#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 2.23 -2.70 1.61 7.64 -1.26 -4.86 113.62 116.27 1slj n SER 31 Ca 0.00 -3.16 -0.06 0.00 1.01 0.00 0.00 58.87 56.66 1slj n SER 31 Cb 0.00 -0.64 0.09 0.00 -1.01 0.00 0.00 64.21 62.65 1slj n SER 31 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1slj n HIS 32 N 0.79 -0.97 -0.03 1.43 -0.00 -1.26 -4.79 115.22 110.39 1slj n HIS 32 Ca 0.26 -2.18 -0.21 0.00 0.46 0.00 0.00 57.72 56.05 1slj n HIS 32 Cb 0.48 0.82 -0.13 0.00 -0.12 0.00 0.00 29.99 31.05 1slj n HIS 32 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 1slj h MET 33 N 2.23 0.16 0.00 1.57 2.86 -2.04 -3.47 114.93 116.23 1slj h MET 33 Ca -0.24 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1slj h MET 33 Cb 1.26 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1slj h MET 33 CO 0.11 1.13 0.00 1.28 1.06 0.00 0.00 176.91 180.49 1slj n LEU 34 N -3.97 0.00 0.00 1.22 4.77 -1.26 -5.13 117.00 112.62 1slj n LEU 34 Ca -0.30 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.57 1slj n LEU 34 Cb 0.86 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.91 1slj n LEU 34 CO 0.33 -0.28 -0.06 1.21 -1.33 0.00 0.00 177.39 177.27 1slj n GLU 35 N -1.84 0.26 -3.97 3.23 0.00 -1.26 -4.69 120.64 112.37 1slj n GLU 35 Ca 0.00 -1.88 -0.31 0.00 0.00 0.00 0.00 57.16 54.98 1slj n GLU 35 Cb 0.00 1.50 -0.15 0.00 0.00 0.00 0.00 31.44 32.79 1slj n GLU 35 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1slj s GLN 36 N -2.77 1.36 -1.63 5.31 -0.21 -1.26 -4.59 119.66 115.86 1slj s GLN 36 Ca 0.22 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 53.90 1slj s GLN 36 Cb 0.01 -2.96 0.00 0.00 1.00 0.00 0.00 33.01 31.06 1slj s GLN 36 CO 0.15 -0.93 0.00 1.63 -2.12 0.00 0.00 175.29 174.02 1slj n LYS 37 N 4.38 -1.08 -4.29 2.91 5.02 -1.26 -4.98 118.16 118.86 1slj n LYS 37 Ca 0.02 1.04 -0.16 0.00 -2.02 0.00 0.00 58.31 57.19 1slj n LYS 37 Cb 0.42 -5.20 -0.10 0.00 -0.02 0.00 0.00 35.03 30.13 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 -3.34 1.21 1.08 1.97 2.20 -1.26 -5.16 119.74 116.44 1slj s LYS 38 Ca 0.00 -1.57 -0.16 0.00 -0.36 0.00 0.00 55.97 53.87 1slj s LYS 38 Cb 0.00 -0.62 0.23 0.00 -1.51 0.00 0.00 37.83 35.93 1slj s LYS 38 CO 0.00 -0.01 1.16 0.00 -0.36 0.00 0.00 175.35 176.13 1slj s ALA 39 N -3.37 1.17 0.02 3.13 0.00 -1.26 -4.58 121.76 116.87 1slj s ALA 39 Ca 0.23 -0.85 -0.34 0.00 0.00 0.00 0.00 51.96 51.00 1slj s ALA 39 Cb 0.04 -2.92 -0.12 0.00 0.00 0.00 0.00 23.12 20.12 1slj s ALA 39 CO 0.05 -3.04 1.77 -1.71 0.00 0.00 0.00 175.76 172.83 1slj n ASN 40 N -4.32 3.39 -4.87 0.00 5.15 -1.26 -4.61 115.26 108.75 1slj n ASN 40 Ca 0.11 1.01 -0.35 0.00 -0.60 0.00 0.00 54.58 54.75 1slj n ASN 40 Cb 0.59 -1.41 -0.05 0.00 -0.53 0.00 0.00 39.78 38.38 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 2.86 5.17 -0.04 -1.44 1.10 -1.26 -3.94 121.20 123.64 1slj s ILE 41 Ca 0.87 0.39 0.05 0.00 -0.51 0.00 0.00 60.65 61.44 1slj s ILE 41 Cb -0.66 -3.62 -0.00 0.00 0.15 0.00 0.00 42.46 38.32 1slj s ILE 41 CO 0.45 0.35 -0.18 -0.31 -2.11 0.00 0.00 174.94 173.14 1slj s TYR 42 N -1.33 1.80 -0.50 3.50 2.02 0.19 -4.92 117.35 118.11 1slj s TYR 42 Ca 0.30 -0.51 -0.16 0.00 -0.37 0.00 0.00 57.07 56.32 1slj s TYR 42 Cb -0.14 -1.21 0.09 0.00 -0.40 0.00 0.00 41.96 40.30 1slj s TYR 42 CO 0.17 -0.17 0.48 0.21 -1.57 0.00 0.00 175.55 174.66 1slj s LYS 43 N -0.00 3.01 0.25 -0.62 2.20 -1.25 -0.46 119.74 122.86 1slj s LYS 43 Ca -0.03 -1.36 0.08 0.00 -0.36 0.00 0.00 55.97 54.29 1slj s LYS 43 Cb -0.12 -4.18 -0.05 0.00 -1.51 0.00 0.00 37.83 31.98 1slj s LYS 43 CO 0.02 -1.16 -0.12 0.20 -0.36 0.00 0.00 175.35 173.93 1slj s GLY 44 N 2.92 1.67 0.31 5.54 0.00 -0.84 -4.89 107.32 112.03 1slj s GLY 44 Ca 0.06 -1.80 -0.01 0.00 0.00 0.00 0.00 44.72 42.97 1slj s GLY 44 CO 0.07 -1.83 0.52 0.54 0.00 0.00 0.00 173.10 172.39 1slj s LYS 45 N -3.65 3.52 0.14 2.90 1.02 -1.26 -0.28 119.74 122.13 1slj s LYS 45 Ca 0.27 -0.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.68 1slj s LYS 45 Cb 0.00 -2.69 -0.07 0.00 -0.52 0.00 0.00 37.83 34.55 1slj s LYS 45 CO 0.10 0.21 1.15 0.42 -0.92 0.00 0.00 175.35 176.31 1slj s ILE 46 N -2.19 3.88 -0.00 2.17 1.09 0.69 -2.66 121.20 124.16 1slj s ILE 46 Ca 0.40 1.51 0.03 0.00 -1.10 0.00 0.00 60.65 61.49 1slj s ILE 46 Cb -0.10 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.29 1slj s ILE 46 CO 0.34 0.21 0.06 0.35 -0.10 0.00 0.00 174.94 175.79 1slj n THR 47 N 2.92 0.00 -3.67 2.92 -2.24 0.55 0.79 114.28 115.55 1slj n THR 47 Ca 0.05 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1slj n THR 47 Cb 0.46 0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.18 0.15 -0.24 -0.78 3.52 -1.17 -4.94 118.95 113.30 1slj s ARG 48 Ca -0.01 0.71 0.01 0.00 -0.13 0.00 0.00 55.73 56.31 1slj s ARG 48 Cb 0.02 -0.06 0.06 0.00 -1.56 0.00 0.00 34.95 33.41 1slj s ARG 48 CO 0.11 -0.27 -0.04 0.42 -0.81 0.00 0.00 175.30 174.71 1slj s ILE 49 N 2.25 1.51 -0.40 4.11 1.01 -1.26 0.29 121.20 128.71 1slj s ILE 49 Ca -0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 60.65 59.27 1slj s ILE 49 Cb -0.12 -1.82 0.05 0.00 0.01 0.00 0.00 42.46 40.59 1slj s ILE 49 CO -0.08 -0.16 0.25 -0.70 0.00 0.00 0.00 174.94 174.25 1slj s GLU 50 N 1.39 2.77 0.34 2.79 2.56 -1.17 -4.96 118.70 122.42 1slj s GLU 50 Ca -0.04 -1.24 0.07 0.00 0.00 0.00 0.00 54.97 53.76 1slj s GLU 50 Cb -0.19 -3.81 0.76 0.00 2.00 0.00 0.00 34.13 32.90 1slj s GLU 50 CO -0.07 -0.83 1.86 -1.35 -0.56 0.00 0.00 175.26 174.30 1slj h PRO 51 N 8.47 0.74 0.00 4.30 0.11 -1.99 -1.49 132.00 142.14 1slj h PRO 51 Ca -0.25 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1slj h PRO 51 Cb 1.10 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1slj h PRO 51 CO 0.73 0.49 -0.02 1.03 -0.21 0.00 0.00 178.00 180.01 1slj h SER 52 N 0.76 0.00 0.00 -2.05 0.87 -1.97 -2.62 113.55 108.54 1slj h SER 52 Ca 0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1slj h SER 52 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1slj h SER 52 CO -0.23 0.02 0.00 0.00 -0.53 0.00 0.00 176.83 176.09 1slj n LEU 53 N -3.36 1.50 -4.08 2.23 -0.00 -0.64 -5.03 117.00 107.61 1slj n LEU 53 Ca -0.02 -1.50 -0.46 0.00 -0.00 0.00 0.00 56.01 54.03 1slj n LEU 53 Cb 0.14 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.57 1slj n LEU 53 CO 0.25 0.37 -0.17 -1.84 -0.00 0.00 0.00 177.39 176.00 1slj n GLU 54 N -0.34 -0.24 -3.50 1.47 0.28 -0.73 -4.86 120.64 112.72 1slj n GLU 54 Ca 0.00 0.04 -0.10 0.00 -0.16 0.00 0.00 57.16 56.95 1slj n GLU 54 Cb 0.25 -2.30 -0.03 0.00 1.43 0.00 0.00 31.44 30.80 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 -3.57 -1.79 0.04 -1.84 0.00 -1.25 -1.42 121.76 111.93 1slj s ALA 55 Ca 0.47 0.99 0.08 0.00 0.00 0.00 0.00 51.96 53.50 1slj s ALA 55 Cb -0.26 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1slj s ALA 55 CO 0.94 -0.65 -0.23 0.00 0.00 0.00 0.00 175.76 175.83 1slj s ALA 56 N -2.93 1.94 -0.10 0.00 0.00 -0.20 -3.02 121.76 117.46 1slj s ALA 56 Ca 0.03 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 1slj s ALA 56 Cb -0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 1slj s ALA 56 CO -0.08 0.45 0.26 -0.06 0.00 0.00 0.00 175.76 176.33 1slj s PHE 57 N -0.79 3.60 -0.10 0.00 0.08 0.15 -0.49 117.98 120.42 1slj s PHE 57 Ca 0.09 0.68 0.04 0.00 0.12 0.00 0.00 56.93 57.86 1slj s PHE 57 Cb -0.09 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 1slj s PHE 57 CO 0.02 0.57 -0.23 0.08 -0.10 0.00 0.00 175.22 175.55 1slj s VAL 58 N -0.61 2.01 -0.36 -0.44 1.01 0.98 -0.33 120.40 122.65 1slj s VAL 58 Ca 0.18 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 1slj s VAL 58 Cb -0.14 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.51 1slj s VAL 58 CO 0.07 0.55 0.22 -0.62 0.00 0.00 0.00 175.10 175.32 1slj s ASP 59 N 0.39 5.85 -0.54 3.32 2.15 -1.09 -0.47 116.67 126.28 1slj s ASP 59 Ca -0.18 -0.73 0.07 0.00 0.43 0.00 0.00 52.55 52.14 1slj s ASP 59 Cb -0.18 -2.07 0.27 0.00 -0.30 0.00 0.00 42.92 40.64 1slj s ASP 59 CO 0.08 -0.32 0.72 0.00 -0.17 0.00 0.00 175.17 175.48 1slj n TYR 60 N 5.05 2.37 -3.92 -5.34 4.11 -1.26 -4.36 117.16 113.82 1slj n TYR 60 Ca -0.12 -3.95 -0.30 0.00 -0.00 0.00 0.00 57.90 53.53 1slj n TYR 60 Cb 0.48 -0.48 0.02 0.00 -0.00 0.00 0.00 39.34 39.36 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 0.76 -0.47 3.39 -7.48 0.00 -1.26 -4.97 105.19 95.16 1slj n GLY 61 Ca 0.27 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.35 2.39 -0.12 4.61 0.00 -1.26 -5.04 121.76 118.99 1slj s ALA 62 Ca 0.59 -1.36 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 1slj s ALA 62 Cb -0.30 -0.48 -0.22 0.00 0.00 0.00 0.00 23.12 22.12 1slj s ALA 62 CO 0.84 0.55 0.74 0.93 0.00 0.00 0.00 175.76 178.82 1slj h GLU 63 N 4.24 -0.01 -4.78 0.00 4.39 -1.98 -3.40 114.58 113.04 1slj h GLU 63 Ca -0.49 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 58.51 1slj h GLU 63 Cb 1.16 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.62 1slj h GLU 63 CO 0.42 0.81 -0.11 1.03 -1.16 0.00 0.00 179.01 180.00 1slj s ARG 64 N -2.41 3.08 0.63 2.33 1.81 -1.26 -5.05 118.95 118.08 1slj s ARG 64 Ca -0.16 -0.96 -0.18 0.00 -1.72 0.00 0.00 55.73 52.70 1slj s ARG 64 Cb -0.02 -4.07 -0.02 0.00 -0.45 0.00 0.00 34.95 30.39 1slj s ARG 64 CO 0.61 -1.08 1.28 -1.01 -0.68 0.00 0.00 175.30 174.41 1slj s HIS 65 N 2.26 2.17 -0.24 -0.53 3.76 -1.26 -4.03 115.29 117.42 1slj s HIS 65 Ca 0.12 1.49 -0.28 0.00 -0.15 0.00 0.00 55.06 56.23 1slj s HIS 65 Cb -0.20 -3.65 -0.04 0.00 1.11 0.00 0.00 32.58 29.80 1slj s HIS 65 CO 0.11 -2.75 2.11 0.20 -0.85 0.00 0.00 174.74 173.56 1slj s GLY 66 N -1.42 0.60 -0.54 -2.22 0.00 0.38 -4.35 107.32 99.77 1slj s GLY 66 Ca 0.81 0.67 -0.17 0.00 0.00 0.00 0.00 44.72 46.03 1slj s GLY 66 CO 0.38 3.66 0.53 -0.12 0.00 0.00 0.00 173.10 177.56 1slj s PHE 67 N 7.87 3.20 -0.35 1.90 5.36 0.40 -0.02 117.98 136.34 1slj s PHE 67 Ca 0.95 -1.18 -0.19 0.00 -0.96 0.00 0.00 56.93 55.55 1slj s PHE 67 Cb -0.31 -3.78 -0.00 0.00 -0.34 0.00 0.00 43.02 38.59 1slj s PHE 67 CO 0.35 -1.05 0.58 -1.17 -1.46 0.00 0.00 175.22 172.46 1slj s LEU 68 N 1.83 4.29 0.38 6.12 0.20 0.35 -3.88 118.68 127.97 1slj s LEU 68 Ca 0.05 0.09 -0.27 0.00 0.69 0.00 0.00 54.13 54.69 1slj s LEU 68 Cb -0.28 -2.69 -0.10 0.00 -0.43 0.00 0.00 46.19 42.69 1slj s LEU 68 CO 0.04 -0.53 1.37 -2.84 -0.29 0.00 0.00 176.35 174.10 1slj s PRO 69 N 2.55 4.10 0.34 0.98 0.02 -1.26 -1.03 135.00 140.69 1slj s PRO 69 Ca 0.22 2.32 0.04 0.00 0.02 0.00 0.00 61.00 63.60 1slj s PRO 69 Cb -0.15 -2.91 0.61 0.00 0.02 0.00 0.00 34.50 32.08 1slj s PRO 69 CO 0.14 -0.44 1.90 1.25 -0.33 0.00 0.00 177.00 179.52 1slj h LEU 70 N 2.95 0.55 -1.22 -5.54 5.85 -1.57 -2.15 115.31 114.17 1slj h LEU 70 Ca -0.50 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1slj h LEU 70 Cb 1.24 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1slj h LEU 70 CO 0.64 0.56 0.00 2.29 -0.34 0.00 0.00 178.44 181.59 1slj n LYS 71 N -4.32 0.16 -0.00 1.25 2.85 -1.26 -0.65 118.16 116.19 1slj n LYS 71 Ca 0.02 0.57 0.11 0.00 -1.05 0.00 0.00 58.31 57.96 1slj n LYS 71 Cb 0.20 -1.94 -0.12 0.00 -0.65 0.00 0.00 35.03 32.52 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 -2.26 0.29 -1.59 -1.58 -0.58 -0.82 -5.02 120.64 109.08 1slj n GLU 72 Ca -0.00 -0.08 -0.49 0.00 -0.42 0.00 0.00 57.16 56.17 1slj n GLU 72 Cb 0.09 -1.52 -0.04 0.00 -0.57 0.00 0.00 31.44 29.40 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 -1.85 0.81 -3.19 -3.67 5.41 0.18 -4.70 119.36 112.35 1slj n ILE 73 Ca 0.01 -0.20 -0.35 0.00 1.00 0.00 0.00 62.75 63.21 1slj n ILE 73 Cb 0.44 -0.93 -0.06 0.00 -0.71 0.00 0.00 39.64 38.38 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 -0.10 3.43 -0.46 -1.39 0.00 -1.26 -4.93 121.76 117.05 1slj s ALA 74 Ca 0.74 0.04 0.17 0.00 0.00 0.00 0.00 51.96 52.90 1slj s ALA 74 Cb -0.83 -2.72 0.87 0.00 0.00 0.00 0.00 23.12 20.44 1slj s ALA 74 CO 0.51 0.37 1.52 -2.13 0.00 0.00 0.00 175.76 176.03 1slj n ARG 75 N 0.38 0.11 0.27 0.00 0.63 -1.26 -1.54 116.66 115.26 1slj n ARG 75 Ca -0.01 0.55 0.12 0.00 -0.92 0.00 0.00 57.85 57.59 1slj n ARG 75 Cb 0.52 -1.82 0.77 0.00 0.45 0.00 0.00 32.46 32.37 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 0.10 -0.14 4.57 -1.77 -3.17 114.58 114.16 1slj h GLU 76 Ca 0.00 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.90 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 0.03 -1.48 1.88 -1.18 0.00 0.00 179.01 178.26 1slj h TYR 77 N 0.00 0.37 -3.05 0.92 0.05 -1.63 -3.38 116.97 110.25 1slj h TYR 77 Ca -0.00 -0.27 -0.73 0.00 0.05 0.00 0.00 58.73 57.79 1slj h TYR 77 Cb 0.07 -0.01 -0.21 0.00 1.01 0.00 0.00 36.73 37.58 1slj h TYR 77 CO 0.00 1.58 0.12 -0.59 -1.05 0.00 0.00 178.16 178.22 1slj s PHE 78 N -2.47 3.19 0.15 4.88 -0.71 -1.20 -4.71 117.98 117.11 1slj s PHE 78 Ca -0.22 -1.25 -0.28 0.00 -1.04 0.00 0.00 56.93 54.14 1slj s PHE 78 Cb 0.05 -3.97 -0.16 0.00 -1.21 0.00 0.00 43.02 37.73 1slj s PHE 78 CO 0.73 -1.21 0.59 -0.35 -1.34 0.00 0.00 175.22 173.64 1slj n PRO 79 N 5.74 0.00 0.01 1.99 -0.04 -1.24 -4.62 135.00 136.84 1slj n PRO 79 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1slj n PRO 79 Cb 0.43 -1.02 0.03 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.28 0.74 0.78 0.55 0.00 -1.20 0.11 120.51 121.76 1slj n ALA 80 Ca 0.17 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1slj n ALA 80 Cb 0.20 -0.75 0.28 0.00 0.00 0.00 0.00 19.45 19.18 1slj n ALA 80 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1slj n ASN 81 N -1.41 0.55 -4.77 0.00 4.13 -1.26 -4.87 115.26 107.63 1slj n ASN 81 Ca -0.00 0.09 -0.38 0.00 1.68 0.00 0.00 54.58 55.97 1slj n ASN 81 Cb 0.14 0.01 -0.05 0.00 -1.54 0.00 0.00 39.78 38.35 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 -3.08 3.47 -0.72 3.10 5.04 0.30 -4.97 117.35 120.49 1slj s TYR 82 Ca 0.09 1.70 -0.27 0.00 -2.44 0.00 0.00 57.07 56.15 1slj s TYR 82 Cb 0.15 -3.14 0.03 0.00 0.35 0.00 0.00 41.96 39.35 1slj s TYR 82 CO 0.68 -0.42 1.30 -1.12 -1.34 0.00 0.00 175.55 174.65 1slj s SER 83 N -1.33 6.15 -0.19 4.32 0.01 -1.26 -4.97 113.70 116.43 1slj s SER 83 Ca 0.51 -0.36 -0.23 0.00 1.31 0.00 0.00 55.95 57.19 1slj s SER 83 Cb -0.25 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.40 1slj s SER 83 CO 0.32 -1.83 0.72 0.00 0.41 0.00 0.00 173.24 172.86 1slj s ALA 84 N 5.81 3.54 -0.10 1.44 0.00 -1.26 -4.93 121.76 126.26 1slj s ALA 84 Ca 0.37 -0.14 0.22 0.00 0.00 0.00 0.00 51.96 52.41 1slj s ALA 84 Cb -0.08 -3.09 -0.22 0.00 0.00 0.00 0.00 23.12 19.72 1slj s ALA 84 CO 0.16 -0.61 0.66 1.58 0.00 0.00 0.00 175.76 177.55 1slj n HIS 85 N 5.16 0.34 0.00 0.00 -0.00 -1.26 -5.00 115.22 114.46 1slj n HIS 85 Ca 0.01 0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.29 1slj n HIS 85 Cb 0.49 -0.68 0.00 0.00 -0.12 0.00 0.00 29.99 29.69 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 1.25 -2.14 3.64 1.57 0.00 -1.26 -5.12 105.19 103.13 1slj n GLY 86 Ca -0.04 0.70 -0.35 0.00 0.00 0.00 0.00 46.02 46.34 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 3.71 0.90 1.61 1.70 -1.26 -5.11 118.95 120.50 1slj s ARG 87 Ca 0.00 -0.37 -0.11 0.00 -0.47 0.00 0.00 55.73 54.79 1slj s ARG 87 Cb 0.00 -3.09 0.13 0.00 -0.57 0.00 0.00 34.95 31.42 1slj s ARG 87 CO 0.00 0.39 1.11 -1.25 -1.08 0.00 0.00 175.30 174.47 1slj s PRO 88 N 0.03 1.20 -0.31 3.89 0.04 -1.26 -5.04 135.00 133.54 1slj s PRO 88 Ca 0.05 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.37 1slj s PRO 88 Cb -0.12 -1.77 0.09 0.00 0.04 0.00 0.00 34.50 32.74 1slj s PRO 88 CO 0.01 -2.41 0.02 0.54 0.04 0.00 0.00 177.00 175.20 1slj s ASN 89 N -2.98 4.53 0.28 6.66 4.22 -1.26 -4.91 114.94 121.48 1slj s ASN 89 Ca 0.65 -1.87 0.01 0.00 -2.14 0.00 0.00 52.86 49.50 1slj s ASN 89 Cb -0.21 -1.47 0.53 0.00 1.28 0.00 0.00 41.25 41.38 1slj s ASN 89 CO 0.58 -0.34 1.84 -0.29 -2.04 0.00 0.00 177.10 176.85 1slj h ILE 90 N 6.63 0.93 0.00 0.54 2.10 -1.92 0.32 117.51 126.11 1slj h ILE 90 Ca -0.09 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.51 1slj h ILE 90 Cb 1.03 -0.16 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 1slj h ILE 90 CO 0.49 0.18 0.00 2.29 -1.08 0.00 0.00 178.15 180.04 1slj n LYS 91 N -4.62 0.06 -0.16 2.19 2.85 -1.26 -0.68 118.16 116.54 1slj n LYS 91 Ca 0.18 0.36 0.06 0.00 -1.05 0.00 0.00 58.31 57.87 1slj n LYS 91 Cb 0.34 -1.63 0.08 0.00 -0.65 0.00 0.00 35.03 33.17 1slj n LYS 91 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1slj n ASP 92 N -1.75 1.66 0.03 -5.58 2.03 0.10 -4.78 116.55 108.25 1slj n ASP 92 Ca 0.02 -2.60 0.00 0.00 0.52 0.00 0.00 54.79 52.73 1slj n ASP 92 Cb 0.15 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 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 0.52 -3.96 5.18 0.31 -0.47 -4.90 118.33 114.09 1slj n VAL 93 Ca 0.10 0.17 -0.28 0.00 -0.01 0.00 0.00 64.34 64.32 1slj n VAL 93 Cb 0.60 -1.41 -0.04 0.00 -0.91 0.00 0.00 33.84 32.08 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 -6.41 4.24 0.11 7.52 1.43 0.14 -4.22 118.68 121.49 1slj s LEU 94 Ca 0.00 0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 1slj s LEU 94 Cb 0.00 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1slj s LEU 94 CO 0.00 0.09 -0.20 -0.13 0.23 0.00 0.00 176.35 176.34 1slj s ARG 95 N -2.98 1.12 -0.37 1.70 3.00 -1.26 -4.66 118.95 115.50 1slj s ARG 95 Ca 0.34 -1.17 -0.28 0.00 0.00 0.00 0.00 55.73 54.61 1slj s ARG 95 Cb -0.11 -1.35 -0.01 0.00 0.00 0.00 0.00 34.95 33.48 1slj s ARG 95 CO 0.27 0.31 1.70 -1.21 0.00 0.00 0.00 175.30 176.37 1slj s GLU 96 N -1.99 3.36 0.00 3.54 2.02 -1.26 -0.27 118.70 124.10 1slj s GLU 96 Ca 0.07 1.25 0.00 0.00 0.02 0.00 0.00 54.97 56.31 1slj s GLU 96 Cb -0.10 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 29.97 1slj s GLU 96 CO 0.04 -1.83 0.00 0.41 0.02 0.00 0.00 175.26 173.91 1slj n GLY 97 N 5.35 1.34 3.78 -1.39 0.00 0.24 -4.92 105.19 109.59 1slj n GLY 97 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.24 4.55 0.36 1.61 0.74 0.63 -4.73 119.66 122.57 1slj s GLN 98 Ca 0.00 1.29 -0.10 0.00 0.05 0.00 0.00 55.36 56.60 1slj s GLN 98 Cb 0.00 -2.77 -0.07 0.00 1.10 0.00 0.00 33.01 31.28 1slj s GLN 98 CO 0.00 0.27 0.71 -1.83 -0.55 0.00 0.00 175.29 173.88 1slj s GLU 99 N -2.12 3.78 0.02 1.67 -1.05 -1.26 -0.23 118.70 119.52 1slj s GLU 99 Ca 0.51 0.39 0.02 0.00 -0.15 0.00 0.00 54.97 55.73 1slj s GLU 99 Cb -0.18 -2.47 -0.02 0.00 -0.44 0.00 0.00 34.13 31.03 1slj s GLU 99 CO 0.23 0.07 -0.07 0.14 0.95 0.00 0.00 175.26 176.58 1slj s VAL 100 N -2.22 0.46 -0.42 1.83 -7.23 0.62 -4.92 120.40 108.52 1slj s VAL 100 Ca 0.50 -0.76 -0.15 0.00 -1.81 0.00 0.00 61.98 59.76 1slj s VAL 100 Cb -0.10 -0.49 0.03 0.00 0.56 0.00 0.00 36.38 36.38 1slj s VAL 100 CO 0.28 -0.21 0.31 -0.63 -0.31 0.00 0.00 175.10 174.54 1slj s ILE 101 N -0.93 5.19 -0.05 -0.62 -1.09 -1.26 -1.99 121.20 120.46 1slj s ILE 101 Ca -0.06 -0.75 -0.07 0.00 -2.23 0.00 0.00 60.65 57.53 1slj s ILE 101 Cb -0.07 -3.93 0.02 0.00 -1.58 0.00 0.00 42.46 36.89 1slj s ILE 101 CO 0.00 -0.35 0.19 0.68 -1.23 0.00 0.00 174.94 174.23 1slj s VAL 102 N 1.66 0.02 0.35 2.92 -7.23 0.39 -4.91 120.40 113.61 1slj s VAL 102 Ca 0.05 -0.17 0.07 0.00 -1.81 0.00 0.00 61.98 60.12 1slj s VAL 102 Cb -0.20 -0.33 -0.02 0.00 0.56 0.00 0.00 36.38 36.39 1slj s VAL 102 CO 0.09 -0.10 0.37 0.00 -0.31 0.00 0.00 175.10 175.15 1slj s GLN 103 N -0.29 2.79 -0.50 4.82 1.03 -1.26 0.52 119.66 126.78 1slj s GLN 103 Ca -0.04 -1.26 -0.07 0.00 0.04 0.00 0.00 55.36 54.03 1slj s GLN 103 Cb -0.03 -2.56 0.13 0.00 0.03 0.00 0.00 33.01 30.58 1slj s GLN 103 CO 0.01 0.01 0.35 0.42 -2.54 0.00 0.00 175.29 173.54 1slj s ILE 104 N -2.31 4.03 0.04 3.63 -1.09 -1.25 -2.94 121.20 121.31 1slj s ILE 104 Ca 0.44 -2.05 0.10 0.00 -2.23 0.00 0.00 60.65 56.91 1slj s ILE 104 Cb -0.07 -3.66 -0.19 0.00 -1.58 0.00 0.00 42.46 36.96 1slj s ILE 104 CO 0.28 -0.79 1.08 -0.78 -1.23 0.00 0.00 174.94 173.50 1slj h ASP 105 N 8.13 0.00 -4.00 3.58 3.58 -1.93 -3.45 116.42 122.34 1slj h ASP 105 Ca -0.15 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.61 1slj h ASP 105 Cb 1.05 0.00 -0.28 0.00 1.72 0.00 0.00 39.33 41.81 1slj h ASP 105 CO 0.80 0.94 -0.84 -0.54 -2.88 0.00 0.00 179.24 176.72 1slj s LYS 106 N -2.70 2.60 0.25 0.28 -0.14 -1.25 -5.02 119.74 113.76 1slj s LYS 106 Ca -0.01 -0.82 0.02 0.00 -1.36 0.00 0.00 55.97 53.80 1slj s LYS 106 Cb 0.09 -2.27 -0.03 0.00 -1.68 0.00 0.00 37.83 33.94 1slj s LYS 106 CO 0.82 0.44 0.42 -1.21 -0.76 0.00 0.00 175.35 175.06 1slj s GLU 107 N -0.29 3.47 -0.31 1.68 2.02 -1.22 -1.60 118.70 122.45 1slj s GLU 107 Ca 0.01 -0.52 -0.36 0.00 0.02 0.00 0.00 54.97 54.13 1slj s GLU 107 Cb -0.13 -2.82 -0.12 0.00 0.10 0.00 0.00 34.13 31.17 1slj s GLU 107 CO 0.03 0.35 2.11 -1.91 0.02 0.00 0.00 175.26 175.85 1slj n GLU 108 N -1.27 1.22 -2.68 1.61 2.13 -1.24 -4.13 120.64 116.28 1slj n GLU 108 Ca -0.07 0.36 -0.08 0.00 0.66 0.00 0.00 57.16 58.04 1slj n GLU 108 Cb 0.56 -2.46 0.06 0.00 0.27 0.00 0.00 31.44 29.87 1slj n GLU 108 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1slj n ARG 109 N 7.73 1.19 0.00 5.31 1.85 -1.26 -4.88 116.66 126.60 1slj n ARG 109 Ca 0.37 -2.77 0.00 0.00 -1.00 0.00 0.00 57.85 54.45 1slj n ARG 109 Cb 0.23 -0.85 0.00 0.00 -1.05 0.00 0.00 32.46 30.79 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 -0.29 1.72 0.11 2.89 0.00 -1.26 -4.28 105.19 104.08 1slj n GLY 110 Ca 0.05 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 0.25 0.00 1.61 -0.73 -1.98 -3.34 115.58 111.39 1slj h ASN 111 Ca 0.00 -0.04 -0.18 0.00 1.87 0.00 0.00 56.30 57.95 1slj h ASN 111 Cb 0.00 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 1slj h ASN 111 CO 0.00 0.21 -1.68 1.17 -0.37 0.00 0.00 177.43 176.76 1slj n LYS 112 N -4.92 0.30 0.00 6.67 3.00 -1.26 -5.04 118.16 116.90 1slj n LYS 112 Ca -0.03 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1slj n LYS 112 Cb 0.05 -1.23 0.00 0.00 0.00 0.00 0.00 35.03 33.85 1slj n LYS 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1slj n GLY 113 N 2.91 4.20 3.56 3.14 0.00 -1.26 -4.41 105.19 113.33 1slj n GLY 113 Ca -0.21 0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.19 2.42 -0.24 4.61 0.00 -1.26 -3.40 121.76 122.70 1slj s ALA 114 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 1slj s ALA 114 Cb 0.00 -4.26 -0.05 0.00 0.00 0.00 0.00 23.12 18.82 1slj s ALA 114 CO 0.00 -3.58 0.23 0.00 0.00 0.00 0.00 175.76 172.41 1slj s ALA 115 N 7.80 3.59 -0.01 0.00 0.00 -0.63 -0.46 121.76 132.06 1slj s ALA 115 Ca 0.58 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 51.52 1slj s ALA 115 Cb -0.12 -2.43 -0.06 0.00 0.00 0.00 0.00 23.12 20.51 1slj s ALA 115 CO 0.20 -0.30 0.51 -0.51 0.00 0.00 0.00 175.76 175.66 1slj s LEU 116 N 1.28 4.43 0.45 0.00 1.43 -1.25 -3.07 118.68 121.95 1slj s LEU 116 Ca 0.10 1.06 0.04 0.00 -1.03 0.00 0.00 54.13 54.30 1slj s LEU 116 Cb -0.14 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.32 1slj s LEU 116 CO 0.06 0.19 0.63 0.28 0.23 0.00 0.00 176.35 177.75 1slj s THR 117 N -0.53 3.27 -0.01 5.49 -1.32 -1.15 -4.73 115.64 116.65 1slj s THR 117 Ca 0.27 -0.81 0.02 0.00 -1.21 0.00 0.00 61.69 59.95 1slj s THR 117 Cb -0.17 -3.16 0.02 0.00 -1.51 0.00 0.00 72.50 67.68 1slj s THR 117 CO 0.15 -0.08 0.77 0.35 -2.21 0.00 0.00 174.62 173.60 1slj n THR 118 N -2.00 0.27 -1.29 5.08 -2.24 -1.26 -4.49 114.28 108.36 1slj n THR 118 Ca 0.05 -0.30 -0.33 0.00 -2.27 0.00 0.00 64.05 61.21 1slj n THR 118 Cb 0.59 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.17 1.86 -4.53 4.78 3.72 -1.26 -4.82 117.46 117.04 1slj n PHE 119 Ca 0.01 -2.69 -0.25 0.00 -0.05 0.00 0.00 57.45 54.47 1slj n PHE 119 Cb 0.55 -2.23 -0.09 0.00 -0.94 0.00 0.00 39.48 36.77 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 1.59 0.88 0.00 4.37 1.01 -1.26 -5.02 121.20 122.77 1slj s ILE 120 Ca 0.68 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.33 1slj s ILE 120 Cb 0.22 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 40.22 1slj s ILE 120 CO -0.05 0.00 1.06 -1.20 0.00 0.00 0.00 174.94 174.74 1slj n SER 121 N -1.11 2.99 -4.25 3.58 7.64 -1.26 -4.76 113.62 116.45 1slj n SER 121 Ca -0.07 -1.75 -0.33 0.00 1.01 0.00 0.00 58.87 57.73 1slj n SER 121 Cb 0.66 -0.56 -0.15 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.00 2.48 0.00 -3.43 1.02 -1.26 -4.78 118.68 112.70 1slj s LEU 122 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.67 1slj s LEU 122 Cb 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 46.19 44.64 1slj s LEU 122 CO 0.00 0.06 0.00 0.00 0.02 0.00 0.00 176.35 176.43 1slj n ALA 123 N 4.20 0.00 0.00 4.21 0.00 -1.26 -4.32 120.51 123.34 1slj n ALA 123 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1slj n ALA 123 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 1.53 0.00 0.00 0.00 -1.26 -4.40 105.19 101.06 1slj n GLY 124 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1slj n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76