#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hob n SER 2175N 3.39 1.85 -4.80 0.00 2.88 -1.24 -4.19 113.62 111.50 3hob n SER 2175Ca 0.76 -2.18 -0.36 0.00 -1.33 0.00 0.00 58.87 55.76 3hob n SER 2175Cb 0.26 -0.46 -0.06 0.00 -0.75 0.00 0.00 64.21 63.20 3hob n SER 2175CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3hob s MET 2176N -3.67 4.37 -0.01 -1.46 1.00 -0.19 -4.57 119.30 114.76 3hob s MET 2176Ca 0.29 1.05 -0.30 0.00 0.00 0.00 0.00 55.69 56.73 3hob s MET 2176Cb 0.33 -2.79 -0.06 0.00 0.00 0.00 0.00 34.83 32.31 3hob s MET 2176CO -0.04 0.31 1.53 -1.25 0.00 0.00 0.00 175.02 175.58 3hob s PRO 2177N -2.12 4.23 0.00 2.03 0.04 -1.26 0.14 135.00 138.05 3hob s PRO 2177Ca 0.47 2.11 0.31 0.00 0.04 0.00 0.00 61.00 63.93 3hob s PRO 2177Cb -0.17 -3.73 1.65 0.00 0.04 0.00 0.00 34.50 32.29 3hob s PRO 2177CO 0.21 -0.71 2.10 1.28 0.04 0.00 0.00 177.00 179.93 3hob n LEU 2178N 6.09 0.06 0.00 -3.56 4.77 0.17 -4.87 117.00 119.67 3hob n LEU 2178Ca 0.15 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3hob n LEU 2178Cb 0.43 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3hob n LEU 2178CO 0.61 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3hob n GLY 2179N 1.17 1.08 0.20 -0.72 0.00 -1.26 -4.41 105.19 101.24 3hob n GLY 2179Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 3hob n GLY 2179CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3hob h MET 2180N 0.00 -0.40 -0.31 1.61 2.86 -1.86 -1.13 114.93 115.70 3hob h MET 2180Ca 0.00 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3hob h MET 2180Cb 0.00 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3hob h MET 2180CO 0.00 -0.06 0.05 1.49 1.06 0.00 0.00 176.91 179.45 3hob h GLU 2181N -0.91 0.52 0.00 1.72 4.81 -1.83 -3.23 114.58 115.66 3hob h GLU 2181Ca -0.04 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3hob h GLU 2181Cb 0.52 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3hob h GLU 2181CO 0.07 0.61 0.00 -1.13 -0.73 0.00 0.00 179.01 177.83 3hob n SER 2182N -4.62 0.64 -0.14 1.04 3.41 -1.25 -4.91 113.62 107.78 3hob n SER 2182Ca -0.02 0.57 -0.02 0.00 -0.26 0.00 0.00 58.87 59.14 3hob n SER 2182Cb 0.21 -0.74 -0.01 0.00 -0.26 0.00 0.00 64.21 63.42 3hob n SER 2182CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hob n LYS 2183N -2.11 -0.22 0.26 4.33 5.02 -0.53 -4.90 118.16 120.00 3hob n LYS 2183Ca 0.05 0.41 0.12 0.00 -2.02 0.00 0.00 58.31 56.88 3hob n LYS 2183Cb 0.38 -3.89 0.71 0.00 -0.02 0.00 0.00 35.03 32.21 3hob n LYS 2183CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hob h ALA 2184N 0.00 1.34 -2.24 7.82 0.00 -1.65 -3.30 119.26 121.23 3hob h ALA 2184Ca -0.04 -0.11 -0.68 0.00 0.00 0.00 0.00 54.91 54.08 3hob h ALA 2184Cb 0.17 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.76 3hob h ALA 2184CO 0.06 0.15 -0.04 0.42 0.00 0.00 0.00 179.25 179.84 3hob s ILE 2185N -4.26 4.96 0.76 0.00 1.01 -0.58 -4.97 121.20 118.11 3hob s ILE 2185Ca -0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 3hob s ILE 2185Cb 0.13 -4.16 0.05 0.00 0.01 0.00 0.00 42.46 38.49 3hob s ILE 2185CO 0.60 -0.58 1.08 -0.94 0.00 0.00 0.00 174.94 175.10 3hob s SER 2186N 2.11 4.82 0.33 3.58 1.04 -1.25 -4.78 113.70 119.56 3hob s SER 2186Ca 0.16 1.47 0.09 0.00 0.48 0.00 0.00 55.95 58.15 3hob s SER 2186Cb -0.17 -2.26 0.84 0.00 0.10 0.00 0.00 66.02 64.53 3hob s SER 2186CO 0.15 -1.78 1.79 0.44 0.98 0.00 0.00 173.24 174.81 3hob h ASP 2187N -0.96 0.69 0.70 7.02 3.45 -1.92 -1.83 116.42 123.57 3hob h ASP 2187Ca -0.46 0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.08 3hob h ASP 2187Cb 1.24 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.98 3hob h ASP 2187CO 0.58 0.24 -0.08 0.00 -1.57 0.00 0.00 179.24 178.41 3hob h ALA 2188N 1.64 1.07 -0.00 3.45 0.00 -2.00 -2.68 119.26 120.74 3hob h ALA 2188Ca 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3hob h ALA 2188Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3hob h ALA 2188CO -0.34 0.09 -0.07 1.04 0.00 0.00 0.00 179.25 179.97 3hob n GLN 2189N -3.28 0.35 -4.01 0.00 6.02 -0.69 -4.72 117.38 111.04 3hob n GLN 2189Ca -0.01 -0.06 -0.34 0.00 -0.01 0.00 0.00 57.00 56.58 3hob n GLN 2189Cb 0.28 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.89 3hob n GLN 2189CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hob s ILE 2190N -2.70 2.67 0.29 5.09 1.01 -1.01 -1.04 121.20 125.52 3hob s ILE 2190Ca 0.23 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.10 3hob s ILE 2190Cb 0.20 -2.22 -0.06 0.00 0.01 0.00 0.00 42.46 40.39 3hob s ILE 2190CO 0.50 0.42 0.06 0.42 0.00 0.00 0.00 174.94 176.35 3hob s THR 2191N 1.36 0.96 0.26 2.92 -4.23 -0.43 -4.41 115.64 112.07 3hob s THR 2191Ca 0.04 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.48 3hob s THR 2191Cb -0.14 -2.69 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 3hob s THR 2191CO -0.08 -0.04 0.39 0.00 -0.54 0.00 0.00 174.62 174.35 3hob s ALA 2192N -3.46 0.39 0.25 3.99 0.00 -1.26 -0.40 121.76 121.27 3hob s ALA 2192Ca 0.36 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 51.07 3hob s ALA 2192Cb 0.08 1.18 0.32 0.00 0.00 0.00 0.00 23.12 24.69 3hob s ALA 2192CO 0.14 -0.77 1.66 0.66 0.00 0.00 0.00 175.76 177.45 3hob h SER 2193N 2.31 0.53 -4.95 0.00 4.64 -1.77 -3.46 113.55 110.84 3hob h SER 2193Ca -0.29 -0.21 0.08 0.00 -0.47 0.00 0.00 61.79 60.91 3hob h SER 2193Cb 1.25 -0.15 -0.11 0.00 -0.31 0.00 0.00 62.40 63.08 3hob h SER 2193CO 0.41 0.82 0.38 -0.94 -0.87 0.00 0.00 176.83 176.63 3hob s SER 2194N -6.83 -0.36 0.04 4.97 1.04 -1.26 -5.03 113.70 106.27 3hob s SER 2194Ca -0.07 -0.18 -0.00 0.00 0.48 0.00 0.00 55.95 56.18 3hob s SER 2194Cb 0.13 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 3hob s SER 2194CO 0.81 -0.89 -0.04 -0.72 0.98 0.00 0.00 173.24 173.38 3hob s TYR 2195N -3.45 0.47 0.01 5.02 -0.85 -1.26 -4.32 117.35 112.97 3hob s TYR 2195Ca 0.06 -0.79 -0.24 0.00 -0.52 0.00 0.00 57.07 55.59 3hob s TYR 2195Cb -0.02 -0.32 -0.05 0.00 0.38 0.00 0.00 41.96 41.95 3hob s TYR 2195CO -0.05 -0.25 0.73 0.12 -1.52 0.00 0.00 175.55 174.57 3hob s PHE 2196N -2.67 3.68 -0.01 -3.49 5.36 0.15 -3.96 117.98 117.05 3hob s PHE 2196Ca -0.03 1.38 -0.00 0.00 -0.96 0.00 0.00 56.93 57.31 3hob s PHE 2196Cb -0.01 -2.79 0.01 0.00 -0.34 0.00 0.00 43.02 39.89 3hob s PHE 2196CO -0.05 0.23 0.02 -0.08 -1.46 0.00 0.00 175.22 173.88 3hob s THR 2197N 0.17 -0.01 0.36 0.12 -1.32 -1.26 -1.12 115.64 112.57 3hob s THR 2197Ca 0.37 0.04 -0.10 0.00 -1.21 0.00 0.00 61.69 60.79 3hob s THR 2197Cb -0.19 -0.04 0.04 0.00 -1.51 0.00 0.00 72.50 70.80 3hob s THR 2197CO 0.21 0.02 0.65 -0.46 -2.21 0.00 0.00 174.62 172.83 3hob n ASN 2198N 3.27 -1.88 0.01 8.08 0.23 -0.36 -5.02 115.26 119.59 3hob n ASN 2198Ca -0.15 -2.62 0.11 0.00 -0.53 0.00 0.00 54.58 51.40 3hob n ASN 2198Cb 0.58 3.22 0.48 0.00 -2.08 0.00 0.00 39.78 41.98 3hob n ASN 2198CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3hob n MET 2199N -0.52 0.02 0.01 -3.83 2.81 -1.26 -2.61 117.12 111.74 3hob n MET 2199Ca -0.05 0.13 -0.09 0.00 -1.81 0.00 0.00 57.70 55.88 3hob n MET 2199Cb 0.56 -1.53 -0.13 0.00 -0.71 0.00 0.00 33.22 31.40 3hob n MET 2199CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 3hob h PHE 2200N 0.00 0.03 -2.62 2.03 0.04 -2.04 -3.49 116.94 110.90 3hob h PHE 2200Ca 0.00 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 3hob h PHE 2200Cb 0.41 -0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.41 3hob h PHE 2200CO 0.00 1.03 0.24 0.00 -0.60 0.00 0.00 178.31 178.98 3hob s ALA 2201N -2.63 -1.68 -0.28 2.45 0.00 -1.07 -4.92 121.76 113.63 3hob s ALA 2201Ca -0.03 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.74 3hob s ALA 2201Cb 0.08 0.55 0.08 0.00 0.00 0.00 0.00 23.12 23.83 3hob s ALA 2201CO 0.82 -0.64 -0.00 0.99 0.00 0.00 0.00 175.76 176.93 3hob s THR 2202N -2.90 1.68 -1.11 0.00 2.01 -1.26 -1.22 115.64 112.84 3hob s THR 2202Ca -0.02 -1.60 -0.03 0.00 0.31 0.00 0.00 61.69 60.35 3hob s THR 2202Cb -0.01 -2.06 0.27 0.00 0.01 0.00 0.00 72.50 70.72 3hob s THR 2202CO -0.06 -0.33 1.81 0.79 -0.69 0.00 0.00 174.62 176.14 3hob n TRP 2203N 4.57 2.58 -1.77 4.92 7.02 -0.28 -4.82 117.44 129.65 3hob n TRP 2203Ca -0.06 -2.62 -0.31 0.00 -1.02 0.00 0.00 57.50 53.49 3hob n TRP 2203Cb 0.43 -1.38 0.03 0.00 -2.42 0.00 0.00 31.31 27.97 3hob n TRP 2203CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3hob s SER 2204N -1.05 5.79 0.36 -0.99 1.04 -1.26 -2.16 113.70 115.44 3hob s SER 2204Ca 0.39 1.42 0.12 0.00 0.48 0.00 0.00 55.95 58.36 3hob s SER 2204Cb 0.14 -2.37 0.90 0.00 0.10 0.00 0.00 66.02 64.79 3hob s SER 2204CO -0.04 -1.16 1.82 -0.65 0.98 0.00 0.00 173.24 174.20 3hob h PRO 2205N -0.52 0.58 0.00 4.02 0.11 -1.89 -1.28 132.00 133.02 3hob h PRO 2205Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hob h PRO 2205Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hob h PRO 2205CO 0.61 0.39 0.00 -1.13 -0.21 0.00 0.00 178.00 177.65 3hob n SER 2206N -4.62 0.00 -0.65 -2.05 3.41 -1.26 -1.65 113.62 106.80 3hob n SER 2206Ca 0.21 -0.01 0.12 0.00 -0.26 0.00 0.00 58.87 58.94 3hob n SER 2206Cb 0.62 -0.23 0.38 0.00 -0.26 0.00 0.00 64.21 64.72 3hob n SER 2206CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hob n LYS 2207N -1.23 1.88 -1.14 4.33 4.76 -0.48 -4.65 118.16 121.63 3hob n LYS 2207Ca 0.07 -1.30 -0.26 0.00 -2.87 0.00 0.00 58.31 53.96 3hob n LYS 2207Cb 0.10 -1.45 -0.10 0.00 -1.84 0.00 0.00 35.03 31.74 3hob n LYS 2207CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hob n ALA 2208N 0.55 6.89 -3.42 7.82 0.00 -0.66 -3.06 120.51 128.63 3hob n ALA 2208Ca 0.17 -2.66 -0.32 0.00 0.00 0.00 0.00 53.44 50.63 3hob n ALA 2208Cb 0.41 -2.86 -0.17 0.00 0.00 0.00 0.00 19.45 16.83 3hob n ALA 2208CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hob s ARG 2209N 1.65 3.00 0.25 0.00 0.52 -1.26 -1.63 118.95 121.48 3hob s ARG 2209Ca 0.67 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.73 3hob s ARG 2209Cb 0.24 -2.34 -0.15 0.00 0.52 0.00 0.00 34.95 33.23 3hob s ARG 2209CO -0.03 0.09 1.05 -0.11 0.02 0.00 0.00 175.30 176.32 3hob n LEU 2210N 3.77 1.62 0.00 2.53 7.94 -0.29 -1.60 117.00 130.97 3hob n LEU 2210Ca -0.19 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 3hob n LEU 2210Cb 0.52 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.22 3hob n LEU 2210CO 0.27 -1.41 0.00 1.41 -1.11 0.00 0.00 177.39 176.56 3hob n HIS 2211N 0.68 0.00 -1.70 1.96 8.25 -1.26 -4.68 115.22 118.47 3hob n HIS 2211Ca 0.12 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.14 3hob n HIS 2211Cb 0.29 -1.21 -0.03 0.00 1.12 0.00 0.00 29.99 30.16 3hob n HIS 2211CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3hob n LEU 2212N 0.00 3.65 -4.67 2.41 7.94 -0.63 -5.00 117.00 120.71 3hob n LEU 2212Ca 0.00 1.07 -0.27 0.00 -1.11 0.00 0.00 56.01 55.70 3hob n LEU 2212Cb 0.12 -1.52 -0.08 0.00 0.53 0.00 0.00 43.42 42.48 3hob n LEU 2212CO 0.00 0.00 -0.33 -1.10 -1.11 0.00 0.00 177.39 174.85 3hob s GLN 2213N 1.12 2.42 0.00 1.96 -0.21 -1.26 -4.85 119.66 118.84 3hob s GLN 2213Ca 0.77 -1.09 0.00 0.00 0.02 0.00 0.00 55.36 55.06 3hob s GLN 2213Cb -0.57 -2.37 0.00 0.00 1.00 0.00 0.00 33.01 31.07 3hob s GLN 2213CO 0.35 0.46 0.00 0.41 -2.12 0.00 0.00 175.29 174.38 3hob n GLY 2214N -0.10 0.90 0.18 3.09 0.00 -1.26 -4.81 105.19 103.18 3hob n GLY 2214Ca -0.10 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 3hob n GLY 2214CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hob h ARG 2215N 8.02 -0.35 -2.37 1.61 1.12 -1.98 -3.34 114.38 117.08 3hob h ARG 2215Ca 0.00 0.02 -0.59 0.00 -1.11 0.00 0.00 59.98 58.30 3hob h ARG 2215Cb 0.00 0.08 -0.41 0.00 -0.01 0.00 0.00 29.97 29.63 3hob h ARG 2215CO 0.00 -0.06 -0.76 -1.13 -3.11 0.00 0.00 179.97 174.91 3hob n SER 2216N -5.13 2.21 -2.37 -3.80 3.41 -1.26 -4.98 113.62 101.69 3hob n SER 2216Ca -0.09 -3.08 -0.34 0.00 -0.26 0.00 0.00 58.87 55.10 3hob n SER 2216Cb 0.24 -0.67 0.07 0.00 -0.26 0.00 0.00 64.21 63.59 3hob n SER 2216CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hob n ASN 2217N 1.49 7.52 -3.63 4.04 6.94 -1.26 -4.78 115.26 125.59 3hob n ASN 2217Ca 0.26 -3.70 -0.08 0.00 -0.02 0.00 0.00 54.58 51.03 3hob n ASN 2217Cb 0.43 -1.01 -0.02 0.00 -2.36 0.00 0.00 39.78 36.83 3hob n ASN 2217CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hob s ALA 2218N -3.59 -1.55 -0.02 -2.53 0.00 -1.17 -4.76 121.76 108.14 3hob s ALA 2218Ca 0.59 0.30 -0.26 0.00 0.00 0.00 0.00 51.96 52.59 3hob s ALA 2218Cb 0.47 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 24.28 3hob s ALA 2218CO -0.08 -0.88 0.83 -0.46 0.00 0.00 0.00 175.76 175.17 3hob s TRP 2219N -3.58 3.64 -0.07 0.00 -0.00 -0.49 -4.10 118.94 114.34 3hob s TRP 2219Ca 0.07 1.48 0.02 0.00 -0.00 0.00 0.00 56.10 57.67 3hob s TRP 2219Cb -0.02 -2.94 0.01 0.00 -0.00 0.00 0.00 33.47 30.52 3hob s TRP 2219CO -0.04 0.08 -0.14 1.03 -0.00 0.00 0.00 176.95 177.89 3hob s ARG 2220N 0.73 1.91 0.85 5.86 0.52 -0.92 -1.84 118.95 126.06 3hob s ARG 2220Ca 0.44 -0.48 -0.11 0.00 -0.52 0.00 0.00 55.73 55.05 3hob s ARG 2220Cb -0.20 -1.55 0.10 0.00 0.52 0.00 0.00 34.95 33.83 3hob s ARG 2220CO 0.23 0.05 1.09 -1.25 0.02 0.00 0.00 175.30 175.44 3hob s PRO 2221N 0.63 1.60 0.36 3.54 0.04 -1.26 0.32 135.00 140.23 3hob s PRO 2221Ca -0.15 0.95 0.19 0.00 0.04 0.00 0.00 61.00 62.02 3hob s PRO 2221Cb -0.16 -1.84 0.61 0.00 0.04 0.00 0.00 34.50 33.15 3hob s PRO 2221CO 0.04 -2.04 1.70 0.37 0.04 0.00 0.00 177.00 177.11 3hob h GLN 2222N -1.41 0.00 -5.16 4.56 4.15 -1.75 -3.33 115.11 112.18 3hob h GLN 2222Ca -0.47 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 58.58 3hob h GLN 2222Cb 1.27 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 28.75 3hob h GLN 2222CO 0.53 0.38 -0.76 0.14 -1.93 0.00 0.00 178.83 177.20 3hob s VAL 2223N -3.51 1.02 -0.78 2.39 -7.23 -1.26 -4.90 120.40 106.13 3hob s VAL 2223Ca 0.01 -1.42 -0.20 0.00 -1.81 0.00 0.00 61.98 58.56 3hob s VAL 2223Cb 0.10 -1.14 0.10 0.00 0.56 0.00 0.00 36.38 36.00 3hob s VAL 2223CO 0.69 -0.36 1.01 0.20 -0.31 0.00 0.00 175.10 176.33 3hob s ASN 2224N -1.99 6.39 0.08 4.85 0.01 -1.26 -4.92 114.94 118.10 3hob s ASN 2224Ca 0.00 -1.56 -0.23 0.00 -0.71 0.00 0.00 52.86 50.37 3hob s ASN 2224Cb -0.08 -2.39 0.06 0.00 0.41 0.00 0.00 41.25 39.25 3hob s ASN 2224CO 0.02 -1.22 0.55 0.54 -1.51 0.00 0.00 177.10 175.48 3hob s ASN 2225N 3.64 -0.49 0.00 -1.22 2.20 -1.26 -5.05 114.94 112.76 3hob s ASN 2225Ca 0.26 0.12 0.12 0.00 -0.94 0.00 0.00 52.86 52.42 3hob s ASN 2225Cb -0.12 0.53 0.71 0.00 -2.00 0.00 0.00 41.25 40.37 3hob s ASN 2225CO 0.00 -0.81 1.28 -0.81 -2.94 0.00 0.00 177.10 173.82 3hob n PRO 2226N 0.11 0.77 0.00 3.55 -0.05 -1.26 -1.92 135.00 136.20 3hob n PRO 2226Ca -0.18 0.00 0.14 0.00 -0.05 0.00 0.00 63.50 63.41 3hob n PRO 2226Cb 0.62 -1.24 0.63 0.00 -0.05 0.00 0.00 33.50 33.46 3hob n PRO 2226CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 175.50 175.81 3hob n LYS 2227N -0.74 0.27 -2.42 0.54 2.85 -1.26 -4.77 118.16 112.62 3hob n LYS 2227Ca 0.09 -0.04 -0.32 0.00 -1.05 0.00 0.00 58.31 56.99 3hob n LYS 2227Cb 0.04 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.89 3hob n LYS 2227CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3hob s GLU 2228N -2.76 3.93 -0.01 -1.58 0.41 -0.81 -4.98 118.70 112.89 3hob s GLU 2228Ca 0.21 0.91 -0.24 0.00 -0.41 0.00 0.00 54.97 55.45 3hob s GLU 2228Cb 0.19 -2.15 0.05 0.00 -1.78 0.00 0.00 34.13 30.44 3hob s GLU 2228CO 0.51 -0.26 0.52 1.67 -0.49 0.00 0.00 175.26 177.22 3hob s TRP 2229N -2.62 -0.44 -0.04 1.61 1.48 -1.26 -4.06 118.94 113.60 3hob s TRP 2229Ca 0.58 0.67 0.07 0.00 -1.06 0.00 0.00 56.10 56.35 3hob s TRP 2229Cb -0.10 0.30 -0.02 0.00 -1.16 0.00 0.00 33.47 32.49 3hob s TRP 2229CO 0.32 -0.56 -0.24 -1.17 -4.06 0.00 0.00 176.95 171.25 3hob s LEU 2230N -1.48 2.17 -0.00 -4.66 2.96 -0.86 -1.96 118.68 114.85 3hob s LEU 2230Ca -0.10 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.43 3hob s LEU 2230Cb -0.02 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 3hob s LEU 2230CO 0.05 0.30 -0.18 -1.58 -1.32 0.00 0.00 176.35 173.62 3hob s GLN 2231N -0.47 1.40 -0.11 1.98 0.74 0.47 -0.62 119.66 123.04 3hob s GLN 2231Ca 0.06 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 54.81 3hob s GLN 2231Cb -0.11 -1.37 0.01 0.00 1.10 0.00 0.00 33.01 32.64 3hob s GLN 2231CO 0.01 0.37 -0.16 0.08 -0.55 0.00 0.00 175.29 175.04 3hob s VAL 2232N -0.48 1.60 -0.45 1.34 1.01 0.19 -1.31 120.40 122.29 3hob s VAL 2232Ca 0.07 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 3hob s VAL 2232Cb -0.07 -1.45 0.06 0.00 0.00 0.00 0.00 36.38 34.92 3hob s VAL 2232CO -0.00 0.46 0.38 -0.62 0.00 0.00 0.00 175.10 175.32 3hob s ASP 2233N 0.94 6.14 0.28 3.32 3.68 -0.21 -1.27 116.67 129.55 3hob s ASP 2233Ca -0.07 -1.17 0.23 0.00 2.13 0.00 0.00 52.55 53.68 3hob s ASP 2233Cb -0.15 -2.18 1.03 0.00 -1.45 0.00 0.00 42.92 40.17 3hob s ASP 2233CO -0.01 -0.60 1.70 0.49 0.13 0.00 0.00 175.17 176.88 3hob n PHE 2234N 5.25 0.80 -0.92 -5.34 0.99 -0.24 -4.81 117.46 113.17 3hob n PHE 2234Ca -0.12 0.34 0.00 0.00 -0.00 0.00 0.00 57.45 57.67 3hob n PHE 2234Cb 0.45 -1.04 0.00 0.00 -1.00 0.00 0.00 39.48 37.88 3hob n PHE 2234CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3hob n GLN 2235N -2.25 -0.76 -3.58 -1.08 6.02 -1.26 -4.92 117.38 109.55 3hob n GLN 2235Ca 0.01 0.19 -0.07 0.00 -0.01 0.00 0.00 57.00 57.12 3hob n GLN 2235Cb 0.18 -3.92 -0.02 0.00 1.02 0.00 0.00 30.24 27.50 3hob n GLN 2235CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3hob s LYS 2236N -0.91 0.99 0.09 -1.09 -2.85 -1.26 -5.14 119.74 109.57 3hob s LYS 2236Ca 0.00 -0.44 -0.31 0.00 -1.00 0.00 0.00 55.97 54.22 3hob s LYS 2236Cb 0.00 0.41 -0.09 0.00 -2.06 0.00 0.00 37.83 36.09 3hob s LYS 2236CO 0.00 -0.44 1.66 0.99 0.10 0.00 0.00 175.35 177.65 3hob s THR 2237N -3.24 2.90 0.21 3.79 2.01 -1.26 -4.30 115.64 115.74 3hob s THR 2237Ca 0.07 0.43 0.10 0.00 0.31 0.00 0.00 61.69 62.60 3hob s THR 2237Cb -0.01 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 3hob s THR 2237CO -0.06 0.01 -0.19 -0.04 -0.69 0.00 0.00 174.62 173.65 3hob s MET 2238N 2.37 1.42 -0.23 4.92 1.00 0.82 -4.69 119.30 124.91 3hob s MET 2238Ca 0.74 -1.55 -0.19 0.00 0.00 0.00 0.00 55.69 54.68 3hob s MET 2238Cb -0.41 -1.46 -0.03 0.00 0.00 0.00 0.00 34.83 32.93 3hob s MET 2238CO 0.32 0.28 0.56 0.21 0.00 0.00 0.00 175.02 176.40 3hob s LYS 2239N -3.15 4.14 -0.23 2.03 2.20 -0.17 -1.18 119.74 123.38 3hob s LYS 2239Ca 0.21 0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 56.26 3hob s LYS 2239Cb -0.05 -3.61 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 3hob s LYS 2239CO 0.09 -0.28 -0.07 0.08 -0.36 0.00 0.00 175.35 174.81 3hob s VAL 2240N 2.05 2.91 -0.67 4.02 1.01 0.80 -1.56 120.40 128.97 3hob s VAL 2240Ca 0.24 -0.88 0.11 0.00 0.00 0.00 0.00 61.98 61.46 3hob s VAL 2240Cb -0.16 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 3hob s VAL 2240CO 0.09 0.29 0.53 0.35 0.00 0.00 0.00 175.10 176.37 3hob n THR 2241N 4.70 0.00 -3.61 3.92 -2.24 -0.52 -0.67 114.28 115.86 3hob n THR 2241Ca -0.17 -0.27 -0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3hob n THR 2241Cb 0.48 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 3hob n THR 2241CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hob s GLY 2242N -1.93 -0.34 0.02 3.38 0.00 -1.13 -0.19 107.32 107.13 3hob s GLY 2242Ca 0.06 1.38 0.03 0.00 0.00 0.00 0.00 44.72 46.18 3hob s GLY 2242CO 0.42 0.40 -0.09 -1.34 0.00 0.00 0.00 173.10 172.50 3hob s VAL 2243N -2.20 0.66 -0.11 1.40 -7.23 -0.14 -0.41 120.40 112.38 3hob s VAL 2243Ca 0.12 -0.64 0.02 0.00 -1.81 0.00 0.00 61.98 59.67 3hob s VAL 2243Cb 0.02 -0.61 -0.01 0.00 0.56 0.00 0.00 36.38 36.34 3hob s VAL 2243CO -0.04 -0.02 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.68 3hob s THR 2244N -0.62 2.76 0.11 5.32 2.01 -0.07 -0.74 115.64 124.41 3hob s THR 2244Ca -0.01 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.27 3hob s THR 2244Cb -0.06 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 3hob s THR 2244CO 0.00 0.54 -0.15 0.42 -0.69 0.00 0.00 174.62 174.75 3hob s THR 2245N 0.19 1.32 0.05 -0.82 -4.23 -0.77 -0.28 115.64 111.10 3hob s THR 2245Ca -0.10 -1.61 -0.06 0.00 -1.18 0.00 0.00 61.69 58.74 3hob s THR 2245Cb -0.16 -1.43 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 3hob s THR 2245CO 0.06 -0.35 0.11 -1.58 -0.54 0.00 0.00 174.62 172.33 3hob s GLN 2246N -2.40 0.67 0.00 3.99 0.74 0.42 -1.53 119.66 121.54 3hob s GLN 2246Ca 0.06 -0.85 0.00 0.00 0.05 0.00 0.00 55.36 54.62 3hob s GLN 2246Cb -0.06 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.31 3hob s GLN 2246CO 0.03 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.00 3hob n GLY 2247N 0.47 1.66 3.13 2.59 0.00 -1.23 -1.45 105.19 110.36 3hob n GLY 2247Ca -0.17 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 3hob n GLY 2247CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hob s VAL 2248N 1.95 0.11 -0.21 1.61 -7.23 -0.07 -4.53 120.40 112.03 3hob s VAL 2248Ca 0.00 -0.92 -0.08 0.00 -1.81 0.00 0.00 61.98 59.17 3hob s VAL 2248Cb 0.00 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 3hob s VAL 2248CO 0.00 -0.51 0.08 -0.75 -0.31 0.00 0.00 175.10 173.61 3hob s LYS 2249N -2.24 3.91 -0.02 4.82 2.20 -1.26 -0.46 119.74 126.68 3hob s LYS 2249Ca -0.08 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 3hob s LYS 2249Cb -0.03 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 3hob s LYS 2249CO -0.03 0.14 -0.05 0.45 -0.36 0.00 0.00 175.35 175.50 3hob s SER 2250N 0.75 0.81 -1.56 1.43 0.15 -0.73 -4.87 113.70 109.68 3hob s SER 2250Ca 0.04 -0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.45 3hob s SER 2250Cb -0.13 -0.26 0.09 0.00 -1.71 0.00 0.00 66.02 64.01 3hob s SER 2250CO 0.02 0.01 0.78 0.18 1.20 0.00 0.00 173.24 175.43 3hob n LEU 2251N 3.52 -2.21 0.00 3.45 4.77 -1.26 -0.81 117.00 124.46 3hob n LEU 2251Ca -0.20 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 3hob n LEU 2251Cb 0.54 -2.32 0.00 0.00 -2.33 0.00 0.00 43.42 39.30 3hob n LEU 2251CO 0.24 0.39 0.00 0.18 -1.33 0.00 0.00 177.39 176.87 3hob n LEU 2252N -4.49 0.09 -4.14 2.23 4.32 -1.26 -5.00 117.00 108.74 3hob n LEU 2252Ca -0.04 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.62 3hob n LEU 2252Cb 0.55 -0.50 -0.16 0.00 -1.62 0.00 0.00 43.42 41.69 3hob n LEU 2252CO 0.79 -0.07 -0.52 -0.89 -1.22 0.00 0.00 177.39 175.47 3hob s THR 2253N -2.50 2.15 0.20 -5.08 2.01 0.01 -5.10 115.64 107.33 3hob s THR 2253Ca 0.00 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 3hob s THR 2253Cb 0.00 -1.90 -0.08 0.00 0.01 0.00 0.00 72.50 70.53 3hob s THR 2253CO 0.00 0.53 1.01 -0.94 -0.69 0.00 0.00 174.62 174.53 3hob s SER 2254N 1.22 7.46 -0.07 3.53 1.04 -1.26 -1.78 113.70 123.84 3hob s SER 2254Ca 0.03 2.00 -0.00 0.00 0.48 0.00 0.00 55.95 58.46 3hob s SER 2254Cb -0.13 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.40 3hob s SER 2254CO -0.11 -0.03 -0.04 -0.04 0.98 0.00 0.00 173.24 174.00 3hob s MET 2255N -0.75 0.96 0.10 4.02 -1.94 0.39 -4.53 119.30 117.55 3hob s MET 2255Ca 0.45 -0.08 -0.17 0.00 -1.71 0.00 0.00 55.69 54.18 3hob s MET 2255Cb -0.27 -1.09 0.04 0.00 2.01 0.00 0.00 34.83 35.52 3hob s MET 2255CO 0.34 -0.19 0.41 1.52 -0.01 0.00 0.00 175.02 177.09 3hob s TYR 2256N 1.45 -0.24 -0.18 -0.03 -0.85 -1.14 -0.90 117.35 115.47 3hob s TYR 2256Ca -0.02 0.03 -0.16 0.00 -0.52 0.00 0.00 57.07 56.41 3hob s TYR 2256Cb -0.13 0.25 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 3hob s TYR 2256CO -0.03 -0.66 0.38 0.08 -1.52 0.00 0.00 175.55 173.80 3hob s VAL 2257N -3.30 5.22 -0.10 -3.49 1.01 -1.25 -1.01 120.40 117.48 3hob s VAL 2257Ca -0.00 0.69 0.06 0.00 0.00 0.00 0.00 61.98 62.73 3hob s VAL 2257Cb 0.01 -3.72 -0.24 0.00 0.00 0.00 0.00 36.38 32.43 3hob s VAL 2257CO -0.08 0.29 0.45 0.29 0.00 0.00 0.00 175.10 176.05 3hob n LYS 2258N 4.17 0.68 -3.90 2.72 5.02 0.73 -1.22 118.16 126.37 3hob n LYS 2258Ca -0.09 0.25 -0.11 0.00 -2.02 0.00 0.00 58.31 56.34 3hob n LYS 2258Cb 0.51 -1.72 -0.12 0.00 -0.02 0.00 0.00 35.03 33.68 3hob n LYS 2258CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hob s GLU 2259N -2.57 0.17 0.11 1.97 2.02 -1.09 0.14 118.70 119.45 3hob s GLU 2259Ca -0.13 -0.20 -0.15 0.00 0.02 0.00 0.00 54.97 54.50 3hob s GLU 2259Cb 0.07 0.06 0.03 0.00 0.10 0.00 0.00 34.13 34.40 3hob s GLU 2259CO 0.79 -0.03 0.38 -0.59 0.02 0.00 0.00 175.26 175.83 3hob s PHE 2260N -0.58 -0.17 0.25 1.61 -0.12 -0.59 -0.72 117.98 117.65 3hob s PHE 2260Ca -0.06 -0.14 0.08 0.00 -0.05 0.00 0.00 56.93 56.76 3hob s PHE 2260Cb -0.04 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 3hob s PHE 2260CO -0.00 -0.67 0.07 -0.51 -0.05 0.00 0.00 175.22 174.06 3hob s LEU 2261N -2.74 3.44 -0.08 -1.99 1.43 -0.01 -0.92 118.68 117.82 3hob s LEU 2261Ca 0.02 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3hob s LEU 2261Cb 0.02 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 3hob s LEU 2261CO -0.11 -0.00 -0.22 -0.63 0.23 0.00 0.00 176.35 175.61 3hob s ILE 2262N -2.19 1.88 0.26 -0.59 1.01 -1.26 -0.40 121.20 119.90 3hob s ILE 2262Ca 0.32 -0.94 0.10 0.00 0.00 0.00 0.00 60.65 60.13 3hob s ILE 2262Cb -0.07 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 3hob s ILE 2262CO 0.22 0.52 -0.16 -0.94 0.00 0.00 0.00 174.94 174.58 3hob s SER 2263N 0.20 3.19 0.04 3.58 1.04 -0.64 0.05 113.70 121.17 3hob s SER 2263Ca -0.12 -1.05 -0.07 0.00 0.48 0.00 0.00 55.95 55.18 3hob s SER 2263Cb -0.16 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.72 3hob s SER 2263CO 0.06 -0.08 0.14 -0.94 0.98 0.00 0.00 173.24 173.39 3hob s SER 2264N -3.45 0.13 0.02 7.02 1.04 0.31 -1.19 113.70 117.58 3hob s SER 2264Ca 0.28 -0.50 -0.09 0.00 0.48 0.00 0.00 55.95 56.12 3hob s SER 2264Cb -0.02 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3hob s SER 2264CO 0.12 -0.55 0.17 -0.55 0.98 0.00 0.00 173.24 173.41 3hob s SER 2265N -2.22 0.02 -0.18 7.02 0.15 -0.91 -0.30 113.70 117.28 3hob s SER 2265Ca -0.03 -0.27 0.18 0.00 0.70 0.00 0.00 55.95 56.53 3hob s SER 2265Cb -0.00 0.25 -0.26 0.00 -1.71 0.00 0.00 66.02 64.30 3hob s SER 2265CO -0.05 -0.46 0.12 0.00 1.20 0.00 0.00 173.24 174.05 3hob n GLN 2266N 1.08 0.73 -0.11 5.44 1.13 -1.26 -1.20 117.38 123.17 3hob n GLN 2266Ca -0.21 -0.03 -0.14 0.00 -1.94 0.00 0.00 57.00 54.68 3hob n GLN 2266Cb 0.57 -1.51 -0.14 0.00 0.11 0.00 0.00 30.24 29.27 3hob n GLN 2266CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3hob n ASP 2267N -2.67 0.95 0.00 1.08 5.68 -1.26 -4.72 116.55 115.61 3hob n ASP 2267Ca -0.29 -0.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.94 3hob n ASP 2267Cb 1.07 0.34 0.00 0.00 -1.14 0.00 0.00 41.12 41.40 3hob n ASP 2267CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hob n GLY 2268N 2.00 0.83 0.01 6.12 0.00 -1.26 -4.93 105.19 107.96 3hob n GLY 2268Ca -0.39 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 3hob n GLY 2268CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hob n HIS 2269N -0.87 0.00 -3.32 1.61 1.44 -1.26 -4.97 115.22 107.85 3hob n HIS 2269Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 3hob n HIS 2269Cb 0.00 -0.11 -0.09 0.00 0.12 0.00 0.00 29.99 29.92 3hob n HIS 2269CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 3hob s GLN 2270N -2.05 3.37 -0.18 -1.40 -1.52 -1.26 -5.07 119.66 111.55 3hob s GLN 2270Ca -0.02 -0.50 -0.04 0.00 -1.95 0.00 0.00 55.36 52.85 3hob s GLN 2270Cb 0.01 -3.88 -0.02 0.00 -0.22 0.00 0.00 33.01 28.89 3hob s GLN 2270CO 0.08 -0.71 -0.02 -1.58 -0.25 0.00 0.00 175.29 172.81 3hob s TRP 2271N 2.19 3.02 -0.22 0.91 0.52 -1.26 -4.42 118.94 119.67 3hob s TRP 2271Ca 0.14 -0.43 -0.06 0.00 0.02 0.00 0.00 56.10 55.77 3hob s TRP 2271Cb -0.16 -2.02 -0.02 0.00 -1.15 0.00 0.00 33.47 30.11 3hob s TRP 2271CO 0.13 -0.17 0.02 0.99 0.02 0.00 0.00 176.95 177.94 3hob s THR 2272N 0.74 3.97 0.23 2.01 2.01 0.59 -4.89 115.64 120.29 3hob s THR 2272Ca -0.01 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 3hob s THR 2272Cb -0.14 -2.82 -0.09 0.00 0.01 0.00 0.00 72.50 69.46 3hob s THR 2272CO 0.02 0.39 1.23 -0.76 -0.69 0.00 0.00 174.62 174.81 3hob s LEU 2273N 1.36 4.45 -0.04 4.42 1.43 -1.26 -0.53 118.68 128.51 3hob s LEU 2273Ca 0.05 2.36 -0.30 0.00 -1.03 0.00 0.00 54.13 55.21 3hob s LEU 2273Cb -0.15 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 3hob s LEU 2273CO 0.01 -0.40 1.42 0.12 0.23 0.00 0.00 176.35 177.74 3hob s PHE 2274N -0.38 2.69 0.19 0.29 5.36 0.11 -4.94 117.98 121.29 3hob s PHE 2274Ca 0.52 0.73 0.06 0.00 -0.96 0.00 0.00 56.93 57.29 3hob s PHE 2274Cb -0.35 -3.68 -0.04 0.00 -0.34 0.00 0.00 43.02 38.61 3hob s PHE 2274CO 0.40 -2.58 0.08 -0.06 -1.46 0.00 0.00 175.22 171.61 3hob s PHE 2275N 2.90 3.00 -0.07 10.12 0.40 -1.26 -0.98 117.98 132.08 3hob s PHE 2275Ca 0.64 -0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.85 3hob s PHE 2275Cb -0.30 -1.43 0.04 0.00 0.51 0.00 0.00 43.02 41.84 3hob s PHE 2275CO 0.25 0.53 0.16 -1.14 0.70 0.00 0.00 175.22 175.71 3hob s GLN 2276N -3.17 0.09 -1.43 0.44 0.74 0.34 -4.66 119.66 112.01 3hob s GLN 2276Ca 0.30 0.42 -0.09 0.00 0.05 0.00 0.00 55.36 56.04 3hob s GLN 2276Cb -0.09 -0.19 0.05 0.00 1.10 0.00 0.00 33.01 33.88 3hob s GLN 2276CO 0.22 -0.19 0.93 0.09 -0.55 0.00 0.00 175.29 175.78 3hob n ASN 2277N 4.41 -3.82 -0.06 6.67 3.02 -1.26 -2.95 115.26 121.26 3hob n ASN 2277Ca -0.23 -0.75 -0.01 0.00 -0.03 0.00 0.00 54.58 53.56 3hob n ASN 2277Cb 0.51 -4.14 -0.00 0.00 -0.61 0.00 0.00 39.78 35.54 3hob n ASN 2277CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hob n GLY 2278N -1.68 0.47 3.39 7.41 0.00 -1.26 -5.01 105.19 108.51 3hob n GLY 2278Ca -0.08 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 3hob n GLY 2278CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hob s LYS 2279N -0.77 1.21 0.06 1.61 -2.85 -1.15 -5.11 119.74 112.73 3hob s LYS 2279Ca 0.00 -1.03 -0.37 0.00 -1.00 0.00 0.00 55.97 53.56 3hob s LYS 2279Cb 0.00 0.43 -0.17 0.00 -2.06 0.00 0.00 37.83 36.03 3hob s LYS 2279CO 0.00 -0.47 1.33 0.28 0.10 0.00 0.00 175.35 176.59 3hob n VAL 2280N -0.25 0.01 -2.55 1.79 0.31 -1.26 -0.50 118.33 115.88 3hob n VAL 2280Ca -0.09 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.81 3hob n VAL 2280Cb 0.63 -0.74 -0.03 0.00 -0.91 0.00 0.00 33.84 32.79 3hob n VAL 2280CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3hob s LYS 2281N 0.58 4.45 -0.43 5.55 2.20 -0.16 -4.63 119.74 127.31 3hob s LYS 2281Ca 0.86 1.59 -0.16 0.00 -0.36 0.00 0.00 55.97 57.90 3hob s LYS 2281Cb -1.00 -3.46 0.03 0.00 -1.51 0.00 0.00 37.83 31.89 3hob s LYS 2281CO 0.49 -0.25 0.37 0.08 -0.36 0.00 0.00 175.35 175.68 3hob s VAL 2282N 1.44 5.19 0.08 4.02 1.01 -1.26 -4.56 120.40 126.32 3hob s VAL 2282Ca 0.55 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.61 3hob s VAL 2282Cb -0.24 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 3hob s VAL 2282CO 0.26 -0.41 0.84 -0.36 0.00 0.00 0.00 175.10 175.42 3hob s PHE 2283N 1.83 3.78 -0.22 5.22 0.40 -0.09 -4.90 117.98 123.98 3hob s PHE 2283Ca 0.07 1.60 -0.24 0.00 -0.60 0.00 0.00 56.93 57.76 3hob s PHE 2283Cb -0.19 -2.90 -0.01 0.00 0.51 0.00 0.00 43.02 40.43 3hob s PHE 2283CO 0.10 0.27 0.81 -0.65 0.70 0.00 0.00 175.22 176.45 3hob s GLN 2284N -0.11 4.21 0.00 0.44 -1.52 -1.26 -1.55 119.66 119.86 3hob s GLN 2284Ca 0.41 0.92 0.00 0.00 -1.95 0.00 0.00 55.36 54.74 3hob s GLN 2284Cb -0.22 -3.63 0.00 0.00 -0.22 0.00 0.00 33.01 28.95 3hob s GLN 2284CO 0.26 -0.45 0.00 0.41 -0.25 0.00 0.00 175.29 175.25 3hob n GLY 2285N 3.71 0.56 3.88 3.09 0.00 0.36 -4.95 105.19 111.84 3hob n GLY 2285Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3hob n GLY 2285CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hob s ASN 2286N -0.91 6.36 0.00 1.61 0.01 -0.36 -4.92 114.94 116.73 3hob s ASN 2286Ca 0.00 1.20 0.00 0.00 -0.71 0.00 0.00 52.86 53.35 3hob s ASN 2286Cb 0.00 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.30 3hob s ASN 2286CO 0.00 -0.63 0.30 0.00 -1.51 0.00 0.00 177.10 175.26 3hob n GLN 2287N -2.10 -0.51 -1.62 -0.60 10.64 -1.26 -4.32 117.38 117.61 3hob n GLN 2287Ca 0.03 -0.31 -0.00 0.00 -1.83 0.00 0.00 57.00 54.89 3hob n GLN 2287Cb 0.54 -0.79 -0.00 0.00 -0.86 0.00 0.00 30.24 29.14 3hob n GLN 2287CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 3hob n ASP 2288N -0.01 -0.00 0.02 2.61 3.85 -1.26 -5.08 116.55 116.68 3hob n ASP 2288Ca 0.00 -1.01 0.11 0.00 -0.71 0.00 0.00 54.79 53.18 3hob n ASP 2288Cb 0.11 0.01 -0.02 0.00 -1.35 0.00 0.00 41.12 39.87 3hob n ASP 2288CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 3hob n SER 2289N -2.21 0.57 -0.01 -1.12 2.88 -1.26 -4.32 113.62 108.16 3hob n SER 2289Ca 0.00 -0.23 -0.01 0.00 -1.33 0.00 0.00 58.87 57.31 3hob n SER 2289Cb 0.00 0.98 -0.01 0.00 -0.75 0.00 0.00 64.21 64.43 3hob n SER 2289CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3hob n PHE 2290N -2.00 0.00 -2.53 0.66 3.01 -1.26 -3.21 117.46 112.12 3hob n PHE 2290Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 3hob n PHE 2290Cb 0.45 -0.05 -0.03 0.00 -0.01 0.00 0.00 39.48 39.85 3hob n PHE 2290CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3hob s THR 2291N -2.03 4.42 0.37 4.37 2.01 -1.26 -4.88 115.64 118.64 3hob s THR 2291Ca -0.01 1.73 -0.25 0.00 0.31 0.00 0.00 61.69 63.47 3hob s THR 2291Cb 0.00 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 3hob s THR 2291CO 0.04 -0.02 1.02 -2.84 -0.69 0.00 0.00 174.62 172.12 3hob s PRO 2292N 2.33 4.34 -0.14 4.92 0.02 -1.26 -4.66 135.00 140.56 3hob s PRO 2292Ca 0.53 1.46 0.01 0.00 0.02 0.00 0.00 61.00 63.02 3hob s PRO 2292Cb -0.22 -2.66 0.02 0.00 0.02 0.00 0.00 34.50 31.65 3hob s PRO 2292CO 0.19 0.03 -0.16 0.08 -0.33 0.00 0.00 177.00 176.81 3hob s VAL 2293N -1.62 1.67 -0.19 3.83 1.01 -0.58 -4.95 120.40 119.57 3hob s VAL 2293Ca 0.54 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 3hob s VAL 2293Cb -0.21 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3hob s VAL 2293CO 0.27 0.47 0.28 -0.69 0.00 0.00 0.00 175.10 175.44 3hob s VAL 2294N 1.22 5.30 -0.11 2.92 1.01 -1.26 -1.85 120.40 127.62 3hob s VAL 2294Ca -0.00 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3hob s VAL 2294Cb -0.14 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3hob s VAL 2294CO -0.07 0.35 -0.12 0.20 0.00 0.00 0.00 175.10 175.46 3hob s ASN 2295N 0.72 4.17 0.23 3.32 0.01 0.08 -4.99 114.94 118.49 3hob s ASN 2295Ca 0.15 -0.25 -0.15 0.00 -0.71 0.00 0.00 52.86 51.90 3hob s ASN 2295Cb -0.13 -1.47 -0.08 0.00 0.41 0.00 0.00 41.25 39.98 3hob s ASN 2295CO 0.04 0.21 0.65 -0.44 -1.51 0.00 0.00 177.10 176.05 3hob s SER 2296N 0.07 6.82 -0.34 -1.22 0.01 -1.26 -0.96 113.70 116.82 3hob s SER 2296Ca -0.04 1.19 -0.11 0.00 1.31 0.00 0.00 55.95 58.29 3hob s SER 2296Cb -0.14 -2.33 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 3hob s SER 2296CO 0.04 -0.04 0.20 -0.76 0.41 0.00 0.00 173.24 173.09 3hob s LEU 2297N -2.44 4.40 -0.14 2.44 1.43 0.73 -4.88 118.68 120.23 3hob s LEU 2297Ca 0.46 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3hob s LEU 2297Cb -0.13 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.08 3hob s LEU 2297CO 0.19 -0.26 0.01 -0.62 0.23 0.00 0.00 176.35 175.91 3hob s ASP 2298N 1.64 2.40 0.71 2.29 3.68 -1.26 -2.60 116.67 123.53 3hob s ASP 2298Ca 0.05 -0.52 -0.12 0.00 2.13 0.00 0.00 52.55 54.08 3hob s ASP 2298Cb -0.18 -0.58 0.02 0.00 -1.45 0.00 0.00 42.92 40.73 3hob s ASP 2298CO 0.08 -0.25 1.08 -2.16 0.13 0.00 0.00 175.17 174.05 3hob s PRO 2299N 1.87 2.68 0.63 4.34 0.04 -1.26 -4.99 135.00 138.31 3hob s PRO 2299Ca 0.02 1.13 -0.19 0.00 0.04 0.00 0.00 61.00 62.00 3hob s PRO 2299Cb -0.15 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3hob s PRO 2299CO -0.07 -1.31 1.30 -2.30 0.04 0.00 0.00 177.00 174.66 3hob n PRO 2300N -3.07 1.21 -3.17 0.56 -0.02 -1.07 -5.00 135.00 124.43 3hob n PRO 2300Ca 0.09 0.47 -0.39 0.00 -2.02 0.00 0.00 63.50 61.65 3hob n PRO 2300Cb 0.53 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 3hob n PRO 2300CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hob s LEU 2301N -4.18 4.42 -0.36 2.45 1.43 0.15 -4.88 118.68 117.71 3hob s LEU 2301Ca 0.81 1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 3hob s LEU 2301Cb -0.39 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 42.88 3hob s LEU 2301CO 0.42 0.09 0.20 -0.76 0.23 0.00 0.00 176.35 176.53 3hob s LEU 2302N -0.17 4.57 -0.01 1.79 1.43 -1.26 -0.14 118.68 124.89 3hob s LEU 2302Ca 0.32 -0.82 -0.27 0.00 -1.03 0.00 0.00 54.13 52.33 3hob s LEU 2302Cb -0.19 -2.04 0.06 0.00 0.03 0.00 0.00 46.19 44.06 3hob s LEU 2302CO 0.18 -0.33 0.60 0.28 0.23 0.00 0.00 176.35 177.31 3hob s THR 2303N 1.59 0.01 -0.17 5.49 -1.32 -0.33 -4.93 115.64 115.98 3hob s THR 2303Ca 0.03 -0.10 -0.05 0.00 -1.21 0.00 0.00 61.69 60.36 3hob s THR 2303Cb -0.18 -0.95 -0.23 0.00 -1.51 0.00 0.00 72.50 69.63 3hob s THR 2303CO 0.07 -0.05 0.15 -1.14 -2.21 0.00 0.00 174.62 171.44 3hob n ARG 2304N 0.74 0.71 -4.92 7.08 0.63 -1.11 -0.13 116.66 119.65 3hob n ARG 2304Ca -0.19 0.24 -0.33 0.00 -0.92 0.00 0.00 57.85 56.66 3hob n ARG 2304Cb 0.58 -1.65 -0.13 0.00 0.45 0.00 0.00 32.46 31.71 3hob n ARG 2304CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3hob s TYR 2305N -2.53 2.67 -0.03 -0.14 1.51 -0.34 -1.08 117.35 117.40 3hob s TYR 2305Ca -0.27 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 55.64 3hob s TYR 2305Cb 0.08 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 3hob s TYR 2305CO 0.70 0.17 -0.12 -1.17 -1.11 0.00 0.00 175.55 174.02 3hob s LEU 2306N -0.73 1.82 -0.03 -1.29 2.96 -0.40 -2.15 118.68 118.87 3hob s LEU 2306Ca 0.11 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 3hob s LEU 2306Cb -0.11 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 45.89 3hob s LEU 2306CO 0.00 0.09 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.81 3hob s ARG 2307N 0.16 1.68 -0.14 1.98 0.52 -0.34 -0.63 118.95 122.18 3hob s ARG 2307Ca -0.04 -0.67 -0.05 0.00 -0.52 0.00 0.00 55.73 54.46 3hob s ARG 2307Cb -0.10 -1.55 -0.03 0.00 0.52 0.00 0.00 34.95 33.79 3hob s ARG 2307CO 0.01 0.36 0.02 0.42 0.02 0.00 0.00 175.30 176.13 3hob s ILE 2308N -0.28 4.45 -0.32 1.52 -1.09 0.21 -1.62 121.20 124.07 3hob s ILE 2308Ca 0.03 -0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.30 3hob s ILE 2308Cb -0.09 -2.94 0.08 0.00 -1.58 0.00 0.00 42.46 37.93 3hob s ILE 2308CO 0.00 0.53 0.02 -1.00 -1.23 0.00 0.00 174.94 173.26 3hob s HIS 2309N -0.14 3.52 0.13 3.97 3.76 0.46 -2.02 115.29 124.97 3hob s HIS 2309Ca 0.05 -2.53 -0.31 0.00 -0.15 0.00 0.00 55.06 52.12 3hob s HIS 2309Cb -0.12 -2.56 -0.10 0.00 1.11 0.00 0.00 32.58 30.90 3hob s HIS 2309CO 0.02 -0.91 1.77 -2.14 -0.85 0.00 0.00 174.74 172.63 3hob s PRO 2310N 1.05 4.15 -0.13 8.40 0.02 -1.26 -0.83 135.00 146.41 3hob s PRO 2310Ca 0.02 2.54 0.12 0.00 0.02 0.00 0.00 61.00 63.70 3hob s PRO 2310Cb -0.20 -3.50 -0.16 0.00 0.02 0.00 0.00 34.50 30.66 3hob s PRO 2310CO -0.05 -0.80 0.05 1.04 -0.33 0.00 0.00 177.00 176.90 3hob n GLN 2311N 5.35 1.87 -3.78 5.54 1.13 0.10 -4.26 117.38 123.32 3hob n GLN 2311Ca 0.17 -0.01 -0.11 0.00 -1.94 0.00 0.00 57.00 55.11 3hob n GLN 2311Cb 0.38 -1.33 -0.08 0.00 0.11 0.00 0.00 30.24 29.32 3hob n GLN 2311CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3hob s SER 2312N -4.59 -0.09 0.09 1.08 1.04 -1.04 -4.86 113.70 105.33 3hob s SER 2312Ca -0.06 -0.22 -0.22 0.00 0.48 0.00 0.00 55.95 55.93 3hob s SER 2312Cb 0.04 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.55 3hob s SER 2312CO 0.53 -0.59 0.54 -1.66 0.98 0.00 0.00 173.24 173.05 3hob s TRP 2313N -2.47 -0.45 -0.23 5.02 -2.14 -1.26 -0.19 118.94 117.23 3hob s TRP 2313Ca -0.06 0.39 -0.08 0.00 2.66 0.00 0.00 56.10 59.01 3hob s TRP 2313Cb -0.01 0.41 -0.04 0.00 -3.10 0.00 0.00 33.47 30.73 3hob s TRP 2313CO -0.03 -0.72 0.10 0.08 -2.66 0.00 0.00 176.95 173.72 3hob s VAL 2314N -3.01 4.83 0.00 -0.66 1.01 -0.18 -4.82 120.40 117.57 3hob s VAL 2314Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3hob s VAL 2314Cb -0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3hob s VAL 2314CO -0.06 0.37 0.00 1.57 0.00 0.00 0.00 175.10 176.98 3hob n HIS 2315N 4.29 0.00 -3.82 5.22 -0.00 -1.26 -2.86 115.22 116.78 3hob n HIS 2315Ca -0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.44 3hob n HIS 2315Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.41 3hob n HIS 2315CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 3hob s GLN 2316N 0.00 0.49 -0.11 1.57 -1.52 -1.26 -5.07 119.66 113.75 3hob s GLN 2316Ca 0.00 -0.20 -0.29 0.00 -1.95 0.00 0.00 55.36 52.92 3hob s GLN 2316Cb 0.00 0.21 -0.05 0.00 -0.22 0.00 0.00 33.01 32.95 3hob s GLN 2316CO 0.00 -0.12 1.81 0.42 -0.25 0.00 0.00 175.29 177.15 3hob s ILE 2317N -1.07 3.39 -0.02 1.08 1.01 -1.26 -3.20 121.20 121.13 3hob s ILE 2317Ca -0.11 0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.98 3hob s ILE 2317Cb -0.06 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 39.07 3hob s ILE 2317CO 0.02 -0.12 0.05 0.00 0.00 0.00 0.00 174.94 174.89 3hob s ALA 2318N 5.20 -0.03 -0.03 9.38 0.00 -1.26 -4.37 121.76 130.65 3hob s ALA 2318Ca 0.81 0.28 0.02 0.00 0.00 0.00 0.00 51.96 53.07 3hob s ALA 2318Cb -0.33 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3hob s ALA 2318CO 0.33 -0.08 -0.07 -1.17 0.00 0.00 0.00 175.76 174.77 3hob s LEU 2319N 0.69 1.67 -0.04 0.00 2.96 -0.77 -3.91 118.68 119.29 3hob s LEU 2319Ca -0.06 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 3hob s LEU 2319Cb -0.08 -0.47 -0.01 0.00 0.50 0.00 0.00 46.19 46.13 3hob s LEU 2319CO -0.02 0.03 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.70 3hob s ARG 2320N 0.38 1.95 0.19 1.98 0.52 -0.53 -1.40 118.95 122.04 3hob s ARG 2320Ca -0.05 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.42 3hob s ARG 2320Cb -0.10 -1.74 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 3hob s ARG 2320CO 0.00 0.35 0.10 0.00 0.02 0.00 0.00 175.30 175.77 3hob s MET 2321N -0.19 1.16 0.04 3.54 0.23 -0.65 -0.44 119.30 123.00 3hob s MET 2321Ca 0.00 -1.60 0.03 0.00 -1.03 0.00 0.00 55.69 53.09 3hob s MET 2321Cb -0.11 0.15 -0.02 0.00 -1.53 0.00 0.00 34.83 33.32 3hob s MET 2321CO 0.02 -0.33 -0.09 -2.00 -2.03 0.00 0.00 175.02 170.58 3hob s GLU 2322N -4.10 0.61 -0.11 3.16 2.56 0.62 -1.13 118.70 120.31 3hob s GLU 2322Ca 0.34 -0.74 -0.02 0.00 0.00 0.00 0.00 54.97 54.56 3hob s GLU 2322Cb 0.07 -0.47 -0.03 0.00 2.00 0.00 0.00 34.13 35.70 3hob s GLU 2322CO 0.09 0.10 -0.02 0.08 -0.56 0.00 0.00 175.26 174.95 3hob s VAL 2323N -1.19 4.08 -0.09 3.70 1.01 -1.26 -0.90 120.40 125.76 3hob s VAL 2323Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3hob s VAL 2323Cb -0.09 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3hob s VAL 2323CO 0.01 0.56 -0.07 -0.76 0.00 0.00 0.00 175.10 174.84 3hob s LEU 2324N -0.44 3.12 0.00 3.92 1.43 0.46 -0.66 118.68 126.52 3hob s LEU 2324Ca 0.07 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3hob s LEU 2324Cb -0.12 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3hob s LEU 2324CO 0.02 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.52 3hob n GLY 2325N 2.58 -0.64 3.37 -3.19 0.00 0.12 -1.44 105.19 105.99 3hob n GLY 2325Ca -0.18 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 3hob n GLY 2325CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hob h GLU 2327N 0.00 0.74 0.00 0.00 4.39 -1.92 -0.42 114.58 117.37 3hob h GLU 2327Ca -0.25 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3hob h GLU 2327Cb 1.06 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 3hob h GLU 2327CO 0.33 0.72 0.00 0.00 -1.16 0.00 0.00 179.01 178.90