#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dat s ILE 2 N 0.00 4.88 -0.24 3.17 1.01 -0.32 -5.00 121.20 124.70 3dat s ILE 2 Ca 0.00 0.82 -0.12 0.00 0.00 0.00 0.00 60.65 61.34 3dat s ILE 2 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 3dat s ILE 2 CO 0.00 -0.24 0.24 -0.69 0.00 0.00 0.00 174.94 174.26 3dat s VAL 3 N 2.73 5.29 -0.07 2.92 1.01 -1.26 -0.65 120.40 130.38 3dat s VAL 3 Ca 0.26 0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.64 3dat s VAL 3 Cb -0.14 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 3dat s VAL 3 CO 0.13 0.28 -0.23 -0.44 0.00 0.00 0.00 175.10 174.85 3dat s SER 4 N 1.27 3.27 0.16 3.32 0.01 0.19 -0.29 113.70 121.62 3dat s SER 4 Ca 0.11 -0.46 -0.16 0.00 1.31 0.00 0.00 55.95 56.75 3dat s SER 4 Cb -0.15 -0.94 -0.07 0.00 0.21 0.00 0.00 66.02 65.07 3dat s SER 4 CO 0.07 0.24 0.60 -0.36 0.41 0.00 0.00 173.24 174.20 3dat s PHE 5 N -0.16 3.64 -0.22 2.43 0.40 -0.51 0.10 117.98 123.66 3dat s PHE 5 Ca -0.03 1.17 -0.03 0.00 -0.60 0.00 0.00 56.93 57.45 3dat s PHE 5 Cb -0.14 -2.45 0.07 0.00 0.51 0.00 0.00 43.02 41.01 3dat s PHE 5 CO 0.04 0.42 0.05 1.41 0.70 0.00 0.00 175.22 177.84 3dat s MET 6 N -1.86 0.63 0.02 0.44 -2.45 -0.23 -0.52 119.30 115.33 3dat s MET 6 Ca 0.38 -0.56 0.02 0.00 -1.25 0.00 0.00 55.69 54.29 3dat s MET 6 Cb -0.16 -2.02 -0.01 0.00 1.25 0.00 0.00 34.83 33.89 3dat s MET 6 CO 0.20 -0.74 -0.07 0.54 1.05 0.00 0.00 175.02 176.00 3dat s VAL 7 N 1.83 0.55 -0.16 10.11 0.11 0.30 -4.51 120.40 128.63 3dat s VAL 7 Ca 0.02 -0.67 -0.07 0.00 -2.93 0.00 0.00 61.98 58.33 3dat s VAL 7 Cb -0.17 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 3dat s VAL 7 CO -0.13 -0.10 0.07 0.00 -3.33 0.00 0.00 175.10 171.61 3dat s ALA 8 N -0.73 3.50 0.01 1.54 0.00 -1.26 -1.62 121.76 123.20 3dat s ALA 8 Ca -0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 3dat s ALA 8 Cb -0.06 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.18 3dat s ALA 8 CO 0.00 0.32 0.15 0.00 0.00 0.00 0.00 175.76 176.23 3dat s MET 9 N -0.07 0.55 1.01 0.00 0.00 0.09 -4.63 119.30 116.26 3dat s MET 9 Ca 0.07 -0.50 -0.11 0.00 0.00 0.00 0.00 55.69 55.15 3dat s MET 9 Cb -0.12 0.22 0.20 0.00 0.00 0.00 0.00 34.83 35.14 3dat s MET 9 CO 0.01 -0.14 1.10 0.34 0.00 0.00 0.00 175.02 176.33 3dat s ASP 10 N -1.64 2.13 0.56 -1.18 2.15 -0.31 0.39 116.67 118.77 3dat s ASP 10 Ca -0.11 1.97 0.25 0.00 0.43 0.00 0.00 52.55 55.09 3dat s ASP 10 Cb -0.05 -2.49 1.61 0.00 -0.30 0.00 0.00 42.92 41.69 3dat s ASP 10 CO -0.00 -3.56 2.21 1.05 -0.17 0.00 0.00 175.17 174.69 3dat h GLU 11 N -2.19 0.00 -0.94 4.34 4.11 -1.13 -0.68 114.58 118.10 3dat h GLU 11 Ca -0.50 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.48 3dat h GLU 11 Cb 1.29 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.27 3dat h GLU 11 CO 0.44 0.01 0.57 0.09 0.07 0.00 0.00 179.01 180.19 3dat n ASN 12 N -4.08 3.90 -0.71 3.06 4.13 -1.26 -4.95 115.26 115.35 3dat n ASN 12 Ca -0.03 -3.55 -0.09 0.00 1.68 0.00 0.00 54.58 52.59 3dat n ASN 12 Cb 0.09 -0.82 -0.04 0.00 -1.54 0.00 0.00 39.78 37.48 3dat n ASN 12 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3dat n ARG 13 N -0.98 -1.63 -2.12 3.52 1.74 -0.26 -4.97 116.66 111.96 3dat n ARG 13 Ca 0.56 0.81 -0.42 0.00 -0.77 0.00 0.00 57.85 58.03 3dat n ARG 13 Cb 1.61 -5.18 -0.03 0.00 -1.02 0.00 0.00 32.46 27.84 3dat n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dat s VAL 14 N -1.85 3.14 -0.19 1.55 1.01 -1.26 -0.95 120.40 121.85 3dat s VAL 14 Ca 0.00 0.83 0.05 0.00 0.00 0.00 0.00 61.98 62.86 3dat s VAL 14 Cb 0.00 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 3dat s VAL 14 CO 0.00 0.07 0.19 2.30 0.00 0.00 0.00 175.10 177.66 3dat n ILE 15 N 3.85 0.00 -3.51 2.22 -5.35 0.17 -1.16 119.36 115.59 3dat n ILE 15 Ca 0.12 -0.33 -0.09 0.00 -0.27 0.00 0.00 62.75 62.18 3dat n ILE 15 Cb 0.41 0.89 -0.02 0.00 -1.74 0.00 0.00 39.64 39.18 3dat n ILE 15 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dat s GLY 16 N -1.67 -0.46 0.09 3.28 0.00 -1.05 -4.60 107.32 102.91 3dat s GLY 16 Ca 0.01 1.06 0.00 0.00 0.00 0.00 0.00 44.72 45.79 3dat s GLY 16 CO 0.20 0.37 0.00 0.28 0.00 0.00 0.00 173.10 173.96 3dat n LYS 17 N -0.19 0.00 0.00 2.90 4.01 -0.36 -0.50 118.16 124.01 3dat n LYS 17 Ca -0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 3dat n LYS 17 Cb 0.62 -0.28 0.00 0.00 -0.51 0.00 0.00 35.03 34.85 3dat n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3dat n ASP 18 N -3.19 0.00 -2.70 4.39 9.92 -1.26 -4.52 116.55 119.19 3dat n ASP 18 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 3dat n ASP 18 Cb 0.00 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.53 3dat n ASP 18 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3dat n ASN 19 N 0.00 0.86 -3.63 -2.24 4.05 -1.26 -5.05 115.26 107.98 3dat n ASN 19 Ca 0.00 -2.54 -0.10 0.00 0.45 0.00 0.00 54.58 52.39 3dat n ASN 19 Cb 0.00 -0.25 -0.04 0.00 1.23 0.00 0.00 39.78 40.73 3dat n ASN 19 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 3dat s ASN 20 N -2.88 -0.31 0.32 1.20 0.01 -1.26 -4.40 114.94 107.62 3dat s ASN 20 Ca 0.26 -0.32 -0.29 0.00 -0.71 0.00 0.00 52.86 51.80 3dat s ASN 20 Cb 0.43 0.54 -0.10 0.00 0.41 0.00 0.00 41.25 42.53 3dat s ASN 20 CO 0.00 -0.96 1.31 -0.76 -1.51 0.00 0.00 177.10 175.19 3dat s LEU 21 N -2.82 4.43 0.00 0.60 1.43 -1.26 -1.23 118.68 119.83 3dat s LEU 21 Ca 0.05 2.68 0.16 0.00 -1.03 0.00 0.00 54.13 55.99 3dat s LEU 21 Cb 0.00 -3.65 0.94 0.00 0.03 0.00 0.00 46.19 43.51 3dat s LEU 21 CO -0.09 -0.54 1.46 -0.81 0.23 0.00 0.00 176.35 176.60 3dat n PRO 22 N 0.90 0.79 -4.27 1.29 -0.05 -1.26 -4.76 135.00 127.64 3dat n PRO 22 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 63.50 63.29 3dat n PRO 22 Cb 0.42 -1.31 -0.09 0.00 -0.05 0.00 0.00 33.50 32.46 3dat n PRO 22 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 175.50 177.12 3dat s TRP 23 N -2.00 1.51 -0.36 0.54 -2.14 -1.26 -5.03 118.94 110.21 3dat s TRP 23 Ca 0.24 -1.48 0.00 0.00 2.66 0.00 0.00 56.10 57.51 3dat s TRP 23 Cb 0.11 -0.71 0.14 0.00 -3.10 0.00 0.00 33.47 29.91 3dat s TRP 23 CO 0.18 -0.69 0.22 0.50 -2.66 0.00 0.00 176.95 174.50 3dat s ARG 24 N -3.79 0.59 -0.49 3.25 3.52 -1.26 -5.09 118.95 115.67 3dat s ARG 24 Ca 0.39 -1.39 0.03 0.00 -0.13 0.00 0.00 55.73 54.62 3dat s ARG 24 Cb 0.05 -1.34 0.13 0.00 -1.56 0.00 0.00 34.95 32.22 3dat s ARG 24 CO 0.19 -1.22 0.24 -0.51 -0.81 0.00 0.00 175.30 173.20 3dat s LEU 25 N 1.00 4.61 0.46 -0.88 1.02 -1.26 -4.71 118.68 118.92 3dat s LEU 25 Ca 0.19 -2.76 0.14 0.00 0.02 0.00 0.00 54.13 51.72 3dat s LEU 25 Cb -0.22 -1.68 1.06 0.00 0.02 0.00 0.00 46.19 45.37 3dat s LEU 25 CO -0.00 -0.30 2.03 1.55 0.02 0.00 0.00 176.35 179.65 3dat h PRO 26 N 6.90 0.04 0.00 1.29 0.13 -1.99 -2.22 132.00 136.14 3dat h PRO 26 Ca -0.06 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.96 3dat h PRO 26 Cb 0.94 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 3dat h PRO 26 CO 0.66 0.15 -0.46 1.03 -0.23 0.00 0.00 178.00 179.15 3dat h SER 27 N 0.04 0.00 -0.35 1.44 0.87 -1.94 -2.90 113.55 110.71 3dat h SER 27 Ca 0.01 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 3dat h SER 27 Cb 0.22 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3dat h SER 27 CO 0.01 0.46 0.06 -0.08 -0.53 0.00 0.00 176.83 176.75 3dat h GLU 28 N 0.00 0.66 0.00 2.24 4.22 -1.79 -2.51 114.58 117.41 3dat h GLU 28 Ca -0.00 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 59.30 3dat h GLU 28 Cb 0.90 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3dat h GLU 28 CO 0.06 0.64 0.00 1.28 -2.18 0.00 0.00 179.01 178.81 3dat n LEU 29 N -4.28 0.00 -0.07 1.64 4.77 -1.10 -2.91 117.00 115.05 3dat n LEU 29 Ca 0.03 0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 56.45 3dat n LEU 29 Cb 0.23 -0.50 -0.13 0.00 -2.33 0.00 0.00 43.42 40.69 3dat n LEU 29 CO 0.39 -0.30 -0.99 0.00 -1.33 0.00 0.00 177.39 175.16 3dat n GLN 30 N -1.50 1.20 -0.16 3.23 1.13 -0.95 -1.19 117.38 119.15 3dat n GLN 30 Ca 0.03 -0.03 -0.09 0.00 -1.94 0.00 0.00 57.00 54.96 3dat n GLN 30 Cb 0.13 -1.42 0.04 0.00 0.11 0.00 0.00 30.24 29.10 3dat n GLN 30 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 3dat h TYR 31 N 0.00 1.09 -0.28 1.08 3.20 -1.55 -1.97 116.97 118.55 3dat h TYR 31 Ca -0.38 -0.23 -0.08 0.00 3.14 0.00 0.00 58.73 61.18 3dat h TYR 31 Cb 1.84 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.84 3dat h TYR 31 CO 0.00 1.03 -0.13 0.28 -1.64 0.00 0.00 178.16 177.70 3dat h VAL 32 N 0.86 1.29 -0.02 1.81 2.07 -1.60 -0.91 116.25 119.75 3dat h VAL 32 Ca 0.13 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3dat h VAL 32 Cb 0.69 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3dat h VAL 32 CO 0.05 0.38 0.01 0.50 0.02 0.00 0.00 177.57 178.53 3dat h LYS 33 N 0.32 0.02 -0.14 1.57 3.64 -1.11 -2.53 116.57 118.34 3dat h LYS 33 Ca 0.06 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 3dat h LYS 33 Cb 0.64 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3dat h LYS 33 CO 0.04 0.04 -0.63 0.87 -2.27 0.00 0.00 179.45 177.50 3dat h LYS 34 N -0.00 0.50 -0.34 1.90 1.57 -1.26 -2.27 116.57 116.67 3dat h LYS 34 Ca 0.01 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 3dat h LYS 34 Cb 0.02 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3dat h LYS 34 CO -0.00 0.97 0.09 1.15 -0.57 0.00 0.00 179.45 181.09 3dat h THR 35 N 0.37 1.22 0.00 -0.16 2.02 -1.17 -3.27 112.91 111.92 3dat h THR 35 Ca -0.01 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3dat h THR 35 Cb 1.19 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 3dat h THR 35 CO 0.11 0.25 -0.31 0.35 0.37 0.00 0.00 175.52 176.29 3dat n THR 36 N -4.64 0.07 -1.68 3.16 -2.24 -0.96 -4.92 114.28 103.07 3dat n THR 36 Ca -0.02 -0.04 -0.46 0.00 -2.27 0.00 0.00 64.05 61.27 3dat n THR 36 Cb 0.19 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 3dat n THR 36 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 3dat n MET 37 N -1.60 2.43 -0.46 -0.78 1.56 -0.86 -1.65 117.12 115.77 3dat n MET 37 Ca 0.06 0.89 0.00 0.00 -0.27 0.00 0.00 57.70 58.38 3dat n MET 37 Cb 0.35 -2.75 0.00 0.00 2.15 0.00 0.00 33.22 32.97 3dat n MET 37 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3dat n GLY 38 N 4.24 0.72 2.95 -5.12 0.00 -1.00 -5.05 105.19 101.93 3dat n GLY 38 Ca 0.20 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 3dat n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dat s HIS 39 N -2.00 0.03 0.47 1.61 3.76 -0.66 -4.98 115.29 113.53 3dat s HIS 39 Ca 0.00 -0.06 -0.23 0.00 -0.15 0.00 0.00 55.06 54.62 3dat s HIS 39 Cb 0.00 -0.04 -0.07 0.00 1.11 0.00 0.00 32.58 33.58 3dat s HIS 39 CO 0.00 -0.09 1.28 -2.14 -0.85 0.00 0.00 174.74 172.94 3dat s PRO 40 N -0.45 3.60 -0.13 8.40 0.02 -1.26 -3.82 135.00 141.36 3dat s PRO 40 Ca -0.05 2.05 0.02 0.00 0.02 0.00 0.00 61.00 63.04 3dat s PRO 40 Cb -0.03 -2.46 0.01 0.00 0.02 0.00 0.00 34.50 32.04 3dat s PRO 40 CO -0.00 -0.76 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.22 3dat s LEU 41 N -3.03 1.88 -0.19 -5.54 1.02 0.17 -2.30 118.68 110.69 3dat s LEU 41 Ca 0.64 -0.51 -0.05 0.00 0.02 0.00 0.00 54.13 54.24 3dat s LEU 41 Cb -0.36 -1.24 -0.03 0.00 0.02 0.00 0.00 46.19 44.59 3dat s LEU 41 CO 0.44 0.03 -0.00 -0.63 0.02 0.00 0.00 176.35 176.21 3dat s ILE 42 N 0.98 3.99 -0.05 -0.59 1.01 -0.68 -0.57 121.20 125.27 3dat s ILE 42 Ca -0.05 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.22 3dat s ILE 42 Cb -0.15 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.54 3dat s ILE 42 CO -0.03 0.44 0.18 0.00 0.00 0.00 0.00 174.94 175.53 3dat s MET 43 N 0.89 0.29 0.72 2.79 0.23 -0.57 -0.15 119.30 123.51 3dat s MET 43 Ca 0.01 0.11 -0.13 0.00 -1.03 0.00 0.00 55.69 54.65 3dat s MET 43 Cb -0.14 0.13 0.03 0.00 -1.53 0.00 0.00 34.83 33.32 3dat s MET 43 CO 0.02 -0.05 1.10 0.20 -2.03 0.00 0.00 175.02 174.26 3dat s GLY 44 N -0.27 1.89 0.41 3.16 0.00 -0.85 -1.29 107.32 110.38 3dat s GLY 44 Ca -0.04 0.39 0.20 0.00 0.00 0.00 0.00 44.72 45.27 3dat s GLY 44 CO 0.01 0.73 1.80 0.07 0.00 0.00 0.00 173.10 175.71 3dat h ARG 45 N -0.60 0.00 -0.52 2.90 -0.00 -1.60 -1.11 114.38 113.45 3dat h ARG 45 Ca -0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.49 3dat h ARG 45 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.19 3dat h ARG 45 CO 0.53 0.31 0.15 0.87 -0.00 0.00 0.00 179.97 181.82 3dat h LYS 46 N 0.00 0.82 0.29 0.08 1.57 -1.92 -1.05 116.57 116.36 3dat h LYS 46 Ca -0.00 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3dat h LYS 46 Cb 0.77 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 3dat h LYS 46 CO 0.04 0.77 -0.50 -0.97 -0.57 0.00 0.00 179.45 178.22 3dat h ASN 47 N 0.72 -1.45 -0.74 0.86 -1.24 -1.75 -2.93 115.58 109.06 3dat h ASN 47 Ca 0.17 0.14 0.14 0.00 0.71 0.00 0.00 56.30 57.45 3dat h ASN 47 Cb 0.30 0.51 -0.14 0.00 0.73 0.00 0.00 38.32 39.72 3dat h ASN 47 CO -0.00 -0.59 -0.26 0.22 -1.29 0.00 0.00 177.43 175.51 3dat h TYR 48 N -0.84 -0.65 0.00 0.67 3.20 -1.03 0.31 116.97 118.63 3dat h TYR 48 Ca -0.03 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3dat h TYR 48 Cb 0.78 0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.45 3dat h TYR 48 CO -0.36 -0.36 0.01 0.93 -1.64 0.00 0.00 178.16 176.74 3dat h GLU 49 N -0.05 0.00 0.00 1.82 5.08 -1.13 0.51 114.58 120.81 3dat h GLU 49 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3dat h GLU 49 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3dat h GLU 49 CO -0.78 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 177.17 3dat n ALA 50 N -2.05 2.41 -0.08 3.43 0.00 0.11 -3.82 120.51 120.51 3dat n ALA 50 Ca -0.03 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 3dat n ALA 50 Cb 0.07 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.01 3dat n ALA 50 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dat n ILE 51 N -1.81 0.91 -0.69 0.00 5.41 0.14 -4.97 119.36 118.35 3dat n ILE 51 Ca 0.06 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.40 3dat n ILE 51 Cb 0.38 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 3dat n ILE 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dat n GLY 52 N 2.56 1.11 3.47 7.39 0.00 0.92 -4.93 105.19 115.71 3dat n GLY 52 Ca -0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 3dat n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dat s ARG 53 N -0.18 1.15 0.19 1.61 1.70 -1.26 -5.06 118.95 117.10 3dat s ARG 53 Ca 0.00 -0.09 -0.30 0.00 -0.47 0.00 0.00 55.73 54.87 3dat s ARG 53 Cb 0.00 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.83 3dat s ARG 53 CO 0.00 -0.43 1.33 -1.25 -1.08 0.00 0.00 175.30 173.87 3dat s PRO 54 N -2.35 4.37 -0.26 3.89 0.04 -1.26 -5.01 135.00 134.42 3dat s PRO 54 Ca -0.06 2.07 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 3dat s PRO 54 Cb -0.00 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 3dat s PRO 54 CO -0.00 -0.29 0.62 -0.51 0.04 0.00 0.00 177.00 176.86 3dat s LEU 55 N 0.01 4.06 0.81 -3.56 1.02 -1.26 -5.04 118.68 114.71 3dat s LEU 55 Ca 0.58 0.68 -0.12 0.00 0.02 0.00 0.00 54.13 55.28 3dat s LEU 55 Cb -0.37 -2.83 0.08 0.00 0.02 0.00 0.00 46.19 43.09 3dat s LEU 55 CO 0.38 -0.36 1.16 -2.84 0.02 0.00 0.00 176.35 174.71 3dat s PRO 56 N 2.49 1.73 0.00 1.29 0.02 -1.26 -3.68 135.00 135.59 3dat s PRO 56 Ca 0.26 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3dat s PRO 56 Cb -0.15 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3dat s PRO 56 CO 0.09 -2.11 0.00 0.41 -0.33 0.00 0.00 177.00 175.06 3dat n GLY 57 N 0.07 1.61 3.11 0.52 0.00 -1.26 -4.91 105.19 104.34 3dat n GLY 57 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 3dat n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dat s ARG 58 N -0.04 0.66 -0.31 1.61 0.52 -1.24 -2.38 118.95 117.77 3dat s ARG 58 Ca 0.00 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.08 3dat s ARG 58 Cb 0.00 -0.53 -0.00 0.00 0.52 0.00 0.00 34.95 34.94 3dat s ARG 58 CO 0.00 0.11 1.38 1.03 0.02 0.00 0.00 175.30 177.84 3dat s ARG 59 N -1.63 3.83 -0.29 3.54 0.52 -1.25 -4.86 118.95 118.80 3dat s ARG 59 Ca -0.06 1.26 -0.16 0.00 -0.52 0.00 0.00 55.73 56.25 3dat s ARG 59 Cb -0.10 -3.93 -0.02 0.00 0.52 0.00 0.00 34.95 31.41 3dat s ARG 59 CO 0.01 -1.23 0.44 -0.80 0.02 0.00 0.00 175.30 173.74 3dat s ASN 60 N 3.25 6.30 -0.12 0.23 0.02 -1.26 0.45 114.94 123.81 3dat s ASN 60 Ca 0.60 0.21 0.03 0.00 -1.02 0.00 0.00 52.86 52.68 3dat s ASN 60 Cb -0.18 -2.24 0.01 0.00 0.02 0.00 0.00 41.25 38.87 3dat s ASN 60 CO 0.26 -0.29 -0.20 -0.63 0.02 0.00 0.00 177.10 176.25 3dat s ILE 61 N 2.20 1.88 -0.13 0.60 1.01 0.26 -0.66 121.20 126.36 3dat s ILE 61 Ca 0.17 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.95 3dat s ILE 61 Cb -0.16 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.64 3dat s ILE 61 CO 0.11 0.52 -0.19 -0.63 0.00 0.00 0.00 174.94 174.74 3dat s ILE 62 N 0.75 2.45 -0.31 2.92 1.01 -1.06 -1.51 121.20 125.45 3dat s ILE 62 Ca -0.10 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 3dat s ILE 62 Cb -0.16 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 3dat s ILE 62 CO 0.01 0.54 0.21 -0.69 0.00 0.00 0.00 174.94 175.01 3dat s VAL 63 N 0.51 5.24 0.01 2.92 1.01 -0.41 -1.40 120.40 128.29 3dat s VAL 63 Ca -0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 3dat s VAL 63 Cb -0.17 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3dat s VAL 63 CO 0.05 0.12 0.01 -0.89 0.00 0.00 0.00 175.10 174.39 3dat s THR 64 N 1.73 0.10 -1.20 3.92 2.01 -0.98 -1.44 115.64 119.77 3dat s THR 64 Ca 0.06 -0.83 0.27 0.00 0.31 0.00 0.00 61.69 61.50 3dat s THR 64 Cb -0.17 -0.30 0.34 0.00 0.01 0.00 0.00 72.50 72.39 3dat s THR 64 CO 0.10 -0.45 1.88 0.54 -0.69 0.00 0.00 174.62 176.00 3dat n ARG 65 N 1.61 0.18 -2.92 4.92 1.74 -1.26 -3.68 116.66 117.26 3dat n ARG 65 Ca -0.23 0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.46 3dat n ARG 65 Cb 0.55 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.44 3dat n ARG 65 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3dat s ASN 66 N -2.80 6.44 0.64 0.55 3.84 -1.26 -4.92 114.94 117.44 3dat s ASN 66 Ca 0.19 -0.02 0.34 0.00 0.21 0.00 0.00 52.86 53.58 3dat s ASN 66 Cb 0.18 -2.40 1.87 0.00 -0.55 0.00 0.00 41.25 40.34 3dat s ASN 66 CO 0.45 -0.95 2.10 -0.08 -2.79 0.00 0.00 177.10 175.83 3dat h GLU 67 N 8.98 0.00 -0.15 0.43 4.81 -2.02 -2.19 114.58 124.44 3dat h GLU 67 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3dat h GLU 67 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3dat h GLU 67 CO 0.98 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.67 3dat n GLY 68 N -1.24 0.87 3.67 1.92 0.00 -1.26 -4.96 105.19 104.19 3dat n GLY 68 Ca -0.01 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 3dat n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dat s TYR 69 N -1.05 3.10 -0.04 1.61 5.04 -0.83 -5.03 117.35 120.16 3dat s TYR 69 Ca 0.19 1.19 -0.03 0.00 -2.44 0.00 0.00 57.07 55.98 3dat s TYR 69 Cb 0.12 -3.42 0.01 0.00 0.35 0.00 0.00 41.96 39.02 3dat s TYR 69 CO 0.17 -1.29 0.10 -1.01 -1.34 0.00 0.00 175.55 172.17 3dat s HIS 70 N 2.76 -0.11 -0.04 4.97 3.76 -1.26 -4.95 115.29 120.42 3dat s HIS 70 Ca 0.54 0.26 0.00 0.00 -0.15 0.00 0.00 55.06 55.71 3dat s HIS 70 Cb -0.22 0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.53 3dat s HIS 70 CO 0.17 -0.05 -0.02 0.54 -0.85 0.00 0.00 174.74 174.53 3dat s VAL 71 N 0.05 0.37 0.38 -0.90 0.11 -1.26 -5.12 120.40 114.02 3dat s VAL 71 Ca -0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.78 3dat s VAL 71 Cb -0.01 -0.45 -0.11 0.00 -1.53 0.00 0.00 36.38 34.29 3dat s VAL 71 CO 0.00 0.20 1.46 -1.83 -3.33 0.00 0.00 175.10 171.60 3dat s GLU 72 N 1.17 4.11 0.00 1.54 -1.05 -1.26 -2.07 118.70 121.14 3dat s GLU 72 Ca -0.07 2.51 0.00 0.00 -0.15 0.00 0.00 54.97 57.26 3dat s GLU 72 Cb -0.14 -2.95 0.00 0.00 -0.44 0.00 0.00 34.13 30.60 3dat s GLU 72 CO -0.02 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.09 3dat n GLY 73 N 0.51 0.53 3.17 -3.83 0.00 -1.26 -4.85 105.19 99.46 3dat n GLY 73 Ca 0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 3dat n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dat s GLU 75 N -1.96 2.44 -0.05 0.00 8.01 0.16 -4.71 118.70 122.59 3dat s GLU 75 Ca -0.10 -1.06 -0.05 0.00 0.01 0.00 0.00 54.97 53.78 3dat s GLU 75 Cb -0.04 -2.55 0.01 0.00 -4.31 0.00 0.00 34.13 27.25 3dat s GLU 75 CO -0.01 -0.75 0.15 0.08 0.01 0.00 0.00 175.26 174.75 3dat s VAL 76 N -2.71 -0.00 -0.02 2.63 1.01 -1.26 -2.57 120.40 117.48 3dat s VAL 76 Ca 0.59 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.58 3dat s VAL 76 Cb -0.09 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.09 3dat s VAL 76 CO 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 175.10 175.46 3dat s ALA 77 N 0.08 0.41 -0.72 5.51 0.00 -0.49 -4.91 121.76 121.64 3dat s ALA 77 Ca -0.00 -0.02 0.16 0.00 0.00 0.00 0.00 51.96 52.11 3dat s ALA 77 Cb -0.01 -0.25 0.78 0.00 0.00 0.00 0.00 23.12 23.64 3dat s ALA 77 CO 0.00 0.01 1.69 0.72 0.00 0.00 0.00 175.76 178.18 3dat n HIS 78 N 3.65 1.80 -3.58 0.00 8.25 -1.24 -2.33 115.22 121.76 3dat n HIS 78 Ca -0.21 -0.66 -0.11 0.00 -0.26 0.00 0.00 57.72 56.48 3dat n HIS 78 Cb 0.54 -0.38 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 3dat n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3dat s SER 79 N -0.84 -0.39 0.12 0.41 0.15 -1.26 -4.73 113.70 107.16 3dat s SER 79 Ca 0.53 0.44 -0.17 0.00 0.70 0.00 0.00 55.95 57.45 3dat s SER 79 Cb 0.37 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.99 3dat s SER 79 CO 0.21 -0.35 1.63 0.58 1.20 0.00 0.00 173.24 176.51 3dat h VAL 80 N 2.63 1.20 -0.54 4.45 2.07 -1.96 -1.46 116.25 122.65 3dat h VAL 80 Ca -0.19 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3dat h VAL 80 Cb 1.16 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3dat h VAL 80 CO 0.31 0.23 0.20 1.05 0.02 0.00 0.00 177.57 179.37 3dat h GLU 81 N 0.38 0.78 -0.33 1.57 -0.00 -1.98 -0.34 114.58 114.65 3dat h GLU 81 Ca 0.11 -0.12 -0.12 0.00 -0.00 0.00 0.00 59.36 59.22 3dat h GLU 81 Cb 0.24 -0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 28.85 3dat h GLU 81 CO -0.00 0.65 -0.30 1.49 -0.00 0.00 0.00 179.01 180.84 3dat h GLU 82 N 0.77 0.71 0.09 1.06 4.81 -1.92 0.39 114.58 120.48 3dat h GLU 82 Ca 0.18 -0.32 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3dat h GLU 82 Cb 0.17 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3dat h GLU 82 CO -0.02 0.92 -0.11 0.28 -0.73 0.00 0.00 179.01 179.35 3dat h VAL 83 N 0.60 0.74 -0.33 0.32 2.07 -0.89 0.97 116.25 119.73 3dat h VAL 83 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3dat h VAL 83 Cb 0.81 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3dat h VAL 83 CO 0.07 0.00 0.07 -0.26 0.02 0.00 0.00 177.57 177.47 3dat h PHE 84 N -0.24 0.49 -0.42 1.57 -1.00 -0.72 -0.59 116.94 116.04 3dat h PHE 84 Ca 0.01 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.71 3dat h PHE 84 Cb 0.24 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 3dat h PHE 84 CO -0.13 0.44 0.06 1.49 -1.61 0.00 0.00 178.31 178.56 3dat h GLU 85 N 0.48 0.69 -0.13 1.51 4.57 0.16 -2.66 114.58 119.20 3dat h GLU 85 Ca 0.11 -0.19 -0.08 0.00 -1.18 0.00 0.00 59.36 58.03 3dat h GLU 85 Cb 0.20 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3dat h GLU 85 CO -0.00 0.74 -0.27 -0.07 -1.18 0.00 0.00 179.01 178.22 3dat h LEU 86 N 0.55 0.23 -3.39 1.64 3.38 -0.22 -3.03 115.31 114.46 3dat h LEU 86 Ca 0.13 -0.07 -0.36 0.00 0.09 0.00 0.00 57.88 57.66 3dat h LEU 86 Cb 0.38 -0.06 -0.21 0.00 0.09 0.00 0.00 40.66 40.87 3dat h LEU 86 CO 0.01 0.50 0.46 0.00 0.09 0.00 0.00 178.44 179.51 3dat h LYS 88 N 0.81 -0.01 -0.10 0.00 2.10 -1.40 -1.68 116.57 116.30 3dat h LYS 88 Ca 0.42 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.01 3dat h LYS 88 Cb 2.06 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 33.33 3dat h LYS 88 CO 0.79 -0.01 -0.54 0.27 -2.00 0.00 0.00 179.45 177.96 3dat n ASN 89 N -5.54 2.12 -4.86 7.07 2.04 -1.26 -5.05 115.26 109.78 3dat n ASN 89 Ca 0.12 -3.89 -0.31 0.00 -0.44 0.00 0.00 54.58 50.06 3dat n ASN 89 Cb 0.43 -0.51 -0.01 0.00 -2.53 0.00 0.00 39.78 37.16 3dat n ASN 89 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 3dat s GLU 90 N -3.28 3.76 -0.24 -3.83 2.56 -0.63 -5.03 118.70 112.01 3dat s GLU 90 Ca 0.40 0.81 -0.17 0.00 0.00 0.00 0.00 54.97 56.00 3dat s GLU 90 Cb 0.38 -2.13 -0.14 0.00 2.00 0.00 0.00 34.13 34.23 3dat s GLU 90 CO -0.06 -0.40 -0.13 -0.85 -0.56 0.00 0.00 175.26 173.27 3dat n GLU 91 N -2.14 0.57 -4.21 4.30 0.28 -1.26 -4.65 120.64 113.53 3dat n GLU 91 Ca 0.06 0.39 -0.16 0.00 -0.16 0.00 0.00 57.16 57.29 3dat n GLU 91 Cb 0.54 -1.60 -0.11 0.00 1.43 0.00 0.00 31.44 31.70 3dat n GLU 91 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 3dat s GLU 92 N -2.46 0.92 -0.03 3.44 -1.05 -1.26 -1.17 118.70 117.10 3dat s GLU 92 Ca -0.34 -1.17 -0.00 0.00 -0.15 0.00 0.00 54.97 53.31 3dat s GLU 92 Cb 0.10 -0.74 0.03 0.00 -0.44 0.00 0.00 34.13 33.08 3dat s GLU 92 CO 0.52 0.14 0.02 0.42 0.95 0.00 0.00 175.26 177.31 3dat s ILE 93 N -2.16 0.01 -0.38 1.83 -1.09 0.18 -4.54 121.20 115.05 3dat s ILE 93 Ca 0.06 0.20 -0.12 0.00 -2.23 0.00 0.00 60.65 58.56 3dat s ILE 93 Cb -0.05 -0.15 0.02 0.00 -1.58 0.00 0.00 42.46 40.71 3dat s ILE 93 CO 0.02 0.12 0.24 -0.36 -1.23 0.00 0.00 174.94 173.72 3dat s PHE 94 N 1.18 3.24 -0.42 3.97 0.08 -0.97 0.55 117.98 125.60 3dat s PHE 94 Ca -0.08 -0.80 -0.29 0.00 0.12 0.00 0.00 56.93 55.88 3dat s PHE 94 Cb -0.13 -2.49 0.02 0.00 -0.57 0.00 0.00 43.02 39.85 3dat s PHE 94 CO -0.03 -0.61 1.20 0.42 -0.10 0.00 0.00 175.22 176.10 3dat s ILE 95 N 1.60 4.18 -2.56 0.64 -1.09 0.28 -1.69 121.20 122.57 3dat s ILE 95 Ca 0.03 1.24 0.23 0.00 -2.23 0.00 0.00 60.65 59.93 3dat s ILE 95 Cb -0.19 -4.45 0.40 0.00 -1.58 0.00 0.00 42.46 36.63 3dat s ILE 95 CO 0.08 -0.83 1.39 0.33 -1.23 0.00 0.00 174.94 174.68 3dat n PHE 96 N 7.88 0.43 -4.05 3.97 7.35 0.79 -1.06 117.46 132.76 3dat n PHE 96 Ca 0.13 -0.21 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 3dat n PHE 96 Cb 0.48 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.31 3dat n PHE 96 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dat n GLY 97 N 1.49 -0.73 0.00 7.13 0.00 -1.23 -4.89 105.19 106.95 3dat n GLY 97 Ca 0.19 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3dat n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dat n GLY 98 N 0.00 -0.01 0.22 -0.02 0.00 -1.26 -2.00 105.19 102.12 3dat n GLY 98 Ca 0.00 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.71 3dat n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dat h ALA 99 N 0.00 1.37 -0.92 4.61 0.00 -1.97 -0.77 119.26 121.58 3dat h ALA 99 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3dat h ALA 99 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3dat h ALA 99 CO 0.00 0.44 0.61 1.96 0.00 0.00 0.00 179.25 182.26 3dat h GLN 100 N 0.21 1.21 0.00 0.00 4.20 -1.93 0.13 115.11 118.93 3dat h GLN 100 Ca 0.04 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.49 3dat h GLN 100 Cb 0.53 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3dat h GLN 100 CO 0.04 0.80 -0.85 0.82 -0.67 0.00 0.00 178.83 178.97 3dat h ILE 101 N 1.25 1.59 -0.28 2.54 5.03 -1.79 -2.29 117.51 123.55 3dat h ILE 101 Ca 0.34 -2.86 -0.02 0.00 -0.12 0.00 0.00 64.86 62.20 3dat h ILE 101 Cb -0.14 2.55 -0.01 0.00 -3.03 0.00 0.00 36.82 36.19 3dat h ILE 101 CO -0.07 0.82 0.09 1.88 -0.68 0.00 0.00 178.15 180.18 3dat h TYR 102 N 0.02 0.46 -0.88 1.37 0.05 -0.68 -2.77 116.97 114.54 3dat h TYR 102 Ca -0.02 -0.05 0.16 0.00 0.05 0.00 0.00 58.73 58.88 3dat h TYR 102 Cb 1.50 -0.13 -0.10 0.00 1.01 0.00 0.00 36.73 39.01 3dat h TYR 102 CO 0.01 0.49 0.47 -0.44 -1.05 0.00 0.00 178.16 177.63 3dat h ASP 103 N 0.30 0.56 0.23 3.88 3.32 -0.66 -2.61 116.42 121.44 3dat h ASP 103 Ca 0.09 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3dat h ASP 103 Cb 0.25 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3dat h ASP 103 CO -0.00 0.22 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.43 3dat h LEU 104 N 0.64 0.00 -2.68 1.55 3.38 -1.12 -3.18 115.31 113.90 3dat h LEU 104 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3dat h LEU 104 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3dat h LEU 104 CO -0.38 0.23 0.00 0.49 0.09 0.00 0.00 178.44 178.87 3dat n PHE 105 N -4.26 0.58 -0.33 1.13 3.72 -1.00 -4.57 117.46 112.72 3dat n PHE 105 Ca -0.02 -0.44 0.02 0.00 -0.05 0.00 0.00 57.45 56.96 3dat n PHE 105 Cb 0.29 -0.01 0.20 0.00 -0.94 0.00 0.00 39.48 39.01 3dat n PHE 105 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3dat h LEU 106 N 2.95 0.99 -1.19 4.37 5.85 -1.49 0.24 115.31 127.03 3dat h LEU 106 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3dat h LEU 106 Cb 0.81 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3dat h LEU 106 CO 0.00 0.66 0.00 -0.65 -0.34 0.00 0.00 178.44 178.11 3dat h PRO 107 N 1.14 0.00 0.00 5.25 0.11 -1.84 -3.13 132.00 133.53 3dat h PRO 107 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3dat h PRO 107 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 3dat h PRO 107 CO -0.14 0.00 -0.69 0.66 -0.21 0.00 0.00 178.00 177.62 3dat n TYR 108 N -2.56 0.00 -1.72 0.65 4.01 0.02 -5.02 117.16 112.54 3dat n TYR 108 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 3dat n TYR 108 Cb 0.22 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 3dat n TYR 108 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3dat n VAL 109 N -1.36 0.55 -0.06 -0.72 0.31 -0.85 -4.54 118.33 111.67 3dat n VAL 109 Ca 0.02 -0.14 -0.06 0.00 -0.01 0.00 0.00 64.34 64.16 3dat n VAL 109 Cb 0.22 -1.89 -0.09 0.00 -0.91 0.00 0.00 33.84 31.17 3dat n VAL 109 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3dat n ASP 110 N 2.93 2.30 -3.89 4.52 8.00 0.60 -4.96 116.55 126.05 3dat n ASP 110 Ca 0.12 -0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.53 3dat n ASP 110 Cb 0.35 0.74 -0.04 0.00 -0.02 0.00 0.00 41.12 42.14 3dat n ASP 110 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3dat s LYS 111 N -2.27 1.57 -0.07 -1.24 -2.85 -0.92 -3.14 119.74 110.83 3dat s LYS 111 Ca -0.06 -1.07 0.01 0.00 -1.00 0.00 0.00 55.97 53.85 3dat s LYS 111 Cb 0.03 0.52 0.02 0.00 -2.06 0.00 0.00 37.83 36.35 3dat s LYS 111 CO 0.45 -0.68 -0.08 -0.51 0.10 0.00 0.00 175.35 174.63 3dat s LEU 112 N -2.95 1.37 -0.34 2.77 1.43 -0.55 -1.42 118.68 119.00 3dat s LEU 112 Ca 0.15 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3dat s LEU 112 Cb -0.02 -0.67 0.09 0.00 0.03 0.00 0.00 46.19 45.62 3dat s LEU 112 CO 0.05 -0.04 0.05 -0.31 0.23 0.00 0.00 176.35 176.33 3dat s TYR 113 N 1.04 3.58 -0.12 0.29 1.51 0.33 -1.82 117.35 122.16 3dat s TYR 113 Ca -0.08 -2.60 0.02 0.00 -1.01 0.00 0.00 57.07 53.39 3dat s TYR 113 Cb -0.14 -2.72 0.01 0.00 -0.11 0.00 0.00 41.96 38.99 3dat s TYR 113 CO -0.00 -0.92 -0.18 0.42 -1.11 0.00 0.00 175.55 173.75 3dat s ILE 114 N 1.04 1.70 -0.15 2.71 1.01 -0.71 -0.54 121.20 126.26 3dat s ILE 114 Ca 0.05 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 3dat s ILE 114 Cb -0.20 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 3dat s ILE 114 CO -0.06 0.48 0.28 -0.89 0.00 0.00 0.00 174.94 174.75 3dat s THR 115 N 0.89 5.31 -0.22 2.92 2.01 -0.64 0.04 115.64 125.95 3dat s THR 115 Ca -0.07 0.52 -0.03 0.00 0.31 0.00 0.00 61.69 62.42 3dat s THR 115 Cb -0.15 -3.61 -0.00 0.00 0.01 0.00 0.00 72.50 68.74 3dat s THR 115 CO -0.01 0.42 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.73 3dat s LYS 116 N 0.27 3.30 -0.14 4.92 1.02 0.52 -0.73 119.74 128.90 3dat s LYS 116 Ca 0.16 -0.67 -0.20 0.00 0.02 0.00 0.00 55.97 55.28 3dat s LYS 116 Cb -0.13 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 3dat s LYS 116 CO 0.04 -0.21 0.59 0.42 -0.92 0.00 0.00 175.35 175.27 3dat s ILE 117 N 1.45 5.09 -1.15 2.17 -1.09 0.16 -1.63 121.20 126.19 3dat s ILE 117 Ca 0.05 1.17 -0.13 0.00 -2.23 0.00 0.00 60.65 59.51 3dat s ILE 117 Cb -0.14 -3.92 0.20 0.00 -1.58 0.00 0.00 42.46 37.01 3dat s ILE 117 CO -0.05 0.22 1.31 -1.00 -1.23 0.00 0.00 174.94 174.20 3dat s HIS 118 N 1.16 3.67 -0.18 3.97 3.76 -0.62 -1.15 115.29 125.90 3dat s HIS 118 Ca 0.30 -2.21 -0.31 0.00 -0.15 0.00 0.00 55.06 52.69 3dat s HIS 118 Cb -0.16 -4.18 0.14 0.00 1.11 0.00 0.00 32.58 29.49 3dat s HIS 118 CO 0.12 -1.28 1.12 -1.58 -0.85 0.00 0.00 174.74 172.27 3dat s HIS 119 N 0.93 -0.24 -0.36 1.40 5.04 -1.26 -4.59 115.29 116.20 3dat s HIS 119 Ca 0.38 0.35 -0.13 0.00 -1.54 0.00 0.00 55.06 54.13 3dat s HIS 119 Cb -0.05 0.48 -0.00 0.00 0.04 0.00 0.00 32.58 33.05 3dat s HIS 119 CO -0.03 -0.26 0.25 0.00 -2.34 0.00 0.00 174.74 172.36 3dat s ALA 120 N -1.48 3.46 -0.08 1.58 0.00 -1.26 -3.34 121.76 120.64 3dat s ALA 120 Ca 0.03 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.43 3dat s ALA 120 Cb -0.01 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 3dat s ALA 120 CO -0.03 -1.15 0.14 -0.06 0.00 0.00 0.00 175.76 174.67 3dat s PHE 121 N 1.69 3.55 -1.32 0.00 0.40 -1.26 -5.04 117.98 116.00 3dat s PHE 121 Ca 0.05 0.44 -0.10 0.00 -0.60 0.00 0.00 56.93 56.73 3dat s PHE 121 Cb -0.18 -1.89 0.14 0.00 0.51 0.00 0.00 43.02 41.60 3dat s PHE 121 CO 0.10 0.69 1.97 0.39 0.70 0.00 0.00 175.22 179.07 3dat n GLU 122 N 1.62 3.54 -0.96 0.44 1.02 -1.26 -4.95 120.64 120.09 3dat n GLU 122 Ca -0.17 -3.35 -0.05 0.00 -0.02 0.00 0.00 57.16 53.58 3dat n GLU 122 Cb 0.54 -2.97 0.03 0.00 -0.02 0.00 0.00 31.44 29.01 3dat n GLU 122 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dat n GLY 123 N 2.97 0.58 0.00 0.62 0.00 -1.26 -4.96 105.19 103.14 3dat n GLY 123 Ca 0.43 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3dat n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dat n ASP 124 N -3.00 0.01 -4.52 1.61 5.75 0.34 -4.94 116.55 111.81 3dat n ASP 124 Ca 0.03 -0.01 -0.34 0.00 -0.01 0.00 0.00 54.79 54.47 3dat n ASP 124 Cb 0.12 0.02 -0.12 0.00 -1.03 0.00 0.00 41.12 40.11 3dat n ASP 124 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3dat s THR 125 N -0.03 3.70 0.13 2.12 -4.23 -0.56 -5.02 115.64 111.75 3dat s THR 125 Ca 0.00 -0.45 0.10 0.00 -1.18 0.00 0.00 61.69 60.16 3dat s THR 125 Cb 0.00 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 3dat s THR 125 CO 0.00 0.55 -0.24 -0.36 -0.54 0.00 0.00 174.62 174.03 3dat s PHE 126 N -0.17 2.38 -0.07 3.99 0.40 -1.26 -0.65 117.98 122.60 3dat s PHE 126 Ca 0.02 -0.34 -0.30 0.00 -0.60 0.00 0.00 56.93 55.71 3dat s PHE 126 Cb -0.13 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 3dat s PHE 126 CO 0.03 0.36 1.17 0.12 0.70 0.00 0.00 175.22 177.60 3dat s PHE 127 N -1.11 3.23 0.53 0.36 5.36 -0.13 -4.73 117.98 121.49 3dat s PHE 127 Ca 0.16 1.27 -0.22 0.00 -0.96 0.00 0.00 56.93 57.18 3dat s PHE 127 Cb -0.10 -3.39 -0.06 0.00 -0.34 0.00 0.00 43.02 39.13 3dat s PHE 127 CO 0.07 -1.15 1.16 -0.35 -1.46 0.00 0.00 175.22 173.50 3dat n PRO 128 N 5.23 1.40 -1.74 10.12 -0.04 -1.26 -4.96 135.00 143.75 3dat n PRO 128 Ca 0.11 0.52 -0.39 0.00 -0.04 0.00 0.00 63.50 63.70 3dat n PRO 128 Cb 0.47 -2.32 0.04 0.00 -0.04 0.00 0.00 33.50 31.64 3dat n PRO 128 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dat n GLU 129 N -0.68 1.71 -4.24 0.54 -0.58 -1.26 -5.04 120.64 111.09 3dat n GLU 129 Ca 0.11 0.63 -0.16 0.00 -0.42 0.00 0.00 57.16 57.32 3dat n GLU 129 Cb 0.44 -2.57 -0.11 0.00 -0.57 0.00 0.00 31.44 28.63 3dat n GLU 129 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3dat s MET 130 N -2.86 1.04 -0.05 3.49 -1.94 -1.26 -5.06 119.30 112.66 3dat s MET 130 Ca 0.71 -1.34 -0.02 0.00 -1.71 0.00 0.00 55.69 53.33 3dat s MET 130 Cb -0.42 -0.76 -0.01 0.00 2.01 0.00 0.00 34.83 35.65 3dat s MET 130 CO 0.50 0.12 0.15 -0.25 -0.01 0.00 0.00 175.02 175.52 3dat n ASP 131 N 0.17 0.03 -4.54 3.03 8.00 -1.26 -4.89 116.55 117.09 3dat n ASP 131 Ca -0.13 0.02 -0.38 0.00 0.71 0.00 0.00 54.79 55.02 3dat n ASP 131 Cb 0.59 -0.05 0.05 0.00 -0.02 0.00 0.00 41.12 41.68 3dat n ASP 131 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3dat n MET 132 N 0.48 0.68 0.00 -1.24 2.81 -1.26 -4.58 117.12 114.01 3dat n MET 132 Ca 0.04 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.19 3dat n MET 132 Cb -0.00 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 30.56 3dat n MET 132 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3dat n THR 133 N -1.79 0.00 0.00 2.03 -1.04 -1.26 -4.82 114.28 107.40 3dat n THR 133 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 3dat n THR 133 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 3dat n THR 133 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3dat n ASN 134 N 0.49 0.00 -4.26 8.00 4.13 -1.26 -4.80 115.26 117.55 3dat n ASN 134 Ca 0.00 0.00 -0.60 0.00 1.68 0.00 0.00 54.58 55.66 3dat n ASN 134 Cb 0.00 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.12 3dat n ASN 134 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 3dat n TRP 135 N 0.00 1.23 -3.06 3.10 7.02 -1.26 -4.88 117.44 119.58 3dat n TRP 135 Ca 0.00 0.81 -0.39 0.00 -1.02 0.00 0.00 57.50 56.90 3dat n TRP 135 Cb 0.00 -2.25 -0.06 0.00 -2.42 0.00 0.00 31.31 26.58 3dat n TRP 135 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3dat s LYS 136 N 5.51 4.45 0.53 -0.99 3.01 -0.04 -4.84 119.74 127.37 3dat s LYS 136 Ca 1.16 1.00 -0.18 0.00 -1.01 0.00 0.00 55.97 56.94 3dat s LYS 136 Cb -1.48 -3.31 -0.06 0.00 -1.01 0.00 0.00 37.83 31.97 3dat s LYS 136 CO 0.67 0.44 1.04 -2.00 0.51 0.00 0.00 175.35 176.01 3dat s GLU 137 N -0.56 3.60 0.00 1.68 2.12 -1.26 -1.28 118.70 123.00 3dat s GLU 137 Ca 0.35 1.28 0.00 0.00 0.36 0.00 0.00 54.97 56.96 3dat s GLU 137 Cb -0.21 -2.07 0.00 0.00 0.26 0.00 0.00 34.13 32.11 3dat s GLU 137 CO 0.23 -0.59 0.00 1.55 -0.54 0.00 0.00 175.26 175.91 3dat n VAL 138 N -1.45 0.00 -3.65 3.70 3.14 -0.01 -4.87 118.33 115.18 3dat n VAL 138 Ca 0.09 -0.10 -0.07 0.00 -2.96 0.00 0.00 64.34 61.30 3dat n VAL 138 Cb 0.53 0.89 -0.07 0.00 -1.06 0.00 0.00 33.84 34.13 3dat n VAL 138 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 3dat s PHE 139 N -0.26 -1.02 0.02 1.45 5.36 -1.08 -4.97 117.98 117.48 3dat s PHE 139 Ca 0.00 2.01 0.03 0.00 -0.96 0.00 0.00 56.93 58.01 3dat s PHE 139 Cb 0.00 0.59 -0.02 0.00 -0.34 0.00 0.00 43.02 43.26 3dat s PHE 139 CO 0.00 -0.51 -0.10 0.08 -1.46 0.00 0.00 175.22 173.22 3dat s VAL 140 N 1.76 0.78 -0.19 3.12 1.01 -1.26 -1.75 120.40 123.87 3dat s VAL 140 Ca -0.09 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 60.86 3dat s VAL 140 Cb -0.06 -0.72 0.12 0.00 0.00 0.00 0.00 36.38 35.72 3dat s VAL 140 CO -0.19 -0.01 0.98 -0.70 0.00 0.00 0.00 175.10 175.18 3dat s GLU 141 N -0.85 0.60 -0.20 2.72 2.56 -0.86 -5.02 118.70 117.65 3dat s GLU 141 Ca -0.00 0.31 -0.09 0.00 0.00 0.00 0.00 54.97 55.19 3dat s GLU 141 Cb -0.06 0.29 -0.05 0.00 2.00 0.00 0.00 34.13 36.31 3dat s GLU 141 CO 0.00 -0.15 0.10 -1.59 -0.56 0.00 0.00 175.26 173.06 3dat s LYS 142 N -0.66 4.07 0.00 4.30 -2.85 -1.26 -0.20 119.74 123.14 3dat s LYS 142 Ca -0.01 -0.29 0.00 0.00 -1.00 0.00 0.00 55.97 54.68 3dat s LYS 142 Cb -0.02 -3.33 0.00 0.00 -2.06 0.00 0.00 37.83 32.42 3dat s LYS 142 CO -0.00 0.26 0.00 0.41 0.10 0.00 0.00 175.35 176.12 3dat n GLY 143 N 3.60 -0.61 3.08 0.59 0.00 0.16 -4.93 105.19 107.08 3dat n GLY 143 Ca -0.16 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 3dat n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dat s LEU 144 N 0.00 3.10 -0.12 0.99 1.43 -1.26 -4.76 118.68 118.06 3dat s LEU 144 Ca 0.00 -1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 51.82 3dat s LEU 144 Cb 0.00 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 3dat s LEU 144 CO 0.00 -0.15 0.13 -0.89 0.23 0.00 0.00 176.35 175.67 3dat s THR 145 N 1.15 5.39 0.03 5.49 2.01 -1.26 -4.72 115.64 123.73 3dat s THR 145 Ca -0.06 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 3dat s THR 145 Cb -0.18 -3.34 0.10 0.00 0.01 0.00 0.00 72.50 69.09 3dat s THR 145 CO -0.07 0.61 1.20 1.51 -0.69 0.00 0.00 174.62 177.18 3dat s ASP 146 N -0.95 -0.08 -0.06 3.53 1.47 -1.15 -4.96 116.67 114.47 3dat s ASP 146 Ca 0.14 -0.22 -0.32 0.00 1.18 0.00 0.00 52.55 53.33 3dat s ASP 146 Cb -0.12 0.25 -0.10 0.00 -0.34 0.00 0.00 42.92 42.61 3dat s ASP 146 CO 0.04 -0.47 1.98 -1.84 0.68 0.00 0.00 175.17 175.56 3dat n GLU 147 N -0.52 2.40 0.00 2.11 -0.00 -1.26 -0.57 120.64 122.80 3dat n GLU 147 Ca -0.07 0.85 0.00 0.00 -0.00 0.00 0.00 57.16 57.94 3dat n GLU 147 Cb 0.62 -2.86 0.00 0.00 -0.00 0.00 0.00 31.44 29.20 3dat n GLU 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 3dat n LYS 148 N 7.34 0.00 -2.58 3.44 0.00 -1.26 -4.87 118.16 120.23 3dat n LYS 148 Ca 0.23 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.36 3dat n LYS 148 Cb 0.36 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.40 3dat n LYS 148 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3dat n ASN 149 N 0.18 3.12 -1.57 -5.58 3.02 0.27 -4.14 115.26 110.55 3dat n ASN 149 Ca 0.00 -3.23 -0.05 0.00 -0.03 0.00 0.00 54.58 51.27 3dat n ASN 149 Cb 0.00 -0.50 0.01 0.00 -0.61 0.00 0.00 39.78 38.69 3dat n ASN 149 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3dat n PRO 150 N -0.27 1.23 -4.16 3.52 -0.04 -0.33 -2.94 135.00 132.01 3dat n PRO 150 Ca 0.25 -0.46 -0.18 0.00 -0.04 0.00 0.00 63.50 63.07 3dat n PRO 150 Cb 0.73 -1.18 -0.12 0.00 -0.04 0.00 0.00 33.50 32.89 3dat n PRO 150 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3dat s TYR 151 N -0.53 1.14 -0.24 0.54 2.02 -1.26 -4.94 117.35 114.07 3dat s TYR 151 Ca 0.09 -0.46 -0.22 0.00 -0.37 0.00 0.00 57.07 56.11 3dat s TYR 151 Cb 0.07 -0.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.97 3dat s TYR 151 CO 0.00 0.04 0.71 -0.08 -1.57 0.00 0.00 175.55 174.64 3dat s THR 152 N -1.26 4.93 0.01 -0.71 -1.32 -1.26 -4.56 115.64 111.46 3dat s THR 152 Ca -0.03 1.31 -0.01 0.00 -1.21 0.00 0.00 61.69 61.75 3dat s THR 152 Cb -0.10 -4.01 -0.01 0.00 -1.51 0.00 0.00 72.50 66.87 3dat s THR 152 CO 0.02 -0.00 -0.01 -0.72 -2.21 0.00 0.00 174.62 171.70 3dat s TYR 153 N 2.58 0.15 -0.05 9.09 -0.85 -1.26 -1.59 117.35 125.43 3dat s TYR 153 Ca 0.30 -0.31 0.03 0.00 -0.52 0.00 0.00 57.07 56.57 3dat s TYR 153 Cb -0.15 -0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.07 3dat s TYR 153 CO 0.08 -0.13 -0.14 0.71 -1.52 0.00 0.00 175.55 174.54 3dat s TYR 154 N -0.96 1.52 0.09 -3.49 2.02 -0.65 0.35 117.35 116.23 3dat s TYR 154 Ca -0.10 -0.46 -0.29 0.00 -0.37 0.00 0.00 57.07 55.84 3dat s TYR 154 Cb -0.06 -1.05 -0.05 0.00 -0.40 0.00 0.00 41.96 40.39 3dat s TYR 154 CO -0.01 -0.19 0.92 0.71 -1.57 0.00 0.00 175.55 175.42 3dat s TYR 155 N 0.23 3.78 0.06 2.71 4.12 0.71 -0.36 117.35 128.61 3dat s TYR 155 Ca -0.07 1.72 0.05 0.00 0.02 0.00 0.00 57.07 58.79 3dat s TYR 155 Cb -0.12 -3.01 -0.03 0.00 -1.52 0.00 0.00 41.96 37.28 3dat s TYR 155 CO 0.02 0.20 -0.13 -1.01 0.02 0.00 0.00 175.55 174.65 3dat s HIS 156 N 0.08 1.13 -0.05 2.71 3.76 0.11 -2.03 115.29 120.98 3dat s HIS 156 Ca 0.46 -0.45 -0.02 0.00 -0.15 0.00 0.00 55.06 54.89 3dat s HIS 156 Cb -0.23 -0.64 0.04 0.00 1.11 0.00 0.00 32.58 32.86 3dat s HIS 156 CO 0.28 0.03 0.10 0.08 -0.85 0.00 0.00 174.74 174.38 3dat s VAL 157 N -1.23 -0.14 0.29 -0.90 1.01 -0.72 -1.74 120.40 116.97 3dat s VAL 157 Ca -0.03 0.35 0.10 0.00 0.00 0.00 0.00 61.98 62.40 3dat s VAL 157 Cb -0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 3dat s VAL 157 CO 0.02 0.14 -0.04 -0.31 0.00 0.00 0.00 175.10 174.92 3dat s TYR 158 N 1.93 2.58 -0.03 5.22 2.02 -0.75 -0.83 117.35 127.48 3dat s TYR 158 Ca 0.01 -0.29 -0.05 0.00 -0.37 0.00 0.00 57.07 56.36 3dat s TYR 158 Cb -0.12 -1.22 0.01 0.00 -0.40 0.00 0.00 41.96 40.22 3dat s TYR 158 CO -0.04 0.60 0.13 -1.21 -1.57 0.00 0.00 175.55 173.46 3dat s GLU 159 N -3.65 0.26 0.31 -0.62 2.02 -0.40 -1.48 118.70 115.13 3dat s GLU 159 Ca 0.32 -0.02 0.06 0.00 0.02 0.00 0.00 54.97 55.35 3dat s GLU 159 Cb -0.05 0.11 -0.02 0.00 0.10 0.00 0.00 34.13 34.28 3dat s GLU 159 CO 0.19 -0.05 0.42 -1.59 0.02 0.00 0.00 175.26 174.25 3dat s LYS 160 N -0.42 3.15 0.00 1.61 -2.85 -1.19 -0.86 119.74 119.18 3dat s LYS 160 Ca -0.05 -0.98 0.16 0.00 -1.00 0.00 0.00 55.97 54.10 3dat s LYS 160 Cb -0.03 -2.79 0.13 0.00 -2.06 0.00 0.00 37.83 33.07 3dat s LYS 160 CO 0.00 0.17 1.02 1.04 0.10 0.00 0.00 175.35 177.68