#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6d s SER 2 N 0.00 -0.07 0.27 1.61 0.15 -1.26 -5.19 113.70 109.21 1x6d s SER 2 Ca 0.00 -0.20 -0.18 0.00 0.70 0.00 0.00 55.95 56.27 1x6d s SER 2 Cb 0.00 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.54 1x6d s SER 2 CO 0.00 -0.42 0.62 -0.94 1.20 0.00 0.00 173.24 173.70 1x6d s SER 3 N -3.04 -0.19 0.00 5.45 1.04 -1.26 -5.18 113.70 110.52 1x6d s SER 3 Ca 0.15 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1x6d s SER 3 Cb 0.03 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1x6d s SER 3 CO -0.02 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.54 1x6d n GLY 4 N -0.43 -0.45 3.46 7.32 0.00 -1.26 -5.19 105.19 108.64 1x6d n GLY 4 Ca -0.03 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 1x6d n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6d s SER 5 N 0.00 0.09 0.27 1.61 0.15 -1.26 -5.09 113.70 109.47 1x6d s SER 5 Ca 0.00 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.52 1x6d s SER 5 Cb 0.00 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1x6d s SER 5 CO 0.00 -1.06 0.00 -1.20 1.20 0.00 0.00 173.24 172.18 1x6d n SER 6 N -0.45 -0.57 0.00 5.45 7.64 -1.26 -5.18 113.62 119.25 1x6d n SER 6 Ca -0.00 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1x6d n SER 6 Cb 0.63 0.72 0.00 0.00 -1.01 0.00 0.00 64.21 64.55 1x6d n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6d n GLY 7 N 1.16 -0.86 3.78 0.23 0.00 -1.26 -5.09 105.19 103.15 1x6d n GLY 7 Ca 0.00 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 1x6d n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d s ALA 8 N -1.67 -1.28 -0.20 4.61 0.00 -1.26 -5.18 121.76 116.79 1x6d s ALA 8 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 1x6d s ALA 8 Cb 0.00 0.86 0.06 0.00 0.00 0.00 0.00 23.12 24.04 1x6d s ALA 8 CO 0.00 -0.99 0.50 0.99 0.00 0.00 0.00 175.76 176.26 1x6d s THR 9 N -3.89 -0.01 -0.19 0.00 2.01 -1.26 -5.16 115.64 107.14 1x6d s THR 9 Ca 0.09 0.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.93 1x6d s THR 9 Cb -0.05 -0.72 0.05 0.00 0.01 0.00 0.00 72.50 71.79 1x6d s THR 9 CO 0.03 0.01 0.53 -0.76 -0.69 0.00 0.00 174.62 173.75 1x6d s LEU 10 N 0.83 -0.04 0.09 4.42 1.43 -1.26 -5.17 118.68 118.98 1x6d s LEU 10 Ca -0.05 1.04 0.04 0.00 -1.03 0.00 0.00 54.13 54.13 1x6d s LEU 10 Cb -0.05 1.84 -0.03 0.00 0.03 0.00 0.00 46.19 47.97 1x6d s LEU 10 CO -0.07 -0.21 -0.11 -0.75 0.23 0.00 0.00 176.35 175.45 1x6d s LYS 11 N 0.19 0.82 -0.32 1.70 2.47 -1.26 -5.07 119.74 118.28 1x6d s LYS 11 Ca -0.01 -1.09 0.03 0.00 -1.56 0.00 0.00 55.97 53.35 1x6d s LYS 11 Cb -0.04 -0.57 0.32 0.00 -1.46 0.00 0.00 37.83 36.08 1x6d s LYS 11 CO 0.01 0.10 1.41 0.94 0.16 0.00 0.00 175.35 177.97 1x6d n GLN 12 N 0.76 0.10 -3.60 4.03 7.27 -1.26 -5.16 117.38 119.52 1x6d n GLN 12 Ca -0.17 -0.64 -0.07 0.00 0.07 0.00 0.00 57.00 56.19 1x6d n GLN 12 Cb 0.57 -0.10 -0.04 0.00 2.41 0.00 0.00 30.24 33.07 1x6d n GLN 12 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1x6d s LEU 13 N -1.01 -0.23 1.02 1.69 1.98 -1.26 -5.16 118.68 115.72 1x6d s LEU 13 Ca 0.21 0.19 -0.19 0.00 -2.89 0.00 0.00 54.13 51.45 1x6d s LEU 13 Cb 0.29 1.55 -0.04 0.00 0.66 0.00 0.00 46.19 48.65 1x6d s LEU 13 CO -0.20 -0.25 -0.42 -0.67 -1.89 0.00 0.00 176.35 172.93 1x6d n ASP 14 N 0.46 -3.27 -2.76 3.68 -0.08 -1.26 -4.72 116.55 108.59 1x6d n ASP 14 Ca -0.05 0.09 -0.28 0.00 -1.51 0.00 0.00 54.79 53.04 1x6d n ASP 14 Cb 0.59 -0.88 -0.09 0.00 2.34 0.00 0.00 41.12 43.08 1x6d n ASP 14 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x6d n GLY 15 N 2.54 3.78 3.37 0.27 0.00 -1.26 -4.85 105.19 109.04 1x6d n GLY 15 Ca 0.01 -1.41 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 1x6d n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x6d s ILE 16 N 1.45 2.14 -0.05 -0.61 -1.09 -1.26 -3.46 121.20 118.32 1x6d s ILE 16 Ca 0.68 -1.76 -0.02 0.00 -2.23 0.00 0.00 60.65 57.32 1x6d s ILE 16 Cb 0.24 -1.92 0.03 0.00 -1.58 0.00 0.00 42.46 39.24 1x6d s ILE 16 CO -0.04 0.01 0.05 -2.28 -1.23 0.00 0.00 174.94 171.46 1x6d s HIS 17 N -1.20 0.15 0.42 3.97 2.46 -1.16 -5.04 115.29 114.89 1x6d s HIS 17 Ca 0.13 0.19 -0.23 0.00 0.47 0.00 0.00 55.06 55.62 1x6d s HIS 17 Cb -0.10 -0.53 -0.09 0.00 -0.13 0.00 0.00 32.58 31.73 1x6d s HIS 17 CO 0.06 -0.22 1.03 0.08 -2.47 0.00 0.00 174.74 173.22 1x6d s VAL 18 N 2.14 3.86 -0.19 0.89 1.01 -1.26 -3.88 120.40 122.96 1x6d s VAL 18 Ca 0.05 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1x6d s VAL 18 Cb -0.12 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1x6d s VAL 18 CO -0.03 -0.08 -0.17 0.28 0.00 0.00 0.00 175.10 175.10 1x6d s THR 19 N -1.79 2.30 -0.28 3.92 -1.32 -0.90 -5.02 115.64 112.54 1x6d s THR 19 Ca 0.60 -0.88 0.01 0.00 -1.21 0.00 0.00 61.69 60.21 1x6d s THR 19 Cb -0.19 -1.99 0.06 0.00 -1.51 0.00 0.00 72.50 68.87 1x6d s THR 19 CO 0.24 0.50 -0.05 -0.63 -2.21 0.00 0.00 174.62 172.47 1x6d s ILE 20 N 1.32 2.51 -0.14 5.08 -1.09 -1.26 -3.33 121.20 124.28 1x6d s ILE 20 Ca 0.05 -1.61 -0.01 0.00 -2.23 0.00 0.00 60.65 56.84 1x6d s ILE 20 Cb -0.13 -2.50 -0.02 0.00 -1.58 0.00 0.00 42.46 38.23 1x6d s ILE 20 CO -0.11 -0.12 -0.10 -0.76 -1.23 0.00 0.00 174.94 172.63 1x6d s LEU 21 N 1.14 2.92 -0.52 2.97 2.01 -1.23 -5.00 118.68 120.97 1x6d s LEU 21 Ca -0.06 -0.24 -0.15 0.00 0.01 0.00 0.00 54.13 53.69 1x6d s LEU 21 Cb -0.20 -1.67 0.12 0.00 0.01 0.00 0.00 46.19 44.45 1x6d s LEU 21 CO -0.04 0.18 0.46 -1.00 1.01 0.00 0.00 176.35 176.96 1x6d s HIS 22 N 0.30 3.28 0.54 0.29 3.76 -1.26 -2.99 115.29 119.21 1x6d s HIS 22 Ca -0.08 -1.35 0.02 0.00 -0.15 0.00 0.00 55.06 53.51 1x6d s HIS 22 Cb -0.15 -3.67 0.02 0.00 1.11 0.00 0.00 32.58 29.89 1x6d s HIS 22 CO 0.05 -0.99 0.19 0.36 -0.85 0.00 0.00 174.74 173.49 1x6d n LYS 23 N 5.19 0.70 -3.57 1.40 2.85 0.50 -5.01 118.16 120.22 1x6d n LYS 23 Ca -0.13 -3.66 -0.22 0.00 -1.05 0.00 0.00 58.31 53.25 1x6d n LYS 23 Cb 0.41 0.73 -0.01 0.00 -0.65 0.00 0.00 35.03 35.50 1x6d n LYS 23 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1x6d s GLU 24 N -4.07 3.35 -0.39 -1.58 2.02 -1.26 -4.46 118.70 112.30 1x6d s GLU 24 Ca 0.14 -0.64 -0.44 0.00 0.02 0.00 0.00 54.97 54.05 1x6d s GLU 24 Cb -0.01 -2.76 -0.18 0.00 0.10 0.00 0.00 34.13 31.27 1x6d s GLU 24 CO 0.09 0.19 1.65 0.39 0.02 0.00 0.00 175.26 177.60 1x6d n GLU 25 N -1.65 0.50 -3.24 1.61 -0.58 -1.26 0.17 120.64 116.18 1x6d n GLU 25 Ca -0.05 0.18 -0.23 0.00 -0.42 0.00 0.00 57.16 56.65 1x6d n GLU 25 Cb 0.57 -1.76 0.01 0.00 -0.57 0.00 0.00 31.44 29.69 1x6d n GLU 25 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x6d n GLY 26 N 4.03 -0.50 0.11 0.62 0.00 -1.09 -4.83 105.19 103.53 1x6d n GLY 26 Ca 0.29 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 1x6d n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d h ALA 27 N 0.98 0.32 0.00 4.61 0.00 0.15 -3.50 119.26 121.82 1x6d h ALA 27 Ca -0.45 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1x6d h ALA 27 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1x6d h ALA 27 CO 0.54 0.99 0.00 0.41 0.00 0.00 0.00 179.25 181.19 1x6d n GLY 28 N 1.21 1.65 0.12 0.00 0.00 -1.26 -4.90 105.19 102.01 1x6d n GLY 28 Ca -0.05 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.76 1x6d n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x6d n LEU 29 N 0.00 2.12 0.00 0.99 4.77 -1.26 -4.83 117.00 118.79 1x6d n LEU 29 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1x6d n LEU 29 Cb 0.00 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1x6d n LEU 29 CO 0.00 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1x6d n GLY 30 N 1.55 1.44 3.46 -0.72 0.00 -1.26 -1.13 105.19 108.53 1x6d n GLY 30 Ca -0.40 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 1x6d n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x6d s PHE 31 N -2.00 1.99 0.38 1.61 -0.71 -1.26 0.31 117.98 118.30 1x6d s PHE 31 Ca 0.00 -0.94 0.04 0.00 -1.04 0.00 0.00 56.93 54.99 1x6d s PHE 31 Cb 0.00 -1.31 -0.05 0.00 -1.21 0.00 0.00 43.02 40.46 1x6d s PHE 31 CO 0.00 0.03 0.07 -1.12 -1.34 0.00 0.00 175.22 172.86 1x6d s SER 32 N -3.50 2.84 0.32 1.98 0.01 -0.65 -4.96 113.70 109.75 1x6d s SER 32 Ca 0.36 -1.50 0.03 0.00 1.31 0.00 0.00 55.95 56.16 1x6d s SER 32 Cb 0.09 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 1x6d s SER 32 CO 0.16 -0.72 0.48 -0.76 0.41 0.00 0.00 173.24 172.81 1x6d s LEU 33 N -3.59 4.07 0.08 2.44 1.43 -1.26 -2.49 118.68 119.36 1x6d s LEU 33 Ca 0.29 0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 1x6d s LEU 33 Cb 0.06 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 1x6d s LEU 33 CO 0.14 -0.30 -0.13 0.00 0.23 0.00 0.00 176.35 176.29 1x6d s ALA 34 N -2.19 1.15 0.00 4.21 0.00 0.41 -4.09 121.76 121.24 1x6d s ALA 34 Ca 0.40 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1x6d s ALA 34 Cb -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1x6d s ALA 34 CO 0.33 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.60 1x6d n GLY 35 N 1.08 0.28 0.00 0.00 0.00 -1.26 -2.46 105.19 102.83 1x6d n GLY 35 Ca -0.20 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1x6d n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x6d n GLY 36 N 0.00 3.51 0.19 -0.02 0.00 -1.26 -4.38 105.19 103.24 1x6d n GLY 36 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1x6d n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d n ALA 37 N -3.00 1.24 0.75 4.61 0.00 -0.86 -2.83 120.51 120.41 1x6d n ALA 37 Ca 0.00 -0.95 0.13 0.00 0.00 0.00 0.00 53.44 52.63 1x6d n ALA 37 Cb 0.00 0.13 0.47 0.00 0.00 0.00 0.00 19.45 20.05 1x6d n ALA 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x6d n ASP 38 N -4.23 0.55 -3.56 0.00 2.03 -1.26 -4.32 116.55 105.77 1x6d n ASP 38 Ca -0.39 0.55 -0.30 0.00 0.52 0.00 0.00 54.79 55.16 1x6d n ASP 38 Cb 0.74 -0.70 0.26 0.00 -0.72 0.00 0.00 41.12 40.71 1x6d n ASP 38 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1x6d s LEU 39 N -4.03 -0.02 0.44 -2.67 1.02 -1.26 -4.84 118.68 107.31 1x6d s LEU 39 Ca 0.12 0.62 0.23 0.00 0.02 0.00 0.00 54.13 55.12 1x6d s LEU 39 Cb 0.14 -2.19 1.23 0.00 0.02 0.00 0.00 46.19 45.39 1x6d s LEU 39 CO 0.58 -4.67 1.79 -0.33 0.02 0.00 0.00 176.35 173.74 1x6d h GLU 40 N -2.95 0.27 -6.03 1.70 5.08 -1.90 -3.41 114.58 107.34 1x6d h GLU 40 Ca -0.43 -0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.38 1x6d h GLU 40 Cb 1.30 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 1x6d h GLU 40 CO 0.29 0.18 -0.41 0.54 -1.00 0.00 0.00 179.01 178.61 1x6d s ASN 41 N -5.27 4.75 -0.08 1.42 2.20 -1.26 -5.06 114.94 111.63 1x6d s ASN 41 Ca -0.08 -0.96 -0.02 0.00 -0.94 0.00 0.00 52.86 50.87 1x6d s ASN 41 Cb 0.25 -0.36 -0.05 0.00 -2.00 0.00 0.00 41.25 39.09 1x6d s ASN 41 CO 0.80 -0.69 -0.09 1.17 -2.94 0.00 0.00 177.10 175.35 1x6d n LYS 42 N -1.47 0.19 -3.00 3.55 3.00 -1.13 -3.77 118.16 115.53 1x6d n LYS 42 Ca 0.01 0.06 -0.41 0.00 -0.00 0.00 0.00 58.31 57.97 1x6d n LYS 42 Cb 0.63 -1.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.61 1x6d n LYS 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x6d s VAL 43 N -2.16 4.88 0.73 3.15 0.11 -1.25 -4.00 120.40 121.87 1x6d s VAL 43 Ca -0.11 1.25 -0.16 0.00 -2.93 0.00 0.00 61.98 60.03 1x6d s VAL 43 Cb 0.04 -4.06 0.04 0.00 -1.53 0.00 0.00 36.38 30.87 1x6d s VAL 43 CO 0.17 -0.10 1.23 -0.38 -3.33 0.00 0.00 175.10 172.69 1x6d n ILE 44 N 5.33 3.44 -4.18 7.04 -0.00 -1.26 -4.83 119.36 124.91 1x6d n ILE 44 Ca 0.02 -0.35 -0.11 0.00 -0.00 0.00 0.00 62.75 62.31 1x6d n ILE 44 Cb 0.48 -1.33 -0.10 0.00 -0.00 0.00 0.00 39.64 38.69 1x6d n ILE 44 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1x6d s THR 45 N -1.76 0.04 -0.80 1.39 -4.23 -1.03 -1.31 115.64 107.94 1x6d s THR 45 Ca 0.78 -1.96 -0.26 0.00 -1.18 0.00 0.00 61.69 59.07 1x6d s THR 45 Cb -0.34 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.18 1x6d s THR 45 CO 0.46 -0.17 1.56 -0.69 -0.54 0.00 0.00 174.62 175.24 1x6d s VAL 46 N -4.12 3.64 0.11 2.29 1.01 -1.08 0.16 120.40 122.40 1x6d s VAL 46 Ca 0.33 -0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 1x6d s VAL 46 Cb 0.07 -4.58 -0.11 0.00 0.00 0.00 0.00 36.38 31.76 1x6d s VAL 46 CO 0.08 -1.51 1.59 -0.74 0.00 0.00 0.00 175.10 174.53 1x6d h HIS 47 N 11.35 -1.12 -3.39 5.22 2.76 -1.63 0.96 115.15 129.30 1x6d h HIS 47 Ca -0.10 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.03 1x6d h HIS 47 Cb 1.06 0.46 -0.14 0.00 1.55 0.00 0.00 27.41 30.34 1x6d h HIS 47 CO 1.16 -0.52 -0.12 1.03 -1.30 0.00 0.00 177.93 178.18 1x6d s ARG 48 N -5.94 1.01 -0.37 5.26 3.00 -1.26 -4.59 118.95 116.07 1x6d s ARG 48 Ca -0.17 -0.68 0.02 0.00 0.00 0.00 0.00 55.73 54.90 1x6d s ARG 48 Cb 0.07 0.44 0.11 0.00 0.00 0.00 0.00 34.95 35.57 1x6d s ARG 48 CO 0.63 -0.38 0.12 0.08 0.00 0.00 0.00 175.30 175.75 1x6d s VAL 49 N -3.58 1.74 0.54 3.52 1.01 -1.26 -1.63 120.40 120.74 1x6d s VAL 49 Ca 0.02 -2.19 -0.16 0.00 0.00 0.00 0.00 61.98 59.65 1x6d s VAL 49 Cb 0.02 -2.28 -0.13 0.00 0.00 0.00 0.00 36.38 33.99 1x6d s VAL 49 CO -0.10 -0.69 -0.24 0.49 0.00 0.00 0.00 175.10 174.56 1x6d n PHE 50 N 4.20 -2.98 0.17 5.22 3.72 0.15 -4.84 117.46 123.09 1x6d n PHE 50 Ca 0.03 0.30 0.04 0.00 -0.05 0.00 0.00 57.45 57.77 1x6d n PHE 50 Cb 0.40 -1.43 0.22 0.00 -0.94 0.00 0.00 39.48 37.72 1x6d n PHE 50 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1x6d h PRO 51 N -0.20 0.00 -3.34 -1.08 0.13 -2.00 -3.37 132.00 122.14 1x6d h PRO 51 Ca -0.36 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.11 1x6d h PRO 51 Cb 1.24 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.98 1x6d h PRO 51 CO 0.33 0.45 -0.48 -0.80 -0.23 0.00 0.00 178.00 177.28 1x6d s ASN 52 N -6.46 4.89 0.00 1.44 0.01 -1.26 -4.92 114.94 108.64 1x6d s ASN 52 Ca 0.01 -3.29 0.00 0.00 -0.71 0.00 0.00 52.86 48.87 1x6d s ASN 52 Cb 0.10 -1.73 0.00 0.00 0.41 0.00 0.00 41.25 40.03 1x6d s ASN 52 CO 0.71 -0.22 0.00 0.61 -1.51 0.00 0.00 177.10 176.69 1x6d n GLY 53 N 2.80 1.97 0.09 0.66 0.00 -1.26 -4.88 105.19 104.57 1x6d n GLY 53 Ca 0.12 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 1x6d n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x6d n LEU 54 N 0.00 1.86 -0.46 0.99 4.77 -0.28 -3.13 117.00 120.75 1x6d n LEU 54 Ca 0.00 0.49 0.37 0.00 -0.03 0.00 0.00 56.01 56.84 1x6d n LEU 54 Cb 0.00 -0.89 0.66 0.00 -2.33 0.00 0.00 43.42 40.86 1x6d n LEU 54 CO 0.00 -0.04 1.27 0.00 -1.33 0.00 0.00 177.39 177.30 1x6d h ALA 55 N -0.79 2.86 -0.00 -1.18 0.00 -1.81 1.13 119.26 119.45 1x6d h ALA 55 Ca -0.22 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1x6d h ALA 55 Cb 1.00 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1x6d h ALA 55 CO -0.13 -1.43 -0.35 1.03 0.00 0.00 0.00 179.25 178.36 1x6d h SER 56 N 0.10 0.31 -0.35 0.00 0.87 -1.81 -0.53 113.55 112.14 1x6d h SER 56 Ca 0.79 -0.77 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1x6d h SER 56 Cb 2.59 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 64.40 1x6d h SER 56 CO -0.32 1.04 0.02 1.56 -0.53 0.00 0.00 176.83 178.60 1x6d h GLN 57 N -0.38 0.12 0.47 2.24 4.20 0.12 -2.95 115.11 118.92 1x6d h GLN 57 Ca -0.04 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1x6d h GLN 57 Cb 1.09 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1x6d h GLN 57 CO 0.07 0.08 -0.22 1.49 -0.67 0.00 0.00 178.83 179.57 1x6d h GLU 58 N 0.12 -0.61 0.00 1.46 4.57 -0.56 -3.48 114.58 116.09 1x6d h GLU 58 Ca 0.17 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1x6d h GLU 58 Cb 0.23 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1x6d h GLU 58 CO -0.27 -0.30 0.00 0.41 -1.18 0.00 0.00 179.01 177.67 1x6d n GLY 59 N -0.34 0.77 0.11 1.92 0.00 -0.21 -4.97 105.19 102.48 1x6d n GLY 59 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1x6d n GLY 59 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x6d h THR 60 N 0.00 1.49 -3.06 2.61 2.02 -1.89 -3.40 112.91 110.69 1x6d h THR 60 Ca 0.00 -1.83 -0.73 0.00 0.77 0.00 0.00 66.41 64.62 1x6d h THR 60 Cb 0.00 2.58 -0.22 0.00 -1.74 0.00 0.00 68.15 68.77 1x6d h THR 60 CO 0.00 0.51 0.07 -0.63 0.37 0.00 0.00 175.52 175.83 1x6d s ILE 61 N -3.37 5.05 -0.01 3.11 1.01 -1.26 -5.03 121.20 120.69 1x6d s ILE 61 Ca -0.15 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.10 1x6d s ILE 61 Cb 0.02 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 1x6d s ILE 61 CO 0.75 -1.07 -0.01 -1.10 0.00 0.00 0.00 174.94 173.51 1x6d s GLN 62 N 1.99 2.79 0.16 2.79 -0.21 -1.26 -4.62 119.66 121.30 1x6d s GLN 62 Ca 0.11 -0.59 -0.34 0.00 0.02 0.00 0.00 55.36 54.57 1x6d s GLN 62 Cb -0.22 -2.67 -0.15 0.00 1.00 0.00 0.00 33.01 30.97 1x6d s GLN 62 CO 0.02 0.63 1.34 0.36 -2.12 0.00 0.00 175.29 175.52 1x6d n LYS 63 N 1.54 1.52 0.00 2.91 2.85 -1.26 -0.82 118.16 124.90 1x6d n LYS 63 Ca -0.15 0.55 0.00 0.00 -1.05 0.00 0.00 58.31 57.65 1x6d n LYS 63 Cb 0.53 -2.17 0.00 0.00 -0.65 0.00 0.00 35.03 32.74 1x6d n LYS 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1x6d n GLY 64 N 2.43 2.63 3.29 2.58 0.00 0.33 -4.97 105.19 111.49 1x6d n GLY 64 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1x6d n GLY 64 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x6d n ASN 65 N 0.00 -2.41 -4.50 1.61 5.03 -0.00 -4.68 115.26 110.31 1x6d n ASN 65 Ca 0.00 -0.21 -0.34 0.00 0.87 0.00 0.00 54.58 54.90 1x6d n ASN 65 Cb 0.00 -1.00 -0.12 0.00 -1.02 0.00 0.00 39.78 37.64 1x6d n ASN 65 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1x6d s GLU 66 N -3.72 3.70 -0.35 3.52 2.12 -1.26 -2.65 118.70 120.06 1x6d s GLU 66 Ca 0.58 -0.49 -0.13 0.00 0.36 0.00 0.00 54.97 55.29 1x6d s GLU 66 Cb -0.14 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 1x6d s GLU 66 CO 0.63 0.13 0.25 0.08 -0.54 0.00 0.00 175.26 175.81 1x6d s VAL 67 N 0.69 5.24 -0.14 3.70 1.01 -0.42 -3.90 120.40 126.57 1x6d s VAL 67 Ca -0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 1x6d s VAL 67 Cb -0.14 -3.74 -0.25 0.00 0.00 0.00 0.00 36.38 32.25 1x6d s VAL 67 CO 0.02 -0.08 0.53 -0.07 0.00 0.00 0.00 175.10 175.50 1x6d h LEU 68 N 8.51 0.16 -8.15 3.92 3.38 -1.38 -3.36 115.31 118.39 1x6d h LEU 68 Ca -0.30 -0.79 -0.11 0.00 0.09 0.00 0.00 57.88 56.77 1x6d h LEU 68 Cb 1.15 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.73 1x6d h LEU 68 CO 0.65 1.40 -0.30 -0.94 0.09 0.00 0.00 178.44 179.34 1x6d s SER 69 N -6.75 0.02 -0.09 -0.43 1.04 -1.25 -2.82 113.70 103.42 1x6d s SER 69 Ca -0.22 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.25 1x6d s SER 69 Cb 0.03 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.66 1x6d s SER 69 CO 0.69 -0.94 0.19 -0.63 0.98 0.00 0.00 173.24 173.53 1x6d s ILE 70 N -3.99 -0.27 0.00 -1.02 1.01 -0.64 -3.01 121.20 113.28 1x6d s ILE 70 Ca 0.20 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1x6d s ILE 70 Cb 0.03 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.17 1x6d s ILE 70 CO 0.03 0.13 0.00 -3.20 0.00 0.00 0.00 174.94 171.90 1x6d n ASN 71 N 5.21 0.00 0.00 3.58 2.85 0.53 -2.45 115.26 124.99 1x6d n ASN 71 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1x6d n ASN 71 Cb 0.50 -0.08 0.00 0.00 1.24 0.00 0.00 39.78 41.44 1x6d n ASN 71 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x6d n GLY 72 N -2.00 0.78 3.50 8.20 0.00 -1.20 -4.75 105.19 109.71 1x6d n GLY 72 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1x6d n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x6d s LYS 73 N -0.70 3.66 0.67 1.61 2.20 -1.02 -5.07 119.74 121.09 1x6d s LYS 73 Ca 0.00 -0.50 -0.12 0.00 -0.36 0.00 0.00 55.97 54.99 1x6d s LYS 73 Cb 0.00 -3.54 -0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1x6d s LYS 73 CO 0.00 -0.27 1.06 -1.12 -0.36 0.00 0.00 175.35 174.66 1x6d s SER 74 N 1.67 5.48 -0.56 1.43 0.01 -1.26 -1.62 113.70 118.85 1x6d s SER 74 Ca 0.06 1.65 -0.23 0.00 1.31 0.00 0.00 55.95 58.74 1x6d s SER 74 Cb -0.16 -2.50 0.05 0.00 0.21 0.00 0.00 66.02 63.62 1x6d s SER 74 CO 0.07 -1.37 0.89 -0.76 0.41 0.00 0.00 173.24 172.48 1x6d s LEU 75 N -5.33 4.31 -0.02 2.44 1.43 -1.13 -4.85 118.68 115.54 1x6d s LEU 75 Ca 0.59 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1x6d s LEU 75 Cb -0.14 -2.69 0.25 0.00 0.03 0.00 0.00 46.19 43.64 1x6d s LEU 75 CO 0.51 -1.20 1.14 2.29 0.23 0.00 0.00 176.35 179.32 1x6d n LYS 76 N 7.26 1.79 0.00 1.70 0.00 -1.26 -4.71 118.16 122.95 1x6d n LYS 76 Ca -0.01 -0.99 0.00 0.00 -0.00 0.00 0.00 58.31 57.31 1x6d n LYS 76 Cb 0.47 -1.34 0.00 0.00 -0.00 0.00 0.00 35.03 34.16 1x6d n LYS 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x6d n GLY 77 N 0.76 1.93 3.75 2.58 0.00 -1.26 -5.10 105.19 107.86 1x6d n GLY 77 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1x6d n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x6d n THR 78 N -0.27 1.96 -1.42 2.61 -1.04 -1.26 -4.42 114.28 110.44 1x6d n THR 78 Ca 0.00 -0.49 -0.26 0.00 -2.04 0.00 0.00 64.05 61.26 1x6d n THR 78 Cb 0.00 -1.85 0.20 0.00 -1.82 0.00 0.00 70.33 66.86 1x6d n THR 78 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x6d n THR 79 N 0.46 0.00 -0.27 12.58 -2.24 -1.26 -2.03 114.28 121.51 1x6d n THR 79 Ca 0.03 -0.65 -0.06 0.00 -2.27 0.00 0.00 64.05 61.09 1x6d n THR 79 Cb 0.38 -1.41 0.06 0.00 -2.10 0.00 0.00 70.33 67.26 1x6d n THR 79 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1x6d h HIS 80 N -2.08 1.15 0.27 4.78 2.76 -1.92 0.12 115.15 120.23 1x6d h HIS 80 Ca -0.37 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 57.70 1x6d h HIS 80 Cb 1.05 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1x6d h HIS 80 CO 0.00 0.89 -0.13 1.25 -1.30 0.00 0.00 177.93 178.64 1x6d h HIS 81 N 1.09 -0.33 -0.58 5.26 -0.00 -1.92 0.11 115.15 118.77 1x6d h HIS 81 Ca 0.25 -0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.78 1x6d h HIS 81 Cb 0.23 0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 1x6d h HIS 81 CO 0.02 -0.15 0.64 -0.44 -0.00 0.00 0.00 177.93 178.01 1x6d h ASP 82 N -1.07 0.00 0.00 3.26 5.19 -1.91 0.34 116.42 122.22 1x6d h ASP 82 Ca -0.04 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 1x6d h ASP 82 Cb 0.34 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1x6d h ASP 82 CO 0.06 0.00 -0.24 0.00 -3.12 0.00 0.00 179.24 175.94 1x6d h ALA 83 N 1.26 0.04 -0.60 3.45 0.00 -0.71 -2.56 119.26 120.14 1x6d h ALA 83 Ca 0.28 -0.47 0.12 0.00 0.00 0.00 0.00 54.91 54.83 1x6d h ALA 83 Cb 1.56 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 19.41 1x6d h ALA 83 CO -0.00 0.15 0.03 -0.07 0.00 0.00 0.00 179.25 179.36 1x6d h LEU 84 N -1.00 -0.21 0.84 0.00 4.07 0.19 0.48 115.31 119.68 1x6d h LEU 84 Ca -0.05 0.14 -0.04 0.00 0.08 0.00 0.00 57.88 58.01 1x6d h LEU 84 Cb 0.73 0.24 0.01 0.00 1.08 0.00 0.00 40.66 42.72 1x6d h LEU 84 CO -0.03 -0.09 -0.40 0.00 -1.08 0.00 0.00 178.44 176.84 1x6d h ALA 85 N 1.53 -1.13 -0.94 1.53 0.00 -0.61 0.38 119.26 120.02 1x6d h ALA 85 Ca 0.32 -0.25 0.25 0.00 0.00 0.00 0.00 54.91 55.23 1x6d h ALA 85 Cb 0.50 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 18.60 1x6d h ALA 85 CO -0.49 -1.13 0.46 0.82 0.00 0.00 0.00 179.25 178.90 1x6d h ILE 86 N -1.13 0.41 -0.32 0.00 2.04 -0.86 1.67 117.51 119.33 1x6d h ILE 86 Ca -0.12 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 1x6d h ILE 86 Cb 0.86 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1x6d h ILE 86 CO 0.19 0.07 -0.06 0.25 0.00 0.00 0.00 178.15 178.60 1x6d h LEU 87 N 0.39 0.50 -0.99 1.44 7.12 0.45 0.21 115.31 124.43 1x6d h LEU 87 Ca 0.62 -0.11 -0.10 0.00 0.13 0.00 0.00 57.88 58.42 1x6d h LEU 87 Cb 1.26 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.25 1x6d h LEU 87 CO -0.56 0.61 -0.50 0.08 -0.13 0.00 0.00 178.44 177.95 1x6d h ARG 88 N 0.49 0.00 0.02 1.25 0.11 0.45 -2.79 114.38 113.91 1x6d h ARG 88 Ca 0.10 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.97 1x6d h ARG 88 Cb 0.42 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.47 1x6d h ARG 88 CO 0.02 0.50 -1.00 1.96 0.10 0.00 0.00 179.97 181.55 1x6d h GLN 89 N 0.00 0.04 0.00 0.08 4.20 0.22 -3.00 115.11 116.65 1x6d h GLN 89 Ca -0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1x6d h GLN 89 Cb 0.90 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1x6d h GLN 89 CO 0.06 1.00 0.00 0.00 -0.67 0.00 0.00 178.83 179.23 1x6d n ALA 90 N -2.38 1.85 1.01 3.87 0.00 -0.02 -1.36 120.51 123.47 1x6d n ALA 90 Ca -0.01 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.47 1x6d n ALA 90 Cb 0.92 -1.27 0.07 0.00 0.00 0.00 0.00 19.45 19.17 1x6d n ALA 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x6d n ARG 91 N -1.39 0.06 -0.21 0.00 1.74 -1.13 -4.16 116.66 111.57 1x6d n ARG 91 Ca 0.06 -0.04 -0.07 0.00 -0.77 0.00 0.00 57.85 57.03 1x6d n ARG 91 Cb 0.16 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1x6d n ARG 91 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1x6d h GLU 92 N 0.11 0.82 -7.57 5.56 5.08 -1.30 -2.89 114.58 114.39 1x6d h GLU 92 Ca 0.00 -0.09 -0.44 0.00 -1.00 0.00 0.00 59.36 57.83 1x6d h GLU 92 Cb 0.51 -0.16 0.16 0.00 0.50 0.00 0.00 28.75 29.76 1x6d h GLU 92 CO 0.00 0.62 0.29 -1.25 -1.00 0.00 0.00 179.01 177.67 1x6d s PRO 93 N -5.88 0.19 0.02 2.33 0.04 -1.26 -3.27 135.00 127.17 1x6d s PRO 93 Ca -0.13 -0.06 0.24 0.00 0.04 0.00 0.00 61.00 61.09 1x6d s PRO 93 Cb 0.13 -1.76 0.24 0.00 0.04 0.00 0.00 34.50 33.15 1x6d s PRO 93 CO 0.77 -2.77 1.21 0.54 0.04 0.00 0.00 177.00 176.79 1x6d n ARG 94 N -4.10 0.10 -4.42 4.56 3.00 -1.26 -4.15 116.66 110.40 1x6d n ARG 94 Ca 0.12 0.01 -0.20 0.00 -0.01 0.00 0.00 57.85 57.76 1x6d n ARG 94 Cb 0.59 -1.54 -0.14 0.00 0.00 0.00 0.00 32.46 31.37 1x6d n ARG 94 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1x6d s GLN 95 N -3.07 0.93 0.06 5.56 0.74 -1.26 0.19 119.66 122.81 1x6d s GLN 95 Ca 0.08 -0.61 0.09 0.00 0.05 0.00 0.00 55.36 54.97 1x6d s GLN 95 Cb 0.16 -0.91 -0.03 0.00 1.10 0.00 0.00 33.01 33.33 1x6d s GLN 95 CO 0.76 0.23 -0.25 0.00 -0.55 0.00 0.00 175.29 175.49 1x6d s ALA 96 N -0.61 2.11 -0.23 1.58 0.00 -1.16 -4.97 121.76 118.48 1x6d s ALA 96 Ca 0.02 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.77 1x6d s ALA 96 Cb -0.06 -0.42 0.05 0.00 0.00 0.00 0.00 23.12 22.69 1x6d s ALA 96 CO 0.00 0.49 -0.10 0.08 0.00 0.00 0.00 175.76 176.23 1x6d s VAL 97 N -0.85 1.86 -0.03 0.00 1.01 -1.26 -3.54 120.40 117.60 1x6d s VAL 97 Ca 0.11 -1.33 0.06 0.00 0.00 0.00 0.00 61.98 60.82 1x6d s VAL 97 Cb -0.10 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1x6d s VAL 97 CO 0.03 0.04 -0.20 -0.63 0.00 0.00 0.00 175.10 174.33 1x6d s ILE 98 N 1.26 1.63 -0.25 2.22 1.09 -1.21 0.20 121.20 126.14 1x6d s ILE 98 Ca -0.05 -0.87 -0.00 0.00 -1.10 0.00 0.00 60.65 58.63 1x6d s ILE 98 Cb -0.18 -1.37 0.04 0.00 -1.06 0.00 0.00 42.46 39.89 1x6d s ILE 98 CO -0.07 0.46 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.47 1x6d s VAL 99 N -0.33 2.63 0.13 2.92 1.01 -1.16 -2.12 120.40 123.48 1x6d s VAL 99 Ca 0.04 -1.24 0.05 0.00 0.00 0.00 0.00 61.98 60.83 1x6d s VAL 99 Cb -0.09 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1x6d s VAL 99 CO 0.00 0.12 -0.11 0.42 0.00 0.00 0.00 175.10 175.53 1x6d s THR 100 N 1.25 1.17 0.30 3.92 -4.23 -1.25 -1.10 115.64 115.70 1x6d s THR 100 Ca -0.03 -1.86 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 1x6d s THR 100 Cb -0.18 -1.63 -0.03 0.00 1.34 0.00 0.00 72.50 72.00 1x6d s THR 100 CO -0.05 -0.60 0.46 -0.13 -0.54 0.00 0.00 174.62 173.76 1x6d s ARG 101 N -3.19 3.40 -0.64 3.99 3.00 -1.25 -3.00 118.95 121.26 1x6d s ARG 101 Ca 0.12 -0.62 -0.27 0.00 0.00 0.00 0.00 55.73 54.96 1x6d s ARG 101 Cb -0.01 -2.78 0.02 0.00 0.00 0.00 0.00 34.95 32.18 1x6d s ARG 101 CO 0.01 0.25 1.40 0.15 0.00 0.00 0.00 175.30 177.11 1x6d s LYS 102 N -4.16 3.20 0.02 3.54 -0.14 -1.22 -4.66 119.74 116.32 1x6d s LYS 102 Ca 0.38 0.20 0.06 0.00 -1.36 0.00 0.00 55.97 55.25 1x6d s LYS 102 Cb -0.09 -4.17 -0.03 0.00 -1.68 0.00 0.00 37.83 31.86 1x6d s LYS 102 CO 0.32 -2.09 -0.15 -0.51 -0.76 0.00 0.00 175.35 172.16 1x6d s LEU 103 N 6.21 2.73 0.70 3.17 1.43 -1.26 -5.13 118.68 126.53 1x6d s LEU 103 Ca 0.47 -0.34 -0.09 0.00 -1.03 0.00 0.00 54.13 53.14 1x6d s LEU 103 Cb -0.10 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.57 1x6d s LEU 103 CO 0.21 0.27 1.05 0.28 0.23 0.00 0.00 176.35 178.39 1x6d s THR 104 N -0.91 2.96 0.34 5.49 -1.32 -1.26 -5.02 115.64 115.92 1x6d s THR 104 Ca 0.15 0.10 -0.27 0.00 -1.21 0.00 0.00 61.69 60.46 1x6d s THR 104 Cb -0.11 -3.27 -0.09 0.00 -1.51 0.00 0.00 72.50 67.52 1x6d s THR 104 CO 0.05 -0.32 1.07 -2.16 -2.21 0.00 0.00 174.62 171.05 1x6d s PRO 105 N -5.29 4.42 0.82 7.08 0.04 -1.26 -5.02 135.00 135.78 1x6d s PRO 105 Ca 0.58 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 63.16 1x6d s PRO 105 Cb -0.11 -2.88 0.08 0.00 0.04 0.00 0.00 34.50 31.64 1x6d s PRO 105 CO 0.48 0.05 1.10 -1.83 0.04 0.00 0.00 177.00 176.84 1x6d s GLU 106 N -1.94 1.90 -0.01 4.56 -1.05 -1.26 -5.02 118.70 115.89 1x6d s GLU 106 Ca 0.51 0.65 -0.04 0.00 -0.15 0.00 0.00 54.97 55.94 1x6d s GLU 106 Cb -0.27 -1.90 -0.02 0.00 -0.44 0.00 0.00 34.13 31.51 1x6d s GLU 106 CO 0.34 -1.75 -0.08 0.00 0.95 0.00 0.00 175.26 174.72 1x6d n ALA 107 N -3.52 2.56 -2.75 -0.84 0.00 -1.26 -5.11 120.51 109.59 1x6d n ALA 107 Ca 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 1x6d n ALA 107 Cb 0.56 0.29 -0.01 0.00 0.00 0.00 0.00 19.45 20.29 1x6d n ALA 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1x6d n MET 108 N -3.53 -3.44 -2.53 0.00 0.00 -1.26 -4.95 117.12 101.42 1x6d n MET 108 Ca -0.07 2.74 -0.35 0.00 0.00 0.00 0.00 57.70 60.02 1x6d n MET 108 Cb 0.32 -4.68 -0.04 0.00 0.00 0.00 0.00 33.22 28.82 1x6d n MET 108 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1x6d s PRO 109 N -1.22 3.97 -0.27 2.12 0.04 -1.26 -5.06 135.00 133.32 1x6d s PRO 109 Ca -0.09 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 1x6d s PRO 109 Cb 0.01 -2.31 0.11 0.00 0.04 0.00 0.00 34.50 32.34 1x6d s PRO 109 CO 0.68 -0.30 0.62 -0.51 0.04 0.00 0.00 177.00 177.53 1x6d s ASP 110 N -1.77 -0.94 0.10 6.66 1.11 -1.26 -5.06 116.67 115.50 1x6d s ASP 110 Ca 0.63 1.45 -0.21 0.00 0.18 0.00 0.00 52.55 54.60 1x6d s ASP 110 Cb -0.19 1.84 -0.06 0.00 1.07 0.00 0.00 42.92 45.58 1x6d s ASP 110 CO 0.24 -0.23 1.36 -0.07 1.18 0.00 0.00 175.17 177.65 1x6d h LEU 111 N 7.69 -1.33-10.10 1.23 4.07 -2.06 -3.39 115.31 111.42 1x6d h LEU 111 Ca -0.22 0.19 -0.50 0.00 0.08 0.00 0.00 57.88 57.43 1x6d h LEU 111 Cb 1.14 0.57 -0.01 0.00 1.08 0.00 0.00 40.66 43.44 1x6d h LEU 111 CO 0.13 -0.20 0.05 0.21 -1.08 0.00 0.00 178.44 177.55 1x6d s ASN 112 N -4.45 6.58 -0.10 -0.43 2.47 -1.26 -5.08 114.94 112.67 1x6d s ASN 112 Ca -0.09 1.09 -0.00 0.00 0.42 0.00 0.00 52.86 54.28 1x6d s ASN 112 Cb 0.06 -2.30 0.02 0.00 -1.45 0.00 0.00 41.25 37.59 1x6d s ASN 112 CO 0.40 -0.30 -0.06 -0.55 -3.72 0.00 0.00 177.10 172.88 1x6d s SER 113 N -2.87 1.95 0.26 -4.21 0.15 -1.26 -5.12 113.70 102.59 1x6d s SER 113 Ca 0.51 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.62 1x6d s SER 113 Cb -0.10 -0.72 -0.10 0.00 -1.71 0.00 0.00 66.02 63.39 1x6d s SER 113 CO 0.27 -0.13 1.37 -0.94 1.20 0.00 0.00 173.24 175.01 1x6d s SER 114 N 1.68 6.76 0.00 5.45 1.04 -1.26 -5.02 113.70 122.35 1x6d s SER 114 Ca 0.03 2.60 0.00 0.00 0.48 0.00 0.00 55.95 59.06 1x6d s SER 114 Cb -0.13 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1x6d s SER 114 CO -0.06 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1x6d n GLY 115 N 1.87 4.83 3.80 7.32 0.00 -1.26 -5.14 105.19 116.61 1x6d n GLY 115 Ca 0.05 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1x6d n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6d s PRO 116 N -1.35 3.57 -0.03 1.61 0.04 -1.26 -5.07 135.00 132.52 1x6d s PRO 116 Ca 0.00 1.25 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 1x6d s PRO 116 Cb 0.00 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1x6d s PRO 116 CO 0.00 -0.61 0.33 0.45 0.04 0.00 0.00 177.00 177.22 1x6d s SER 117 N -2.46 -0.23 1.06 6.66 0.15 -1.26 -5.15 113.70 112.46 1x6d s SER 117 Ca 0.65 0.18 -0.19 0.00 0.70 0.00 0.00 55.95 57.29 1x6d s SER 117 Cb -0.16 0.36 0.02 0.00 -1.71 0.00 0.00 66.02 64.54 1x6d s SER 117 CO 0.29 -0.43 -0.27 -1.20 1.20 0.00 0.00 173.24 172.84 1x6d n SER 118 N 1.41 -2.71 0.00 5.45 7.64 -1.26 -5.36 113.62 118.79 1x6d n SER 118 Ca -0.21 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1x6d n SER 118 Cb 0.56 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1x6d n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64