#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 6.82 -0.87 1.61 1.04 -1.26 -4.92 113.70 116.12 1slj s SER 31 Ca 0.00 2.27 -0.02 0.00 0.48 0.00 0.00 55.95 58.68 1slj s SER 31 Cb 0.00 -2.58 0.32 0.00 0.10 0.00 0.00 66.02 63.87 1slj s SER 31 CO 0.00 -0.69 2.04 1.41 0.98 0.00 0.00 173.24 176.98 1slj n HIS 32 N 4.51 2.84 0.84 5.02 -0.00 -1.26 -4.29 115.22 122.89 1slj n HIS 32 Ca 0.12 -2.35 0.12 0.00 -0.00 0.00 0.00 57.72 55.61 1slj n HIS 32 Cb 0.43 -1.21 0.30 0.00 -0.00 0.00 0.00 29.99 29.50 1slj n HIS 32 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1slj n MET 33 N -0.32 0.11 -3.63 -0.41 0.00 -1.26 -4.84 117.12 106.78 1slj n MET 33 Ca 0.52 0.04 -0.23 0.00 0.00 0.00 0.00 57.70 58.04 1slj n MET 33 Cb 0.26 -1.58 -0.01 0.00 0.00 0.00 0.00 33.22 31.89 1slj n MET 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1slj s LEU 34 N -3.48 3.12 0.03 4.03 2.01 -1.26 -5.07 118.68 118.06 1slj s LEU 34 Ca 0.10 -0.94 -0.26 0.00 0.01 0.00 0.00 54.13 53.04 1slj s LEU 34 Cb 0.16 -1.70 -0.15 0.00 0.01 0.00 0.00 46.19 44.52 1slj s LEU 34 CO 0.67 -0.88 1.31 -0.33 1.01 0.00 0.00 176.35 178.12 1slj h GLU 35 N 0.85 -0.92 -4.71 1.70 5.08 -1.90 -3.49 114.58 111.19 1slj h GLU 35 Ca -0.38 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1slj h GLU 35 Cb 1.28 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1slj h GLU 35 CO 0.56 -0.61 -0.15 1.04 -1.00 0.00 0.00 179.01 178.85 1slj n GLN 36 N -4.75 -1.28 -3.54 2.33 1.13 -1.26 -3.95 117.38 106.06 1slj n GLN 36 Ca -0.12 1.42 -0.21 0.00 -1.94 0.00 0.00 57.00 56.15 1slj n GLN 36 Cb 0.38 -4.61 0.08 0.00 0.11 0.00 0.00 30.24 26.20 1slj n GLN 36 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1slj n LYS 37 N -1.08 -7.39 -4.42 -1.09 5.02 -1.26 -5.00 118.16 102.95 1slj n LYS 37 Ca 0.04 0.83 -0.20 0.00 -2.02 0.00 0.00 58.31 56.96 1slj n LYS 37 Cb 0.43 -5.87 -0.14 0.00 -0.02 0.00 0.00 35.03 29.44 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 -5.94 0.93 0.71 1.97 2.20 -1.25 -5.14 119.74 113.22 1slj s LYS 38 Ca 0.35 -0.60 -0.12 0.00 -0.36 0.00 0.00 55.97 55.24 1slj s LYS 38 Cb -0.15 -0.91 0.02 0.00 -1.51 0.00 0.00 37.83 35.28 1slj s LYS 38 CO 0.73 0.24 1.09 0.00 -0.36 0.00 0.00 175.35 177.04 1slj s ALA 39 N -0.60 2.43 -0.16 3.13 0.00 -1.26 -4.90 121.76 120.41 1slj s ALA 39 Ca 0.03 0.31 -0.36 0.00 0.00 0.00 0.00 51.96 51.94 1slj s ALA 39 Cb -0.06 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 19.67 1slj s ALA 39 CO 0.00 -1.45 1.85 -1.71 0.00 0.00 0.00 175.76 174.45 1slj n ASN 40 N -3.03 3.10 -4.80 0.00 2.85 -1.26 -4.60 115.26 107.51 1slj n ASN 40 Ca 0.09 0.99 -0.39 0.00 -0.11 0.00 0.00 54.58 55.16 1slj n ASN 40 Cb 0.53 -1.30 -0.06 0.00 1.24 0.00 0.00 39.78 40.19 1slj n ASN 40 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1slj s ILE 41 N 4.03 4.81 0.10 -1.44 1.10 -1.26 -1.68 121.20 126.86 1slj s ILE 41 Ca 0.95 1.19 0.04 0.00 -0.51 0.00 0.00 60.65 62.32 1slj s ILE 41 Cb -0.81 -3.89 -0.04 0.00 0.15 0.00 0.00 42.46 37.87 1slj s ILE 41 CO 0.56 0.52 -0.10 -0.31 -2.11 0.00 0.00 174.94 173.51 1slj s TYR 42 N -0.86 1.06 -0.17 3.50 2.02 0.14 -4.93 117.35 118.10 1slj s TYR 42 Ca 0.29 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 1slj s TYR 42 Cb -0.19 -0.58 0.01 0.00 -0.40 0.00 0.00 41.96 40.81 1slj s TYR 42 CO 0.18 -0.01 -0.18 0.21 -1.57 0.00 0.00 175.55 174.18 1slj s LYS 43 N -3.02 3.07 0.16 -0.62 2.20 -1.25 -0.86 119.74 119.42 1slj s LYS 43 Ca 0.07 -0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 54.87 1slj s LYS 43 Cb -0.01 -2.61 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 1slj s LYS 43 CO -0.01 -0.14 0.11 0.20 -0.36 0.00 0.00 175.35 175.15 1slj s GLY 44 N 1.16 1.09 0.18 5.54 0.00 -1.10 -4.88 107.32 109.31 1slj s GLY 44 Ca 0.01 -1.49 0.04 0.00 0.00 0.00 0.00 44.72 43.28 1slj s GLY 44 CO -0.08 -1.32 0.31 0.54 0.00 0.00 0.00 173.10 172.55 1slj s LYS 45 N -4.08 3.42 0.20 2.90 1.02 -1.23 -0.45 119.74 121.53 1slj s LYS 45 Ca 0.28 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.30 1slj s LYS 45 Cb 0.07 -2.93 -0.09 0.00 -0.52 0.00 0.00 37.83 34.37 1slj s LYS 45 CO 0.05 0.48 1.30 0.42 -0.92 0.00 0.00 175.35 176.68 1slj s ILE 46 N -1.84 3.23 0.00 2.17 1.09 -0.27 -1.11 121.20 124.47 1slj s ILE 46 Ca 0.34 1.02 0.00 0.00 -1.10 0.00 0.00 60.65 60.92 1slj s ILE 46 Cb -0.10 -3.65 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 1slj s ILE 46 CO 0.29 0.16 0.00 0.35 -0.10 0.00 0.00 174.94 175.63 1slj n THR 47 N 2.54 0.00 -3.71 2.92 -2.24 -0.23 -1.78 114.28 111.79 1slj n THR 47 Ca 0.06 -0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 1slj n THR 47 Cb 0.43 0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.48 0.37 -0.27 -0.78 3.52 -1.13 -4.97 118.95 114.20 1slj s ARG 48 Ca 0.00 0.71 -0.04 0.00 -0.13 0.00 0.00 55.73 56.27 1slj s ARG 48 Cb 0.00 -0.01 0.09 0.00 -1.56 0.00 0.00 34.95 33.48 1slj s ARG 48 CO 0.00 -0.15 0.12 0.42 -0.81 0.00 0.00 175.30 174.89 1slj s ILE 49 N 1.22 -0.05 -0.38 4.11 1.01 -1.26 0.19 121.20 126.04 1slj s ILE 49 Ca -0.08 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 1slj s ILE 49 Cb -0.08 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1slj s ILE 49 CO -0.10 -0.67 0.33 -1.61 0.00 0.00 0.00 174.94 172.89 1slj s GLU 50 N 2.09 3.26 0.63 2.79 8.01 -1.13 -4.91 118.70 129.44 1slj s GLU 50 Ca 0.08 -0.73 0.34 0.00 0.01 0.00 0.00 54.97 54.67 1slj s GLU 50 Cb -0.16 -3.90 1.92 0.00 -4.31 0.00 0.00 34.13 27.68 1slj s GLU 50 CO -0.33 -0.65 2.15 -1.35 0.01 0.00 0.00 175.26 175.09 1slj h PRO 51 N 8.58 0.00 0.00 0.39 0.11 -1.99 -0.93 132.00 138.17 1slj h PRO 51 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1slj h PRO 51 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1slj h PRO 51 CO 0.71 0.00 -0.01 1.03 -0.21 0.00 0.00 178.00 179.53 1slj h SER 52 N 0.00 0.00 0.00 -2.05 0.87 -1.95 -3.27 113.55 107.15 1slj h SER 52 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1slj h SER 52 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1slj h SER 52 CO -0.00 0.01 -0.06 0.00 -0.53 0.00 0.00 176.83 176.25 1slj n LEU 53 N -3.10 1.22 -4.17 2.23 -0.00 -0.38 -5.02 117.00 107.78 1slj n LEU 53 Ca 0.01 -1.45 -0.35 0.00 -0.00 0.00 0.00 56.01 54.22 1slj n LEU 53 Cb 0.34 -0.07 -0.02 0.00 -0.00 0.00 0.00 43.42 43.67 1slj n LEU 53 CO 0.28 0.35 -0.02 -1.84 -0.00 0.00 0.00 177.39 176.17 1slj n GLU 54 N -0.44 -3.50 -3.84 1.47 -0.00 -1.05 -4.89 120.64 108.39 1slj n GLU 54 Ca 0.03 0.40 -0.06 0.00 -0.00 0.00 0.00 57.16 57.53 1slj n GLU 54 Cb 0.44 -5.12 -0.02 0.00 -0.00 0.00 0.00 31.44 26.74 1slj n GLU 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1slj s ALA 55 N -3.33 -1.31 0.03 -1.84 0.00 -1.25 0.05 121.76 114.11 1slj s ALA 55 Ca 0.69 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1slj s ALA 55 Cb -0.37 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1slj s ALA 55 CO 0.91 -1.04 -0.06 0.00 0.00 0.00 0.00 175.76 175.58 1slj s ALA 56 N -3.73 0.38 -0.11 0.00 0.00 -0.25 -2.84 121.76 115.20 1slj s ALA 56 Ca 0.11 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.33 1slj s ALA 56 Cb -0.05 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 1slj s ALA 56 CO 0.06 -0.06 0.20 -0.06 0.00 0.00 0.00 175.76 175.90 1slj s PHE 57 N -1.29 3.58 -0.09 0.00 0.08 0.13 -0.38 117.98 120.00 1slj s PHE 57 Ca -0.11 0.60 0.04 0.00 0.12 0.00 0.00 56.93 57.57 1slj s PHE 57 Cb -0.09 -2.07 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 1slj s PHE 57 CO -0.00 0.61 -0.22 0.08 -0.10 0.00 0.00 175.22 175.59 1slj s VAL 58 N -0.70 2.27 -0.47 -0.44 1.01 0.12 -1.07 120.40 121.13 1slj s VAL 58 Ca 0.16 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1slj s VAL 58 Cb -0.13 -1.87 0.08 0.00 0.00 0.00 0.00 36.38 34.45 1slj s VAL 58 CO 0.05 0.56 0.39 -0.62 0.00 0.00 0.00 175.10 175.48 1slj s ASP 59 N 0.17 6.12 -0.53 3.32 2.15 -0.27 -1.35 116.67 126.28 1slj s ASP 59 Ca -0.12 -1.37 0.07 0.00 0.43 0.00 0.00 52.55 51.56 1slj s ASP 59 Cb -0.16 -2.17 0.29 0.00 -0.30 0.00 0.00 42.92 40.58 1slj s ASP 59 CO 0.07 -0.65 0.76 0.00 -0.17 0.00 0.00 175.17 175.18 1slj n TYR 60 N 5.19 2.44 -3.90 -5.34 4.11 -1.26 -3.53 117.16 114.87 1slj n TYR 60 Ca -0.12 -3.94 -0.27 0.00 -0.00 0.00 0.00 57.90 53.56 1slj n TYR 60 Cb 0.43 -0.48 -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 0.54 -0.38 3.70 -7.48 0.00 -1.26 -4.98 105.19 95.32 1slj n GLY 61 Ca 0.28 0.21 -0.25 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.85 3.44 -0.21 4.61 0.00 -1.26 -5.08 121.76 119.41 1slj s ALA 62 Ca 0.11 -2.08 -0.16 0.00 0.00 0.00 0.00 51.96 49.82 1slj s ALA 62 Cb -0.04 -0.34 -0.12 0.00 0.00 0.00 0.00 23.12 22.62 1slj s ALA 62 CO 0.88 -0.09 -0.09 -1.91 0.00 0.00 0.00 175.76 174.55 1slj n GLU 63 N -1.13 0.54 -0.13 0.00 4.07 -1.26 -4.51 120.64 118.21 1slj n GLU 63 Ca -0.02 0.44 0.07 0.00 -0.06 0.00 0.00 57.16 57.58 1slj n GLU 63 Cb 0.64 -1.63 0.14 0.00 -0.06 0.00 0.00 31.44 30.53 1slj n GLU 63 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1slj n ARG 64 N -4.43 2.14 -0.75 5.31 1.85 -1.26 -5.08 116.66 114.44 1slj n ARG 64 Ca -0.30 -1.84 0.00 0.00 -1.00 0.00 0.00 57.85 54.71 1slj n ARG 64 Cb 0.62 -1.29 0.00 0.00 -1.05 0.00 0.00 32.46 30.74 1slj n ARG 64 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1slj n HIS 65 N 0.70 -2.06 -2.37 2.89 8.25 -1.26 -4.82 115.22 116.55 1slj n HIS 65 Ca 0.11 1.10 -0.43 0.00 -0.26 0.00 0.00 57.72 58.25 1slj n HIS 65 Cb 0.41 -2.11 -0.02 0.00 1.12 0.00 0.00 29.99 29.38 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 -3.14 1.48 -0.58 -1.41 0.00 -0.46 -4.38 107.32 98.83 1slj s GLY 66 Ca 0.00 0.33 -0.16 0.00 0.00 0.00 0.00 44.72 44.89 1slj s GLY 66 CO 0.00 2.61 0.54 -0.12 0.00 0.00 0.00 173.10 176.14 1slj s PHE 67 N 4.08 3.31 -0.30 1.90 5.36 0.08 0.15 117.98 132.56 1slj s PHE 67 Ca 0.58 -1.37 -0.23 0.00 -0.96 0.00 0.00 56.93 54.95 1slj s PHE 67 Cb -0.20 -3.81 -0.00 0.00 -0.34 0.00 0.00 43.02 38.66 1slj s PHE 67 CO 0.20 -1.03 0.75 -1.17 -1.46 0.00 0.00 175.22 172.52 1slj s LEU 68 N 1.45 4.10 0.37 6.12 0.20 0.49 -3.75 118.68 127.66 1slj s LEU 68 Ca 0.05 0.65 -0.27 0.00 0.69 0.00 0.00 54.13 55.25 1slj s LEU 68 Cb -0.27 -3.02 -0.09 0.00 -0.43 0.00 0.00 46.19 42.37 1slj s LEU 68 CO 0.02 -0.57 1.26 -2.84 -0.29 0.00 0.00 176.35 173.93 1slj s PRO 69 N 2.86 4.16 0.39 0.98 0.02 -1.26 -1.09 135.00 141.06 1slj s PRO 69 Ca 0.31 2.09 0.06 0.00 0.02 0.00 0.00 61.00 63.48 1slj s PRO 69 Cb -0.14 -2.88 0.78 0.00 0.02 0.00 0.00 34.50 32.28 1slj s PRO 69 CO 0.12 -0.31 2.02 1.25 -0.33 0.00 0.00 177.00 179.75 1slj h LEU 70 N 2.98 0.58 0.00 -5.54 5.85 -0.72 -0.89 115.31 117.57 1slj h LEU 70 Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1slj h LEU 70 Cb 1.23 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1slj h LEU 70 CO 0.64 0.41 0.00 2.29 -0.34 0.00 0.00 178.44 181.43 1slj n LYS 71 N -4.46 0.07 -0.04 1.25 2.85 -1.26 -1.39 118.16 115.18 1slj n LYS 71 Ca 0.06 0.25 -0.03 0.00 -1.05 0.00 0.00 58.31 57.54 1slj n LYS 71 Cb 0.10 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.84 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 -1.41 0.66 -1.60 -1.58 -0.58 -0.35 -5.02 120.64 110.76 1slj n GLU 72 Ca 0.04 0.05 -0.48 0.00 -0.42 0.00 0.00 57.16 56.35 1slj n GLU 72 Cb 0.12 -1.63 -0.04 0.00 -0.57 0.00 0.00 31.44 29.33 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 -2.73 1.01 -3.42 -3.67 5.41 -0.48 -4.21 119.36 111.27 1slj n ILE 73 Ca -0.20 -0.25 -0.33 0.00 1.00 0.00 0.00 62.75 62.98 1slj n ILE 73 Cb 0.95 -0.99 -0.05 0.00 -0.71 0.00 0.00 39.64 38.84 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 -0.25 3.58 -0.21 -1.39 0.00 -1.26 -4.97 121.76 117.27 1slj s ALA 74 Ca 0.71 -0.27 0.19 0.00 0.00 0.00 0.00 51.96 52.59 1slj s ALA 74 Cb -0.80 -2.43 1.01 0.00 0.00 0.00 0.00 23.12 20.91 1slj s ALA 74 CO 0.52 0.51 1.55 -2.13 0.00 0.00 0.00 175.76 176.21 1slj n ARG 75 N 0.06 0.12 -0.32 0.00 0.63 -1.26 -2.61 116.66 113.28 1slj n ARG 75 Ca -0.01 0.61 0.09 0.00 -0.92 0.00 0.00 57.85 57.63 1slj n ARG 75 Cb 0.52 -1.96 0.30 0.00 0.45 0.00 0.00 32.46 31.77 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 0.84 0.00 -0.14 4.57 -1.69 -3.16 114.58 115.01 1slj h GLU 76 Ca 0.00 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 57.99 1slj h GLU 76 Cb 0.11 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 1slj h GLU 76 CO 0.00 0.56 -2.11 0.66 -1.18 0.00 0.00 179.01 176.94 1slj n TYR 77 N -4.60 0.05 -3.25 0.92 4.01 -1.07 -4.03 117.16 109.19 1slj n TYR 77 Ca 0.18 0.02 -0.46 0.00 -0.16 0.00 0.00 57.90 57.48 1slj n TYR 77 Cb 0.40 -0.72 -0.02 0.00 -0.31 0.00 0.00 39.34 38.70 1slj n TYR 77 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1slj s PHE 78 N -3.11 3.71 0.30 -0.72 -0.71 -1.20 -4.72 117.98 111.52 1slj s PHE 78 Ca -0.08 -1.98 -0.23 0.00 -1.04 0.00 0.00 56.93 53.59 1slj s PHE 78 Cb 0.11 -3.92 -0.16 0.00 -1.21 0.00 0.00 43.02 37.85 1slj s PHE 78 CO 0.87 -1.08 0.27 -0.35 -1.34 0.00 0.00 175.22 173.60 1slj n PRO 79 N 4.30 0.00 0.00 1.99 -0.04 -1.23 -4.61 135.00 135.42 1slj n PRO 79 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1slj n PRO 79 Cb 0.46 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.52 1.07 0.16 0.55 0.00 -1.20 0.78 120.51 121.35 1slj n ALA 80 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.66 1slj n ALA 80 Cb 0.32 -0.95 0.08 0.00 0.00 0.00 0.00 19.45 18.89 1slj n ALA 80 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1slj h ASN 81 N 0.00 0.00 -3.35 0.00 -0.73 -1.91 -3.45 115.58 106.14 1slj h ASN 81 Ca 0.00 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.64 1slj h ASN 81 Cb 0.04 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 1slj h ASN 81 CO 0.00 0.19 0.44 -0.47 -0.37 0.00 0.00 177.43 177.23 1slj s TYR 82 N -3.14 3.59 -0.59 0.67 5.04 0.23 -4.95 117.35 118.20 1slj s TYR 82 Ca 0.04 1.56 -0.26 0.00 -2.44 0.00 0.00 57.07 55.96 1slj s TYR 82 Cb 0.07 -3.23 -0.03 0.00 0.35 0.00 0.00 41.96 39.12 1slj s TYR 82 CO 0.73 -0.49 1.93 -1.12 -1.34 0.00 0.00 175.55 175.26 1slj s SER 83 N 0.89 5.19 -0.64 4.32 0.01 -1.26 -4.92 113.70 117.29 1slj s SER 83 Ca 0.54 0.46 -0.26 0.00 1.31 0.00 0.00 55.95 58.00 1slj s SER 83 Cb -0.25 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.50 1slj s SER 83 CO 0.29 -2.42 1.11 0.00 0.41 0.00 0.00 173.24 172.63 1slj s ALA 84 N 9.39 2.99 -0.05 1.44 0.00 -1.26 -4.99 121.76 129.29 1slj s ALA 84 Ca 0.71 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1slj s ALA 84 Cb -0.13 -3.99 0.01 0.00 0.00 0.00 0.00 23.12 19.01 1slj s ALA 84 CO 0.22 -2.80 -0.10 -3.38 0.00 0.00 0.00 175.76 169.70 1slj s HIS 85 N 4.76 1.18 0.00 0.00 -3.43 -1.26 -5.00 115.29 111.53 1slj s HIS 85 Ca 0.33 -0.37 0.00 0.00 -0.80 0.00 0.00 55.06 54.22 1slj s HIS 85 Cb -0.11 -0.88 0.00 0.00 -1.43 0.00 0.00 32.58 30.17 1slj s HIS 85 CO 0.18 -0.20 0.00 0.41 -2.00 0.00 0.00 174.74 173.13 1slj n GLY 86 N 3.67 1.95 2.87 -1.38 0.00 -1.26 -4.74 105.19 106.30 1slj n GLY 86 Ca -0.22 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 0.40 0.82 1.61 1.81 -1.26 -5.14 118.95 117.19 1slj s ARG 87 Ca 0.00 -0.03 -0.13 0.00 -1.72 0.00 0.00 55.73 53.86 1slj s ARG 87 Cb 0.00 -0.48 0.09 0.00 -0.45 0.00 0.00 34.95 34.11 1slj s ARG 87 CO 0.00 -0.05 1.20 -1.25 -0.68 0.00 0.00 175.30 174.52 1slj s PRO 88 N 0.64 1.51 -0.34 3.54 0.04 -1.26 -5.02 135.00 134.11 1slj s PRO 88 Ca -0.07 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.74 1slj s PRO 88 Cb -0.10 -1.76 0.10 0.00 0.04 0.00 0.00 34.50 32.77 1slj s PRO 88 CO -0.01 -2.31 0.06 1.21 0.04 0.00 0.00 177.00 176.00 1slj s ASN 89 N -2.20 4.85 0.21 6.66 2.47 -1.26 -4.94 114.94 120.72 1slj s ASN 89 Ca 0.73 -2.02 -0.10 0.00 0.42 0.00 0.00 52.86 51.89 1slj s ASN 89 Cb -0.28 -1.67 0.26 0.00 -1.45 0.00 0.00 41.25 38.11 1slj s ASN 89 CO 0.52 -0.39 1.76 -0.29 -3.72 0.00 0.00 177.10 174.98 1slj h ILE 90 N 6.57 0.83 0.00 -5.21 2.10 -1.92 0.41 117.51 120.29 1slj h ILE 90 Ca -0.08 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1slj h ILE 90 Cb 1.03 0.31 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 1slj h ILE 90 CO 0.55 0.09 0.15 0.07 -1.08 0.00 0.00 178.15 177.93 1slj h LYS 91 N 0.48 0.00 -0.01 2.19 2.10 -1.91 0.61 116.57 120.02 1slj h LYS 91 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 1slj h LYS 91 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1slj h LYS 91 CO -0.26 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 173.72 1slj n ASP 92 N -2.43 1.32 -0.10 7.07 2.03 0.13 -4.74 116.55 119.83 1slj n ASP 92 Ca -0.02 -1.21 -0.21 0.00 0.52 0.00 0.00 54.79 53.87 1slj n ASP 92 Cb 0.19 -0.01 -0.07 0.00 -0.72 0.00 0.00 41.12 40.51 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 0.07 1.12 -3.95 5.18 0.31 0.02 -4.97 118.33 116.10 1slj n VAL 93 Ca 0.01 -0.25 -0.28 0.00 -0.01 0.00 0.00 64.34 63.81 1slj n VAL 93 Cb 0.09 -1.80 -0.04 0.00 -0.91 0.00 0.00 33.84 31.18 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 -7.12 4.27 -0.02 7.52 1.43 -0.12 -4.36 118.68 120.27 1slj s LEU 94 Ca -0.28 0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 52.86 1slj s LEU 94 Cb 0.10 -2.86 0.02 0.00 0.03 0.00 0.00 46.19 43.48 1slj s LEU 94 CO 0.35 0.11 0.28 0.00 0.23 0.00 0.00 176.35 177.32 1slj s ARG 95 N -2.89 0.61 0.03 1.70 3.03 -1.26 -4.71 118.95 115.46 1slj s ARG 95 Ca 0.34 -0.17 -0.33 0.00 2.03 0.00 0.00 55.73 57.60 1slj s ARG 95 Cb -0.12 0.27 -0.12 0.00 -1.03 0.00 0.00 34.95 33.95 1slj s ARG 95 CO 0.27 -0.16 1.79 0.39 -1.13 0.00 0.00 175.30 176.46 1slj n GLU 96 N 1.44 2.32 0.00 3.89 1.02 -1.26 -1.05 120.64 127.01 1slj n GLU 96 Ca -0.21 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1slj n GLU 96 Cb 0.56 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.30 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 4.09 2.76 3.73 0.62 0.00 -0.73 -4.92 105.19 110.72 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 -0.54 4.58 0.56 1.61 0.74 -0.21 -4.75 119.66 121.65 1slj s GLN 98 Ca 0.00 1.61 -0.12 0.00 0.05 0.00 0.00 55.36 56.90 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 0.02 0.97 -1.83 -0.55 0.00 0.00 175.29 173.90 1slj s GLU 99 N 0.24 3.70 0.02 1.67 -1.05 -1.26 -1.12 118.70 120.90 1slj s GLU 99 Ca 0.51 0.71 0.01 0.00 -0.15 0.00 0.00 54.97 56.05 1slj s GLU 99 Cb -0.26 -2.16 -0.01 0.00 -0.44 0.00 0.00 34.13 31.25 1slj s GLU 99 CO 0.31 -0.40 -0.05 0.14 0.95 0.00 0.00 175.26 176.21 1slj s VAL 100 N -2.91 0.34 -0.43 1.83 -7.23 0.41 -4.93 120.40 107.48 1slj s VAL 100 Ca 0.55 -0.69 -0.19 0.00 -1.81 0.00 0.00 61.98 59.84 1slj s VAL 100 Cb -0.11 -0.39 0.02 0.00 0.56 0.00 0.00 36.38 36.47 1slj s VAL 100 CO 0.45 -0.23 0.56 -0.63 -0.31 0.00 0.00 175.10 174.93 1slj s ILE 101 N -0.90 4.94 -0.08 -0.62 -1.09 -1.26 -2.72 121.20 119.47 1slj s ILE 101 Ca -0.07 -0.07 -0.03 0.00 -2.23 0.00 0.00 60.65 58.25 1slj s ILE 101 Cb -0.07 -4.13 0.04 0.00 -1.58 0.00 0.00 42.46 36.72 1slj s ILE 101 CO -0.00 -0.52 0.17 0.68 -1.23 0.00 0.00 174.94 174.04 1slj s VAL 102 N 2.54 -0.05 -0.02 2.92 -7.23 -0.04 -4.77 120.40 113.74 1slj s VAL 102 Ca 0.18 0.18 -0.15 0.00 -1.81 0.00 0.00 61.98 60.38 1slj s VAL 102 Cb -0.15 -0.28 -0.05 0.00 0.56 0.00 0.00 36.38 36.45 1slj s VAL 102 CO 0.17 0.07 0.40 0.00 -0.31 0.00 0.00 175.10 175.43 1slj s GLN 103 N 1.23 3.95 -0.84 4.82 -2.07 -1.25 0.25 119.66 125.74 1slj s GLN 103 Ca -0.09 0.38 -0.25 0.00 -1.82 0.00 0.00 55.36 53.58 1slj s GLN 103 Cb -0.11 -3.24 0.04 0.00 -1.09 0.00 0.00 33.01 28.60 1slj s GLN 103 CO -0.07 0.64 1.32 0.42 -1.32 0.00 0.00 175.29 176.29 1slj s ILE 104 N -0.89 3.84 0.25 3.63 -1.09 -0.67 -2.78 121.20 123.48 1slj s ILE 104 Ca 0.23 -0.08 0.11 0.00 -2.23 0.00 0.00 60.65 58.68 1slj s ILE 104 Cb -0.16 -4.96 -0.02 0.00 -1.58 0.00 0.00 42.46 35.74 1slj s ILE 104 CO 0.12 -1.86 1.61 -0.78 -1.23 0.00 0.00 174.94 172.80 1slj h ASP 105 N 9.90 0.00 -3.27 3.58 3.58 -1.85 -3.40 116.42 124.97 1slj h ASP 105 Ca -0.10 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.83 1slj h ASP 105 Cb 1.04 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.73 1slj h ASP 105 CO 1.33 0.61 -0.81 -0.54 -2.88 0.00 0.00 179.24 176.95 1slj s LYS 106 N -3.55 1.62 0.61 0.28 1.02 -1.25 -5.05 119.74 113.41 1slj s LYS 106 Ca -0.01 -0.33 -0.12 0.00 0.02 0.00 0.00 55.97 55.53 1slj s LYS 106 Cb 0.12 -1.53 -0.04 0.00 -0.52 0.00 0.00 37.83 35.86 1slj s LYS 106 CO 0.76 -0.15 1.03 -1.21 -0.92 0.00 0.00 175.35 174.85 1slj s GLU 107 N 1.29 3.59 -0.89 1.68 2.02 -1.25 -2.23 118.70 122.91 1slj s GLU 107 Ca -0.03 0.83 -0.25 0.00 0.02 0.00 0.00 54.97 55.55 1slj s GLU 107 Cb -0.14 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1slj s GLU 107 CO -0.04 -0.58 1.90 -2.00 0.02 0.00 0.00 175.26 174.56 1slj s GLU 108 N -4.91 2.65 0.00 1.61 2.12 -1.21 -4.03 118.70 114.93 1slj s GLU 108 Ca 0.56 -0.29 0.10 0.00 0.36 0.00 0.00 54.97 55.71 1slj s GLU 108 Cb -0.11 -5.03 0.23 0.00 0.26 0.00 0.00 34.13 29.48 1slj s GLU 108 CO 0.49 -3.23 1.12 2.89 -0.54 0.00 0.00 175.26 175.99 1slj n ARG 109 N 8.89 2.15 0.00 4.30 1.85 -1.26 -4.88 116.66 127.70 1slj n ARG 109 Ca 0.38 -1.75 0.00 0.00 -1.00 0.00 0.00 57.85 55.48 1slj n ARG 109 Cb 0.48 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.65 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 0.50 2.76 0.08 2.89 0.00 -1.26 -4.84 105.19 105.32 1slj n GLY 110 Ca 0.09 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.94 -3.38 115.58 115.99 1slj h ASN 111 Ca 0.00 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.44 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 0.01 -0.91 1.17 -1.29 0.00 0.00 177.43 176.41 1slj n LYS 112 N -5.10 0.99 0.00 0.81 3.00 -1.26 -5.12 118.16 111.49 1slj n LYS 112 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1slj n LYS 112 Cb 0.10 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 34.18 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 3.17 0.43 3.55 3.14 0.00 -1.26 -4.65 105.19 109.58 1slj n GLY 113 Ca 0.00 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 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 2.24 -0.22 4.61 0.00 -1.26 -3.31 121.76 121.82 1slj s ALA 114 Ca 0.00 -1.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 1slj s ALA 114 Cb 0.00 -4.37 -0.04 0.00 0.00 0.00 0.00 23.12 18.71 1slj s ALA 114 CO 0.00 -3.94 0.09 0.00 0.00 0.00 0.00 175.76 171.91 1slj s ALA 115 N 8.16 3.33 0.40 0.00 0.00 -0.94 -0.74 121.76 131.97 1slj s ALA 115 Ca 0.59 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 1slj s ALA 115 Cb -0.09 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 1slj s ALA 115 CO 0.12 -0.20 0.65 -0.51 0.00 0.00 0.00 175.76 175.81 1slj s LEU 116 N 1.09 3.86 0.04 0.00 1.43 -1.25 -2.75 118.68 121.11 1slj s LEU 116 Ca 0.05 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 1slj s LEU 116 Cb -0.14 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1slj s LEU 116 CO 0.04 -0.41 -0.05 0.28 0.23 0.00 0.00 176.35 176.44 1slj s THR 117 N -2.48 0.36 -0.20 5.49 -1.32 -1.12 -4.68 115.64 111.69 1slj s THR 117 Ca 0.43 -1.29 0.15 0.00 -1.21 0.00 0.00 61.69 59.77 1slj s THR 117 Cb -0.10 -0.82 0.45 0.00 -1.51 0.00 0.00 72.50 70.51 1slj s THR 117 CO 0.39 -0.61 1.18 0.35 -2.21 0.00 0.00 174.62 173.73 1slj n THR 118 N 1.03 1.74 -0.76 5.08 -2.24 -1.26 -3.82 114.28 114.05 1slj n THR 118 Ca -0.20 -3.06 -0.06 0.00 -2.27 0.00 0.00 64.05 58.46 1slj n THR 118 Cb 0.57 -0.03 -0.08 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 -0.61 0.04 -4.56 4.78 3.72 -1.26 -4.45 117.46 115.11 1slj n PHE 119 Ca 0.22 -1.27 -0.26 0.00 -0.05 0.00 0.00 57.45 56.09 1slj n PHE 119 Cb 0.88 -1.06 -0.11 0.00 -0.94 0.00 0.00 39.48 38.25 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 0.43 1.95 -0.13 4.37 1.01 -1.26 -5.03 121.20 122.54 1slj s ILE 120 Ca 0.34 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 58.93 1slj s ILE 120 Cb 0.16 -2.83 0.15 0.00 0.01 0.00 0.00 42.46 39.95 1slj s ILE 120 CO -0.00 -0.08 1.50 -1.54 0.00 0.00 0.00 174.94 174.82 1slj n SER 121 N -0.86 4.15 -4.06 3.58 3.41 -1.26 -4.66 113.62 113.92 1slj n SER 121 Ca -0.05 -2.53 -0.33 0.00 -0.26 0.00 0.00 58.87 55.70 1slj n SER 121 Cb 0.66 -0.76 -0.14 0.00 -0.26 0.00 0.00 64.21 63.71 1slj n SER 121 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1slj s LEU 122 N -0.88 4.95 -0.24 1.04 -0.00 -1.26 -4.84 118.68 117.45 1slj s LEU 122 Ca 0.15 -2.09 0.09 0.00 -0.00 0.00 0.00 54.13 52.28 1slj s LEU 122 Cb 0.12 -1.71 0.29 0.00 -0.00 0.00 0.00 46.19 44.89 1slj s LEU 122 CO 0.02 -0.44 1.34 0.00 -0.00 0.00 0.00 176.35 177.26 1slj n ALA 123 N 4.39 2.70 -0.88 1.48 0.00 -1.26 -3.95 120.51 122.99 1slj n ALA 123 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1slj n ALA 123 Cb 0.42 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.10 0.27 0.00 0.00 0.00 -1.26 -3.79 105.19 99.31 1slj n GLY 124 Ca -0.19 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1slj n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76