#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 -0.15 -0.30 1.61 1.04 -1.26 -5.17 113.70 109.48 1x6d s SER 2 Ca 0.00 -0.35 -0.25 0.00 0.48 0.00 0.00 55.95 55.83 1x6d s SER 2 Cb 0.00 0.43 0.18 0.00 0.10 0.00 0.00 66.02 66.73 1x6d s SER 2 CO 0.00 -0.78 1.39 -0.94 0.98 0.00 0.00 173.24 173.89 1x6d s SER 3 N -2.67 -0.10 0.00 7.02 1.04 -1.26 -5.18 113.70 112.56 1x6d s SER 3 Ca 0.02 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1x6d s SER 3 Cb 0.02 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1x6d s SER 3 CO -0.10 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1x6d n GLY 4 N 1.72 4.29 3.73 7.32 0.00 -1.26 -5.19 105.19 115.81 1x6d n GLY 4 Ca -0.11 -1.03 -0.07 0.00 0.00 0.00 0.00 46.02 44.81 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 1.00 -0.29 -0.29 1.61 0.15 -1.26 -5.17 113.70 109.45 1x6d s SER 5 Ca 0.00 -0.40 -0.13 0.00 0.70 0.00 0.00 55.95 56.12 1x6d s SER 5 Cb 0.00 0.61 0.13 0.00 -1.71 0.00 0.00 66.02 65.05 1x6d s SER 5 CO 0.00 -1.10 0.78 -0.44 1.20 0.00 0.00 173.24 173.69 1x6d s SER 6 N -2.86 -0.88 0.28 5.45 0.01 -1.26 -5.18 113.70 109.27 1x6d s SER 6 Ca 0.09 1.28 0.03 0.00 1.31 0.00 0.00 55.95 58.66 1x6d s SER 6 Cb -0.03 1.78 -0.03 0.00 0.21 0.00 0.00 66.02 67.94 1x6d s SER 6 CO 0.01 -0.19 0.25 -0.83 0.41 0.00 0.00 173.24 172.89 1x6d s GLY 7 N 2.26 1.91 0.10 3.44 0.00 -1.26 -5.18 107.32 108.59 1x6d s GLY 7 Ca -0.07 -1.87 0.03 0.00 0.00 0.00 0.00 44.72 42.81 1x6d s GLY 7 CO -0.18 -1.39 -0.09 0.00 0.00 0.00 0.00 173.10 171.44 1x6d s ALA 8 N -3.68 1.07 0.08 3.20 0.00 -1.26 -5.16 121.76 116.01 1x6d s ALA 8 Ca 0.39 -1.24 -0.26 0.00 0.00 0.00 0.00 51.96 50.86 1x6d s ALA 8 Cb 0.04 0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.30 1x6d s ALA 8 CO 0.21 -0.10 0.68 -0.08 0.00 0.00 0.00 175.76 176.48 1x6d s THR 9 N -2.79 0.00 0.43 0.00 -1.32 -1.26 -5.18 115.64 105.53 1x6d s THR 9 Ca 0.07 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.58 1x6d s THR 9 Cb -0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1x6d s THR 9 CO -0.01 0.00 0.62 -0.76 -2.21 0.00 0.00 174.62 172.26 1x6d s LEU 10 N -2.35 3.67 0.01 9.08 1.43 -1.26 -5.06 118.68 124.20 1x6d s LEU 10 Ca -0.01 0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1x6d s LEU 10 Cb -0.01 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 1x6d s LEU 10 CO -0.08 -0.72 -0.05 1.17 0.23 0.00 0.00 176.35 176.91 1x6d n LYS 11 N -1.98 0.08 -3.72 1.70 4.81 -1.26 -5.10 118.16 112.69 1x6d n LYS 11 Ca 0.03 0.03 -0.13 0.00 -0.87 0.00 0.00 58.31 57.37 1x6d n LYS 11 Cb 0.58 -0.46 -0.10 0.00 0.02 0.00 0.00 35.03 35.08 1x6d n LYS 11 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1x6d s GLN 12 N -1.63 0.54 -0.30 1.64 -0.21 -1.26 -5.15 119.66 113.29 1x6d s GLN 12 Ca -0.04 0.64 -0.17 0.00 0.02 0.00 0.00 55.36 55.81 1x6d s GLN 12 Cb 0.01 0.26 0.19 0.00 1.00 0.00 0.00 33.01 34.47 1x6d s GLN 12 CO 0.06 -0.07 1.19 -1.17 -2.12 0.00 0.00 175.29 173.19 1x6d s LEU 13 N 0.26 -0.19 0.42 2.90 0.20 -1.26 -5.15 118.68 115.86 1x6d s LEU 13 Ca -0.00 0.29 0.00 0.00 0.69 0.00 0.00 54.13 55.11 1x6d s LEU 13 Cb -0.03 1.25 0.00 0.00 -0.43 0.00 0.00 46.19 46.98 1x6d s LEU 13 CO 0.00 -0.04 0.00 -0.67 -0.29 0.00 0.00 176.35 175.35 1x6d n ASP 14 N 3.72 -5.59 -3.37 3.68 -0.08 -1.26 -4.51 116.55 109.13 1x6d n ASP 14 Ca -0.14 1.15 -0.39 0.00 -1.51 0.00 0.00 54.79 53.91 1x6d n ASP 14 Cb 0.56 -3.28 -0.00 0.00 2.34 0.00 0.00 41.12 40.73 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 -2.91 5.35 3.22 0.27 0.00 -1.26 -4.90 105.19 104.96 1x6d n GLY 15 Ca -0.03 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 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 -2.26 2.81 -0.18 -0.61 -1.09 -1.26 -3.80 121.20 114.81 1x6d s ILE 16 Ca 0.51 -0.75 0.01 0.00 -2.23 0.00 0.00 60.65 58.18 1x6d s ILE 16 Cb 0.22 -2.28 0.04 0.00 -1.58 0.00 0.00 42.46 38.86 1x6d s ILE 16 CO -0.14 0.42 -0.12 -2.28 -1.23 0.00 0.00 174.94 171.60 1x6d s HIS 17 N 1.38 2.34 0.35 3.97 5.65 -1.07 -5.01 115.29 122.89 1x6d s HIS 17 Ca 0.04 -1.47 -0.26 0.00 0.25 0.00 0.00 55.06 53.61 1x6d s HIS 17 Cb -0.14 -1.63 -0.09 0.00 -1.18 0.00 0.00 32.58 29.54 1x6d s HIS 17 CO -0.07 -0.72 1.08 0.54 -0.65 0.00 0.00 174.74 174.92 1x6d s VAL 18 N 1.42 3.57 -0.24 0.89 0.11 -1.26 -4.11 120.40 120.78 1x6d s VAL 18 Ca 0.01 1.37 0.01 0.00 -2.93 0.00 0.00 61.98 60.44 1x6d s VAL 18 Cb -0.15 -3.79 0.06 0.00 -1.53 0.00 0.00 36.38 30.97 1x6d s VAL 18 CO -0.09 0.17 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.88 1x6d s THR 19 N -1.42 1.74 -0.51 5.04 2.01 -1.20 -5.02 115.64 116.29 1x6d s THR 19 Ca 0.52 -1.33 -0.24 0.00 0.31 0.00 0.00 61.69 60.95 1x6d s THR 19 Cb -0.27 -1.94 0.03 0.00 0.01 0.00 0.00 72.50 70.34 1x6d s THR 19 CO 0.34 -0.05 0.90 -0.63 -0.69 0.00 0.00 174.62 174.50 1x6d s ILE 20 N 1.30 4.47 -0.14 1.82 -1.09 -1.26 -3.48 121.20 122.83 1x6d s ILE 20 Ca -0.06 0.42 -0.18 0.00 -2.23 0.00 0.00 60.65 58.60 1x6d s ILE 20 Cb -0.19 -4.47 -0.04 0.00 -1.58 0.00 0.00 42.46 36.18 1x6d s ILE 20 CO -0.06 -0.96 0.48 -0.76 -1.23 0.00 0.00 174.94 172.41 1x6d s LEU 21 N 3.75 4.25 -0.41 2.97 1.02 -0.76 -4.96 118.68 124.53 1x6d s LEU 21 Ca 0.32 0.77 -0.10 0.00 0.02 0.00 0.00 54.13 55.14 1x6d s LEU 21 Cb -0.12 -2.68 0.07 0.00 0.02 0.00 0.00 46.19 43.47 1x6d s LEU 21 CO 0.22 -0.03 0.24 -1.00 0.02 0.00 0.00 176.35 175.80 1x6d s HIS 22 N 0.83 3.31 0.18 0.29 3.76 -1.26 -2.47 115.29 119.93 1x6d s HIS 22 Ca 0.25 -1.40 0.03 0.00 -0.15 0.00 0.00 55.06 53.79 1x6d s HIS 22 Cb -0.15 -2.82 -0.01 0.00 1.11 0.00 0.00 32.58 30.71 1x6d s HIS 22 CO 0.10 -0.80 0.10 0.36 -0.85 0.00 0.00 174.74 173.65 1x6d n LYS 23 N 4.93 0.49 -3.21 1.40 2.85 0.32 -5.03 118.16 119.92 1x6d n LYS 23 Ca -0.11 -1.62 -0.19 0.00 -1.05 0.00 0.00 58.31 55.35 1x6d n LYS 23 Cb 0.44 1.09 0.00 0.00 -0.65 0.00 0.00 35.03 35.91 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 -2.70 2.66 -0.47 -1.58 2.02 -1.26 -4.38 118.70 112.99 1x6d s GLU 24 Ca 0.14 -1.41 -0.27 0.00 0.02 0.00 0.00 54.97 53.46 1x6d s GLU 24 Cb 0.01 -2.61 -0.05 0.00 0.10 0.00 0.00 34.13 31.58 1x6d s GLU 24 CO 0.10 -0.33 2.14 -1.21 0.02 0.00 0.00 175.26 175.99 1x6d s GLU 25 N -4.32 2.54 -0.23 1.61 2.02 -1.25 -1.78 118.70 117.29 1x6d s GLU 25 Ca 0.53 1.24 -0.01 0.00 0.02 0.00 0.00 54.97 56.75 1x6d s GLU 25 Cb -0.07 -4.45 0.00 0.00 0.10 0.00 0.00 34.13 29.71 1x6d s GLU 25 CO 0.32 -2.79 0.19 0.41 0.02 0.00 0.00 175.26 173.41 1x6d n GLY 26 N 5.81 0.60 0.04 -1.39 0.00 -0.41 -4.96 105.19 104.89 1x6d n GLY 26 Ca 0.29 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.59 2.69 0.00 4.61 0.00 -0.74 -5.07 120.51 119.42 1x6d n ALA 27 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1x6d n ALA 27 Cb 0.51 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 1.25 0.04 0.11 0.00 0.00 -1.26 -4.89 105.19 100.44 1x6d n GLY 28 Ca -0.04 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 0.23 0.00 0.99 3.38 -1.92 -3.45 115.31 114.54 1x6d h LEU 29 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1x6d h LEU 29 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1x6d h LEU 29 CO 0.00 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.55 1x6d n GLY 30 N -0.50 1.32 3.28 0.83 0.00 -1.26 -1.92 105.19 106.94 1x6d n GLY 30 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.72 1.40 0.41 1.61 -0.71 -1.26 -0.75 117.98 116.96 1x6d s PHE 31 Ca 0.00 -1.24 0.05 0.00 -1.04 0.00 0.00 56.93 54.70 1x6d s PHE 31 Cb 0.00 -0.78 -0.06 0.00 -1.21 0.00 0.00 43.02 40.97 1x6d s PHE 31 CO 0.00 -0.43 0.03 -1.54 -1.34 0.00 0.00 175.22 171.94 1x6d s SER 32 N -3.26 3.49 0.17 1.98 1.04 -0.82 -4.98 113.70 111.33 1x6d s SER 32 Ca 0.38 -1.46 0.03 0.00 0.48 0.00 0.00 55.95 55.38 1x6d s SER 32 Cb 0.08 -0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 1x6d s SER 32 CO 0.13 -0.61 0.29 -0.76 0.98 0.00 0.00 173.24 173.26 1x6d s LEU 33 N -3.69 4.27 -0.04 2.42 1.43 -1.26 -2.34 118.68 119.48 1x6d s LEU 33 Ca 0.28 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1x6d s LEU 33 Cb 0.07 -2.84 0.03 0.00 0.03 0.00 0.00 46.19 43.48 1x6d s LEU 33 CO 0.14 0.02 0.09 0.00 0.23 0.00 0.00 176.35 176.83 1x6d s ALA 34 N -1.81 -0.13 0.00 4.21 0.00 0.45 -4.22 121.76 120.27 1x6d s ALA 34 Ca 0.34 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1x6d s ALA 34 Cb -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1x6d s ALA 34 CO 0.28 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.34 1x6d n GLY 35 N 3.87 2.01 3.63 0.00 0.00 -1.26 0.20 105.19 113.64 1x6d n GLY 35 Ca -0.23 -2.04 -0.04 0.00 0.00 0.00 0.00 46.02 43.71 1x6d n GLY 35 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x6d s GLY 36 N 0.00 0.05 0.41 -0.02 0.00 -0.96 -3.92 107.32 102.88 1x6d s GLY 36 Ca 0.00 2.78 0.14 0.00 0.00 0.00 0.00 44.72 47.64 1x6d s GLY 36 CO 0.00 1.29 1.91 0.00 0.00 0.00 0.00 173.10 176.30 1x6d h ALA 37 N 2.49 2.06 0.00 3.20 0.00 -1.35 0.97 119.26 126.63 1x6d h ALA 37 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1x6d h ALA 37 Cb 1.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1x6d h ALA 37 CO 0.23 -0.27 -0.20 0.22 0.00 0.00 0.00 179.25 179.23 1x6d h ASP 38 N 0.47 0.00 -2.84 0.00 3.58 -1.84 -3.44 116.42 112.35 1x6d h ASP 38 Ca 0.39 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 57.38 1x6d h ASP 38 Cb 0.83 0.00 0.13 0.00 1.72 0.00 0.00 39.33 42.00 1x6d h ASP 38 CO -0.14 0.20 0.26 -0.76 -2.88 0.00 0.00 179.24 175.92 1x6d s LEU 39 N -6.68 2.85 0.36 2.28 1.02 0.34 -4.97 118.68 113.88 1x6d s LEU 39 Ca 0.01 -0.19 0.12 0.00 0.02 0.00 0.00 54.13 54.10 1x6d s LEU 39 Cb 0.10 -1.93 0.69 0.00 0.02 0.00 0.00 46.19 45.07 1x6d s LEU 39 CO 0.63 -2.38 1.81 -0.33 0.02 0.00 0.00 176.35 176.10 1x6d h GLU 40 N -1.11 0.01 -5.81 1.70 5.08 -1.86 -3.42 114.58 109.17 1x6d h GLU 40 Ca -0.39 -0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.37 1x6d h GLU 40 Cb 1.24 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 1x6d h GLU 40 CO 0.35 0.39 -0.22 0.54 -1.00 0.00 0.00 179.01 179.08 1x6d s ASN 41 N -6.93 6.68 -0.02 1.42 2.20 -1.26 -4.95 114.94 112.08 1x6d s ASN 41 Ca -0.03 0.81 0.21 0.00 -0.94 0.00 0.00 52.86 52.91 1x6d s ASN 41 Cb 0.14 -2.24 -0.30 0.00 -2.00 0.00 0.00 41.25 36.85 1x6d s ASN 41 CO 0.73 0.19 0.59 1.17 -2.94 0.00 0.00 177.10 176.84 1x6d n LYS 42 N 2.74 0.50 -3.54 3.55 3.00 -1.26 -2.26 118.16 120.88 1x6d n LYS 42 Ca -0.12 -0.14 -0.41 0.00 -0.00 0.00 0.00 58.31 57.65 1x6d n LYS 42 Cb 0.52 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 33.94 1x6d n LYS 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1x6d s VAL 43 N -3.34 5.12 -0.26 3.15 1.01 -1.26 -4.62 120.40 120.19 1x6d s VAL 43 Ca -0.03 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1x6d s VAL 43 Cb 0.14 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 1x6d s VAL 43 CO 0.88 -0.07 1.62 -0.63 0.00 0.00 0.00 175.10 176.90 1x6d s ILE 44 N 1.69 3.69 0.35 2.22 1.09 -1.26 -4.73 121.20 124.25 1x6d s ILE 44 Ca 0.05 0.77 0.07 0.00 -1.10 0.00 0.00 60.65 60.44 1x6d s ILE 44 Cb -0.18 -3.76 -0.02 0.00 -1.06 0.00 0.00 42.46 37.44 1x6d s ILE 44 CO 0.09 -0.36 0.37 0.42 -0.10 0.00 0.00 174.94 175.36 1x6d s THR 45 N 5.48 3.53 -0.56 2.92 -4.23 0.53 -1.00 115.64 122.30 1x6d s THR 45 Ca 0.71 -1.24 -0.27 0.00 -1.18 0.00 0.00 61.69 59.72 1x6d s THR 45 Cb -0.23 -3.21 -0.02 0.00 1.34 0.00 0.00 72.50 70.38 1x6d s THR 45 CO 0.30 -0.13 1.89 -0.69 -0.54 0.00 0.00 174.62 175.44 1x6d s VAL 46 N -2.29 3.35 0.08 2.29 1.01 -0.64 0.17 120.40 124.38 1x6d s VAL 46 Ca 0.44 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1x6d s VAL 46 Cb -0.07 -3.84 -0.14 0.00 0.00 0.00 0.00 36.38 32.34 1x6d s VAL 46 CO 0.28 -0.78 1.48 -0.74 0.00 0.00 0.00 175.10 175.35 1x6d h HIS 47 N 14.97 -1.28 -3.20 5.22 2.76 -1.64 0.87 115.15 132.86 1x6d h HIS 47 Ca -0.27 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 57.83 1x6d h HIS 47 Cb 1.17 0.52 -0.17 0.00 1.55 0.00 0.00 27.41 30.48 1x6d h HIS 47 CO 1.02 -0.55 -0.23 1.03 -1.30 0.00 0.00 177.93 177.91 1x6d s ARG 48 N -5.41 0.80 -0.48 5.26 3.00 -1.26 -4.65 118.95 116.21 1x6d s ARG 48 Ca -0.15 -0.42 0.02 0.00 0.00 0.00 0.00 55.73 55.19 1x6d s ARG 48 Cb 0.04 0.35 0.13 0.00 0.00 0.00 0.00 34.95 35.47 1x6d s ARG 48 CO 0.52 -0.25 0.23 0.08 0.00 0.00 0.00 175.30 175.88 1x6d s VAL 49 N -2.29 2.80 0.61 3.52 1.01 -1.26 -1.94 120.40 122.84 1x6d s VAL 49 Ca -0.07 -2.86 -0.16 0.00 0.00 0.00 0.00 61.98 58.89 1x6d s VAL 49 Cb -0.02 -2.94 -0.13 0.00 0.00 0.00 0.00 36.38 33.29 1x6d s VAL 49 CO -0.02 -0.75 -0.34 0.49 0.00 0.00 0.00 175.10 174.49 1x6d n PHE 50 N 3.64 -3.33 0.14 5.22 3.72 0.07 -4.84 117.46 122.07 1x6d n PHE 50 Ca 0.04 0.24 0.01 0.00 -0.05 0.00 0.00 57.45 57.69 1x6d n PHE 50 Cb 0.37 -1.41 0.15 0.00 -0.94 0.00 0.00 39.48 37.65 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 -0.33 0.00 -3.33 -1.08 0.13 -1.99 -3.38 132.00 122.02 1x6d h PRO 51 Ca -0.37 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.10 1x6d h PRO 51 Cb 1.23 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.97 1x6d h PRO 51 CO 0.31 0.58 -0.45 -0.80 -0.23 0.00 0.00 178.00 177.41 1x6d s ASN 52 N -6.61 4.99 0.01 1.44 -0.87 -1.26 -4.92 114.94 107.71 1x6d s ASN 52 Ca 0.00 -3.34 -0.00 0.00 -1.57 0.00 0.00 52.86 47.95 1x6d s ASN 52 Cb 0.11 -1.74 0.00 0.00 -0.02 0.00 0.00 41.25 39.60 1x6d s ASN 52 CO 0.74 -0.22 0.02 0.61 -2.57 0.00 0.00 177.10 175.68 1x6d n GLY 53 N 2.74 1.75 0.10 0.66 0.00 -1.26 -4.87 105.19 104.32 1x6d n GLY 53 Ca 0.13 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 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 1.87 -0.47 0.99 4.77 -0.81 -3.24 117.00 120.11 1x6d n LEU 54 Ca -0.00 0.44 0.41 0.00 -0.03 0.00 0.00 56.01 56.84 1x6d n LEU 54 Cb 0.01 -0.92 0.76 0.00 -2.33 0.00 0.00 43.42 40.94 1x6d n LEU 54 CO 0.01 0.17 1.37 0.00 -1.33 0.00 0.00 177.39 177.61 1x6d h ALA 55 N -0.67 3.31 0.01 -1.18 0.00 -1.86 0.75 119.26 119.61 1x6d h ALA 55 Ca -0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1x6d h ALA 55 Cb 1.20 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1x6d h ALA 55 CO -0.20 -1.76 -0.00 1.03 0.00 0.00 0.00 179.25 178.32 1x6d h SER 56 N 0.03 -0.01 -0.22 0.00 0.87 -1.80 -2.48 113.55 109.94 1x6d h SER 56 Ca 0.72 -0.82 0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1x6d h SER 56 Cb 2.79 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 64.73 1x6d h SER 56 CO -0.06 0.84 0.03 1.56 -0.53 0.00 0.00 176.83 178.67 1x6d h GLN 57 N -0.89 0.11 -0.88 2.24 4.20 0.19 -1.97 115.11 118.12 1x6d h GLN 57 Ca -0.00 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.74 1x6d h GLN 57 Cb 0.83 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.53 1x6d h GLN 57 CO 0.00 0.07 0.56 1.49 -0.67 0.00 0.00 178.83 180.29 1x6d h GLU 58 N 0.11 1.04 0.00 1.46 4.57 0.03 -3.45 114.58 118.34 1x6d h GLU 58 Ca 0.10 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1x6d h GLU 58 Cb 0.11 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1x6d h GLU 58 CO -0.14 0.69 0.00 0.41 -1.18 0.00 0.00 179.01 178.78 1x6d n GLY 59 N -1.34 1.03 0.08 1.92 0.00 -0.74 -4.85 105.19 101.29 1x6d n GLY 59 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 1.67 -1.36 2.61 2.02 -1.86 -3.40 112.91 112.59 1x6d h THR 60 Ca 0.00 -2.16 -0.61 0.00 0.77 0.00 0.00 66.41 64.41 1x6d h THR 60 Cb 0.00 3.11 -0.11 0.00 -1.74 0.00 0.00 68.15 69.42 1x6d h THR 60 CO 0.00 0.57 1.38 -0.63 0.37 0.00 0.00 175.52 177.22 1x6d s ILE 61 N -2.65 4.00 -0.13 3.11 1.01 -1.25 -4.97 121.20 120.32 1x6d s ILE 61 Ca -0.17 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 1x6d s ILE 61 Cb -0.01 -5.01 -0.04 0.00 0.01 0.00 0.00 42.46 37.40 1x6d s ILE 61 CO 0.72 -1.88 0.12 -1.10 0.00 0.00 0.00 174.94 172.80 1x6d s GLN 62 N 4.78 3.51 0.12 2.79 -0.21 -1.26 -4.66 119.66 124.73 1x6d s GLN 62 Ca 0.43 -0.18 -0.35 0.00 0.02 0.00 0.00 55.36 55.29 1x6d s GLN 62 Cb -0.01 -3.18 -0.16 0.00 1.00 0.00 0.00 33.01 30.66 1x6d s GLN 62 CO -0.08 0.69 1.29 0.36 -2.12 0.00 0.00 175.29 175.44 1x6d n LYS 63 N 2.24 1.21 0.00 2.91 2.85 -1.26 -0.07 118.16 126.05 1x6d n LYS 63 Ca -0.19 0.44 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1x6d n LYS 63 Cb 0.54 -2.04 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 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 2.38 2.22 3.68 2.58 0.00 0.30 -4.90 105.19 111.45 1x6d n GLY 64 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 0.82 -4.51 1.61 5.03 0.90 -4.59 115.26 114.52 1x6d n ASN 65 Ca 0.00 0.55 -0.43 0.00 0.87 0.00 0.00 54.58 55.58 1x6d n ASN 65 Cb 0.00 -1.49 -0.07 0.00 -1.02 0.00 0.00 39.78 37.19 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 -4.17 3.27 -1.13 3.52 2.12 -1.26 -1.61 118.70 119.43 1x6d s GLU 66 Ca 0.72 -0.46 -0.18 0.00 0.36 0.00 0.00 54.97 55.40 1x6d s GLU 66 Cb -0.28 -3.94 0.11 0.00 0.26 0.00 0.00 34.13 30.28 1x6d s GLU 66 CO 0.52 -0.92 1.46 0.08 -0.54 0.00 0.00 175.26 175.86 1x6d s VAL 67 N 2.56 4.46 0.17 3.70 1.01 -0.17 -3.83 120.40 128.30 1x6d s VAL 67 Ca 0.19 -1.77 -0.21 0.00 0.00 0.00 0.00 61.98 60.19 1x6d s VAL 67 Cb -0.15 -5.00 0.09 0.00 0.00 0.00 0.00 36.38 31.32 1x6d s VAL 67 CO 0.17 -1.78 1.61 -0.07 0.00 0.00 0.00 175.10 175.03 1x6d h LEU 68 N 11.37 -0.87 -8.47 3.92 3.38 -0.78 -3.42 115.31 120.45 1x6d h LEU 68 Ca 0.29 0.18 -0.18 0.00 0.09 0.00 0.00 57.88 58.26 1x6d h LEU 68 Cb 0.94 0.44 -0.13 0.00 0.09 0.00 0.00 40.66 42.00 1x6d h LEU 68 CO 1.32 -0.28 -0.43 -0.94 0.09 0.00 0.00 178.44 178.20 1x6d s SER 69 N -5.11 0.09 -0.24 -0.43 1.04 -1.23 -2.79 113.70 105.03 1x6d s SER 69 Ca -0.15 -1.23 -0.02 0.00 0.48 0.00 0.00 55.95 55.04 1x6d s SER 69 Cb 0.14 0.46 0.08 0.00 0.10 0.00 0.00 66.02 66.80 1x6d s SER 69 CO 0.69 -0.96 0.06 -0.63 0.98 0.00 0.00 173.24 173.39 1x6d s ILE 70 N -4.08 0.62 0.00 -1.02 -1.09 0.01 -3.34 121.20 112.28 1x6d s ILE 70 Ca 0.33 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 1x6d s ILE 70 Cb 0.04 -1.27 0.00 0.00 -1.58 0.00 0.00 42.46 39.65 1x6d s ILE 70 CO 0.11 -0.42 0.00 -3.20 -1.23 0.00 0.00 174.94 170.20 1x6d n ASN 71 N 4.99 0.00 0.00 3.58 2.85 0.28 -2.86 115.26 124.10 1x6d n ASN 71 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1x6d n ASN 71 Cb 0.45 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.47 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 1.36 3.60 8.20 0.00 -1.23 -4.69 105.19 110.42 1x6d n GLY 72 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 3.87 0.53 1.61 2.20 -1.13 -4.99 119.74 121.82 1x6d s LYS 73 Ca 0.00 0.29 -0.15 0.00 -0.36 0.00 0.00 55.97 55.75 1x6d s LYS 73 Cb 0.00 -3.74 -0.07 0.00 -1.51 0.00 0.00 37.83 32.51 1x6d s LYS 73 CO 0.00 -0.61 0.99 -1.54 -0.36 0.00 0.00 175.35 173.82 1x6d s SER 74 N 1.66 6.55 -0.58 1.43 1.04 -1.26 -0.81 113.70 121.72 1x6d s SER 74 Ca 0.26 1.53 -0.21 0.00 0.48 0.00 0.00 55.95 58.01 1x6d s SER 74 Cb -0.15 -2.50 0.07 0.00 0.10 0.00 0.00 66.02 63.55 1x6d s SER 74 CO 0.12 -0.64 0.80 -0.76 0.98 0.00 0.00 173.24 173.74 1x6d s LEU 75 N -4.28 4.76 -0.04 2.42 1.43 -1.12 -4.86 118.68 116.99 1x6d s LEU 75 Ca 0.58 -0.97 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1x6d s LEU 75 Cb -0.10 -2.47 0.27 0.00 0.03 0.00 0.00 46.19 43.92 1x6d s LEU 75 CO 0.36 -1.16 1.10 2.29 0.23 0.00 0.00 176.35 179.16 1x6d n LYS 76 N 6.87 2.00 0.00 1.70 0.00 -1.26 -4.67 118.16 122.81 1x6d n LYS 76 Ca -0.05 -1.07 0.00 0.00 -0.00 0.00 0.00 58.31 57.19 1x6d n LYS 76 Cb 0.45 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 34.01 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 0.63 1.99 3.76 2.58 0.00 -1.26 -5.11 105.19 107.77 1x6d n GLY 77 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1x6d n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6d s THR 78 N -2.00 2.13 1.09 2.61 2.01 -1.26 -4.26 115.64 115.95 1x6d s THR 78 Ca 0.00 0.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 1x6d s THR 78 Cb 0.00 -3.06 0.27 0.00 0.01 0.00 0.00 72.50 69.72 1x6d s THR 78 CO 0.00 0.01 1.07 0.35 -0.69 0.00 0.00 174.62 175.36 1x6d n THR 79 N -0.65 0.00 -0.03 -0.82 -2.24 -1.26 -1.49 114.28 107.80 1x6d n THR 79 Ca 0.08 -0.56 -0.04 0.00 -2.27 0.00 0.00 64.05 61.26 1x6d n THR 79 Cb 0.44 -1.30 0.18 0.00 -2.10 0.00 0.00 70.33 67.54 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 -2.42 0.66 0.00 4.78 2.76 -1.85 -1.91 115.15 117.17 1x6d h HIS 80 Ca -0.39 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 57.65 1x6d h HIS 80 Cb 1.15 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.94 1x6d h HIS 80 CO 0.00 0.74 -0.08 1.25 -1.30 0.00 0.00 177.93 178.54 1x6d h HIS 81 N 0.54 0.00 -1.49 5.26 -0.00 -1.92 -2.15 115.15 115.40 1x6d h HIS 81 Ca 0.09 0.00 0.43 0.00 -0.00 0.00 0.00 60.37 60.89 1x6d h HIS 81 Cb 0.61 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.96 1x6d h HIS 81 CO 0.02 0.28 1.13 -0.44 -0.00 0.00 0.00 177.93 178.93 1x6d h ASP 82 N -1.00 0.00 0.00 3.26 3.32 -1.92 0.66 116.42 120.74 1x6d h ASP 82 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1x6d h ASP 82 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1x6d h ASP 82 CO -0.01 0.00 -0.10 0.00 -1.72 0.00 0.00 179.24 177.41 1x6d h ALA 83 N 1.14 0.02 -0.51 3.45 0.00 -1.41 -2.70 119.26 119.25 1x6d h ALA 83 Ca 0.71 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 55.30 1x6d h ALA 83 Cb 2.96 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 20.71 1x6d h ALA 83 CO -0.01 0.06 -0.34 -0.07 0.00 0.00 0.00 179.25 178.89 1x6d h LEU 84 N -1.00 -1.16 0.18 0.00 4.07 0.87 0.51 115.31 118.78 1x6d h LEU 84 Ca -0.02 0.21 0.01 0.00 0.08 0.00 0.00 57.88 58.16 1x6d h LEU 84 Cb 0.74 0.56 -0.03 0.00 1.08 0.00 0.00 40.66 43.00 1x6d h LEU 84 CO -0.01 -0.32 -0.30 0.00 -1.08 0.00 0.00 178.44 176.74 1x6d h ALA 85 N 0.85 -0.54 -1.06 1.53 0.00 -0.87 0.25 119.26 119.42 1x6d h ALA 85 Ca 0.20 -0.06 0.28 0.00 0.00 0.00 0.00 54.91 55.32 1x6d h ALA 85 Cb 0.55 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1x6d h ALA 85 CO -0.62 -0.85 0.68 0.82 0.00 0.00 0.00 179.25 179.28 1x6d h ILE 86 N -0.55 0.50 -0.07 0.00 2.04 -0.76 1.43 117.51 120.09 1x6d h ILE 86 Ca 0.02 -0.12 -0.16 0.00 1.00 0.00 0.00 64.86 65.59 1x6d h ILE 86 Cb 0.55 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1x6d h ILE 86 CO -0.13 0.07 -0.65 0.25 0.00 0.00 0.00 178.15 177.68 1x6d h LEU 87 N 0.36 0.34 -0.66 1.44 7.12 0.18 -2.47 115.31 121.63 1x6d h LEU 87 Ca 0.60 -0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.40 1x6d h LEU 87 Cb 1.58 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.61 1x6d h LEU 87 CO -0.29 0.90 0.00 0.54 -0.13 0.00 0.00 178.44 179.46 1x6d n ARG 88 N -3.85 0.17 -0.03 1.25 1.74 0.47 -2.11 116.66 114.31 1x6d n ARG 88 Ca -0.03 0.41 -0.10 0.00 -0.77 0.00 0.00 57.85 57.36 1x6d n ARG 88 Cb 0.65 -1.84 -0.14 0.00 -1.02 0.00 0.00 32.46 30.12 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 -2.16 0.65 0.00 5.56 6.02 -0.33 -3.73 117.38 123.39 1x6d n GLN 89 Ca 0.02 0.27 0.09 0.00 -0.01 0.00 0.00 57.00 57.36 1x6d n GLN 89 Cb 0.21 -1.76 0.42 0.00 1.02 0.00 0.00 30.24 30.14 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 -2.63 1.91 1.03 -1.58 0.00 -0.90 -1.46 120.51 116.88 1x6d n ALA 90 Ca -0.20 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.27 1x6d n ALA 90 Cb 1.06 -1.29 0.02 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.38 0.60 -0.11 0.00 1.74 -1.16 -4.23 116.66 112.13 1x6d n ARG 91 Ca 0.07 -0.47 -0.12 0.00 -0.77 0.00 0.00 57.85 56.56 1x6d n ARG 91 Cb 0.17 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.15 0.63 0.00 5.56 4.39 -1.38 -1.07 114.58 123.86 1x6d h GLU 92 Ca 0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1x6d h GLU 92 Cb 0.61 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1x6d h GLU 92 CO 0.00 0.84 0.00 -0.35 -1.16 0.00 0.00 179.01 178.34 1x6d n PRO 93 N -4.42 -0.19 -0.01 2.33 -0.04 -1.26 -3.42 135.00 127.99 1x6d n PRO 93 Ca -0.03 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.52 1x6d n PRO 93 Cb 0.36 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.69 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 -0.99 0.65 -4.26 0.54 1.74 -1.26 -3.81 116.66 109.26 1x6d n ARG 94 Ca 0.00 -0.14 -0.22 0.00 -0.77 0.00 0.00 57.85 56.72 1x6d n ARG 94 Cb 0.00 -1.39 -0.12 0.00 -1.02 0.00 0.00 32.46 29.93 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 -3.10 1.04 -0.01 5.56 0.74 -1.26 0.12 119.66 122.75 1x6d s GLN 95 Ca -0.05 -1.09 -0.01 0.00 0.05 0.00 0.00 55.36 54.26 1x6d s GLN 95 Cb 0.11 -1.23 0.00 0.00 1.10 0.00 0.00 33.01 32.99 1x6d s GLN 95 CO 0.70 0.28 0.02 0.00 -0.55 0.00 0.00 175.29 175.74 1x6d s ALA 96 N -1.18 -0.04 -0.23 1.58 0.00 -1.03 -4.94 121.76 115.91 1x6d s ALA 96 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 1x6d s ALA 96 Cb -0.10 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.03 1x6d s ALA 96 CO 0.04 -0.02 -0.10 0.08 0.00 0.00 0.00 175.76 175.76 1x6d s VAL 97 N -0.06 2.60 -0.22 0.00 1.01 -1.26 -1.84 120.40 120.64 1x6d s VAL 97 Ca -0.01 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 1x6d s VAL 97 Cb -0.01 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1x6d s VAL 97 CO -0.00 0.24 -0.11 -0.63 0.00 0.00 0.00 175.10 174.60 1x6d s ILE 98 N 1.29 2.62 -0.31 2.22 1.09 -1.23 0.10 121.20 126.99 1x6d s ILE 98 Ca -0.00 -0.91 -0.16 0.00 -1.10 0.00 0.00 60.65 58.48 1x6d s ILE 98 Cb -0.16 -2.23 -0.02 0.00 -1.06 0.00 0.00 42.46 38.98 1x6d s ILE 98 CO -0.06 0.37 0.41 -0.69 -0.10 0.00 0.00 174.94 174.87 1x6d s VAL 99 N 1.33 5.13 0.25 2.92 1.01 -1.21 -3.23 120.40 126.60 1x6d s VAL 99 Ca 0.03 0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 1x6d s VAL 99 Cb -0.15 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1x6d s VAL 99 CO -0.08 -0.01 0.23 0.42 0.00 0.00 0.00 175.10 175.66 1x6d s THR 100 N 2.14 0.00 0.04 3.92 -4.23 -1.26 -0.11 115.64 116.14 1x6d s THR 100 Ca 0.15 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.77 1x6d s THR 100 Cb -0.16 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 1x6d s THR 100 CO 0.11 0.00 -0.07 0.00 -0.54 0.00 0.00 174.62 174.12 1x6d s ARG 101 N -3.89 0.52 -0.26 3.99 3.03 -1.25 -2.61 118.95 118.47 1x6d s ARG 101 Ca 0.37 -0.70 -0.28 0.00 2.03 0.00 0.00 55.73 57.15 1x6d s ARG 101 Cb 0.05 -0.30 -0.04 0.00 -1.03 0.00 0.00 34.95 33.63 1x6d s ARG 101 CO 0.16 0.05 2.05 0.15 -1.13 0.00 0.00 175.30 176.58 1x6d s LYS 102 N -1.44 3.21 -0.05 3.89 3.01 -1.25 -4.28 119.74 122.83 1x6d s LYS 102 Ca -0.09 1.79 -0.03 0.00 -1.01 0.00 0.00 55.97 56.62 1x6d s LYS 102 Cb -0.09 -4.30 -0.04 0.00 -1.01 0.00 0.00 37.83 32.39 1x6d s LYS 102 CO 0.00 -2.01 0.11 -0.51 0.51 0.00 0.00 175.35 173.46 1x6d s LEU 103 N 7.73 4.11 0.88 3.17 1.43 -1.26 -5.07 118.68 129.68 1x6d s LEU 103 Ca 0.92 0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 54.14 1x6d s LEU 103 Cb -0.29 -2.23 -0.15 0.00 0.03 0.00 0.00 46.19 43.56 1x6d s LEU 103 CO 0.35 0.33 -0.64 0.35 0.23 0.00 0.00 176.35 176.97 1x6d n THR 104 N 1.51 0.00 -1.54 5.49 -2.24 -1.26 -4.92 114.28 111.32 1x6d n THR 104 Ca -0.15 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.84 1x6d n THR 104 Cb 0.53 -0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.77 1.38 -0.24 -0.78 0.04 -1.26 -5.05 135.00 127.32 1x6d s PRO 105 Ca 0.44 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 1x6d s PRO 105 Cb -0.26 -1.86 0.17 0.00 0.04 0.00 0.00 34.50 32.59 1x6d s PRO 105 CO 0.79 -2.05 1.24 -1.83 0.04 0.00 0.00 177.00 175.18 1x6d s GLU 106 N -5.25 0.24 -0.29 4.56 -1.05 -1.26 -5.18 118.70 110.47 1x6d s GLU 106 Ca 0.63 0.04 -0.25 0.00 -0.15 0.00 0.00 54.97 55.24 1x6d s GLU 106 Cb -0.15 0.11 0.16 0.00 -0.44 0.00 0.00 34.13 33.82 1x6d s GLU 106 CO 0.53 -0.08 1.28 0.00 0.95 0.00 0.00 175.26 177.95 1x6d s ALA 107 N -1.22 -2.13 0.00 -0.84 0.00 -1.26 -5.06 121.76 111.26 1x6d s ALA 107 Ca 0.06 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1x6d s ALA 107 Cb -0.01 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1x6d s ALA 107 CO -0.05 -0.15 0.00 -1.33 0.00 0.00 0.00 175.76 174.23 1x6d n MET 108 N 1.82 0.00 -2.31 0.00 2.81 -1.26 -5.07 117.12 113.11 1x6d n MET 108 Ca -0.11 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.44 1x6d n MET 108 Cb 0.56 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.04 1x6d n MET 108 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1x6d s PRO 109 N 0.00 3.11 -0.10 0.03 0.04 -1.26 -4.89 135.00 131.94 1x6d s PRO 109 Ca 0.00 -0.87 -0.04 0.00 0.04 0.00 0.00 61.00 60.13 1x6d s PRO 109 Cb 0.00 -5.25 0.05 0.00 0.04 0.00 0.00 34.50 29.34 1x6d s PRO 109 CO 0.00 -2.84 0.21 0.16 0.04 0.00 0.00 177.00 174.56 1x6d s ASP 110 N 6.27 0.14 0.00 6.66 1.47 -1.26 -5.08 116.67 124.88 1x6d s ASP 110 Ca 0.58 0.44 0.00 0.00 1.18 0.00 0.00 52.55 54.76 1x6d s ASP 110 Cb -0.02 0.39 0.00 0.00 -0.34 0.00 0.00 42.92 42.95 1x6d s ASP 110 CO -0.03 -0.20 0.00 0.18 0.68 0.00 0.00 175.17 175.81 1x6d n LEU 111 N 4.73 1.16 -3.43 2.11 4.32 -1.26 -5.02 117.00 119.62 1x6d n LEU 111 Ca -0.17 0.05 -0.28 0.00 -0.02 0.00 0.00 56.01 55.60 1x6d n LEU 111 Cb 0.51 -0.10 0.02 0.00 -1.62 0.00 0.00 43.42 42.23 1x6d n LEU 111 CO 0.10 -0.10 -0.17 -3.20 -1.22 0.00 0.00 177.39 172.80 1x6d n ASN 112 N -1.27 -5.95 -3.56 -1.43 5.15 -1.26 -5.00 115.26 101.94 1x6d n ASN 112 Ca 0.00 -0.22 -0.11 0.00 -0.60 0.00 0.00 54.58 53.65 1x6d n ASN 112 Cb 0.00 -2.57 -0.04 0.00 -0.53 0.00 0.00 39.78 36.64 1x6d n ASN 112 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1x6d s SER 113 N -2.13 -0.35 0.24 1.20 1.04 -1.26 -5.18 113.70 107.27 1x6d s SER 113 Ca 0.25 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.48 1x6d s SER 113 Cb -0.03 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 1x6d s SER 113 CO 0.85 -0.89 0.08 -0.44 0.98 0.00 0.00 173.24 173.82 1x6d s SER 114 N -2.79 1.24 -0.05 7.02 0.01 -1.26 -5.16 113.70 112.72 1x6d s SER 114 Ca 0.02 -1.34 -0.01 0.00 1.31 0.00 0.00 55.95 55.93 1x6d s SER 114 Cb 0.01 0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.41 1x6d s SER 114 CO -0.12 -0.69 0.03 -0.83 0.41 0.00 0.00 173.24 172.03 1x6d s GLY 115 N -3.29 0.31 1.12 3.44 0.00 -1.26 -5.15 107.32 102.49 1x6d s GLY 115 Ca 0.35 0.07 -0.19 0.00 0.00 0.00 0.00 44.72 44.95 1x6d s GLY 115 CO 0.12 1.14 1.24 2.56 0.00 0.00 0.00 173.10 178.16 1x6d s PRO 116 N 1.87 -0.58 0.05 2.90 0.04 -1.26 -5.10 135.00 132.92 1x6d s PRO 116 Ca 0.02 -0.36 -0.27 0.00 0.04 0.00 0.00 61.00 60.43 1x6d s PRO 116 Cb -0.12 -1.70 0.08 0.00 0.04 0.00 0.00 34.50 32.80 1x6d s PRO 116 CO -0.04 -3.24 0.71 0.45 0.04 0.00 0.00 177.00 174.92 1x6d s SER 117 N -4.49 -0.54 0.05 6.66 0.15 -1.26 -5.17 113.70 109.10 1x6d s SER 117 Ca 0.74 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1x6d s SER 117 Cb -0.05 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.74 1x6d s SER 117 CO 0.55 -0.77 0.16 -0.44 1.20 0.00 0.00 173.24 173.94 1x6d s SER 118 N -2.20 6.08 0.00 5.45 0.01 -1.26 -5.38 113.70 116.40 1x6d s SER 118 Ca -0.01 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1x6d s SER 118 Cb -0.01 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.41 1x6d s SER 118 CO -0.06 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.40