#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 1.42 0.00 1.61 7.64 -1.26 -5.11 113.62 117.92 1slj n SER 31 Ca 0.00 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1slj n SER 31 Cb 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1slj n SER 31 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1slj n HIS 32 N -0.81 -0.32 -0.55 1.43 -0.00 -1.26 -4.83 115.22 108.88 1slj n HIS 32 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1slj n HIS 32 Cb 0.70 0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.81 1slj n HIS 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1slj n MET 33 N 0.00 -1.76 -2.79 -0.41 -0.00 -1.26 -4.83 117.12 106.07 1slj n MET 33 Ca 0.00 0.26 -0.07 0.00 -0.00 0.00 0.00 57.70 57.88 1slj n MET 33 Cb 0.00 -3.85 -0.03 0.00 -0.00 0.00 0.00 33.22 29.35 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 0.00 0.00 -4.52 3.17 4.77 -1.26 -4.80 117.00 114.36 1slj n LEU 34 Ca 0.00 -1.09 -0.43 0.00 -0.03 0.00 0.00 56.01 54.46 1slj n LEU 34 Cb 0.26 0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 41.82 1slj n LEU 34 CO 0.00 -0.18 0.76 -1.61 -1.33 0.00 0.00 177.39 175.04 1slj s GLU 35 N -2.49 3.31 -1.47 3.23 2.02 -1.26 -4.67 118.70 117.37 1slj s GLU 35 Ca 0.12 -0.30 -0.12 0.00 0.02 0.00 0.00 54.97 54.68 1slj s GLU 35 Cb 0.01 -4.07 0.03 0.00 0.10 0.00 0.00 34.13 30.20 1slj s GLU 35 CO 0.08 -1.53 2.35 1.04 0.02 0.00 0.00 175.26 177.22 1slj n GLN 36 N 7.53 3.22 -1.40 1.61 6.02 -1.26 -4.35 117.38 128.75 1slj n GLN 36 Ca 0.01 -2.68 -0.13 0.00 -0.01 0.00 0.00 57.00 54.19 1slj n GLN 36 Cb 0.47 -3.10 -0.05 0.00 1.02 0.00 0.00 30.24 28.58 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 5.04 -0.91 -2.34 -1.09 5.02 -1.26 -4.99 118.16 117.63 1slj n LYS 37 Ca 0.57 0.95 -0.07 0.00 -2.02 0.00 0.00 58.31 57.74 1slj n LYS 37 Cb 0.34 -5.00 -0.01 0.00 -0.02 0.00 0.00 35.03 30.34 1slj n LYS 37 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1slj n LYS 38 N -2.61 1.52 -1.98 1.97 2.85 -1.26 -5.14 118.16 113.50 1slj n LYS 38 Ca -0.13 -0.83 -0.28 0.00 -1.05 0.00 0.00 58.31 56.02 1slj n LYS 38 Cb 0.43 0.16 0.11 0.00 -0.65 0.00 0.00 35.03 35.08 1slj n LYS 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1slj s ALA 39 N -2.19 2.69 -0.46 0.58 0.00 -1.26 -4.79 121.76 116.33 1slj s ALA 39 Ca 0.03 -0.85 -0.27 0.00 0.00 0.00 0.00 51.96 50.88 1slj s ALA 39 Cb -0.00 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 1slj s ALA 39 CO 0.02 -1.76 2.25 -0.80 0.00 0.00 0.00 175.76 175.47 1slj s ASN 40 N -4.64 4.83 0.07 0.00 0.01 -1.26 -4.64 114.94 109.31 1slj s ASN 40 Ca 0.64 1.09 -0.27 0.00 -0.71 0.00 0.00 52.86 53.61 1slj s ASN 40 Cb -0.09 -2.51 -0.06 0.00 0.41 0.00 0.00 41.25 39.00 1slj s ASN 40 CO 0.49 -2.58 0.85 -0.51 -1.51 0.00 0.00 177.10 173.84 1slj s ILE 41 N 10.74 4.64 0.03 0.60 1.10 -1.26 -0.06 121.20 136.99 1slj s ILE 41 Ca 0.92 1.82 0.04 0.00 -0.51 0.00 0.00 60.65 62.91 1slj s ILE 41 Cb -0.19 -4.20 -0.02 0.00 0.15 0.00 0.00 42.46 38.20 1slj s ILE 41 CO 0.27 0.34 -0.12 -0.31 -2.11 0.00 0.00 174.94 173.01 1slj s TYR 42 N -0.01 1.01 -0.37 3.50 2.02 0.20 -4.62 117.35 119.08 1slj s TYR 42 Ca 0.42 -0.34 -0.06 0.00 -0.37 0.00 0.00 57.07 56.72 1slj s TYR 42 Cb -0.22 -0.61 0.06 0.00 -0.40 0.00 0.00 41.96 40.80 1slj s TYR 42 CO 0.26 0.00 0.15 0.21 -1.57 0.00 0.00 175.55 174.60 1slj s LYS 43 N -1.06 2.52 0.17 -0.62 2.47 -1.26 -1.83 119.74 120.13 1slj s LYS 43 Ca -0.00 -1.35 -0.07 0.00 -1.56 0.00 0.00 55.97 52.99 1slj s LYS 43 Cb -0.07 -3.54 -0.02 0.00 -1.46 0.00 0.00 37.83 32.74 1slj s LYS 43 CO 0.01 -0.79 0.23 0.20 0.16 0.00 0.00 175.35 175.16 1slj s GLY 44 N 1.64 0.71 0.24 5.54 0.00 -1.17 -4.92 107.32 109.37 1slj s GLY 44 Ca 0.01 -1.11 0.07 0.00 0.00 0.00 0.00 44.72 43.68 1slj s GLY 44 CO 0.01 -1.00 0.18 0.54 0.00 0.00 0.00 173.10 172.83 1slj s LYS 45 N -4.01 2.90 0.35 2.90 1.02 -1.25 -0.34 119.74 121.30 1slj s LYS 45 Ca 0.22 -1.05 -0.27 0.00 0.02 0.00 0.00 55.97 54.89 1slj s LYS 45 Cb 0.04 -2.56 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 1slj s LYS 45 CO 0.03 0.41 1.19 0.42 -0.92 0.00 0.00 175.35 176.47 1slj s ILE 46 N -2.09 3.13 0.00 2.17 1.09 -0.28 -1.40 121.20 123.81 1slj s ILE 46 Ca 0.33 1.05 0.00 0.00 -1.10 0.00 0.00 60.65 60.92 1slj s ILE 46 Cb -0.08 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.69 1slj s ILE 46 CO 0.25 0.18 0.21 0.35 -0.10 0.00 0.00 174.94 175.83 1slj n THR 47 N 0.57 0.00 -3.59 2.92 -2.24 0.17 -1.12 114.28 110.98 1slj n THR 47 Ca 0.02 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.55 1slj n THR 47 Cb 0.45 1.55 -0.05 0.00 -2.10 0.00 0.00 70.33 70.17 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 -0.01 0.50 -0.07 -0.78 3.52 -1.16 -4.92 118.95 116.03 1slj s ARG 48 Ca 0.00 1.04 -0.03 0.00 -0.13 0.00 0.00 55.73 56.61 1slj s ARG 48 Cb 0.00 0.39 0.04 0.00 -1.56 0.00 0.00 34.95 33.82 1slj s ARG 48 CO 0.00 -0.14 0.10 0.42 -0.81 0.00 0.00 175.30 174.88 1slj s ILE 49 N 2.09 -0.17 -0.11 4.11 1.01 -1.26 -0.33 121.20 126.54 1slj s ILE 49 Ca -0.07 0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1slj s ILE 49 Cb -0.07 -0.24 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 1slj s ILE 49 CO -0.18 0.14 -0.20 -1.61 0.00 0.00 0.00 174.94 173.09 1slj s GLU 50 N 2.22 3.16 0.28 2.79 2.02 -1.19 -4.98 118.70 123.01 1slj s GLU 50 Ca 0.04 -0.81 0.24 0.00 0.02 0.00 0.00 54.97 54.46 1slj s GLU 50 Cb -0.12 -2.42 1.02 0.00 0.10 0.00 0.00 34.13 32.71 1slj s GLU 50 CO -0.05 0.20 1.72 -2.30 0.02 0.00 0.00 175.26 174.85 1slj n PRO 51 N 3.51 0.20 0.03 0.39 -0.02 -1.26 -1.17 135.00 136.67 1slj n PRO 51 Ca -0.19 0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 61.63 1slj n PRO 51 Cb 0.53 -1.90 0.01 0.00 -0.02 0.00 0.00 33.50 32.12 1slj n PRO 51 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1slj h SER 52 N 0.00 0.61 -0.04 2.55 0.02 -1.97 -3.34 113.55 111.38 1slj h SER 52 Ca 0.00 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1slj h SER 52 Cb 0.33 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1slj h SER 52 CO 0.00 1.14 0.00 0.00 -1.14 0.00 0.00 176.83 176.83 1slj n LEU 53 N -3.88 1.76 -4.14 5.07 -0.00 -1.05 -5.02 117.00 109.74 1slj n LEU 53 Ca -0.05 -1.58 -0.43 0.00 -0.00 0.00 0.00 56.01 53.95 1slj n LEU 53 Cb 0.70 -0.03 -0.01 0.00 -0.00 0.00 0.00 43.42 44.08 1slj n LEU 53 CO 0.49 0.43 -0.25 -1.84 -0.00 0.00 0.00 177.39 176.22 1slj n GLU 54 N -0.13 -0.45 -3.67 1.47 0.28 -0.32 -4.87 120.64 112.95 1slj n GLU 54 Ca 0.02 0.08 -0.05 0.00 -0.16 0.00 0.00 57.16 57.04 1slj n GLU 54 Cb 0.19 -2.80 -0.02 0.00 1.43 0.00 0.00 31.44 30.24 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 -3.75 -1.68 0.03 -1.84 0.00 -1.24 -1.55 121.76 111.73 1slj s ALA 55 Ca 0.37 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.72 1slj s ALA 55 Cb -0.20 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 1slj s ALA 55 CO 0.98 -0.93 -0.07 0.00 0.00 0.00 0.00 175.76 175.74 1slj s ALA 56 N -3.29 0.51 -0.18 0.00 0.00 -0.23 -3.14 121.76 115.43 1slj s ALA 56 Ca 0.10 -0.65 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 1slj s ALA 56 Cb -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1slj s ALA 56 CO -0.01 -0.01 0.11 -0.06 0.00 0.00 0.00 175.76 175.79 1slj s PHE 57 N -1.14 3.40 -0.10 0.00 0.08 0.55 -0.38 117.98 120.39 1slj s PHE 57 Ca -0.08 0.30 -0.01 0.00 0.12 0.00 0.00 56.93 57.26 1slj s PHE 57 Cb -0.08 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.25 1slj s PHE 57 CO 0.00 0.35 -0.04 0.08 -0.10 0.00 0.00 175.22 175.52 1slj s VAL 58 N 0.05 3.95 -0.37 -0.44 1.01 0.24 0.42 120.40 125.26 1slj s VAL 58 Ca 0.08 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1slj s VAL 58 Cb -0.12 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.65 1slj s VAL 58 CO -0.00 0.57 0.16 -0.62 0.00 0.00 0.00 175.10 175.20 1slj s ASP 59 N -0.44 5.42 -0.53 3.32 2.15 -0.49 -1.91 116.67 124.18 1slj s ASP 59 Ca 0.07 -1.31 0.07 0.00 0.43 0.00 0.00 52.55 51.81 1slj s ASP 59 Cb -0.12 -1.90 0.29 0.00 -0.30 0.00 0.00 42.92 40.88 1slj s ASP 59 CO 0.02 -0.41 0.75 0.00 -0.17 0.00 0.00 175.17 175.37 1slj n TYR 60 N 4.83 2.40 -1.42 -5.34 4.11 -1.26 -3.95 117.16 116.52 1slj n TYR 60 Ca -0.11 -3.94 -0.15 0.00 -0.00 0.00 0.00 57.90 53.70 1slj n TYR 60 Cb 0.44 -0.48 -0.06 0.00 -0.00 0.00 0.00 39.34 39.24 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 0.58 1.44 3.76 -7.48 0.00 -1.26 -4.93 105.19 97.31 1slj n GLY 61 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.27 3.29 -0.10 4.61 0.00 -1.26 -4.96 121.76 121.06 1slj s ALA 62 Ca 0.00 0.63 0.21 0.00 0.00 0.00 0.00 51.96 52.81 1slj s ALA 62 Cb 0.00 -3.22 -0.23 0.00 0.00 0.00 0.00 23.12 19.67 1slj s ALA 62 CO 0.00 0.12 0.61 -1.91 0.00 0.00 0.00 175.76 174.58 1slj n GLU 63 N 1.04 0.65 -0.00 0.00 4.07 -1.26 -4.06 120.64 121.08 1slj n GLU 63 Ca -0.00 -0.07 0.07 0.00 -0.06 0.00 0.00 57.16 57.10 1slj n GLU 63 Cb 0.48 -1.62 -0.09 0.00 -0.06 0.00 0.00 31.44 30.15 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 -2.45 1.67 -1.42 5.31 5.12 -1.26 -5.09 116.66 118.54 1slj n ARG 64 Ca -0.06 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 1slj n ARG 64 Cb 0.63 -1.24 0.00 0.00 -1.16 0.00 0.00 32.46 30.70 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 -1.55 -2.43 -1.84 -1.55 8.25 -1.26 -4.65 115.22 110.19 1slj n HIS 65 Ca 0.01 1.46 -0.42 0.00 -0.26 0.00 0.00 57.72 58.50 1slj n HIS 65 Cb 0.28 -2.86 -0.03 0.00 1.12 0.00 0.00 29.99 28.49 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 -0.27 1.34 -0.34 -1.41 0.00 -0.80 -4.36 107.32 101.48 1slj s GLY 66 Ca 0.00 1.01 -0.10 0.00 0.00 0.00 0.00 44.72 45.63 1slj s GLY 66 CO 0.00 3.29 0.17 -0.12 0.00 0.00 0.00 173.10 176.44 1slj s PHE 67 N 4.85 3.22 -0.30 1.90 5.36 0.67 0.80 117.98 134.48 1slj s PHE 67 Ca 0.82 -0.88 -0.11 0.00 -0.96 0.00 0.00 56.93 55.80 1slj s PHE 67 Cb -0.36 -2.38 -0.03 0.00 -0.34 0.00 0.00 43.02 39.91 1slj s PHE 67 CO 0.35 -0.59 0.19 -1.17 -1.46 0.00 0.00 175.22 172.54 1slj s LEU 68 N 1.55 4.15 0.48 6.12 0.20 0.49 -2.97 118.68 128.71 1slj s LEU 68 Ca 0.03 -0.26 -0.23 0.00 0.69 0.00 0.00 54.13 54.36 1slj s LEU 68 Cb -0.18 -2.09 -0.07 0.00 -0.43 0.00 0.00 46.19 43.42 1slj s LEU 68 CO 0.06 -0.14 1.31 -2.84 -0.29 0.00 0.00 176.35 174.45 1slj s PRO 69 N 1.71 3.54 0.31 0.98 0.02 -1.26 -1.07 135.00 139.22 1slj s PRO 69 Ca 0.06 2.14 0.03 0.00 0.02 0.00 0.00 61.00 63.26 1slj s PRO 69 Cb -0.17 -2.46 0.50 0.00 0.02 0.00 0.00 34.50 32.39 1slj s PRO 69 CO 0.09 -0.84 1.79 1.25 -0.33 0.00 0.00 177.00 178.96 1slj h LEU 70 N 1.99 0.48 -2.51 -5.54 5.85 -1.62 -2.39 115.31 111.58 1slj h LEU 70 Ca -0.50 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.08 1slj h LEU 70 Cb 1.27 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1slj h LEU 70 CO 0.60 0.65 -0.02 0.07 -0.34 0.00 0.00 178.44 179.40 1slj h LYS 71 N 0.45 0.00 0.00 1.25 2.10 -1.91 0.17 116.57 118.64 1slj h LYS 71 Ca 0.08 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.53 1slj h LYS 71 Cb 0.52 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.82 1slj h LYS 71 CO 0.03 0.02 -0.94 0.93 -2.00 0.00 0.00 179.45 177.49 1slj h GLU 72 N 0.00 0.00 -6.21 0.07 4.39 -1.82 -3.48 114.58 107.54 1slj h GLU 72 Ca -0.00 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 58.99 1slj h GLU 72 Cb 0.09 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1slj h GLU 72 CO 0.00 0.94 0.65 -0.89 -1.16 0.00 0.00 179.01 178.55 1slj n ILE 73 N -3.39 0.14 -2.93 3.13 5.41 0.05 -4.68 119.36 117.08 1slj n ILE 73 Ca -0.00 -0.02 -0.30 0.00 1.00 0.00 0.00 62.75 63.43 1slj n ILE 73 Cb 0.90 -0.99 -0.03 0.00 -0.71 0.00 0.00 39.64 38.81 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 1.84 3.41 -0.42 -1.39 0.00 -1.26 -4.95 121.76 118.98 1slj s ALA 74 Ca 0.91 -0.31 0.18 0.00 0.00 0.00 0.00 51.96 52.74 1slj s ALA 74 Cb -1.01 -2.61 0.91 0.00 0.00 0.00 0.00 23.12 20.41 1slj s ALA 74 CO 0.55 0.00 1.54 -2.13 0.00 0.00 0.00 175.76 175.73 1slj n ARG 75 N -1.34 0.12 0.31 0.00 0.63 -1.26 -1.38 116.66 113.73 1slj n ARG 75 Ca 0.01 0.56 0.17 0.00 -0.92 0.00 0.00 57.85 57.68 1slj n ARG 75 Cb 0.54 -1.85 0.99 0.00 0.45 0.00 0.00 32.46 32.60 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 0.08 -0.14 4.57 -1.86 -2.95 114.58 114.27 1slj h GLU 76 Ca 0.00 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.97 1slj h GLU 76 Cb 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1slj h GLU 76 CO 0.00 0.01 -1.05 1.88 -1.18 0.00 0.00 179.01 178.67 1slj h TYR 77 N 0.00 0.29 -3.49 0.92 0.05 -1.55 -3.39 116.97 109.80 1slj h TYR 77 Ca -0.00 -0.21 -0.75 0.00 0.05 0.00 0.00 58.73 57.82 1slj h TYR 77 Cb 0.05 -0.01 -0.28 0.00 1.01 0.00 0.00 36.73 37.50 1slj h TYR 77 CO 0.00 1.41 -0.16 -0.59 -1.05 0.00 0.00 178.16 177.77 1slj s PHE 78 N -2.40 3.51 0.05 4.88 -0.71 -1.12 -4.66 117.98 117.53 1slj s PHE 78 Ca -0.21 -1.93 -0.11 0.00 -1.04 0.00 0.00 56.93 53.65 1slj s PHE 78 Cb 0.03 -3.64 -0.06 0.00 -1.21 0.00 0.00 43.02 38.14 1slj s PHE 78 CO 0.73 -0.97 0.24 -2.30 -1.34 0.00 0.00 175.22 171.57 1slj n PRO 79 N 4.40 0.00 0.28 1.99 -0.02 -1.17 -4.57 135.00 135.91 1slj n PRO 79 Ca 0.01 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.59 1slj n PRO 79 Cb 0.42 -0.40 0.53 0.00 -0.02 0.00 0.00 33.50 34.04 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 0.55 1.40 -0.01 3.55 0.00 -1.87 0.80 119.26 123.69 1slj h ALA 80 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1slj h ALA 80 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1slj h ALA 80 CO 0.21 -0.40 -0.57 0.09 0.00 0.00 0.00 179.25 178.57 1slj n ASN 81 N -2.54 1.24 -4.77 0.00 3.02 -1.26 -4.94 115.26 106.01 1slj n ASN 81 Ca -0.01 -1.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.14 1slj n ASN 81 Cb 0.47 0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 40.11 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 -2.72 3.28 -0.50 3.10 5.04 0.28 -4.91 117.35 120.92 1slj s TYR 82 Ca 0.16 1.58 -0.27 0.00 -2.44 0.00 0.00 57.07 56.10 1slj s TYR 82 Cb 0.18 -3.41 -0.03 0.00 0.35 0.00 0.00 41.96 39.04 1slj s TYR 82 CO 0.67 -1.11 1.98 -1.12 -1.34 0.00 0.00 175.55 174.63 1slj s SER 83 N -0.87 5.24 -0.45 4.32 0.01 -1.26 -4.93 113.70 115.75 1slj s SER 83 Ca 0.50 0.80 -0.07 0.00 1.31 0.00 0.00 55.95 58.48 1slj s SER 83 Cb -0.33 -2.52 0.12 0.00 0.21 0.00 0.00 66.02 63.49 1slj s SER 83 CO 0.43 -2.31 0.30 0.00 0.41 0.00 0.00 173.24 172.07 1slj s ALA 84 N 9.22 3.32 -0.51 1.44 0.00 -1.26 -5.01 121.76 128.95 1slj s ALA 84 Ca 0.78 -2.56 0.03 0.00 0.00 0.00 0.00 51.96 50.21 1slj s ALA 84 Cb -0.17 -2.68 0.13 0.00 0.00 0.00 0.00 23.12 20.40 1slj s ALA 84 CO 0.26 -1.88 0.26 -1.01 0.00 0.00 0.00 175.76 173.39 1slj s HIS 85 N 1.25 3.30 0.00 0.00 3.76 -1.26 -4.97 115.29 117.38 1slj s HIS 85 Ca 0.07 -3.07 0.00 0.00 -0.15 0.00 0.00 55.06 51.91 1slj s HIS 85 Cb -0.25 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 30.54 1slj s HIS 85 CO -0.02 -0.79 0.00 0.41 -0.85 0.00 0.00 174.74 173.49 1slj n GLY 86 N 3.35 1.32 2.96 -2.22 0.00 -1.26 -4.97 105.19 104.38 1slj n GLY 86 Ca 0.05 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 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 1.09 0.53 1.61 0.52 -1.26 -5.13 118.95 116.31 1slj s ARG 87 Ca 0.00 -0.25 -0.22 0.00 -0.52 0.00 0.00 55.73 54.73 1slj s ARG 87 Cb 0.00 -1.00 -0.06 0.00 0.52 0.00 0.00 34.95 34.42 1slj s ARG 87 CO 0.00 0.02 1.38 -1.25 0.02 0.00 0.00 175.30 175.46 1slj s PRO 88 N 0.59 3.25 -0.29 3.54 0.04 -1.26 -5.02 135.00 135.86 1slj s PRO 88 Ca -0.10 2.28 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 1slj s PRO 88 Cb -0.13 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 32.08 1slj s PRO 88 CO 0.01 -1.12 0.07 0.54 0.04 0.00 0.00 177.00 176.55 1slj s ASN 89 N -0.85 5.06 0.37 6.66 6.03 -1.26 -4.91 114.94 126.05 1slj s ASN 89 Ca 0.69 -0.67 0.05 0.00 -1.03 0.00 0.00 52.86 51.91 1slj s ASN 89 Cb -0.41 -1.87 0.74 0.00 -3.03 0.00 0.00 41.25 36.68 1slj s ASN 89 CO 0.50 -0.17 2.01 -0.29 -2.03 0.00 0.00 177.10 177.12 1slj h ILE 90 N 5.85 1.10 0.00 0.54 2.10 -1.92 0.19 117.51 125.37 1slj h ILE 90 Ca -0.32 -0.25 -0.00 0.00 1.08 0.00 0.00 64.86 65.36 1slj h ILE 90 Cb 1.13 0.31 -0.00 0.00 -1.09 0.00 0.00 36.82 37.17 1slj h ILE 90 CO 0.60 0.13 -0.02 0.07 -1.08 0.00 0.00 178.15 177.86 1slj h LYS 91 N 0.73 0.00 -0.09 2.19 2.10 -1.89 0.11 116.57 119.71 1slj h LYS 91 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1slj h LYS 91 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1slj h LYS 91 CO -0.06 0.02 0.00 -0.25 -2.00 0.00 0.00 179.45 177.16 1slj n ASP 92 N -3.33 2.75 0.00 7.07 8.00 0.60 -4.68 116.55 126.96 1slj n ASP 92 Ca -0.02 -2.86 0.00 0.00 0.71 0.00 0.00 54.79 52.61 1slj n ASP 92 Cb 0.12 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 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 -0.95 0.00 -4.01 2.53 0.31 -0.57 -4.91 118.33 110.73 1slj n VAL 93 Ca 0.15 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.26 1slj n VAL 93 Cb 0.64 -1.07 -0.05 0.00 -0.91 0.00 0.00 33.84 32.45 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 -5.50 3.51 -0.05 7.52 1.43 -0.08 -4.05 118.68 121.45 1slj s LEU 94 Ca 0.00 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.40 1slj s LEU 94 Cb 0.00 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1slj s LEU 94 CO 0.00 -0.23 0.37 0.00 0.23 0.00 0.00 176.35 176.72 1slj s ARG 95 N -3.89 0.67 -0.14 1.70 3.03 -1.26 -4.70 118.95 114.36 1slj s ARG 95 Ca 0.37 0.03 -0.29 0.00 2.03 0.00 0.00 55.73 57.88 1slj s ARG 95 Cb -0.05 0.30 -0.06 0.00 -1.03 0.00 0.00 34.95 34.11 1slj s ARG 95 CO 0.24 -0.17 2.15 0.39 -1.13 0.00 0.00 175.30 176.78 1slj n GLU 96 N 1.60 2.25 0.00 3.89 1.02 -1.26 -0.49 120.64 127.64 1slj n GLU 96 Ca -0.19 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1slj n GLU 96 Cb 0.56 -3.16 0.00 0.00 -0.02 0.00 0.00 31.44 28.82 1slj n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1slj n GLY 97 N 5.39 0.81 3.77 0.62 0.00 -0.28 -4.93 105.19 110.58 1slj n GLY 97 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 4.06 0.58 1.61 0.74 0.36 -4.83 119.66 121.79 1slj s GLN 98 Ca 0.00 0.07 -0.14 0.00 0.05 0.00 0.00 55.36 55.34 1slj s GLN 98 Cb 0.00 -3.35 -0.05 0.00 1.10 0.00 0.00 33.01 30.71 1slj s GLN 98 CO 0.00 0.41 1.02 -1.83 -0.55 0.00 0.00 175.29 174.34 1slj s GLU 99 N -0.04 3.62 0.03 1.67 -1.05 -1.26 -1.12 118.70 120.55 1slj s GLU 99 Ca 0.16 0.92 -0.00 0.00 -0.15 0.00 0.00 54.97 55.90 1slj s GLU 99 Cb -0.13 -2.08 -0.02 0.00 -0.44 0.00 0.00 34.13 31.45 1slj s GLU 99 CO 0.05 -0.55 -0.02 0.14 0.95 0.00 0.00 175.26 175.82 1slj s VAL 100 N -2.83 0.13 -0.42 1.83 -7.23 0.54 -4.92 120.40 107.49 1slj s VAL 100 Ca 0.58 -1.10 -0.17 0.00 -1.81 0.00 0.00 61.98 59.48 1slj s VAL 100 Cb -0.12 -0.54 0.02 0.00 0.56 0.00 0.00 36.38 36.30 1slj s VAL 100 CO 0.42 -0.60 0.43 -0.63 -0.31 0.00 0.00 175.10 174.41 1slj s ILE 101 N -2.00 5.10 -0.05 -0.62 -1.09 -1.26 -3.04 121.20 118.24 1slj s ILE 101 Ca -0.11 -0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 57.92 1slj s ILE 101 Cb -0.06 -4.03 0.03 0.00 -1.58 0.00 0.00 42.46 36.82 1slj s ILE 101 CO -0.03 -0.41 0.08 0.68 -1.23 0.00 0.00 174.94 174.03 1slj s VAL 102 N 2.10 -0.12 -0.12 2.92 -7.23 -0.76 -4.89 120.40 112.29 1slj s VAL 102 Ca 0.11 0.33 -0.11 0.00 -1.81 0.00 0.00 61.98 60.50 1slj s VAL 102 Cb -0.17 -0.17 -0.05 0.00 0.56 0.00 0.00 36.38 36.56 1slj s VAL 102 CO 0.13 0.14 0.24 0.00 -0.31 0.00 0.00 175.10 175.30 1slj s GLN 103 N 1.78 3.92 -0.57 4.82 -2.07 -1.26 0.59 119.66 126.87 1slj s GLN 103 Ca -0.01 0.03 -0.27 0.00 -1.82 0.00 0.00 55.36 53.29 1slj s GLN 103 Cb -0.12 -3.31 -0.00 0.00 -1.09 0.00 0.00 33.01 28.49 1slj s GLN 103 CO -0.04 0.51 1.62 0.42 -1.32 0.00 0.00 175.29 176.48 1slj s ILE 104 N -0.32 3.58 0.10 3.63 -1.09 0.92 -2.51 121.20 125.50 1slj s ILE 104 Ca 0.16 0.45 -0.16 0.00 -2.23 0.00 0.00 60.65 58.87 1slj s ILE 104 Cb -0.13 -4.20 -0.07 0.00 -1.58 0.00 0.00 42.46 36.48 1slj s ILE 104 CO 0.05 -1.04 1.46 -0.78 -1.23 0.00 0.00 174.94 173.39 1slj h ASP 105 N 12.63 0.67 -3.13 3.58 1.82 -1.46 -3.38 116.42 127.15 1slj h ASP 105 Ca -0.27 -0.42 -0.67 0.00 -0.39 0.00 0.00 57.03 55.27 1slj h ASP 105 Cb 1.12 -0.19 -0.34 0.00 0.68 0.00 0.00 39.33 40.60 1slj h ASP 105 CO 1.18 0.95 -0.86 -0.54 -1.61 0.00 0.00 179.24 178.36 1slj s LYS 106 N -4.56 3.02 0.55 0.28 1.02 -1.21 -5.01 119.74 113.84 1slj s LYS 106 Ca -0.13 -0.83 -0.09 0.00 0.02 0.00 0.00 55.97 54.94 1slj s LYS 106 Cb 0.09 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 1slj s LYS 106 CO 0.81 -0.13 0.93 -1.21 -0.92 0.00 0.00 175.35 174.82 1slj s GLU 107 N 1.11 3.61 -0.79 1.68 2.02 -1.24 -0.47 118.70 124.62 1slj s GLU 107 Ca 0.00 0.55 -0.26 0.00 0.02 0.00 0.00 54.97 55.29 1slj s GLU 107 Cb -0.14 -2.21 -0.11 0.00 0.10 0.00 0.00 34.13 31.78 1slj s GLU 107 CO -0.08 -0.39 2.29 -1.21 0.02 0.00 0.00 175.26 175.88 1slj s GLU 108 N -4.87 1.88 -0.29 1.61 2.02 -1.07 -3.89 118.70 114.10 1slj s GLU 108 Ca 0.52 0.39 0.14 0.00 0.02 0.00 0.00 54.97 56.04 1slj s GLU 108 Cb -0.11 -4.82 0.48 0.00 0.10 0.00 0.00 34.13 29.78 1slj s GLU 108 CO 0.48 -4.07 1.14 2.89 0.02 0.00 0.00 175.26 175.72 1slj n ARG 109 N 8.86 2.65 0.00 1.61 1.85 -1.26 -4.88 116.66 125.48 1slj n ARG 109 Ca 0.44 -3.85 0.00 0.00 -1.00 0.00 0.00 57.85 53.44 1slj n ARG 109 Cb 0.45 -1.93 0.00 0.00 -1.05 0.00 0.00 32.46 29.93 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 -0.61 2.36 0.24 2.89 0.00 -1.26 -4.44 105.19 104.37 1slj n GLY 110 Ca 0.26 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 0.00 1.61 -0.73 -1.96 -3.26 115.58 111.24 1slj h ASN 111 Ca 0.00 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.10 1slj h ASN 111 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1slj h ASN 111 CO 0.00 0.19 -1.25 0.29 -0.37 0.00 0.00 177.43 176.29 1slj n LYS 112 N -3.78 1.05 0.00 6.67 4.01 -1.26 -5.11 118.16 119.74 1slj n LYS 112 Ca -0.02 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1slj n LYS 112 Cb 0.30 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 33.73 1slj n LYS 112 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1slj n GLY 113 N 3.14 0.28 3.49 0.72 0.00 -1.23 -4.60 105.19 106.99 1slj n GLY 113 Ca -0.07 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.48 3.22 -0.22 4.61 0.00 -1.26 -2.58 121.76 124.04 1slj s ALA 114 Ca 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 51.96 50.41 1slj s ALA 114 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 1slj s ALA 114 CO 0.00 -2.35 0.03 0.00 0.00 0.00 0.00 175.76 173.44 1slj s ALA 115 N 3.60 3.12 0.33 0.00 0.00 0.37 -0.24 121.76 128.94 1slj s ALA 115 Ca 0.25 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 1slj s ALA 115 Cb -0.15 -1.91 -0.06 0.00 0.00 0.00 0.00 23.12 21.00 1slj s ALA 115 CO 0.16 -0.26 0.62 -0.51 0.00 0.00 0.00 175.76 175.77 1slj s LEU 116 N 1.19 3.99 0.39 0.00 1.43 -1.16 -1.23 118.68 123.29 1slj s LEU 116 Ca 0.04 0.84 0.04 0.00 -1.03 0.00 0.00 54.13 54.02 1slj s LEU 116 Cb -0.14 -3.68 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 1slj s LEU 116 CO 0.02 -0.26 0.06 0.28 0.23 0.00 0.00 176.35 176.68 1slj s THR 117 N -2.18 1.20 -0.06 5.49 -1.32 -1.04 -4.74 115.64 112.99 1slj s THR 117 Ca 0.46 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 59.02 1slj s THR 117 Cb -0.11 -2.63 0.12 0.00 -1.51 0.00 0.00 72.50 68.37 1slj s THR 117 CO 0.30 0.00 1.02 0.35 -2.21 0.00 0.00 174.62 174.08 1slj n THR 118 N -0.88 0.91 -0.73 5.08 -2.24 -1.26 -4.37 114.28 110.79 1slj n THR 118 Ca -0.06 -1.07 -0.07 0.00 -2.27 0.00 0.00 64.05 60.58 1slj n THR 118 Cb 0.66 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.66 0.00 -4.46 4.78 7.35 -1.26 -4.79 117.46 118.41 1slj n PHE 119 Ca 0.07 -1.18 -0.23 0.00 -0.76 0.00 0.00 57.45 55.35 1slj n PHE 119 Cb 0.61 -1.11 -0.10 0.00 0.35 0.00 0.00 39.48 39.23 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 0.84 0.87 -1.11 -2.13 1.01 -1.26 -5.04 121.20 114.38 1slj s ILE 120 Ca 0.38 -2.00 -0.16 0.00 0.00 0.00 0.00 60.65 58.87 1slj s ILE 120 Cb 0.18 -2.59 -0.07 0.00 0.01 0.00 0.00 42.46 40.00 1slj s ILE 120 CO 0.00 0.00 2.15 -1.20 0.00 0.00 0.00 174.94 175.89 1slj n SER 121 N -0.92 3.89 -4.73 3.58 7.64 -1.26 -4.87 113.62 116.96 1slj n SER 121 Ca -0.04 -2.68 -0.27 0.00 1.01 0.00 0.00 58.87 56.90 1slj n SER 121 Cb 0.66 -1.34 -0.08 0.00 -1.01 0.00 0.00 64.21 62.44 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 1.29 2.88 -0.14 -3.43 1.43 -1.26 -4.51 118.68 114.94 1slj s LEU 122 Ca 0.53 -1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1slj s LEU 122 Cb 0.14 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 1slj s LEU 122 CO 0.01 -0.62 0.12 0.00 0.23 0.00 0.00 176.35 176.09 1slj n ALA 123 N -1.22 -0.74 -2.00 4.21 0.00 -1.26 -4.31 120.51 115.19 1slj n ALA 123 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1slj n ALA 123 Cb 0.66 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.44 0.75 0.54 0.00 0.00 -1.26 -4.69 105.19 99.09 1slj n GLY 124 Ca -0.01 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.37 1slj n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76