#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1slj n SER 31 N 0.00 1.32 -1.24 1.61 3.41 -1.26 -4.76 113.62 112.70 1slj n SER 31 Ca 0.00 -1.60 -0.01 0.00 -0.26 0.00 0.00 58.87 57.00 1slj n SER 31 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1slj n SER 31 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1slj n HIS 32 N -0.30 0.13 -0.74 7.33 -0.00 -1.26 -1.88 115.22 118.50 1slj n HIS 32 Ca 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 57.72 56.96 1slj n HIS 32 Cb 0.28 -0.38 0.00 0.00 -0.00 0.00 0.00 29.99 29.88 1slj n HIS 32 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1slj n MET 33 N 0.82 0.70 0.02 -0.41 0.00 -1.26 -4.83 117.12 112.16 1slj n MET 33 Ca 0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 57.70 56.99 1slj n MET 33 Cb 0.53 -0.63 -0.01 0.00 0.00 0.00 0.00 33.22 33.12 1slj n MET 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1slj n LEU 34 N -0.12 1.25 -3.73 4.03 4.77 -0.79 -4.74 117.00 117.67 1slj n LEU 34 Ca 0.00 0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.87 1slj n LEU 34 Cb 0.42 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1slj n LEU 34 CO 0.00 -0.63 0.04 -0.62 -1.33 0.00 0.00 177.39 174.85 1slj n GLU 35 N -3.68 -4.49 0.00 3.23 4.71 -1.24 -4.40 120.64 114.77 1slj n GLU 35 Ca -0.03 0.55 0.00 0.00 -0.01 0.00 0.00 57.16 57.67 1slj n GLU 35 Cb 0.13 -5.36 0.00 0.00 -1.01 0.00 0.00 31.44 25.19 1slj n GLU 35 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1slj n GLN 36 N -4.31 0.00 -0.04 3.49 6.02 -1.26 -0.47 117.38 120.81 1slj n GLN 36 Ca 0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.13 1slj n GLN 36 Cb 0.53 0.00 0.16 0.00 1.02 0.00 0.00 30.24 31.96 1slj n GLN 36 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1slj n LYS 37 N 11.31 2.30 -2.94 -1.09 5.02 -1.26 -4.93 118.16 126.56 1slj n LYS 37 Ca 0.00 -1.90 -0.31 0.00 -2.02 0.00 0.00 58.31 54.08 1slj n LYS 37 Cb 0.00 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.50 1slj n LYS 37 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1slj s LYS 38 N -1.90 3.86 0.88 1.97 2.20 0.38 -5.07 119.74 122.07 1slj s LYS 38 Ca 0.31 0.55 -0.12 0.00 -0.36 0.00 0.00 55.97 56.35 1slj s LYS 38 Cb 0.21 -2.40 0.12 0.00 -1.51 0.00 0.00 37.83 34.25 1slj s LYS 38 CO 0.31 0.03 1.12 0.00 -0.36 0.00 0.00 175.35 176.44 1slj s ALA 39 N -2.24 1.85 -0.27 3.13 0.00 -1.26 -4.34 121.76 118.63 1slj s ALA 39 Ca 0.52 -0.38 -0.39 0.00 0.00 0.00 0.00 51.96 51.71 1slj s ALA 39 Cb -0.10 -3.07 -0.15 0.00 0.00 0.00 0.00 23.12 19.80 1slj s ALA 39 CO 0.26 -2.15 1.82 -1.71 0.00 0.00 0.00 175.76 173.99 1slj n ASN 40 N -3.69 2.47 -4.77 0.00 4.05 -1.26 -4.77 115.26 107.29 1slj n ASN 40 Ca 0.07 0.98 -0.40 0.00 0.45 0.00 0.00 54.58 55.68 1slj n ASN 40 Cb 0.58 -1.18 -0.06 0.00 1.23 0.00 0.00 39.78 40.36 1slj n ASN 40 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1slj s ILE 41 N 4.09 4.42 -0.21 -1.44 1.10 -1.26 -4.23 121.20 123.67 1slj s ILE 41 Ca 0.99 1.74 -0.02 0.00 -0.51 0.00 0.00 60.65 62.85 1slj s ILE 41 Cb -1.01 -4.16 0.01 0.00 0.15 0.00 0.00 42.46 37.45 1slj s ILE 41 CO 0.62 0.48 -0.09 -0.31 -2.11 0.00 0.00 174.94 173.53 1slj s TYR 42 N -0.88 2.93 -0.59 3.50 2.02 0.22 -4.93 117.35 119.62 1slj s TYR 42 Ca 0.37 -1.29 -0.22 0.00 -0.37 0.00 0.00 57.07 55.56 1slj s TYR 42 Cb -0.23 -2.04 0.06 0.00 -0.40 0.00 0.00 41.96 39.36 1slj s TYR 42 CO 0.26 -0.67 0.86 0.15 -1.57 0.00 0.00 175.55 174.58 1slj s LYS 43 N 1.39 3.16 0.11 -0.62 -0.14 -1.26 -2.72 119.74 119.66 1slj s LYS 43 Ca 0.04 -0.75 -0.01 0.00 -1.36 0.00 0.00 55.97 53.89 1slj s LYS 43 Cb -0.14 -4.16 -0.04 0.00 -1.68 0.00 0.00 37.83 31.81 1slj s LYS 43 CO -0.06 -1.58 0.04 0.20 -0.76 0.00 0.00 175.35 173.19 1slj s GLY 44 N 3.25 0.82 0.30 -3.33 0.00 -1.19 -4.87 107.32 102.31 1slj s GLY 44 Ca 0.22 -1.38 0.11 0.00 0.00 0.00 0.00 44.72 43.67 1slj s GLY 44 CO 0.12 -1.33 -0.11 0.54 0.00 0.00 0.00 173.10 172.33 1slj s LYS 45 N -4.01 1.88 0.50 2.90 3.01 -1.22 -0.22 119.74 122.58 1slj s LYS 45 Ca 0.19 -1.75 -0.23 0.00 -1.01 0.00 0.00 55.97 53.18 1slj s LYS 45 Cb 0.07 -1.85 -0.06 0.00 -1.01 0.00 0.00 37.83 34.98 1slj s LYS 45 CO -0.02 0.26 1.27 0.42 0.51 0.00 0.00 175.35 177.79 1slj s ILE 46 N -2.50 2.57 0.00 2.17 1.09 -0.87 -0.00 121.20 123.66 1slj s ILE 46 Ca 0.32 0.44 0.00 0.00 -1.10 0.00 0.00 60.65 60.30 1slj s ILE 46 Cb -0.03 -3.22 0.00 0.00 -1.06 0.00 0.00 42.46 38.15 1slj s ILE 46 CO 0.17 0.00 0.00 0.35 -0.10 0.00 0.00 174.94 175.36 1slj n THR 47 N -0.70 0.00 -3.73 2.92 -2.24 0.99 -1.89 114.28 109.63 1slj n THR 47 Ca 0.08 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.70 1slj n THR 47 Cb 0.46 -0.50 -0.17 0.00 -2.10 0.00 0.00 70.33 68.03 1slj n THR 47 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1slj s ARG 48 N -1.55 -0.05 -0.08 -0.78 3.52 -1.20 -4.83 118.95 113.98 1slj s ARG 48 Ca 0.00 0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.87 1slj s ARG 48 Cb 0.00 -0.34 0.03 0.00 -1.56 0.00 0.00 34.95 33.08 1slj s ARG 48 CO 0.00 -0.23 -0.02 0.42 -0.81 0.00 0.00 175.30 174.66 1slj s ILE 49 N 1.51 0.56 -0.31 4.11 1.01 -1.26 0.06 121.20 126.89 1slj s ILE 49 Ca -0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.57 1slj s ILE 49 Cb -0.13 -0.68 0.04 0.00 0.01 0.00 0.00 42.46 41.70 1slj s ILE 49 CO -0.03 0.29 0.04 -0.70 0.00 0.00 0.00 174.94 174.54 1slj s GLU 50 N 1.86 2.64 0.59 2.79 2.56 -1.15 -4.96 118.70 123.03 1slj s GLU 50 Ca 0.04 -1.15 0.29 0.00 0.00 0.00 0.00 54.97 54.15 1slj s GLU 50 Cb -0.12 -3.29 1.54 0.00 2.00 0.00 0.00 34.13 34.26 1slj s GLU 50 CO -0.06 -0.59 1.97 -1.35 -0.56 0.00 0.00 175.26 174.67 1slj h PRO 51 N 8.12 0.00 0.00 4.30 0.11 -1.97 -0.09 132.00 142.47 1slj h PRO 51 Ca -0.25 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 1slj h PRO 51 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1slj h PRO 51 CO 0.57 0.00 -0.17 0.77 -0.21 0.00 0.00 178.00 178.96 1slj h SER 52 N 0.00 0.00 0.00 -2.05 0.02 -1.97 -3.29 113.55 106.26 1slj h SER 52 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1slj h SER 52 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1slj h SER 52 CO -0.00 0.17 0.00 0.00 -1.14 0.00 0.00 176.83 175.86 1slj n LEU 53 N -3.25 1.42 -3.94 5.07 -0.00 -0.11 -5.03 117.00 111.15 1slj n LEU 53 Ca 0.01 -1.42 -0.25 0.00 -0.00 0.00 0.00 56.01 54.35 1slj n LEU 53 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.86 1slj n LEU 53 CO 0.33 0.35 -0.22 -1.84 -0.00 0.00 0.00 177.39 176.01 1slj n GLU 54 N -0.30 -3.39 -3.54 1.47 0.28 -0.79 -4.87 120.64 109.49 1slj n GLU 54 Ca 0.00 0.42 -0.10 0.00 -0.16 0.00 0.00 57.16 57.31 1slj n GLU 54 Cb 0.23 -4.58 -0.02 0.00 1.43 0.00 0.00 31.44 28.51 1slj n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1slj s ALA 55 N -3.93 -1.54 -0.02 -1.84 0.00 -1.25 0.41 121.76 113.59 1slj s ALA 55 Ca 0.02 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1slj s ALA 55 Cb -0.01 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 1slj s ALA 55 CO 0.88 -0.83 -0.11 0.00 0.00 0.00 0.00 175.76 175.70 1slj s ALA 56 N -3.71 0.96 0.01 0.00 0.00 -0.06 -2.94 121.76 116.02 1slj s ALA 56 Ca 0.04 -0.45 -0.20 0.00 0.00 0.00 0.00 51.96 51.36 1slj s ALA 56 Cb -0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 1slj s ALA 56 CO -0.07 0.20 0.57 -0.06 0.00 0.00 0.00 175.76 176.39 1slj s PHE 57 N -0.07 3.70 -0.06 0.00 0.08 0.11 -0.58 117.98 121.16 1slj s PHE 57 Ca 0.01 1.18 0.02 0.00 0.12 0.00 0.00 56.93 58.27 1slj s PHE 57 Cb -0.06 -2.56 -0.03 0.00 -0.57 0.00 0.00 43.02 39.80 1slj s PHE 57 CO 0.00 0.42 -0.11 0.08 -0.10 0.00 0.00 175.22 175.50 1slj s VAL 58 N -0.42 3.30 -0.48 -0.44 1.01 0.12 -0.01 120.40 123.49 1slj s VAL 58 Ca 0.30 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 1slj s VAL 58 Cb -0.18 -2.32 0.10 0.00 0.00 0.00 0.00 36.38 33.98 1slj s VAL 58 CO 0.17 0.59 0.38 -0.62 0.00 0.00 0.00 175.10 175.62 1slj s ASP 59 N -0.71 5.94 -0.53 3.32 -1.08 1.00 -2.44 116.67 122.17 1slj s ASP 59 Ca 0.11 -1.65 0.07 0.00 -0.52 0.00 0.00 52.55 50.56 1slj s ASP 59 Cb -0.11 -2.11 0.27 0.00 -1.46 0.00 0.00 42.92 39.52 1slj s ASP 59 CO 0.01 -0.70 0.71 0.00 0.52 0.00 0.00 175.17 175.71 1slj n TYR 60 N 5.08 2.15 -4.21 -5.34 4.11 -1.26 -3.38 117.16 114.31 1slj n TYR 60 Ca -0.11 -3.92 -0.35 0.00 -0.00 0.00 0.00 57.90 53.52 1slj n TYR 60 Cb 0.42 -0.47 -0.03 0.00 -0.00 0.00 0.00 39.34 39.25 1slj n TYR 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1slj n GLY 61 N 0.78 -0.39 3.95 -7.48 0.00 -1.26 -4.93 105.19 95.86 1slj n GLY 61 Ca 0.27 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 1slj n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1slj s ALA 62 N -3.45 3.89 -0.14 4.61 0.00 -1.26 -5.03 121.76 120.38 1slj s ALA 62 Ca 0.60 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 1slj s ALA 62 Cb -0.33 -1.68 -0.24 0.00 0.00 0.00 0.00 23.12 20.87 1slj s ALA 62 CO 0.93 0.24 0.42 1.49 0.00 0.00 0.00 175.76 178.84 1slj h GLU 63 N 1.21 0.15 -3.57 0.00 4.81 -1.97 -3.43 114.58 111.79 1slj h GLU 63 Ca -0.52 -0.26 -0.62 0.00 -0.13 0.00 0.00 59.36 57.83 1slj h GLU 63 Cb 1.23 0.10 -0.40 0.00 0.63 0.00 0.00 28.75 30.31 1slj h GLU 63 CO 0.61 1.13 -0.71 1.03 -0.73 0.00 0.00 179.01 180.33 1slj s ARG 64 N -2.44 1.38 0.02 1.92 0.52 -1.26 -5.08 118.95 114.01 1slj s ARG 64 Ca -0.23 -1.94 -0.31 0.00 -0.52 0.00 0.00 55.73 52.73 1slj s ARG 64 Cb 0.05 -2.69 -0.16 0.00 0.52 0.00 0.00 34.95 32.67 1slj s ARG 64 CO 0.70 -1.07 0.80 0.72 0.02 0.00 0.00 175.30 176.48 1slj n HIS 65 N 3.85 0.40 -1.79 -0.53 8.25 -1.26 -2.72 115.22 121.42 1slj n HIS 65 Ca 0.05 0.83 -0.42 0.00 -0.26 0.00 0.00 57.72 57.92 1slj n HIS 65 Cb 0.37 -1.65 -0.03 0.00 1.12 0.00 0.00 29.99 29.80 1slj n HIS 65 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1slj s GLY 66 N -0.10 1.37 -0.55 -1.41 0.00 -1.02 -4.36 107.32 101.24 1slj s GLY 66 Ca 0.70 1.10 -0.11 0.00 0.00 0.00 0.00 44.72 46.41 1slj s GLY 66 CO 0.45 3.35 0.45 -0.12 0.00 0.00 0.00 173.10 177.23 1slj s PHE 67 N 4.78 3.43 -0.22 1.90 5.36 -0.11 0.11 117.98 133.24 1slj s PHE 67 Ca 0.84 -1.83 -0.24 0.00 -0.96 0.00 0.00 56.93 54.74 1slj s PHE 67 Cb -0.38 -3.59 -0.01 0.00 -0.34 0.00 0.00 43.02 38.70 1slj s PHE 67 CO 0.37 -0.99 0.80 -1.17 -1.46 0.00 0.00 175.22 172.77 1slj s LEU 68 N 1.12 4.11 0.38 6.12 0.20 0.25 -4.27 118.68 126.59 1slj s LEU 68 Ca 0.08 1.04 -0.26 0.00 0.69 0.00 0.00 54.13 55.67 1slj s LEU 68 Cb -0.24 -3.16 -0.09 0.00 -0.43 0.00 0.00 46.19 42.27 1slj s LEU 68 CO -0.01 -0.46 1.20 -2.84 -0.29 0.00 0.00 176.35 173.95 1slj s PRO 69 N 2.57 4.15 0.27 0.98 0.02 -1.26 -0.89 135.00 140.84 1slj s PRO 69 Ca 0.35 1.94 -0.04 0.00 0.02 0.00 0.00 61.00 63.27 1slj s PRO 69 Cb -0.16 -2.80 0.33 0.00 0.02 0.00 0.00 34.50 31.89 1slj s PRO 69 CO 0.09 -0.27 1.91 1.25 -0.33 0.00 0.00 177.00 179.65 1slj h LEU 70 N 2.88 1.04 -0.80 -5.54 5.85 -0.38 -1.55 115.31 116.82 1slj h LEU 70 Ca -0.49 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1slj h LEU 70 Cb 1.23 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1slj h LEU 70 CO 0.63 0.80 0.00 2.29 -0.34 0.00 0.00 178.44 181.82 1slj n LYS 71 N -4.37 0.11 0.01 1.25 2.85 -1.26 -0.80 118.16 115.96 1slj n LYS 71 Ca 0.10 0.50 0.11 0.00 -1.05 0.00 0.00 58.31 57.97 1slj n LYS 71 Cb 0.06 -1.80 -0.01 0.00 -0.65 0.00 0.00 35.03 32.63 1slj n LYS 71 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1slj n GLU 72 N -2.03 0.20 -1.73 -1.58 -0.58 -0.59 -5.00 120.64 109.33 1slj n GLU 72 Ca 0.00 -0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.30 1slj n GLU 72 Cb 0.10 -1.54 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 1slj n GLU 72 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1slj n ILE 73 N -1.78 1.70 -3.99 -3.67 5.41 0.02 -4.72 119.36 112.32 1slj n ILE 73 Ca 0.02 -0.42 -0.27 0.00 1.00 0.00 0.00 62.75 63.08 1slj n ILE 73 Cb 0.40 -1.79 -0.04 0.00 -0.71 0.00 0.00 39.64 37.50 1slj n ILE 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1slj s ALA 74 N -0.78 3.82 -0.09 -1.39 0.00 -1.26 -4.93 121.76 117.12 1slj s ALA 74 Ca 0.58 -1.05 0.16 0.00 0.00 0.00 0.00 51.96 51.65 1slj s ALA 74 Cb -0.53 -1.63 0.88 0.00 0.00 0.00 0.00 23.12 21.84 1slj s ALA 74 CO 0.59 0.60 1.43 -2.13 0.00 0.00 0.00 175.76 176.25 1slj n ARG 75 N -0.23 0.11 0.32 0.00 0.63 -1.26 -0.92 116.66 115.30 1slj n ARG 75 Ca -0.07 0.59 0.21 0.00 -0.92 0.00 0.00 57.85 57.66 1slj n ARG 75 Cb 0.53 -2.02 1.09 0.00 0.45 0.00 0.00 32.46 32.51 1slj n ARG 75 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1slj h GLU 76 N 0.00 0.00 0.05 -0.14 4.57 -1.86 -3.02 114.58 114.18 1slj h GLU 76 Ca 0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 1slj h GLU 76 Cb 0.35 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 1slj h GLU 76 CO 0.00 0.00 -1.89 0.66 -1.18 0.00 0.00 179.01 176.60 1slj n TYR 77 N -3.04 0.86 -3.27 0.92 4.01 -0.10 -4.50 117.16 112.05 1slj n TYR 77 Ca -0.02 0.26 -0.46 0.00 -0.16 0.00 0.00 57.90 57.51 1slj n TYR 77 Cb 0.11 -1.10 -0.04 0.00 -0.31 0.00 0.00 39.34 38.00 1slj n TYR 77 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1slj s PHE 78 N -2.48 3.39 0.18 -0.72 -0.71 -1.15 -4.69 117.98 111.80 1slj s PHE 78 Ca -0.28 -1.50 -0.26 0.00 -1.04 0.00 0.00 56.93 53.85 1slj s PHE 78 Cb 0.08 -3.86 -0.16 0.00 -1.21 0.00 0.00 43.02 37.87 1slj s PHE 78 CO 0.65 -1.07 0.48 -0.35 -1.34 0.00 0.00 175.22 173.59 1slj n PRO 79 N 5.02 0.00 0.07 1.99 -0.04 -1.20 -4.64 135.00 136.19 1slj n PRO 79 Ca -0.01 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.48 1slj n PRO 79 Cb 0.43 -0.93 0.18 0.00 -0.04 0.00 0.00 33.50 33.15 1slj n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1slj n ALA 80 N 0.00 0.79 0.18 0.55 0.00 -1.21 0.78 120.51 121.61 1slj n ALA 80 Ca 0.17 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.77 1slj n ALA 80 Cb 0.23 -0.88 0.10 0.00 0.00 0.00 0.00 19.45 18.91 1slj n ALA 80 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1slj h ASN 81 N 0.00 0.00 -3.95 0.00 -1.24 -1.91 -3.46 115.58 105.01 1slj h ASN 81 Ca 0.00 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.54 1slj h ASN 81 Cb 0.27 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 1slj h ASN 81 CO 0.00 0.11 0.37 -0.47 -1.29 0.00 0.00 177.43 176.15 1slj s TYR 82 N -3.18 3.45 -0.56 0.67 5.04 0.23 -4.99 117.35 118.02 1slj s TYR 82 Ca 0.05 1.70 -0.27 0.00 -2.44 0.00 0.00 57.07 56.10 1slj s TYR 82 Cb 0.06 -2.98 0.03 0.00 0.35 0.00 0.00 41.96 39.42 1slj s TYR 82 CO 0.71 -0.17 1.11 -1.54 -1.34 0.00 0.00 175.55 174.32 1slj s SER 83 N -1.71 6.43 -0.02 4.32 1.04 -1.26 -4.95 113.70 117.55 1slj s SER 83 Ca 0.55 0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.82 1slj s SER 83 Cb -0.18 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.37 1slj s SER 83 CO 0.23 -1.38 0.47 0.00 0.98 0.00 0.00 173.24 173.54 1slj s ALA 84 N 4.59 3.59 -0.21 5.32 0.00 -1.26 -4.99 121.76 128.81 1slj s ALA 84 Ca 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.19 1slj s ALA 84 Cb -0.09 -2.54 -0.20 0.00 0.00 0.00 0.00 23.12 20.29 1slj s ALA 84 CO 0.24 0.29 -0.02 1.58 0.00 0.00 0.00 175.76 177.86 1slj n HIS 85 N 2.45 0.46 0.00 0.00 -0.00 -1.26 -5.05 115.22 111.82 1slj n HIS 85 Ca -0.11 0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1slj n HIS 85 Cb 0.52 -1.06 0.00 0.00 -0.12 0.00 0.00 29.99 29.33 1slj n HIS 85 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1slj n GLY 86 N 2.11 -1.60 3.71 1.57 0.00 -1.26 -5.12 105.19 104.60 1slj n GLY 86 Ca -0.41 0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1slj n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1slj s ARG 87 N 0.00 4.20 1.05 1.61 0.52 -1.26 -5.08 118.95 119.99 1slj s ARG 87 Ca 0.00 0.01 -0.12 0.00 -0.52 0.00 0.00 55.73 55.10 1slj s ARG 87 Cb 0.00 -3.46 0.22 0.00 0.52 0.00 0.00 34.95 32.23 1slj s ARG 87 CO 0.00 0.17 1.08 -1.25 0.02 0.00 0.00 175.30 175.32 1slj s PRO 88 N 0.70 0.00 -0.37 3.54 0.04 -1.26 -5.03 135.00 132.62 1slj s PRO 88 Ca 0.14 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.31 1slj s PRO 88 Cb -0.13 -1.64 0.11 0.00 0.04 0.00 0.00 34.50 32.87 1slj s PRO 88 CO 0.04 -3.18 0.09 0.54 0.04 0.00 0.00 177.00 174.53 1slj s ASN 89 N -2.67 4.65 0.29 6.66 4.22 -1.26 -4.93 114.94 121.91 1slj s ASN 89 Ca 0.67 -2.28 0.03 0.00 -2.14 0.00 0.00 52.86 49.14 1slj s ASN 89 Cb -0.23 -1.59 0.61 0.00 1.28 0.00 0.00 41.25 41.31 1slj s ASN 89 CO 0.61 -0.36 1.83 -0.29 -2.04 0.00 0.00 177.10 176.86 1slj h ILE 90 N 6.41 0.88 -0.08 0.54 2.10 -1.93 0.57 117.51 126.00 1slj h ILE 90 Ca -0.05 -0.32 0.02 0.00 1.08 0.00 0.00 64.86 65.59 1slj h ILE 90 Cb 1.00 -0.14 -0.00 0.00 -1.09 0.00 0.00 36.82 36.59 1slj h ILE 90 CO 0.54 0.17 0.23 0.07 -1.08 0.00 0.00 178.15 178.09 1slj h LYS 91 N 0.93 0.00 0.00 2.19 2.10 -1.93 0.31 116.57 120.17 1slj h LYS 91 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 1slj h LYS 91 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1slj h LYS 91 CO -0.28 0.00 -0.13 -3.47 -2.00 0.00 0.00 179.45 173.57 1slj n ASP 92 N -3.21 1.62 -0.06 7.07 2.03 0.14 -4.75 116.55 119.38 1slj n ASP 92 Ca -0.01 -2.63 -0.13 0.00 0.52 0.00 0.00 54.79 52.55 1slj n ASP 92 Cb 0.31 -0.31 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1slj n ASP 92 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1slj n VAL 93 N -0.92 0.67 -4.00 5.18 0.31 -0.06 -4.98 118.33 114.52 1slj n VAL 93 Ca 0.10 -0.17 -0.30 0.00 -0.01 0.00 0.00 64.34 63.96 1slj n VAL 93 Cb 0.61 -1.67 -0.05 0.00 -0.91 0.00 0.00 33.84 31.83 1slj n VAL 93 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1slj s LEU 94 N -6.66 4.05 -0.03 7.52 1.43 -0.27 -4.44 118.68 120.29 1slj s LEU 94 Ca -0.17 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 1slj s LEU 94 Cb 0.06 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.62 1slj s LEU 94 CO 0.21 0.15 0.25 0.00 0.23 0.00 0.00 176.35 177.20 1slj s ARG 95 N -2.57 0.54 0.04 1.70 3.03 -1.26 -4.74 118.95 115.70 1slj s ARG 95 Ca 0.32 -0.14 -0.32 0.00 2.03 0.00 0.00 55.73 57.63 1slj s ARG 95 Cb -0.12 0.24 -0.11 0.00 -1.03 0.00 0.00 34.95 33.93 1slj s ARG 95 CO 0.25 -0.13 1.88 0.39 -1.13 0.00 0.00 175.30 176.55 1slj n GLU 96 N 1.66 2.62 0.00 3.89 4.71 -1.26 -0.72 120.64 131.55 1slj n GLU 96 Ca -0.20 0.96 0.00 0.00 -0.01 0.00 0.00 57.16 57.91 1slj n GLU 96 Cb 0.56 -2.85 0.00 0.00 -1.01 0.00 0.00 31.44 28.14 1slj n GLU 96 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1slj n GLY 97 N 4.33 2.37 3.66 0.62 0.00 -0.79 -4.92 105.19 110.46 1slj n GLY 97 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1slj n GLY 97 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1slj s GLN 98 N -0.38 4.24 0.59 1.61 0.74 0.11 -4.83 119.66 121.74 1slj s GLN 98 Ca 0.00 1.11 -0.15 0.00 0.05 0.00 0.00 55.36 56.36 1slj s GLN 98 Cb 0.00 -3.62 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 1slj s GLN 98 CO 0.00 -0.50 1.04 -1.83 -0.55 0.00 0.00 175.29 173.45 1slj s GLU 99 N 2.77 3.43 0.06 1.67 -1.05 -1.26 -2.04 118.70 122.27 1slj s GLU 99 Ca 0.39 1.12 0.04 0.00 -0.15 0.00 0.00 54.97 56.37 1slj s GLU 99 Cb -0.16 -2.05 -0.03 0.00 -0.44 0.00 0.00 34.13 31.45 1slj s GLU 99 CO 0.08 -0.72 -0.13 0.14 0.95 0.00 0.00 175.26 175.59 1slj s VAL 100 N -2.56 0.98 -0.45 1.83 -7.23 0.69 -4.94 120.40 108.73 1slj s VAL 100 Ca 0.62 -1.25 -0.16 0.00 -1.81 0.00 0.00 61.98 59.38 1slj s VAL 100 Cb -0.14 -0.96 0.05 0.00 0.56 0.00 0.00 36.38 35.88 1slj s VAL 100 CO 0.38 -0.26 0.39 -0.63 -0.31 0.00 0.00 175.10 174.67 1slj s ILE 101 N -1.29 5.19 -0.08 -0.62 -1.09 -1.26 -3.15 121.20 118.89 1slj s ILE 101 Ca -0.04 -0.77 -0.06 0.00 -2.23 0.00 0.00 60.65 57.55 1slj s ILE 101 Cb -0.10 -4.07 0.03 0.00 -1.58 0.00 0.00 42.46 36.74 1slj s ILE 101 CO 0.02 -0.49 0.21 0.68 -1.23 0.00 0.00 174.94 174.12 1slj s VAL 102 N 1.82 -0.02 -0.13 2.92 -7.23 -1.10 -4.84 120.40 111.82 1slj s VAL 102 Ca 0.07 0.08 -0.10 0.00 -1.81 0.00 0.00 61.98 60.22 1slj s VAL 102 Cb -0.21 -0.31 -0.05 0.00 0.56 0.00 0.00 36.38 36.38 1slj s VAL 102 CO 0.09 0.03 0.19 0.00 -0.31 0.00 0.00 175.10 175.10 1slj s GLN 103 N 0.66 3.81 -0.74 4.82 -2.07 -1.25 0.69 119.66 125.58 1slj s GLN 103 Ca -0.05 -0.06 -0.26 0.00 -1.82 0.00 0.00 55.36 53.17 1slj s GLN 103 Cb -0.06 -3.29 0.04 0.00 -1.09 0.00 0.00 33.01 28.61 1slj s GLN 103 CO -0.04 0.56 1.25 0.42 -1.32 0.00 0.00 175.29 176.17 1slj s ILE 104 N -0.44 3.80 0.35 3.63 -1.09 -1.26 -1.14 121.20 125.04 1slj s ILE 104 Ca 0.14 0.27 0.19 0.00 -2.23 0.00 0.00 60.65 59.02 1slj s ILE 104 Cb -0.12 -4.90 0.17 0.00 -1.58 0.00 0.00 42.46 36.03 1slj s ILE 104 CO 0.03 -1.82 1.90 -0.78 -1.23 0.00 0.00 174.94 173.04 1slj h ASP 105 N 9.96 0.00 -3.54 3.58 3.58 -1.89 -3.45 116.42 124.66 1slj h ASP 105 Ca -0.26 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.13 1slj h ASP 105 Cb 1.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 1slj h ASP 105 CO 1.27 0.28 -0.04 0.29 -2.88 0.00 0.00 179.24 178.16 1slj n LYS 106 N -3.85 1.58 -4.37 0.28 5.02 -1.26 -5.07 118.16 110.49 1slj n LYS 106 Ca -0.02 -0.35 -0.20 0.00 -2.02 0.00 0.00 58.31 55.72 1slj n LYS 106 Cb 0.36 0.06 -0.13 0.00 -0.02 0.00 0.00 35.03 35.30 1slj n LYS 106 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1slj s GLU 107 N -2.21 0.97 -0.49 1.97 0.41 -1.26 -4.65 118.70 113.44 1slj s GLU 107 Ca 0.02 -0.78 -0.27 0.00 -0.41 0.00 0.00 54.97 53.53 1slj s GLU 107 Cb -0.00 -0.99 -0.05 0.00 -1.78 0.00 0.00 34.13 31.31 1slj s GLU 107 CO 0.01 0.24 2.15 -1.21 -0.49 0.00 0.00 175.26 175.97 1slj s GLU 108 N -1.16 2.48 0.04 1.61 2.02 -1.18 -4.39 118.70 118.13 1slj s GLU 108 Ca 0.02 1.20 -0.03 0.00 0.02 0.00 0.00 54.97 56.18 1slj s GLU 108 Cb -0.08 -4.46 -0.01 0.00 0.10 0.00 0.00 34.13 29.68 1slj s GLU 108 CO 0.01 -2.86 -0.05 2.89 0.02 0.00 0.00 175.26 175.27 1slj n ARG 109 N 8.99 0.08 0.04 1.61 1.85 -1.26 -4.91 116.66 123.06 1slj n ARG 109 Ca 0.29 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 57.17 1slj n ARG 109 Cb 0.52 -0.57 0.00 0.00 -1.05 0.00 0.00 32.46 31.36 1slj n ARG 109 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1slj n GLY 110 N 3.14 -1.75 0.14 2.89 0.00 -1.26 -4.92 105.19 103.43 1slj n GLY 110 Ca -0.02 0.60 -0.10 0.00 0.00 0.00 0.00 46.02 46.50 1slj n GLY 110 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1slj h ASN 111 N 0.00 0.34 0.00 1.61 2.35 -1.99 -3.37 115.58 114.53 1slj h ASN 111 Ca 0.00 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 1slj h ASN 111 Cb 0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1slj h ASN 111 CO 0.00 0.40 -1.28 1.17 -1.65 0.00 0.00 177.43 176.07 1slj n LYS 112 N -4.79 1.04 0.00 0.81 4.81 -1.26 -5.09 118.16 113.67 1slj n LYS 112 Ca -0.03 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1slj n LYS 112 Cb 0.12 -1.10 0.00 0.00 0.02 0.00 0.00 35.03 34.07 1slj n LYS 112 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1slj n GLY 113 N 3.12 1.72 3.70 3.14 0.00 -1.26 -4.78 105.19 110.83 1slj n GLY 113 Ca -0.08 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1slj n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1slj s ALA 114 N -2.00 3.35 -0.13 4.61 0.00 -1.10 -3.08 121.76 123.40 1slj s ALA 114 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1slj s ALA 114 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1slj s ALA 114 CO 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 175.76 175.20 1slj s ALA 115 N 1.42 2.33 -0.12 0.00 0.00 -1.26 -0.93 121.76 123.19 1slj s ALA 115 Ca 0.43 -1.03 -0.19 0.00 0.00 0.00 0.00 51.96 51.17 1slj s ALA 115 Cb -0.18 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1slj s ALA 115 CO 0.19 0.09 0.51 -0.51 0.00 0.00 0.00 175.76 176.04 1slj s LEU 116 N 0.64 4.26 0.18 0.00 1.43 -1.26 -3.01 118.68 120.92 1slj s LEU 116 Ca -0.10 0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 53.71 1slj s LEU 116 Cb -0.16 -2.75 -0.07 0.00 0.03 0.00 0.00 46.19 43.24 1slj s LEU 116 CO 0.02 -0.05 0.56 -0.89 0.23 0.00 0.00 176.35 176.23 1slj s THR 117 N 0.82 4.87 -0.78 5.49 2.01 -0.30 -4.76 115.64 122.99 1slj s THR 117 Ca 0.27 0.72 0.07 0.00 0.31 0.00 0.00 61.69 63.06 1slj s THR 117 Cb -0.15 -3.69 0.11 0.00 0.01 0.00 0.00 72.50 68.78 1slj s THR 117 CO 0.11 0.12 0.91 0.35 -0.69 0.00 0.00 174.62 175.42 1slj n THR 118 N 0.44 0.40 -1.13 -0.82 -2.24 -1.26 -3.88 114.28 105.79 1slj n THR 118 Ca -0.03 -0.70 -0.29 0.00 -2.27 0.00 0.00 64.05 60.76 1slj n THR 118 Cb 0.52 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 1slj n THR 118 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1slj n PHE 119 N 0.31 1.63 -4.54 4.78 3.72 -1.26 -4.71 117.46 117.39 1slj n PHE 119 Ca 0.06 -2.49 -0.26 0.00 -0.05 0.00 0.00 57.45 54.71 1slj n PHE 119 Cb 0.26 -2.12 -0.09 0.00 -0.94 0.00 0.00 39.48 36.59 1slj n PHE 119 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1slj s ILE 120 N 2.08 0.84 -0.69 4.37 1.09 -1.26 -5.02 121.20 122.60 1slj s ILE 120 Ca 0.63 -2.00 -0.22 0.00 -1.10 0.00 0.00 60.65 57.96 1slj s ILE 120 Cb 0.20 -2.44 -0.18 0.00 -1.06 0.00 0.00 42.46 38.99 1slj s ILE 120 CO -0.04 0.00 1.89 -0.24 -0.10 0.00 0.00 174.94 176.45 1slj n SER 121 N -1.15 2.42 -4.75 3.58 2.88 -1.26 -4.84 113.62 110.50 1slj n SER 121 Ca -0.07 -2.64 -0.26 0.00 -1.33 0.00 0.00 58.87 54.56 1slj n SER 121 Cb 0.66 -1.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.00 1slj n SER 121 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1slj s LEU 122 N 1.00 2.92 -0.45 2.46 1.43 -1.26 -4.22 118.68 120.56 1slj s LEU 122 Ca 0.58 -1.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.43 1slj s LEU 122 Cb 0.14 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 45.14 1slj s LEU 122 CO 0.14 -0.64 0.26 0.00 0.23 0.00 0.00 176.35 176.34 1slj n ALA 123 N -1.27 -0.34 0.00 4.21 0.00 -1.26 -4.48 120.51 117.37 1slj n ALA 123 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1slj n ALA 123 Cb 0.65 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1slj n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1slj n GLY 124 N -0.97 0.78 0.00 0.00 0.00 -1.26 -4.66 105.19 99.07 1slj n GLY 124 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1slj n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06