#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bxx s MET 28 N 0.00 3.66 0.29 1.57 -2.45 -1.26 -5.09 119.30 116.03 2bxx s MET 28 Ca 0.00 -0.48 -0.29 0.00 -1.25 0.00 0.00 55.69 53.67 2bxx s MET 28 Cb 0.00 -3.26 -0.10 0.00 1.25 0.00 0.00 34.83 32.73 2bxx s MET 28 CO 0.00 -0.12 1.13 -1.12 1.05 0.00 0.00 175.02 175.96 2bxx s SER 29 N 1.40 7.18 0.01 1.11 0.01 -1.26 -5.05 113.70 117.10 2bxx s SER 29 Ca 0.05 2.32 -0.08 0.00 1.31 0.00 0.00 55.95 59.56 2bxx s SER 29 Cb -0.15 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.46 2bxx s SER 29 CO 0.03 -0.21 0.15 -0.94 0.41 0.00 0.00 173.24 172.68 2bxx s SER 30 N -0.84 0.02 0.00 2.44 1.04 -1.26 -5.05 113.70 110.04 2bxx s SER 30 Ca 0.45 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2bxx s SER 30 Cb -0.33 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2bxx s SER 30 CO 0.42 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.86 2bxx n GLY 31 N 1.34 1.48 2.81 7.32 0.00 -1.26 -5.00 105.19 111.88 2bxx n GLY 31 Ca -0.22 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 2bxx n GLY 31 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bxx n ASN 32 N 0.00 3.83 -4.79 1.61 4.13 -1.26 -4.58 115.26 114.19 2bxx n ASN 32 Ca 0.00 -2.75 -0.36 0.00 1.68 0.00 0.00 54.58 53.15 2bxx n ASN 32 Cb 0.00 -1.46 -0.06 0.00 -1.54 0.00 0.00 39.78 36.71 2bxx n ASN 32 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bxx s ALA 33 N 3.69 3.13 0.57 5.41 0.00 -1.24 -4.72 121.76 128.59 2bxx s ALA 33 Ca 0.51 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.80 2bxx s ALA 33 Cb 0.14 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2bxx s ALA 33 CO -0.02 0.07 1.22 0.45 0.00 0.00 0.00 175.76 177.48 2bxx s SER 34 N -1.78 5.33 0.48 0.00 0.15 -1.26 -1.12 113.70 115.50 2bxx s SER 34 Ca 0.56 2.43 0.26 0.00 0.70 0.00 0.00 55.95 59.89 2bxx s SER 34 Cb -0.16 -2.60 1.17 0.00 -1.71 0.00 0.00 66.02 62.71 2bxx s SER 34 CO 0.21 -1.50 1.94 -0.50 1.20 0.00 0.00 173.24 174.59 2bxx h TRP 35 N 1.11 0.00 -2.12 3.44 4.06 -1.92 -3.41 115.95 117.11 2bxx h TRP 35 Ca -0.50 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 59.90 2bxx h TRP 35 Cb 1.29 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.37 2bxx h TRP 35 CO 0.47 0.18 -0.61 -0.06 -3.56 0.00 0.00 178.44 174.86 2bxx s PHE 36 N -3.88 2.74 0.86 0.49 0.40 -1.26 0.40 117.98 117.72 2bxx s PHE 36 Ca -0.01 -0.26 -0.10 0.00 -0.60 0.00 0.00 56.93 55.96 2bxx s PHE 36 Cb 0.11 -1.33 0.11 0.00 0.51 0.00 0.00 43.02 42.42 2bxx s PHE 36 CO 0.61 0.54 1.13 1.14 0.70 0.00 0.00 175.22 179.33 2bxx s GLN 37 N -3.73 1.51 0.58 0.44 -2.07 -0.82 -4.77 119.66 110.79 2bxx s GLN 37 Ca 0.33 1.41 -0.15 0.00 -1.82 0.00 0.00 55.36 55.13 2bxx s GLN 37 Cb -0.05 -1.79 -0.05 0.00 -1.09 0.00 0.00 33.01 30.02 2bxx s GLN 37 CO 0.21 -2.24 1.03 0.00 -1.32 0.00 0.00 175.29 172.97 2bxx s ALA 38 N -2.74 2.88 0.05 2.60 0.00 -1.26 -4.76 121.76 118.53 2bxx s ALA 38 Ca 0.65 0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.85 2bxx s ALA 38 Cb -0.21 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2bxx s ALA 38 CO 0.57 -0.63 0.21 0.96 0.00 0.00 0.00 175.76 176.86 2bxx s ILE 39 N -2.63 5.39 -0.05 0.00 -4.36 -0.76 -4.65 121.20 114.15 2bxx s ILE 39 Ca 0.61 -0.36 0.02 0.00 -0.26 0.00 0.00 60.65 60.66 2bxx s ILE 39 Cb -0.13 -3.62 0.01 0.00 1.25 0.00 0.00 42.46 39.97 2bxx s ILE 39 CO 0.38 0.16 -0.11 -0.54 0.24 0.00 0.00 174.94 175.07 2bxx s LYS 40 N -2.45 1.47 0.46 0.37 1.02 0.89 -0.79 119.74 120.71 2bxx s LYS 40 Ca 0.34 -0.38 -0.25 0.00 0.02 0.00 0.00 55.97 55.71 2bxx s LYS 40 Cb -0.13 -1.26 -0.08 0.00 -0.52 0.00 0.00 37.83 35.84 2bxx s LYS 40 CO 0.27 0.05 1.43 0.00 -0.92 0.00 0.00 175.35 176.19 2bxx s ALA 41 N 0.54 3.21 0.09 5.17 0.00 0.28 -0.93 121.76 130.12 2bxx s ALA 41 Ca -0.11 1.48 0.14 0.00 0.00 0.00 0.00 51.96 53.46 2bxx s ALA 41 Cb -0.14 -3.60 0.26 0.00 0.00 0.00 0.00 23.12 19.64 2bxx s ALA 41 CO 0.03 -1.24 1.53 0.87 0.00 0.00 0.00 175.76 176.95 2bxx h LYS 42 N 2.22 0.00 -4.04 0.00 1.57 -1.52 -3.43 116.57 111.37 2bxx h LYS 42 Ca -0.51 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.14 2bxx h LYS 42 Cb 1.27 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.46 2bxx h LYS 42 CO 0.61 0.59 -0.33 -1.59 -0.57 0.00 0.00 179.45 178.16 2bxx s LYS 43 N -3.24 1.41 0.93 3.15 -2.85 -1.26 -4.94 119.74 112.93 2bxx s LYS 43 Ca 0.01 -1.41 -0.10 0.00 -1.00 0.00 0.00 55.97 53.46 2bxx s LYS 43 Cb 0.10 0.39 0.15 0.00 -2.06 0.00 0.00 37.83 36.41 2bxx s LYS 43 CO 0.75 -0.54 1.12 -0.51 0.10 0.00 0.00 175.35 176.27 2bxx s LEU 44 N -3.08 2.60 -1.40 2.77 1.43 -1.26 -3.97 118.68 115.77 2bxx s LEU 44 Ca 0.29 2.03 -0.06 0.00 -1.03 0.00 0.00 54.13 55.36 2bxx s LEU 44 Cb 0.03 -4.39 0.04 0.00 0.03 0.00 0.00 46.19 41.89 2bxx s LEU 44 CO 0.10 -3.09 0.87 -3.20 0.23 0.00 0.00 176.35 171.26 2bxx n ASN 45 N -4.22 -3.12 -4.78 2.29 4.05 -1.26 -4.98 115.26 103.24 2bxx n ASN 45 Ca 0.10 -0.77 -0.36 0.00 0.45 0.00 0.00 54.58 54.00 2bxx n ASN 45 Cb 0.53 -4.13 -0.07 0.00 1.23 0.00 0.00 39.78 37.34 2bxx n ASN 45 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2bxx s THR 46 N -3.48 5.34 1.04 -0.44 2.01 -1.25 -5.09 115.64 113.76 2bxx s THR 46 Ca 0.32 0.43 -0.12 0.00 0.31 0.00 0.00 61.69 62.63 2bxx s THR 46 Cb -0.16 -3.55 0.21 0.00 0.01 0.00 0.00 72.50 69.01 2bxx s THR 46 CO 0.81 0.49 1.07 -2.16 -0.69 0.00 0.00 174.62 174.13 2bxx s PRO 47 N -0.16 0.09 0.78 4.92 0.04 -1.26 -4.98 135.00 134.42 2bxx s PRO 47 Ca 0.15 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 61.87 2bxx s PRO 47 Cb -0.13 -1.67 0.04 0.00 0.04 0.00 0.00 34.50 32.78 2bxx s PRO 47 CO 0.04 -3.04 1.01 -2.30 0.04 0.00 0.00 177.00 172.74 2bxx n PRO 48 N -4.44 0.30 -2.19 0.56 -0.02 -1.26 -4.94 135.00 123.02 2bxx n PRO 48 Ca 0.05 0.17 -0.38 0.00 -2.02 0.00 0.00 63.50 61.32 2bxx n PRO 48 Cb 0.55 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 2bxx n PRO 48 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2bxx s PRO 49 N -3.67 3.87 0.06 0.52 0.04 -1.26 -5.04 135.00 129.53 2bxx s PRO 49 Ca 0.72 1.93 0.06 0.00 0.04 0.00 0.00 61.00 63.74 2bxx s PRO 49 Cb -0.31 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 2bxx s PRO 49 CO 0.52 -0.50 -0.10 0.15 0.04 0.00 0.00 177.00 177.12 2bxx s LYS 50 N -2.45 2.28 -0.07 4.56 1.02 -1.26 -4.99 119.74 118.83 2bxx s LYS 50 Ca 0.60 -0.91 0.05 0.00 0.02 0.00 0.00 55.97 55.73 2bxx s LYS 50 Cb -0.33 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.61 2bxx s LYS 50 CO 0.41 0.54 -0.22 -0.06 -0.92 0.00 0.00 175.35 175.10 2bxx s PHE 51 N -1.11 2.53 0.06 3.18 0.40 -1.26 -1.09 117.98 120.70 2bxx s PHE 51 Ca 0.19 -0.67 -0.30 0.00 -0.60 0.00 0.00 56.93 55.55 2bxx s PHE 51 Cb -0.11 -1.65 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 2bxx s PHE 51 CO 0.11 -0.18 1.07 -2.00 0.70 0.00 0.00 175.22 174.91 2bxx s GLU 52 N -0.12 4.54 2.56 0.44 2.12 -0.20 -4.82 118.70 123.22 2bxx s GLU 52 Ca -0.04 1.59 0.00 0.00 0.36 0.00 0.00 54.97 56.88 2bxx s GLU 52 Cb -0.14 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.86 2bxx s GLU 52 CO 0.04 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 2bxx n GLY 53 N 2.82 -0.67 0.17 -1.50 0.00 -1.21 -1.33 105.19 103.47 2bxx n GLY 53 Ca 0.06 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 44.89 2bxx n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bxx h SER 54 N 2.82 0.28 0.00 1.61 4.64 -1.83 -3.47 113.55 117.59 2bxx h SER 54 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2bxx h SER 54 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2bxx h SER 54 CO 0.00 0.82 0.00 0.61 -0.87 0.00 0.00 176.83 177.39 2bxx n GLY 55 N 0.28 0.82 3.69 -0.77 0.00 -1.26 -3.60 105.19 104.34 2bxx n GLY 55 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2bxx n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bxx s VAL 56 N -3.27 5.05 0.55 1.61 1.01 -1.26 -4.96 120.40 119.12 2bxx s VAL 56 Ca 0.00 1.25 -0.22 0.00 0.00 0.00 0.00 61.98 63.02 2bxx s VAL 56 Cb 0.00 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2bxx s VAL 56 CO 0.00 0.19 1.36 -2.84 0.00 0.00 0.00 175.10 173.81 2bxx s PRO 57 N 1.37 3.13 0.16 2.72 0.02 -1.26 -4.87 135.00 136.26 2bxx s PRO 57 Ca 0.31 2.25 -0.34 0.00 0.02 0.00 0.00 61.00 63.25 2bxx s PRO 57 Cb -0.16 -2.26 -0.14 0.00 0.02 0.00 0.00 34.50 31.96 2bxx s PRO 57 CO 0.13 -1.20 1.58 -0.25 -0.33 0.00 0.00 177.00 176.92 2bxx n ASP 58 N -1.04 3.11 -3.15 2.53 10.43 0.96 -4.97 116.55 124.42 2bxx n ASP 58 Ca 0.10 1.08 0.04 0.00 2.57 0.00 0.00 54.79 58.59 2bxx n ASP 58 Cb 0.45 -1.43 -0.01 0.00 1.84 0.00 0.00 41.12 41.97 2bxx n ASP 58 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 2bxx s ASN 59 N 0.91 -1.35 0.51 -2.24 3.84 -1.26 -4.78 114.94 110.57 2bxx s ASN 59 Ca 0.79 0.54 0.29 0.00 0.21 0.00 0.00 52.86 54.69 2bxx s ASN 59 Cb -0.68 2.01 1.31 0.00 -0.55 0.00 0.00 41.25 43.34 2bxx s ASN 59 CO 0.38 -0.25 1.98 -0.33 -2.79 0.00 0.00 177.10 176.09 2bxx h GLU 60 N 7.96 0.00 -1.49 0.43 5.08 -2.03 -3.27 114.58 121.26 2bxx h GLU 60 Ca -0.14 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.82 2bxx h GLU 60 Cb 1.17 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.25 2bxx h GLU 60 CO 0.17 0.12 0.50 -1.71 -1.00 0.00 0.00 179.01 177.10 2bxx n ASN 61 N -3.37 6.70 -3.81 1.42 5.15 -1.26 -4.78 115.26 115.31 2bxx n ASN 61 Ca -0.01 -3.21 -0.14 0.00 -0.60 0.00 0.00 54.58 50.63 2bxx n ASN 61 Cb 0.31 -1.06 -0.15 0.00 -0.53 0.00 0.00 39.78 38.35 2bxx n ASN 61 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2bxx s ILE 62 N -2.75 -0.03 0.36 -1.44 -1.09 -1.24 -5.11 121.20 109.90 2bxx s ILE 62 Ca 0.40 0.12 -0.28 0.00 -2.23 0.00 0.00 60.65 58.66 2bxx s ILE 62 Cb 0.30 -0.09 -0.11 0.00 -1.58 0.00 0.00 42.46 40.98 2bxx s ILE 62 CO -0.03 0.05 1.44 0.29 -1.23 0.00 0.00 174.94 175.46 2bxx n LYS 63 N 3.72 2.54 -0.09 2.79 5.02 -1.26 -4.90 118.16 125.98 2bxx n LYS 63 Ca -0.21 0.89 0.15 0.00 -2.02 0.00 0.00 58.31 57.12 2bxx n LYS 63 Cb 0.54 -2.59 0.55 0.00 -0.02 0.00 0.00 35.03 33.52 2bxx n LYS 63 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2bxx h PRO 64 N 2.92 0.29 0.00 1.97 0.11 -1.96 -0.20 132.00 135.13 2bxx h PRO 64 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2bxx h PRO 64 Cb 1.25 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2bxx h PRO 64 CO 0.64 0.19 -0.04 0.66 -0.21 0.00 0.00 178.00 179.25 2bxx h SER 65 N 0.30 0.00 -0.56 -2.05 4.64 -1.91 -2.44 113.55 111.53 2bxx h SER 65 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2bxx h SER 65 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2bxx h SER 65 CO -0.07 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 2bxx n GLN 66 N -4.07 3.60 -1.88 4.77 6.02 -0.10 -1.12 117.38 124.60 2bxx n GLN 66 Ca -0.03 -2.81 -0.42 0.00 -0.01 0.00 0.00 57.00 53.74 2bxx n GLN 66 Cb 0.12 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.55 2bxx n GLN 66 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2bxx n GLN 67 N 0.82 3.13 -3.63 -1.09 1.13 -0.92 -4.85 117.38 111.98 2bxx n GLN 67 Ca 0.24 -2.85 -0.16 0.00 -1.94 0.00 0.00 57.00 52.29 2bxx n GLN 67 Cb 0.85 -3.16 -0.07 0.00 0.11 0.00 0.00 30.24 27.97 2bxx n GLN 67 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 2bxx s HIS 68 N 2.30 -0.49 0.00 1.08 -3.43 -1.26 -1.47 115.29 112.02 2bxx s HIS 68 Ca 0.46 0.89 0.00 0.00 -0.80 0.00 0.00 55.06 55.61 2bxx s HIS 68 Cb 0.13 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.55 2bxx s HIS 68 CO -0.06 -0.49 0.00 0.41 -2.00 0.00 0.00 174.74 172.60 2bxx n GLY 69 N 1.32 1.25 3.06 -1.38 0.00 -0.56 -2.71 105.19 106.17 2bxx n GLY 69 Ca -0.19 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 2bxx n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bxx s TYR 70 N -2.55 0.70 -0.13 1.61 -0.85 0.05 -0.90 117.35 115.28 2bxx s TYR 70 Ca 0.00 -0.46 -0.11 0.00 -0.52 0.00 0.00 57.07 55.98 2bxx s TYR 70 Cb 0.00 -0.42 -0.05 0.00 0.38 0.00 0.00 41.96 41.88 2bxx s TYR 70 CO 0.00 -0.07 0.23 -1.58 -1.52 0.00 0.00 175.55 172.62 2bxx s TRP 71 N -1.26 3.54 -0.09 -3.49 0.52 0.10 -0.96 118.94 117.29 2bxx s TRP 71 Ca -0.08 0.59 0.03 0.00 0.02 0.00 0.00 56.10 56.66 2bxx s TRP 71 Cb -0.09 -2.17 0.00 0.00 -1.15 0.00 0.00 33.47 30.06 2bxx s TRP 71 CO 0.00 0.47 -0.20 0.50 0.02 0.00 0.00 176.95 177.75 2bxx s ARG 72 N -0.29 2.65 0.24 4.98 3.52 0.34 -1.30 118.95 129.10 2bxx s ARG 72 Ca 0.16 -0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 2bxx s ARG 72 Cb -0.13 -2.05 -0.09 0.00 -1.56 0.00 0.00 34.95 31.12 2bxx s ARG 72 CO 0.04 0.12 1.16 0.50 -0.81 0.00 0.00 175.30 176.31 2bxx s ARG 73 N 0.47 4.55 -0.18 5.12 3.52 0.02 -1.51 118.95 130.94 2bxx s ARG 73 Ca -0.17 1.87 -0.00 0.00 -0.13 0.00 0.00 55.73 57.29 2bxx s ARG 73 Cb -0.17 -3.20 0.04 0.00 -1.56 0.00 0.00 34.95 30.06 2bxx s ARG 73 CO 0.07 0.05 -0.05 -1.14 -0.81 0.00 0.00 175.30 173.41 2bxx s GLN 74 N -0.93 1.43 0.19 5.12 0.74 0.78 -4.97 119.66 122.02 2bxx s GLN 74 Ca 0.48 -0.58 -0.33 0.00 0.05 0.00 0.00 55.36 54.99 2bxx s GLN 74 Cb -0.33 -2.09 -0.13 0.00 1.10 0.00 0.00 33.01 31.56 2bxx s GLN 74 CO 0.40 -0.46 1.66 0.00 -0.55 0.00 0.00 175.29 176.34 2bxx n ALA 75 N 4.85 2.25 -2.61 1.58 0.00 -1.26 -2.32 120.51 123.00 2bxx n ALA 75 Ca -0.12 0.42 -0.26 0.00 0.00 0.00 0.00 53.44 53.48 2bxx n ALA 75 Cb 0.47 -2.45 -0.08 0.00 0.00 0.00 0.00 19.45 17.38 2bxx n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2bxx s ARG 76 N 1.02 2.22 0.05 0.00 0.52 -1.26 -4.95 118.95 116.55 2bxx s ARG 76 Ca 0.76 -1.22 -0.01 0.00 -0.52 0.00 0.00 55.73 54.74 2bxx s ARG 76 Cb -0.57 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 2bxx s ARG 76 CO 0.35 0.44 -0.03 -0.06 0.02 0.00 0.00 175.30 176.01 2bxx s PHE 77 N -1.78 0.54 -0.00 -0.53 0.40 -1.26 -1.58 117.98 113.77 2bxx s PHE 77 Ca 0.27 -1.00 0.02 0.00 -0.60 0.00 0.00 56.93 55.61 2bxx s PHE 77 Cb -0.09 -0.39 -0.01 0.00 0.51 0.00 0.00 43.02 43.05 2bxx s PHE 77 CO 0.17 -0.33 -0.06 0.21 0.70 0.00 0.00 175.22 175.91 2bxx s LYS 78 N -3.67 0.45 0.20 0.44 2.20 0.56 -4.83 119.74 115.09 2bxx s LYS 78 Ca 0.05 -0.24 -0.31 0.00 -0.36 0.00 0.00 55.97 55.11 2bxx s LYS 78 Cb 0.06 -0.42 -0.15 0.00 -1.51 0.00 0.00 37.83 35.81 2bxx s LYS 78 CO -0.09 0.11 1.11 -2.30 -0.36 0.00 0.00 175.35 173.82 2bxx n PRO 79 N 2.84 1.18 -4.33 4.03 -0.02 -1.26 0.95 135.00 138.39 2bxx n PRO 79 Ca -0.14 0.42 -0.17 0.00 -2.02 0.00 0.00 63.50 61.59 2bxx n PRO 79 Cb 0.58 -1.87 -0.10 0.00 -0.02 0.00 0.00 33.50 32.08 2bxx n PRO 79 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2bxx s GLY 80 N -0.17 1.50 0.12 -1.23 0.00 -0.32 -4.56 107.32 102.65 2bxx s GLY 80 Ca 0.69 -1.73 -0.16 0.00 0.00 0.00 0.00 44.72 43.52 2bxx s GLY 80 CO 0.54 -1.69 1.60 1.70 0.00 0.00 0.00 173.10 175.26 2bxx h LYS 81 N 2.51 0.59 0.00 2.90 3.11 -1.98 -2.65 116.57 121.05 2bxx h LYS 81 Ca -0.38 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.31 2bxx h LYS 81 Cb 1.22 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.38 2bxx h LYS 81 CO 0.65 0.65 0.00 0.41 -2.81 0.00 0.00 179.45 178.34 2bxx n GLY 82 N -0.52 -1.04 0.00 5.01 0.00 -1.26 -4.96 105.19 102.42 2bxx n GLY 82 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2bxx n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bxx n GLY 83 N 0.95 -0.46 3.10 -0.02 0.00 -1.00 -5.08 105.19 102.68 2bxx n GLY 83 Ca 0.19 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 2bxx n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bxx s ARG 84 N 0.00 0.25 0.05 1.61 0.52 -1.26 -1.17 118.95 118.94 2bxx s ARG 84 Ca 0.00 0.48 0.03 0.00 -0.52 0.00 0.00 55.73 55.72 2bxx s ARG 84 Cb 0.00 -0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 2bxx s ARG 84 CO 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 175.30 175.20 2bxx s PRO 86 N -1.95 4.17 0.16 0.00 0.04 -1.26 -0.32 135.00 135.83 2bxx s PRO 86 Ca 0.23 2.49 0.11 0.00 0.04 0.00 0.00 61.00 63.86 2bxx s PRO 86 Cb -0.12 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 2bxx s PRO 86 CO 0.15 -0.54 -0.22 0.08 0.04 0.00 0.00 177.00 176.50 2bxx s VAL 87 N -0.29 2.50 0.53 -0.36 1.01 -0.61 -4.82 120.40 118.36 2bxx s VAL 87 Ca 0.59 -1.81 -0.21 0.00 0.00 0.00 0.00 61.98 60.55 2bxx s VAL 87 Cb -0.46 -2.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.69 2bxx s VAL 87 CO 0.50 -0.01 0.99 -2.65 0.00 0.00 0.00 175.10 173.93 2bxx n PRO 88 N 0.54 1.11 -1.50 2.72 -0.02 -1.26 -4.01 135.00 132.58 2bxx n PRO 88 Ca -0.15 0.41 -0.36 0.00 -2.02 0.00 0.00 63.50 61.39 2bxx n PRO 88 Cb 0.54 -2.14 0.08 0.00 -0.02 0.00 0.00 33.50 31.97 2bxx n PRO 88 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2bxx n ASP 89 N -0.26 1.13 -4.57 2.55 8.00 -1.26 -4.52 116.55 117.63 2bxx n ASP 89 Ca 0.12 0.73 -0.29 0.00 0.71 0.00 0.00 54.79 56.06 2bxx n ASP 89 Cb 0.44 -1.47 -0.10 0.00 -0.02 0.00 0.00 41.12 39.98 2bxx n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bxx s ALA 90 N -1.66 2.92 -0.04 2.24 0.00 -0.98 -0.56 121.76 123.68 2bxx s ALA 90 Ca 0.77 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 51.50 2bxx s ALA 90 Cb -0.36 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 2bxx s ALA 90 CO 0.46 0.62 -0.18 -1.58 0.00 0.00 0.00 175.76 175.08 2bxx s TRP 91 N -1.24 1.81 0.01 0.00 0.52 0.03 -0.15 118.94 119.91 2bxx s TRP 91 Ca 0.21 -0.50 0.08 0.00 0.02 0.00 0.00 56.10 55.92 2bxx s TRP 91 Cb -0.11 -1.21 -0.02 0.00 -1.15 0.00 0.00 33.47 30.98 2bxx s TRP 91 CO 0.13 -0.15 -0.25 0.71 0.02 0.00 0.00 176.95 177.41 2bxx s TYR 92 N -0.05 2.24 -0.01 -1.98 1.51 -0.57 -1.82 117.35 116.66 2bxx s TYR 92 Ca -0.02 -0.42 -0.15 0.00 -1.01 0.00 0.00 57.07 55.47 2bxx s TYR 92 Cb -0.11 -1.40 -0.06 0.00 -0.11 0.00 0.00 41.96 40.28 2bxx s TYR 92 CO 0.02 0.03 0.41 0.12 -1.11 0.00 0.00 175.55 175.02 2bxx s PHE 93 N -0.68 3.70 -0.01 2.71 5.36 -1.26 -0.51 117.98 127.30 2bxx s PHE 93 Ca 0.10 0.98 0.01 0.00 -0.96 0.00 0.00 56.93 57.06 2bxx s PHE 93 Cb -0.10 -2.31 0.00 0.00 -0.34 0.00 0.00 43.02 40.27 2bxx s PHE 93 CO 0.00 0.59 -0.02 0.71 -1.46 0.00 0.00 175.22 175.05 2bxx s TYR 94 N -0.89 0.25 0.39 10.12 1.51 -0.14 -4.38 117.35 124.22 2bxx s TYR 94 Ca 0.24 -0.03 -0.27 0.00 -1.01 0.00 0.00 57.07 56.00 2bxx s TYR 94 Cb -0.16 -0.21 -0.09 0.00 -0.11 0.00 0.00 41.96 41.39 2bxx s TYR 94 CO 0.13 -0.03 1.32 0.71 -1.11 0.00 0.00 175.55 176.57 2bxx s TYR 95 N 0.17 2.83 0.10 2.71 1.51 -1.26 -0.77 117.35 122.65 2bxx s TYR 95 Ca -0.01 1.39 -0.36 0.00 -1.01 0.00 0.00 57.07 57.08 2bxx s TYR 95 Cb -0.04 -3.70 -0.17 0.00 -0.11 0.00 0.00 41.96 37.95 2bxx s TYR 95 CO -0.00 -2.13 1.28 2.41 -1.11 0.00 0.00 175.55 175.99 2bxx n THR 96 N 0.24 0.24 -0.80 -0.71 -1.04 -1.10 -1.68 114.28 109.43 2bxx n THR 96 Ca 0.03 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2bxx n THR 96 Cb 0.43 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 2bxx n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bxx n GLY 97 N 2.34 0.63 3.44 3.41 0.00 -1.26 -4.55 105.19 109.20 2bxx n GLY 97 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 2bxx n GLY 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bxx s THR 98 N -2.16 1.78 0.00 2.61 -4.23 -0.68 -4.72 115.64 108.24 2bxx s THR 98 Ca 0.00 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 2bxx s THR 98 Cb 0.00 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2bxx s THR 98 CO 0.00 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 2bxx n GLY 99 N -0.59 -2.03 0.33 3.99 0.00 -1.26 -3.25 105.19 102.38 2bxx n GLY 99 Ca -0.06 -1.49 0.17 0.00 0.00 0.00 0.00 46.02 44.64 2bxx n GLY 99 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2bxx h PRO 100 N 0.00 0.00 -0.41 1.61 0.11 -2.00 -1.37 132.00 129.94 2bxx h PRO 100 Ca 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.87 2bxx h PRO 100 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 30.96 2bxx h PRO 100 CO 0.00 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 177.64 2bxx n ALA 101 N -2.29 4.49 0.03 -0.75 0.00 -1.26 -4.73 120.51 116.00 2bxx n ALA 101 Ca 0.00 -3.26 0.22 0.00 0.00 0.00 0.00 53.44 50.40 2bxx n ALA 101 Cb 0.26 -0.72 0.73 0.00 0.00 0.00 0.00 19.45 19.71 2bxx n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bxx h ALA 102 N 1.19 2.28 0.00 0.00 0.00 -1.22 -1.79 119.26 119.72 2bxx h ALA 102 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2bxx h ALA 102 Cb 1.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2bxx h ALA 102 CO 0.47 -0.77 0.00 0.38 0.00 0.00 0.00 179.25 179.33 2bxx h ASP 103 N 0.00 0.00 -3.46 0.00 2.03 -1.85 -3.38 116.42 109.75 2bxx h ASP 103 Ca 0.25 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 56.01 2bxx h ASP 103 Cb 1.25 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.72 2bxx h ASP 103 CO -0.00 0.00 -0.06 -0.76 -1.03 0.00 0.00 179.24 177.39 2bxx s LEU 104 N -4.93 4.20 0.17 0.15 1.43 -0.67 -5.09 118.68 113.95 2bxx s LEU 104 Ca 0.04 1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 54.12 2bxx s LEU 104 Cb 0.09 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.62 2bxx s LEU 104 CO 0.44 -0.04 0.44 0.20 0.23 0.00 0.00 176.35 177.62 2bxx s ASN 105 N -2.14 6.55 -0.09 2.29 0.01 -1.26 -4.37 114.94 115.93 2bxx s ASN 105 Ca 0.46 0.72 -0.38 0.00 -0.71 0.00 0.00 52.86 52.96 2bxx s ASN 105 Cb -0.12 -2.15 -0.15 0.00 0.41 0.00 0.00 41.25 39.24 2bxx s ASN 105 CO 0.20 0.02 1.62 1.87 -1.51 0.00 0.00 177.10 179.29 2bxx n TRP 106 N 0.06 1.93 0.00 2.20 -0.00 -1.26 -1.47 117.44 118.91 2bxx n TRP 106 Ca -0.02 0.47 0.00 0.00 -0.00 0.00 0.00 57.50 57.95 2bxx n TRP 106 Cb 0.52 -2.45 0.00 0.00 -0.00 0.00 0.00 31.31 29.38 2bxx n TRP 106 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2bxx n GLY 107 N 3.60 2.19 3.66 5.87 0.00 -1.26 -5.06 105.19 114.19 2bxx n GLY 107 Ca 0.22 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 2bxx n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bxx n ASP 108 N 0.00 2.54 -4.71 1.61 8.00 -0.54 -4.94 116.55 118.52 2bxx n ASP 108 Ca 0.00 1.14 -0.42 0.00 0.71 0.00 0.00 54.79 56.22 2bxx n ASP 108 Cb 0.00 -1.40 -0.03 0.00 -0.02 0.00 0.00 41.12 39.67 2bxx n ASP 108 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2bxx s THR 109 N -0.12 4.00 -0.29 -3.53 2.01 -1.26 -4.99 115.64 111.45 2bxx s THR 109 Ca 0.68 1.41 -0.15 0.00 0.31 0.00 0.00 61.69 63.95 2bxx s THR 109 Cb -0.68 -3.91 0.10 0.00 0.01 0.00 0.00 72.50 68.03 2bxx s THR 109 CO 0.51 0.08 0.73 -1.58 -0.69 0.00 0.00 174.62 173.67 2bxx s GLN 110 N 1.37 0.63 0.19 4.92 2.00 -1.26 -5.12 119.66 122.39 2bxx s GLN 110 Ca 0.59 1.18 -0.33 0.00 -2.00 0.00 0.00 55.36 54.81 2bxx s GLN 110 Cb -0.29 0.28 -0.13 0.00 0.80 0.00 0.00 33.01 33.67 2bxx s GLN 110 CO 0.28 -0.15 1.64 -0.25 -0.50 0.00 0.00 175.29 176.30 2bxx n ASP 111 N 4.48 3.50 0.00 6.67 8.00 -1.26 -2.02 116.55 135.92 2bxx n ASP 111 Ca -0.18 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.40 2bxx n ASP 111 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 2bxx n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bxx n GLY 112 N 3.56 0.55 2.92 0.44 0.00 -1.26 -4.96 105.19 106.44 2bxx n GLY 112 Ca 0.16 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 2bxx n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bxx s ILE 113 N -2.00 0.91 -0.16 -0.61 -1.09 -0.86 -0.80 121.20 116.60 2bxx s ILE 113 Ca 0.00 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 2bxx s ILE 113 Cb 0.00 -0.91 0.01 0.00 -1.58 0.00 0.00 42.46 39.98 2bxx s ILE 113 CO 0.00 0.33 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.15 2bxx s VAL 114 N 1.30 2.22 0.04 2.92 1.01 -0.42 -4.71 120.40 122.75 2bxx s VAL 114 Ca -0.03 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 2bxx s VAL 114 Cb -0.14 -1.91 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 2bxx s VAL 114 CO -0.03 0.54 0.51 0.26 0.00 0.00 0.00 175.10 176.37 2bxx s TRP 115 N 0.98 3.77 0.04 5.22 0.52 -1.26 -0.72 118.94 127.48 2bxx s TRP 115 Ca -0.03 1.16 0.02 0.00 0.02 0.00 0.00 56.10 57.27 2bxx s TRP 115 Cb -0.15 -2.42 -0.02 0.00 -1.15 0.00 0.00 33.47 29.73 2bxx s TRP 115 CO -0.05 0.59 -0.08 0.14 0.02 0.00 0.00 176.95 177.58 2bxx s VAL 116 N -1.03 0.54 -0.27 4.03 -7.23 -0.07 -4.99 120.40 111.38 2bxx s VAL 116 Ca 0.27 -0.98 -0.24 0.00 -1.81 0.00 0.00 61.98 59.22 2bxx s VAL 116 Cb -0.18 -0.59 0.07 0.00 0.56 0.00 0.00 36.38 36.24 2bxx s VAL 116 CO 0.17 -0.31 0.72 0.00 -0.31 0.00 0.00 175.10 175.36 2bxx s ALA 117 N -1.22 -1.79 0.48 1.32 0.00 -1.24 -1.50 121.76 117.82 2bxx s ALA 117 Ca -0.08 2.06 -0.02 0.00 0.00 0.00 0.00 51.96 53.92 2bxx s ALA 117 Cb -0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 2bxx s ALA 117 CO 0.00 -0.34 0.74 0.00 0.00 0.00 0.00 175.76 176.16 2bxx s ALA 118 N 0.48 3.58 0.21 0.00 0.00 -0.54 -4.68 121.76 120.80 2bxx s ALA 118 Ca -0.01 -0.87 -0.32 0.00 0.00 0.00 0.00 51.96 50.77 2bxx s ALA 118 Cb -0.05 -2.33 -0.12 0.00 0.00 0.00 0.00 23.12 20.63 2bxx s ALA 118 CO -0.01 -0.46 1.69 0.21 0.00 0.00 0.00 175.76 177.19 2bxx s LYS 119 N -4.68 4.14 0.00 0.00 2.20 -1.26 -2.03 119.74 118.11 2bxx s LYS 119 Ca 0.49 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.67 2bxx s LYS 119 Cb -0.10 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 2bxx s LYS 119 CO 0.41 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 2bxx n GLY 120 N 3.78 0.15 3.73 5.54 0.00 -1.26 -4.98 105.19 112.14 2bxx n GLY 120 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2bxx n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bxx s ALA 121 N -2.00 3.30 -0.41 4.61 0.00 -0.86 -3.77 121.76 122.63 2bxx s ALA 121 Ca 0.00 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 52.55 2bxx s ALA 121 Cb 0.00 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.87 2bxx s ALA 121 CO 0.00 -0.13 0.24 0.34 0.00 0.00 0.00 175.76 176.22 2bxx s ASP 122 N 0.04 5.63 0.00 0.00 3.68 -0.28 -4.97 116.67 120.78 2bxx s ASP 122 Ca 0.49 -1.41 0.19 0.00 2.13 0.00 0.00 52.55 53.94 2bxx s ASP 122 Cb -0.26 -1.99 1.03 0.00 -1.45 0.00 0.00 42.92 40.26 2bxx s ASP 122 CO 0.32 -0.50 1.58 0.35 0.13 0.00 0.00 175.17 177.04 2bxx n THR 123 N 4.92 0.29 0.09 1.71 -2.24 -1.26 -1.69 114.28 116.09 2bxx n THR 123 Ca -0.10 0.07 -0.03 0.00 -2.27 0.00 0.00 64.05 61.72 2bxx n THR 123 Cb 0.43 -0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 67.84 2bxx n THR 123 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2bxx h LYS 124 N 0.00 0.00 -7.15 -0.78 1.79 -1.93 -3.41 116.57 105.09 2bxx h LYS 124 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 2bxx h LYS 124 Cb 0.12 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 30.89 2bxx h LYS 124 CO 0.00 0.72 0.41 -1.54 -1.08 0.00 0.00 179.45 177.96 2bxx s SER 125 N -6.51 4.98 -0.08 0.86 1.04 -0.69 -5.05 113.70 108.25 2bxx s SER 125 Ca 0.02 2.23 0.01 0.00 0.48 0.00 0.00 55.95 58.69 2bxx s SER 125 Cb 0.09 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.65 2bxx s SER 125 CO 0.79 -1.73 -0.11 -0.13 0.98 0.00 0.00 173.24 173.04 2bxx s ARG 126 N -3.72 1.68 0.69 4.02 1.81 -1.26 -4.97 118.95 117.20 2bxx s ARG 126 Ca 0.73 -0.37 -0.11 0.00 -1.72 0.00 0.00 55.73 54.25 2bxx s ARG 126 Cb -0.26 -1.50 0.01 0.00 -0.45 0.00 0.00 34.95 32.75 2bxx s ARG 126 CO 0.38 -0.07 1.07 -1.54 -0.68 0.00 0.00 175.30 174.46 2bxx s SER 127 N 1.01 5.55 -0.15 0.23 1.04 -1.26 -4.98 113.70 115.14 2bxx s SER 127 Ca -0.08 1.12 0.17 0.00 0.48 0.00 0.00 55.95 57.64 2bxx s SER 127 Cb -0.15 -1.97 0.70 0.00 0.10 0.00 0.00 66.02 64.70 2bxx s SER 127 CO -0.01 -1.26 1.61 0.59 0.98 0.00 0.00 173.24 175.16 2bxx n ASN 128 N -2.94 4.80 -0.00 7.02 4.13 -1.26 -4.63 115.26 122.38 2bxx n ASN 128 Ca 0.07 -2.63 0.17 0.00 1.68 0.00 0.00 54.58 53.86 2bxx n ASN 128 Cb 0.57 -0.58 0.63 0.00 -1.54 0.00 0.00 39.78 38.86 2bxx n ASN 128 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 2bxx h GLN 129 N 3.62 0.11 0.00 3.52 5.75 -1.99 -3.47 115.11 122.65 2bxx h GLN 129 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2bxx h GLN 129 Cb 1.55 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 30.08 2bxx h GLN 129 CO 0.29 0.07 0.00 0.41 -2.65 0.00 0.00 178.83 176.95 2bxx n GLY 130 N -1.60 1.26 3.66 2.39 0.00 -1.26 -4.82 105.19 104.82 2bxx n GLY 130 Ca 0.09 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 2bxx n GLY 130 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bxx s THR 131 N 0.00 1.66 -0.07 2.61 -4.23 -1.26 -4.84 115.64 109.51 2bxx s THR 131 Ca 0.00 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 2bxx s THR 131 Cb 0.00 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 2bxx s THR 131 CO 0.00 0.00 0.47 -0.60 -0.54 0.00 0.00 174.62 173.95 2bxx s ARG 132 N -3.77 4.24 -0.49 3.99 3.52 -0.27 -4.93 118.95 121.23 2bxx s ARG 132 Ca 0.25 0.46 -0.21 0.00 -0.13 0.00 0.00 55.73 56.10 2bxx s ARG 132 Cb 0.07 -3.37 0.04 0.00 -1.56 0.00 0.00 34.95 30.13 2bxx s ARG 132 CO 0.13 0.32 0.71 0.34 -0.81 0.00 0.00 175.30 175.99 2bxx s ASP 133 N 0.09 6.29 0.60 -2.12 2.15 -1.26 -3.64 116.67 118.77 2bxx s ASP 133 Ca 0.26 -0.56 0.40 0.00 0.43 0.00 0.00 52.55 53.08 2bxx s ASP 133 Cb -0.16 -2.34 2.09 0.00 -0.30 0.00 0.00 42.92 42.21 2bxx s ASP 133 CO 0.12 -0.93 2.21 1.55 -0.17 0.00 0.00 175.17 177.95 2bxx h PRO 134 N 9.02 0.00 0.00 4.34 0.13 -1.89 0.15 132.00 143.75 2bxx h PRO 134 Ca -0.26 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 2bxx h PRO 134 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2bxx h PRO 134 CO 0.97 0.00 -0.22 -0.44 -0.23 0.00 0.00 178.00 178.07 2bxx h ASP 135 N 0.00 0.00 0.00 1.44 3.32 -2.01 -3.37 116.42 115.81 2bxx h ASP 135 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 2bxx h ASP 135 Cb 0.09 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 2bxx h ASP 135 CO 0.00 0.22 -1.56 0.29 -1.72 0.00 0.00 179.24 176.48 2bxx n LYS 136 N -3.42 0.23 -5.04 3.56 5.02 0.06 -5.04 118.16 113.52 2bxx n LYS 136 Ca -0.00 0.07 -0.29 0.00 -2.02 0.00 0.00 58.31 56.07 2bxx n LYS 136 Cb 0.41 -1.10 -0.16 0.00 -0.02 0.00 0.00 35.03 34.16 2bxx n LYS 136 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2bxx s PHE 137 N -2.19 2.07 0.70 2.13 0.40 0.31 -5.07 117.98 116.32 2bxx s PHE 137 Ca -0.13 -0.61 -0.11 0.00 -0.60 0.00 0.00 56.93 55.47 2bxx s PHE 137 Cb 0.04 -1.37 0.01 0.00 0.51 0.00 0.00 43.02 42.21 2bxx s PHE 137 CO 0.21 -0.20 1.07 -0.51 0.70 0.00 0.00 175.22 176.49 2bxx s ASP 138 N -0.05 5.27 0.44 1.36 1.01 -1.26 -4.15 116.67 119.29 2bxx s ASP 138 Ca -0.04 1.68 -0.24 0.00 0.71 0.00 0.00 52.55 54.65 2bxx s ASP 138 Cb -0.13 -2.50 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 2bxx s ASP 138 CO 0.03 -1.52 1.20 0.00 0.21 0.00 0.00 175.17 175.10 2bxx s GLN 139 N -4.91 3.85 0.24 8.23 -2.07 -1.26 -5.01 119.66 118.73 2bxx s GLN 139 Ca 0.59 1.89 -0.30 0.00 -1.82 0.00 0.00 55.36 55.73 2bxx s GLN 139 Cb -0.15 -2.55 -0.09 0.00 -1.09 0.00 0.00 33.01 29.14 2bxx s GLN 139 CO 0.53 -0.51 1.10 0.71 -1.32 0.00 0.00 175.29 175.80 2bxx s TYR 140 N -1.43 3.60 0.46 9.60 4.12 0.16 -4.81 117.35 129.05 2bxx s TYR 140 Ca 0.61 1.67 -0.24 0.00 0.02 0.00 0.00 57.07 59.12 2bxx s TYR 140 Cb -0.32 -3.27 -0.07 0.00 -1.52 0.00 0.00 41.96 36.78 2bxx s TYR 140 CO 0.39 -0.54 1.37 -1.25 0.02 0.00 0.00 175.55 175.54 2bxx s PRO 141 N -1.03 3.62 -0.15 -1.71 0.04 -1.26 -1.94 135.00 132.57 2bxx s PRO 141 Ca 0.46 2.29 -0.22 0.00 0.04 0.00 0.00 61.00 63.57 2bxx s PRO 141 Cb -0.31 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 2bxx s PRO 141 CO 0.38 -0.82 0.66 -0.51 0.04 0.00 0.00 177.00 176.75 2bxx s LEU 142 N -2.86 4.21 0.00 -3.56 1.43 -1.26 -4.87 118.68 111.77 2bxx s LEU 142 Ca 0.63 0.98 0.01 0.00 -1.03 0.00 0.00 54.13 54.72 2bxx s LEU 142 Cb -0.41 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 2bxx s LEU 142 CO 0.52 -0.21 -0.04 -0.13 0.23 0.00 0.00 176.35 176.72 2bxx s ARG 143 N 1.46 0.30 -0.43 1.70 1.81 -1.26 -5.02 118.95 117.51 2bxx s ARG 143 Ca 0.32 -0.20 0.02 0.00 -1.72 0.00 0.00 55.73 54.15 2bxx s ARG 143 Cb -0.16 -0.25 0.13 0.00 -0.45 0.00 0.00 34.95 34.22 2bxx s ARG 143 CO 0.13 0.07 0.22 -0.06 -0.68 0.00 0.00 175.30 174.97 2bxx s PHE 144 N -0.26 2.13 -0.19 -0.53 0.40 -1.26 -0.03 117.98 118.24 2bxx s PHE 144 Ca -0.01 -2.44 0.28 0.00 -0.60 0.00 0.00 56.93 54.16 2bxx s PHE 144 Cb -0.03 -2.00 1.23 0.00 0.51 0.00 0.00 43.02 42.73 2bxx s PHE 144 CO -0.00 -0.80 1.83 0.77 0.70 0.00 0.00 175.22 177.73 2bxx h SER 145 N 6.89 0.00 -0.57 1.36 0.02 -1.98 -2.75 113.55 116.53 2bxx h SER 145 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2bxx h SER 145 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2bxx h SER 145 CO 0.50 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.29 2bxx n ASP 146 N -2.54 4.09 0.00 3.07 5.75 -1.26 -5.04 116.55 120.61 2bxx n ASP 146 Ca 0.01 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.50 2bxx n ASP 146 Cb 0.21 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 2bxx n ASP 146 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bxx n GLY 147 N 0.97 0.37 0.00 6.12 0.00 -1.04 -3.29 105.19 108.33 2bxx n GLY 147 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2bxx n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bxx n GLY 148 N 0.00 1.33 3.77 -0.02 0.00 -0.44 -4.72 105.19 105.11 2bxx n GLY 148 Ca 0.00 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 2bxx n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bxx s PRO 149 N -1.19 2.25 1.10 1.61 0.04 -1.26 -1.03 135.00 136.51 2bxx s PRO 149 Ca 0.00 1.11 -0.14 0.00 0.04 0.00 0.00 61.00 62.01 2bxx s PRO 149 Cb 0.00 -1.90 0.24 0.00 0.04 0.00 0.00 34.50 32.88 2bxx s PRO 149 CO 0.00 -1.63 1.07 0.16 0.04 0.00 0.00 177.00 176.64 2bxx s ASP 150 N -3.45 1.71 0.00 6.66 -4.77 -0.25 -4.85 116.67 111.73 2bxx s ASP 150 Ca 0.61 1.18 0.09 0.00 -3.30 0.00 0.00 52.55 51.13 2bxx s ASP 150 Cb -0.17 -1.83 0.41 0.00 -1.09 0.00 0.00 42.92 40.23 2bxx s ASP 150 CO 0.56 -3.70 1.20 0.61 0.70 0.00 0.00 175.17 174.54 2bxx n GLY 151 N -0.42 -0.66 0.17 2.12 0.00 -1.26 -1.48 105.19 103.66 2bxx n GLY 151 Ca 0.05 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2bxx n GLY 151 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bxx h ASN 152 N 0.00 0.00 -3.98 1.61 2.35 -1.97 -3.45 115.58 110.14 2bxx h ASN 152 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 2bxx h ASN 152 Cb 0.11 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 38.27 2bxx h ASN 152 CO 0.00 0.00 -0.83 -0.36 -1.65 0.00 0.00 177.43 174.59 2bxx s PHE 153 N -3.45 1.96 0.24 1.19 0.40 -0.55 -1.28 117.98 116.50 2bxx s PHE 153 Ca 0.02 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 2bxx s PHE 153 Cb 0.09 -1.05 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 2bxx s PHE 153 CO 0.37 0.27 0.19 -0.98 0.70 0.00 0.00 175.22 175.77 2bxx s ARG 154 N -2.10 1.39 0.05 0.44 1.70 -0.10 -4.88 118.95 115.46 2bxx s ARG 154 Ca 0.10 -1.75 -0.22 0.00 -0.47 0.00 0.00 55.73 53.39 2bxx s ARG 154 Cb -0.09 0.29 0.05 0.00 -0.57 0.00 0.00 34.95 34.63 2bxx s ARG 154 CO 0.05 -0.48 0.52 1.67 -1.08 0.00 0.00 175.30 175.98 2bxx s TRP 155 N -3.91 -0.43 0.50 5.89 -2.14 -1.26 -0.08 118.94 117.51 2bxx s TRP 155 Ca 0.39 0.47 -0.21 0.00 2.66 0.00 0.00 56.10 59.41 2bxx s TRP 155 Cb 0.05 0.35 -0.06 0.00 -3.10 0.00 0.00 33.47 30.71 2bxx s TRP 155 CO 0.17 -0.65 1.16 -0.51 -2.66 0.00 0.00 176.95 174.46 2bxx s ASP 156 N -1.99 5.89 -0.06 -2.66 1.01 -1.26 -4.99 116.67 112.61 2bxx s ASP 156 Ca -0.05 2.28 -0.30 0.00 0.71 0.00 0.00 52.55 55.19 2bxx s ASP 156 Cb -0.01 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2bxx s ASP 156 CO -0.02 -1.11 1.11 0.12 0.21 0.00 0.00 175.17 175.48 2bxx s PHE 157 N -1.62 3.36 -0.06 4.23 5.36 -1.26 -4.91 117.98 123.08 2bxx s PHE 157 Ca 0.68 1.39 0.02 0.00 -0.96 0.00 0.00 56.93 58.07 2bxx s PHE 157 Cb -0.27 -3.32 0.02 0.00 -0.34 0.00 0.00 43.02 39.11 2bxx s PHE 157 CO 0.32 -0.82 -0.09 0.42 -1.46 0.00 0.00 175.22 173.58 2bxx s ILE 158 N 1.95 0.93 0.44 3.12 1.01 -1.26 -5.14 121.20 122.25 2bxx s ILE 158 Ca 0.53 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 60.59 2bxx s ILE 158 Cb -0.23 -0.88 -0.08 0.00 0.01 0.00 0.00 42.46 41.29 2bxx s ILE 158 CO 0.22 0.31 1.22 -2.16 0.00 0.00 0.00 174.94 174.52 2bxx s PRO 159 N 0.78 3.80 0.00 2.79 0.04 -1.26 -4.85 135.00 136.30 2bxx s PRO 159 Ca -0.13 1.92 0.13 0.00 0.04 0.00 0.00 61.00 62.97 2bxx s PRO 159 Cb -0.15 -2.52 0.80 0.00 0.04 0.00 0.00 34.50 32.66 2bxx s PRO 159 CO 0.02 -0.56 1.22 1.28 0.04 0.00 0.00 177.00 179.00