#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nul h TRP 3 N 0.00 1.19 -0.57 7.33 4.06 -2.00 -1.32 115.95 124.65 3nul h TRP 3 Ca 0.00 -0.07 -0.07 0.00 2.06 0.00 0.00 58.89 60.81 3nul h TRP 3 Cb 0.00 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 27.77 3nul h TRP 3 CO 0.00 0.87 0.06 0.37 -3.56 0.00 0.00 178.44 176.18 3nul h GLN 4 N 1.17 0.93 -0.49 0.49 5.75 -1.95 -2.60 115.11 118.41 3nul h GLN 4 Ca 0.28 -0.24 -0.11 0.00 -0.15 0.00 0.00 58.65 58.43 3nul h GLN 4 Cb 0.15 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3nul h GLN 4 CO -0.03 0.88 -0.12 1.03 -2.65 0.00 0.00 178.83 177.94 3nul h SER 5 N 0.87 0.91 -0.82 -0.69 0.87 -1.85 0.24 113.55 113.09 3nul h SER 5 Ca 0.17 -0.29 0.04 0.00 -1.23 0.00 0.00 61.79 60.48 3nul h SER 5 Cb 0.43 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 3nul h SER 5 CO 0.01 1.04 0.54 1.88 -0.53 0.00 0.00 176.83 179.77 3nul h TYR 6 N 0.82 0.97 0.13 2.24 0.05 -0.90 0.22 116.97 120.50 3nul h TYR 6 Ca 0.13 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 3nul h TYR 6 Cb 0.65 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.07 3nul h TYR 6 CO 0.04 0.56 -0.06 0.28 -1.05 0.00 0.00 178.16 177.92 3nul h VAL 7 N 1.00 0.91 -0.23 -2.88 2.07 -1.11 -1.58 116.25 114.44 3nul h VAL 7 Ca 0.33 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 3nul h VAL 7 Cb 0.07 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3nul h VAL 7 CO -0.10 0.25 0.08 0.44 0.02 0.00 0.00 177.57 178.25 3nul h ASP 8 N -0.87 0.33 0.24 0.57 3.32 -0.80 -2.74 116.42 116.48 3nul h ASP 8 Ca -0.02 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3nul h ASP 8 Cb 0.54 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3nul h ASP 8 CO 0.03 0.44 -1.30 -0.67 -1.72 0.00 0.00 179.24 176.01 3nul n ASP 9 N -4.78 0.53 -0.06 6.45 2.03 0.76 -3.94 116.55 117.55 3nul n ASP 9 Ca -0.03 -0.29 -0.12 0.00 0.52 0.00 0.00 54.79 54.86 3nul n ASP 9 Cb 0.15 1.17 -0.04 0.00 -0.72 0.00 0.00 41.12 41.68 3nul n ASP 9 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3nul n HIS 10 N -1.99 0.00 0.92 -0.67 8.25 -0.78 -4.57 115.22 116.38 3nul n HIS 10 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3nul n HIS 10 Cb 0.46 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3nul n HIS 10 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3nul n LEU 11 N -3.81 2.10 0.00 2.41 4.77 -0.67 -4.93 117.00 116.88 3nul n LEU 11 Ca -0.22 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 3nul n LEU 11 Cb 0.56 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3nul n LEU 11 CO 0.05 0.38 0.00 0.00 -1.33 0.00 0.00 177.39 176.49 3nul s ASP 14 N -2.70 7.59 -0.09 0.00 -1.08 -1.26 -4.61 116.67 114.52 3nul s ASP 14 Ca 0.00 1.93 -0.00 0.00 -0.52 0.00 0.00 52.55 53.95 3nul s ASP 14 Cb 0.00 -2.60 0.02 0.00 -1.46 0.00 0.00 42.92 38.88 3nul s ASP 14 CO 0.00 0.08 -0.05 -0.69 0.52 0.00 0.00 175.17 175.03 3nul s VAL 15 N -0.85 0.74 -1.42 1.11 1.01 0.22 -4.79 120.40 116.42 3nul s VAL 15 Ca 0.43 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 3nul s VAL 15 Cb -0.26 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.34 3nul s VAL 15 CO 0.32 0.31 0.32 -0.62 0.00 0.00 0.00 175.10 175.43 3nul n GLU 16 N 4.87 -3.32 -0.42 2.72 -0.58 -1.26 -1.06 120.64 121.59 3nul n GLU 16 Ca -0.12 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 3nul n GLU 16 Cb 0.50 -5.48 0.00 0.00 -0.57 0.00 0.00 31.44 25.89 3nul n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3nul n GLY 17 N -1.18 1.06 3.38 0.62 0.00 -1.26 -5.04 105.19 102.77 3nul n GLY 17 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 3nul n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nul s ASN 18 N -3.05 2.32 0.16 1.61 0.01 -0.23 -5.06 114.94 110.71 3nul s ASN 18 Ca 0.00 -1.20 -0.08 0.00 -0.71 0.00 0.00 52.86 50.87 3nul s ASN 18 Cb 0.00 -0.08 -0.01 0.00 0.41 0.00 0.00 41.25 41.56 3nul s ASN 18 CO 0.00 -0.42 0.26 -1.38 -1.51 0.00 0.00 177.10 174.05 3nul s HIS 19 N -3.21 0.47 0.47 2.20 -3.43 -1.26 0.71 115.29 111.25 3nul s HIS 19 Ca 0.29 -0.83 -0.23 0.00 -0.80 0.00 0.00 55.06 53.49 3nul s HIS 19 Cb 0.05 -0.11 -0.09 0.00 -1.43 0.00 0.00 32.58 31.00 3nul s HIS 19 CO 0.10 -0.71 1.04 1.28 -2.00 0.00 0.00 174.74 174.46 3nul n LEU 20 N -0.21 3.16 -0.05 5.38 4.77 -1.26 -4.83 117.00 123.97 3nul n LEU 20 Ca -0.07 0.98 -0.09 0.00 -0.03 0.00 0.00 56.01 56.81 3nul n LEU 20 Cb 0.63 -1.39 0.07 0.00 -2.33 0.00 0.00 43.42 40.40 3nul n LEU 20 CO 0.25 -1.45 0.60 0.74 -1.33 0.00 0.00 177.39 176.20 3nul h THR 21 N 1.33 1.29 -2.57 -5.08 2.02 -0.99 -3.46 112.91 105.45 3nul h THR 21 Ca -0.46 -1.53 -0.04 0.00 0.77 0.00 0.00 66.41 65.15 3nul h THR 21 Cb 1.34 1.45 -0.15 0.00 -1.74 0.00 0.00 68.15 69.05 3nul h THR 21 CO 0.56 0.49 0.19 0.00 0.37 0.00 0.00 175.52 177.13 3nul s ALA 22 N -4.34 -1.65 0.12 6.16 0.00 -1.15 -4.69 121.76 116.21 3nul s ALA 22 Ca -0.09 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 3nul s ALA 22 Cb 0.12 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.76 3nul s ALA 22 CO 0.84 -0.59 0.38 0.00 0.00 0.00 0.00 175.76 176.39 3nul s ALA 23 N -2.59 -0.84 -0.00 0.00 0.00 -1.26 -0.76 121.76 116.30 3nul s ALA 23 Ca -0.04 -0.12 -0.28 0.00 0.00 0.00 0.00 51.96 51.51 3nul s ALA 23 Cb -0.01 0.67 0.10 0.00 0.00 0.00 0.00 23.12 23.88 3nul s ALA 23 CO -0.03 -0.63 0.84 0.00 0.00 0.00 0.00 175.76 175.95 3nul s ALA 24 N -3.81 -1.80 -0.15 0.00 0.00 -0.72 -0.67 121.76 114.61 3nul s ALA 24 Ca 0.03 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.02 3nul s ALA 24 Cb 0.02 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.50 3nul s ALA 24 CO -0.12 -0.64 -0.12 0.42 0.00 0.00 0.00 175.76 175.30 3nul s ILE 25 N -2.86 1.50 0.13 0.00 1.01 0.11 -0.62 121.20 120.48 3nul s ILE 25 Ca 0.03 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.11 3nul s ILE 25 Cb -0.01 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3nul s ILE 25 CO -0.07 0.38 -0.16 -0.76 0.00 0.00 0.00 174.94 174.33 3nul s LEU 26 N 1.50 2.76 0.72 2.97 1.02 -0.19 -1.02 118.68 126.44 3nul s LEU 26 Ca 0.04 -0.57 -0.11 0.00 0.02 0.00 0.00 54.13 53.51 3nul s LEU 26 Cb -0.13 -1.56 0.03 0.00 0.02 0.00 0.00 46.19 44.54 3nul s LEU 26 CO -0.10 0.16 1.07 -0.83 0.02 0.00 0.00 176.35 176.67 3nul s GLY 27 N -2.32 1.67 0.00 -3.19 0.00 0.11 -0.34 107.32 103.25 3nul s GLY 27 Ca 0.20 0.14 0.09 0.00 0.00 0.00 0.00 44.72 45.15 3nul s GLY 27 CO 0.11 0.46 1.22 -1.06 0.00 0.00 0.00 173.10 173.83 3nul n GLN 28 N -3.27 0.07 0.00 2.90 6.02 -0.88 -0.65 117.38 121.57 3nul n GLN 28 Ca 0.08 0.27 0.14 0.00 -0.01 0.00 0.00 57.00 57.48 3nul n GLN 28 Cb 0.53 -1.50 0.57 0.00 1.02 0.00 0.00 30.24 30.87 3nul n GLN 28 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3nul n ASP 29 N -1.38 0.26 0.00 1.08 5.75 -1.26 -4.92 116.55 116.07 3nul n ASP 29 Ca 0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 3nul n ASP 29 Cb 0.09 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 3nul n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3nul n GLY 30 N 1.39 0.52 3.77 6.12 0.00 0.18 -5.07 105.19 112.09 3nul n GLY 30 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3nul n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nul s SER 31 N -2.18 6.39 -0.22 1.61 1.04 -1.26 -4.73 113.70 114.36 3nul s SER 31 Ca 0.00 2.23 -0.27 0.00 0.48 0.00 0.00 55.95 58.39 3nul s SER 31 Cb 0.00 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.52 3nul s SER 31 CO 0.00 -0.76 0.92 -0.69 0.98 0.00 0.00 173.24 173.69 3nul s VAL 32 N -1.57 4.78 -0.13 5.02 1.01 -1.26 -0.71 120.40 127.54 3nul s VAL 32 Ca 0.61 1.78 -0.14 0.00 0.00 0.00 0.00 61.98 64.23 3nul s VAL 32 Cb -0.27 -4.21 -0.25 0.00 0.00 0.00 0.00 36.38 31.66 3nul s VAL 32 CO 0.33 -0.09 0.43 -0.50 0.00 0.00 0.00 175.10 175.26 3nul h TRP 33 N 7.50 0.37 -2.06 5.22 4.06 -1.42 -3.48 115.95 126.14 3nul h TRP 33 Ca -0.23 -0.27 -0.06 0.00 2.06 0.00 0.00 58.89 60.39 3nul h TRP 33 Cb 1.09 -0.01 -0.20 0.00 -1.00 0.00 0.00 29.16 29.04 3nul h TRP 33 CO 0.74 1.62 0.15 0.00 -3.56 0.00 0.00 178.44 177.39 3nul s ALA 34 N -2.48 -1.71 0.14 1.49 0.00 -0.97 -4.73 121.76 113.51 3nul s ALA 34 Ca -0.22 1.43 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 3nul s ALA 34 Cb 0.05 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3nul s ALA 34 CO 0.73 -0.35 0.33 1.14 0.00 0.00 0.00 175.76 177.60 3nul s GLN 35 N -0.81 1.11 0.64 0.00 -2.07 -1.26 -0.71 119.66 116.55 3nul s GLN 35 Ca -0.08 -0.98 -0.04 0.00 -1.82 0.00 0.00 55.36 52.44 3nul s GLN 35 Cb -0.01 0.41 0.05 0.00 -1.09 0.00 0.00 33.01 32.37 3nul s GLN 35 CO 0.08 -0.42 0.92 -1.54 -1.32 0.00 0.00 175.29 173.01 3nul s SER 36 N -2.89 5.03 0.37 12.60 1.04 0.16 -4.98 113.70 125.03 3nul s SER 36 Ca 0.10 0.31 0.09 0.00 0.48 0.00 0.00 55.95 56.93 3nul s SER 36 Cb 0.03 -1.07 0.83 0.00 0.10 0.00 0.00 66.02 65.91 3nul s SER 36 CO -0.05 -1.40 1.89 0.00 0.98 0.00 0.00 173.24 174.66 3nul h ALA 37 N -0.33 1.85 -0.66 5.32 0.00 -1.93 -2.60 119.26 120.90 3nul h ALA 37 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3nul h ALA 37 Cb 1.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3nul h ALA 37 CO 0.58 -0.06 0.00 1.63 0.00 0.00 0.00 179.25 181.40 3nul n LYS 38 N -4.53 2.60 -1.89 0.00 5.02 -1.26 -4.98 118.16 113.11 3nul n LYS 38 Ca 0.16 -2.48 -0.42 0.00 -2.02 0.00 0.00 58.31 53.55 3nul n LYS 38 Cb 0.43 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 3nul n LYS 38 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3nul s PHE 39 N -1.12 3.00 0.62 2.13 5.36 -0.98 -4.88 117.98 122.10 3nul s PHE 39 Ca 0.46 0.56 -0.14 0.00 -0.96 0.00 0.00 56.93 56.84 3nul s PHE 39 Cb 0.24 -3.97 -0.03 0.00 -0.34 0.00 0.00 43.02 38.92 3nul s PHE 39 CO 0.32 -3.62 1.05 -1.25 -1.46 0.00 0.00 175.22 170.26 3nul s PRO 40 N 1.22 3.25 -0.04 10.12 0.04 -1.26 -5.01 135.00 143.33 3nul s PRO 40 Ca 0.71 1.12 -0.28 0.00 0.04 0.00 0.00 61.00 62.60 3nul s PRO 40 Cb -0.45 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 3nul s PRO 40 CO 0.31 -0.86 0.89 -0.65 0.04 0.00 0.00 177.00 176.74 3nul s GLN 41 N -4.34 4.50 0.11 4.56 -0.21 -1.26 -4.95 119.66 118.06 3nul s GLN 41 Ca 0.62 1.24 -0.02 0.00 0.02 0.00 0.00 55.36 57.21 3nul s GLN 41 Cb -0.15 -3.47 -0.05 0.00 1.00 0.00 0.00 33.01 30.34 3nul s GLN 41 CO 0.41 -0.06 0.30 -0.51 -2.12 0.00 0.00 175.29 173.31 3nul s LEU 42 N 1.11 4.31 0.30 2.90 1.43 -1.26 -3.99 118.68 123.49 3nul s LEU 42 Ca 0.47 0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 53.83 3nul s LEU 42 Cb -0.20 -3.12 -0.09 0.00 0.03 0.00 0.00 46.19 42.82 3nul s LEU 42 CO 0.23 0.10 0.71 -0.54 0.23 0.00 0.00 176.35 177.08 3nul s LYS 43 N -2.66 3.99 0.24 1.70 1.02 -1.26 -4.95 119.74 117.82 3nul s LYS 43 Ca 0.38 0.63 -0.05 0.00 0.02 0.00 0.00 55.97 56.95 3nul s LYS 43 Cb -0.12 -2.49 0.38 0.00 -0.52 0.00 0.00 37.83 35.08 3nul s LYS 43 CO 0.27 0.20 1.79 -1.35 -0.92 0.00 0.00 175.35 175.34 3nul h PRO 44 N 2.38 0.69 0.00 -1.68 0.11 -2.00 -0.53 132.00 130.97 3nul h PRO 44 Ca -0.48 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3nul h PRO 44 Cb 1.18 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3nul h PRO 44 CO 0.66 0.45 -0.08 -0.56 -0.21 0.00 0.00 178.00 178.26 3nul h GLN 45 N 0.71 0.00 -0.01 1.05 3.07 -1.98 -0.05 115.11 117.89 3nul h GLN 45 Ca 0.38 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.89 3nul h GLN 45 Cb 0.39 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.95 3nul h GLN 45 CO -0.26 0.08 -0.94 0.93 0.09 0.00 0.00 178.83 178.73 3nul h GLU 46 N 0.00 0.49 -0.46 0.06 5.08 -1.43 -0.30 114.58 118.02 3nul h GLU 46 Ca -0.00 -0.51 -0.13 0.00 -1.00 0.00 0.00 59.36 57.72 3nul h GLU 46 Cb 0.18 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3nul h GLU 46 CO 0.01 1.15 -0.23 0.82 -1.00 0.00 0.00 179.01 179.76 3nul h ILE 47 N 0.28 1.27 -0.54 3.13 1.08 -0.89 -0.88 117.51 120.96 3nul h ILE 47 Ca -0.08 -1.39 -0.01 0.00 -0.39 0.00 0.00 64.86 62.99 3nul h ILE 47 Cb 1.57 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 36.46 3nul h ILE 47 CO 0.17 0.47 0.31 0.44 -0.69 0.00 0.00 178.15 178.85 3nul h ASP 48 N 0.81 0.67 -0.78 1.72 3.32 -0.93 -1.38 116.42 119.85 3nul h ASP 48 Ca 0.10 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3nul h ASP 48 Cb 0.80 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 3nul h ASP 48 CO 0.07 0.55 0.39 1.23 -1.72 0.00 0.00 179.24 179.75 3nul h GLY 49 N 0.73 1.20 0.94 2.75 0.00 -0.70 -0.74 103.07 107.25 3nul h GLY 49 Ca 0.19 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3nul h GLY 49 CO -0.03 0.56 0.14 -2.22 0.00 0.00 0.00 176.54 174.98 3nul h ILE 50 N 1.10 1.13 -0.61 2.60 2.04 -0.88 -0.69 117.51 122.20 3nul h ILE 50 Ca 0.27 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 3nul h ILE 50 Cb 0.10 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3nul h ILE 50 CO -0.04 0.13 0.12 0.11 0.00 0.00 0.00 178.15 178.48 3nul h LYS 51 N 0.31 0.98 -0.43 2.37 1.57 -0.93 -1.50 116.57 118.94 3nul h LYS 51 Ca 0.09 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 3nul h LYS 51 Cb 0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3nul h LYS 51 CO -0.01 0.89 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.42 3nul h LYS 52 N 0.93 0.78 -0.18 3.15 3.64 -0.92 -1.82 116.57 122.15 3nul h LYS 52 Ca 0.19 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 3nul h LYS 52 Cb 0.37 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3nul h LYS 52 CO 0.01 0.86 -0.33 0.22 -2.27 0.00 0.00 179.45 177.93 3nul h ASP 53 N 0.70 0.37 0.16 4.20 3.58 -0.59 0.47 116.42 125.31 3nul h ASP 53 Ca 0.12 -0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.28 3nul h ASP 53 Cb 0.60 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 3nul h ASP 53 CO 0.04 0.69 -0.52 -0.26 -2.88 0.00 0.00 179.24 176.31 3nul h PHE 54 N 0.31 0.50 0.11 0.28 0.04 -0.98 -2.73 116.94 114.48 3nul h PHE 54 Ca 0.04 -0.17 -0.29 0.00 2.80 0.00 0.00 57.97 60.35 3nul h PHE 54 Cb 0.74 -0.10 0.03 0.00 2.20 0.00 0.00 35.95 38.82 3nul h PHE 54 CO 0.02 0.84 -1.23 1.49 -0.60 0.00 0.00 178.31 178.83 3nul h GLU 55 N 0.32 0.60 -2.94 1.51 4.81 -0.86 -3.25 114.58 114.77 3nul h GLU 55 Ca 0.01 -0.79 -0.61 0.00 -0.13 0.00 0.00 59.36 57.83 3nul h GLU 55 Cb 1.02 0.26 -0.41 0.00 0.63 0.00 0.00 28.75 30.26 3nul h GLU 55 CO 0.09 1.36 -0.70 -1.21 -0.73 0.00 0.00 179.01 177.81 3nul s GLU 56 N -2.98 1.80 0.19 1.92 2.02 0.16 -4.98 118.70 116.83 3nul s GLU 56 Ca -0.09 -2.69 -0.31 0.00 0.02 0.00 0.00 54.97 51.90 3nul s GLU 56 Cb 0.06 -2.73 -0.16 0.00 0.10 0.00 0.00 34.13 31.40 3nul s GLU 56 CO 0.93 -1.26 0.99 -2.30 0.02 0.00 0.00 175.26 173.64 3nul n PRO 57 N 2.65 0.87 -0.18 0.39 -0.02 -1.03 -2.06 135.00 135.62 3nul n PRO 57 Ca 0.18 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3nul n PRO 57 Cb 0.37 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3nul n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nul n GLY 58 N 1.78 0.93 0.22 -1.23 0.00 -1.26 -4.96 105.19 100.66 3nul n GLY 58 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 3nul n GLY 58 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3nul h PHE 59 N 0.00 -0.47 0.00 1.61 3.57 -1.70 -3.05 116.94 116.89 3nul h PHE 59 Ca 0.00 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 3nul h PHE 59 Cb 0.00 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3nul h PHE 59 CO 0.00 -0.26 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.47 3nul h LEU 60 N -0.31 0.00 -0.77 0.59 3.38 -1.88 -3.39 115.31 112.93 3nul h LEU 60 Ca 0.04 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.16 3nul h LEU 60 Cb 0.37 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.98 3nul h LEU 60 CO -0.15 0.28 -0.28 0.00 0.09 0.00 0.00 178.44 178.38 3nul h ALA 61 N 1.72 0.26 -0.91 1.53 0.00 -1.83 0.11 119.26 120.14 3nul h ALA 61 Ca -0.00 0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.27 3nul h ALA 61 Cb 1.16 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 19.62 3nul h ALA 61 CO 0.04 -0.54 0.55 -1.35 0.00 0.00 0.00 179.25 177.95 3nul h PRO 62 N -0.06 0.88 -0.00 0.00 0.11 -1.77 -3.31 132.00 127.85 3nul h PRO 62 Ca 0.33 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3nul h PRO 62 Cb 0.58 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3nul h PRO 62 CO -0.81 0.58 -0.24 0.25 -0.21 0.00 0.00 178.00 177.57 3nul n THR 63 N -4.67 0.00 0.00 -1.15 -2.24 -1.01 -5.11 114.28 100.10 3nul n THR 63 Ca 0.16 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3nul n THR 63 Cb 0.30 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3nul n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nul n GLY 64 N 1.01 2.98 3.55 3.38 0.00 0.35 -4.99 105.19 111.46 3nul n GLY 64 Ca 0.02 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 3nul n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3nul s LEU 65 N 0.00 4.42 -0.17 0.99 2.96 -0.22 -4.77 118.68 121.89 3nul s LEU 65 Ca 0.00 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.59 3nul s LEU 65 Cb 0.00 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 3nul s LEU 65 CO 0.00 -0.30 0.11 -0.36 -1.32 0.00 0.00 176.35 174.48 3nul s PHE 66 N 1.95 3.40 -0.10 5.38 0.40 -1.26 -0.21 117.98 127.54 3nul s PHE 66 Ca 0.11 0.30 -0.03 0.00 -0.60 0.00 0.00 56.93 56.71 3nul s PHE 66 Cb -0.17 -2.06 0.04 0.00 0.51 0.00 0.00 43.02 41.34 3nul s PHE 66 CO 0.11 0.37 0.06 -0.51 0.70 0.00 0.00 175.22 175.96 3nul s LEU 67 N -0.04 0.34 -1.51 -0.37 1.43 -0.26 -4.77 118.68 113.50 3nul s LEU 67 Ca 0.09 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3nul s LEU 67 Cb -0.12 -0.24 0.00 0.00 0.03 0.00 0.00 46.19 45.86 3nul s LEU 67 CO 0.00 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.91 3nul n GLY 68 N 5.26 0.25 2.41 -3.19 0.00 -1.26 -1.57 105.19 107.09 3nul n GLY 68 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3nul n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nul n GLY 69 N -1.00 1.10 3.74 -0.02 0.00 -1.26 -5.01 105.19 102.74 3nul n GLY 69 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 3nul n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nul s GLU 70 N -0.20 4.21 -0.10 1.61 0.41 -0.61 -5.06 118.70 118.96 3nul s GLU 70 Ca 0.00 0.17 -0.26 0.00 -0.41 0.00 0.00 54.97 54.47 3nul s GLU 70 Cb 0.00 -3.40 -0.03 0.00 -1.78 0.00 0.00 34.13 28.92 3nul s GLU 70 CO 0.00 0.29 0.82 0.21 -0.49 0.00 0.00 175.26 176.09 3nul s LYS 71 N 0.30 4.40 0.00 1.61 2.20 -1.26 -1.10 119.74 125.89 3nul s LYS 71 Ca 0.18 1.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 3nul s LYS 71 Cb -0.14 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 3nul s LYS 71 CO 0.06 -0.13 0.00 0.66 -0.36 0.00 0.00 175.35 175.57 3nul n TYR 72 N 4.45 0.00 -4.76 4.03 4.02 0.71 -4.79 117.16 120.81 3nul n TYR 72 Ca 0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.66 3nul n TYR 72 Cb 0.50 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.66 3nul n TYR 72 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3nul s VAL 74 N 4.08 1.34 0.43 -0.72 1.01 -1.26 -1.05 120.40 124.23 3nul s VAL 74 Ca 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3nul s VAL 74 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 3nul s VAL 74 CO 0.00 0.39 0.03 0.27 0.00 0.00 0.00 175.10 175.79 3nul s ILE 75 N 0.19 1.45 -0.00 2.22 -4.36 -0.20 -4.90 121.20 115.60 3nul s ILE 75 Ca -0.06 -2.00 -0.37 0.00 -0.26 0.00 0.00 60.65 57.96 3nul s ILE 75 Cb -0.12 -2.61 -0.16 0.00 1.25 0.00 0.00 42.46 40.82 3nul s ILE 75 CO 0.03 0.00 1.51 1.67 0.24 0.00 0.00 174.94 178.39 3nul n GLN 76 N -1.03 1.37 0.00 0.37 7.27 -1.26 -4.30 117.38 119.80 3nul n GLN 76 Ca -0.10 0.50 0.00 0.00 0.07 0.00 0.00 57.00 57.47 3nul n GLN 76 Cb 0.67 -2.18 0.00 0.00 2.41 0.00 0.00 30.24 31.13 3nul n GLN 76 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nul n GLY 77 N 3.19 6.66 2.92 1.69 0.00 -1.26 -4.62 105.19 113.77 3nul n GLY 77 Ca 0.20 -1.96 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 3nul n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nul s GLU 78 N 1.44 1.65 -0.34 1.61 2.02 -0.14 -4.97 118.70 119.97 3nul s GLU 78 Ca 0.00 -0.33 -0.42 0.00 0.02 0.00 0.00 54.97 54.24 3nul s GLU 78 Cb 0.00 -1.72 -0.17 0.00 0.10 0.00 0.00 34.13 32.34 3nul s GLU 78 CO 0.00 -0.28 1.68 1.04 0.02 0.00 0.00 175.26 177.72 3nul n GLN 79 N 4.91 0.77 -0.74 1.61 6.02 -1.26 -1.04 117.38 127.65 3nul n GLN 79 Ca -0.13 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 3nul n GLN 79 Cb 0.50 -1.90 0.00 0.00 1.02 0.00 0.00 30.24 29.85 3nul n GLN 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3nul n GLY 80 N 4.06 0.45 0.00 1.08 0.00 -1.23 -4.74 105.19 104.81 3nul n GLY 80 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3nul n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nul n ALA 81 N 1.00 1.96 -3.54 4.61 0.00 -0.21 -4.82 120.51 119.51 3nul n ALA 81 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3nul n ALA 81 Cb 0.01 0.32 -0.16 0.00 0.00 0.00 0.00 19.45 19.63 3nul n ALA 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3nul s VAL 82 N -1.70 -0.00 -0.08 0.00 1.01 -0.51 -0.81 120.40 118.31 3nul s VAL 82 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.14 3nul s VAL 82 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.26 3nul s VAL 82 CO 0.00 0.08 -0.14 -0.63 0.00 0.00 0.00 175.10 174.41 3nul s ILE 83 N 0.80 3.07 0.02 2.22 1.01 -0.12 -0.97 121.20 127.23 3nul s ILE 83 Ca -0.07 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.92 3nul s ILE 83 Cb -0.10 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 3nul s ILE 83 CO -0.02 0.57 -0.10 -0.13 0.00 0.00 0.00 174.94 175.26 3nul s ARG 84 N -0.34 0.69 0.16 2.79 0.52 -1.26 -0.90 118.95 120.61 3nul s ARG 84 Ca 0.03 -0.55 -0.08 0.00 -0.52 0.00 0.00 55.73 54.61 3nul s ARG 84 Cb -0.13 -0.62 -0.01 0.00 0.52 0.00 0.00 34.95 34.71 3nul s ARG 84 CO 0.02 0.16 0.26 0.20 0.02 0.00 0.00 175.30 175.96 3nul s GLY 85 N -0.83 0.52 0.07 -3.53 0.00 -0.79 -1.03 107.32 101.73 3nul s GLY 85 Ca -0.01 -0.93 0.06 0.00 0.00 0.00 0.00 44.72 43.84 3nul s GLY 85 CO 0.00 -0.88 -0.17 0.54 0.00 0.00 0.00 173.10 172.59 3nul s LYS 86 N -3.97 1.03 -0.29 2.90 -0.14 -1.26 -1.64 119.74 116.37 3nul s LYS 86 Ca 0.18 -0.96 0.01 0.00 -1.36 0.00 0.00 55.97 53.84 3nul s LYS 86 Cb 0.04 -1.13 0.15 0.00 -1.68 0.00 0.00 37.83 35.21 3nul s LYS 86 CO 0.00 0.27 0.36 0.21 -0.76 0.00 0.00 175.35 175.43 3nul s LYS 87 N -1.53 0.37 5.49 1.68 2.20 0.03 -4.47 119.74 123.51 3nul s LYS 87 Ca 0.03 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 3nul s LYS 87 Cb -0.09 -0.45 0.00 0.00 -1.51 0.00 0.00 37.83 35.77 3nul s LYS 87 CO 0.02 -1.00 0.00 0.41 -0.36 0.00 0.00 175.35 174.42 3nul n GLY 88 N 5.34 2.36 2.04 5.54 0.00 -1.26 -2.08 105.19 117.13 3nul n GLY 88 Ca -0.01 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 3nul n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nul n PRO 89 N 13.04 2.13 -1.06 1.61 -0.04 -1.26 -4.82 135.00 144.59 3nul n PRO 89 Ca 0.00 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 3nul n PRO 89 Cb 0.00 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 3nul n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nul n GLY 90 N -0.56 5.15 0.00 0.55 0.00 -0.88 -1.21 105.19 108.23 3nul n GLY 90 Ca 0.47 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3nul n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nul n GLY 91 N 2.14 1.08 3.45 -0.02 0.00 -0.64 -0.79 105.19 110.40 3nul n GLY 91 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 3nul n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nul s VAL 92 N -1.72 0.00 -0.03 1.61 0.11 -0.65 -1.51 120.40 118.21 3nul s VAL 92 Ca 0.00 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 3nul s VAL 92 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3nul s VAL 92 CO 0.00 -0.02 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.81 3nul s THR 93 N -2.78 0.49 -0.13 5.04 2.01 -0.40 -1.88 115.64 117.99 3nul s THR 93 Ca -0.04 -0.17 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 3nul s THR 93 Cb -0.01 -0.47 0.03 0.00 0.01 0.00 0.00 72.50 72.05 3nul s THR 93 CO -0.04 0.18 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.34 3nul s ILE 94 N 0.45 1.25 -0.15 1.82 1.01 -0.08 -1.49 121.20 124.01 3nul s ILE 94 Ca -0.06 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 3nul s ILE 94 Cb -0.09 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 3nul s ILE 94 CO -0.00 0.39 -0.10 -0.75 0.00 0.00 0.00 174.94 174.47 3nul s LYS 95 N 1.61 3.40 -0.05 2.79 2.47 0.16 -0.95 119.74 129.18 3nul s LYS 95 Ca 0.05 -0.66 -0.19 0.00 -1.56 0.00 0.00 55.97 53.61 3nul s LYS 95 Cb -0.13 -2.74 -0.05 0.00 -1.46 0.00 0.00 37.83 33.45 3nul s LYS 95 CO -0.09 0.12 0.52 0.21 0.16 0.00 0.00 175.35 176.27 3nul s LYS 96 N 0.62 4.27 0.01 4.03 2.20 0.01 -0.78 119.74 130.10 3nul s LYS 96 Ca -0.06 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 3nul s LYS 96 Cb -0.15 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 3nul s LYS 96 CO 0.03 0.32 0.00 0.25 -0.36 0.00 0.00 175.35 175.59 3nul n THR 97 N 3.01 0.00 -0.07 3.43 -2.24 -0.55 -4.94 114.28 112.92 3nul n THR 97 Ca -0.08 -0.06 -0.03 0.00 -2.27 0.00 0.00 64.05 61.61 3nul n THR 97 Cb 0.51 -0.22 0.21 0.00 -2.10 0.00 0.00 70.33 68.74 3nul n THR 97 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3nul h ASN 98 N 0.03 0.65 0.00 3.42 2.35 -1.89 -3.36 115.58 116.78 3nul h ASN 98 Ca -0.01 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3nul h ASN 98 Cb 0.03 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.23 3nul h ASN 98 CO 0.02 0.72 -0.02 0.00 -1.65 0.00 0.00 177.43 176.50 3nul n GLN 99 N -4.24 4.61 -4.49 0.81 6.02 -0.63 -5.04 117.38 114.41 3nul n GLN 99 Ca 0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.75 3nul n GLN 99 Cb 0.28 -0.35 -0.08 0.00 1.02 0.00 0.00 30.24 31.11 3nul n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3nul n ALA 100 N -0.68 0.61 -3.83 -1.58 0.00 -1.24 -2.08 120.51 111.71 3nul n ALA 100 Ca 0.00 -2.15 -0.25 0.00 0.00 0.00 0.00 53.44 51.03 3nul n ALA 100 Cb 0.00 1.47 -0.17 0.00 0.00 0.00 0.00 19.45 20.75 3nul n ALA 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3nul s LEU 101 N 0.00 1.05 -0.24 0.00 1.43 0.54 -1.49 118.68 119.97 3nul s LEU 101 Ca 0.23 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 3nul s LEU 101 Cb 0.01 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 3nul s LEU 101 CO 0.16 -0.13 0.14 -0.69 0.23 0.00 0.00 176.35 176.06 3nul s VAL 102 N 1.69 5.09 -0.01 -1.59 1.01 0.04 -1.02 120.40 125.61 3nul s VAL 102 Ca 0.03 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.14 3nul s VAL 102 Cb -0.13 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3nul s VAL 102 CO -0.06 0.34 -0.13 -0.36 0.00 0.00 0.00 175.10 174.89 3nul s PHE 103 N 1.17 2.71 -0.08 5.22 0.40 0.21 -0.66 117.98 126.95 3nul s PHE 103 Ca 0.06 -0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.21 3nul s PHE 103 Cb -0.14 -1.58 0.04 0.00 0.51 0.00 0.00 43.02 41.85 3nul s PHE 103 CO 0.05 0.25 0.15 0.20 0.70 0.00 0.00 175.22 176.57 3nul s GLY 104 N -1.08 0.03 -0.12 4.36 0.00 -0.56 -1.76 107.32 108.20 3nul s GLY 104 Ca 0.14 0.59 -0.02 0.00 0.00 0.00 0.00 44.72 45.42 3nul s GLY 104 CO 0.03 1.47 -0.04 -1.36 0.00 0.00 0.00 173.10 173.19 3nul s PHE 105 N 1.96 3.01 0.14 1.90 0.08 0.06 -1.28 117.98 123.85 3nul s PHE 105 Ca -0.01 -0.14 0.03 0.00 0.12 0.00 0.00 56.93 56.93 3nul s PHE 105 Cb -0.12 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 3nul s PHE 105 CO -0.06 0.15 -0.06 1.52 -0.10 0.00 0.00 175.22 176.67 3nul s TYR 106 N -0.18 1.15 0.05 0.36 1.13 -0.57 -0.29 117.35 119.00 3nul s TYR 106 Ca 0.03 -0.89 0.01 0.00 -1.41 0.00 0.00 57.07 54.82 3nul s TYR 106 Cb -0.13 -0.63 -0.03 0.00 -1.10 0.00 0.00 41.96 40.07 3nul s TYR 106 CO 0.02 -0.08 -0.06 -0.51 -2.51 0.00 0.00 175.55 172.42 3nul s ASP 107 N -3.14 0.76 0.63 -0.18 1.01 -1.26 -1.61 116.67 112.87 3nul s ASP 107 Ca 0.18 -0.72 -0.18 0.00 0.71 0.00 0.00 52.55 52.54 3nul s ASP 107 Cb 0.05 0.09 -0.04 0.00 1.01 0.00 0.00 42.92 44.02 3nul s ASP 107 CO 0.00 -0.34 0.90 -1.84 0.21 0.00 0.00 175.17 174.10 3nul n GLU 108 N 0.92 0.76 -2.51 8.23 0.28 -0.35 -4.71 120.64 123.25 3nul n GLU 108 Ca -0.19 0.30 -0.40 0.00 -0.16 0.00 0.00 57.16 56.71 3nul n GLU 108 Cb 0.57 -2.12 -0.03 0.00 1.43 0.00 0.00 31.44 31.29 3nul n GLU 108 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3nul s PRO 109 N -2.80 3.34 0.18 3.44 0.04 -1.26 -5.06 135.00 132.88 3nul s PRO 109 Ca 0.75 -0.65 -0.13 0.00 0.04 0.00 0.00 61.00 61.02 3nul s PRO 109 Cb -0.40 -4.81 0.01 0.00 0.04 0.00 0.00 34.50 29.33 3nul s PRO 109 CO 0.48 -2.25 0.40 0.95 0.04 0.00 0.00 177.00 176.61 3nul s THR 111 N 5.67 0.05 0.28 1.26 -4.23 -1.26 -5.06 115.64 112.34 3nul s THR 111 Ca 0.43 -1.12 -0.03 0.00 -1.18 0.00 0.00 61.69 59.79 3nul s THR 111 Cb -0.04 -1.73 0.26 0.00 1.34 0.00 0.00 72.50 72.33 3nul s THR 111 CO 0.02 -0.21 1.95 1.23 -0.54 0.00 0.00 174.62 177.07 3nul h GLY 112 N 2.38 1.27 1.15 3.99 0.00 -1.98 -1.00 103.07 108.89 3nul h GLY 112 Ca -0.30 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 3nul h GLY 112 CO 0.43 0.45 0.32 -1.33 0.00 0.00 0.00 176.54 176.42 3nul h GLY 113 N 1.21 1.17 1.27 4.60 0.00 -2.02 0.16 103.07 109.46 3nul h GLY 113 Ca 0.33 -0.60 -0.18 0.00 0.00 0.00 0.00 47.33 46.89 3nul h GLY 113 CO -0.08 0.57 -0.57 1.46 0.00 0.00 0.00 176.54 177.92 3nul h GLN 114 N 1.07 0.76 -0.31 4.80 4.20 -1.78 -1.44 115.11 122.42 3nul h GLN 114 Ca 0.25 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 3nul h GLN 114 Cb 0.16 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3nul h GLN 114 CO -0.03 1.12 0.04 0.00 -0.67 0.00 0.00 178.83 179.29 3nul h ASN 116 N 0.33 0.08 0.19 0.00 2.35 -0.57 -1.39 115.58 116.56 3nul h ASN 116 Ca 0.09 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3nul h ASN 116 Cb 0.36 0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 3nul h ASN 116 CO 0.01 0.07 -0.10 0.25 -1.65 0.00 0.00 177.43 176.00 3nul h LEU 117 N 0.29 -0.24 -0.49 1.61 5.85 -1.04 0.52 115.31 121.80 3nul h LEU 117 Ca 0.26 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 3nul h LEU 117 Cb 0.33 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3nul h LEU 117 CO -0.30 -0.17 0.14 -0.37 -0.34 0.00 0.00 178.44 177.39 3nul h VAL 118 N -0.27 1.23 -0.06 1.05 -1.51 -1.19 -0.02 116.25 115.49 3nul h VAL 118 Ca -0.02 -0.81 -0.04 0.00 -1.23 0.00 0.00 66.70 64.61 3nul h VAL 118 Cb 0.21 0.82 -0.00 0.00 -2.13 0.00 0.00 31.29 30.20 3nul h VAL 118 CO 0.03 0.29 -0.10 0.58 -1.23 0.00 0.00 177.57 177.14 3nul h VAL 119 N 0.67 1.41 -0.25 7.19 2.07 -1.25 -2.82 116.25 123.26 3nul h VAL 119 Ca 0.16 -1.37 -0.15 0.00 0.82 0.00 0.00 66.70 66.15 3nul h VAL 119 Cb 0.30 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3nul h VAL 119 CO -0.00 0.38 -0.47 -0.33 0.02 0.00 0.00 177.57 177.17 3nul h GLU 120 N -0.30 0.66 -0.48 1.57 5.08 -0.88 -1.54 114.58 118.68 3nul h GLU 120 Ca 0.00 -0.37 -0.08 0.00 -1.00 0.00 0.00 59.36 57.91 3nul h GLU 120 Cb 0.66 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3nul h GLU 120 CO 0.02 0.99 -0.01 0.07 -1.00 0.00 0.00 179.01 179.08 3nul h ARG 121 N 0.53 0.81 -0.29 2.33 0.11 -1.07 0.68 114.38 117.47 3nul h ARG 121 Ca 0.03 -0.22 -0.06 0.00 0.10 0.00 0.00 59.98 59.83 3nul h ARG 121 Cb 1.01 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.99 3nul h ARG 121 CO 0.10 0.82 -0.06 1.25 0.10 0.00 0.00 179.97 182.17 3nul h LEU 122 N 0.75 0.55 -0.86 0.08 5.85 -1.38 -1.63 115.31 118.67 3nul h LEU 122 Ca 0.14 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.56 3nul h LEU 122 Cb 0.47 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 3nul h LEU 122 CO 0.02 0.78 0.54 1.23 -0.34 0.00 0.00 178.44 180.67 3nul h GLY 123 N 0.31 1.28 1.21 3.75 0.00 -0.84 0.08 103.07 108.85 3nul h GLY 123 Ca 0.07 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 3nul h GLY 123 CO 0.03 0.29 0.01 -0.55 0.00 0.00 0.00 176.54 176.31 3nul h ASP 124 N 0.99 0.93 -0.44 0.19 3.32 -0.68 0.01 116.42 120.75 3nul h ASP 124 Ca 0.37 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3nul h ASP 124 Cb 0.13 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3nul h ASP 124 CO -0.16 0.98 0.06 0.22 -1.72 0.00 0.00 179.24 178.62 3nul h TYR 125 N 0.88 0.78 -0.50 4.55 3.20 -0.55 -1.16 116.97 124.18 3nul h TYR 125 Ca 0.16 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3nul h TYR 125 Cb 0.51 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3nul h TYR 125 CO 0.03 0.75 0.32 -0.07 -1.64 0.00 0.00 178.16 177.55 3nul h LEU 126 N 0.59 0.58 -0.38 2.82 3.38 -0.71 -0.29 115.31 121.30 3nul h LEU 126 Ca 0.13 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3nul h LEU 126 Cb 0.40 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3nul h LEU 126 CO 0.01 0.45 0.23 0.40 0.09 0.00 0.00 178.44 179.62 3nul h ILE 127 N 0.67 1.05 0.00 1.22 2.04 -0.82 0.32 117.51 122.00 3nul h ILE 127 Ca 0.18 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 3nul h ILE 127 Cb -0.05 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3nul h ILE 127 CO -0.04 0.09 -0.14 -0.33 0.00 0.00 0.00 178.15 177.73 3nul h GLU 128 N 0.47 0.00 -0.18 2.37 5.08 -0.82 -0.43 114.58 121.06 3nul h GLU 128 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3nul h GLU 128 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3nul h GLU 128 CO -0.06 0.14 0.00 0.43 -1.00 0.00 0.00 179.01 178.52 3nul n SER 129 N -3.61 1.36 -0.89 1.42 7.64 -0.15 -4.90 113.62 114.49 3nul n SER 129 Ca -0.01 -1.77 -0.10 0.00 1.01 0.00 0.00 58.87 57.99 3nul n SER 129 Cb 0.27 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 3nul n SER 129 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3nul n GLU 130 N 0.16 -0.72 0.00 1.43 1.02 -0.17 -5.03 120.64 117.32 3nul n GLU 130 Ca 0.13 0.71 0.05 0.00 -0.02 0.00 0.00 57.16 58.04 3nul n GLU 130 Cb 0.26 -4.68 0.04 0.00 -0.02 0.00 0.00 31.44 27.04 3nul n GLU 130 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59