#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 0.00 0.19 1.61 7.64 -1.26 -2.29 113.62 119.51 1slj n SER 31 Ca 0.00 0.78 0.14 0.00 1.01 0.00 0.00 58.87 60.80 1slj n SER 31 Cb 0.00 -0.28 0.57 0.00 -1.01 0.00 0.00 64.21 63.48 1slj n SER 31 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1slj h HIS 32 N 0.00 0.00 -0.67 1.43 -0.00 -1.97 -2.63 115.15 111.32 1slj h HIS 32 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 1slj h HIS 32 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 1slj h HIS 32 CO -0.18 0.00 0.17 0.52 -0.00 0.00 0.00 177.93 178.43 1slj h MET 33 N 0.00 1.05 0.00 5.12 0.00 -1.85 -3.40 114.93 115.85 1slj h MET 33 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 59.70 59.46 1slj h MET 33 Cb 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 31.60 31.88 1slj h MET 33 CO 0.00 0.92 0.00 1.28 0.00 0.00 0.00 176.91 179.11 1slj n LEU 34 N -4.24 0.00 -0.34 1.22 7.99 -0.97 -4.95 117.00 115.71 1slj n LEU 34 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 1slj n LEU 34 Cb 0.25 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 1slj n LEU 34 CO 0.42 0.00 0.23 -1.84 -1.51 0.00 0.00 177.39 174.69 1slj n GLU 35 N 0.00 0.00 -1.82 3.23 0.28 -1.24 -4.82 120.64 116.27 1slj n GLU 35 Ca 0.00 -0.68 -0.43 0.00 -0.16 0.00 0.00 57.16 55.89 1slj n GLU 35 Cb 0.00 -0.40 -0.03 0.00 1.43 0.00 0.00 31.44 32.44 1slj n GLU 35 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1slj s GLN 36 N 0.00 3.39 -1.47 3.44 2.00 -1.14 -1.37 119.66 124.52 1slj s GLN 36 Ca 0.00 1.83 0.00 0.00 -2.00 0.00 0.00 55.36 55.19 1slj s GLN 36 Cb 0.00 -4.25 0.00 0.00 0.80 0.00 0.00 33.01 29.56 1slj s GLN 36 CO 0.00 -1.80 0.00 1.17 -0.50 0.00 0.00 175.29 174.16 1slj n LYS 37 N 8.38 -1.12 -4.36 1.67 4.81 -1.26 -4.59 118.16 121.69 1slj n LYS 37 Ca 0.25 0.90 -0.28 0.00 -0.87 0.00 0.00 58.31 58.31 1slj n LYS 37 Cb 0.45 -5.13 -0.13 0.00 0.02 0.00 0.00 35.03 30.24 1slj n LYS 37 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1slj s LYS 38 N -3.94 1.33 1.16 1.64 2.20 -0.47 -5.14 119.74 116.53 1slj s LYS 38 Ca 0.00 -1.30 -0.17 0.00 -0.36 0.00 0.00 55.97 54.14 1slj s LYS 38 Cb 0.00 -1.76 0.27 0.00 -1.51 0.00 0.00 37.83 34.82 1slj s LYS 38 CO 0.00 0.42 1.09 0.00 -0.36 0.00 0.00 175.35 176.49 1slj s ALA 39 N -1.09 0.53 -0.82 3.13 0.00 -1.26 -4.86 121.76 117.40 1slj s ALA 39 Ca 0.12 -0.75 -0.25 0.00 0.00 0.00 0.00 51.96 51.08 1slj s ALA 39 Cb -0.10 -2.97 -0.07 0.00 0.00 0.00 0.00 23.12 19.98 1slj s ALA 39 CO 0.06 -3.48 2.11 -0.80 0.00 0.00 0.00 175.76 173.64 1slj s ASN 40 N -3.66 4.73 0.19 0.00 0.01 -1.25 -4.78 114.94 110.18 1slj s ASN 40 Ca 0.69 -0.25 -0.30 0.00 -0.71 0.00 0.00 52.86 52.29 1slj s ASN 40 Cb -0.13 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 38.90 1slj s ASN 40 CO 0.57 -3.07 1.00 -0.51 -1.51 0.00 0.00 177.10 173.58 1slj s ILE 41 N 11.57 4.10 -0.01 0.60 1.10 -1.26 0.09 121.20 137.39 1slj s ILE 41 Ca 0.78 1.92 0.01 0.00 -0.51 0.00 0.00 60.65 62.85 1slj s ILE 41 Cb -0.10 -4.22 0.00 0.00 0.15 0.00 0.00 42.46 38.29 1slj s ILE 41 CO 0.06 0.38 -0.02 -0.31 -2.11 0.00 0.00 174.94 172.93 1slj s TYR 42 N -0.59 0.21 -0.43 3.50 2.02 0.19 -4.92 117.35 117.33 1slj s TYR 42 Ca 0.45 -0.03 -0.11 0.00 -0.37 0.00 0.00 57.07 57.01 1slj s TYR 42 Cb -0.26 -0.17 0.08 0.00 -0.40 0.00 0.00 41.96 41.20 1slj s TYR 42 CO 0.33 -0.02 0.29 0.21 -1.57 0.00 0.00 175.55 174.79 1slj s LYS 43 N 0.11 2.70 0.28 -0.62 2.36 -1.26 -1.80 119.74 121.51 1slj s LYS 43 Ca -0.01 -1.43 0.05 0.00 -2.55 0.00 0.00 55.97 52.04 1slj s LYS 43 Cb -0.03 -3.87 -0.02 0.00 -1.05 0.00 0.00 37.83 32.86 1slj s LYS 43 CO -0.00 -0.97 0.20 0.41 1.55 0.00 0.00 175.35 176.53 1slj n GLY 44 N 4.99 3.21 3.58 5.54 0.00 -1.10 -4.95 105.19 116.46 1slj n GLY 44 Ca -0.11 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.76 1slj n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1slj s LYS 45 N -3.13 2.07 0.30 1.61 1.02 -1.26 -0.80 119.74 119.56 1slj s LYS 45 Ca 0.28 -1.42 -0.29 0.00 0.02 0.00 0.00 55.97 54.55 1slj s LYS 45 Cb 0.01 -2.08 -0.10 0.00 -0.52 0.00 0.00 37.83 35.14 1slj s LYS 45 CO 0.20 0.39 1.24 0.42 -0.92 0.00 0.00 175.35 176.67 1slj s ILE 46 N -2.10 3.01 0.00 2.17 1.09 -0.30 -1.97 121.20 123.11 1slj s ILE 46 Ca 0.28 1.01 0.00 0.00 -1.10 0.00 0.00 60.65 60.84 1slj s ILE 46 Cb -0.07 -3.64 0.00 0.00 -1.06 0.00 0.00 42.46 37.69 1slj s ILE 46 CO 0.17 0.23 0.00 0.35 -0.10 0.00 0.00 174.94 175.59 1slj n THR 47 N 1.07 0.00 -3.69 2.92 -2.24 0.66 -2.03 114.28 110.96 1slj n THR 47 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1slj n THR 47 Cb 0.43 0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.24 0.16 -0.14 -0.78 3.52 -1.10 -4.93 118.95 114.44 1slj s ARG 48 Ca 0.00 0.62 -0.04 0.00 -0.13 0.00 0.00 55.73 56.18 1slj s ARG 48 Cb 0.00 -0.10 0.05 0.00 -1.56 0.00 0.00 34.95 33.34 1slj s ARG 48 CO 0.00 -0.23 0.09 0.42 -0.81 0.00 0.00 175.30 174.77 1slj s ILE 49 N 1.87 -0.11 -0.10 4.11 1.01 -1.26 0.00 121.20 126.72 1slj s ILE 49 Ca -0.03 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.64 1slj s ILE 49 Cb -0.11 -0.48 -0.00 0.00 0.01 0.00 0.00 42.46 41.88 1slj s ILE 49 CO -0.08 -0.17 -0.23 -1.61 0.00 0.00 0.00 174.94 172.85 1slj s GLU 50 N 2.16 3.01 0.48 2.79 8.01 -1.18 -4.96 118.70 129.01 1slj s GLU 50 Ca 0.03 -0.87 0.27 0.00 0.01 0.00 0.00 54.97 54.42 1slj s GLU 50 Cb -0.15 -2.31 1.08 0.00 -4.31 0.00 0.00 34.13 28.44 1slj s GLU 50 CO -0.08 0.21 1.88 -1.35 0.01 0.00 0.00 175.26 175.94 1slj h PRO 51 N 6.63 0.00 0.00 0.39 0.11 -1.98 0.43 132.00 137.58 1slj h PRO 51 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1slj h PRO 51 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1slj h PRO 51 CO 0.48 0.14 0.00 0.66 -0.21 0.00 0.00 178.00 179.06 1slj h SER 52 N 0.00 0.00 0.00 -2.05 4.64 -1.98 -3.18 113.55 110.99 1slj h SER 52 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1slj h SER 52 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1slj h SER 52 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1slj n LEU 53 N -2.35 0.26 -3.92 5.97 -0.00 -0.90 -5.06 117.00 111.01 1slj n LEU 53 Ca 0.03 -0.42 -0.36 0.00 -0.00 0.00 0.00 56.01 55.26 1slj n LEU 53 Cb 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.73 1slj n LEU 53 CO 0.24 0.07 -0.18 -1.84 -0.00 0.00 0.00 177.39 175.67 1slj n GLU 54 N -0.32 -0.85 -3.68 1.47 0.28 0.14 -4.88 120.64 112.80 1slj n GLU 54 Ca 0.00 0.41 -0.03 0.00 -0.16 0.00 0.00 57.16 57.38 1slj n GLU 54 Cb 0.05 -2.57 -0.01 0.00 1.43 0.00 0.00 31.44 30.33 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 -3.29 -1.84 0.01 -1.84 0.00 -1.24 -2.38 121.76 111.18 1slj s ALA 55 Ca 0.28 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.73 1slj s ALA 55 Cb -0.15 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1slj s ALA 55 CO 0.93 -0.97 -0.06 0.00 0.00 0.00 0.00 175.76 175.66 1slj s ALA 56 N -3.01 0.49 -0.12 0.00 0.00 -0.34 -3.11 121.76 115.68 1slj s ALA 56 Ca 0.11 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 1slj s ALA 56 Cb 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 1slj s ALA 56 CO -0.01 0.08 0.28 -0.06 0.00 0.00 0.00 175.76 176.04 1slj s PHE 57 N -0.47 3.55 -0.17 0.00 0.08 0.10 0.31 117.98 121.38 1slj s PHE 57 Ca -0.01 0.66 -0.04 0.00 0.12 0.00 0.00 56.93 57.65 1slj s PHE 57 Cb -0.04 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.15 1slj s PHE 57 CO -0.00 0.45 -0.02 0.08 -0.10 0.00 0.00 175.22 175.64 1slj s VAL 58 N -0.25 3.99 -0.44 -0.44 1.01 0.27 -0.25 120.40 124.29 1slj s VAL 58 Ca 0.17 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1slj s VAL 58 Cb -0.14 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.51 1slj s VAL 58 CO 0.06 0.47 0.39 -0.62 0.00 0.00 0.00 175.10 175.39 1slj s ASP 59 N 0.59 6.15 -0.56 3.32 -1.08 -0.83 -1.20 116.67 123.06 1slj s ASP 59 Ca -0.01 -0.94 0.07 0.00 -0.52 0.00 0.00 52.55 51.14 1slj s ASP 59 Cb -0.14 -2.19 0.29 0.00 -1.46 0.00 0.00 42.92 39.42 1slj s ASP 59 CO 0.02 -0.57 0.79 0.00 0.52 0.00 0.00 175.17 175.93 1slj n TYR 60 N 5.38 2.93 -3.10 -5.34 4.11 -1.26 -3.98 117.16 115.89 1slj n TYR 60 Ca -0.10 -3.99 -0.22 0.00 -0.00 0.00 0.00 57.90 53.59 1slj n TYR 60 Cb 0.46 -0.49 0.01 0.00 -0.00 0.00 0.00 39.34 39.32 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 0.47 -0.50 3.16 -7.48 0.00 -1.26 -4.96 105.19 94.62 1slj n GLY 61 Ca 0.29 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.00 2.61 0.42 4.61 0.00 -1.26 -4.95 121.76 120.20 1slj s ALA 62 Ca 0.31 -1.47 0.22 0.00 0.00 0.00 0.00 51.96 51.01 1slj s ALA 62 Cb -0.15 -1.58 1.24 0.00 0.00 0.00 0.00 23.12 22.62 1slj s ALA 62 CO 0.38 -0.80 2.03 0.93 0.00 0.00 0.00 175.76 178.29 1slj h GLU 63 N 7.96 0.00 0.00 0.00 3.07 -1.98 -0.15 114.58 123.47 1slj h GLU 63 Ca -0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1slj h GLU 63 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1slj h GLU 63 CO 0.57 0.16 -0.23 0.54 -1.40 0.00 0.00 179.01 178.64 1slj n ARG 64 N -3.92 0.08 0.00 2.33 1.74 -1.26 -5.04 116.66 110.59 1slj n ARG 64 Ca -0.02 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1slj n ARG 64 Cb 0.25 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1slj n ARG 64 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1slj n HIS 65 N -1.71 -0.92 -3.65 -1.55 8.25 -0.07 -4.57 115.22 111.00 1slj n HIS 65 Ca 0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.47 1slj n HIS 65 Cb 0.37 0.19 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 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 -3.70 -0.53 -0.34 -1.41 0.00 -0.34 -4.56 107.32 96.43 1slj s GLY 66 Ca 0.00 1.90 -0.11 0.00 0.00 0.00 0.00 44.72 46.51 1slj s GLY 66 CO 0.00 2.70 0.19 -0.12 0.00 0.00 0.00 173.10 175.87 1slj s PHE 67 N 2.72 3.21 -0.34 1.90 5.36 0.28 0.94 117.98 132.04 1slj s PHE 67 Ca -0.04 -0.69 -0.13 0.00 -0.96 0.00 0.00 56.93 55.11 1slj s PHE 67 Cb -0.12 -2.41 -0.02 0.00 -0.34 0.00 0.00 43.02 40.13 1slj s PHE 67 CO -0.16 -0.53 0.24 -1.17 -1.46 0.00 0.00 175.22 172.15 1slj s LEU 68 N 1.60 4.54 0.44 6.12 0.20 0.15 -2.99 118.68 128.74 1slj s LEU 68 Ca 0.04 -0.44 -0.25 0.00 0.69 0.00 0.00 54.13 54.17 1slj s LEU 68 Cb -0.18 -2.14 -0.08 0.00 -0.43 0.00 0.00 46.19 43.36 1slj s LEU 68 CO 0.07 -0.24 1.31 -2.84 -0.29 0.00 0.00 176.35 174.36 1slj s PRO 69 N 1.72 3.78 0.46 0.98 0.02 -1.26 -1.20 135.00 139.51 1slj s PRO 69 Ca 0.06 2.17 0.22 0.00 0.02 0.00 0.00 61.00 63.46 1slj s PRO 69 Cb -0.17 -2.63 1.14 0.00 0.02 0.00 0.00 34.50 32.85 1slj s PRO 69 CO 0.11 -0.65 1.96 1.25 -0.33 0.00 0.00 177.00 179.34 1slj h LEU 70 N 2.38 0.00 0.00 -5.54 5.85 -1.81 -1.46 115.31 114.73 1slj h LEU 70 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1slj h LEU 70 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1slj h LEU 70 CO 0.61 0.21 0.00 2.29 -0.34 0.00 0.00 178.44 181.21 1slj n LYS 71 N -3.78 0.02 -0.00 1.25 2.85 -1.26 -1.81 118.16 115.42 1slj n LYS 71 Ca -0.02 0.17 0.10 0.00 -1.05 0.00 0.00 58.31 57.52 1slj n LYS 71 Cb 0.31 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.05 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 -1.48 0.33 -1.59 -1.58 -0.58 -0.56 -5.03 120.64 110.15 1slj n GLU 72 Ca 0.05 -0.10 -0.49 0.00 -0.42 0.00 0.00 57.16 56.20 1slj n GLU 72 Cb 0.22 -1.51 -0.04 0.00 -0.57 0.00 0.00 31.44 29.54 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 -1.87 0.71 -3.27 -3.67 2.08 -0.75 -4.69 119.36 107.90 1slj n ILE 73 Ca 0.00 -0.18 -0.31 0.00 0.56 0.00 0.00 62.75 62.82 1slj n ILE 73 Cb 0.45 -0.90 -0.05 0.00 -0.75 0.00 0.00 39.64 38.38 1slj n ILE 73 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1slj s ALA 74 N -0.03 3.48 0.39 -1.39 0.00 -1.26 -4.93 121.76 118.01 1slj s ALA 74 Ca 0.75 -0.21 0.35 0.00 0.00 0.00 0.00 51.96 52.85 1slj s ALA 74 Cb -0.85 -2.54 1.73 0.00 0.00 0.00 0.00 23.12 21.46 1slj s ALA 74 CO 0.51 0.37 2.14 -0.09 0.00 0.00 0.00 175.76 178.69 1slj h ARG 75 N 2.22 0.00 0.00 0.00 1.12 -1.85 -1.02 114.38 114.86 1slj h ARG 75 Ca -0.47 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.40 1slj h ARG 75 Cb 1.17 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.13 1slj h ARG 75 CO 0.67 0.04 0.00 -1.91 -3.11 0.00 0.00 179.97 175.67 1slj n GLU 76 N -3.28 0.23 -0.07 0.20 4.07 -1.26 -3.55 120.64 116.98 1slj n GLU 76 Ca -0.01 0.35 -0.11 0.00 -0.06 0.00 0.00 57.16 57.32 1slj n GLU 76 Cb 0.21 -1.86 -0.09 0.00 -0.06 0.00 0.00 31.44 29.63 1slj n GLU 76 CO 0.00 0.00 0.00 1.88 -0.06 0.00 0.00 177.13 178.95 1slj h TYR 77 N 0.00 0.00 -3.49 4.31 0.05 -1.52 -3.40 116.97 112.92 1slj h TYR 77 Ca 0.00 0.00 -0.70 0.00 0.05 0.00 0.00 58.73 58.08 1slj h TYR 77 Cb 0.52 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.07 1slj h TYR 77 CO 0.00 0.79 -0.18 -0.59 -1.05 0.00 0.00 178.16 177.13 1slj s PHE 78 N -2.09 3.16 0.15 4.88 -0.71 -1.23 -4.64 117.98 117.49 1slj s PHE 78 Ca -0.16 -0.43 -0.31 0.00 -1.04 0.00 0.00 56.93 54.98 1slj s PHE 78 Cb -0.01 -3.00 -0.18 0.00 -1.21 0.00 0.00 43.02 38.63 1slj s PHE 78 CO 0.50 -0.75 0.70 -0.35 -1.34 0.00 0.00 175.22 173.98 1slj n PRO 79 N 5.65 0.08 0.23 1.99 -0.04 -1.26 -4.67 135.00 136.98 1slj n PRO 79 Ca -0.07 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1slj n PRO 79 Cb 0.47 -1.19 0.39 0.00 -0.04 0.00 0.00 33.50 33.13 1slj n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1slj h ALA 80 N 1.64 1.38 -0.00 0.55 0.00 -1.89 0.83 119.26 121.77 1slj h ALA 80 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1slj h ALA 80 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1slj h ALA 80 CO 0.60 -0.38 -0.13 0.09 0.00 0.00 0.00 179.25 179.43 1slj n ASN 81 N -2.30 0.27 -4.81 0.00 4.13 -1.26 -4.79 115.26 106.51 1slj n ASN 81 Ca -0.01 -0.16 -0.37 0.00 1.68 0.00 0.00 54.58 55.73 1slj n ASN 81 Cb 0.49 -0.17 -0.06 0.00 -1.54 0.00 0.00 39.78 38.50 1slj n ASN 81 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1slj s TYR 82 N -2.72 3.68 -0.71 3.10 5.04 0.29 -5.00 117.35 121.03 1slj s TYR 82 Ca 0.22 1.46 -0.27 0.00 -2.44 0.00 0.00 57.07 56.04 1slj s TYR 82 Cb 0.19 -2.67 0.02 0.00 0.35 0.00 0.00 41.96 39.86 1slj s TYR 82 CO 0.52 0.34 1.35 -1.54 -1.34 0.00 0.00 175.55 174.88 1slj s SER 83 N -1.59 6.08 -0.23 4.32 1.04 -1.26 -4.95 113.70 117.10 1slj s SER 83 Ca 0.43 -0.29 -0.28 0.00 0.48 0.00 0.00 55.95 56.29 1slj s SER 83 Cb -0.18 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.40 1slj s SER 83 CO 0.22 -1.87 0.99 0.00 0.98 0.00 0.00 173.24 173.56 1slj s ALA 84 N 6.08 3.68 -0.23 5.32 0.00 -1.26 -5.01 121.76 130.33 1slj s ALA 84 Ca 0.40 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 1slj s ALA 84 Cb -0.09 -3.49 0.08 0.00 0.00 0.00 0.00 23.12 19.62 1slj s ALA 84 CO 0.17 -1.01 0.10 -3.38 0.00 0.00 0.00 175.76 171.63 1slj s HIS 85 N 3.10 0.44 0.00 0.00 -3.43 -1.26 -5.00 115.29 109.14 1slj s HIS 85 Ca 0.42 -0.69 0.00 0.00 -0.80 0.00 0.00 55.06 53.99 1slj s HIS 85 Cb -0.15 -0.88 0.00 0.00 -1.43 0.00 0.00 32.58 30.12 1slj s HIS 85 CO 0.06 -0.67 0.00 0.41 -2.00 0.00 0.00 174.74 172.54 1slj n GLY 86 N 5.21 2.05 2.85 -1.38 0.00 -1.26 -4.67 105.19 107.98 1slj n GLY 86 Ca -0.07 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 0.22 0.75 1.61 1.04 -1.26 -5.15 118.95 116.16 1slj s ARG 87 Ca 0.00 0.03 -0.15 0.00 -1.04 0.00 0.00 55.73 54.57 1slj s ARG 87 Cb 0.00 -0.35 0.04 0.00 -2.04 0.00 0.00 34.95 32.61 1slj s ARG 87 CO 0.00 -0.07 1.22 -0.35 -0.04 0.00 0.00 175.30 176.05 1slj n PRO 88 N 3.74 0.54 -3.66 3.89 -0.04 -1.26 -5.02 135.00 133.19 1slj n PRO 88 Ca -0.22 0.25 -0.39 0.00 -0.04 0.00 0.00 63.50 63.10 1slj n PRO 88 Cb 0.53 -2.46 -0.12 0.00 -0.04 0.00 0.00 33.50 31.42 1slj n PRO 88 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1slj s ASN 89 N -1.82 5.53 0.31 3.54 2.47 -1.26 -4.91 114.94 118.80 1slj s ASN 89 Ca 0.77 -0.95 0.01 0.00 0.42 0.00 0.00 52.86 53.10 1slj s ASN 89 Cb -0.33 -1.96 0.50 0.00 -1.45 0.00 0.00 41.25 38.01 1slj s ASN 89 CO 0.47 -0.33 1.89 -0.29 -3.72 0.00 0.00 177.10 175.12 1slj h ILE 90 N 5.93 1.20 0.00 -5.21 2.10 -1.92 0.43 117.51 120.05 1slj h ILE 90 Ca -0.26 -0.67 0.00 0.00 1.08 0.00 0.00 64.86 65.01 1slj h ILE 90 Cb 1.10 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 37.44 1slj h ILE 90 CO 0.64 0.26 0.00 0.29 -1.08 0.00 0.00 178.15 178.25 1slj n LYS 91 N -4.32 0.16 -0.39 2.19 4.76 -1.26 -1.04 118.16 118.26 1slj n LYS 91 Ca 0.04 0.18 0.07 0.00 -2.87 0.00 0.00 58.31 55.73 1slj n LYS 91 Cb 0.18 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 31.99 1slj n LYS 91 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1slj n ASP 92 N -1.28 1.64 0.03 4.39 8.00 0.14 -4.79 116.55 124.69 1slj n ASP 92 Ca 0.05 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.59 1slj n ASP 92 Cb 0.09 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 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 -0.92 0.54 -4.21 2.53 0.31 -0.20 -4.85 118.33 111.52 1slj n VAL 93 Ca 0.13 0.18 -0.23 0.00 -0.01 0.00 0.00 64.34 64.40 1slj n VAL 93 Cb 0.71 -1.44 -0.06 0.00 -0.91 0.00 0.00 33.84 32.13 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 -6.44 3.45 -0.07 7.52 1.43 -0.33 -3.83 118.68 120.41 1slj s LEU 94 Ca 0.00 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 1slj s LEU 94 Cb 0.00 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.25 1slj s LEU 94 CO 0.00 0.01 0.35 0.00 0.23 0.00 0.00 176.35 176.94 1slj s ARG 95 N -3.57 0.60 -0.09 1.70 3.03 -1.26 -4.74 118.95 114.61 1slj s ARG 95 Ca 0.31 0.12 -0.34 0.00 2.03 0.00 0.00 55.73 57.85 1slj s ARG 95 Cb -0.08 0.27 -0.11 0.00 -1.03 0.00 0.00 34.95 34.01 1slj s ARG 95 CO 0.21 -0.14 1.91 0.39 -1.13 0.00 0.00 175.30 176.55 1slj n GLU 96 N 1.89 2.22 0.00 3.89 1.02 -1.26 -0.71 120.64 127.69 1slj n GLU 96 Ca -0.18 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1slj n GLU 96 Cb 0.57 -2.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 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 4.53 2.08 3.76 0.62 0.00 -0.86 -4.94 105.19 110.38 1slj n GLY 97 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 4.67 0.42 1.61 0.74 0.11 -4.80 119.66 122.02 1slj s GLN 98 Ca 0.00 1.29 -0.08 0.00 0.05 0.00 0.00 55.36 56.62 1slj s GLN 98 Cb 0.00 -3.30 -0.05 0.00 1.10 0.00 0.00 33.01 30.76 1slj s GLN 98 CO 0.00 0.47 0.74 -1.83 -0.55 0.00 0.00 175.29 174.12 1slj s GLU 99 N -0.86 3.67 0.01 1.67 -1.05 -1.26 -1.15 118.70 119.72 1slj s GLU 99 Ca 0.39 0.30 -0.01 0.00 -0.15 0.00 0.00 54.97 55.49 1slj s GLU 99 Cb -0.24 -2.42 -0.01 0.00 -0.44 0.00 0.00 34.13 31.02 1slj s GLU 99 CO 0.28 -0.06 0.02 0.14 0.95 0.00 0.00 175.26 176.58 1slj s VAL 100 N -2.47 0.07 -0.41 1.83 -7.23 0.02 -4.93 120.40 107.29 1slj s VAL 100 Ca 0.49 -0.61 -0.15 0.00 -1.81 0.00 0.00 61.98 59.90 1slj s VAL 100 Cb -0.10 -0.23 0.02 0.00 0.56 0.00 0.00 36.38 36.63 1slj s VAL 100 CO 0.36 -0.33 0.31 -0.63 -0.31 0.00 0.00 175.10 174.50 1slj s ILE 101 N -1.01 5.24 -0.08 -0.62 -1.09 -1.26 -2.71 121.20 119.67 1slj s ILE 101 Ca -0.11 -0.60 -0.04 0.00 -2.23 0.00 0.00 60.65 57.67 1slj s ILE 101 Cb -0.07 -3.93 0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1slj s ILE 101 CO -0.00 -0.31 0.18 0.68 -1.23 0.00 0.00 174.94 174.26 1slj s VAL 102 N 1.74 -0.03 -0.14 2.92 -7.23 -0.75 -4.85 120.40 112.06 1slj s VAL 102 Ca 0.06 0.13 -0.04 0.00 -1.81 0.00 0.00 61.98 60.32 1slj s VAL 102 Cb -0.19 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 1slj s VAL 102 CO 0.10 0.05 -0.00 0.00 -0.31 0.00 0.00 175.10 174.95 1slj s GLN 103 N 0.93 3.53 -0.50 4.82 -2.07 -1.26 0.56 119.66 125.67 1slj s GLN 103 Ca -0.07 -0.44 -0.27 0.00 -1.82 0.00 0.00 55.36 52.76 1slj s GLN 103 Cb -0.09 -2.95 -0.03 0.00 -1.09 0.00 0.00 33.01 28.85 1slj s GLN 103 CO -0.05 0.40 1.96 0.42 -1.32 0.00 0.00 175.29 176.70 1slj s ILE 104 N -0.03 3.31 0.01 3.63 -1.09 0.11 -2.46 121.20 124.67 1slj s ILE 104 Ca 0.03 0.23 -0.11 0.00 -2.23 0.00 0.00 60.65 58.57 1slj s ILE 104 Cb -0.13 -3.65 -0.32 0.00 -1.58 0.00 0.00 42.46 36.78 1slj s ILE 104 CO 0.02 -0.57 0.90 -0.78 -1.23 0.00 0.00 174.94 173.27 1slj h ASP 105 N 15.30 0.66 -3.60 3.58 1.82 -1.80 -3.31 116.42 129.08 1slj h ASP 105 Ca -0.28 -0.80 -0.68 0.00 -0.39 0.00 0.00 57.03 54.88 1slj h ASP 105 Cb 1.19 -0.21 -0.30 0.00 0.68 0.00 0.00 39.33 40.68 1slj h ASP 105 CO 1.15 1.65 -0.84 -0.54 -1.61 0.00 0.00 179.24 179.05 1slj s LYS 106 N -2.60 2.95 0.22 0.28 1.02 -1.24 -5.04 119.74 115.32 1slj s LYS 106 Ca -0.10 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.12 1slj s LYS 106 Cb 0.05 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1slj s LYS 106 CO 0.90 0.29 0.27 -1.21 -0.92 0.00 0.00 175.35 174.68 1slj s GLU 107 N 0.09 3.23 -0.20 1.68 2.02 -1.24 -1.18 118.70 123.10 1slj s GLU 107 Ca -0.09 -0.83 -0.36 0.00 0.02 0.00 0.00 54.97 53.71 1slj s GLU 107 Cb -0.15 -2.78 -0.12 0.00 0.10 0.00 0.00 34.13 31.17 1slj s GLU 107 CO 0.06 0.44 1.93 -1.91 0.02 0.00 0.00 175.26 175.80 1slj n GLU 108 N -1.08 1.66 -0.45 1.61 0.00 -1.03 -4.36 120.64 117.00 1slj n GLU 108 Ca -0.08 0.58 0.00 0.00 0.00 0.00 0.00 57.16 57.66 1slj n GLU 108 Cb 0.56 -2.49 0.00 0.00 0.00 0.00 0.00 31.44 29.52 1slj n GLU 108 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1slj n ARG 109 N 6.76 0.00 0.00 5.31 1.85 -1.26 -4.90 116.66 124.42 1slj n ARG 109 Ca 0.28 -0.76 0.00 0.00 -1.00 0.00 0.00 57.85 56.37 1slj n ARG 109 Cb 0.24 -0.40 0.00 0.00 -1.05 0.00 0.00 32.46 31.25 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 0.00 1.89 0.09 2.89 0.00 -1.26 -4.78 105.19 104.01 1slj n GLY 110 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.09 0.00 1.61 4.21 -1.95 -3.41 115.58 115.96 1slj h ASN 111 Ca 0.00 -0.37 0.00 0.00 1.21 0.00 0.00 56.30 57.14 1slj h ASN 111 Cb 0.00 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1slj h ASN 111 CO 0.00 0.34 -0.75 0.29 -1.29 0.00 0.00 177.43 176.02 1slj n LYS 112 N -4.94 0.32 0.00 0.81 5.02 -1.26 -5.12 118.16 112.99 1slj n LYS 112 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1slj n LYS 112 Cb 0.23 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 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 2.93 0.95 3.53 0.72 0.00 -1.26 -4.77 105.19 107.28 1slj n GLY 113 Ca 0.00 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 2.85 -0.21 4.61 0.00 -1.26 -2.46 121.76 123.29 1slj s ALA 114 Ca 0.00 -2.00 -0.16 0.00 0.00 0.00 0.00 51.96 49.80 1slj s ALA 114 Cb 0.00 -4.31 -0.04 0.00 0.00 0.00 0.00 23.12 18.77 1slj s ALA 114 CO 0.00 -3.35 0.39 0.00 0.00 0.00 0.00 175.76 172.81 1slj s ALA 115 N 4.83 3.56 -0.02 0.00 0.00 -0.32 -0.56 121.76 129.24 1slj s ALA 115 Ca 0.38 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.61 1slj s ALA 115 Cb -0.05 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 1slj s ALA 115 CO 0.00 -0.32 0.51 -0.51 0.00 0.00 0.00 175.76 175.44 1slj s LEU 116 N 1.35 4.41 0.43 0.00 1.43 -1.16 -2.39 118.68 122.75 1slj s LEU 116 Ca 0.19 1.04 0.05 0.00 -1.03 0.00 0.00 54.13 54.37 1slj s LEU 116 Cb -0.15 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.30 1slj s LEU 116 CO 0.08 0.16 0.60 0.28 0.23 0.00 0.00 176.35 177.70 1slj s THR 117 N -0.34 3.43 -0.09 5.49 -1.32 -1.03 -4.70 115.64 117.08 1slj s THR 117 Ca 0.28 -0.84 0.14 0.00 -1.21 0.00 0.00 61.69 60.05 1slj s THR 117 Cb -0.17 -3.21 0.21 0.00 -1.51 0.00 0.00 72.50 67.82 1slj s THR 117 CO 0.15 -0.11 1.11 0.35 -2.21 0.00 0.00 174.62 173.91 1slj n THR 118 N -1.93 1.38 -1.18 5.08 -2.24 -1.26 -4.34 114.28 109.78 1slj n THR 118 Ca 0.04 -1.65 -0.24 0.00 -2.27 0.00 0.00 64.05 59.93 1slj n THR 118 Cb 0.59 -0.03 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.05 1.08 -4.54 4.78 3.72 -1.26 -4.76 117.46 115.44 1slj n PHE 119 Ca 0.12 -2.17 -0.26 0.00 -0.05 0.00 0.00 57.45 55.08 1slj n PHE 119 Cb 0.65 -1.94 -0.09 0.00 -0.94 0.00 0.00 39.48 37.17 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 1.20 0.88 -1.02 4.37 1.09 -1.26 -5.01 121.20 121.44 1slj s ILE 120 Ca 0.67 -2.00 0.00 0.00 -1.10 0.00 0.00 60.65 58.22 1slj s ILE 120 Cb 0.27 -2.45 0.00 0.00 -1.06 0.00 0.00 42.46 39.22 1slj s ILE 120 CO -0.04 0.00 0.18 -1.20 -0.10 0.00 0.00 174.94 173.78 1slj n SER 121 N -1.14 0.33 -4.13 3.58 7.64 -1.26 -4.55 113.62 114.10 1slj n SER 121 Ca -0.07 -0.69 -0.34 0.00 1.01 0.00 0.00 58.87 58.78 1slj n SER 121 Cb 0.66 -0.17 -0.14 0.00 -1.01 0.00 0.00 64.21 63.55 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 -0.02 4.23 0.00 -3.43 1.02 -1.26 -4.81 118.68 114.41 1slj s LEU 122 Ca 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 54.13 52.58 1slj s LEU 122 Cb 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.51 1slj s LEU 122 CO 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 176.35 176.04 1slj n ALA 123 N 4.54 0.00 -1.49 4.21 0.00 -1.26 -4.38 120.51 122.13 1slj n ALA 123 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 1slj n ALA 123 Cb 0.43 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.97 1slj n ALA 123 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1slj s GLY 124 N 0.00 1.63 0.00 0.00 0.00 -1.26 -4.73 107.32 102.95 1slj s GLY 124 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.56 1slj s GLY 124 CO 0.00 0.27 0.18 1.44 0.00 0.00 0.00 173.10 174.99