#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 2.02 -0.37 1.57 -2.45 -1.26 -5.07 119.30 113.74 2bxx s MET 28 Ca 0.00 -1.65 -0.28 0.00 -1.25 0.00 0.00 55.69 52.52 2bxx s MET 28 Cb 0.00 -3.35 -0.03 0.00 1.25 0.00 0.00 34.83 32.70 2bxx s MET 28 CO 0.00 -0.89 2.00 -1.12 1.05 0.00 0.00 175.02 176.06 2bxx s SER 29 N 1.42 5.47 0.00 1.11 0.01 -1.26 -4.82 113.70 115.63 2bxx s SER 29 Ca 0.04 1.26 0.27 0.00 1.31 0.00 0.00 55.95 58.82 2bxx s SER 29 Cb -0.21 -2.52 1.56 0.00 0.21 0.00 0.00 66.02 65.06 2bxx s SER 29 CO -0.04 -2.05 2.01 -1.54 0.41 0.00 0.00 173.24 172.03 2bxx n SER 30 N 11.85 0.07 -4.70 2.44 3.41 -1.26 -4.91 113.62 120.51 2bxx n SER 30 Ca 0.26 -1.19 -0.56 0.00 -0.26 0.00 0.00 58.87 57.12 2bxx n SER 30 Cb 0.48 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 2bxx n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bxx n GLY 31 N 0.93 0.96 3.73 5.00 0.00 -1.26 -4.81 105.19 109.74 2bxx n GLY 31 Ca 0.20 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.14 2bxx n GLY 31 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bxx n ASN 32 N 5.69 0.00 0.00 1.61 2.04 -1.26 -4.95 115.26 118.39 2bxx n ASN 32 Ca 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.40 2bxx n ASN 32 Cb 0.16 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.41 2bxx n ASN 32 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2bxx n ALA 33 N 4.29 0.00 -1.77 -2.53 0.00 -1.25 -4.79 120.51 114.46 2bxx n ALA 33 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2bxx n ALA 33 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bxx n ALA 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bxx s SER 34 N 0.00 6.32 0.54 0.00 0.15 -1.26 -1.22 113.70 118.23 2bxx s SER 34 Ca 0.00 2.77 0.28 0.00 0.70 0.00 0.00 55.95 59.70 2bxx s SER 34 Cb 0.00 -2.65 1.56 0.00 -1.71 0.00 0.00 66.02 63.22 2bxx s SER 34 CO 0.00 -0.85 2.12 -0.50 1.20 0.00 0.00 173.24 175.21 2bxx h TRP 35 N 2.79 0.00 -2.83 3.44 4.06 -1.91 -3.42 115.95 118.08 2bxx h TRP 35 Ca -0.50 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 59.85 2bxx h TRP 35 Cb 1.24 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 29.29 2bxx h TRP 35 CO 0.53 0.09 -0.66 -0.06 -3.56 0.00 0.00 178.44 174.77 2bxx s PHE 36 N -4.28 2.81 0.97 0.49 0.40 -1.26 -0.02 117.98 117.08 2bxx s PHE 36 Ca -0.03 -0.15 -0.11 0.00 -0.60 0.00 0.00 56.93 56.03 2bxx s PHE 36 Cb 0.13 -1.35 0.14 0.00 0.51 0.00 0.00 43.02 42.46 2bxx s PHE 36 CO 0.57 0.53 0.93 0.00 0.70 0.00 0.00 175.22 177.95 2bxx n GLN 37 N -0.17 -0.75 -2.47 0.44 10.64 -0.69 -4.77 117.38 119.60 2bxx n GLN 37 Ca -0.10 -0.17 -0.31 0.00 -1.83 0.00 0.00 57.00 54.60 2bxx n GLN 37 Cb 0.55 -2.21 -0.02 0.00 -0.86 0.00 0.00 30.24 27.70 2bxx n GLN 37 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2bxx s ALA 38 N -2.54 3.21 0.13 2.61 0.00 -1.26 -4.73 121.76 119.17 2bxx s ALA 38 Ca 0.65 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 2bxx s ALA 38 Cb -0.23 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 2bxx s ALA 38 CO 0.61 -0.27 0.39 0.96 0.00 0.00 0.00 175.76 177.46 2bxx s ILE 39 N -2.67 5.13 -0.04 0.00 -4.36 -0.88 -4.66 121.20 113.72 2bxx s ILE 39 Ca 0.54 0.17 0.05 0.00 -0.26 0.00 0.00 60.65 61.16 2bxx s ILE 39 Cb -0.10 -3.62 -0.01 0.00 1.25 0.00 0.00 42.46 39.97 2bxx s ILE 39 CO 0.37 0.09 -0.20 -0.54 0.24 0.00 0.00 174.94 174.91 2bxx s LYS 40 N -2.47 1.89 0.36 0.37 1.02 0.20 -1.49 119.74 119.62 2bxx s LYS 40 Ca 0.39 -0.71 -0.28 0.00 0.02 0.00 0.00 55.97 55.40 2bxx s LYS 40 Cb -0.12 -1.69 -0.10 0.00 -0.52 0.00 0.00 37.83 35.40 2bxx s LYS 40 CO 0.22 0.34 1.36 0.00 -0.92 0.00 0.00 175.35 176.35 2bxx s ALA 41 N -0.18 3.45 0.06 5.17 0.00 0.07 -0.71 121.76 129.63 2bxx s ALA 41 Ca 0.00 1.35 0.15 0.00 0.00 0.00 0.00 51.96 53.47 2bxx s ALA 41 Cb -0.11 -3.52 0.34 0.00 0.00 0.00 0.00 23.12 19.83 2bxx s ALA 41 CO 0.01 -0.82 1.57 0.87 0.00 0.00 0.00 175.76 177.40 2bxx h LYS 42 N 3.08 0.00 -3.85 0.00 1.57 -1.27 -3.43 116.57 112.67 2bxx h LYS 42 Ca -0.50 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.18 2bxx h LYS 42 Cb 1.24 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.43 2bxx h LYS 42 CO 0.64 0.51 -0.28 -1.59 -0.57 0.00 0.00 179.45 178.16 2bxx s LYS 43 N -3.28 1.23 0.85 3.15 -2.85 -1.26 -4.98 119.74 112.61 2bxx s LYS 43 Ca 0.01 -1.19 -0.12 0.00 -1.00 0.00 0.00 55.97 53.68 2bxx s LYS 43 Cb 0.10 0.39 0.11 0.00 -2.06 0.00 0.00 37.83 36.37 2bxx s LYS 43 CO 0.73 -0.47 1.17 -0.51 0.10 0.00 0.00 175.35 176.37 2bxx s LEU 44 N -2.98 3.00 -1.10 2.77 1.43 -1.26 -4.00 118.68 116.54 2bxx s LEU 44 Ca 0.19 2.23 -0.01 0.00 -1.03 0.00 0.00 54.13 55.50 2bxx s LEU 44 Cb 0.03 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 2bxx s LEU 44 CO 0.02 -2.79 0.92 -3.20 0.23 0.00 0.00 176.35 171.53 2bxx n ASN 45 N -3.73 -3.10 -4.57 2.29 4.05 -1.26 -5.02 115.26 103.92 2bxx n ASN 45 Ca 0.12 -0.61 -0.34 0.00 0.45 0.00 0.00 54.58 54.21 2bxx n ASN 45 Cb 0.51 -4.89 -0.11 0.00 1.23 0.00 0.00 39.78 36.53 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 -3.35 4.05 0.94 -0.44 2.01 -1.26 -5.11 115.64 112.48 2bxx s THR 46 Ca 0.11 -0.32 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 2bxx s THR 46 Cb -0.01 -2.75 0.15 0.00 0.01 0.00 0.00 72.50 69.91 2bxx s THR 46 CO 0.69 0.53 1.10 -2.84 -0.69 0.00 0.00 174.62 173.41 2bxx s PRO 47 N -0.09 0.89 0.76 4.92 0.02 -1.26 -4.97 135.00 135.27 2bxx s PRO 47 Ca 0.03 1.16 -0.15 0.00 0.02 0.00 0.00 61.00 62.06 2bxx s PRO 47 Cb -0.13 -1.74 0.04 0.00 0.02 0.00 0.00 34.50 32.69 2bxx s PRO 47 CO 0.02 -2.59 1.11 -2.30 -0.33 0.00 0.00 177.00 172.91 2bxx n PRO 48 N -4.17 0.40 -2.10 5.54 -0.02 -1.26 -4.89 135.00 128.50 2bxx n PRO 48 Ca 0.08 0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 2bxx n PRO 48 Cb 0.53 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 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 -3.74 4.34 -0.04 0.52 0.04 -1.26 -5.03 135.00 129.83 2bxx s PRO 49 Ca 0.74 2.22 -0.02 0.00 0.04 0.00 0.00 61.00 63.98 2bxx s PRO 49 Cb -0.32 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 2bxx s PRO 49 CO 0.50 -0.24 0.10 0.15 0.04 0.00 0.00 177.00 177.54 2bxx s LYS 50 N -1.34 3.19 -0.09 4.56 1.02 -1.26 -4.98 119.74 120.84 2bxx s LYS 50 Ca 0.52 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 56.16 2bxx s LYS 50 Cb -0.40 -2.95 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2bxx s LYS 50 CO 0.49 0.69 -0.20 -0.06 -0.92 0.00 0.00 175.35 175.35 2bxx s PHE 51 N -1.14 2.62 0.16 3.18 0.40 -1.26 -0.30 117.98 121.65 2bxx s PHE 51 Ca 0.21 -0.72 -0.14 0.00 -0.60 0.00 0.00 56.93 55.68 2bxx s PHE 51 Cb -0.12 -1.71 0.05 0.00 0.51 0.00 0.00 43.02 41.75 2bxx s PHE 51 CO 0.11 -0.22 1.79 1.49 0.70 0.00 0.00 175.22 179.09 2bxx h GLU 52 N 6.36 0.70 0.00 0.44 4.81 -1.36 -3.45 114.58 122.08 2bxx h GLU 52 Ca -0.28 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2bxx h GLU 52 Cb 1.20 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2bxx h GLU 52 CO 0.50 0.53 0.00 0.41 -0.73 0.00 0.00 179.01 179.72 2bxx n GLY 53 N -1.08 2.30 0.33 1.92 0.00 -1.23 -4.94 105.19 102.49 2bxx n GLY 53 Ca 0.02 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 1.09 0.00 1.61 4.64 -1.84 -3.47 113.55 115.58 2bxx h SER 54 Ca 0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2bxx h SER 54 Cb 0.00 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 61.80 2bxx h SER 54 CO 0.00 1.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.60 2bxx n GLY 55 N -0.70 0.74 3.67 -0.77 0.00 -1.26 -3.73 105.19 103.14 2bxx n GLY 55 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2bxx n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bxx s VAL 56 N -2.62 5.21 0.58 1.61 0.11 -1.26 -4.94 120.40 119.09 2bxx s VAL 56 Ca 0.00 0.68 -0.20 0.00 -2.93 0.00 0.00 61.98 59.53 2bxx s VAL 56 Cb 0.00 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2bxx s VAL 56 CO 0.00 0.26 1.23 -2.65 -3.33 0.00 0.00 175.10 170.61 2bxx n PRO 57 N 4.44 1.31 -1.65 1.54 -0.02 -1.26 -4.91 135.00 134.44 2bxx n PRO 57 Ca -0.09 0.50 -0.47 0.00 -2.02 0.00 0.00 63.50 61.42 2bxx n PRO 57 Cb 0.51 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 2bxx n PRO 57 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2bxx n ASP 58 N -1.15 2.78 -3.65 2.55 10.43 0.06 -4.99 116.55 122.57 2bxx n ASP 58 Ca 0.13 1.10 -0.03 0.00 2.57 0.00 0.00 54.79 58.55 2bxx n ASP 58 Cb 0.46 -1.38 -0.05 0.00 1.84 0.00 0.00 41.12 41.98 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 0.74 -1.04 0.34 -2.24 3.84 -1.26 -4.81 114.94 110.51 2bxx s ASN 59 Ca 0.78 1.52 0.22 0.00 0.21 0.00 0.00 52.86 55.59 2bxx s ASN 59 Cb -0.72 1.98 0.20 0.00 -0.55 0.00 0.00 41.25 42.16 2bxx s ASN 59 CO 0.41 -0.23 1.41 -0.33 -2.79 0.00 0.00 177.10 175.58 2bxx h GLU 60 N 7.72 0.00 -1.06 0.43 4.39 -2.03 -3.31 114.58 120.72 2bxx h GLU 60 Ca -0.22 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.97 2bxx h GLU 60 Cb 1.14 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.53 2bxx h GLU 60 CO 0.12 0.07 0.66 -1.71 -1.16 0.00 0.00 179.01 176.99 2bxx n ASN 61 N -2.99 5.47 -3.80 1.42 5.15 -1.26 -4.80 115.26 114.45 2bxx n ASN 61 Ca 0.02 -3.50 -0.19 0.00 -0.60 0.00 0.00 54.58 50.32 2bxx n ASN 61 Cb 0.57 -0.89 -0.17 0.00 -0.53 0.00 0.00 39.78 38.76 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 -3.50 0.21 0.61 -1.44 -1.09 -1.25 -5.12 121.20 109.62 2bxx s ILE 62 Ca 0.53 0.11 -0.17 0.00 -2.23 0.00 0.00 60.65 58.89 2bxx s ILE 62 Cb 0.43 -0.33 -0.02 0.00 -1.58 0.00 0.00 42.46 40.96 2bxx s ILE 62 CO 0.04 0.17 1.12 -0.54 -1.23 0.00 0.00 174.94 174.51 2bxx s LYS 63 N 1.28 3.01 0.29 2.79 -0.14 -1.26 -4.92 119.74 120.79 2bxx s LYS 63 Ca -0.06 1.50 -0.01 0.00 -1.36 0.00 0.00 55.97 56.04 2bxx s LYS 63 Cb -0.13 -1.97 0.47 0.00 -1.68 0.00 0.00 37.83 34.52 2bxx s LYS 63 CO -0.02 -1.10 1.91 -1.35 -0.76 0.00 0.00 175.35 174.02 2bxx h PRO 64 N 0.51 1.07 0.00 -1.68 0.11 -1.97 0.16 132.00 130.21 2bxx h PRO 64 Ca -0.48 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 2bxx h PRO 64 Cb 1.26 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2bxx h PRO 64 CO 0.55 0.71 -0.01 0.66 -0.21 0.00 0.00 178.00 179.70 2bxx h SER 65 N 1.10 0.00 -0.29 -2.05 4.64 -1.92 -2.39 113.55 112.64 2bxx h SER 65 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2bxx h SER 65 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2bxx h SER 65 CO -0.14 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.83 2bxx n GLN 66 N -3.14 2.24 -2.10 4.77 6.02 0.56 -0.99 117.38 124.73 2bxx n GLN 66 Ca -0.02 -1.87 -0.42 0.00 -0.01 0.00 0.00 57.00 54.68 2bxx n GLN 66 Cb 0.16 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 1.10 3.01 -3.59 -1.09 1.13 -0.90 -4.84 117.38 112.20 2bxx n GLN 67 Ca 0.18 -2.91 -0.15 0.00 -1.94 0.00 0.00 57.00 52.18 2bxx n GLN 67 Cb 0.51 -3.37 -0.06 0.00 0.11 0.00 0.00 30.24 27.44 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 3.55 -0.47 -0.69 1.08 -3.43 -1.26 -1.15 115.29 112.93 2bxx s HIS 68 Ca 0.50 0.69 0.00 0.00 -0.80 0.00 0.00 55.06 55.45 2bxx s HIS 68 Cb 0.10 0.32 0.00 0.00 -1.43 0.00 0.00 32.58 31.57 2bxx s HIS 68 CO -0.02 -0.58 0.00 0.41 -2.00 0.00 0.00 174.74 172.55 2bxx n GLY 69 N 0.78 -0.65 3.08 -1.38 0.00 -0.49 -2.90 105.19 103.62 2bxx n GLY 69 Ca -0.19 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.46 0.46 -0.17 1.61 -0.85 0.32 -1.39 117.35 113.88 2bxx s TYR 70 Ca 0.00 -0.96 -0.06 0.00 -0.52 0.00 0.00 57.07 55.53 2bxx s TYR 70 Cb 0.00 -0.35 -0.03 0.00 0.38 0.00 0.00 41.96 41.96 2bxx s TYR 70 CO 0.00 -0.35 0.02 -1.58 -1.52 0.00 0.00 175.55 172.12 2bxx s TRP 71 N -3.50 3.16 -0.14 -3.49 0.52 0.67 -1.49 118.94 114.68 2bxx s TRP 71 Ca 0.03 -0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.10 2bxx s TRP 71 Cb 0.05 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 2bxx s TRP 71 CO -0.08 0.10 -0.16 0.50 0.02 0.00 0.00 176.95 177.33 2bxx s ARG 72 N 0.28 3.24 0.37 4.98 3.52 0.15 -1.00 118.95 130.49 2bxx s ARG 72 Ca 0.01 -0.75 -0.27 0.00 -0.13 0.00 0.00 55.73 54.58 2bxx s ARG 72 Cb -0.13 -2.56 -0.09 0.00 -1.56 0.00 0.00 34.95 30.61 2bxx s ARG 72 CO 0.01 0.12 1.27 0.50 -0.81 0.00 0.00 175.30 176.39 2bxx s ARG 73 N 0.56 4.15 -0.17 5.12 3.52 0.31 -1.27 118.95 131.17 2bxx s ARG 73 Ca -0.10 2.10 -0.02 0.00 -0.13 0.00 0.00 55.73 57.58 2bxx s ARG 73 Cb -0.16 -2.87 0.05 0.00 -1.56 0.00 0.00 34.95 30.41 2bxx s ARG 73 CO 0.04 -0.32 0.03 -1.14 -0.81 0.00 0.00 175.30 173.09 2bxx s GLN 74 N -2.06 0.67 0.18 5.12 2.00 0.23 -4.94 119.66 120.87 2bxx s GLN 74 Ca 0.54 -0.33 -0.31 0.00 -2.00 0.00 0.00 55.36 53.26 2bxx s GLN 74 Cb -0.37 -1.91 -0.09 0.00 0.80 0.00 0.00 33.01 31.44 2bxx s GLN 74 CO 0.48 -0.57 1.45 0.00 -0.50 0.00 0.00 175.29 176.15 2bxx s ALA 75 N 1.87 3.66 0.13 1.58 0.00 -1.26 -1.63 121.76 126.11 2bxx s ALA 75 Ca 0.00 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.30 2bxx s ALA 75 Cb -0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2bxx s ALA 75 CO -0.07 -0.70 -0.04 1.03 0.00 0.00 0.00 175.76 175.98 2bxx s ARG 76 N 0.49 2.33 0.06 0.00 0.52 -1.25 -4.94 118.95 116.16 2bxx s ARG 76 Ca 0.64 -1.03 -0.05 0.00 -0.52 0.00 0.00 55.73 54.77 2bxx s ARG 76 Cb -0.41 -2.37 -0.02 0.00 0.52 0.00 0.00 34.95 32.67 2bxx s ARG 76 CO 0.36 0.49 0.07 -0.06 0.02 0.00 0.00 175.30 176.18 2bxx s PHE 77 N -1.48 0.33 0.01 -0.53 0.40 -1.26 -0.28 117.98 115.17 2bxx s PHE 77 Ca 0.25 -0.79 -0.10 0.00 -0.60 0.00 0.00 56.93 55.69 2bxx s PHE 77 Cb -0.10 -0.22 0.01 0.00 0.51 0.00 0.00 43.02 43.21 2bxx s PHE 77 CO 0.17 -0.44 0.19 -1.59 0.70 0.00 0.00 175.22 174.26 2bxx s LYS 78 N -3.66 0.60 0.44 0.44 0.00 -0.68 -4.88 119.74 112.01 2bxx s LYS 78 Ca 0.04 -0.44 -0.24 0.00 0.00 0.00 0.00 55.97 55.32 2bxx s LYS 78 Cb 0.05 0.25 -0.09 0.00 0.00 0.00 0.00 37.83 38.04 2bxx s LYS 78 CO -0.09 -0.16 1.19 -0.35 0.00 0.00 0.00 175.35 175.94 2bxx n PRO 79 N 1.14 1.70 -0.90 1.78 -0.04 -1.26 -0.38 135.00 137.04 2bxx n PRO 79 Ca -0.21 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2bxx n PRO 79 Cb 0.57 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 2bxx n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bxx n GLY 80 N 0.93 2.00 3.70 0.55 0.00 -1.09 -4.73 105.19 106.54 2bxx n GLY 80 Ca 0.08 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 2bxx n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bxx s LYS 81 N -1.44 4.42 0.00 1.61 -0.14 -1.26 -3.46 119.74 119.47 2bxx s LYS 81 Ca 0.00 1.59 0.00 0.00 -1.36 0.00 0.00 55.97 56.20 2bxx s LYS 81 Cb 0.00 -3.49 0.00 0.00 -1.68 0.00 0.00 37.83 32.66 2bxx s LYS 81 CO 0.00 -0.30 0.00 0.41 -0.76 0.00 0.00 175.35 174.70 2bxx n GLY 82 N 3.18 0.83 0.00 -3.33 0.00 -1.26 -4.90 105.19 99.71 2bxx n GLY 82 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.08 0.98 3.73 -0.02 0.00 -1.22 -5.09 105.19 101.48 2bxx n GLY 83 Ca 0.00 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.52 4.59 -0.14 1.61 0.52 -1.26 -2.67 118.95 120.07 2bxx s ARG 84 Ca 0.00 1.66 -0.11 0.00 -0.52 0.00 0.00 55.73 56.76 2bxx s ARG 84 Cb 0.00 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 2bxx s ARG 84 CO 0.00 0.04 0.22 0.00 0.02 0.00 0.00 175.30 175.58 2bxx n PRO 86 N 2.85 1.39 -4.38 0.00 -0.04 -1.26 -1.68 135.00 131.87 2bxx n PRO 86 Ca -0.16 0.51 -0.23 0.00 -0.04 0.00 0.00 63.50 63.59 2bxx n PRO 86 Cb 0.53 -2.34 -0.13 0.00 -0.04 0.00 0.00 33.50 31.52 2bxx n PRO 86 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bxx s VAL 87 N -1.35 1.49 0.44 0.52 1.01 0.61 -4.82 120.40 118.29 2bxx s VAL 87 Ca 0.71 -1.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 2bxx s VAL 87 Cb -0.45 -1.34 -0.11 0.00 0.00 0.00 0.00 36.38 34.48 2bxx s VAL 87 CO 0.50 -0.00 0.84 -2.65 0.00 0.00 0.00 175.10 173.79 2bxx n PRO 88 N 1.48 1.01 -1.44 2.72 -0.02 -1.26 -3.84 135.00 133.65 2bxx n PRO 88 Ca -0.19 0.37 -0.36 0.00 -2.02 0.00 0.00 63.50 61.30 2bxx n PRO 88 Cb 0.54 -1.86 0.07 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.65 0.44 -4.50 2.55 8.00 -1.26 -4.49 116.55 117.93 2bxx n ASP 89 Ca 0.11 0.70 -0.30 0.00 0.71 0.00 0.00 54.79 56.01 2bxx n ASP 89 Cb 0.40 -1.39 -0.11 0.00 -0.02 0.00 0.00 41.12 40.00 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 -1.72 2.73 -0.02 2.24 0.00 -0.65 -0.75 121.76 123.59 2bxx s ALA 90 Ca 0.74 -1.29 0.05 0.00 0.00 0.00 0.00 51.96 51.46 2bxx s ALA 90 Cb -0.37 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 2bxx s ALA 90 CO 0.49 0.60 -0.18 -1.58 0.00 0.00 0.00 175.76 175.09 2bxx s TRP 91 N -1.12 1.70 0.05 0.00 0.52 -0.56 0.76 118.94 120.31 2bxx s TRP 91 Ca 0.18 -0.38 0.09 0.00 0.02 0.00 0.00 56.10 56.01 2bxx s TRP 91 Cb -0.11 -1.11 -0.03 0.00 -1.15 0.00 0.00 33.47 31.07 2bxx s TRP 91 CO 0.10 -0.08 -0.26 0.71 0.02 0.00 0.00 176.95 177.45 2bxx s TYR 92 N -0.28 2.26 -0.09 -1.98 1.51 -0.40 -2.08 117.35 116.29 2bxx s TYR 92 Ca 0.03 -0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 55.59 2bxx s TYR 92 Cb -0.09 -1.34 -0.05 0.00 -0.11 0.00 0.00 41.96 40.37 2bxx s TYR 92 CO 0.00 0.14 0.23 0.12 -1.11 0.00 0.00 175.55 174.93 2bxx s PHE 93 N -0.82 3.62 -0.00 2.71 5.36 -1.26 -0.68 117.98 126.91 2bxx s PHE 93 Ca 0.11 0.67 0.02 0.00 -0.96 0.00 0.00 56.93 56.77 2bxx s PHE 93 Cb -0.10 -2.09 -0.01 0.00 -0.34 0.00 0.00 43.02 40.49 2bxx s PHE 93 CO 0.02 0.65 -0.06 0.71 -1.46 0.00 0.00 175.22 175.08 2bxx s TYR 94 N -0.85 0.51 0.49 10.12 1.51 -0.56 -4.41 117.35 124.16 2bxx s TYR 94 Ca 0.17 -0.12 -0.22 0.00 -1.01 0.00 0.00 57.07 55.90 2bxx s TYR 94 Cb -0.13 -0.33 -0.07 0.00 -0.11 0.00 0.00 41.96 41.32 2bxx s TYR 94 CO 0.07 -0.01 1.16 0.71 -1.11 0.00 0.00 175.55 176.36 2bxx s TYR 95 N -0.21 2.79 0.27 2.71 1.51 -1.26 -0.52 117.35 122.63 2bxx s TYR 95 Ca 0.01 1.54 -0.30 0.00 -1.01 0.00 0.00 57.07 57.31 2bxx s TYR 95 Cb -0.03 -3.35 -0.14 0.00 -0.11 0.00 0.00 41.96 38.33 2bxx s TYR 95 CO -0.00 -1.56 1.20 2.41 -1.11 0.00 0.00 175.55 176.49 2bxx n THR 96 N -0.80 1.55 -0.63 -0.71 -1.04 -1.14 -1.73 114.28 109.78 2bxx n THR 96 Ca 0.09 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 2bxx n THR 96 Cb 0.49 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 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 1.49 0.81 3.49 3.41 0.00 -1.26 -4.83 105.19 108.30 2bxx n GLY 97 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.18 1.78 0.00 2.61 -4.23 -0.70 -4.71 115.64 107.20 2bxx s THR 98 Ca 0.00 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 2bxx s THR 98 Cb 0.00 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2bxx s THR 98 CO 0.00 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 2bxx n GLY 99 N -0.72 -2.04 0.45 3.99 0.00 -1.26 -3.19 105.19 102.41 2bxx n GLY 99 Ca -0.05 -1.41 0.26 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.82 1.61 0.11 -1.99 -0.20 132.00 130.71 2bxx h PRO 100 Ca 0.00 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.53 2bxx h PRO 100 Cb 0.02 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 30.77 2bxx h PRO 100 CO 0.00 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 177.65 2bxx n ALA 101 N -2.67 5.48 0.10 -0.75 0.00 -1.26 -4.74 120.51 116.66 2bxx n ALA 101 Ca 0.16 -3.63 0.15 0.00 0.00 0.00 0.00 53.44 50.12 2bxx n ALA 101 Cb 0.88 -0.89 0.66 0.00 0.00 0.00 0.00 19.45 20.10 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 2.04 2.28 0.00 0.00 0.00 -0.98 -2.60 119.26 120.00 2bxx h ALA 102 Ca 0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 2bxx h ALA 102 Cb 1.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2bxx h ALA 102 CO 1.05 -0.37 -0.48 -0.44 0.00 0.00 0.00 179.25 179.01 2bxx h ASP 103 N 0.02 0.00 -4.04 0.00 3.32 -1.85 -3.36 116.42 110.51 2bxx h ASP 103 Ca 0.15 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.72 2bxx h ASP 103 Cb 0.59 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.17 2bxx h ASP 103 CO -0.01 0.48 0.41 -0.76 -1.72 0.00 0.00 179.24 177.64 2bxx s LEU 104 N -7.71 3.93 0.42 1.55 1.43 -0.98 -5.06 118.68 112.26 2bxx s LEU 104 Ca -0.02 2.02 -0.05 0.00 -1.03 0.00 0.00 54.13 55.05 2bxx s LEU 104 Cb 0.13 -4.44 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 2bxx s LEU 104 CO 0.73 -0.76 0.71 0.20 0.23 0.00 0.00 176.35 177.46 2bxx s ASN 105 N -1.79 6.32 0.07 2.29 0.01 -1.26 -4.49 114.94 116.10 2bxx s ASN 105 Ca 0.65 0.84 -0.32 0.00 -0.71 0.00 0.00 52.86 53.32 2bxx s ASN 105 Cb -0.20 -2.21 -0.11 0.00 0.41 0.00 0.00 41.25 39.15 2bxx s ASN 105 CO 0.24 -0.46 1.83 1.87 -1.51 0.00 0.00 177.10 179.07 2bxx n TRP 106 N -1.89 2.50 0.00 2.20 -0.00 -1.26 -1.60 117.44 117.39 2bxx n TRP 106 Ca -0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 57.50 57.40 2bxx n TRP 106 Cb 0.55 -2.70 0.00 0.00 -0.00 0.00 0.00 31.31 29.16 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 4.20 0.84 3.70 5.87 0.00 -1.26 -5.05 105.19 113.49 2bxx n GLY 107 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 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 3.10 -4.71 1.61 8.00 -0.62 -4.92 116.55 119.02 2bxx n ASP 108 Ca 0.00 1.15 -0.42 0.00 0.71 0.00 0.00 54.79 56.23 2bxx n ASP 108 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 39.58 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 -0.17 3.03 -0.28 -3.53 2.01 -1.26 -5.00 115.64 110.44 2bxx s THR 109 Ca 0.65 0.66 -0.22 0.00 0.31 0.00 0.00 61.69 63.09 2bxx s THR 109 Cb -0.59 -3.42 0.13 0.00 0.01 0.00 0.00 72.50 68.62 2bxx s THR 109 CO 0.51 0.03 0.99 -1.58 -0.69 0.00 0.00 174.62 173.89 2bxx s GLN 110 N 1.65 0.49 0.17 4.92 0.74 -1.26 -5.14 119.66 121.22 2bxx s GLN 110 Ca 0.69 0.65 -0.31 0.00 0.05 0.00 0.00 55.36 56.44 2bxx s GLN 110 Cb -0.39 0.20 -0.09 0.00 1.10 0.00 0.00 33.01 33.82 2bxx s GLN 110 CO 0.31 -0.07 1.44 -0.51 -0.55 0.00 0.00 175.29 175.91 2bxx s ASP 111 N 0.61 6.73 0.00 6.67 1.01 -1.26 -3.25 116.67 127.17 2bxx s ASP 111 Ca -0.01 2.49 0.00 0.00 0.71 0.00 0.00 52.55 55.74 2bxx s ASP 111 Cb -0.05 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2bxx s ASP 111 CO -0.09 -0.70 0.00 0.61 0.21 0.00 0.00 175.17 175.20 2bxx n GLY 112 N 3.13 0.58 2.95 0.21 0.00 -1.26 -4.97 105.19 105.84 2bxx n GLY 112 Ca 0.10 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 0.93 -0.18 -0.61 1.01 -1.20 -0.53 121.20 118.63 2bxx s ILE 113 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 2bxx s ILE 113 Cb 0.00 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2bxx s ILE 113 CO 0.00 0.32 -0.15 -0.69 0.00 0.00 0.00 174.94 174.42 2bxx s VAL 114 N 1.02 2.58 0.04 2.92 1.01 -0.17 -4.84 120.40 122.96 2bxx s VAL 114 Ca -0.08 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 2bxx s VAL 114 Cb -0.15 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 2bxx s VAL 114 CO -0.00 0.51 0.65 0.26 0.00 0.00 0.00 175.10 176.51 2bxx s TRP 115 N 1.13 3.74 -0.01 5.22 0.52 -1.26 -0.24 118.94 128.04 2bxx s TRP 115 Ca 0.01 1.32 0.03 0.00 0.02 0.00 0.00 56.10 57.48 2bxx s TRP 115 Cb -0.14 -2.65 -0.01 0.00 -1.15 0.00 0.00 33.47 29.52 2bxx s TRP 115 CO -0.05 0.40 -0.11 0.14 0.02 0.00 0.00 176.95 177.35 2bxx s VAL 116 N -0.45 0.84 -0.14 4.03 -7.23 -0.49 -4.98 120.40 111.98 2bxx s VAL 116 Ca 0.33 -0.45 -0.12 0.00 -1.81 0.00 0.00 61.98 59.93 2bxx s VAL 116 Cb -0.19 -0.70 0.04 0.00 0.56 0.00 0.00 36.38 36.08 2bxx s VAL 116 CO 0.20 0.24 0.37 0.00 -0.31 0.00 0.00 175.10 175.59 2bxx s ALA 117 N -0.24 -0.91 0.74 1.32 0.00 -1.24 -1.40 121.76 120.02 2bxx s ALA 117 Ca 0.04 1.12 -0.09 0.00 0.00 0.00 0.00 51.96 53.03 2bxx s ALA 117 Cb -0.04 -0.66 0.07 0.00 0.00 0.00 0.00 23.12 22.48 2bxx s ALA 117 CO -0.00 -0.19 1.08 0.00 0.00 0.00 0.00 175.76 176.64 2bxx s ALA 118 N 0.48 2.96 0.25 0.00 0.00 -0.30 -4.70 121.76 120.45 2bxx s ALA 118 Ca -0.02 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 50.83 2bxx s ALA 118 Cb -0.04 -2.75 -0.12 0.00 0.00 0.00 0.00 23.12 20.21 2bxx s ALA 118 CO -0.02 -1.43 1.67 1.17 0.00 0.00 0.00 175.76 177.15 2bxx n LYS 119 N -3.07 2.74 -1.00 0.00 4.81 -1.26 -2.52 118.16 117.86 2bxx n LYS 119 Ca 0.08 0.98 -0.00 0.00 -0.87 0.00 0.00 58.31 58.50 2bxx n LYS 119 Cb 0.60 -2.80 -0.00 0.00 0.02 0.00 0.00 35.03 32.85 2bxx n LYS 119 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bxx n GLY 120 N 3.16 0.43 3.78 3.14 0.00 -1.26 -4.92 105.19 109.52 2bxx n GLY 120 Ca 0.13 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 3.12 -0.47 4.61 0.00 -1.05 -3.93 121.76 122.04 2bxx s ALA 121 Ca 0.00 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.64 2bxx s ALA 121 Cb 0.00 -3.25 0.12 0.00 0.00 0.00 0.00 23.12 19.99 2bxx s ALA 121 CO 0.00 -0.13 0.23 0.34 0.00 0.00 0.00 175.76 176.20 2bxx s ASP 122 N -1.57 4.79 0.00 0.00 3.68 -0.16 -4.98 116.67 118.43 2bxx s ASP 122 Ca 0.56 -2.58 0.08 0.00 2.13 0.00 0.00 52.55 52.74 2bxx s ASP 122 Cb -0.21 -1.71 0.40 0.00 -1.45 0.00 0.00 42.92 39.94 2bxx s ASP 122 CO 0.27 -0.35 1.19 0.35 0.13 0.00 0.00 175.17 176.75 2bxx n THR 123 N 3.75 1.05 0.09 1.71 -2.24 -1.26 -0.34 114.28 117.04 2bxx n THR 123 Ca 0.04 0.26 -0.02 0.00 -2.27 0.00 0.00 64.05 62.07 2bxx n THR 123 Cb 0.38 -1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 67.43 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 -7.22 -0.78 1.57 -1.93 -3.43 116.57 104.77 2bxx h LYS 124 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2bxx h LYS 124 Cb 0.10 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.54 2bxx h LYS 124 CO 0.00 0.64 0.36 -1.54 -0.57 0.00 0.00 179.45 178.33 2bxx s SER 125 N -6.42 4.63 -0.04 0.86 1.04 0.54 -5.06 113.70 109.25 2bxx s SER 125 Ca 0.01 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.51 2bxx s SER 125 Cb 0.09 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.68 2bxx s SER 125 CO 0.79 -1.96 -0.01 -0.13 0.98 0.00 0.00 173.24 172.91 2bxx s ARG 126 N -4.24 0.45 0.41 4.02 1.81 -1.26 -4.94 118.95 115.19 2bxx s ARG 126 Ca 0.67 0.03 0.22 0.00 -1.72 0.00 0.00 55.73 54.94 2bxx s ARG 126 Cb -0.22 -0.60 0.39 0.00 -0.45 0.00 0.00 34.95 34.07 2bxx s ARG 126 CO 0.46 -0.13 1.61 0.66 -0.68 0.00 0.00 175.30 177.22 2bxx h SER 127 N 7.30 0.00 -4.05 0.23 4.64 -1.89 -3.48 113.55 116.31 2bxx h SER 127 Ca -0.40 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.54 2bxx h SER 127 Cb 1.14 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.28 2bxx h SER 127 CO 0.46 0.13 -0.57 0.59 -0.87 0.00 0.00 176.83 176.57 2bxx n ASN 128 N -3.14 -5.89 -0.00 4.97 5.03 -1.26 -4.89 115.26 110.07 2bxx n ASN 128 Ca 0.03 -0.24 0.10 0.00 0.87 0.00 0.00 54.58 55.34 2bxx n ASN 128 Cb 0.56 -4.74 -0.12 0.00 -1.02 0.00 0.00 39.78 34.45 2bxx n ASN 128 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2bxx n GLN 129 N -3.73 0.34 0.00 3.52 6.02 -1.26 -5.06 117.38 117.21 2bxx n GLN 129 Ca -0.13 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 2bxx n GLN 129 Cb 0.62 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.42 2bxx n GLN 129 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bxx n GLY 130 N 1.45 2.11 3.78 1.08 0.00 -1.26 -4.87 105.19 107.48 2bxx n GLY 130 Ca 0.03 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 1.55 -0.06 2.61 -4.23 -1.26 -4.89 115.64 109.36 2bxx s THR 131 Ca 0.00 -1.82 -0.14 0.00 -1.18 0.00 0.00 61.69 58.55 2bxx s THR 131 Cb 0.00 -2.37 -0.05 0.00 1.34 0.00 0.00 72.50 71.41 2bxx s THR 131 CO 0.00 0.00 0.35 -0.60 -0.54 0.00 0.00 174.62 173.83 2bxx s ARG 132 N -3.97 3.93 -0.52 3.99 3.52 -0.36 -4.95 118.95 120.60 2bxx s ARG 132 Ca 0.21 0.27 -0.20 0.00 -0.13 0.00 0.00 55.73 55.88 2bxx s ARG 132 Cb 0.02 -3.27 0.06 0.00 -1.56 0.00 0.00 34.95 30.20 2bxx s ARG 132 CO 0.12 0.58 0.68 0.34 -0.81 0.00 0.00 175.30 176.21 2bxx s ASP 133 N -0.65 6.23 0.66 -2.12 3.68 -1.26 -3.84 116.67 119.38 2bxx s ASP 133 Ca 0.21 -0.89 0.44 0.00 2.13 0.00 0.00 52.55 54.44 2bxx s ASP 133 Cb -0.15 -2.31 2.39 0.00 -1.45 0.00 0.00 42.92 41.40 2bxx s ASP 133 CO 0.10 -0.96 2.36 1.55 0.13 0.00 0.00 175.17 178.35 2bxx h PRO 134 N 9.06 0.00 0.00 4.34 0.13 -1.87 0.25 132.00 143.90 2bxx h PRO 134 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2bxx h PRO 134 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2bxx h PRO 134 CO 0.99 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.33 2bxx h ASP 135 N 0.00 0.00 0.00 1.44 3.32 -2.00 -3.38 116.42 115.80 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 0.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2bxx h ASP 135 CO 0.00 0.00 -1.51 0.29 -1.72 0.00 0.00 179.24 176.30 2bxx n LYS 136 N -2.50 0.20 -4.94 3.56 5.02 0.66 -5.05 118.16 115.11 2bxx n LYS 136 Ca 0.04 0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 2bxx n LYS 136 Cb 0.38 -0.94 -0.14 0.00 -0.02 0.00 0.00 35.03 34.31 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 -2.17 2.55 0.49 2.13 0.40 0.02 -5.07 117.98 116.33 2bxx s PHE 137 Ca -0.13 -0.27 -0.10 0.00 -0.60 0.00 0.00 56.93 55.83 2bxx s PHE 137 Cb 0.04 -1.54 -0.05 0.00 0.51 0.00 0.00 43.02 41.98 2bxx s PHE 137 CO 0.17 0.14 0.87 -0.51 0.70 0.00 0.00 175.22 176.60 2bxx s ASP 138 N -0.92 6.41 0.46 1.36 1.01 -1.26 -4.22 116.67 119.51 2bxx s ASP 138 Ca 0.12 1.22 -0.24 0.00 0.71 0.00 0.00 52.55 54.36 2bxx s ASP 138 Cb -0.10 -2.37 -0.07 0.00 1.01 0.00 0.00 42.92 41.39 2bxx s ASP 138 CO 0.02 -0.58 1.29 0.00 0.21 0.00 0.00 175.17 176.10 2bxx s GLN 139 N -4.41 3.66 0.34 8.23 -2.07 -1.26 -5.00 119.66 119.15 2bxx s GLN 139 Ca 0.52 2.09 -0.26 0.00 -1.82 0.00 0.00 55.36 55.89 2bxx s GLN 139 Cb -0.10 -2.51 -0.10 0.00 -1.09 0.00 0.00 33.01 29.21 2bxx s GLN 139 CO 0.40 -0.72 0.98 0.71 -1.32 0.00 0.00 175.29 175.34 2bxx s TYR 140 N -1.35 3.59 0.39 9.60 4.12 0.96 -4.79 117.35 129.87 2bxx s TYR 140 Ca 0.63 1.75 -0.26 0.00 0.02 0.00 0.00 57.07 59.21 2bxx s TYR 140 Cb -0.36 -3.01 -0.09 0.00 -1.52 0.00 0.00 41.96 36.98 2bxx s TYR 140 CO 0.45 -0.05 1.22 -1.25 0.02 0.00 0.00 175.55 175.94 2bxx s PRO 141 N -2.08 4.07 -0.13 -1.71 0.04 -1.26 -1.71 135.00 132.22 2bxx s PRO 141 Ca 0.51 1.98 -0.24 0.00 0.04 0.00 0.00 61.00 63.29 2bxx s PRO 141 Cb -0.21 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 2bxx s PRO 141 CO 0.26 -0.35 0.77 -0.51 0.04 0.00 0.00 177.00 177.21 2bxx s LEU 142 N -2.37 4.23 0.01 -3.56 1.43 -1.26 -4.89 118.68 112.26 2bxx s LEU 142 Ca 0.56 1.16 0.02 0.00 -1.03 0.00 0.00 54.13 54.84 2bxx s LEU 142 Cb -0.34 -3.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 2bxx s LEU 142 CO 0.43 -0.28 -0.07 -0.13 0.23 0.00 0.00 176.35 176.53 2bxx s ARG 143 N 1.61 0.54 -0.37 1.70 1.81 -1.26 -5.03 118.95 117.95 2bxx s ARG 143 Ca 0.37 -0.37 0.01 0.00 -1.72 0.00 0.00 55.73 54.03 2bxx s ARG 143 Cb -0.17 -0.48 0.12 0.00 -0.45 0.00 0.00 34.95 33.96 2bxx s ARG 143 CO 0.15 0.12 0.15 -0.06 -0.68 0.00 0.00 175.30 174.99 2bxx s PHE 144 N -0.44 2.04 0.35 -0.53 0.40 -1.26 -0.76 117.98 117.78 2bxx s PHE 144 Ca -0.00 -2.17 0.14 0.00 -0.60 0.00 0.00 56.93 54.29 2bxx s PHE 144 Cb -0.04 -1.92 0.73 0.00 0.51 0.00 0.00 43.02 42.29 2bxx s PHE 144 CO -0.00 -0.84 1.82 0.77 0.70 0.00 0.00 175.22 177.66 2bxx h SER 145 N 7.45 0.00 -0.61 1.36 0.02 -1.98 -2.96 113.55 116.84 2bxx h SER 145 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2bxx h SER 145 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2bxx h SER 145 CO 0.48 0.38 0.00 -0.90 -1.14 0.00 0.00 176.83 175.65 2bxx n ASP 146 N -4.02 3.48 0.00 3.07 5.75 -1.26 -5.02 116.55 118.55 2bxx n ASP 146 Ca -0.02 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 2bxx n ASP 146 Cb 0.42 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 1.39 -0.15 0.00 6.12 0.00 -1.12 -3.52 105.19 107.91 2bxx n GLY 147 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 1.80 3.78 -0.02 0.00 -1.26 -4.66 105.19 104.82 2bxx n GLY 148 Ca 0.00 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.42 2.68 1.05 1.61 0.04 -1.26 -0.91 135.00 136.79 2bxx s PRO 149 Ca 0.00 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.19 2bxx s PRO 149 Cb 0.00 -1.94 0.22 0.00 0.04 0.00 0.00 34.50 32.81 2bxx s PRO 149 CO 0.00 -1.32 1.07 0.16 0.04 0.00 0.00 177.00 176.94 2bxx s ASP 150 N -2.95 1.97 0.00 6.66 -4.77 0.60 -4.86 116.67 113.32 2bxx s ASP 150 Ca 0.64 1.62 0.04 0.00 -3.30 0.00 0.00 52.55 51.55 2bxx s ASP 150 Cb -0.18 -2.29 0.22 0.00 -1.09 0.00 0.00 42.92 39.57 2bxx s ASP 150 CO 0.47 -3.60 0.85 0.61 0.70 0.00 0.00 175.17 174.20 2bxx n GLY 151 N 0.15 -0.29 0.09 2.12 0.00 -1.26 -1.43 105.19 104.57 2bxx n GLY 151 Ca 0.06 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2bxx n GLY 151 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bxx n ASN 152 N -1.16 0.55 -4.38 1.61 3.02 -1.26 -4.86 115.26 108.78 2bxx n ASN 152 Ca 0.02 0.60 -0.26 0.00 -0.03 0.00 0.00 54.58 54.92 2bxx n ASN 152 Cb 0.02 -0.73 -0.12 0.00 -0.61 0.00 0.00 39.78 38.34 2bxx n ASN 152 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2bxx s PHE 153 N -3.18 2.16 0.17 3.10 0.40 -0.51 -0.73 117.98 119.39 2bxx s PHE 153 Ca 0.07 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.97 2bxx s PHE 153 Cb 0.11 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.51 2bxx s PHE 153 CO 0.44 0.40 0.19 -0.98 0.70 0.00 0.00 175.22 175.97 2bxx s ARG 154 N -2.47 1.13 0.08 0.44 1.70 0.12 -4.90 118.95 115.05 2bxx s ARG 154 Ca 0.17 -1.40 -0.10 0.00 -0.47 0.00 0.00 55.73 53.93 2bxx s ARG 154 Cb -0.08 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.61 2bxx s ARG 154 CO 0.08 -0.38 0.22 1.67 -1.08 0.00 0.00 175.30 175.80 2bxx s TRP 155 N -4.05 0.09 0.46 5.89 -2.14 -1.26 0.62 118.94 118.54 2bxx s TRP 155 Ca 0.26 -0.46 -0.22 0.00 2.66 0.00 0.00 56.10 58.34 2bxx s TRP 155 Cb 0.05 -0.01 -0.08 0.00 -3.10 0.00 0.00 33.47 30.33 2bxx s TRP 155 CO 0.05 -0.54 1.07 -0.51 -2.66 0.00 0.00 176.95 174.35 2bxx s ASP 156 N -2.71 6.40 0.04 -2.66 1.01 -1.26 -4.99 116.67 112.50 2bxx s ASP 156 Ca 0.03 2.04 -0.30 0.00 0.71 0.00 0.00 52.55 55.02 2bxx s ASP 156 Cb 0.03 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 2bxx s ASP 156 CO -0.10 -0.74 1.31 0.12 0.21 0.00 0.00 175.17 175.97 2bxx s PHE 157 N -1.80 3.16 -0.05 4.23 5.36 -1.26 -4.93 117.98 122.69 2bxx s PHE 157 Ca 0.64 1.05 0.02 0.00 -0.96 0.00 0.00 56.93 57.68 2bxx s PHE 157 Cb -0.20 -3.56 0.01 0.00 -0.34 0.00 0.00 43.02 38.93 2bxx s PHE 157 CO 0.25 -1.92 -0.10 0.42 -1.46 0.00 0.00 175.22 172.41 2bxx s ILE 158 N 1.69 0.97 0.50 3.12 1.01 -1.26 -5.14 121.20 122.08 2bxx s ILE 158 Ca 0.61 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.67 2bxx s ILE 158 Cb -0.31 -0.90 -0.08 0.00 0.01 0.00 0.00 42.46 41.19 2bxx s ILE 158 CO 0.27 0.31 1.06 -2.16 0.00 0.00 0.00 174.94 174.43 2bxx s PRO 159 N 0.63 3.70 0.00 2.79 0.04 -1.26 -4.85 135.00 136.04 2bxx s PRO 159 Ca -0.12 1.42 0.12 0.00 0.04 0.00 0.00 61.00 62.47 2bxx s PRO 159 Cb -0.14 -2.08 0.74 0.00 0.04 0.00 0.00 34.50 33.06 2bxx s PRO 159 CO 0.03 -0.52 1.17 1.28 0.04 0.00 0.00 177.00 178.99