#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6d n SER 2 N 0.00 -0.80 -1.06 1.61 2.88 -1.26 -5.17 113.62 109.83 1x6d n SER 2 Ca 0.00 0.52 0.12 0.00 -1.33 0.00 0.00 58.87 58.18 1x6d n SER 2 Cb 0.00 0.93 -0.07 0.00 -0.75 0.00 0.00 64.21 64.33 1x6d n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x6d n SER 3 N -3.40 -5.76 0.00 -3.46 2.88 -1.26 -5.09 113.62 97.53 1x6d n SER 3 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1x6d n SER 3 Cb 0.00 -3.63 0.00 0.00 -0.75 0.00 0.00 64.21 59.83 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 -3.62 4.50 0.00 0.46 0.00 -1.26 -5.19 105.19 100.08 1x6d n GLY 4 Ca -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1x6d n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x6d n SER 5 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.19 113.62 112.19 1x6d n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1x6d n SER 5 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1x6d n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x6d n SER 6 N 0.00 0.00 0.00 4.04 3.41 -1.26 -5.19 113.62 114.62 1x6d n SER 6 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1x6d n SER 6 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1x6d n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6d n GLY 7 N -0.08 -0.70 1.40 5.00 0.00 -1.26 -5.07 105.19 104.48 1x6d n GLY 7 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 0.17 -2.64 4.61 0.00 -1.26 -5.08 120.51 116.31 1x6d n ALA 8 Ca 0.00 -0.88 -0.23 0.00 0.00 0.00 0.00 53.44 52.33 1x6d n ALA 8 Cb 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.50 2.07 -2.77 0.00 5.66 -1.26 -4.80 114.28 112.68 1x6d n THR 9 Ca -0.08 -4.67 -0.24 0.00 -3.05 0.00 0.00 64.05 56.02 1x6d n THR 9 Cb 0.25 -0.85 0.02 0.00 -1.55 0.00 0.00 70.33 68.20 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 -3.38 3.48 0.00 1.09 1.02 -1.26 -5.05 118.68 114.59 1x6d s LEU 10 Ca 0.44 0.37 0.00 0.00 0.02 0.00 0.00 54.13 54.95 1x6d s LEU 10 Cb 0.39 -3.23 0.00 0.00 0.02 0.00 0.00 46.19 43.37 1x6d s LEU 10 CO -0.13 -0.86 0.57 0.29 0.02 0.00 0.00 176.35 176.24 1x6d n LYS 11 N -2.26 0.00 -2.65 1.70 5.02 -1.26 -3.75 118.16 114.97 1x6d n LYS 11 Ca 0.03 0.15 -0.43 0.00 -2.02 0.00 0.00 58.31 56.04 1x6d n LYS 11 Cb 0.58 -1.07 0.01 0.00 -0.02 0.00 0.00 35.03 34.52 1x6d n LYS 11 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1x6d n GLN 12 N -0.80 4.04 -3.64 1.97 6.02 -1.26 -4.88 117.38 118.83 1x6d n GLN 12 Ca 0.00 -4.02 -0.07 0.00 -0.01 0.00 0.00 57.00 52.90 1x6d n GLN 12 Cb 0.00 -2.73 -0.07 0.00 1.02 0.00 0.00 30.24 28.46 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 -1.42 -0.48 0.25 1.08 2.96 -1.25 -5.15 118.68 114.67 1x6d s LEU 13 Ca 0.35 0.87 0.00 0.00 -0.22 0.00 0.00 54.13 55.13 1x6d s LEU 13 Cb 0.07 1.85 0.00 0.00 0.50 0.00 0.00 46.19 48.61 1x6d s LEU 13 CO 0.05 -0.15 0.00 -0.67 -1.32 0.00 0.00 176.35 174.27 1x6d n ASP 14 N 2.70 -4.86 -3.34 3.68 2.03 -1.26 -4.19 116.55 111.30 1x6d n ASP 14 Ca -0.14 0.50 -0.38 0.00 0.52 0.00 0.00 54.79 55.29 1x6d n ASP 14 Cb 0.56 -2.58 -0.00 0.00 -0.72 0.00 0.00 41.12 38.39 1x6d n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6d n GLY 15 N -3.31 5.42 3.22 0.27 0.00 -1.26 -4.92 105.19 104.61 1x6d n GLY 15 Ca -0.01 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 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 -2.66 2.05 -0.10 -0.61 -1.09 -1.26 -4.04 121.20 113.48 1x6d s ILE 16 Ca 0.50 -1.02 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 1x6d s ILE 16 Cb 0.24 -1.77 0.02 0.00 -1.58 0.00 0.00 42.46 39.37 1x6d s ILE 16 CO -0.15 0.56 -0.12 -2.28 -1.23 0.00 0.00 174.94 171.72 1x6d s HIS 17 N 0.32 1.70 0.57 3.97 2.46 -1.14 -4.91 115.29 118.25 1x6d s HIS 17 Ca -0.18 -0.80 -0.18 0.00 0.47 0.00 0.00 55.06 54.37 1x6d s HIS 17 Cb -0.18 -1.29 -0.05 0.00 -0.13 0.00 0.00 32.58 30.94 1x6d s HIS 17 CO 0.09 -0.47 1.10 0.08 -2.47 0.00 0.00 174.74 173.07 1x6d s VAL 18 N 1.23 3.35 -0.25 0.89 1.01 -1.26 -3.33 120.40 122.04 1x6d s VAL 18 Ca -0.03 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1x6d s VAL 18 Cb -0.14 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.02 1x6d s VAL 18 CO -0.04 -0.25 -0.10 -0.89 0.00 0.00 0.00 175.10 173.82 1x6d s THR 19 N -2.01 2.01 -0.36 3.92 2.01 -0.96 -4.98 115.64 115.27 1x6d s THR 19 Ca 0.70 -1.50 -0.06 0.00 0.31 0.00 0.00 61.69 61.14 1x6d s THR 19 Cb -0.21 -2.14 0.06 0.00 0.01 0.00 0.00 72.50 70.22 1x6d s THR 19 CO 0.30 -0.02 0.14 -0.63 -0.69 0.00 0.00 174.62 173.72 1x6d s ILE 20 N 1.18 3.70 -0.19 1.82 -1.09 -1.26 -2.87 121.20 122.49 1x6d s ILE 20 Ca -0.08 -1.35 -0.06 0.00 -2.23 0.00 0.00 60.65 56.94 1x6d s ILE 20 Cb -0.19 -3.19 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 1x6d s ILE 20 CO -0.06 -0.31 0.02 -0.76 -1.23 0.00 0.00 174.94 172.60 1x6d s LEU 21 N 1.35 3.41 -0.53 2.97 2.01 -1.14 -4.98 118.68 121.76 1x6d s LEU 21 Ca 0.00 -0.12 -0.19 0.00 0.01 0.00 0.00 54.13 53.83 1x6d s LEU 21 Cb -0.21 -1.86 0.08 0.00 0.01 0.00 0.00 46.19 44.21 1x6d s LEU 21 CO 0.01 0.10 0.63 -1.00 1.01 0.00 0.00 176.35 177.10 1x6d s HIS 22 N 0.81 3.05 0.21 0.29 3.76 -1.26 -2.86 115.29 119.28 1x6d s HIS 22 Ca 0.01 -0.73 0.02 0.00 -0.15 0.00 0.00 55.06 54.22 1x6d s HIS 22 Cb -0.14 -3.68 -0.01 0.00 1.11 0.00 0.00 32.58 29.86 1x6d s HIS 22 CO 0.02 -1.11 0.07 0.36 -0.85 0.00 0.00 174.74 173.24 1x6d n LYS 23 N 6.14 0.78 -3.73 1.40 2.85 0.33 -5.02 118.16 120.91 1x6d n LYS 23 Ca -0.08 -1.73 -0.20 0.00 -1.05 0.00 0.00 58.31 55.24 1x6d n LYS 23 Cb 0.44 0.93 -0.02 0.00 -0.65 0.00 0.00 35.03 35.73 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 -2.78 3.03 -0.46 -1.58 2.02 -1.26 -4.38 118.70 113.29 1x6d s GLU 24 Ca 0.10 -1.06 -0.27 0.00 0.02 0.00 0.00 54.97 53.76 1x6d s GLU 24 Cb 0.00 -2.70 -0.05 0.00 0.10 0.00 0.00 34.13 31.49 1x6d s GLU 24 CO 0.07 0.17 2.22 -1.21 0.02 0.00 0.00 175.26 176.53 1x6d s GLU 25 N -4.05 2.47 0.00 1.61 2.02 -1.25 -1.40 118.70 118.11 1x6d s GLU 25 Ca 0.41 1.35 0.00 0.00 0.02 0.00 0.00 54.97 56.75 1x6d s GLU 25 Cb -0.08 -4.48 0.00 0.00 0.10 0.00 0.00 34.13 29.67 1x6d s GLU 25 CO 0.29 -2.87 0.00 0.41 0.02 0.00 0.00 175.26 173.11 1x6d n GLY 26 N 5.86 0.96 0.08 -1.39 0.00 0.61 -4.97 105.19 106.33 1x6d n GLY 26 Ca 0.31 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.28 1.76 0.00 4.61 0.00 -0.49 -5.05 120.51 119.05 1x6d n ALA 27 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1x6d n ALA 27 Cb 0.46 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 1.59 2.32 0.10 0.00 0.00 -1.26 -4.92 105.19 103.01 1x6d n GLY 28 Ca -0.23 -1.76 -0.18 0.00 0.00 0.00 0.00 46.02 43.86 1x6d n GLY 28 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x6d h LEU 29 N 0.00 0.21 0.00 0.99 3.38 -1.93 -3.45 115.31 114.51 1x6d h LEU 29 Ca 0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1x6d h LEU 29 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1x6d h LEU 29 CO 0.00 1.27 0.00 0.61 0.09 0.00 0.00 178.44 180.41 1x6d n GLY 30 N 1.63 1.64 3.35 0.83 0.00 -1.26 -1.71 105.19 109.67 1x6d n GLY 30 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.01 1.63 0.44 1.61 -0.71 -1.26 0.84 117.98 118.53 1x6d s PHE 31 Ca 0.00 -0.97 0.05 0.00 -1.04 0.00 0.00 56.93 54.97 1x6d s PHE 31 Cb 0.00 -0.97 -0.05 0.00 -1.21 0.00 0.00 43.02 40.79 1x6d s PHE 31 CO 0.00 -0.08 0.05 -1.54 -1.34 0.00 0.00 175.22 172.31 1x6d s SER 32 N -3.34 4.07 0.16 1.98 1.04 0.30 -4.95 113.70 112.96 1x6d s SER 32 Ca 0.31 -1.39 0.04 0.00 0.48 0.00 0.00 55.95 55.39 1x6d s SER 32 Cb 0.07 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1x6d s SER 32 CO 0.11 -0.60 0.20 -0.76 0.98 0.00 0.00 173.24 173.17 1x6d s LEU 33 N -3.81 4.03 0.03 2.42 1.43 -1.26 -2.31 118.68 119.20 1x6d s LEU 33 Ca 0.28 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1x6d s LEU 33 Cb 0.06 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 1x6d s LEU 33 CO 0.15 0.06 -0.04 0.00 0.23 0.00 0.00 176.35 176.74 1x6d s ALA 34 N -1.76 0.25 0.00 4.21 0.00 0.53 -4.21 121.76 120.78 1x6d s ALA 34 Ca 0.32 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1x6d s ALA 34 Cb -0.10 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1x6d s ALA 34 CO 0.26 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1x6d n GLY 35 N 1.39 -3.16 0.00 0.00 0.00 -1.26 0.19 105.19 102.34 1x6d n GLY 35 Ca -0.23 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.55 0.87 0.26 -0.02 0.00 0.18 -4.23 105.19 101.70 1x6d n GLY 36 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 0.60 0.00 4.61 0.00 -1.59 -2.52 119.26 120.36 1x6d h ALA 37 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1x6d h ALA 37 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1x6d h ALA 37 CO 0.00 0.68 -0.07 0.22 0.00 0.00 0.00 179.25 180.07 1x6d h ASP 38 N 0.73 0.00 -2.42 0.00 3.58 -1.87 -3.44 116.42 113.00 1x6d h ASP 38 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1x6d h ASP 38 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1x6d h ASP 38 CO 0.10 0.07 0.00 0.18 -2.88 0.00 0.00 179.24 176.71 1x6d n LEU 39 N -3.17 0.00 0.09 2.28 4.32 -0.95 -5.00 117.00 114.57 1x6d n LEU 39 Ca 0.01 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.01 1x6d n LEU 39 Cb 0.40 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.17 1x6d n LEU 39 CO 0.31 -0.44 0.14 -0.33 -1.22 0.00 0.00 177.39 175.84 1x6d h GLU 40 N 0.00 0.00 -4.51 3.23 4.39 -1.86 -3.42 114.58 112.41 1x6d h GLU 40 Ca 0.00 0.00 -0.72 0.00 0.34 0.00 0.00 59.36 58.98 1x6d h GLU 40 Cb 0.00 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 28.44 1x6d h GLU 40 CO 0.00 0.43 0.02 -0.80 -1.16 0.00 0.00 179.01 177.50 1x6d s ASN 41 N -6.17 6.19 0.15 1.42 0.01 -1.25 -4.91 114.94 110.38 1x6d s ASN 41 Ca 0.01 -1.55 -0.16 0.00 -0.71 0.00 0.00 52.86 50.45 1x6d s ASN 41 Cb 0.08 -2.28 0.01 0.00 0.41 0.00 0.00 41.25 39.48 1x6d s ASN 41 CO 0.78 -1.04 1.81 0.11 -1.51 0.00 0.00 177.10 177.25 1x6d h LYS 42 N 9.10 0.51 -5.64 -0.60 1.79 -1.80 0.53 116.57 120.45 1x6d h LYS 42 Ca -0.29 -0.03 -0.61 0.00 -2.18 0.00 0.00 60.65 57.54 1x6d h LYS 42 Cb 1.09 -0.12 -0.11 0.00 -1.58 0.00 0.00 32.23 31.52 1x6d h LYS 42 CO 1.08 0.34 0.29 0.54 -1.08 0.00 0.00 179.45 180.62 1x6d s VAL 43 N -6.16 4.88 0.78 0.50 0.11 -1.26 -4.16 120.40 115.09 1x6d s VAL 43 Ca -0.13 1.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.91 1x6d s VAL 43 Cb 0.11 -4.06 0.07 0.00 -1.53 0.00 0.00 36.38 30.97 1x6d s VAL 43 CO 0.72 -0.14 1.22 -0.38 -3.33 0.00 0.00 175.10 173.20 1x6d n ILE 44 N 5.39 2.56 -4.26 7.04 -0.00 -1.26 -4.72 119.36 124.10 1x6d n ILE 44 Ca 0.02 -0.26 -0.18 0.00 -0.00 0.00 0.00 62.75 62.33 1x6d n ILE 44 Cb 0.48 -1.25 -0.07 0.00 -0.00 0.00 0.00 39.64 38.80 1x6d n ILE 44 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1x6d n THR 45 N -3.06 0.00 -2.68 1.39 -2.24 0.50 -3.77 114.28 104.41 1x6d n THR 45 Ca 0.14 -2.24 -0.42 0.00 -2.27 0.00 0.00 64.05 59.26 1x6d n THR 45 Cb 0.50 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 1x6d n THR 45 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1x6d s VAL 46 N -3.24 3.99 0.07 2.28 1.01 -1.26 0.20 120.40 123.44 1x6d s VAL 46 Ca 0.37 0.03 -0.37 0.00 0.00 0.00 0.00 61.98 62.01 1x6d s VAL 46 Cb 0.02 -4.82 -0.20 0.00 0.00 0.00 0.00 36.38 31.37 1x6d s VAL 46 CO 0.26 -1.69 1.57 -0.74 0.00 0.00 0.00 175.10 174.50 1x6d h HIS 47 N 9.82 -1.28 -3.43 5.22 2.76 -1.63 -3.00 115.15 123.61 1x6d h HIS 47 Ca -0.27 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 57.78 1x6d h HIS 47 Cb 1.06 0.44 -0.17 0.00 1.55 0.00 0.00 27.41 30.29 1x6d h HIS 47 CO 1.07 -0.75 -0.32 1.03 -1.30 0.00 0.00 177.93 177.65 1x6d s ARG 48 N -5.97 0.75 -0.35 5.26 3.00 -1.26 -4.80 118.95 115.58 1x6d s ARG 48 Ca -0.19 -0.57 0.02 0.00 0.00 0.00 0.00 55.73 54.99 1x6d s ARG 48 Cb 0.03 0.32 0.10 0.00 0.00 0.00 0.00 34.95 35.40 1x6d s ARG 48 CO 0.60 -0.23 0.09 0.08 0.00 0.00 0.00 175.30 175.84 1x6d s VAL 49 N -2.56 1.84 0.66 3.52 1.01 -1.26 -0.54 120.40 123.07 1x6d s VAL 49 Ca -0.05 -2.16 -0.18 0.00 0.00 0.00 0.00 61.98 59.59 1x6d s VAL 49 Cb -0.01 -2.36 -0.15 0.00 0.00 0.00 0.00 36.38 33.86 1x6d s VAL 49 CO -0.04 -0.66 -0.34 0.49 0.00 0.00 0.00 175.10 174.56 1x6d n PHE 50 N 4.29 -3.62 0.16 5.22 3.72 0.25 -4.85 117.46 122.63 1x6d n PHE 50 Ca 0.03 0.30 0.03 0.00 -0.05 0.00 0.00 57.45 57.76 1x6d n PHE 50 Cb 0.41 -1.60 0.20 0.00 -0.94 0.00 0.00 39.48 37.55 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 -0.32 0.00 -3.33 -1.08 0.13 -2.00 -3.37 132.00 122.04 1x6d h PRO 51 Ca -0.42 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.06 1x6d h PRO 51 Cb 1.40 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.14 1x6d h PRO 51 CO 0.36 0.48 -0.50 -0.80 -0.23 0.00 0.00 178.00 177.31 1x6d s ASN 52 N -6.49 4.84 0.00 1.44 0.01 -1.26 -4.90 114.94 108.57 1x6d s ASN 52 Ca 0.01 -3.31 0.00 0.00 -0.71 0.00 0.00 52.86 48.86 1x6d s ASN 52 Cb 0.10 -1.72 0.00 0.00 0.41 0.00 0.00 41.25 40.05 1x6d s ASN 52 CO 0.72 -0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.71 1x6d n GLY 53 N 2.77 2.02 0.13 0.66 0.00 -1.26 -4.88 105.19 104.63 1x6d n GLY 53 Ca 0.12 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 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 1.95 -0.33 0.99 4.77 -0.69 -3.13 117.00 120.56 1x6d n LEU 54 Ca 0.00 0.36 0.26 0.00 -0.03 0.00 0.00 56.01 56.60 1x6d n LEU 54 Cb 0.00 -0.88 0.55 0.00 -2.33 0.00 0.00 43.42 40.76 1x6d n LEU 54 CO 0.00 0.48 1.23 0.00 -1.33 0.00 0.00 177.39 177.77 1x6d h ALA 55 N -0.77 2.39 0.03 -1.18 0.00 -1.81 0.48 119.26 118.40 1x6d h ALA 55 Ca -0.57 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1x6d h ALA 55 Cb 1.51 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.36 1x6d h ALA 55 CO -0.33 -0.81 -0.33 1.03 0.00 0.00 0.00 179.25 178.81 1x6d h SER 56 N 0.31 0.24 0.09 0.00 0.87 -1.78 -2.41 113.55 110.87 1x6d h SER 56 Ca 0.61 -0.86 0.02 0.00 -1.23 0.00 0.00 61.79 60.33 1x6d h SER 56 Cb 1.69 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 63.54 1x6d h SER 56 CO -0.27 1.08 -0.33 1.56 -0.53 0.00 0.00 176.83 178.33 1x6d h GLN 57 N -0.56 -0.52 -0.79 2.24 4.20 -0.60 -1.89 115.11 117.19 1x6d h GLN 57 Ca -0.05 0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.75 1x6d h GLN 57 Cb 1.15 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 29.00 1x6d h GLN 57 CO 0.06 -0.35 0.48 0.93 -0.67 0.00 0.00 178.83 179.29 1x6d h GLU 58 N -0.54 0.87 0.00 1.46 4.39 -0.34 -3.46 114.58 116.96 1x6d h GLU 58 Ca 0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1x6d h GLU 58 Cb 0.59 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1x6d h GLU 58 CO -0.22 0.58 0.00 0.41 -1.16 0.00 0.00 179.01 178.62 1x6d n GLY 59 N -1.31 1.63 0.07 -3.84 0.00 -0.71 -4.90 105.19 96.13 1x6d n GLY 59 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 1.16 -3.41 2.61 2.02 -1.86 -3.34 112.91 110.08 1x6d h THR 60 Ca 0.00 -0.47 -0.76 0.00 0.77 0.00 0.00 66.41 65.95 1x6d h THR 60 Cb 0.00 1.37 -0.24 0.00 -1.74 0.00 0.00 68.15 67.54 1x6d h THR 60 CO 0.00 0.13 0.32 -0.63 0.37 0.00 0.00 175.52 175.71 1x6d s ILE 61 N -5.46 5.36 -0.20 3.11 1.01 -1.24 -5.01 121.20 118.77 1x6d s ILE 61 Ca -0.14 -2.21 -0.08 0.00 0.00 0.00 0.00 60.65 58.22 1x6d s ILE 61 Cb 0.05 -4.56 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1x6d s ILE 61 CO 0.68 -1.17 0.07 -1.10 0.00 0.00 0.00 174.94 173.42 1x6d s GLN 62 N 0.90 3.89 -0.63 2.79 -0.21 -1.26 -4.48 119.66 120.66 1x6d s GLN 62 Ca 0.22 -0.38 -0.38 0.00 0.02 0.00 0.00 55.36 54.84 1x6d s GLN 62 Cb -0.08 -3.26 -0.19 0.00 1.00 0.00 0.00 33.01 30.47 1x6d s GLN 62 CO -0.09 0.13 2.21 1.17 -2.12 0.00 0.00 175.29 176.59 1x6d n LYS 63 N 3.98 0.00 0.00 2.91 4.81 -1.26 -1.33 118.16 127.27 1x6d n LYS 63 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1x6d n LYS 63 Cb 0.52 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 34.14 1x6d n LYS 63 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x6d n GLY 64 N 6.85 0.81 0.41 3.14 0.00 -1.13 -5.02 105.19 110.26 1x6d n GLY 64 Ca 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.67 -0.00 1.61 5.03 -0.44 -4.86 115.26 114.93 1x6d n ASN 65 Ca 0.00 -0.08 0.02 0.00 0.87 0.00 0.00 54.58 55.39 1x6d n ASN 65 Cb 0.00 -0.11 -0.03 0.00 -1.02 0.00 0.00 39.78 38.61 1x6d n ASN 65 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1x6d n GLU 66 N -1.62 1.35 -3.02 3.52 0.00 -1.26 -4.23 120.64 115.39 1x6d n GLU 66 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 57.16 57.13 1x6d n GLU 66 Cb 0.06 -1.02 -0.00 0.00 0.00 0.00 0.00 31.44 30.47 1x6d n GLU 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1x6d n VAL 67 N -1.53 -4.79 -0.04 3.84 0.31 -1.25 -4.20 118.33 110.68 1x6d n VAL 67 Ca -0.00 0.87 -0.14 0.00 -0.01 0.00 0.00 64.34 65.06 1x6d n VAL 67 Cb 0.11 -3.99 -0.11 0.00 -0.91 0.00 0.00 33.84 28.94 1x6d n VAL 67 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x6d h LEU 68 N 3.91 0.04 -8.16 7.52 3.38 -1.57 -3.39 115.31 117.03 1x6d h LEU 68 Ca -0.06 -0.71 -0.09 0.00 0.09 0.00 0.00 57.88 57.11 1x6d h LEU 68 Cb 0.60 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1x6d h LEU 68 CO 0.02 0.74 0.13 -0.94 0.09 0.00 0.00 178.44 178.49 1x6d s SER 69 N -5.97 0.26 -0.11 -0.43 1.04 -1.25 -3.84 113.70 103.40 1x6d s SER 69 Ca -0.17 -1.23 -0.05 0.00 0.48 0.00 0.00 55.95 54.99 1x6d s SER 69 Cb -0.00 0.79 0.05 0.00 0.10 0.00 0.00 66.02 66.96 1x6d s SER 69 CO 0.69 -1.56 0.23 -0.63 0.98 0.00 0.00 173.24 172.95 1x6d s ILE 70 N -2.59 -0.22 0.00 -1.02 1.01 -1.11 -2.99 121.20 114.27 1x6d s ILE 70 Ca 0.20 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1x6d s ILE 70 Cb -0.04 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 42.05 1x6d s ILE 70 CO 0.14 0.10 0.00 0.59 0.00 0.00 0.00 174.94 175.77 1x6d n ASN 71 N 4.83 -3.15 0.00 3.58 4.13 0.52 -1.36 115.26 123.81 1x6d n ASN 71 Ca -0.15 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.11 1x6d n ASN 71 Cb 0.51 -1.72 0.00 0.00 -1.54 0.00 0.00 39.78 37.03 1x6d n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x6d n GLY 72 N -1.35 0.90 3.45 7.41 0.00 -1.26 -4.97 105.19 109.37 1x6d n GLY 72 Ca 0.00 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.77 3.12 -0.02 1.61 1.02 -0.47 -5.03 119.74 119.21 1x6d s LYS 73 Ca 0.00 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 54.83 1x6d s LYS 73 Cb 0.00 -4.08 -0.04 0.00 -0.52 0.00 0.00 37.83 33.19 1x6d s LYS 73 CO 0.00 -1.16 1.21 -1.54 -0.92 0.00 0.00 175.35 172.94 1x6d s SER 74 N 2.56 7.05 -0.55 2.83 1.04 -1.26 -2.77 113.70 122.60 1x6d s SER 74 Ca 0.15 1.88 -0.27 0.00 0.48 0.00 0.00 55.95 58.19 1x6d s SER 74 Cb -0.19 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 1x6d s SER 74 CO 0.12 -0.56 1.91 -0.76 0.98 0.00 0.00 173.24 174.93 1x6d s LEU 75 N 1.93 3.34 -0.03 2.42 1.43 -1.25 -4.77 118.68 121.74 1x6d s LEU 75 Ca 0.57 0.59 0.07 0.00 -1.03 0.00 0.00 54.13 54.33 1x6d s LEU 75 Cb -0.26 -2.69 0.27 0.00 0.03 0.00 0.00 46.19 43.54 1x6d s LEU 75 CO 0.24 -2.32 1.12 2.29 0.23 0.00 0.00 176.35 177.91 1x6d n LYS 76 N 9.03 1.97 0.00 1.70 0.00 -1.26 -4.68 118.16 124.93 1x6d n LYS 76 Ca 0.23 -1.09 0.00 0.00 -0.00 0.00 0.00 58.31 57.45 1x6d n LYS 76 Cb 0.51 -1.44 0.00 0.00 -0.00 0.00 0.00 35.03 34.11 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 0.68 1.98 3.72 2.58 0.00 -1.26 -5.10 105.19 107.78 1x6d n GLY 77 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.09 2.81 -1.66 2.61 -1.04 -1.26 -4.29 114.28 111.37 1x6d n THR 78 Ca 0.00 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.20 1x6d n THR 78 Cb 0.00 -1.62 0.04 0.00 -1.82 0.00 0.00 70.33 66.93 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 -1.22 4.17 0.28 12.58 -4.23 -1.26 -2.13 115.64 123.83 1x6d s THR 79 Ca 0.63 0.70 0.01 0.00 -1.18 0.00 0.00 61.69 61.85 1x6d s THR 79 Cb -0.48 -3.52 0.31 0.00 1.34 0.00 0.00 72.50 70.15 1x6d s THR 79 CO 0.56 -0.92 1.65 -0.74 -0.54 0.00 0.00 174.62 174.63 1x6d h HIS 80 N -0.62 0.31 0.61 3.99 2.76 -1.89 0.74 115.15 121.04 1x6d h HIS 80 Ca -0.44 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 57.75 1x6d h HIS 80 Cb 1.21 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.18 1x6d h HIS 80 CO 0.62 -0.21 -0.29 1.25 -1.30 0.00 0.00 177.93 178.00 1x6d h HIS 81 N 0.20 -0.76 -0.94 5.26 -0.00 -1.91 0.53 115.15 117.52 1x6d h HIS 81 Ca 0.54 -0.02 0.27 0.00 -0.00 0.00 0.00 60.37 61.16 1x6d h HIS 81 Cb 1.07 0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 28.70 1x6d h HIS 81 CO -0.28 -0.47 0.87 -0.44 -0.00 0.00 0.00 177.93 177.60 1x6d h ASP 82 N -1.21 0.00 0.00 3.26 5.19 -1.56 0.56 116.42 122.66 1x6d h ASP 82 Ca -0.08 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.29 1x6d h ASP 82 Cb 0.63 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 1x6d h ASP 82 CO 0.14 0.00 -0.30 0.00 -3.12 0.00 0.00 179.24 175.96 1x6d h ALA 83 N 1.14 0.05 -0.72 3.45 0.00 0.70 -2.68 119.26 121.20 1x6d h ALA 83 Ca 0.44 -0.47 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1x6d h ALA 83 Cb 2.18 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 20.07 1x6d h ALA 83 CO -0.00 0.20 0.15 -0.07 0.00 0.00 0.00 179.25 179.53 1x6d h LEU 84 N -1.00 -0.03 0.70 0.00 3.38 0.33 0.35 115.31 119.05 1x6d h LEU 84 Ca -0.06 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1x6d h LEU 84 Cb 0.65 0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.62 1x6d h LEU 84 CO -0.04 -0.05 -0.34 0.00 0.09 0.00 0.00 178.44 178.11 1x6d h ALA 85 N 1.60 -0.94 -1.09 1.53 0.00 -0.19 0.90 119.26 121.06 1x6d h ALA 85 Ca 0.40 -0.21 0.30 0.00 0.00 0.00 0.00 54.91 55.40 1x6d h ALA 85 Cb 0.68 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 1x6d h ALA 85 CO -0.51 -1.01 0.74 0.82 0.00 0.00 0.00 179.25 179.28 1x6d h ILE 86 N -0.98 0.47 -0.08 0.00 2.04 -0.84 1.56 117.51 119.68 1x6d h ILE 86 Ca -0.10 -0.08 -0.17 0.00 1.00 0.00 0.00 64.86 65.51 1x6d h ILE 86 Cb 0.73 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1x6d h ILE 86 CO 0.16 0.04 -0.69 0.25 0.00 0.00 0.00 178.15 177.91 1x6d h LEU 87 N 0.23 0.42 -1.16 1.44 7.12 0.41 -2.40 115.31 121.37 1x6d h LEU 87 Ca 0.58 -0.26 0.00 0.00 0.13 0.00 0.00 57.88 58.33 1x6d h LEU 87 Cb 1.81 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.82 1x6d h LEU 87 CO -0.19 0.98 0.00 0.03 -0.13 0.00 0.00 178.44 179.13 1x6d h ARG 88 N 0.25 0.00 0.01 1.25 3.08 0.46 -2.58 114.38 116.85 1x6d h ARG 88 Ca -0.02 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.76 1x6d h ARG 88 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 1x6d h ARG 88 CO 0.11 0.00 -1.50 1.96 -1.07 0.00 0.00 179.97 179.47 1x6d h GLN 89 N 0.00 0.02 0.00 0.04 4.20 -0.66 -3.25 115.11 115.45 1x6d h GLN 89 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1x6d h GLN 89 Cb 0.49 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1x6d h GLN 89 CO 0.00 0.68 0.00 0.00 -0.67 0.00 0.00 178.83 178.84 1x6d n ALA 90 N -2.51 1.72 1.05 3.87 0.00 -0.94 -0.94 120.51 122.76 1x6d n ALA 90 Ca -0.12 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1x6d n ALA 90 Cb 1.02 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 19.31 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 1.15 -0.05 0.00 1.74 -1.21 -4.24 116.66 112.68 1x6d n ARG 91 Ca 0.05 -0.92 -0.14 0.00 -0.77 0.00 0.00 57.85 56.07 1x6d n ARG 91 Cb 0.13 -1.48 -0.07 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 2.24 0.46 0.00 5.56 4.39 -1.17 0.17 114.58 126.23 1x6d h GLU 92 Ca 0.00 -0.29 -0.06 0.00 0.34 0.00 0.00 59.36 59.34 1x6d h GLU 92 Cb 0.71 0.04 0.03 0.00 -0.10 0.00 0.00 28.75 29.43 1x6d h GLU 92 CO 0.00 0.90 0.04 -0.35 -1.16 0.00 0.00 179.01 178.44 1x6d n PRO 93 N -4.40 -0.77 -0.03 2.33 -0.04 -1.26 -3.31 135.00 127.54 1x6d n PRO 93 Ca -0.07 -0.30 0.05 0.00 -0.04 0.00 0.00 63.50 63.15 1x6d n PRO 93 Cb 0.47 -0.23 -0.16 0.00 -0.04 0.00 0.00 33.50 33.54 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 -1.73 0.66 -4.46 0.54 1.74 -1.26 -3.74 116.66 108.41 1x6d n ARG 94 Ca 0.02 -0.13 -0.25 0.00 -0.77 0.00 0.00 57.85 56.73 1x6d n ARG 94 Cb 0.09 -1.54 -0.13 0.00 -1.02 0.00 0.00 32.46 29.86 1x6d n ARG 94 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1x6d s GLN 95 N -3.23 1.26 0.01 5.56 0.74 -1.26 0.12 119.66 122.86 1x6d s GLN 95 Ca -0.08 -1.05 0.06 0.00 0.05 0.00 0.00 55.36 54.33 1x6d s GLN 95 Cb 0.12 -1.45 -0.02 0.00 1.10 0.00 0.00 33.01 32.76 1x6d s GLN 95 CO 0.88 0.35 -0.18 0.00 -0.55 0.00 0.00 175.29 175.80 1x6d s ALA 96 N -0.98 1.49 -0.22 1.58 0.00 -1.14 -4.97 121.76 117.52 1x6d s ALA 96 Ca 0.07 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1x6d s ALA 96 Cb -0.09 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.73 1x6d s ALA 96 CO 0.03 0.35 -0.13 0.08 0.00 0.00 0.00 175.76 176.09 1x6d s VAL 97 N -0.58 2.34 -0.11 0.00 1.01 -1.25 -2.88 120.40 118.94 1x6d s VAL 97 Ca 0.06 -1.17 -0.00 0.00 0.00 0.00 0.00 61.98 60.87 1x6d s VAL 97 Cb -0.07 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.16 1x6d s VAL 97 CO 0.00 0.27 -0.08 -0.63 0.00 0.00 0.00 175.10 174.66 1x6d s ILE 98 N 1.24 1.03 -0.19 2.22 1.09 -1.14 0.20 121.20 125.65 1x6d s ILE 98 Ca -0.01 -0.30 -0.18 0.00 -1.10 0.00 0.00 60.65 59.06 1x6d s ILE 98 Cb -0.16 -1.04 -0.03 0.00 -1.06 0.00 0.00 42.46 40.17 1x6d s ILE 98 CO -0.08 0.36 0.50 -0.69 -0.10 0.00 0.00 174.94 174.93 1x6d s VAL 99 N 1.59 5.13 -0.04 2.92 1.01 -1.16 -2.26 120.40 127.59 1x6d s VAL 99 Ca 0.03 0.93 -0.06 0.00 0.00 0.00 0.00 61.98 62.87 1x6d s VAL 99 Cb -0.13 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1x6d s VAL 99 CO -0.07 0.21 0.15 0.42 0.00 0.00 0.00 175.10 175.81 1x6d s THR 100 N 1.45 0.03 0.12 3.92 -4.23 -1.21 -1.62 115.64 114.10 1x6d s THR 100 Ca 0.24 -0.26 0.07 0.00 -1.18 0.00 0.00 61.69 60.56 1x6d s THR 100 Cb -0.15 -0.30 -0.04 0.00 1.34 0.00 0.00 72.50 73.34 1x6d s THR 100 CO 0.10 -0.14 -0.06 0.00 -0.54 0.00 0.00 174.62 173.97 1x6d s ARG 101 N -0.46 2.25 -0.09 3.99 1.70 -1.26 -2.86 118.95 122.22 1x6d s ARG 101 Ca -0.05 -1.01 -0.29 0.00 -0.47 0.00 0.00 55.73 53.90 1x6d s ARG 101 Cb -0.04 -2.35 -0.06 0.00 -0.57 0.00 0.00 34.95 31.93 1x6d s ARG 101 CO 0.01 0.50 1.82 0.15 -1.08 0.00 0.00 175.30 176.70 1x6d s LYS 102 N -2.39 3.92 -0.17 3.89 -0.14 -1.26 -4.73 119.74 118.86 1x6d s LYS 102 Ca 0.24 2.15 -0.06 0.00 -1.36 0.00 0.00 55.97 56.94 1x6d s LYS 102 Cb -0.11 -4.11 -0.04 0.00 -1.68 0.00 0.00 37.83 31.90 1x6d s LYS 102 CO 0.16 -1.18 0.02 -0.51 -0.76 0.00 0.00 175.35 173.08 1x6d s LEU 103 N 5.09 3.58 0.90 3.17 1.43 -1.26 -5.08 118.68 126.51 1x6d s LEU 103 Ca 0.81 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.76 1x6d s LEU 103 Cb -0.34 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 1x6d s LEU 103 CO 0.34 0.17 0.18 0.35 0.23 0.00 0.00 176.35 177.61 1x6d n THR 104 N 3.56 0.36 -1.56 5.49 -2.24 -1.26 -4.95 114.28 113.68 1x6d n THR 104 Ca -0.17 -0.30 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 1x6d n THR 104 Cb 0.52 -0.51 0.07 0.00 -2.10 0.00 0.00 70.33 68.32 1x6d n THR 104 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1x6d s PRO 105 N -3.07 2.50 -0.06 -0.78 0.04 -1.26 -5.02 135.00 127.35 1x6d s PRO 105 Ca 0.55 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 1x6d s PRO 105 Cb -0.24 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1x6d s PRO 105 CO 0.69 -1.37 0.15 0.93 0.04 0.00 0.00 177.00 177.43 1x6d h GLU 106 N -0.91 -0.09 0.00 4.56 5.08 -2.03 -3.46 114.58 117.72 1x6d h GLU 106 Ca -0.45 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 57.80 1x6d h GLU 106 Cb 1.24 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.38 1x6d h GLU 106 CO 0.58 -0.06 -0.12 0.00 -1.00 0.00 0.00 179.01 178.41 1x6d n ALA 107 N -2.51 -2.88 -3.20 3.43 0.00 -1.26 -5.09 120.51 108.99 1x6d n ALA 107 Ca -0.01 -0.61 -0.11 0.00 0.00 0.00 0.00 53.44 52.71 1x6d n ALA 107 Cb 0.04 -2.72 -0.05 0.00 0.00 0.00 0.00 19.45 16.72 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 0.20 0.82 0.42 0.00 0.00 -1.26 -5.14 119.30 114.33 1x6d s MET 108 Ca 0.25 -0.95 -0.23 0.00 0.00 0.00 0.00 55.69 54.76 1x6d s MET 108 Cb 0.24 -0.48 -0.09 0.00 0.00 0.00 0.00 34.83 34.50 1x6d s MET 108 CO -0.14 -1.25 1.05 -1.25 0.00 0.00 0.00 175.02 173.43 1x6d s PRO 109 N 1.21 4.07 -0.47 4.11 0.04 -1.26 -5.01 135.00 137.69 1x6d s PRO 109 Ca 0.22 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 1x6d s PRO 109 Cb -0.07 -2.44 0.07 0.00 0.04 0.00 0.00 34.50 32.10 1x6d s PRO 109 CO -0.06 -0.21 0.42 0.16 0.04 0.00 0.00 177.00 177.34 1x6d s ASP 110 N -1.65 6.16 -1.09 6.66 -4.77 -1.26 -4.95 116.67 115.76 1x6d s ASP 110 Ca 0.60 -1.25 -0.05 0.00 -3.30 0.00 0.00 52.55 48.54 1x6d s ASP 110 Cb -0.21 -2.20 0.09 0.00 -1.09 0.00 0.00 42.92 39.51 1x6d s ASP 110 CO 0.26 -0.67 2.53 0.18 0.70 0.00 0.00 175.17 178.17 1x6d n LEU 111 N 5.32 7.64 0.00 2.11 4.32 -1.26 -4.81 117.00 130.32 1x6d n LEU 111 Ca -0.12 -4.63 0.00 0.00 -0.02 0.00 0.00 56.01 51.24 1x6d n LEU 111 Cb 0.44 -1.34 0.00 0.00 -1.62 0.00 0.00 43.42 40.90 1x6d n LEU 111 CO 0.48 1.98 0.00 -3.20 -1.22 0.00 0.00 177.39 175.42 1x6d n ASN 112 N 1.60 0.00 -3.34 -1.43 2.85 -1.26 -5.11 115.26 108.56 1x6d n ASN 112 Ca 0.59 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.83 1x6d n ASN 112 Cb 0.33 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.27 1x6d n ASN 112 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1x6d s SER 113 N 0.00 1.48 0.68 1.20 0.15 -1.26 -5.14 113.70 110.82 1x6d s SER 113 Ca 0.00 -2.37 -0.11 0.00 0.70 0.00 0.00 55.95 54.17 1x6d s SER 113 Cb 0.00 0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1x6d s SER 113 CO 0.00 -0.22 1.07 -0.44 1.20 0.00 0.00 173.24 174.85 1x6d s SER 114 N 0.72 5.54 0.24 5.45 0.01 -1.26 -5.10 113.70 119.30 1x6d s SER 114 Ca 0.25 1.11 0.03 0.00 1.31 0.00 0.00 55.95 58.65 1x6d s SER 114 Cb -0.08 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.18 1x6d s SER 114 CO -0.09 -1.26 0.12 0.61 0.41 0.00 0.00 173.24 173.03 1x6d n GLY 115 N -2.93 3.48 3.78 3.44 0.00 -1.26 -5.16 105.19 106.53 1x6d n GLY 115 Ca 0.06 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.95 0.62 0.04 1.61 0.04 -1.26 -5.09 135.00 128.02 1x6d s PRO 116 Ca 0.17 0.09 -0.29 0.00 0.04 0.00 0.00 61.00 61.02 1x6d s PRO 116 Cb 0.01 -1.80 0.10 0.00 0.04 0.00 0.00 34.50 32.85 1x6d s PRO 116 CO 0.12 -2.51 1.15 0.45 0.04 0.00 0.00 177.00 176.25 1x6d s SER 117 N -4.17 -0.12 0.31 6.66 0.15 -1.26 -5.19 113.70 110.09 1x6d s SER 117 Ca 0.67 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 57.13 1x6d s SER 117 Cb -0.12 0.29 -0.06 0.00 -1.71 0.00 0.00 66.02 64.42 1x6d s SER 117 CO 0.54 -0.53 0.06 -0.44 1.20 0.00 0.00 173.24 174.07 1x6d s SER 118 N -2.90 2.12 0.00 5.45 0.01 -1.26 -5.37 113.70 111.75 1x6d s SER 118 Ca 0.13 -1.37 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1x6d s SER 118 Cb 0.02 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1x6d s SER 118 CO -0.02 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.61