#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1slj s SER 31 N 0.00 7.08 0.45 1.61 0.01 -1.26 -5.02 113.70 116.57 1slj s SER 31 Ca 0.00 2.32 -0.08 0.00 1.31 0.00 0.00 55.95 59.50 1slj s SER 31 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 1slj s SER 31 CO 0.00 -0.34 0.78 -1.00 0.41 0.00 0.00 173.24 173.10 1slj s HIS 32 N -0.51 3.52 -0.86 2.43 0.09 -1.26 -4.11 115.29 114.59 1slj s HIS 32 Ca 0.50 0.94 0.00 0.00 -0.00 0.00 0.00 55.06 56.50 1slj s HIS 32 Cb -0.34 -2.38 0.00 0.00 -0.00 0.00 0.00 32.58 29.86 1slj s HIS 32 CO 0.40 -0.20 0.00 -1.33 -0.00 0.00 0.00 174.74 173.61 1slj n MET 33 N -1.79 -0.63 -0.13 1.40 0.00 -1.26 -4.88 117.12 109.83 1slj n MET 33 Ca 0.02 0.68 -0.28 0.00 0.00 0.00 0.00 57.70 58.12 1slj n MET 33 Cb 0.54 -4.59 -0.09 0.00 0.00 0.00 0.00 33.22 29.09 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 -1.08 1.85 -3.77 4.03 4.77 -1.26 -5.04 117.00 116.51 1slj n LEU 34 Ca -0.09 0.30 -0.28 0.00 -0.03 0.00 0.00 56.01 55.91 1slj n LEU 34 Cb 0.38 -0.77 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1slj n LEU 34 CO 0.13 0.55 -0.14 -0.62 -1.33 0.00 0.00 177.39 175.98 1slj n GLU 35 N -4.14 -1.17 -0.04 3.23 -0.58 -1.26 -4.91 120.64 111.77 1slj n GLU 35 Ca -0.51 0.64 -0.03 0.00 -0.42 0.00 0.00 57.16 56.84 1slj n GLU 35 Cb 0.87 -2.94 -0.03 0.00 -0.57 0.00 0.00 31.44 28.77 1slj n GLU 35 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1slj h GLN 36 N -0.95 -0.03 -1.45 3.49 -0.00 -1.96 -3.32 115.11 110.89 1slj h GLN 36 Ca -0.59 0.00 -0.64 0.00 -0.00 0.00 0.00 58.65 57.42 1slj h GLN 36 Cb 1.35 0.01 -0.37 0.00 -0.00 0.00 0.00 27.48 28.48 1slj h GLN 36 CO 0.41 0.17 -0.06 1.63 -0.00 0.00 0.00 178.83 180.97 1slj n LYS 37 N -4.77 3.19 -4.20 0.06 5.02 -1.26 -4.99 118.16 111.21 1slj n LYS 37 Ca -0.02 -4.03 -0.18 0.00 -2.02 0.00 0.00 58.31 52.06 1slj n LYS 37 Cb 0.10 -2.27 -0.12 0.00 -0.02 0.00 0.00 35.03 32.72 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 -3.73 0.78 0.52 1.97 2.20 -1.25 -5.14 119.74 115.10 1slj s LYS 38 Ca 0.52 -0.84 -0.20 0.00 -0.36 0.00 0.00 55.97 55.09 1slj s LYS 38 Cb 0.43 -0.75 -0.07 0.00 -1.51 0.00 0.00 37.83 35.93 1slj s LYS 38 CO -0.19 0.17 1.08 0.00 -0.36 0.00 0.00 175.35 176.06 1slj s ALA 39 N -1.13 2.77 -0.08 3.13 0.00 -1.26 -4.91 121.76 120.28 1slj s ALA 39 Ca -0.02 0.70 -0.32 0.00 0.00 0.00 0.00 51.96 52.32 1slj s ALA 39 Cb -0.09 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1slj s ALA 39 CO 0.02 -0.58 2.00 -1.71 0.00 0.00 0.00 175.76 175.49 1slj n ASN 40 N -1.21 3.61 -4.82 0.00 5.15 -1.26 -4.69 115.26 112.04 1slj n ASN 40 Ca 0.10 0.77 -0.35 0.00 -0.60 0.00 0.00 54.58 54.51 1slj n ASN 40 Cb 0.52 -1.46 -0.06 0.00 -0.53 0.00 0.00 39.78 38.25 1slj n ASN 40 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1slj s ILE 41 N 5.21 4.54 0.02 -1.44 1.10 -1.26 -3.15 121.20 126.20 1slj s ILE 41 Ca 0.94 1.27 0.00 0.00 -0.51 0.00 0.00 60.65 62.35 1slj s ILE 41 Cb -0.54 -3.78 -0.01 0.00 0.15 0.00 0.00 42.46 38.28 1slj s ILE 41 CO 0.45 0.02 -0.02 -0.31 -2.11 0.00 0.00 174.94 172.97 1slj s TYR 42 N -1.74 0.21 -0.27 3.50 2.02 0.15 -4.94 117.35 116.27 1slj s TYR 42 Ca 0.49 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.74 1slj s TYR 42 Cb -0.14 -0.15 -0.00 0.00 -0.40 0.00 0.00 41.96 41.27 1slj s TYR 42 CO 0.19 -0.13 0.06 0.21 -1.57 0.00 0.00 175.55 174.31 1slj s LYS 43 N -1.07 3.25 0.23 -0.62 2.20 -1.26 -0.89 119.74 121.57 1slj s LYS 43 Ca -0.11 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.76 1slj s LYS 43 Cb -0.07 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 1slj s LYS 43 CO -0.01 -0.35 0.10 0.20 -0.36 0.00 0.00 175.35 174.92 1slj s GLY 44 N 1.52 1.56 0.27 5.54 0.00 -1.05 -4.91 107.32 110.25 1slj s GLY 44 Ca 0.04 -1.77 0.06 0.00 0.00 0.00 0.00 44.72 43.05 1slj s GLY 44 CO 0.02 -1.52 0.32 0.54 0.00 0.00 0.00 173.10 172.46 1slj s LYS 45 N -4.06 3.17 0.24 2.90 1.02 -1.26 -0.37 119.74 121.37 1slj s LYS 45 Ca 0.36 -0.94 -0.30 0.00 0.02 0.00 0.00 55.97 55.11 1slj s LYS 45 Cb 0.07 -2.74 -0.09 0.00 -0.52 0.00 0.00 37.83 34.55 1slj s LYS 45 CO 0.12 0.33 1.26 0.42 -0.92 0.00 0.00 175.35 176.55 1slj s ILE 46 N -2.09 3.20 0.00 2.17 1.09 -0.23 -2.55 121.20 122.80 1slj s ILE 46 Ca 0.36 1.06 0.00 0.00 -1.10 0.00 0.00 60.65 60.98 1slj s ILE 46 Cb -0.08 -3.68 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 1slj s ILE 46 CO 0.28 0.19 0.00 0.35 -0.10 0.00 0.00 174.94 175.66 1slj n THR 47 N 2.02 0.00 -3.67 2.92 -2.24 0.94 -1.31 114.28 112.93 1slj n THR 47 Ca 0.03 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1slj n THR 47 Cb 0.43 -0.76 -0.13 0.00 -2.10 0.00 0.00 70.33 67.77 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 -1.92 0.19 -0.05 -0.78 3.52 -1.18 -4.90 118.95 113.82 1slj s ARG 48 Ca 0.00 0.75 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 1slj s ARG 48 Cb 0.00 -0.00 0.02 0.00 -1.56 0.00 0.00 34.95 33.40 1slj s ARG 48 CO 0.00 -0.25 -0.08 0.42 -0.81 0.00 0.00 175.30 174.57 1slj s ILE 49 N 2.20 0.83 -0.05 4.11 1.01 -1.26 0.06 121.20 128.10 1slj s ILE 49 Ca -0.01 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1slj s ILE 49 Cb -0.12 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.57 1slj s ILE 49 CO -0.09 0.29 -0.12 -0.70 0.00 0.00 0.00 174.94 174.32 1slj s GLU 50 N 0.76 1.54 0.47 2.79 2.12 -1.19 -5.01 118.70 120.17 1slj s GLU 50 Ca -0.13 -0.40 0.24 0.00 0.36 0.00 0.00 54.97 55.04 1slj s GLU 50 Cb -0.15 -1.31 1.12 0.00 0.26 0.00 0.00 34.13 34.05 1slj s GLU 50 CO 0.02 0.06 1.93 -1.35 -0.54 0.00 0.00 175.26 175.38 1slj h PRO 51 N 6.81 0.00 0.00 4.30 0.11 -1.98 0.17 132.00 141.41 1slj h PRO 51 Ca -0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1slj h PRO 51 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1slj h PRO 51 CO 0.48 0.20 -0.15 0.77 -0.21 0.00 0.00 178.00 179.09 1slj h SER 52 N 0.00 0.00 -0.00 -2.05 0.02 -1.97 -3.16 113.55 106.38 1slj h SER 52 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1slj h SER 52 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1slj h SER 52 CO 0.03 0.15 -0.01 0.00 -1.14 0.00 0.00 176.83 175.85 1slj n LEU 53 N -3.22 0.95 -4.18 5.07 -0.00 -0.96 -5.03 117.00 109.64 1slj n LEU 53 Ca 0.01 -0.91 -0.37 0.00 -0.00 0.00 0.00 56.01 54.75 1slj n LEU 53 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.84 1slj n LEU 53 CO 0.33 0.22 -0.33 -1.84 -0.00 0.00 0.00 177.39 175.77 1slj n GLU 54 N -0.11 -0.84 -3.70 1.47 0.28 0.57 -4.85 120.64 113.47 1slj n GLU 54 Ca 0.01 0.11 -0.08 0.00 -0.16 0.00 0.00 57.16 57.04 1slj n GLU 54 Cb 0.04 -3.24 -0.02 0.00 1.43 0.00 0.00 31.44 29.65 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 -3.99 -1.43 -0.03 -1.84 0.00 -1.24 -0.84 121.76 112.39 1slj s ALA 55 Ca 0.21 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.25 1slj s ALA 55 Cb -0.11 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.82 1slj s ALA 55 CO 0.98 -0.94 -0.07 0.00 0.00 0.00 0.00 175.76 175.73 1slj s ALA 56 N -3.73 0.74 0.00 0.00 0.00 -0.20 -3.15 121.76 115.41 1slj s ALA 56 Ca 0.08 -0.22 -0.24 0.00 0.00 0.00 0.00 51.96 51.58 1slj s ALA 56 Cb -0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1slj s ALA 56 CO -0.00 0.09 0.72 -0.06 0.00 0.00 0.00 175.76 176.51 1slj s PHE 57 N 0.40 3.68 -0.13 0.00 0.08 0.11 -0.59 117.98 121.52 1slj s PHE 57 Ca -0.06 1.36 0.00 0.00 0.12 0.00 0.00 56.93 58.36 1slj s PHE 57 Cb -0.10 -2.79 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 1slj s PHE 57 CO 0.00 0.22 -0.15 0.08 -0.10 0.00 0.00 175.22 175.28 1slj s VAL 58 N 0.21 2.84 -0.41 -0.44 1.01 0.12 -0.04 120.40 123.68 1slj s VAL 58 Ca 0.37 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 1slj s VAL 58 Cb -0.19 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.04 1slj s VAL 58 CO 0.21 0.52 0.28 -0.62 0.00 0.00 0.00 175.10 175.50 1slj s ASP 59 N 0.48 5.96 -0.56 3.32 -1.08 -1.06 -0.17 116.67 123.56 1slj s ASP 59 Ca -0.10 -1.06 0.06 0.00 -0.52 0.00 0.00 52.55 50.93 1slj s ASP 59 Cb -0.16 -2.11 0.29 0.00 -1.46 0.00 0.00 42.92 39.48 1slj s ASP 59 CO 0.05 -0.47 0.79 0.00 0.52 0.00 0.00 175.17 176.06 1slj n TYR 60 N 5.10 3.03 -2.50 -5.34 4.11 -1.26 -4.17 117.16 116.13 1slj n TYR 60 Ca -0.11 -4.00 -0.16 0.00 -0.00 0.00 0.00 57.90 53.62 1slj n TYR 60 Cb 0.46 -0.50 -0.01 0.00 -0.00 0.00 0.00 39.34 39.29 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 0.46 -0.50 3.90 -7.48 0.00 -1.26 -4.95 105.19 95.36 1slj n GLY 61 Ca 0.29 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.79 3.66 -0.13 4.61 0.00 -1.26 -5.01 121.76 120.85 1slj s ALA 62 Ca 0.03 -0.54 0.17 0.00 0.00 0.00 0.00 51.96 51.63 1slj s ALA 62 Cb -0.02 -2.26 -0.23 0.00 0.00 0.00 0.00 23.12 20.61 1slj s ALA 62 CO 0.04 0.38 0.43 -1.91 0.00 0.00 0.00 175.76 174.70 1slj n GLU 63 N -0.59 0.66 0.00 0.00 4.07 -1.26 -4.21 120.64 119.30 1slj n GLU 63 Ca -0.02 0.07 0.03 0.00 -0.06 0.00 0.00 57.16 57.19 1slj n GLU 63 Cb 0.53 -1.64 -0.03 0.00 -0.06 0.00 0.00 31.44 30.24 1slj n GLU 63 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1slj n ARG 64 N -2.76 4.45 -0.82 5.31 5.12 -1.26 -5.11 116.66 121.59 1slj n ARG 64 Ca -0.20 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.66 1slj n ARG 64 Cb 0.97 -0.84 0.00 0.00 -1.16 0.00 0.00 32.46 31.42 1slj n ARG 64 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1slj n HIS 65 N -1.06 -2.25 -2.51 -1.55 8.25 -1.26 -4.68 115.22 110.16 1slj n HIS 65 Ca 0.01 1.21 -0.42 0.00 -0.26 0.00 0.00 57.72 58.27 1slj n HIS 65 Cb 0.11 -2.22 -0.03 0.00 1.12 0.00 0.00 29.99 28.98 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 -3.38 0.99 -0.69 -1.41 0.00 0.77 -3.67 107.32 99.91 1slj s GLY 66 Ca 0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 44.72 43.61 1slj s GLY 66 CO 0.00 2.64 0.89 -0.12 0.00 0.00 0.00 173.10 176.51 1slj s PHE 67 N 5.54 2.92 -0.34 1.90 5.36 0.16 0.11 117.98 133.63 1slj s PHE 67 Ca 0.44 -0.92 -0.24 0.00 -0.96 0.00 0.00 56.93 55.25 1slj s PHE 67 Cb -0.09 -4.17 0.01 0.00 -0.34 0.00 0.00 43.02 38.43 1slj s PHE 67 CO 0.23 -1.46 0.81 -1.17 -1.46 0.00 0.00 175.22 172.17 1slj s LEU 68 N 3.14 4.09 0.34 6.12 0.20 0.24 -3.51 118.68 129.30 1slj s LEU 68 Ca 0.20 0.52 -0.28 0.00 0.69 0.00 0.00 54.13 55.26 1slj s LEU 68 Cb -0.17 -3.09 -0.09 0.00 -0.43 0.00 0.00 46.19 42.40 1slj s LEU 68 CO 0.04 -0.71 1.22 -2.84 -0.29 0.00 0.00 176.35 173.77 1slj s PRO 69 N 3.12 4.31 0.51 0.98 0.02 -1.26 -1.04 135.00 141.64 1slj s PRO 69 Ca 0.33 2.01 0.24 0.00 0.02 0.00 0.00 61.00 63.60 1slj s PRO 69 Cb -0.13 -2.96 1.34 0.00 0.02 0.00 0.00 34.50 32.76 1slj s PRO 69 CO 0.16 -0.15 1.99 1.25 -0.33 0.00 0.00 177.00 179.91 1slj h LEU 70 N 3.22 0.06 -2.46 -5.54 5.85 -1.31 -0.47 115.31 114.65 1slj h LEU 70 Ca -0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1slj h LEU 70 Cb 1.23 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1slj h LEU 70 CO 0.65 0.03 -0.03 0.07 -0.34 0.00 0.00 178.44 178.82 1slj h LYS 71 N 0.06 0.00 0.00 1.25 2.10 -1.91 -2.34 116.57 115.73 1slj h LYS 71 Ca 0.26 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.86 1slj h LYS 71 Cb 0.96 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.28 1slj h LYS 71 CO -0.02 0.03 -1.46 0.39 -2.00 0.00 0.00 179.45 176.39 1slj n GLU 72 N -3.49 0.63 -1.59 0.07 -0.58 -0.19 -4.99 120.64 110.50 1slj n GLU 72 Ca -0.02 0.04 -0.50 0.00 -0.42 0.00 0.00 57.16 56.26 1slj n GLU 72 Cb 0.13 -1.72 -0.05 0.00 -0.57 0.00 0.00 31.44 29.23 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 -2.60 0.44 -3.52 -3.67 5.41 -0.88 -4.66 119.36 109.88 1slj n ILE 73 Ca -0.05 -0.11 -0.30 0.00 1.00 0.00 0.00 62.75 63.29 1slj n ILE 73 Cb 0.65 -0.90 -0.04 0.00 -0.71 0.00 0.00 39.64 38.64 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 0.18 3.70 0.13 -1.39 0.00 -1.26 -4.92 121.76 118.20 1slj s ALA 74 Ca 0.78 -0.53 0.20 0.00 0.00 0.00 0.00 51.96 52.41 1slj s ALA 74 Cb -0.88 -2.23 1.07 0.00 0.00 0.00 0.00 23.12 21.08 1slj s ALA 74 CO 0.49 0.48 1.55 -0.09 0.00 0.00 0.00 175.76 178.19 1slj h ARG 75 N 2.33 0.00 0.00 0.00 9.65 -1.87 -0.27 114.38 124.22 1slj h ARG 75 Ca -0.47 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.37 1slj h ARG 75 Cb 1.18 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 1slj h ARG 75 CO 0.69 0.00 -0.17 1.49 2.80 0.00 0.00 179.97 184.78 1slj h GLU 76 N 0.00 0.00 0.15 0.20 4.57 -1.86 -2.95 114.58 114.69 1slj h GLU 76 Ca 0.00 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.86 1slj h GLU 76 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1slj h GLU 76 CO 0.00 0.17 -1.63 1.88 -1.18 0.00 0.00 179.01 178.25 1slj h TYR 77 N 0.00 0.58 -3.65 0.92 0.05 -1.39 -3.37 116.97 110.11 1slj h TYR 77 Ca -0.00 -0.42 -0.77 0.00 0.05 0.00 0.00 58.73 57.59 1slj h TYR 77 Cb 0.31 -0.02 -0.27 0.00 1.01 0.00 0.00 36.73 37.75 1slj h TYR 77 CO 0.00 1.64 -0.05 -0.59 -1.05 0.00 0.00 178.16 178.11 1slj s PHE 78 N -2.53 3.62 0.05 4.88 -0.71 -1.22 -4.72 117.98 117.35 1slj s PHE 78 Ca -0.18 -2.00 -0.11 0.00 -1.04 0.00 0.00 56.93 53.60 1slj s PHE 78 Cb 0.05 -3.70 -0.06 0.00 -1.21 0.00 0.00 43.02 38.10 1slj s PHE 78 CO 0.81 -0.97 0.23 -2.30 -1.34 0.00 0.00 175.22 171.64 1slj n PRO 79 N 4.13 0.00 0.13 1.99 -0.02 -1.20 -4.63 135.00 135.40 1slj n PRO 79 Ca 0.08 0.00 0.19 0.00 -2.02 0.00 0.00 63.50 61.75 1slj n PRO 79 Cb 0.44 -0.38 0.76 0.00 -0.02 0.00 0.00 33.50 34.30 1slj n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1slj h ALA 80 N 0.53 2.01 -0.00 3.55 0.00 -1.82 0.73 119.26 124.26 1slj h ALA 80 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1slj h ALA 80 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1slj h ALA 80 CO 0.20 -0.57 -0.12 0.09 0.00 0.00 0.00 179.25 178.85 1slj n ASN 81 N -3.68 0.30 -4.76 0.00 3.02 -1.26 -4.77 115.26 104.11 1slj n ASN 81 Ca 0.06 -0.25 -0.39 0.00 -0.03 0.00 0.00 54.58 53.96 1slj n ASN 81 Cb 0.55 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.52 1slj n ASN 81 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1slj s TYR 82 N -2.66 3.71 -0.21 3.10 5.04 0.25 -5.02 117.35 121.56 1slj s TYR 82 Ca 0.24 1.28 -0.29 0.00 -2.44 0.00 0.00 57.07 55.85 1slj s TYR 82 Cb 0.20 -2.65 -0.02 0.00 0.35 0.00 0.00 41.96 39.83 1slj s TYR 82 CO 0.51 0.36 1.49 0.45 -1.34 0.00 0.00 175.55 177.02 1slj s SER 83 N -0.25 6.57 0.61 4.32 0.15 -1.26 -4.87 113.70 118.96 1slj s SER 83 Ca 0.33 1.61 0.38 0.00 0.70 0.00 0.00 55.95 58.97 1slj s SER 83 Cb -0.19 -2.53 1.95 0.00 -1.71 0.00 0.00 66.02 63.53 1slj s SER 83 CO 0.19 -1.10 2.21 0.00 1.20 0.00 0.00 173.24 175.74 1slj h ALA 84 N 9.86 1.07 -1.29 5.45 0.00 -1.92 -3.45 119.26 128.98 1slj h ALA 84 Ca -0.31 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.27 1slj h ALA 84 Cb 1.14 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1slj h ALA 84 CO 1.00 0.02 -0.32 0.72 0.00 0.00 0.00 179.25 180.67 1slj n HIS 85 N -3.21 -0.28 0.00 0.00 8.25 -1.26 -3.22 115.22 115.49 1slj n HIS 85 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1slj n HIS 85 Cb 0.17 -2.86 0.00 0.00 1.12 0.00 0.00 29.99 28.41 1slj n HIS 85 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1slj n GLY 86 N -1.08 2.03 2.83 -1.41 0.00 -1.26 -4.86 105.19 101.44 1slj n GLY 86 Ca -0.16 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1slj n GLY 86 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1slj s ARG 87 N 0.00 0.37 0.76 1.61 1.70 -1.20 -5.15 118.95 117.05 1slj s ARG 87 Ca 0.00 0.04 -0.14 0.00 -0.47 0.00 0.00 55.73 55.16 1slj s ARG 87 Cb 0.00 -0.52 0.05 0.00 -0.57 0.00 0.00 34.95 33.91 1slj s ARG 87 CO 0.00 -0.12 1.21 -1.25 -1.08 0.00 0.00 175.30 174.07 1slj s PRO 88 N 0.95 1.96 -0.29 3.89 0.04 -1.25 -5.03 135.00 135.26 1slj s PRO 88 Ca -0.10 1.78 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 1slj s PRO 88 Cb -0.13 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.64 1slj s PRO 88 CO -0.01 -1.98 -0.01 1.21 0.04 0.00 0.00 177.00 176.24 1slj s ASN 89 N -2.04 4.80 0.22 6.66 2.47 -1.26 -4.94 114.94 120.85 1slj s ASN 89 Ca 0.74 -1.22 -0.08 0.00 0.42 0.00 0.00 52.86 52.73 1slj s ASN 89 Cb -0.30 -1.70 0.29 0.00 -1.45 0.00 0.00 41.25 38.10 1slj s ASN 89 CO 0.47 -0.24 1.79 -0.29 -3.72 0.00 0.00 177.10 175.12 1slj h ILE 90 N 6.44 0.90 -0.21 -5.21 2.10 -1.92 0.21 117.51 119.82 1slj h ILE 90 Ca -0.23 -0.22 0.06 0.00 1.08 0.00 0.00 64.86 65.55 1slj h ILE 90 Cb 1.07 0.20 -0.01 0.00 -1.09 0.00 0.00 36.82 36.99 1slj h ILE 90 CO 0.53 0.12 0.21 0.11 -1.08 0.00 0.00 178.15 178.04 1slj h LYS 91 N 0.65 0.00 -0.35 2.19 1.79 -1.92 0.85 116.57 119.78 1slj h LYS 91 Ca 0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1slj h LYS 91 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1slj h LYS 91 CO -0.23 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 177.89 1slj n ASP 92 N -3.91 2.92 -0.02 0.86 8.00 0.65 -4.59 116.55 120.45 1slj n ASP 92 Ca 0.02 -1.97 -0.06 0.00 0.71 0.00 0.00 54.79 53.49 1slj n ASP 92 Cb 0.34 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 1slj n ASP 92 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1slj n VAL 93 N 0.58 0.53 -4.02 2.53 0.31 -0.55 -4.94 118.33 112.77 1slj n VAL 93 Ca 0.12 -0.01 -0.27 0.00 -0.01 0.00 0.00 64.34 64.17 1slj n VAL 93 Cb 0.43 -1.62 -0.05 0.00 -0.91 0.00 0.00 33.84 31.69 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 -6.51 4.04 0.01 7.52 1.43 0.18 -4.42 118.68 120.93 1slj s LEU 94 Ca -0.09 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 1slj s LEU 94 Cb 0.03 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.62 1slj s LEU 94 CO 0.11 0.08 0.25 0.00 0.23 0.00 0.00 176.35 177.03 1slj s ARG 95 N -3.03 0.67 -0.02 1.70 3.03 -1.26 -4.62 118.95 115.41 1slj s ARG 95 Ca 0.32 -0.39 -0.30 0.00 2.03 0.00 0.00 55.73 57.40 1slj s ARG 95 Cb -0.11 0.29 -0.07 0.00 -1.03 0.00 0.00 34.95 34.02 1slj s ARG 95 CO 0.25 -0.19 1.91 -1.21 -1.13 0.00 0.00 175.30 174.94 1slj s GLU 96 N -1.85 4.02 0.00 3.89 2.02 -1.26 -0.79 118.70 124.74 1slj s GLU 96 Ca -0.10 2.42 0.00 0.00 0.02 0.00 0.00 54.97 57.31 1slj s GLU 96 Cb -0.04 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 30.05 1slj s GLU 96 CO 0.01 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 174.62 1slj n GLY 97 N 4.60 2.37 3.74 -1.39 0.00 -0.43 -4.92 105.19 109.16 1slj n GLY 97 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.33 4.67 0.44 1.61 0.74 0.03 -4.75 119.66 122.07 1slj s GLN 98 Ca 0.00 1.57 -0.08 0.00 0.05 0.00 0.00 55.36 56.91 1slj s GLN 98 Cb 0.00 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.74 1slj s GLN 98 CO 0.00 0.19 0.77 -1.83 -0.55 0.00 0.00 175.29 173.87 1slj s GLU 99 N -0.32 3.65 0.04 1.67 -1.05 -1.26 -1.07 118.70 120.36 1slj s GLU 99 Ca 0.47 0.32 0.01 0.00 -0.15 0.00 0.00 54.97 55.62 1slj s GLU 99 Cb -0.26 -2.39 -0.02 0.00 -0.44 0.00 0.00 34.13 31.01 1slj s GLU 99 CO 0.32 -0.12 -0.05 0.14 0.95 0.00 0.00 175.26 176.51 1slj s VAL 100 N -2.55 0.33 -0.39 1.83 -7.23 0.50 -4.94 120.40 107.96 1slj s VAL 100 Ca 0.49 -1.11 -0.12 0.00 -1.81 0.00 0.00 61.98 59.43 1slj s VAL 100 Cb -0.10 -0.58 0.03 0.00 0.56 0.00 0.00 36.38 36.28 1slj s VAL 100 CO 0.38 -0.51 0.24 -0.63 -0.31 0.00 0.00 175.10 174.27 1slj s ILE 101 N -1.73 4.79 -0.06 -0.62 -1.09 -1.26 -2.53 121.20 118.70 1slj s ILE 101 Ca -0.10 -0.80 -0.04 0.00 -2.23 0.00 0.00 60.65 57.48 1slj s ILE 101 Cb -0.08 -3.67 0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1slj s ILE 101 CO -0.01 -0.26 0.14 0.68 -1.23 0.00 0.00 174.94 174.26 1slj s VAL 102 N 1.59 -0.03 -0.06 2.92 -7.23 -0.07 -4.79 120.40 112.73 1slj s VAL 102 Ca 0.03 0.09 -0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1slj s VAL 102 Cb -0.19 -0.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.50 1slj s VAL 102 CO 0.08 0.04 -0.02 0.00 -0.31 0.00 0.00 175.10 174.88 1slj s GLN 103 N 0.65 2.85 -0.56 4.82 -2.07 -1.26 0.30 119.66 124.39 1slj s GLN 103 Ca -0.05 -0.51 -0.28 0.00 -1.82 0.00 0.00 55.36 52.71 1slj s GLN 103 Cb -0.06 -2.69 0.01 0.00 -1.09 0.00 0.00 33.01 29.17 1slj s GLN 103 CO -0.03 0.67 1.50 0.42 -1.32 0.00 0.00 175.29 176.53 1slj s ILE 104 N -0.91 3.70 0.00 3.63 -1.09 -1.19 -2.71 121.20 122.63 1slj s ILE 104 Ca 0.15 0.58 -0.19 0.00 -2.23 0.00 0.00 60.65 58.96 1slj s ILE 104 Cb -0.11 -4.33 -0.27 0.00 -1.58 0.00 0.00 42.46 36.16 1slj s ILE 104 CO 0.04 -1.11 1.04 -0.78 -1.23 0.00 0.00 174.94 172.91 1slj h ASP 105 N 11.67 0.60 -4.14 3.58 1.82 -1.74 -3.43 116.42 124.78 1slj h ASP 105 Ca -0.27 -0.83 -0.69 0.00 -0.39 0.00 0.00 57.03 54.85 1slj h ASP 105 Cb 1.11 -0.19 -0.29 0.00 0.68 0.00 0.00 39.33 40.64 1slj h ASP 105 CO 1.18 1.36 -0.85 -0.54 -1.61 0.00 0.00 179.24 178.78 1slj s LYS 106 N -2.94 2.48 0.31 0.28 1.02 -1.22 -5.02 119.74 114.65 1slj s LYS 106 Ca -0.12 -0.84 -0.25 0.00 0.02 0.00 0.00 55.97 54.77 1slj s LYS 106 Cb 0.03 -2.22 -0.10 0.00 -0.52 0.00 0.00 37.83 35.03 1slj s LYS 106 CO 0.85 0.48 0.92 -1.21 -0.92 0.00 0.00 175.35 175.47 1slj s GLU 107 N -0.39 4.55 -0.90 1.68 2.02 -1.25 -1.44 118.70 122.97 1slj s GLU 107 Ca 0.04 1.28 -0.24 0.00 0.02 0.00 0.00 54.97 56.06 1slj s GLU 107 Cb -0.12 -2.81 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 1slj s GLU 107 CO 0.02 0.29 1.85 -2.00 0.02 0.00 0.00 175.26 175.44 1slj s GLU 108 N -2.04 2.74 0.00 1.61 2.12 -1.23 -4.09 118.70 117.81 1slj s GLU 108 Ca 0.49 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.46 1slj s GLU 108 Cb -0.18 -5.05 0.00 0.00 0.26 0.00 0.00 34.13 29.16 1slj s GLU 108 CO 0.23 -3.12 0.00 0.54 -0.54 0.00 0.00 175.26 172.38 1slj n ARG 109 N 8.89 0.00 0.00 4.30 1.74 -1.26 -4.82 116.66 125.51 1slj n ARG 109 Ca 0.37 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1slj n ARG 109 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1slj n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1slj n GLY 110 N 3.09 -0.34 0.05 -0.13 0.00 -1.26 -4.86 105.19 101.74 1slj n GLY 110 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1slj n GLY 110 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1slj h ASN 111 N 0.00 0.03 0.00 1.61 -0.73 -1.98 -3.39 115.58 111.12 1slj h ASN 111 Ca 0.00 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.09 1slj h ASN 111 Cb 0.00 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.58 1slj h ASN 111 CO 0.00 0.10 -0.82 0.29 -0.37 0.00 0.00 177.43 176.63 1slj n LYS 112 N -5.03 0.64 0.00 6.67 5.02 -1.26 -5.12 118.16 119.08 1slj n LYS 112 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1slj n LYS 112 Cb 0.07 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1slj n LYS 112 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1slj n GLY 113 N 3.03 0.50 3.59 0.72 0.00 -1.26 -4.82 105.19 106.96 1slj n GLY 113 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 2.94 -0.22 4.61 0.00 -1.24 -3.54 121.76 122.31 1slj s ALA 114 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 1slj s ALA 114 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 1slj s ALA 114 CO 0.00 -2.62 0.08 0.00 0.00 0.00 0.00 175.76 173.22 1slj s ALA 115 N 5.71 3.32 0.21 0.00 0.00 -0.52 0.40 121.76 130.88 1slj s ALA 115 Ca 0.58 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 1slj s ALA 115 Cb -0.12 -2.04 -0.07 0.00 0.00 0.00 0.00 23.12 20.89 1slj s ALA 115 CO 0.30 -0.14 0.54 -0.51 0.00 0.00 0.00 175.76 175.95 1slj s LEU 116 N 0.98 4.21 0.49 0.00 1.43 -1.23 -2.05 118.68 122.50 1slj s LEU 116 Ca 0.04 0.95 0.05 0.00 -1.03 0.00 0.00 54.13 54.15 1slj s LEU 116 Cb -0.14 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 1slj s LEU 116 CO 0.03 -0.03 0.22 0.28 0.23 0.00 0.00 176.35 177.08 1slj s THR 117 N -1.73 1.76 -0.14 5.49 -1.32 -1.10 -4.67 115.64 113.94 1slj s THR 117 Ca 0.45 -1.70 0.15 0.00 -1.21 0.00 0.00 61.69 59.38 1slj s THR 117 Cb -0.12 -2.45 0.36 0.00 -1.51 0.00 0.00 72.50 68.78 1slj s THR 117 CO 0.21 0.00 1.18 0.35 -2.21 0.00 0.00 174.62 174.14 1slj n THR 118 N -1.45 1.56 -0.66 5.08 -2.24 -1.26 -4.42 114.28 110.90 1slj n THR 118 Ca -0.06 -2.36 -0.05 0.00 -2.27 0.00 0.00 64.05 59.31 1slj n THR 118 Cb 0.65 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.86 1slj n THR 118 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1slj n PHE 119 N -0.80 0.00 -4.33 4.78 7.35 -1.26 -4.81 117.46 118.38 1slj n PHE 119 Ca 0.14 -1.11 -0.18 0.00 -0.76 0.00 0.00 57.45 55.55 1slj n PHE 119 Cb 0.76 -0.93 -0.10 0.00 0.35 0.00 0.00 39.48 39.57 1slj n PHE 119 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1slj s ILE 120 N 0.63 1.46 -0.84 -2.13 1.09 -1.26 -5.01 121.20 115.14 1slj s ILE 120 Ca 0.27 -2.13 -0.16 0.00 -1.10 0.00 0.00 60.65 57.53 1slj s ILE 120 Cb 0.13 -2.11 -0.12 0.00 -1.06 0.00 0.00 42.46 39.30 1slj s ILE 120 CO 0.00 -0.54 1.99 -1.20 -0.10 0.00 0.00 174.94 175.09 1slj n SER 121 N -0.37 3.31 -4.74 3.58 7.64 -1.26 -4.83 113.62 116.94 1slj n SER 121 Ca -0.08 -2.57 -0.28 0.00 1.01 0.00 0.00 58.87 56.96 1slj n SER 121 Cb 0.61 -1.12 -0.07 0.00 -1.01 0.00 0.00 64.21 62.62 1slj n SER 121 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1slj s LEU 122 N 0.86 2.80 -0.17 -3.43 1.43 -1.26 -4.65 118.68 114.26 1slj s LEU 122 Ca 0.51 -1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.29 1slj s LEU 122 Cb 0.13 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 1slj s LEU 122 CO 0.06 -0.68 0.15 0.00 0.23 0.00 0.00 176.35 176.11 1slj n ALA 123 N -1.26 -0.62 0.00 4.21 0.00 -1.26 -4.67 120.51 116.91 1slj n ALA 123 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1slj n ALA 123 Cb 0.66 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.29 0.93 0.56 0.00 0.00 -1.26 -4.72 105.19 99.40 1slj n GLY 124 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1slj n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76