.29 -0.39 107.32 108.28 3d29 s GLY 112 Ca -0.09 -1.80 -0.01 0.00 0.00 0.00 0.00 44.72 42.82 3d29 s GLY 112 CO 0.04 -1.88 -0.00 -1.36 0.00 0.00 0.00 173.10 169.90 3d29 s PHE 113 N -2.38 0.21 0.71 1.90 0.08 -1.11 0.84 117.98 118.22 3d29 s PHE 113 Ca 0.29 -0.44 -0.02 0.00 0.12 0.00 0.00 56.93 56.88 3d29 s PHE 113 Cb -0.06 -0.16 0.11 0.00 -0.57 0.00 0.00 43.02 42.34 3d29 s PHE 113 CO 0.16 -0.19 0.98 0.16 -0.10 0.00 0.00 175.22 176.22 3d29 s ASP 114 N -1.36 4.48 0.64 1.36 3.84 -0.91 -4.25 116.67 120.47 3d29 s ASP 114 Ca -0.15 -0.14 0.42 0.00 -0.00 0.00 0.00 52.55 52.68 3d29 s ASP 114 Cb -0.09 -0.34 2.23 0.00 -1.38 0.00 0.00 42.92 43.34 3d29 s ASP 114 CO -0.01 -1.76 2.31 0.17 -0.00 0.00 0.00 175.17 175.88 3d29 h LEU 115 N -0.51 0.00 -3.30 2.11 -0.00 -1.88 -2.02 115.31 109.70 3d29 h LEU 115 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 3d29 h LEU 115 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 3d29 h LEU 115 CO 0.45 0.00 0.00 2.30 -0.00 0.00 0.00 178.44 181.19 3d29 n ILE 116 N -3.12 2.27 0.00 0.15 -0.00 -1.26 -4.49 119.36 112.91 3d29 n ILE 116 Ca -0.02 -1.60 0.00 0.00 -0.00 0.00 0.00 62.75 61.12 3d29 n ILE 116 Cb 0.11 -0.16 0.00 0.00 -0.00 0.00 0.00 39.64 39.60 3d29 n ILE 116 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3d29 n GLY 117 N 0.07 0.39 3.68 3.28 0.00 -0.76 -3.32 105.19 108.53 3d29 n GLY 117 Ca 0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 3d29 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d29 s ILE 119 N 2.65 5.09 -0.25 0.00 1.01 -1.26 -2.15 121.20 126.29 3d29 s ILE 119 Ca 0.84 1.25 0.03 0.00 0.00 0.00 0.00 60.65 62.76 3d29 s ILE 119 Cb -0.57 -3.95 0.06 0.00 0.01 0.00 0.00 42.46 38.01 3d29 s ILE 119 CO 0.41 0.29 -0.10 -0.62 0.00 0.00 0.00 174.94 174.92 3d29 s ASP 120 N 0.69 4.32 -0.50 3.58 3.68 0.25 -4.97 116.67 123.71 3d29 s ASP 120 Ca 0.33 -1.35 -0.09 0.00 2.13 0.00 0.00 52.55 53.56 3d29 s ASP 120 Cb -0.17 -1.47 0.13 0.00 -1.45 0.00 0.00 42.92 39.96 3d29 s ASP 120 CO 0.15 -0.20 0.38 -0.70 0.13 0.00 0.00 175.17 174.93 3d29 s GLU 121 N 1.16 2.55 0.29 4.34 2.12 -1.26 0.10 118.70 128.00 3d29 s GLU 121 Ca -0.08 -1.86 -0.04 0.00 0.36 0.00 0.00 54.97 53.35 3d29 s GLU 121 Cb -0.20 -3.95 -0.05 0.00 0.26 0.00 0.00 34.13 30.20 3d29 s GLU 121 CO -0.05 -1.20 0.54 0.00 -0.54 0.00 0.00 175.26 174.00 3d29 s ALA 122 N 1.19 3.66 -0.57 6.30 0.00 -1.23 -5.00 121.76 126.11 3d29 s ALA 122 Ca 0.07 -0.64 0.22 0.00 0.00 0.00 0.00 51.96 51.61 3d29 s ALA 122 Cb -0.25 -2.24 -0.12 0.00 0.00 0.00 0.00 23.12 20.51 3d29 s ALA 122 CO -0.01 0.22 0.86 0.36 0.00 0.00 0.00 175.76 177.19 3d29 n LYS 12 N -1.05 0.30 -0.01 0.00 2.85 -1.26 -4.42 118.16 114.58 3d29 n LYS 12 Ca -0.02 -0.05 -0.04 0.00 -1.05 0.00 0.00 58.31 57.15 3d29 n LYS 12 Cb 0.54 -1.55 -0.01 0.00 -0.65 0.00 0.00 35.03 33.36 3d29 n LYS 12 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3d29 n ASP 123 N -1.91 1.46 -3.86 -5.58 5.68 -1.26 -4.61 116.55 106.47 3d29 n ASP 123 Ca 0.01 0.22 -0.09 0.00 -0.50 0.00 0.00 54.79 54.43 3d29 n ASP 123 Cb 0.44 -0.51 -0.04 0.00 -1.14 0.00 0.00 41.12 39.87 3d29 n ASP 123 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3d29 s PHE 124 N -2.38 0.04 -0.10 2.11 -0.12 -1.26 -1.40 117.98 114.86 3d29 s PHE 124 Ca -0.12 -0.41 -0.05 0.00 -0.05 0.00 0.00 56.93 56.30 3d29 s PHE 124 Cb 0.02 0.38 0.05 0.00 -0.63 0.00 0.00 43.02 42.83 3d29 s PHE 124 CO 0.18 -1.00 0.23 0.42 -0.05 0.00 0.00 175.22 175.00 3d29 s ILE 125 N -3.93 -0.07 0.28 -4.49 -1.09 -0.17 -4.71 121.20 107.02 3d29 s ILE 125 Ca 0.14 0.17 0.11 0.00 -2.23 0.00 0.00 60.65 58.84 3d29 s ILE 125 Cb -0.02 -0.37 -0.05 0.00 -1.58 0.00 0.00 42.46 40.45 3d29 s ILE 125 CO 0.03 0.07 -0.15 0.68 -1.23 0.00 0.00 174.94 174.34 3d29 s VAL 126 N 1.35 2.71 -0.19 2.92 -7.23 -1.26 -0.67 120.40 118.02 3d29 s VAL 126 Ca -0.08 -2.28 -0.28 0.00 -1.81 0.00 0.00 61.98 57.52 3d29 s VAL 126 Cb -0.11 -2.44 0.12 0.00 0.56 0.00 0.00 36.38 34.51 3d29 s VAL 126 CO -0.08 -0.39 0.98 -0.55 -0.31 0.00 0.00 175.10 174.75 3d29 s SER 127 N -3.55 -0.42 0.00 4.85 0.15 -0.47 -4.97 113.70 109.27 3d29 s SER 127 Ca 0.30 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.55 3d29 s SER 127 Cb -0.05 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 3d29 s SER 127 CO 0.16 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.92 3d29 n GLY 128 N 1.26 0.31 0.06 9.45 0.00 -1.26 -1.29 105.19 113.72 3d29 n GLY 128 Ca -0.12 -2.31 0.06 0.00 0.00 0.00 0.00 46.02 43.65 3d29 n GLY 128 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d29 n THR 129 N -0.86 1.40 -1.60 2.61 -2.24 -0.89 -1.55 114.28 111.14 3d29 n THR 129 Ca 0.00 0.48 0.06 0.00 -2.27 0.00 0.00 64.05 62.32 3d29 n THR 129 Cb 0.00 -1.42 0.19 0.00 -2.10 0.00 0.00 70.33 67.00 3d29 n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d29 n ALA 130 N -1.61 3.45 0.15 6.98 0.00 -1.26 -4.79 120.51 123.43 3d29 n ALA 130 Ca 0.01 -3.17 0.07 0.00 0.00 0.00 0.00 53.44 50.34 3d29 n ALA 130 Cb 0.07 -0.38 0.56 0.00 0.00 0.00 0.00 19.45 19.70 3d29 n ALA 130 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3d29 h SER 131 N 0.90 0.19 0.03 0.00 4.64 -1.54 -0.70 113.55 117.06 3d29 h SER 131 Ca -0.01 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3d29 h SER 131 Cb 1.05 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3d29 h SER 131 CO 0.01 0.13 -0.01 0.44 -0.87 0.00 0.00 176.83 176.53 3d29 h ASP 132 N 0.22 -0.03 -0.76 4.97 3.45 -1.86 -0.35 116.42 122.06 3d29 h ASP 132 Ca 0.07 -0.26 0.04 0.00 0.43 0.00 0.00 57.03 57.31 3d29 h ASP 132 Cb 0.01 0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 38.74 3d29 h ASP 132 CO -0.01 0.24 0.47 1.56 -1.57 0.00 0.00 179.24 179.93 3d29 h GLN 133 N -0.30 0.88 -0.59 3.56 7.50 -1.79 -1.46 115.11 122.90 3d29 h GLN 133 Ca -0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 58.65 59.06 3d29 h GLN 133 Cb 0.28 -0.20 -0.03 0.00 0.05 0.00 0.00 27.48 27.59 3d29 h GLN 133 CO 0.01 0.58 0.21 -0.07 -1.50 0.00 0.00 178.83 178.06 3d29 h LEU 134 N 0.90 0.80 -0.90 1.46 3.38 -0.95 -0.33 115.31 119.67 3d29 h LEU 134 Ca 0.31 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 3d29 h LEU 134 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3d29 h LEU 134 CO -0.13 0.74 -0.04 -0.26 0.09 0.00 0.00 178.44 178.84 3d29 h PHE 135 N 0.86 0.83 -0.26 1.13 0.04 -0.20 -0.50 116.94 118.84 3d29 h PHE 135 Ca 0.20 -0.13 -0.06 0.00 2.80 0.00 0.00 57.97 60.79 3d29 h PHE 135 Cb 0.20 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 3d29 h PHE 135 CO 0.01 0.79 -0.06 0.78 -0.60 0.00 0.00 178.31 179.23 3d29 h GLY 136 N 0.97 0.54 0.82 -1.45 0.00 -0.51 -1.69 103.07 101.74 3d29 h GLY 136 Ca 0.13 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3d29 h GLY 136 CO 0.03 0.40 0.01 -0.33 0.00 0.00 0.00 176.54 176.65 3d29 h MET 137 N 0.24 0.05 -0.05 4.80 2.86 -0.93 -3.03 114.93 118.87 3d29 h MET 137 Ca 0.06 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3d29 h MET 137 Cb 0.53 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 3d29 h MET 137 CO 0.03 0.22 0.02 0.00 1.06 0.00 0.00 176.91 178.24 3d29 h GLU 139 N -0.07 0.00 0.00 0.00 4.57 -1.37 -2.01 114.58 115.70 3d29 h GLU 139 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3d29 h GLU 139 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3d29 h GLU 139 CO -0.00 0.00 -0.56 0.43 -1.18 0.00 0.00 179.01 177.70 3d29 n SER 140 N -3.49 1.48 -0.35 1.04 7.64 -1.04 -4.64 113.62 114.27 3d29 n SER 140 Ca -0.02 0.45 -0.00 0.00 1.01 0.00 0.00 58.87 60.30 3d29 n SER 140 Cb 0.13 -0.76 0.13 0.00 -1.01 0.00 0.00 64.21 62.70 3d29 n SER 140 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3d29 h LEU 141 N -0.80 1.01-10.14 -3.43 3.38 -0.57 -3.46 115.31 101.31 3d29 h LEU 141 Ca 0.00 -0.01 -0.55 0.00 0.09 0.00 0.00 57.88 57.41 3d29 h LEU 141 Cb 0.56 -0.23 0.16 0.00 0.09 0.00 0.00 40.66 41.24 3d29 h LEU 141 CO 0.00 0.69 0.46 -0.47 0.09 0.00 0.00 178.44 179.21 3d29 s TYR 142 N -6.08 2.01 -0.12 1.13 5.04 -0.76 -5.06 117.35 113.51 3d29 s TYR 142 Ca -0.13 1.54 -0.29 0.00 -2.44 0.00 0.00 57.07 55.75 3d29 s TYR 142 Cb 0.18 -3.62 0.08 0.00 0.35 0.00 0.00 41.96 38.95 3d29 s TYR 142 CO 0.81 -2.87 0.75 -1.83 -1.34 0.00 0.00 175.55 171.06 3d29 s GLU 143 N -3.60 0.93 0.73 4.97 -1.05 -1.26 -5.01 118.70 114.40 3d29 s GLU 143 Ca 0.80 0.41 -0.14 0.00 -0.15 0.00 0.00 54.97 55.88 3d29 s GLU 143 Cb -0.35 0.44 0.04 0.00 -0.44 0.00 0.00 34.13 33.82 3d29 s GLU 143 CO 0.43 -0.25 1.16 -2.14 0.95 0.00 0.00 175.26 175.41 3d29 s PRO 144 N -0.80 2.25 -1.54 -4.83 0.02 -1.26 -4.24 135.00 124.60 3d29 s PRO 144 Ca -0.07 1.59 -0.10 0.00 0.02 0.00 0.00 61.00 62.44 3d29 s PRO 144 Cb -0.01 -1.86 0.08 0.00 0.02 0.00 0.00 34.50 32.72 3d29 s PRO 144 CO 0.06 -1.71 0.71 0.09 -0.33 0.00 0.00 177.00 175.82 3d29 n ASN 145 N -2.80 -2.54 -4.78 2.53 4.13 -1.26 -4.96 115.26 105.57 3d29 n ASN 145 Ca 0.12 -0.94 -0.36 0.00 1.68 0.00 0.00 54.58 55.08 3d29 n ASN 145 Cb 0.51 -3.22 -0.04 0.00 -1.54 0.00 0.00 39.78 35.50 3d29 n ASN 145 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3d29 s LEU 146 N -7.13 4.11 0.49 3.41 1.43 -1.26 -4.27 118.68 115.46 3d29 s LEU 146 Ca 0.43 2.06 -0.20 0.00 -1.03 0.00 0.00 54.13 55.39 3d29 s LEU 146 Cb -0.23 -4.21 -0.08 0.00 0.03 0.00 0.00 46.19 41.70 3d29 s LEU 146 CO 0.88 -0.55 1.05 -1.61 0.23 0.00 0.00 176.35 176.35 3d29 s GLU 147 N -2.56 3.75 0.38 1.70 0.41 -1.26 -0.26 118.70 120.86 3d29 s GLU 147 Ca 0.59 1.38 0.22 0.00 -0.41 0.00 0.00 54.97 56.75 3d29 s GLU 147 Cb -0.22 -2.09 1.31 0.00 -1.78 0.00 0.00 34.13 31.36 3d29 s GLU 147 CO 0.28 -0.48 1.61 -1.35 -0.49 0.00 0.00 175.26 174.83 3d29 h PRO 148 N 1.50 0.09 -0.04 0.39 0.11 -1.95 0.39 132.00 132.49 3d29 h PRO 148 Ca -0.49 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.46 3d29 h PRO 148 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3d29 h PRO 148 CO 0.59 0.06 -0.65 0.93 -0.21 0.00 0.00 178.00 178.71 3d29 h GLU 149 N 0.09 0.17 0.11 1.05 3.07 -2.00 -2.40 114.58 114.67 3d29 h GLU 149 Ca 0.82 -0.13 -0.17 0.00 -0.50 0.00 0.00 59.36 59.38 3d29 h GLU 149 Cb 2.22 0.02 0.01 0.00 -0.84 0.00 0.00 28.75 30.17 3d29 h GLU 149 CO -0.64 0.76 -0.80 -0.44 -1.40 0.00 0.00 179.01 176.49 3d29 h ASP 150 N 0.12 0.36 -0.84 1.42 3.45 -0.77 -3.27 116.42 116.89 3d29 h ASP 150 Ca -0.01 -0.93 0.12 0.00 0.43 0.00 0.00 57.03 56.64 3d29 h ASP 150 Cb 1.17 -0.12 -0.06 0.00 -0.56 0.00 0.00 39.33 39.76 3d29 h ASP 150 CO 0.10 1.37 0.55 0.25 -1.57 0.00 0.00 179.24 179.94 3d29 h LEU 151 N -0.49 0.66 -0.71 1.55 5.85 -0.63 0.34 115.31 121.88 3d29 h LEU 151 Ca -0.16 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3d29 h LEU 151 Cb 1.54 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 3d29 h LEU 151 CO 0.10 0.37 0.44 0.15 -0.34 0.00 0.00 178.44 179.16 3d29 h PHE 152 N 0.72 0.93 -0.11 1.25 3.57 -1.51 0.45 116.94 122.23 3d29 h PHE 152 Ca 0.40 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 3d29 h PHE 152 Cb 0.57 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 3d29 h PHE 152 CO -0.00 0.61 0.02 0.93 -2.23 0.00 0.00 178.31 177.64 3d29 h GLU 153 N 0.97 0.19 -0.08 1.11 4.39 -1.02 -2.21 114.58 117.92 3d29 h GLU 153 Ca 0.26 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 3d29 h GLU 153 Cb -0.06 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3d29 h GLU 153 CO -0.05 0.38 0.04 1.15 -1.16 0.00 0.00 179.01 179.37 3d29 h THR 154 N -0.04 1.11 0.00 1.13 2.02 -1.05 -1.41 112.91 114.67 3d29 h THR 154 Ca 0.03 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 3d29 h THR 154 Cb 0.28 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3d29 h THR 154 CO 0.00 0.09 -0.25 -0.29 0.37 0.00 0.00 175.52 175.45 3d29 h ILE 155 N 0.01 0.95 -0.06 3.11 2.10 -0.95 -2.13 117.51 120.55 3d29 h ILE 155 Ca 0.03 -0.93 -0.21 0.00 1.08 0.00 0.00 64.86 64.83 3d29 h ILE 155 Cb 0.12 1.53 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 3d29 h ILE 155 CO -0.00 0.24 -0.85 0.28 -1.08 0.00 0.00 178.15 176.74 3d29 h SER 156 N 0.00 0.63 0.07 2.19 0.02 -1.11 -2.61 113.55 112.74 3d29 h SER 156 Ca -0.00 -0.45 -0.15 0.00 -0.84 0.00 0.00 61.79 60.34 3d29 h SER 156 Cb 0.51 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3d29 h SER 156 CO 0.03 1.23 -0.53 1.56 -1.14 0.00 0.00 176.83 177.98 3d29 h GLN 157 N 0.32 0.50 0.06 3.45 1.08 -1.03 -1.33 115.11 118.17 3d29 h GLN 157 Ca -0.06 -0.31 -0.00 0.00 -1.45 0.00 0.00 58.65 56.82 3d29 h GLN 157 Cb 1.46 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.92 3d29 h GLN 157 CO 0.15 0.91 -0.03 0.00 -0.95 0.00 0.00 178.83 178.92 3d29 h ALA 158 N 1.03 -0.08 0.35 3.87 0.00 -1.39 -2.44 119.26 120.59 3d29 h ALA 158 Ca 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3d29 h ALA 158 Cb 1.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3d29 h ALA 158 CO 0.10 -0.46 -0.17 1.25 0.00 0.00 0.00 179.25 179.97 3d29 h LEU 159 N -0.26 -0.40 -0.10 0.00 5.85 -1.43 -2.44 115.31 116.52 3d29 h LEU 159 Ca -0.01 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3d29 h LEU 159 Cb 0.23 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3d29 h LEU 159 CO 0.01 -0.26 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.71 3d29 h LEU 160 N -0.50 -0.22 -0.97 2.25 4.07 -1.30 -0.80 115.31 117.85 3d29 h LEU 160 Ca -0.05 0.05 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 3d29 h LEU 160 Cb 0.38 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 3d29 h LEU 160 CO 0.08 -0.09 -0.35 0.78 -1.08 0.00 0.00 178.44 177.78 3d29 h ASN 161 N -0.07 0.00 -0.04 -0.43 2.35 -1.51 -2.54 115.58 113.34 3d29 h ASN 161 Ca 0.06 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3d29 h ASN 161 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3d29 h ASN 161 CO -0.15 0.35 -0.17 0.00 -1.65 0.00 0.00 177.43 175.82 3d29 h ALA 162 N 1.65 0.07 0.00 -0.83 0.00 -1.18 -3.25 119.26 115.72 3d29 h ALA 162 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3d29 h ALA 162 Cb 0.87 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3d29 h ALA 162 CO 0.05 0.02 -0.07 0.00 0.00 0.00 0.00 179.25 179.25 3d29 h ALA 163 N 0.39 1.75 0.00 0.00 0.00 -1.05 -2.21 119.26 118.15 3d29 h ALA 163 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3d29 h ALA 163 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3d29 h ALA 163 CO 0.04 0.08 0.00 -0.25 0.00 0.00 0.00 179.25 179.12 3d29 n ASP 164 N -4.26 0.00 -0.88 0.00 10.43 -0.97 -2.07 116.55 118.80 3d29 n ASP 164 Ca -0.03 0.23 0.08 0.00 2.57 0.00 0.00 54.79 57.64 3d29 n ASP 164 Cb 0.15 -0.40 0.20 0.00 1.84 0.00 0.00 41.12 42.91 3d29 n ASP 164 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3d29 n ARG 165 N -1.40 2.56 -3.96 -1.24 5.12 -0.83 -4.90 116.66 112.01 3d29 n ARG 165 Ca 0.09 -2.16 -0.29 0.00 -1.93 0.00 0.00 57.85 53.56 3d29 n ARG 165 Cb 0.25 -1.38 -0.17 0.00 -1.16 0.00 0.00 32.46 30.01 3d29 n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3d29 s ASP 166 N -1.06 2.60 0.56 0.55 3.68 -0.88 -5.01 116.67 117.11 3d29 s ASP 166 Ca 0.31 -0.49 0.28 0.00 2.13 0.00 0.00 52.55 54.79 3d29 s ASP 166 Cb 0.17 -1.02 1.64 0.00 -1.45 0.00 0.00 42.92 42.25 3d29 s ASP 166 CO 0.22 -0.11 2.17 0.00 0.13 0.00 0.00 175.17 177.58 3d29 h ALA 167 N 8.10 1.41 -0.08 3.66 0.00 -1.91 -2.85 119.26 127.59 3d29 h ALA 167 Ca -0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3d29 h ALA 167 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3d29 h ALA 167 CO 0.46 0.07 0.00 1.28 0.00 0.00 0.00 179.25 181.07 3d29 n LEU 168 N -3.76 2.77 -4.49 0.00 4.77 -1.26 -4.96 117.00 110.08 3d29 n LEU 168 Ca -0.02 -0.98 -0.24 0.00 -0.03 0.00 0.00 56.01 54.74 3d29 n LEU 168 Cb 0.16 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 3d29 n LEU 168 CO 0.29 0.49 -0.43 -0.44 -1.33 0.00 0.00 177.39 175.97 3d29 s SER 169 N -1.92 3.51 0.00 -1.43 0.01 -1.08 -2.73 113.70 110.06 3d29 s SER 169 Ca 0.31 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.46 3d29 s SER 169 Cb 0.20 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.14 3d29 s SER 169 CO 0.31 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.46 3d29 n GLY 170 N -0.67 0.41 2.36 3.44 0.00 -1.26 -4.78 105.19 104.69 3d29 n GLY 170 Ca -0.05 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 3d29 n GLY 170 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3d29 n TRP 171 N 0.00 -0.34 0.00 1.61 7.02 -1.26 -2.30 117.44 122.17 3d29 n TRP 171 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3d29 n TRP 171 Cb 0.00 -2.88 0.00 0.00 -2.42 0.00 0.00 31.31 26.01 3d29 n TRP 171 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3d29 n GLY 172 N -1.08 2.73 3.53 6.99 0.00 -1.26 -4.51 105.19 111.59 3d29 n GLY 172 Ca -0.16 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 3d29 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d29 s ALA 173 N -2.12 -1.85 0.01 4.61 0.00 -1.26 -1.91 121.76 119.24 3d29 s ALA 173 Ca 0.00 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.23 3d29 s ALA 173 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3d29 s ALA 173 CO 0.00 -0.52 -0.10 0.54 0.00 0.00 0.00 175.76 175.68 3d29 s VAL 174 N -2.22 0.81 -0.00 0.00 0.11 -0.20 -1.35 120.40 117.56 3d29 s VAL 174 Ca 0.01 -0.67 0.06 0.00 -2.93 0.00 0.00 61.98 58.44 3d29 s VAL 174 Cb -0.01 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 3d29 s VAL 174 CO -0.03 0.06 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.93 3d29 s VAL 175 N -0.57 1.38 -0.13 2.04 1.01 0.51 -1.61 120.40 123.03 3d29 s VAL 175 Ca 0.01 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3d29 s VAL 175 Cb -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.16 3d29 s VAL 175 CO 0.00 0.33 -0.20 -0.31 0.00 0.00 0.00 175.10 174.92 3d29 s TYR 176 N -0.49 2.68 -0.26 5.22 2.02 -0.20 -0.95 117.35 125.37 3d29 s TYR 176 Ca 0.06 -1.09 -0.04 0.00 -0.37 0.00 0.00 57.07 55.63 3d29 s TYR 176 Cb -0.07 -1.81 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 3d29 s TYR 176 CO -0.00 -0.47 0.01 0.42 -1.57 0.00 0.00 175.55 173.94 3d29 s ILE 177 N 0.61 3.48 -0.19 2.71 -1.09 -0.11 -2.30 121.20 124.32 3d29 s ILE 177 Ca -0.11 -0.77 -0.03 0.00 -2.23 0.00 0.00 60.65 57.51 3d29 s ILE 177 Cb -0.16 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.95 3d29 s ILE 177 CO 0.03 0.19 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.25 3d29 s ILE 178 N 1.44 3.53 0.33 2.92 1.01 0.26 -1.33 121.20 129.35 3d29 s ILE 178 Ca 0.02 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.28 3d29 s ILE 178 Cb -0.16 -2.57 -0.06 0.00 0.01 0.00 0.00 42.46 39.67 3d29 s ILE 178 CO -0.01 0.46 -0.02 -0.54 0.00 0.00 0.00 174.94 174.82 3d29 s LYS 179 N 0.95 1.70 0.25 2.79 1.02 -0.04 -1.58 119.74 124.83 3d29 s LYS 179 Ca -0.00 -1.91 -0.04 0.00 0.02 0.00 0.00 55.97 54.04 3d29 s LYS 179 Cb -0.15 -1.27 0.44 0.00 -0.52 0.00 0.00 37.83 36.33 3d29 s LYS 179 CO 0.01 -0.02 1.78 0.87 -0.92 0.00 0.00 175.35 177.07 3d29 h LYS 181 N 2.10 0.64 0.02 1.68 1.79 -1.95 -3.22 116.57 117.63 3d29 h LYS 181 Ca -0.41 -0.04 -0.34 0.00 -2.18 0.00 0.00 60.65 57.68 3d29 h LYS 181 Cb 1.24 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 31.69 3d29 h LYS 181 CO 0.71 0.43 -2.07 -0.40 -1.08 0.00 0.00 179.45 177.04 3d29 n ASP 182 N -4.83 0.98 -4.13 0.86 5.75 -1.26 -5.02 116.55 108.89 3d29 n ASP 182 Ca 0.14 0.18 -0.09 0.00 -0.01 0.00 0.00 54.79 55.01 3d29 n ASP 182 Cb 0.34 0.07 -0.10 0.00 -1.03 0.00 0.00 41.12 40.40 3d29 n ASP 182 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3d29 s GLU 183 N -2.55 0.72 -0.08 0.11 -1.05 -1.22 -5.14 118.70 109.50 3d29 s GLU 183 Ca -0.13 -1.25 -0.01 0.00 -0.15 0.00 0.00 54.97 53.43 3d29 s GLU 183 Cb 0.07 -0.04 0.03 0.00 -0.44 0.00 0.00 34.13 33.75 3d29 s GLU 183 CO 0.79 -0.05 -0.02 0.08 0.95 0.00 0.00 175.26 177.00 3d29 s VAL 184 N -3.60 0.54 -0.11 1.83 1.01 -1.26 -0.86 120.40 117.95 3d29 s VAL 184 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 3d29 s VAL 184 Cb 0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 3d29 s VAL 184 CO -0.07 0.28 -0.03 -0.69 0.00 0.00 0.00 175.10 174.59 3d29 s VAL 185 N 1.73 3.97 -0.10 2.92 1.01 -0.44 -4.96 120.40 124.53 3d29 s VAL 185 Ca 0.02 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3d29 s VAL 185 Cb -0.13 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3d29 s VAL 185 CO -0.05 0.55 -0.14 -0.75 0.00 0.00 0.00 175.10 174.72 3d29 s LYS 186 N -0.31 3.02 -0.02 2.72 2.20 -1.26 -0.93 119.74 125.15 3d29 s LYS 186 Ca 0.05 -0.70 0.01 0.00 -0.36 0.00 0.00 55.97 54.98 3d29 s LYS 186 Cb -0.12 -2.52 0.01 0.00 -1.51 0.00 0.00 37.83 33.69 3d29 s LYS 186 CO 0.02 0.38 -0.03 1.03 -0.36 0.00 0.00 175.35 176.39 3d29 s ARG 187 N -0.09 0.47 -0.28 4.03 0.52 -0.13 -4.97 118.95 118.49 3d29 s ARG 187 Ca -0.02 -0.09 -0.14 0.00 -0.52 0.00 0.00 55.73 54.95 3d29 s ARG 187 Cb -0.14 -0.51 -0.04 0.00 0.52 0.00 0.00 34.95 34.79 3d29 s ARG 187 CO 0.04 0.00 0.34 0.71 0.02 0.00 0.00 175.30 176.41 3d29 s TYR 188 N 0.41 3.23 0.54 -0.53 1.51 -1.26 -0.36 117.35 120.89 3d29 s TYR 188 Ca -0.04 0.28 -0.13 0.00 -1.01 0.00 0.00 57.07 56.16 3d29 s TYR 188 Cb -0.08 -2.56 -0.06 0.00 -0.11 0.00 0.00 41.96 39.15 3d29 s TYR 188 CO -0.00 -0.25 0.97 -0.51 -1.11 0.00 0.00 175.55 174.64 3d29 s LEU 189 N 2.01 3.50 -0.22 -1.29 1.43 -0.46 -5.00 118.68 118.65 3d29 s LEU 189 Ca 0.13 1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 3d29 s LEU 189 Cb -0.16 -4.42 -0.05 0.00 0.03 0.00 0.00 46.19 41.59 3d29 s LEU 189 CO 0.10 -0.67 0.19 -0.75 0.23 0.00 0.00 176.35 175.45 3d29 s LYS 190 N -4.47 4.12 0.20 1.70 2.20 -1.26 -4.27 119.74 117.95 3d29 s LYS 190 Ca 0.56 -0.19 -0.12 0.00 -0.36 0.00 0.00 55.97 55.86 3d29 s LYS 190 Cb -0.10 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3d29 s LYS 190 CO 0.40 0.11 0.39 0.00 -0.36 0.00 0.00 175.35 175.89 3d29 s MET 191 N 0.90 1.32 0.62 4.03 0.23 -1.26 -5.07 119.30 120.07 3d29 s MET 191 Ca 0.09 -1.14 -0.17 0.00 -1.03 0.00 0.00 55.69 53.44 3d29 s MET 191 Cb -0.13 0.43 -0.08 0.00 -1.53 0.00 0.00 34.83 33.52 3d29 s MET 191 CO 0.03 -0.52 0.39 0.54 -2.03 0.00 0.00 175.02 173.43 3d29 n ARG 192 N -0.29 0.36 -0.51 3.16 1.74 -1.26 -4.81 116.66 115.05 3d29 n ARG 192 Ca -0.06 0.15 0.06 0.00 -0.77 0.00 0.00 57.85 57.23 3d29 n ARG 192 Cb 0.63 -1.62 0.20 0.00 -1.02 0.00 0.00 32.46 30.64 3d29 n ARG 192 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3d29 n GLN 193 N 0.04 1.58 0.00 5.56 1.13 -1.26 -4.22 117.38 120.21 3d29 n GLN 193 Ca 0.10 -3.14 0.06 0.00 -1.94 0.00 0.00 57.00 52.08 3d29 n GLN 193 Cb 0.48 -1.62 0.05 0.00 0.11 0.00 0.00 30.24 29.27 3d29 n GLN 193 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22