#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hob n SER 2175N 0.44 0.17 -4.78 0.00 2.88 -1.22 -4.19 113.62 106.92 3hob n SER 2175Ca 0.27 -1.84 -0.39 0.00 -1.33 0.00 0.00 58.87 55.58 3hob n SER 2175Cb 0.51 -0.11 -0.06 0.00 -0.75 0.00 0.00 64.21 63.80 3hob n SER 2175CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hob s MET 2176N 0.00 4.47 0.25 -1.46 0.00 -1.01 -4.58 119.30 116.97 3hob s MET 2176Ca 0.12 1.05 -0.30 0.00 0.00 0.00 0.00 55.69 56.56 3hob s MET 2176Cb 0.14 -3.26 -0.14 0.00 0.00 0.00 0.00 34.83 31.57 3hob s MET 2176CO -0.06 0.58 1.21 -2.30 0.00 0.00 0.00 175.02 174.46 3hob n PRO 2177N 1.65 1.64 0.00 3.16 -0.02 -1.26 -1.87 135.00 138.29 3hob n PRO 2177Ca -0.07 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.12 3hob n PRO 2177Cb 0.49 -2.10 0.31 0.00 -0.02 0.00 0.00 33.50 32.18 3hob n PRO 2177CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hob n LEU 2178N 1.64 1.55 0.00 2.45 4.77 0.96 -4.89 117.00 123.48 3hob n LEU 2178Ca 0.11 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 3hob n LEU 2178Cb 0.31 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3hob n LEU 2178CO 0.61 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 3hob n GLY 2179N 1.31 1.64 0.23 -0.72 0.00 -1.26 -4.39 105.19 102.00 3hob n GLY 2179Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.48 -0.34 1.61 2.86 -1.86 -0.57 114.93 116.14 3hob h MET 2180Ca 0.00 0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 3hob h MET 2180Cb 0.00 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3hob h MET 2180CO 0.00 -0.18 -0.00 1.49 1.06 0.00 0.00 176.91 179.28 3hob h GLU 2181N -0.80 0.61 0.00 1.72 4.81 -1.83 -3.15 114.58 115.94 3hob h GLU 2181Ca -0.05 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 3hob h GLU 2181Cb 0.53 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 3hob h GLU 2181CO 0.08 0.73 -0.04 0.66 -0.73 0.00 0.00 179.01 179.71 3hob h SER 2182N 0.42 0.00 -0.18 1.04 4.64 -1.95 -3.47 113.55 114.05 3hob h SER 2182Ca 0.10 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 3hob h SER 2182Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3hob h SER 2182CO 0.02 0.04 -0.07 0.29 -0.87 0.00 0.00 176.83 176.24 3hob n LYS 2183N -3.14 -0.27 -0.08 4.77 5.02 -0.33 -4.92 118.16 119.21 3hob n LYS 2183Ca 0.01 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 3hob n LYS 2183Cb 0.38 -4.28 0.29 0.00 -0.02 0.00 0.00 35.03 31.40 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 1.44 -1.98 7.82 0.00 -1.72 -3.36 119.26 121.46 3hob h ALA 2184Ca -0.08 -0.12 -0.60 0.00 0.00 0.00 0.00 54.91 54.11 3hob h ALA 2184Cb 0.25 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 3hob h ALA 2184CO 0.11 0.43 0.58 0.42 0.00 0.00 0.00 179.25 180.80 3hob s ILE 2185N -5.37 4.53 0.70 0.00 1.01 -0.55 -4.99 121.20 116.52 3hob s ILE 2185Ca -0.09 0.95 -0.11 0.00 0.00 0.00 0.00 60.65 61.39 3hob s ILE 2185Cb 0.16 -4.38 0.01 0.00 0.01 0.00 0.00 42.46 38.27 3hob s ILE 2185CO 0.77 -0.69 1.07 -0.94 0.00 0.00 0.00 174.94 175.15 3hob s SER 2186N 2.08 5.25 0.31 3.58 1.04 -1.26 -4.77 113.70 119.94 3hob s SER 2186Ca 0.37 1.69 0.06 0.00 0.48 0.00 0.00 55.95 58.55 3hob s SER 2186Cb -0.11 -2.51 0.72 0.00 0.10 0.00 0.00 66.02 64.22 3hob s SER 2186CO 0.23 -1.53 1.81 0.44 0.98 0.00 0.00 173.24 175.17 3hob h ASP 2187N -0.65 0.79 0.07 7.02 3.45 -1.92 -0.47 116.42 124.70 3hob h ASP 2187Ca -0.44 0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.08 3hob h ASP 2187Cb 1.22 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.91 3hob h ASP 2187CO 0.56 0.34 -0.04 0.00 -1.57 0.00 0.00 179.24 178.53 3hob h ALA 2188N 1.60 1.70 0.00 3.45 0.00 -2.00 -2.44 119.26 121.57 3hob h ALA 2188Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3hob h ALA 2188Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hob h ALA 2188CO -0.31 0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.04 3hob n GLN 2189N -4.16 0.08 -4.38 0.00 6.02 -0.19 -4.72 117.38 110.03 3hob n GLN 2189Ca -0.03 0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.67 3hob n GLN 2189Cb 0.13 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.73 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 -2.91 2.59 0.25 5.09 1.01 -0.92 -0.53 121.20 125.77 3hob s ILE 2190Ca 0.15 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3hob s ILE 2190Cb 0.17 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 3hob s ILE 2190CO 0.47 0.51 0.18 0.42 0.00 0.00 0.00 174.94 176.51 3hob s THR 2191N 0.99 0.02 0.21 2.92 -4.23 -0.56 -4.41 115.64 110.59 3hob s THR 2191Ca -0.02 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.33 3hob s THR 2191Cb -0.15 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.21 3hob s THR 2191CO -0.03 0.00 0.49 0.00 -0.54 0.00 0.00 174.62 174.54 3hob s ALA 2192N -3.91 -0.69 0.35 3.99 0.00 -1.26 -0.73 121.76 119.51 3hob s ALA 2192Ca 0.39 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.96 3hob s ALA 2192Cb 0.05 0.89 0.64 0.00 0.00 0.00 0.00 23.12 24.71 3hob s ALA 2192CO 0.17 -0.81 1.90 0.66 0.00 0.00 0.00 175.76 177.68 3hob h SER 2193N 2.24 0.48 -5.21 0.00 4.64 -1.65 -3.46 113.55 110.58 3hob h SER 2193Ca -0.28 -0.08 0.12 0.00 -0.47 0.00 0.00 61.79 61.08 3hob h SER 2193Cb 1.25 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 3hob h SER 2193CO 0.37 0.52 0.40 -0.94 -0.87 0.00 0.00 176.83 176.32 3hob s SER 2194N -6.74 -0.14 -0.00 4.97 1.04 -1.26 -5.01 113.70 106.57 3hob s SER 2194Ca -0.08 -0.62 -0.19 0.00 0.48 0.00 0.00 55.95 55.54 3hob s SER 2194Cb 0.16 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.92 3hob s SER 2194CO 0.76 -1.16 0.42 -0.72 0.98 0.00 0.00 173.24 173.52 3hob s TYR 2195N -3.09 -0.31 -0.14 5.02 -0.85 -1.26 -4.40 117.35 112.32 3hob s TYR 2195Ca 0.14 0.43 -0.29 0.00 -0.52 0.00 0.00 57.07 56.83 3hob s TYR 2195Cb -0.03 0.20 -0.01 0.00 0.38 0.00 0.00 41.96 42.50 3hob s TYR 2195CO 0.05 -0.50 0.98 0.12 -1.52 0.00 0.00 175.55 174.69 3hob s PHE 2196N -1.71 3.46 -0.01 -3.49 5.36 0.64 -4.08 117.98 118.15 3hob s PHE 2196Ca -0.10 1.51 -0.02 0.00 -0.96 0.00 0.00 56.93 57.36 3hob s PHE 2196Cb -0.03 -3.17 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 3hob s PHE 2196CO 0.03 -0.28 0.04 -0.08 -1.46 0.00 0.00 175.22 173.48 3hob s THR 2197N 2.27 0.01 0.08 0.12 -1.32 -1.26 -0.39 115.64 115.14 3hob s THR 2197Ca 0.46 -0.07 -0.01 0.00 -1.21 0.00 0.00 61.69 60.86 3hob s THR 2197Cb -0.17 -0.09 -0.04 0.00 -1.51 0.00 0.00 72.50 70.68 3hob s THR 2197CO 0.15 -0.04 -0.00 0.20 -2.21 0.00 0.00 174.62 172.71 3hob s ASN 2198N -0.10 0.45 0.32 8.08 0.01 0.84 -4.99 114.94 119.54 3hob s ASN 2198Ca -0.01 -1.07 0.09 0.00 -0.71 0.00 0.00 52.86 51.16 3hob s ASN 2198Cb -0.01 0.23 0.89 0.00 0.41 0.00 0.00 41.25 42.77 3hob s ASN 2198CO 0.00 -0.64 1.71 -0.03 -1.51 0.00 0.00 177.10 176.63 3hob h MET 2199N 3.06 0.49 0.00 -0.60 4.05 -2.05 -3.26 114.93 116.61 3hob h MET 2199Ca -0.34 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.03 3hob h MET 2199Cb 1.16 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.85 3hob h MET 2199CO 0.64 0.32 -1.88 1.19 0.23 0.00 0.00 176.91 177.41 3hob n PHE 2200N -4.95 0.00 -3.80 1.39 3.72 -1.26 -4.98 117.46 107.58 3hob n PHE 2200Ca 0.27 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.54 3hob n PHE 2200Cb 0.77 -0.46 -0.10 0.00 -0.94 0.00 0.00 39.48 38.75 3hob n PHE 2200CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hob s ALA 2201N -3.25 -0.60 -0.13 4.37 0.00 -1.23 -5.05 121.76 115.87 3hob s ALA 2201Ca -0.07 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.21 3hob s ALA 2201Cb 0.12 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.19 3hob s ALA 2201CO 0.78 -0.20 -0.18 0.99 0.00 0.00 0.00 175.76 177.14 3hob s THR 2202N -0.92 1.76 -0.96 0.00 2.01 -1.26 -0.11 115.64 116.15 3hob s THR 2202Ca -0.10 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 3hob s THR 2202Cb -0.05 -1.59 0.31 0.00 0.01 0.00 0.00 72.50 71.18 3hob s THR 2202CO 0.02 0.49 1.46 0.79 -0.69 0.00 0.00 174.62 176.70 3hob n TRP 2203N 4.32 2.75 -2.36 4.92 7.02 0.48 -4.81 117.44 129.76 3hob n TRP 2203Ca -0.19 -2.89 -0.33 0.00 -1.02 0.00 0.00 57.50 53.07 3hob n TRP 2203Cb 0.51 -1.08 -0.02 0.00 -2.42 0.00 0.00 31.31 28.30 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 -1.89 6.35 0.39 -0.99 1.04 -1.26 -2.19 113.70 115.15 3hob s SER 2204Ca 0.37 1.72 0.18 0.00 0.48 0.00 0.00 55.95 58.70 3hob s SER 2204Cb 0.13 -2.53 1.11 0.00 0.10 0.00 0.00 66.02 64.83 3hob s SER 2204CO -0.01 -0.78 1.75 -0.65 0.98 0.00 0.00 173.24 174.53 3hob h PRO 2205N 1.00 0.37 0.00 4.02 0.11 -1.89 0.85 132.00 136.46 3hob h PRO 2205Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hob h PRO 2205Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hob h PRO 2205CO 0.60 0.25 0.00 -1.13 -0.21 0.00 0.00 178.00 177.50 3hob n SER 2206N -4.67 0.00 -0.22 -2.05 3.41 -1.26 -1.83 113.62 107.00 3hob n SER 2206Ca 0.27 0.19 0.14 0.00 -0.26 0.00 0.00 58.87 59.21 3hob n SER 2206Cb 0.92 -0.31 0.62 0.00 -0.26 0.00 0.00 64.21 65.17 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 -1.31 1.06 -1.31 4.33 4.76 0.29 -4.60 118.16 121.37 3hob n LYS 2207Ca 0.04 -0.44 -0.27 0.00 -2.87 0.00 0.00 58.31 54.78 3hob n LYS 2207Cb 0.09 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.70 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 -0.59 6.84 -3.52 7.82 0.00 -0.76 -3.50 120.51 126.80 3hob n ALA 2208Ca 0.17 -2.87 -0.33 0.00 0.00 0.00 0.00 53.44 50.41 3hob n ALA 2208Cb 0.28 -2.70 -0.15 0.00 0.00 0.00 0.00 19.45 16.88 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 0.66 3.23 0.20 0.00 0.52 -1.26 -0.94 118.95 121.37 3hob s ARG 2209Ca 0.65 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 54.83 3hob s ARG 2209Cb 0.27 -2.70 -0.16 0.00 0.52 0.00 0.00 34.95 32.88 3hob s ARG 2209CO -0.07 -0.04 0.89 -0.11 0.02 0.00 0.00 175.30 175.99 3hob n LEU 2210N 4.23 0.54 -0.30 2.53 7.94 -0.06 -1.80 117.00 130.08 3hob n LEU 2210Ca -0.19 1.15 -0.04 0.00 -1.11 0.00 0.00 56.01 55.82 3hob n LEU 2210Cb 0.51 -1.12 -0.02 0.00 0.53 0.00 0.00 43.42 43.32 3hob n LEU 2210CO 0.28 -1.96 -0.04 1.41 -1.11 0.00 0.00 177.39 175.98 3hob n HIS 2211N 0.58 -0.01 -2.04 1.96 8.25 -1.26 -4.68 115.22 118.02 3hob n HIS 2211Ca 0.15 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.21 3hob n HIS 2211Cb 0.26 -2.23 -0.00 0.00 1.12 0.00 0.00 29.99 29.13 3hob n HIS 2211CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hob s LEU 2212N -0.88 4.23 0.22 2.41 2.96 -0.74 -5.03 118.68 121.84 3hob s LEU 2212Ca 0.00 2.68 0.10 0.00 -0.22 0.00 0.00 54.13 56.69 3hob s LEU 2212Cb 0.00 -3.88 -0.05 0.00 0.50 0.00 0.00 46.19 42.77 3hob s LEU 2212CO 0.00 -0.84 -0.19 -1.10 -1.32 0.00 0.00 176.35 172.90 3hob s GLN 2213N -2.21 1.47 0.00 1.98 -1.52 -1.26 -4.90 119.66 113.21 3hob s GLN 2213Ca 0.56 -1.59 0.00 0.00 -1.95 0.00 0.00 55.36 52.38 3hob s GLN 2213Cb -0.39 -1.52 0.00 0.00 -0.22 0.00 0.00 33.01 30.88 3hob s GLN 2213CO 0.50 0.29 0.00 0.41 -0.25 0.00 0.00 175.29 176.24 3hob n GLY 2214N -0.18 0.88 0.23 3.09 0.00 -1.26 -4.85 105.19 103.10 3hob n GLY 2214Ca -0.09 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.70 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 7.57 -0.47 -2.20 1.61 1.12 -1.98 -3.34 114.38 116.68 3hob h ARG 2215Ca 0.00 0.03 -0.60 0.00 -1.11 0.00 0.00 59.98 58.30 3hob h ARG 2215Cb 0.00 0.11 -0.42 0.00 -0.01 0.00 0.00 29.97 29.65 3hob h ARG 2215CO 0.00 -0.16 -0.58 -1.13 -3.11 0.00 0.00 179.97 174.99 3hob n SER 2216N -5.18 3.82 -2.58 -3.80 3.41 -1.26 -4.83 113.62 103.20 3hob n SER 2216Ca -0.10 -3.45 -0.35 0.00 -0.26 0.00 0.00 58.87 54.70 3hob n SER 2216Cb 0.28 -0.67 0.05 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.83 7.44 -3.63 4.04 6.94 -1.26 -4.72 115.26 124.90 3hob n ASN 2217Ca 0.30 -3.71 -0.07 0.00 -0.02 0.00 0.00 54.58 51.08 3hob n ASN 2217Cb 0.41 -1.05 -0.02 0.00 -2.36 0.00 0.00 39.78 36.76 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 -3.61 -1.62 0.03 -2.53 0.00 -1.23 -4.77 121.76 108.03 3hob s ALA 2218Ca 0.56 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 3hob s ALA 2218Cb 0.45 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 24.19 3hob s ALA 2218CO -0.22 -0.88 0.99 -0.46 0.00 0.00 0.00 175.76 175.19 3hob s TRP 2219N -3.44 3.68 -0.03 0.00 -0.00 -0.82 -4.08 118.94 114.27 3hob s TRP 2219Ca 0.08 1.70 0.05 0.00 -0.00 0.00 0.00 56.10 57.93 3hob s TRP 2219Cb -0.02 -3.12 -0.01 0.00 -0.00 0.00 0.00 33.47 30.32 3hob s TRP 2219CO -0.03 -0.02 -0.17 1.03 -0.00 0.00 0.00 176.95 177.75 3hob s ARG 2220N 0.78 1.59 0.84 5.86 0.52 -0.93 -1.85 118.95 125.76 3hob s ARG 2220Ca 0.51 -0.61 -0.12 0.00 -0.52 0.00 0.00 55.73 55.00 3hob s ARG 2220Cb -0.22 -1.45 0.10 0.00 0.52 0.00 0.00 34.95 33.90 3hob s ARG 2220CO 0.29 0.30 1.10 -1.25 0.02 0.00 0.00 175.30 175.75 3hob s PRO 2221N -0.16 1.70 0.29 3.54 0.04 -1.26 -0.26 135.00 138.88 3hob s PRO 2221Ca 0.01 0.71 0.06 0.00 0.04 0.00 0.00 61.00 61.82 3hob s PRO 2221Cb -0.09 -1.87 0.44 0.00 0.04 0.00 0.00 34.50 33.02 3hob s PRO 2221CO 0.01 -1.91 1.70 0.37 0.04 0.00 0.00 177.00 177.21 3hob h GLN 2222N -1.30 0.27 -4.84 4.56 5.75 -1.77 -3.29 115.11 114.48 3hob h GLN 2222Ca -0.48 -0.12 -0.31 0.00 -0.15 0.00 0.00 58.65 57.59 3hob h GLN 2222Cb 1.28 -0.00 -0.19 0.00 1.07 0.00 0.00 27.48 29.63 3hob h GLN 2222CO 0.57 0.63 -0.74 0.14 -2.65 0.00 0.00 178.83 176.79 3hob s VAL 2223N -4.17 0.79 -0.35 2.39 -7.23 -1.26 -4.83 120.40 105.73 3hob s VAL 2223Ca -0.05 -1.41 -0.19 0.00 -1.81 0.00 0.00 61.98 58.52 3hob s VAL 2223Cb 0.13 -1.07 -0.00 0.00 0.56 0.00 0.00 36.38 36.00 3hob s VAL 2223CO 0.77 -0.48 0.56 0.20 -0.31 0.00 0.00 175.10 175.85 3hob s ASN 2224N -2.08 6.36 0.03 4.85 0.01 -1.26 -4.93 114.94 117.92 3hob s ASN 2224Ca -0.01 0.02 -0.27 0.00 -0.71 0.00 0.00 52.86 51.90 3hob s ASN 2224Cb -0.06 -2.29 0.07 0.00 0.41 0.00 0.00 41.25 39.38 3hob s ASN 2224CO -0.00 -0.53 0.63 0.54 -1.51 0.00 0.00 177.10 176.23 3hob s ASN 2225N 1.78 -0.60 0.00 -1.22 2.20 -1.26 -5.04 114.94 110.80 3hob s ASN 2225Ca 0.21 0.40 0.03 0.00 -0.94 0.00 0.00 52.86 52.55 3hob s ASN 2225Cb -0.15 0.55 0.18 0.00 -2.00 0.00 0.00 41.25 39.83 3hob s ASN 2225CO 0.14 -0.75 0.53 -2.65 -2.94 0.00 0.00 177.10 171.43 3hob n PRO 2226N 0.40 0.31 -0.17 3.55 -0.02 -1.26 -2.51 135.00 135.31 3hob n PRO 2226Ca -0.18 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.35 3hob n PRO 2226Cb 0.60 -1.15 0.15 0.00 -0.02 0.00 0.00 33.50 33.08 3hob n PRO 2226CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hob n LYS 2227N -0.65 2.83 -3.07 -0.52 5.02 -1.26 -4.77 118.16 115.74 3hob n LYS 2227Ca 0.02 -2.02 -0.34 0.00 -2.02 0.00 0.00 58.31 53.95 3hob n LYS 2227Cb 0.01 -1.26 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 3hob n LYS 2227CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hob s GLU 2228N -1.00 4.18 -0.01 1.97 0.41 -1.04 -5.00 118.70 118.21 3hob s GLU 2228Ca 0.22 0.84 -0.05 0.00 -0.41 0.00 0.00 54.97 55.58 3hob s GLU 2228Cb 0.12 -2.64 -0.00 0.00 -1.78 0.00 0.00 34.13 29.82 3hob s GLU 2228CO 0.15 0.26 0.09 1.67 -0.49 0.00 0.00 175.26 176.95 3hob s TRP 2229N -1.76 0.04 -0.11 1.61 1.48 -1.26 -3.91 118.94 115.03 3hob s TRP 2229Ca 0.49 -0.09 -0.03 0.00 -1.06 0.00 0.00 56.10 55.41 3hob s TRP 2229Cb -0.14 -0.05 -0.03 0.00 -1.16 0.00 0.00 33.47 32.09 3hob s TRP 2229CO 0.19 -0.20 0.02 -1.17 -4.06 0.00 0.00 176.95 171.73 3hob s LEU 2230N -0.98 3.67 -0.05 -4.66 2.96 -0.84 -1.49 118.68 117.28 3hob s LEU 2230Ca -0.11 0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3hob s LEU 2230Cb -0.06 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.78 3hob s LEU 2230CO 0.01 0.34 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.67 3hob s GLN 2231N -0.66 1.51 -0.10 1.98 0.74 0.09 -0.71 119.66 122.52 3hob s GLN 2231Ca 0.11 -0.44 0.02 0.00 0.05 0.00 0.00 55.36 55.09 3hob s GLN 2231Cb -0.12 -1.31 -0.02 0.00 1.10 0.00 0.00 33.01 32.67 3hob s GLN 2231CO 0.02 0.12 -0.15 0.08 -0.55 0.00 0.00 175.29 174.81 3hob s VAL 2232N 0.33 2.91 -0.35 1.34 1.01 0.09 -1.49 120.40 124.24 3hob s VAL 2232Ca -0.08 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 3hob s VAL 2232Cb -0.12 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.09 3hob s VAL 2232CO 0.02 0.55 0.17 -0.62 0.00 0.00 0.00 175.10 175.22 3hob s ASP 2233N -0.02 5.59 0.13 3.32 3.68 0.31 -0.91 116.67 128.77 3hob s ASP 2233Ca -0.04 -0.86 0.22 0.00 2.13 0.00 0.00 52.55 54.00 3hob s ASP 2233Cb -0.14 -1.99 0.88 0.00 -1.45 0.00 0.00 42.92 40.22 3hob s ASP 2233CO 0.04 -0.31 1.68 0.49 0.13 0.00 0.00 175.17 177.20 3hob n PHE 2234N 4.96 0.47 -1.01 -5.34 3.01 0.39 -4.80 117.46 115.15 3hob n PHE 2234Ca -0.13 0.17 -0.00 0.00 1.01 0.00 0.00 57.45 58.50 3hob n PHE 2234Cb 0.47 -0.77 -0.00 0.00 -0.01 0.00 0.00 39.48 39.17 3hob n PHE 2234CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3hob n GLN 2235N -1.91 -1.19 -3.78 -1.08 6.02 -1.26 -4.91 117.38 109.26 3hob n GLN 2235Ca 0.04 0.31 -0.03 0.00 -0.01 0.00 0.00 57.00 57.31 3hob n GLN 2235Cb 0.26 -4.22 -0.00 0.00 1.02 0.00 0.00 30.24 27.30 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 -1.24 1.18 0.05 -1.09 -2.85 -1.26 -5.14 119.74 109.38 3hob s LYS 2236Ca 0.00 -0.69 -0.30 0.00 -1.00 0.00 0.00 55.97 53.98 3hob s LYS 2236Cb 0.00 0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 3hob s LYS 2236CO 0.00 -0.55 1.13 0.99 0.10 0.00 0.00 175.35 177.03 3hob s THR 2237N -2.88 4.27 0.18 3.79 2.01 -1.26 -4.06 115.64 117.68 3hob s THR 2237Ca 0.15 1.64 0.08 0.00 0.31 0.00 0.00 61.69 63.86 3hob s THR 2237Cb -0.01 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 3hob s THR 2237CO 0.03 0.13 -0.16 -0.04 -0.69 0.00 0.00 174.62 173.89 3hob s MET 2238N 1.01 1.27 -0.39 4.92 1.00 0.83 -3.76 119.30 124.18 3hob s MET 2238Ca 0.57 -1.48 -0.14 0.00 0.00 0.00 0.00 55.69 54.64 3hob s MET 2238Cb -0.27 -1.16 0.02 0.00 0.00 0.00 0.00 34.83 33.42 3hob s MET 2238CO 0.29 0.21 0.27 0.21 0.00 0.00 0.00 175.02 176.00 3hob s LYS 2239N -3.24 3.02 -0.26 2.03 2.20 0.58 -2.25 119.74 121.81 3hob s LYS 2239Ca 0.18 -0.97 -0.09 0.00 -0.36 0.00 0.00 55.97 54.73 3hob s LYS 2239Cb -0.03 -3.89 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 3hob s LYS 2239CO 0.06 -0.69 0.14 0.08 -0.36 0.00 0.00 175.35 174.58 3hob s VAL 2240N 1.66 4.92 -0.15 4.02 1.01 0.22 -1.71 120.40 130.36 3hob s VAL 2240Ca 0.05 0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.17 3hob s VAL 2240Cb -0.19 -3.32 -0.15 0.00 0.00 0.00 0.00 36.38 32.72 3hob s VAL 2240CO 0.09 0.29 0.30 0.35 0.00 0.00 0.00 175.10 176.14 3hob n THR 2241N 4.93 0.00 -3.68 3.92 -2.24 -0.19 -0.35 114.28 116.68 3hob n THR 2241Ca -0.15 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.36 3hob n THR 2241Cb 0.52 0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.91 -0.31 0.06 3.38 0.00 -1.07 0.09 107.32 106.56 3hob s GLY 2242Ca -0.02 0.46 0.05 0.00 0.00 0.00 0.00 44.72 45.21 3hob s GLY 2242CO 0.45 0.10 -0.14 -1.34 0.00 0.00 0.00 173.10 172.17 3hob s VAL 2243N -2.95 1.07 -0.06 1.40 -7.23 -0.02 -0.75 120.40 111.85 3hob s VAL 2243Ca 0.12 -1.23 0.05 0.00 -1.81 0.00 0.00 61.98 59.11 3hob s VAL 2243Cb 0.01 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 3hob s VAL 2243CO -0.01 -0.20 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.47 3hob s THR 2244N -1.20 1.88 0.09 5.32 2.01 -0.63 0.22 115.64 123.33 3hob s THR 2244Ca -0.02 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.08 3hob s THR 2244Cb -0.10 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 3hob s THR 2244CO 0.02 0.52 -0.16 0.42 -0.69 0.00 0.00 174.62 174.73 3hob s THR 2245N -0.02 1.36 0.08 -0.82 -4.23 -0.28 -1.51 115.64 110.22 3hob s THR 2245Ca -0.06 -1.47 0.03 0.00 -1.18 0.00 0.00 61.69 59.01 3hob s THR 2245Cb -0.14 -1.32 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 3hob s THR 2245CO 0.04 -0.21 -0.09 -1.10 -0.54 0.00 0.00 174.62 172.73 3hob s GLN 2246N -1.97 0.74 0.00 3.99 -0.21 0.02 -1.10 119.66 121.12 3hob s GLN 2246Ca 0.03 -1.06 0.00 0.00 0.02 0.00 0.00 55.36 54.35 3hob s GLN 2246Cb -0.09 -0.40 0.00 0.00 1.00 0.00 0.00 33.01 33.52 3hob s GLN 2246CO 0.03 0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.67 3hob n GLY 2247N 0.74 1.01 3.23 3.09 0.00 -1.24 -1.84 105.19 110.17 3hob n GLY 2247Ca -0.18 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 43.94 3hob n GLY 2247CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hob s VAL 2248N 1.31 0.09 -0.26 1.61 0.11 0.87 -4.46 120.40 119.68 3hob s VAL 2248Ca 0.00 -0.78 -0.05 0.00 -2.93 0.00 0.00 61.98 58.22 3hob s VAL 2248Cb 0.00 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 3hob s VAL 2248CO 0.00 -0.43 0.02 -0.75 -3.33 0.00 0.00 175.10 170.61 3hob s LYS 2249N -2.71 3.16 0.00 1.54 2.20 -1.26 0.48 119.74 123.15 3hob s LYS 2249Ca -0.04 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 3hob s LYS 2249Cb -0.00 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3hob s LYS 2249CO -0.04 -0.35 0.00 -1.13 -0.36 0.00 0.00 175.35 173.46 3hob n SER 2250N 4.82 0.00 -0.04 1.43 3.41 0.01 -4.97 113.62 118.27 3hob n SER 2250Ca -0.16 -0.47 -0.17 0.00 -0.26 0.00 0.00 58.87 57.81 3hob n SER 2250Cb 0.49 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 3hob n SER 2250CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hob h LEU 2251N 0.00 0.94 0.00 1.04 3.38 -2.00 -3.40 115.31 115.27 3hob h LEU 2251Ca 0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3hob h LEU 2251Cb 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3hob h LEU 2251CO 0.00 1.39 -0.07 -0.07 0.09 0.00 0.00 178.44 179.77 3hob h LEU 2252N 0.54 0.00 -9.85 1.67 -0.00 -2.02 -3.49 115.31 102.16 3hob h LEU 2252Ca -0.04 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.31 3hob h LEU 2252Cb 1.33 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.93 3hob h LEU 2252CO 0.15 0.14 -0.52 0.42 -0.00 0.00 0.00 178.44 178.63 3hob s THR 2253N -1.22 3.13 0.10 0.22 -4.23 -1.26 -5.14 115.64 107.24 3hob s THR 2253Ca -0.02 -1.63 -0.05 0.00 -1.18 0.00 0.00 61.69 58.81 3hob s THR 2253Cb 0.00 -3.02 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 3hob s THR 2253CO 0.03 -0.18 0.33 -0.94 -0.54 0.00 0.00 174.62 173.32 3hob s SER 2254N -3.87 6.49 -0.03 3.99 1.04 -1.26 -0.81 113.70 119.24 3hob s SER 2254Ca 0.38 0.55 -0.01 0.00 0.48 0.00 0.00 55.95 57.36 3hob s SER 2254Cb -0.03 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 64.04 3hob s SER 2254CO 0.23 0.12 0.06 -0.04 0.98 0.00 0.00 173.24 174.59 3hob s MET 2255N -2.40 0.00 0.04 4.02 -1.94 0.18 -4.67 119.30 114.53 3hob s MET 2255Ca 0.37 0.21 -0.21 0.00 -1.71 0.00 0.00 55.69 54.35 3hob s MET 2255Cb -0.13 -0.19 0.05 0.00 2.01 0.00 0.00 34.83 36.57 3hob s MET 2255CO 0.23 -0.14 0.48 1.52 -0.01 0.00 0.00 175.02 177.10 3hob s TYR 2256N 0.95 -0.37 -0.09 -0.03 -0.85 -1.16 -0.09 117.35 115.71 3hob s TYR 2256Ca -0.08 0.41 -0.21 0.00 -0.52 0.00 0.00 57.07 56.68 3hob s TYR 2256Cb -0.11 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 3hob s TYR 2256CO -0.03 -0.61 0.58 0.08 -1.52 0.00 0.00 175.55 174.05 3hob s VAL 2257N -2.35 5.11 -0.08 -3.49 1.01 -1.25 -0.52 120.40 118.83 3hob s VAL 2257Ca -0.06 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.08 3hob s VAL 2257Cb -0.01 -3.92 -0.26 0.00 0.00 0.00 0.00 36.38 32.19 3hob s VAL 2257CO -0.01 0.30 0.53 0.11 0.00 0.00 0.00 175.10 176.03 3hob h LYS 2258N 6.66 0.23 -3.17 2.72 1.57 -0.72 -0.38 116.57 123.48 3hob h LYS 2258Ca -0.41 -0.39 -0.15 0.00 -1.87 0.00 0.00 60.65 57.83 3hob h LYS 2258Cb 1.19 0.14 -0.23 0.00 0.08 0.00 0.00 32.23 33.41 3hob h LYS 2258CO 0.75 1.07 -0.40 -1.21 -0.57 0.00 0.00 179.45 179.09 3hob s GLU 2259N -2.58 0.41 0.13 3.15 2.02 -1.16 -0.13 118.70 120.54 3hob s GLU 2259Ca -0.16 0.10 -0.09 0.00 0.02 0.00 0.00 54.97 54.84 3hob s GLU 2259Cb 0.07 0.19 -0.01 0.00 0.10 0.00 0.00 34.13 34.48 3hob s GLU 2259CO 0.80 -0.08 0.24 -0.59 0.02 0.00 0.00 175.26 175.65 3hob s PHE 2260N -0.45 0.30 0.32 1.61 -0.12 -0.64 0.47 117.98 119.48 3hob s PHE 2260Ca -0.06 -0.69 0.09 0.00 -0.05 0.00 0.00 56.93 56.22 3hob s PHE 2260Cb -0.04 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 3hob s PHE 2260CO 0.01 -0.64 0.10 -0.51 -0.05 0.00 0.00 175.22 174.13 3hob s LEU 2261N -2.93 3.23 -0.02 -1.99 1.43 0.40 -0.68 118.68 118.12 3hob s LEU 2261Ca 0.12 -0.76 0.06 0.00 -1.03 0.00 0.00 54.13 52.53 3hob s LEU 2261Cb 0.04 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 3hob s LEU 2261CO -0.04 -0.22 -0.22 -0.63 0.23 0.00 0.00 176.35 175.47 3hob s ILE 2262N -2.41 2.44 0.20 -0.59 1.01 -1.26 -0.01 121.20 120.58 3hob s ILE 2262Ca 0.36 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 60.06 3hob s ILE 2262Cb -0.03 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 3hob s ILE 2262CO 0.22 0.56 -0.07 -0.94 0.00 0.00 0.00 174.94 174.71 3hob s SER 2263N -0.72 2.04 0.14 3.58 1.04 -0.33 -1.35 113.70 118.10 3hob s SER 2263Ca 0.11 -1.10 -0.06 0.00 0.48 0.00 0.00 55.95 55.38 3hob s SER 2263Cb -0.10 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 3hob s SER 2263CO -0.00 -0.36 0.19 -0.94 0.98 0.00 0.00 173.24 173.11 3hob s SER 2264N -3.27 0.15 -0.27 7.02 1.04 -0.45 -0.46 113.70 117.46 3hob s SER 2264Ca 0.23 -0.97 -0.24 0.00 0.48 0.00 0.00 55.95 55.46 3hob s SER 2264Cb 0.03 0.37 0.08 0.00 0.10 0.00 0.00 66.02 66.60 3hob s SER 2264CO 0.05 -0.82 0.75 -0.55 0.98 0.00 0.00 173.24 173.65 3hob s SER 2265N -2.98 -0.75 0.08 7.02 0.15 -1.14 -0.78 113.70 115.31 3hob s SER 2265Ca 0.18 1.40 -0.07 0.00 0.70 0.00 0.00 55.95 58.17 3hob s SER 2265Cb 0.05 1.41 -0.24 0.00 -1.71 0.00 0.00 66.02 65.53 3hob s SER 2265CO -0.01 -0.24 1.17 1.56 1.20 0.00 0.00 173.24 176.93 3hob h GLN 2266N 5.22 0.38 -0.00 5.44 1.08 -1.89 -1.71 115.11 123.63 3hob h GLN 2266Ca -0.29 -0.55 0.00 0.00 -1.45 0.00 0.00 58.65 56.36 3hob h GLN 2266Cb 1.17 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 3hob h GLN 2266CO 0.07 1.23 -0.23 -0.40 -0.95 0.00 0.00 178.83 178.54 3hob n ASP 2267N -3.64 0.67 0.00 1.46 5.68 -1.26 -4.68 116.55 114.78 3hob n ASP 2267Ca -0.09 -0.84 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 3hob n ASP 2267Cb 0.97 0.73 0.00 0.00 -1.14 0.00 0.00 41.12 41.69 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 0.97 1.52 0.47 6.12 0.00 -1.26 -4.83 105.19 108.17 3hob n GLY 2268Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 3hob n GLY 2268CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hob n HIS 2269N -2.00 0.00 -3.36 1.61 8.25 -1.26 -4.93 115.22 113.53 3hob n HIS 2269Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3hob n HIS 2269Cb 0.00 -0.43 -0.09 0.00 1.12 0.00 0.00 29.99 30.59 3hob n HIS 2269CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3hob s GLN 2270N -2.22 3.04 -0.11 -0.41 0.74 -1.26 -5.07 119.66 114.37 3hob s GLN 2270Ca -0.16 -0.95 -0.04 0.00 0.05 0.00 0.00 55.36 54.25 3hob s GLN 2270Cb 0.06 -4.01 -0.04 0.00 1.10 0.00 0.00 33.01 30.12 3hob s GLN 2270CO 0.22 -0.88 0.05 -1.58 -0.55 0.00 0.00 175.29 172.56 3hob s TRP 2271N 1.94 3.29 -0.05 1.67 0.52 -1.26 -4.38 118.94 120.68 3hob s TRP 2271Ca 0.09 0.26 0.03 0.00 0.02 0.00 0.00 56.10 56.50 3hob s TRP 2271Cb -0.19 -1.87 0.00 0.00 -1.15 0.00 0.00 33.47 30.26 3hob s TRP 2271CO 0.11 0.49 -0.14 0.99 0.02 0.00 0.00 176.95 178.42 3hob s THR 2272N -0.72 1.22 0.66 2.01 2.01 0.04 -4.93 115.64 115.93 3hob s THR 2272Ca 0.12 -0.57 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 3hob s THR 2272Cb -0.12 -1.08 -0.00 0.00 0.01 0.00 0.00 72.50 71.32 3hob s THR 2272CO 0.02 0.36 1.16 -0.76 -0.69 0.00 0.00 174.62 174.71 3hob s LEU 2273N 0.32 3.45 -0.13 4.42 1.43 -1.26 -1.34 118.68 125.57 3hob s LEU 2273Ca -0.08 2.18 -0.21 0.00 -1.03 0.00 0.00 54.13 54.99 3hob s LEU 2273Cb -0.13 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.48 3hob s LEU 2273CO 0.03 -1.76 0.60 0.12 0.23 0.00 0.00 176.35 175.57 3hob s PHE 2274N -2.05 3.49 0.07 0.29 5.36 -0.46 -4.90 117.98 119.78 3hob s PHE 2274Ca 0.71 1.02 0.05 0.00 -0.96 0.00 0.00 56.93 57.75 3hob s PHE 2274Cb -0.25 -2.72 -0.04 0.00 -0.34 0.00 0.00 43.02 39.67 3hob s PHE 2274CO 0.39 0.02 -0.02 -0.06 -1.46 0.00 0.00 175.22 174.10 3hob s PHE 2275N 1.13 2.95 -0.22 10.12 0.40 -1.26 -1.20 117.98 129.89 3hob s PHE 2275Ca 0.31 -0.03 -0.15 0.00 -0.60 0.00 0.00 56.93 56.46 3hob s PHE 2275Cb -0.16 -1.54 0.07 0.00 0.51 0.00 0.00 43.02 41.89 3hob s PHE 2275CO 0.13 0.46 0.56 -1.14 0.70 0.00 0.00 175.22 175.93 3hob s GLN 2276N -2.13 0.59 -1.30 0.44 0.74 -0.24 -4.80 119.66 112.95 3hob s GLN 2276Ca 0.24 0.96 -0.04 0.00 0.05 0.00 0.00 55.36 56.57 3hob s GLN 2276Cb -0.12 0.13 0.01 0.00 1.10 0.00 0.00 33.01 34.13 3hob s GLN 2276CO 0.16 -0.14 0.96 0.09 -0.55 0.00 0.00 175.29 175.82 3hob n ASN 2277N 3.90 -3.07 -4.48 6.67 3.02 -1.26 -2.87 115.26 117.18 3hob n ASN 2277Ca -0.20 -0.67 -0.40 0.00 -0.03 0.00 0.00 54.58 53.28 3hob n ASN 2277Cb 0.57 -4.70 -0.08 0.00 -0.61 0.00 0.00 39.78 34.96 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 -1.50 -0.33 3.19 7.41 0.00 -1.26 -4.95 105.19 107.75 3hob n GLY 2278Ca -0.19 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -7.24 0.67 0.20 1.61 -2.85 -1.14 -5.12 119.74 105.87 3hob s LYS 2279Ca 0.64 -0.47 -0.32 0.00 -1.00 0.00 0.00 55.97 54.82 3hob s LYS 2279Cb -0.37 0.29 -0.12 0.00 -2.06 0.00 0.00 37.83 35.56 3hob s LYS 2279CO 1.02 -0.19 1.69 0.28 0.10 0.00 0.00 175.35 178.24 3hob n VAL 2280N 0.93 0.00 -2.52 1.79 0.31 -1.26 -1.08 118.33 116.51 3hob n VAL 2280Ca -0.20 -0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.70 3hob n VAL 2280Cb 0.58 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.61 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 1.13 4.25 -0.51 5.55 2.36 -0.34 -4.80 119.74 127.37 3hob s LYS 2281Ca 0.76 1.54 -0.17 0.00 -2.55 0.00 0.00 55.97 55.56 3hob s LYS 2281Cb -0.55 -3.71 0.08 0.00 -1.05 0.00 0.00 37.83 32.60 3hob s LYS 2281CO 0.34 -0.67 0.51 0.08 1.55 0.00 0.00 175.35 177.16 3hob s VAL 2282N 3.36 5.08 0.27 4.02 1.01 -1.26 -4.53 120.40 128.36 3hob s VAL 2282Ca 0.51 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 3hob s VAL 2282Cb -0.19 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.84 3hob s VAL 2282CO 0.11 -0.77 0.92 -0.36 0.00 0.00 0.00 175.10 175.00 3hob s PHE 2283N 2.02 3.83 -0.23 5.22 0.40 0.14 -4.91 117.98 124.46 3hob s PHE 2283Ca 0.08 1.80 -0.16 0.00 -0.60 0.00 0.00 56.93 58.05 3hob s PHE 2283Cb -0.24 -2.92 -0.04 0.00 0.51 0.00 0.00 43.02 40.34 3hob s PHE 2283CO 0.07 0.35 0.39 -0.65 0.70 0.00 0.00 175.22 176.08 3hob s GLN 2284N -1.61 4.12 0.00 0.44 -1.52 -1.26 -1.62 119.66 118.21 3hob s GLN 2284Ca 0.45 0.15 0.00 0.00 -1.95 0.00 0.00 55.36 54.01 3hob s GLN 2284Cb -0.22 -3.58 0.00 0.00 -0.22 0.00 0.00 33.01 28.99 3hob s GLN 2284CO 0.27 -0.12 0.00 0.41 -0.25 0.00 0.00 175.29 175.60 3hob n GLY 2285N 4.17 0.63 3.93 3.09 0.00 0.82 -4.92 105.19 112.91 3hob n GLY 2285Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.63 6.35 0.00 1.61 0.01 -0.15 -4.89 114.94 117.24 3hob s ASN 2286Ca 0.00 0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 3hob s ASN 2286Cb 0.00 -2.02 0.00 0.00 0.41 0.00 0.00 41.25 39.64 3hob s ASN 2286CO 0.00 -0.16 0.34 0.00 -1.51 0.00 0.00 177.10 175.77 3hob n GLN 2287N -1.21 0.98 -3.80 -0.60 6.02 -1.26 -4.35 117.38 113.15 3hob n GLN 2287Ca -0.05 -0.34 -0.10 0.00 -0.01 0.00 0.00 57.00 56.50 3hob n GLN 2287Cb 0.55 -0.83 0.02 0.00 1.02 0.00 0.00 30.24 31.00 3hob n GLN 2287CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3hob n ASP 2288N -0.24 -2.17 -0.08 1.08 3.85 -1.26 -5.06 116.55 112.67 3hob n ASP 2288Ca 0.00 -2.64 0.13 0.00 -0.71 0.00 0.00 54.79 51.57 3hob n ASP 2288Cb 0.01 3.65 0.40 0.00 -1.35 0.00 0.00 41.12 43.84 3hob n ASP 2288CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3hob n SER 2289N -1.54 0.55 0.00 -1.12 3.41 -1.26 -4.04 113.62 109.61 3hob n SER 2289Ca -0.08 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 3hob n SER 2289Cb 0.59 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 3hob n SER 2289CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3hob n PHE 2290N -1.19 0.00 -2.64 7.33 -1.74 -1.26 -3.15 117.46 114.80 3hob n PHE 2290Ca 0.09 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.55 3hob n PHE 2290Cb 0.33 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.30 3hob n PHE 2290CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 3hob s THR 2291N -1.74 4.67 0.19 1.97 2.01 -1.26 -4.91 115.64 116.57 3hob s THR 2291Ca 0.00 1.98 -0.30 0.00 0.31 0.00 0.00 61.69 63.68 3hob s THR 2291Cb 0.00 -4.28 -0.09 0.00 0.01 0.00 0.00 72.50 68.15 3hob s THR 2291CO 0.00 -0.09 1.28 -2.16 -0.69 0.00 0.00 174.62 172.96 3hob s PRO 2292N 2.68 4.41 -0.19 4.92 0.04 -1.26 -4.66 135.00 140.94 3hob s PRO 2292Ca 0.47 2.01 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 3hob s PRO 2292Cb -0.17 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.17 3hob s PRO 2292CO 0.12 -0.22 -0.15 0.08 0.04 0.00 0.00 177.00 176.87 3hob s VAL 2293N 0.09 2.52 -0.07 -0.36 1.01 -0.26 -4.93 120.40 118.39 3hob s VAL 2293Ca 0.56 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 3hob s VAL 2293Cb -0.36 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3hob s VAL 2293CO 0.38 0.50 0.57 -0.69 0.00 0.00 0.00 175.10 175.86 3hob s VAL 2294N 1.25 5.06 -0.09 2.92 1.01 -1.26 -1.12 120.40 128.17 3hob s VAL 2294Ca 0.03 1.17 0.04 0.00 0.00 0.00 0.00 61.98 63.23 3hob s VAL 2294Cb -0.14 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 3hob s VAL 2294CO -0.08 0.34 -0.23 0.20 0.00 0.00 0.00 175.10 175.33 3hob s ASN 2295N 0.39 3.00 0.29 3.32 0.01 0.13 -4.99 114.94 117.09 3hob s ASN 2295Ca 0.31 -0.54 -0.18 0.00 -0.71 0.00 0.00 52.86 51.74 3hob s ASN 2295Cb -0.17 -1.30 -0.09 0.00 0.41 0.00 0.00 41.25 40.10 3hob s ASN 2295CO 0.15 0.16 0.76 -0.44 -1.51 0.00 0.00 177.10 176.22 3hob s SER 2296N 0.30 6.93 -0.34 -1.22 0.01 -1.26 -0.84 113.70 117.27 3hob s SER 2296Ca -0.17 1.39 -0.07 0.00 1.31 0.00 0.00 55.95 58.42 3hob s SER 2296Cb -0.17 -2.41 0.04 0.00 0.21 0.00 0.00 66.02 63.68 3hob s SER 2296CO 0.08 -0.12 0.11 -0.76 0.41 0.00 0.00 173.24 172.96 3hob s LEU 2297N -2.55 4.33 -0.22 2.44 1.43 0.11 -4.89 118.68 119.34 3hob s LEU 2297Ca 0.50 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3hob s LEU 2297Cb -0.13 -1.88 0.05 0.00 0.03 0.00 0.00 46.19 44.27 3hob s LEU 2297CO 0.19 -0.33 -0.06 -0.62 0.23 0.00 0.00 176.35 175.76 3hob s ASP 2298N 1.41 3.56 0.76 2.29 3.68 -1.26 -2.34 116.67 124.77 3hob s ASP 2298Ca -0.01 -1.02 -0.12 0.00 2.13 0.00 0.00 52.55 53.53 3hob s ASP 2298Cb -0.19 -1.12 0.05 0.00 -1.45 0.00 0.00 42.92 40.20 3hob s ASP 2298CO 0.03 -0.21 1.10 -2.84 0.13 0.00 0.00 175.17 173.38 3hob s PRO 2299N 1.45 2.41 0.59 4.34 0.02 -1.26 -4.90 135.00 137.65 3hob s PRO 2299Ca -0.04 0.52 -0.19 0.00 0.02 0.00 0.00 61.00 61.31 3hob s PRO 2299Cb -0.18 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.32 3hob s PRO 2299CO -0.07 -1.36 0.94 -2.30 -0.33 0.00 0.00 177.00 173.88 3hob n PRO 2300N -3.24 0.91 -3.35 5.54 -0.02 -0.99 -4.97 135.00 128.88 3hob n PRO 2300Ca 0.07 0.35 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 3hob n PRO 2300Cb 0.57 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 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 -1.74 4.31 -0.41 2.45 1.43 0.53 -4.86 118.68 120.39 3hob s LEU 2301Ca 0.74 0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 54.58 3hob s LEU 2301Cb -0.43 -2.67 0.07 0.00 0.03 0.00 0.00 46.19 43.19 3hob s LEU 2301CO 0.48 0.06 0.26 -0.76 0.23 0.00 0.00 176.35 176.62 3hob s LEU 2302N 0.33 5.09 0.11 1.79 1.43 -1.26 0.70 118.68 126.87 3hob s LEU 2302Ca 0.25 -1.40 -0.14 0.00 -1.03 0.00 0.00 54.13 51.81 3hob s LEU 2302Cb -0.15 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.09 3hob s LEU 2302CO 0.11 -0.52 0.35 0.28 0.23 0.00 0.00 176.35 176.80 3hob s THR 2303N 1.46 0.09 -0.21 5.49 -1.32 -0.96 -4.94 115.64 115.25 3hob s THR 2303Ca 0.03 -0.72 0.01 0.00 -1.21 0.00 0.00 61.69 59.80 3hob s THR 2303Cb -0.22 -1.19 -0.20 0.00 -1.51 0.00 0.00 72.50 69.38 3hob s THR 2303CO 0.03 -0.40 -0.03 -1.14 -2.21 0.00 0.00 174.62 170.88 3hob n ARG 2304N -0.13 0.68 -4.31 7.08 0.63 -1.18 -0.12 116.66 119.31 3hob n ARG 2304Ca -0.16 0.18 -0.33 0.00 -0.92 0.00 0.00 57.85 56.62 3hob n ARG 2304Cb 0.63 -1.58 -0.09 0.00 0.45 0.00 0.00 32.46 31.87 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 3.10 -0.05 -0.14 1.51 -0.65 -0.46 117.35 118.13 3hob s TYR 2305Ca -0.30 0.11 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 3hob s TYR 2305Cb 0.08 -1.70 0.02 0.00 -0.11 0.00 0.00 41.96 40.25 3hob s TYR 2305CO 0.66 0.46 -0.07 -1.17 -1.11 0.00 0.00 175.55 174.33 3hob s LEU 2306N -1.39 1.47 -0.07 -1.29 2.96 -0.09 -2.88 118.68 117.38 3hob s LEU 2306Ca 0.18 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3hob s LEU 2306Cb -0.11 -0.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.99 3hob s LEU 2306CO 0.08 -0.02 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.86 3hob s ARG 2307N 0.77 2.79 -0.19 1.98 0.52 0.39 -0.73 118.95 124.48 3hob s ARG 2307Ca -0.12 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 54.38 3hob s ARG 2307Cb -0.14 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 3hob s ARG 2307CO 0.01 0.55 0.08 0.42 0.02 0.00 0.00 175.30 176.39 3hob s ILE 2308N -0.53 4.92 -0.45 1.52 -1.09 0.11 -1.19 121.20 124.49 3hob s ILE 2308Ca 0.07 0.02 -0.02 0.00 -2.23 0.00 0.00 60.65 58.49 3hob s ILE 2308Cb -0.12 -3.23 0.12 0.00 -1.58 0.00 0.00 42.46 37.65 3hob s ILE 2308CO 0.02 0.45 0.24 -1.00 -1.23 0.00 0.00 174.94 173.41 3hob s HIS 2309N 0.44 3.55 0.21 3.97 3.76 0.99 -1.99 115.29 126.23 3hob s HIS 2309Ca 0.04 -2.58 -0.32 0.00 -0.15 0.00 0.00 55.06 52.05 3hob s HIS 2309Cb -0.12 -3.17 -0.12 0.00 1.11 0.00 0.00 32.58 30.27 3hob s HIS 2309CO 0.00 -0.93 1.66 -2.30 -0.85 0.00 0.00 174.74 172.32 3hob n PRO 2310N 4.25 2.61 -0.03 8.40 -0.02 -1.25 -0.45 135.00 148.50 3hob n PRO 2310Ca 0.01 0.94 -0.03 0.00 -2.02 0.00 0.00 63.50 62.39 3hob n PRO 2310Cb 0.40 -2.75 -0.04 0.00 -0.02 0.00 0.00 33.50 31.09 3hob n PRO 2310CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hob n GLN 2311N 3.50 2.30 -3.98 -0.52 1.13 0.18 -4.42 117.38 115.57 3hob n GLN 2311Ca 0.15 0.01 -0.08 0.00 -1.94 0.00 0.00 57.00 55.14 3hob n GLN 2311Cb 0.34 -1.15 -0.09 0.00 0.11 0.00 0.00 30.24 29.45 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 -3.98 0.30 0.18 1.08 1.04 -0.97 -4.81 113.70 106.55 3hob s SER 2312Ca -0.05 -0.78 -0.20 0.00 0.48 0.00 0.00 55.95 55.39 3hob s SER 2312Cb 0.02 0.25 0.05 0.00 0.10 0.00 0.00 66.02 66.43 3hob s SER 2312CO 0.22 -0.62 0.58 -1.66 0.98 0.00 0.00 173.24 172.74 3hob s TRP 2313N -3.58 -0.33 -0.20 5.02 -2.14 -1.26 -0.12 118.94 116.32 3hob s TRP 2313Ca 0.03 0.03 -0.05 0.00 2.66 0.00 0.00 56.10 58.78 3hob s TRP 2313Cb 0.05 0.50 -0.02 0.00 -3.10 0.00 0.00 33.47 30.90 3hob s TRP 2313CO -0.09 -0.91 0.01 0.08 -2.66 0.00 0.00 176.95 173.37 3hob s VAL 2314N -3.82 4.01 0.00 -0.66 1.01 0.32 -4.84 120.40 116.42 3hob s VAL 2314Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3hob s VAL 2314Cb -0.01 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.55 3hob s VAL 2314CO -0.07 0.42 0.00 1.41 0.00 0.00 0.00 175.10 176.86 3hob n HIS 2315N 4.30 0.00 -3.90 5.22 8.25 -1.26 -2.97 115.22 124.85 3hob n HIS 2315Ca -0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.20 3hob n HIS 2315Cb 0.52 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.55 3hob n HIS 2315CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3hob s GLN 2316N 0.00 0.82 -0.14 -0.41 -1.52 -1.26 -5.08 119.66 112.06 3hob s GLN 2316Ca 0.00 -1.02 -0.29 0.00 -1.95 0.00 0.00 55.36 52.10 3hob s GLN 2316Cb 0.00 0.32 -0.02 0.00 -0.22 0.00 0.00 33.01 33.09 3hob s GLN 2316CO 0.00 -0.25 1.20 0.42 -0.25 0.00 0.00 175.29 176.42 3hob s ILE 2317N -3.88 4.35 -0.03 1.08 1.01 -1.26 -3.19 121.20 119.29 3hob s ILE 2317Ca 0.06 1.64 -0.06 0.00 0.00 0.00 0.00 60.65 62.30 3hob s ILE 2317Cb 0.05 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.47 3hob s ILE 2317CO -0.10 -0.10 0.14 0.00 0.00 0.00 0.00 174.94 174.88 3hob s ALA 2318N 3.02 -0.33 -0.10 9.38 0.00 -1.26 -4.38 121.76 128.10 3hob s ALA 2318Ca 0.53 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 3hob s ALA 2318Cb -0.21 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 22.89 3hob s ALA 2318CO 0.16 -0.14 0.24 -1.17 0.00 0.00 0.00 175.76 174.85 3hob s LEU 2319N -0.67 0.37 -0.03 0.00 2.96 -0.77 -3.96 118.68 116.58 3hob s LEU 2319Ca -0.08 0.51 0.08 0.00 -0.22 0.00 0.00 54.13 54.42 3hob s LEU 2319Cb -0.05 0.69 -0.02 0.00 0.50 0.00 0.00 46.19 47.32 3hob s LEU 2319CO 0.01 -0.17 -0.26 -0.13 -1.32 0.00 0.00 176.35 174.48 3hob s ARG 2320N 1.37 2.20 0.22 1.98 0.52 -0.77 -1.94 118.95 122.54 3hob s ARG 2320Ca -0.08 -0.92 -0.07 0.00 -0.52 0.00 0.00 55.73 54.13 3hob s ARG 2320Cb -0.11 -2.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 3hob s ARG 2320CO -0.08 0.52 0.32 0.00 0.02 0.00 0.00 175.30 176.07 3hob s MET 2321N -0.51 1.38 0.03 3.54 0.23 -0.12 -0.80 119.30 123.06 3hob s MET 2321Ca 0.07 -1.42 -0.01 0.00 -1.03 0.00 0.00 55.69 53.29 3hob s MET 2321Cb -0.11 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.54 3hob s MET 2321CO 0.00 -0.53 -0.01 -2.00 -2.03 0.00 0.00 175.02 170.45 3hob s GLU 2322N -4.08 0.47 -0.08 3.16 2.56 -0.57 -0.88 118.70 119.27 3hob s GLU 2322Ca 0.30 -0.87 0.03 0.00 0.00 0.00 0.00 54.97 54.43 3hob s GLU 2322Cb 0.03 0.17 -0.02 0.00 2.00 0.00 0.00 34.13 36.31 3hob s GLU 2322CO 0.10 -0.09 -0.17 0.08 -0.56 0.00 0.00 175.26 174.62 3hob s VAL 2323N -2.58 2.71 -0.08 3.70 1.01 -1.26 -1.60 120.40 122.30 3hob s VAL 2323Ca -0.05 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 3hob s VAL 2323Cb -0.02 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3hob s VAL 2323CO -0.05 0.56 -0.05 -0.76 0.00 0.00 0.00 175.10 174.80 3hob s LEU 2324N -0.12 3.29 0.00 3.92 1.43 0.07 -0.03 118.68 127.24 3hob s LEU 2324Ca -0.03 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3hob s LEU 2324Cb -0.14 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3hob s LEU 2324CO 0.04 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.58 3hob n GLY 2325N 2.27 -0.68 3.76 -3.19 0.00 -0.78 -1.02 105.19 105.55 3hob n GLY 2325Ca -0.18 -0.30 -0.00 0.00 0.00 0.00 0.00 46.02 45.54 3hob n GLY 2325CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hob s GLU 2327N -2.50 3.20 0.00 0.00 2.02 -1.26 -0.31 118.70 119.85 3hob s GLU 2327Ca 0.18 1.72 0.28 0.00 0.02 0.00 0.00 54.97 57.17 3hob s GLU 2327Cb 0.01 -1.99 1.12 0.00 0.10 0.00 0.00 34.13 33.37 3hob s GLU 2327CO -0.00 -1.00 1.78 0.00 0.02 0.00 0.00 175.26 176.06