#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 -0.50 0.00 1.61 0.01 -1.26 -5.18 113.70 108.38 1x6d s SER 2 Ca 0.00 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1x6d s SER 2 Cb 0.00 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.80 1x6d s SER 2 CO 0.00 -0.94 0.00 -0.24 0.41 0.00 0.00 173.24 172.47 1x6d n SER 3 N -0.37 0.00 0.00 2.44 2.88 -1.26 -5.19 113.62 112.13 1x6d n SER 3 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1x6d n SER 3 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1x6d n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6d n GLY 4 N -0.10 4.66 3.36 0.46 0.00 -1.26 -5.16 105.19 107.14 1x6d n GLY 4 Ca 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.15 0.00 1.61 0.15 -1.26 -5.18 113.70 108.87 1x6d s SER 5 Ca 0.00 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1x6d s SER 5 Cb 0.00 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.46 1x6d s SER 5 CO 0.00 -0.03 0.00 -0.24 1.20 0.00 0.00 173.24 174.17 1x6d n SER 6 N 4.18 0.00 0.00 5.45 2.88 -1.26 -5.18 113.62 119.69 1x6d n SER 6 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1x6d n SER 6 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1x6d n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6d n GLY 7 N -0.21 -0.38 1.41 0.46 0.00 -1.26 -5.16 105.19 100.06 1x6d n GLY 7 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1x6d n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d n ALA 8 N -0.10 -2.05 -2.71 4.61 0.00 -1.26 -5.04 120.51 113.95 1x6d n ALA 8 Ca 0.00 0.38 -0.05 0.00 0.00 0.00 0.00 53.44 53.78 1x6d n ALA 8 Cb 0.00 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 18.22 1x6d n ALA 8 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1x6d n THR 9 N -0.32 0.00 -4.01 0.00 5.66 -1.26 -5.14 114.28 109.21 1x6d n THR 9 Ca 0.00 -0.77 -0.18 0.00 -3.05 0.00 0.00 64.05 60.05 1x6d n THR 9 Cb 0.00 0.97 -0.16 0.00 -1.55 0.00 0.00 70.33 69.59 1x6d n THR 9 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1x6d s LEU 10 N 0.47 1.22 -0.22 1.09 1.43 -1.26 -5.13 118.68 116.28 1x6d s LEU 10 Ca 0.28 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 1x6d s LEU 10 Cb 0.12 -0.30 0.15 0.00 0.03 0.00 0.00 46.19 46.18 1x6d s LEU 10 CO -0.11 -0.08 1.13 -1.59 0.23 0.00 0.00 176.35 175.93 1x6d s LYS 11 N 0.99 0.40 -0.69 1.70 -2.85 -1.26 -5.10 119.74 112.94 1x6d s LYS 11 Ca -0.10 0.17 0.05 0.00 -1.00 0.00 0.00 55.97 55.09 1x6d s LYS 11 Cb -0.14 0.19 0.19 0.00 -2.06 0.00 0.00 37.83 36.02 1x6d s LYS 11 CO -0.01 -0.11 0.58 1.04 0.10 0.00 0.00 175.35 176.94 1x6d n GLN 12 N 0.96 2.05 -3.93 1.78 6.02 -1.26 -5.03 117.38 117.97 1x6d n GLN 12 Ca -0.08 -4.55 -0.18 0.00 -0.01 0.00 0.00 57.00 52.18 1x6d n GLN 12 Cb 0.58 -2.28 -0.16 0.00 1.02 0.00 0.00 30.24 29.40 1x6d n GLN 12 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1x6d s LEU 13 N -1.79 1.08 0.01 1.08 1.98 -1.26 -5.08 118.68 114.70 1x6d s LEU 13 Ca 0.30 -0.04 0.00 0.00 -2.89 0.00 0.00 54.13 51.50 1x6d s LEU 13 Cb 0.02 -0.26 0.00 0.00 0.66 0.00 0.00 46.19 46.61 1x6d s LEU 13 CO -0.12 -0.11 0.00 -0.90 -1.89 0.00 0.00 176.35 173.33 1x6d n ASP 14 N 4.28 -0.20 -1.00 3.68 5.75 -1.26 -4.86 116.55 122.94 1x6d n ASP 14 Ca -0.23 0.04 0.01 0.00 -0.01 0.00 0.00 54.79 54.60 1x6d n ASP 14 Cb 0.50 0.50 0.15 0.00 -1.03 0.00 0.00 41.12 41.25 1x6d n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x6d n GLY 15 N -1.72 4.55 3.41 6.12 0.00 -1.26 -5.00 105.19 111.29 1x6d n GLY 15 Ca -0.00 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.92 4.07 -0.18 -0.61 -1.09 -1.26 -3.86 121.20 115.35 1x6d s ILE 16 Ca 0.39 -0.25 0.01 0.00 -2.23 0.00 0.00 60.65 58.56 1x6d s ILE 16 Cb 0.38 -2.89 0.02 0.00 -1.58 0.00 0.00 42.46 38.38 1x6d s ILE 16 CO -0.07 0.36 -0.19 -2.28 -1.23 0.00 0.00 174.94 171.53 1x6d s HIS 17 N 1.58 2.68 0.49 3.97 2.46 -1.24 -5.07 115.29 120.15 1x6d s HIS 17 Ca 0.06 -1.59 -0.21 0.00 0.47 0.00 0.00 55.06 53.79 1x6d s HIS 17 Cb -0.15 -1.86 -0.07 0.00 -0.13 0.00 0.00 32.58 30.37 1x6d s HIS 17 CO 0.02 -0.79 1.13 0.08 -2.47 0.00 0.00 174.74 172.71 1x6d s VAL 18 N 1.32 3.25 -0.30 0.89 1.01 -1.26 -4.28 120.40 121.03 1x6d s VAL 18 Ca 0.05 0.86 0.02 0.00 0.00 0.00 0.00 61.98 62.90 1x6d s VAL 18 Cb -0.13 -3.39 0.09 0.00 0.00 0.00 0.00 36.38 32.94 1x6d s VAL 18 CO -0.12 -0.09 0.03 -0.89 0.00 0.00 0.00 175.10 174.03 1x6d s THR 19 N -1.69 1.63 -0.36 3.92 2.01 -1.12 -5.05 115.64 114.99 1x6d s THR 19 Ca 0.67 -1.72 -0.17 0.00 0.31 0.00 0.00 61.69 60.78 1x6d s THR 19 Cb -0.25 -2.11 -0.00 0.00 0.01 0.00 0.00 72.50 70.14 1x6d s THR 19 CO 0.30 -0.47 0.43 -0.63 -0.69 0.00 0.00 174.62 173.56 1x6d s ILE 20 N 1.26 5.10 -0.22 1.82 -1.09 -1.26 -3.45 121.20 123.36 1x6d s ILE 20 Ca 0.05 0.09 -0.07 0.00 -2.23 0.00 0.00 60.65 58.49 1x6d s ILE 20 Cb -0.18 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1x6d s ILE 20 CO -0.13 -0.20 0.05 -0.76 -1.23 0.00 0.00 174.94 172.68 1x6d s LEU 21 N 2.18 3.46 -0.54 2.97 2.01 -1.16 -5.00 118.68 122.60 1x6d s LEU 21 Ca 0.14 -0.15 -0.18 0.00 0.01 0.00 0.00 54.13 53.96 1x6d s LEU 21 Cb -0.16 -1.90 0.09 0.00 0.01 0.00 0.00 46.19 44.23 1x6d s LEU 21 CO 0.13 0.04 0.59 -1.00 1.01 0.00 0.00 176.35 177.12 1x6d s HIS 22 N 1.18 3.10 0.21 0.29 3.76 -1.26 -2.72 115.29 119.85 1x6d s HIS 22 Ca 0.04 -0.92 0.01 0.00 -0.15 0.00 0.00 55.06 54.04 1x6d s HIS 22 Cb -0.14 -3.72 -0.00 0.00 1.11 0.00 0.00 32.58 29.82 1x6d s HIS 22 CO 0.03 -1.10 0.04 0.36 -0.85 0.00 0.00 174.74 173.22 1x6d n LYS 23 N 5.89 1.03 -4.17 1.40 2.85 0.27 -5.02 118.16 120.41 1x6d n LYS 23 Ca -0.10 -1.68 -0.28 0.00 -1.05 0.00 0.00 58.31 55.20 1x6d n LYS 23 Cb 0.43 0.72 -0.08 0.00 -0.65 0.00 0.00 35.03 35.45 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 -2.79 2.47 -0.57 -1.58 2.02 -1.26 -4.35 118.70 112.64 1x6d s GLU 24 Ca 0.06 -1.00 -0.29 0.00 0.02 0.00 0.00 54.97 53.76 1x6d s GLU 24 Cb 0.00 -2.43 -0.11 0.00 0.10 0.00 0.00 34.13 31.69 1x6d s GLU 24 CO 0.04 0.49 2.44 -0.85 0.02 0.00 0.00 175.26 177.40 1x6d n GLU 25 N 0.13 0.86 -0.54 1.61 0.28 -1.25 0.95 120.64 122.69 1x6d n GLU 25 Ca -0.10 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1x6d n GLU 25 Cb 0.54 -2.80 0.00 0.00 1.43 0.00 0.00 31.44 30.60 1x6d n GLU 25 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x6d n GLY 26 N 6.20 1.22 0.10 -1.84 0.00 -0.80 -4.98 105.19 105.09 1x6d n GLY 26 Ca 0.44 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1x6d n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d n ALA 27 N -1.00 1.36 0.00 4.61 0.00 0.27 -5.10 120.51 120.65 1x6d n ALA 27 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1x6d n ALA 27 Cb 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1x6d n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x6d n GLY 28 N 1.79 1.73 0.12 0.00 0.00 -1.26 -4.91 105.19 102.66 1x6d n GLY 28 Ca -0.28 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 43.54 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 -4.83 117.00 118.80 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 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1x6d n GLY 30 N 1.54 1.21 3.28 -0.72 0.00 -1.26 -0.90 105.19 108.34 1x6d n GLY 30 Ca -0.41 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 1.44 0.32 1.61 -0.71 -1.26 0.80 117.98 118.18 1x6d s PHE 31 Ca 0.00 -1.24 0.04 0.00 -1.04 0.00 0.00 56.93 54.69 1x6d s PHE 31 Cb 0.00 -0.80 -0.06 0.00 -1.21 0.00 0.00 43.02 40.94 1x6d s PHE 31 CO 0.00 -0.42 0.04 0.45 -1.34 0.00 0.00 175.22 173.94 1x6d s SER 32 N -3.27 2.51 0.30 1.98 0.15 -0.65 -4.97 113.70 109.75 1x6d s SER 32 Ca 0.38 -1.35 -0.00 0.00 0.70 0.00 0.00 55.95 55.68 1x6d s SER 32 Cb 0.08 -0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 1x6d s SER 32 CO 0.13 -0.56 0.51 -0.76 1.20 0.00 0.00 173.24 173.76 1x6d s LEU 33 N -3.49 4.08 0.03 3.45 1.43 -1.26 -1.83 118.68 121.09 1x6d s LEU 33 Ca 0.35 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1x6d s LEU 33 Cb 0.08 -3.29 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 1x6d s LEU 33 CO 0.15 -0.22 -0.04 0.00 0.23 0.00 0.00 176.35 176.47 1x6d s ALA 34 N -2.18 0.24 0.16 4.21 0.00 0.51 -4.15 121.76 120.55 1x6d s ALA 34 Ca 0.40 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1x6d s ALA 34 Cb -0.10 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1x6d s ALA 34 CO 0.33 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.34 1x6d n GLY 35 N 1.41 -1.79 0.00 0.00 0.00 -1.26 -0.15 105.19 103.40 1x6d n GLY 35 Ca -0.23 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.65 2.48 0.12 -0.02 0.00 -0.75 -4.55 105.19 99.83 1x6d n GLY 36 Ca -0.00 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 1x6d n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d h ALA 37 N 2.00 0.24 0.00 4.61 0.00 -1.58 -2.91 119.26 121.62 1x6d h ALA 37 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1x6d h ALA 37 Cb 0.00 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x6d h ALA 37 CO 0.00 0.81 0.00 0.22 0.00 0.00 0.00 179.25 180.28 1x6d h ASP 38 N -0.54 0.00 -4.09 0.00 1.82 -1.86 -3.44 116.42 108.31 1x6d h ASP 38 Ca -0.32 0.00 -0.44 0.00 -0.39 0.00 0.00 57.03 55.88 1x6d h ASP 38 Cb 1.59 0.00 0.17 0.00 0.68 0.00 0.00 39.33 41.77 1x6d h ASP 38 CO -0.04 0.00 0.39 0.18 -1.61 0.00 0.00 179.24 178.16 1x6d n LEU 39 N -2.82 0.00 -0.02 2.28 4.32 -1.25 -4.99 117.00 114.53 1x6d n LEU 39 Ca 0.02 -1.57 -0.13 0.00 -0.02 0.00 0.00 56.01 54.31 1x6d n LEU 39 Cb 0.34 -0.99 -0.01 0.00 -1.62 0.00 0.00 43.42 41.14 1x6d n LEU 39 CO 0.27 -1.41 0.39 1.05 -1.22 0.00 0.00 177.39 176.47 1x6d h GLU 40 N 0.00 0.69 -5.39 3.23 4.11 -1.86 -3.37 114.58 111.99 1x6d h GLU 40 Ca -0.43 -0.48 -0.68 0.00 0.07 0.00 0.00 59.36 57.84 1x6d h GLU 40 Cb 1.21 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 30.40 1x6d h GLU 40 CO 0.32 1.10 1.38 -0.80 0.07 0.00 0.00 179.01 181.08 1x6d s ASN 41 N -6.99 6.74 0.33 3.06 0.01 -1.26 -4.81 114.94 112.02 1x6d s ASN 41 Ca -0.09 -2.19 0.07 0.00 -0.71 0.00 0.00 52.86 49.95 1x6d s ASN 41 Cb 0.10 -2.48 0.77 0.00 0.41 0.00 0.00 41.25 40.05 1x6d s ASN 41 CO 0.87 -1.12 1.83 0.50 -1.51 0.00 0.00 177.10 177.67 1x6d h LYS 42 N 8.45 0.73 -5.45 -0.60 1.63 -1.68 -1.99 116.57 117.66 1x6d h LYS 42 Ca 0.26 -0.04 -0.62 0.00 -0.85 0.00 0.00 60.65 59.40 1x6d h LYS 42 Cb 0.96 -0.16 -0.13 0.00 -0.60 0.00 0.00 32.23 32.30 1x6d h LYS 42 CO 1.29 0.48 0.10 0.54 -3.45 0.00 0.00 179.45 178.41 1x6d s VAL 43 N -5.76 4.97 0.29 2.00 0.11 -1.26 -4.29 120.40 116.46 1x6d s VAL 43 Ca -0.10 0.84 -0.29 0.00 -2.93 0.00 0.00 61.98 59.49 1x6d s VAL 43 Cb 0.23 -3.96 -0.10 0.00 -1.53 0.00 0.00 36.38 31.02 1x6d s VAL 43 CO 0.80 -0.09 1.44 -0.63 -3.33 0.00 0.00 175.10 173.28 1x6d s ILE 44 N 2.53 2.52 0.39 7.04 1.09 -1.26 -4.77 121.20 128.74 1x6d s ILE 44 Ca 0.24 0.47 0.04 0.00 -1.10 0.00 0.00 60.65 60.30 1x6d s ILE 44 Cb -0.15 -3.30 -0.06 0.00 -1.06 0.00 0.00 42.46 37.89 1x6d s ILE 44 CO 0.11 0.09 0.04 0.42 -0.10 0.00 0.00 174.94 175.50 1x6d s THR 45 N -0.37 1.37 -0.63 2.92 -4.23 0.78 0.07 115.64 115.56 1x6d s THR 45 Ca 0.57 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.81 1x6d s THR 45 Cb -0.43 -2.72 0.01 0.00 1.34 0.00 0.00 72.50 70.70 1x6d s THR 45 CO 0.48 0.00 1.53 -0.69 -0.54 0.00 0.00 174.62 175.40 1x6d s VAL 46 N -3.04 3.61 0.07 2.29 1.01 -0.54 0.19 120.40 124.00 1x6d s VAL 46 Ca 0.30 0.43 -0.31 0.00 0.00 0.00 0.00 61.98 62.40 1x6d s VAL 46 Cb 0.07 -4.40 -0.15 0.00 0.00 0.00 0.00 36.38 31.90 1x6d s VAL 46 CO 0.15 -1.28 1.48 -0.74 0.00 0.00 0.00 175.10 174.71 1x6d h HIS 47 N 12.08 -1.21 -3.28 5.22 2.76 -1.52 0.99 115.15 130.18 1x6d h HIS 47 Ca -0.27 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 57.80 1x6d h HIS 47 Cb 1.10 0.47 -0.18 0.00 1.55 0.00 0.00 27.41 30.35 1x6d h HIS 47 CO 1.07 -0.59 -0.28 1.03 -1.30 0.00 0.00 177.93 177.85 1x6d s ARG 48 N -5.45 0.75 -0.39 5.26 3.00 -1.26 -4.48 118.95 116.39 1x6d s ARG 48 Ca -0.15 -0.45 0.04 0.00 0.00 0.00 0.00 55.73 55.16 1x6d s ARG 48 Cb 0.03 0.33 0.11 0.00 0.00 0.00 0.00 34.95 35.42 1x6d s ARG 48 CO 0.52 -0.23 0.11 0.08 0.00 0.00 0.00 175.30 175.78 1x6d s VAL 49 N -2.25 2.36 0.72 3.52 1.01 -1.26 -1.64 120.40 122.85 1x6d s VAL 49 Ca -0.07 -2.64 -0.17 0.00 0.00 0.00 0.00 61.98 59.10 1x6d s VAL 49 Cb -0.02 -2.71 -0.15 0.00 0.00 0.00 0.00 36.38 33.50 1x6d s VAL 49 CO -0.02 -0.66 -0.43 0.49 0.00 0.00 0.00 175.10 174.48 1x6d n PHE 50 N 3.91 -3.92 0.10 5.22 3.72 0.24 -4.86 117.46 121.87 1x6d n PHE 50 Ca 0.04 0.22 -0.05 0.00 -0.05 0.00 0.00 57.45 57.62 1x6d n PHE 50 Cb 0.39 -1.54 0.06 0.00 -0.94 0.00 0.00 39.48 37.45 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 -0.46 0.06 -3.39 -1.08 0.13 -1.99 -3.38 132.00 121.89 1x6d h PRO 51 Ca -0.42 -0.06 -0.67 0.00 -0.87 0.00 0.00 66.00 63.98 1x6d h PRO 51 Cb 1.36 0.02 -0.38 0.00 0.13 0.00 0.00 31.00 32.12 1x6d h PRO 51 CO 0.33 0.80 -0.42 0.54 -0.23 0.00 0.00 178.00 179.01 1x6d s ASN 52 N -6.84 5.04 0.07 1.44 2.20 -1.26 -4.91 114.94 110.68 1x6d s ASN 52 Ca -0.01 -3.22 -0.03 0.00 -0.94 0.00 0.00 52.86 48.66 1x6d s ASN 52 Cb 0.11 -1.77 0.01 0.00 -2.00 0.00 0.00 41.25 37.61 1x6d s ASN 52 CO 0.79 -0.25 0.14 0.61 -2.94 0.00 0.00 177.10 175.46 1x6d n GLY 53 N 2.92 1.94 0.11 0.45 0.00 -1.26 -4.87 105.19 104.47 1x6d n GLY 53 Ca 0.11 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 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 1.88 -0.32 0.99 4.77 -0.08 -3.14 117.00 121.10 1x6d n LEU 54 Ca -0.01 0.41 0.29 0.00 -0.03 0.00 0.00 56.01 56.67 1x6d n LEU 54 Cb 0.11 -0.93 0.63 0.00 -2.33 0.00 0.00 43.42 40.90 1x6d n LEU 54 CO 0.05 0.31 1.27 0.00 -1.33 0.00 0.00 177.39 177.69 1x6d h ALA 55 N -0.62 2.67 -0.00 -1.18 0.00 -1.79 0.39 119.26 118.73 1x6d h ALA 55 Ca -0.41 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1x6d h ALA 55 Cb 1.35 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.21 1x6d h ALA 55 CO -0.25 -1.05 -0.33 1.03 0.00 0.00 0.00 179.25 178.65 1x6d h SER 56 N 0.19 0.29 -0.85 0.00 0.87 -1.81 -2.75 113.55 109.49 1x6d h SER 56 Ca 0.58 -0.77 0.14 0.00 -1.23 0.00 0.00 61.79 60.51 1x6d h SER 56 Cb 1.88 -0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 63.66 1x6d h SER 56 CO -0.16 1.02 0.45 1.56 -0.53 0.00 0.00 176.83 179.18 1x6d h GLN 57 N -0.40 0.65 0.54 2.24 4.20 -0.29 -2.14 115.11 119.91 1x6d h GLN 57 Ca -0.04 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1x6d h GLN 57 Cb 1.07 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.71 1x6d h GLN 57 CO 0.06 0.43 -0.26 1.49 -0.67 0.00 0.00 178.83 179.88 1x6d h GLU 58 N 0.67 -0.70 0.00 1.46 4.57 -0.94 -3.47 114.58 116.17 1x6d h GLU 58 Ca 0.45 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 1x6d h GLU 58 Cb 0.59 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1x6d h GLU 58 CO -0.34 -0.42 0.00 0.41 -1.18 0.00 0.00 179.01 177.49 1x6d n GLY 59 N -1.03 0.63 0.12 1.92 0.00 -0.81 -4.92 105.19 101.11 1x6d n GLY 59 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 1.48 -2.40 2.61 2.02 -1.87 -3.40 112.91 111.35 1x6d h THR 60 Ca 0.00 -2.36 -0.63 0.00 0.77 0.00 0.00 66.41 64.19 1x6d h THR 60 Cb 0.00 2.97 -0.14 0.00 -1.74 0.00 0.00 68.15 69.24 1x6d h THR 60 CO 0.00 0.67 0.77 -0.63 0.37 0.00 0.00 175.52 176.71 1x6d s ILE 61 N -2.73 4.31 -0.13 3.11 1.01 -1.26 -5.00 121.20 120.52 1x6d s ILE 61 Ca -0.13 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 1x6d s ILE 61 Cb 0.02 -4.77 -0.03 0.00 0.01 0.00 0.00 42.46 37.69 1x6d s ILE 61 CO 0.83 -1.57 -0.06 -1.10 0.00 0.00 0.00 174.94 173.04 1x6d s GLN 62 N 4.01 3.40 0.00 2.79 -0.21 -1.26 -4.64 119.66 123.75 1x6d s GLN 62 Ca 0.29 -0.55 -0.34 0.00 0.02 0.00 0.00 55.36 54.77 1x6d s GLN 62 Cb -0.11 -2.79 -0.17 0.00 1.00 0.00 0.00 33.01 30.94 1x6d s GLN 62 CO 0.04 0.34 0.91 0.36 -2.12 0.00 0.00 175.29 174.82 1x6d n LYS 63 N 3.21 0.00 0.00 2.91 2.85 -1.26 0.49 118.16 126.36 1x6d n LYS 63 Ca -0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1x6d n LYS 63 Cb 0.53 -1.29 0.00 0.00 -0.65 0.00 0.00 35.03 33.62 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 1.30 2.95 3.20 2.58 0.00 0.34 -4.93 105.19 110.63 1x6d n GLY 64 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.74 -4.53 1.61 5.03 0.18 -4.45 115.26 109.36 1x6d n ASN 65 Ca 0.00 0.19 -0.41 0.00 0.87 0.00 0.00 54.58 55.24 1x6d n ASN 65 Cb 0.00 -0.94 -0.10 0.00 -1.02 0.00 0.00 39.78 37.72 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 -2.84 3.49 -0.58 3.52 2.12 -1.26 -1.46 118.70 121.69 1x6d s GLU 66 Ca 0.48 -0.58 -0.23 0.00 0.36 0.00 0.00 54.97 55.00 1x6d s GLU 66 Cb -0.16 -3.82 0.05 0.00 0.26 0.00 0.00 34.13 30.46 1x6d s GLU 66 CO 0.73 -0.49 0.93 0.08 -0.54 0.00 0.00 175.26 175.97 1x6d s VAL 67 N 1.83 4.39 -0.03 3.70 1.01 0.11 -3.61 120.40 127.80 1x6d s VAL 67 Ca 0.08 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 1x6d s VAL 67 Cb -0.17 -4.57 -0.22 0.00 0.00 0.00 0.00 36.38 31.43 1x6d s VAL 67 CO 0.11 -1.19 1.10 -0.07 0.00 0.00 0.00 175.10 175.05 1x6d h LEU 68 N 11.02 0.26 -7.41 3.92 3.38 -1.25 -3.38 115.31 121.85 1x6d h LEU 68 Ca -0.27 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 56.96 1x6d h LEU 68 Cb 1.07 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.63 1x6d h LEU 68 CO 1.11 0.92 0.03 -0.94 0.09 0.00 0.00 178.44 179.65 1x6d s SER 69 N -6.27 -0.32 -0.06 -0.43 1.04 -1.25 -3.07 113.70 103.34 1x6d s SER 69 Ca -0.15 -0.31 -0.01 0.00 0.48 0.00 0.00 55.95 55.96 1x6d s SER 69 Cb 0.02 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.71 1x6d s SER 69 CO 0.74 -0.95 -0.00 -0.63 0.98 0.00 0.00 173.24 173.38 1x6d s ILE 70 N -3.82 0.37 0.00 -1.02 1.01 -0.55 -2.91 121.20 114.28 1x6d s ILE 70 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1x6d s ILE 70 Cb 0.00 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.97 1x6d s ILE 70 CO -0.09 0.25 0.00 -3.20 0.00 0.00 0.00 174.94 171.90 1x6d n ASN 71 N 4.94 -2.83 0.00 3.58 2.85 0.26 -1.37 115.26 122.70 1x6d n ASN 71 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1x6d n ASN 71 Cb 0.50 -1.58 0.00 0.00 1.24 0.00 0.00 39.78 39.94 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 -1.49 0.58 3.57 8.20 0.00 -1.25 -4.85 105.19 109.94 1x6d n GLY 72 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1x6d n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6d s LYS 73 N -0.82 3.62 0.36 1.61 1.02 -0.47 -5.04 119.74 120.02 1x6d s LYS 73 Ca 0.00 0.07 -0.23 0.00 0.02 0.00 0.00 55.97 55.84 1x6d s LYS 73 Cb 0.00 -3.84 -0.10 0.00 -0.52 0.00 0.00 37.83 33.37 1x6d s LYS 73 CO 0.00 -0.86 0.91 -1.12 -0.92 0.00 0.00 175.35 173.36 1x6d s SER 74 N 1.88 7.11 -0.76 2.83 0.01 -1.26 -1.49 113.70 122.02 1x6d s SER 74 Ca 0.27 1.69 -0.24 0.00 1.31 0.00 0.00 55.95 58.99 1x6d s SER 74 Cb -0.14 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.62 1x6d s SER 74 CO 0.17 -0.18 1.16 -0.76 0.41 0.00 0.00 173.24 174.04 1x6d s LEU 75 N -2.56 3.89 -0.04 2.44 1.43 -1.17 -4.81 118.68 117.86 1x6d s LEU 75 Ca 0.54 -0.96 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1x6d s LEU 75 Cb -0.14 -2.49 0.30 0.00 0.03 0.00 0.00 46.19 43.89 1x6d s LEU 75 CO 0.19 -1.56 1.15 2.29 0.23 0.00 0.00 176.35 178.65 1x6d n LYS 76 N 8.36 2.05 0.00 1.70 -0.00 -1.26 -4.69 118.16 124.32 1x6d n LYS 76 Ca 0.06 -1.18 0.00 0.00 -0.00 0.00 0.00 58.31 57.19 1x6d n LYS 76 Cb 0.48 -1.46 0.00 0.00 -0.00 0.00 0.00 35.03 34.05 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 0.72 1.97 3.75 2.58 0.00 -1.26 -5.10 105.19 107.84 1x6d n GLY 77 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.12 2.80 -1.35 2.61 -1.04 -1.26 -4.47 114.28 111.44 1x6d n THR 78 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 1x6d n THR 78 Cb 0.00 -1.76 0.20 0.00 -1.82 0.00 0.00 70.33 66.95 1x6d n THR 78 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1x6d s THR 79 N -1.20 1.81 0.18 12.58 -4.23 -1.26 -1.95 115.64 121.57 1x6d s THR 79 Ca 0.62 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.00 1x6d s THR 79 Cb -0.46 -2.64 0.08 0.00 1.34 0.00 0.00 72.50 70.82 1x6d s THR 79 CO 0.57 0.00 1.81 -0.74 -0.54 0.00 0.00 174.62 175.72 1x6d h HIS 80 N -2.10 0.56 0.38 3.99 2.76 -1.91 0.76 115.15 119.59 1x6d h HIS 80 Ca -0.47 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 57.70 1x6d h HIS 80 Cb 1.29 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 30.08 1x6d h HIS 80 CO -1.14 0.30 -0.18 1.25 -1.30 0.00 0.00 177.93 176.86 1x6d h HIS 81 N 0.59 -0.47 -1.45 5.26 -0.00 -1.92 0.11 115.15 117.27 1x6d h HIS 81 Ca 0.22 -0.01 0.42 0.00 -0.00 0.00 0.00 60.37 61.00 1x6d h HIS 81 Cb 0.07 0.16 -0.06 0.00 -0.00 0.00 0.00 27.41 27.58 1x6d h HIS 81 CO -0.08 -0.29 1.17 -0.44 -0.00 0.00 0.00 177.93 178.29 1x6d h ASP 82 N -1.10 0.00 0.00 3.26 5.19 -1.90 0.94 116.42 122.80 1x6d h ASP 82 Ca -0.05 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1x6d h ASP 82 Cb 0.39 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 1x6d h ASP 82 CO 0.09 0.00 -0.17 0.00 -3.12 0.00 0.00 179.24 176.04 1x6d h ALA 83 N 1.02 0.00 -0.92 3.45 0.00 -0.76 -2.49 119.26 119.56 1x6d h ALA 83 Ca 0.69 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.65 1x6d h ALA 83 Cb 3.03 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 20.85 1x6d h ALA 83 CO -0.01 0.16 0.42 -0.07 0.00 0.00 0.00 179.25 179.75 1x6d h LEU 84 N -1.00 0.36 0.74 0.00 3.38 0.22 0.38 115.31 119.39 1x6d h LEU 84 Ca -0.00 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1x6d h LEU 84 Cb 0.19 0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1x6d h LEU 84 CO -0.00 -0.01 -0.36 0.00 0.09 0.00 0.00 178.44 178.16 1x6d h ALA 85 N 1.73 -1.00 -1.11 1.53 0.00 0.59 0.64 119.26 121.63 1x6d h ALA 85 Ca 0.59 -0.23 0.31 0.00 0.00 0.00 0.00 54.91 55.58 1x6d h ALA 85 Cb 1.14 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 1x6d h ALA 85 CO -0.54 -0.96 0.71 0.82 0.00 0.00 0.00 179.25 179.28 1x6d h ILE 86 N -1.20 0.40 -0.23 0.00 2.04 -0.61 1.56 117.51 119.48 1x6d h ILE 86 Ca -0.10 -0.10 -0.16 0.00 1.00 0.00 0.00 64.86 65.50 1x6d h ILE 86 Cb 0.78 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1x6d h ILE 86 CO 0.17 0.06 -0.50 0.25 0.00 0.00 0.00 178.15 178.12 1x6d h LEU 87 N 0.31 0.69 0.00 1.44 7.12 0.02 -2.18 115.31 122.70 1x6d h LEU 87 Ca 0.66 -0.35 0.00 0.00 0.13 0.00 0.00 57.88 58.32 1x6d h LEU 87 Cb 1.80 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.74 1x6d h LEU 87 CO -0.35 1.07 0.00 0.54 -0.13 0.00 0.00 178.44 179.57 1x6d n ARG 88 N -3.99 0.01 -0.07 1.25 1.74 0.52 -1.32 116.66 114.81 1x6d n ARG 88 Ca -0.03 0.34 -0.03 0.00 -0.77 0.00 0.00 57.85 57.36 1x6d n ARG 88 Cb 0.58 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.36 1x6d n ARG 88 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1x6d n GLN 89 N -1.48 0.70 0.00 5.56 6.02 -0.65 -4.10 117.38 123.43 1x6d n GLN 89 Ca 0.02 -0.08 0.05 0.00 -0.01 0.00 0.00 57.00 56.99 1x6d n GLN 89 Cb 0.10 -1.52 0.24 0.00 1.02 0.00 0.00 30.24 30.08 1x6d n GLN 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x6d n ALA 90 N -2.57 1.54 1.07 -1.58 0.00 -0.44 -0.52 120.51 118.01 1x6d n ALA 90 Ca -0.23 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.29 1x6d n ALA 90 Cb 0.95 -1.17 0.10 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.42 1.18 -0.09 0.00 1.74 -1.21 -4.20 116.66 112.66 1x6d n ARG 91 Ca 0.03 -0.92 -0.13 0.00 -0.77 0.00 0.00 57.85 56.06 1x6d n ARG 91 Cb 0.11 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.02 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 2.25 0.63 0.00 5.56 5.08 -1.01 -2.14 114.58 124.95 1x6d h GLU 92 Ca 0.00 -0.33 -0.24 0.00 -1.00 0.00 0.00 59.36 57.79 1x6d h GLU 92 Cb 0.71 0.01 0.11 0.00 0.50 0.00 0.00 28.75 30.08 1x6d h GLU 92 CO 0.00 0.93 0.16 -0.35 -1.00 0.00 0.00 179.01 178.75 1x6d n PRO 93 N -4.33 -1.51 0.00 2.33 -0.04 -1.26 -3.88 135.00 126.32 1x6d n PRO 93 Ca -0.04 -1.12 0.11 0.00 -0.04 0.00 0.00 63.50 62.41 1x6d n PRO 93 Cb 0.44 -0.89 0.03 0.00 -0.04 0.00 0.00 33.50 33.04 1x6d n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x6d n ARG 94 N -3.06 1.54 -3.88 0.54 3.00 -1.26 -3.76 116.66 109.78 1x6d n ARG 94 Ca 0.09 -1.27 -0.11 0.00 -0.01 0.00 0.00 57.85 56.55 1x6d n ARG 94 Cb 0.34 -1.47 -0.12 0.00 0.00 0.00 0.00 32.46 31.22 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 -2.33 0.23 -0.05 5.56 0.74 -1.26 0.93 119.66 123.49 1x6d s GLN 95 Ca 0.21 -0.15 0.04 0.00 0.05 0.00 0.00 55.36 55.51 1x6d s GLN 95 Cb 0.19 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.39 1x6d s GLN 95 CO 0.49 -0.04 -0.17 0.00 -0.55 0.00 0.00 175.29 175.01 1x6d s ALA 96 N -0.59 1.57 -0.31 1.58 0.00 -1.10 -4.95 121.76 117.95 1x6d s ALA 96 Ca -0.07 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 1x6d s ALA 96 Cb -0.04 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.55 1x6d s ALA 96 CO 0.00 0.25 0.05 0.08 0.00 0.00 0.00 175.76 176.14 1x6d s VAL 97 N 0.19 3.53 -0.11 0.00 1.01 -1.26 -2.99 120.40 120.76 1x6d s VAL 97 Ca -0.08 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.86 1x6d s VAL 97 Cb -0.13 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1x6d s VAL 97 CO 0.03 -0.05 -0.16 -0.63 0.00 0.00 0.00 175.10 174.30 1x6d s ILE 98 N 1.38 1.58 -0.31 2.22 1.09 -1.22 0.90 121.20 126.85 1x6d s ILE 98 Ca -0.01 -0.69 -0.07 0.00 -1.10 0.00 0.00 60.65 58.78 1x6d s ILE 98 Cb -0.19 -1.44 0.02 0.00 -1.06 0.00 0.00 42.46 39.79 1x6d s ILE 98 CO 0.01 0.46 0.08 -0.69 -0.10 0.00 0.00 174.94 174.70 1x6d s VAL 99 N 0.98 3.90 0.15 2.92 1.01 -1.14 -2.81 120.40 125.40 1x6d s VAL 99 Ca -0.06 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1x6d s VAL 99 Cb -0.15 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1x6d s VAL 99 CO -0.02 0.01 -0.09 0.42 0.00 0.00 0.00 175.10 175.42 1x6d s THR 100 N 1.47 1.12 0.21 3.92 -4.23 -1.25 -0.88 115.64 116.00 1x6d s THR 100 Ca 0.01 -2.05 0.08 0.00 -1.18 0.00 0.00 61.69 58.55 1x6d s THR 100 Cb -0.18 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1x6d s THR 100 CO 0.02 -0.73 0.03 -0.13 -0.54 0.00 0.00 174.62 173.27 1x6d s ARG 101 N -3.76 2.45 -0.15 3.99 3.00 -1.24 -3.74 118.95 119.50 1x6d s ARG 101 Ca 0.17 -1.20 -0.29 0.00 0.00 0.00 0.00 55.73 54.41 1x6d s ARG 101 Cb 0.03 -2.33 -0.01 0.00 0.00 0.00 0.00 34.95 32.64 1x6d s ARG 101 CO 0.01 0.42 1.22 0.21 0.00 0.00 0.00 175.30 177.15 1x6d s LYS 102 N -3.31 4.26 0.42 3.54 2.36 -1.25 -4.27 119.74 121.50 1x6d s LYS 102 Ca 0.30 1.62 0.03 0.00 -2.55 0.00 0.00 55.97 55.37 1x6d s LYS 102 Cb -0.08 -3.71 -0.02 0.00 -1.05 0.00 0.00 37.83 32.97 1x6d s LYS 102 CO 0.20 -0.64 0.11 -0.51 1.55 0.00 0.00 175.35 176.06 1x6d s LEU 103 N 3.19 2.04 0.41 5.43 1.43 -1.26 -5.09 118.68 124.82 1x6d s LEU 103 Ca 0.53 -1.68 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 1x6d s LEU 103 Cb -0.21 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.82 1x6d s LEU 103 CO 0.15 -0.93 0.00 0.35 0.23 0.00 0.00 176.35 176.15 1x6d n THR 104 N -0.96 -0.37 0.00 5.49 -2.24 -1.26 -4.79 114.28 110.14 1x6d n THR 104 Ca -0.08 0.54 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1x6d n THR 104 Cb 0.65 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1x6d n THR 104 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1x6d n PRO 105 N -3.83 0.00 -2.48 -0.78 -0.04 -1.26 -4.89 135.00 121.71 1x6d n PRO 105 Ca -0.05 0.46 -0.04 0.00 -0.04 0.00 0.00 63.50 63.83 1x6d n PRO 105 Cb 0.56 -1.09 0.06 0.00 -0.04 0.00 0.00 33.50 32.99 1x6d n PRO 105 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x6d n GLU 106 N -1.88 0.72 -1.27 0.54 0.28 -1.26 -5.15 120.64 112.63 1x6d n GLU 106 Ca 0.00 -1.03 0.17 0.00 -0.16 0.00 0.00 57.16 56.13 1x6d n GLU 106 Cb 0.00 0.08 -0.05 0.00 1.43 0.00 0.00 31.44 32.90 1x6d n GLU 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x6d n ALA 107 N -0.69 -3.29 -2.69 -1.84 0.00 -1.26 -4.72 120.51 106.02 1x6d n ALA 107 Ca -0.13 0.55 -0.41 0.00 0.00 0.00 0.00 53.44 53.44 1x6d n ALA 107 Cb 0.73 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 1x6d n ALA 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1x6d s MET 108 N -2.78 4.38 0.02 0.00 1.75 -1.26 -5.02 119.30 116.39 1x6d s MET 108 Ca 0.00 1.05 -0.30 0.00 -1.25 0.00 0.00 55.69 55.18 1x6d s MET 108 Cb 0.00 -3.52 -0.05 0.00 2.84 0.00 0.00 34.83 34.10 1x6d s MET 108 CO 0.00 -0.17 1.18 -1.25 -0.65 0.00 0.00 175.02 174.13 1x6d s PRO 109 N 1.58 4.41 -0.22 4.11 0.04 -1.26 -5.01 135.00 138.65 1x6d s PRO 109 Ca 0.40 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 63.06 1x6d s PRO 109 Cb -0.18 -3.43 0.09 0.00 0.04 0.00 0.00 34.50 31.02 1x6d s PRO 109 CO 0.16 -0.31 0.50 0.34 0.04 0.00 0.00 177.00 177.74 1x6d s ASP 110 N 1.21 -0.58 0.00 6.66 2.15 -1.26 -5.09 116.67 119.76 1x6d s ASP 110 Ca 0.57 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.71 1x6d s ASP 110 Cb -0.27 1.43 0.00 0.00 -0.30 0.00 0.00 42.92 43.77 1x6d s ASP 110 CO 0.27 -0.22 0.00 0.18 -0.17 0.00 0.00 175.17 175.22 1x6d n LEU 111 N 5.03 1.38 -3.28 -1.34 4.32 -1.26 -5.02 117.00 116.83 1x6d n LEU 111 Ca -0.14 0.07 -0.12 0.00 -0.02 0.00 0.00 56.01 55.80 1x6d n LEU 111 Cb 0.52 -0.11 0.01 0.00 -1.62 0.00 0.00 43.42 42.22 1x6d n LEU 111 CO 0.01 -0.11 -0.43 -3.20 -1.22 0.00 0.00 177.39 172.43 1x6d n ASN 112 N -1.19 -6.25 -3.75 -1.43 2.85 -1.26 -4.99 115.26 99.23 1x6d n ASN 112 Ca 0.00 0.24 -0.05 0.00 -0.11 0.00 0.00 54.58 54.66 1x6d n ASN 112 Cb 0.00 -1.61 -0.01 0.00 1.24 0.00 0.00 39.78 39.39 1x6d n ASN 112 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1x6d s SER 113 N -1.14 -0.19 0.39 1.20 0.01 -1.26 -5.18 113.70 107.52 1x6d s SER 113 Ca 0.11 -0.51 0.08 0.00 1.31 0.00 0.00 55.95 56.94 1x6d s SER 113 Cb -0.01 0.58 -0.07 0.00 0.21 0.00 0.00 66.02 66.74 1x6d s SER 113 CO 0.26 -1.08 0.04 -0.94 0.41 0.00 0.00 173.24 171.93 1x6d s SER 114 N -2.96 4.07 -0.67 2.44 1.04 -1.26 -5.09 113.70 111.27 1x6d s SER 114 Ca 0.12 -1.19 0.05 0.00 0.48 0.00 0.00 55.95 55.42 1x6d s SER 114 Cb -0.03 -0.44 0.19 0.00 0.10 0.00 0.00 66.02 65.84 1x6d s SER 114 CO 0.04 -0.40 0.56 0.61 0.98 0.00 0.00 173.24 175.03 1x6d n GLY 115 N -1.02 4.12 3.82 7.32 0.00 -1.26 -5.09 105.19 113.08 1x6d n GLY 115 Ca -0.04 -2.55 -0.31 0.00 0.00 0.00 0.00 46.02 43.12 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 -1.66 2.86 0.20 1.61 0.04 -1.26 -5.08 135.00 131.70 1x6d s PRO 116 Ca 0.30 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 1x6d s PRO 116 Cb 0.02 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 1x6d s PRO 116 CO -0.13 -1.15 0.39 -1.12 0.04 0.00 0.00 177.00 175.04 1x6d s SER 117 N -3.81 -0.06 -0.03 6.66 0.01 -1.26 -5.17 113.70 110.04 1x6d s SER 117 Ca 0.58 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 57.03 1x6d s SER 117 Cb -0.14 0.51 0.02 0.00 0.21 0.00 0.00 66.02 66.62 1x6d s SER 117 CO 0.55 -1.00 -0.02 -0.44 0.41 0.00 0.00 173.24 172.74 1x6d s SER 118 N -2.97 0.59 0.00 2.44 0.01 -1.26 -5.35 113.70 107.16 1x6d s SER 118 Ca 0.18 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1x6d s SER 118 Cb 0.01 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1x6d s SER 118 CO 0.03 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.21