#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hb1 s ARG 269 N 0.00 1.36 -0.21 5.31 0.52 -0.98 -2.68 118.95 122.26 3hb1 s ARG 269 Ca 0.00 -0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 54.46 3hb1 s ARG 269 Cb 0.00 -1.36 -0.00 0.00 0.52 0.00 0.00 34.95 34.11 3hb1 s ARG 269 CO 0.00 0.36 -0.07 0.08 0.02 0.00 0.00 175.30 175.69 3hb1 s VAL 270 N -0.56 3.12 -0.35 3.52 1.01 -0.44 -2.42 120.40 124.28 3hb1 s VAL 270 Ca 0.06 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 3hb1 s VAL 270 Cb -0.07 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 3hb1 s VAL 270 CO 0.00 0.44 0.43 -0.36 0.00 0.00 0.00 175.10 175.62 3hb1 s PHE 271 N 1.44 3.19 -0.43 5.22 0.40 0.08 -1.02 117.98 126.86 3hb1 s PHE 271 Ca 0.06 0.03 -0.14 0.00 -0.60 0.00 0.00 56.93 56.28 3hb1 s PHE 271 Cb -0.14 -2.80 0.05 0.00 0.51 0.00 0.00 43.02 40.64 3hb1 s PHE 271 CO -0.05 -0.50 0.32 0.08 0.70 0.00 0.00 175.22 175.77 3hb1 s VAL 272 N 2.19 5.01 0.09 -0.44 1.01 0.11 0.16 120.40 128.53 3hb1 s VAL 272 Ca 0.15 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3hb1 s VAL 272 Cb -0.16 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3hb1 s VAL 272 CO 0.13 -0.43 0.24 0.26 0.00 0.00 0.00 175.10 175.29 3hb1 s TRP 273 N 1.61 3.51 0.38 5.22 0.52 -0.15 -0.22 118.94 129.81 3hb1 s TRP 273 Ca 0.04 0.23 -0.00 0.00 0.02 0.00 0.00 56.10 56.39 3hb1 s TRP 273 Cb -0.22 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.32 3hb1 s TRP 273 CO 0.07 0.56 0.60 0.34 0.02 0.00 0.00 176.95 178.54 3hb1 s ASP 274 N -2.69 6.24 -0.07 2.95 2.15 -0.57 -1.01 116.67 123.67 3hb1 s ASP 274 Ca 0.35 0.50 -0.06 0.00 0.43 0.00 0.00 52.55 53.77 3hb1 s ASP 274 Cb -0.12 -2.01 -0.02 0.00 -0.30 0.00 0.00 42.92 40.47 3hb1 s ASP 274 CO 0.28 -0.39 -0.12 -0.11 -0.17 0.00 0.00 175.17 174.66 3hb1 n LEU 275 N -1.89 0.72 -4.68 -1.34 7.94 -1.26 -3.92 117.00 112.56 3hb1 n LEU 275 Ca -0.03 0.15 -0.42 0.00 -1.11 0.00 0.00 56.01 54.60 3hb1 n LEU 275 Cb 0.56 -0.59 -0.03 0.00 0.53 0.00 0.00 43.42 43.89 3hb1 n LEU 275 CO 0.49 -0.42 1.38 -1.81 -1.11 0.00 0.00 177.39 175.92 3hb1 s ASP 276 N -4.67 6.57 -1.86 1.96 1.11 -1.26 -1.56 116.67 116.97 3hb1 s ASP 276 Ca -0.10 2.52 0.00 0.00 0.18 0.00 0.00 52.55 55.15 3hb1 s ASP 276 Cb 0.01 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.45 3hb1 s ASP 276 CO 0.15 -0.93 0.00 -0.62 1.18 0.00 0.00 175.17 174.95 3hb1 n GLU 277 N 5.98 -1.26 0.00 8.23 4.71 0.31 -4.75 120.64 133.86 3hb1 n GLU 277 Ca 0.17 1.10 0.00 0.00 -0.01 0.00 0.00 57.16 58.42 3hb1 n GLU 277 Cb 0.40 -5.38 0.00 0.00 -1.01 0.00 0.00 31.44 25.45 3hb1 n GLU 277 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3hb1 n THR 278 N -2.64 0.00 0.04 2.62 -1.04 -1.12 -4.67 114.28 107.48 3hb1 n THR 278 Ca -0.18 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.68 3hb1 n THR 278 Cb 0.59 -0.73 -0.14 0.00 -1.82 0.00 0.00 70.33 68.23 3hb1 n THR 278 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3hb1 h ILE 279 N 0.00 1.08 -3.28 12.58 2.04 -1.40 -3.48 117.51 125.04 3hb1 h ILE 279 Ca 0.00 -2.77 -0.35 0.00 1.00 0.00 0.00 64.86 62.74 3hb1 h ILE 279 Cb 0.00 2.68 -0.15 0.00 -0.74 0.00 0.00 36.82 38.61 3hb1 h ILE 279 CO 0.00 0.78 -0.72 0.27 0.00 0.00 0.00 178.15 178.48 3hb1 s ILE 280 N -2.61 1.29 -0.27 -0.67 -4.36 -0.78 -4.48 121.20 109.30 3hb1 s ILE 280 Ca -0.09 -2.09 -0.03 0.00 -0.26 0.00 0.00 60.65 58.17 3hb1 s ILE 280 Cb 0.07 -1.89 0.03 0.00 1.25 0.00 0.00 42.46 41.92 3hb1 s ILE 280 CO 0.84 -0.71 -0.00 -0.63 0.24 0.00 0.00 174.94 174.67 3hb1 s ILE 281 N -3.25 3.24 0.25 8.37 -1.09 -1.26 0.12 121.20 127.56 3hb1 s ILE 281 Ca 0.18 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 3hb1 s ILE 281 Cb 0.02 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 3hb1 s ILE 281 CO 0.02 0.09 0.00 0.33 -1.23 0.00 0.00 174.94 174.15 3hb1 n PHE 282 N 4.72 -2.62 -0.15 3.97 7.35 -1.26 -4.91 117.46 124.57 3hb1 n PHE 282 Ca -0.15 0.62 0.01 0.00 -0.76 0.00 0.00 57.45 57.17 3hb1 n PHE 282 Cb 0.46 1.46 0.28 0.00 0.35 0.00 0.00 39.48 42.04 3hb1 n PHE 282 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3hb1 h HIS 283 N 0.00 0.82 0.00 -5.13 3.86 -1.98 -1.42 115.15 111.31 3hb1 h HIS 283 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3hb1 h HIS 283 Cb 0.00 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.20 3hb1 h HIS 283 CO 0.00 0.54 0.00 -1.13 0.86 0.00 0.00 177.93 178.20 3hb1 n SER 284 N -4.42 0.11 0.11 2.45 3.41 -1.26 -1.18 113.62 112.84 3hb1 n SER 284 Ca 0.06 0.53 0.01 0.00 -0.26 0.00 0.00 58.87 59.22 3hb1 n SER 284 Cb 0.06 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.45 3hb1 n SER 284 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hb1 h LEU 285 N 0.00 0.00 0.03 1.04 3.38 -1.57 -2.38 115.31 115.81 3hb1 h LEU 285 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 3hb1 h LEU 285 Cb 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3hb1 h LEU 285 CO 0.00 0.55 -1.88 0.18 0.09 0.00 0.00 178.44 177.38 3hb1 n LEU 286 N -3.16 1.25 0.10 1.67 4.77 -0.32 -3.06 117.00 118.24 3hb1 n LEU 286 Ca -0.01 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 3hb1 n LEU 286 Cb 0.77 -0.12 0.27 0.00 -2.33 0.00 0.00 43.42 42.01 3hb1 n LEU 286 CO 0.41 0.53 0.62 0.71 -1.33 0.00 0.00 177.39 178.33 3hb1 h THR 287 N 0.02 0.00 0.00 -5.08 1.35 -1.47 -3.48 112.91 104.25 3hb1 h THR 287 Ca -0.36 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 3hb1 h THR 287 Cb 2.04 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 3hb1 h THR 287 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 3hb1 n GLY 288 N 1.29 2.88 0.33 5.82 0.00 -1.09 -4.88 105.19 109.54 3hb1 n GLY 288 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.24 3hb1 n GLY 288 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hb1 h THR 289 N 0.00 0.32 0.46 2.61 1.35 -1.92 -2.00 112.91 113.74 3hb1 h THR 289 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 3hb1 h THR 289 Cb 0.00 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 3hb1 h THR 289 CO 0.00 0.00 -0.22 0.15 -0.25 0.00 0.00 175.52 175.20 3hb1 h PHE 290 N 0.00 -0.58 -0.86 4.73 3.57 -1.77 -1.13 116.94 120.90 3hb1 h PHE 290 Ca 0.04 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.68 3hb1 h PHE 290 Cb 0.30 0.19 -0.10 0.00 2.79 0.00 0.00 35.95 39.13 3hb1 h PHE 290 CO 0.00 -0.34 0.44 0.00 -2.23 0.00 0.00 178.31 176.18 3hb1 h ALA 291 N -1.12 1.31 0.10 2.41 0.00 -1.65 -0.57 119.26 119.74 3hb1 h ALA 291 Ca -0.06 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hb1 h ALA 291 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hb1 h ALA 291 CO 0.10 -0.11 -0.05 0.66 0.00 0.00 0.00 179.25 179.86 3hb1 h SER 292 N 0.61 -0.11 0.21 0.00 4.64 -1.43 0.18 113.55 117.65 3hb1 h SER 292 Ca 0.48 -0.38 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 3hb1 h SER 292 Cb 0.70 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3hb1 h SER 292 CO -0.38 0.34 -0.08 -0.09 -0.87 0.00 0.00 176.83 175.75 3hb1 h ARG 293 N -0.59 0.00 -0.22 4.77 2.43 -0.74 -2.93 114.38 117.10 3hb1 h ARG 293 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hb1 h ARG 293 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3hb1 h ARG 293 CO 0.02 0.08 0.00 0.66 -1.51 0.00 0.00 179.97 179.22 3hb1 n TYR 294 N -3.78 0.29 -3.54 2.20 4.02 -0.26 -5.02 117.16 111.07 3hb1 n TYR 294 Ca -0.02 -0.47 -0.24 0.00 -0.01 0.00 0.00 57.90 57.16 3hb1 n TYR 294 Cb 0.18 -0.03 0.05 0.00 -0.02 0.00 0.00 39.34 39.52 3hb1 n TYR 294 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hb1 n GLY 295 N 0.20 -0.90 3.54 2.72 0.00 -0.14 -5.01 105.19 105.60 3hb1 n GLY 295 Ca 0.08 0.43 -0.24 0.00 0.00 0.00 0.00 46.02 46.28 3hb1 n GLY 295 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hb1 s LYS 296 N -5.43 1.86 -0.18 1.61 3.01 -0.14 -5.04 119.74 115.42 3hb1 s LYS 296 Ca 0.36 -1.75 -0.29 0.00 -1.01 0.00 0.00 55.97 53.29 3hb1 s LYS 296 Cb -0.09 -1.84 -0.05 0.00 -1.01 0.00 0.00 37.83 34.84 3hb1 s LYS 296 CO 0.81 0.27 1.94 0.34 0.51 0.00 0.00 175.35 179.22 3hb1 s ASP 297 N -3.59 5.97 0.28 2.83 2.15 -1.26 -4.65 116.67 118.40 3hb1 s ASP 297 Ca 0.31 1.89 0.01 0.00 0.43 0.00 0.00 52.55 55.20 3hb1 s ASP 297 Cb -0.03 -2.52 0.55 0.00 -0.30 0.00 0.00 42.92 40.62 3hb1 s ASP 297 CO 0.17 -1.55 1.83 0.71 -0.17 0.00 0.00 175.17 176.16 3hb1 h THR 298 N 6.51 0.91 -0.31 1.71 1.35 -1.97 -1.85 112.91 119.27 3hb1 h THR 298 Ca -0.40 -0.34 -0.07 0.00 -0.55 0.00 0.00 66.41 65.06 3hb1 h THR 298 Cb 1.20 -0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 3hb1 h THR 298 CO 0.98 0.18 -0.06 0.74 -0.25 0.00 0.00 175.52 177.10 3hb1 h THR 299 N 0.98 1.28 -0.62 6.82 2.02 -1.99 -2.58 112.91 118.82 3hb1 h THR 299 Ca 0.50 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 3hb1 h THR 299 Cb 0.50 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 3hb1 h THR 299 CO -0.27 0.35 0.35 0.74 0.37 0.00 0.00 175.52 177.06 3hb1 h THR 300 N 0.36 1.19 0.52 3.16 2.02 -1.87 -2.08 112.91 116.20 3hb1 h THR 300 Ca 0.08 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3hb1 h THR 300 Cb 0.55 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3hb1 h THR 300 CO 0.03 0.20 -0.25 0.28 0.37 0.00 0.00 175.52 176.15 3hb1 h SER 301 N 0.86 -0.59 -0.73 4.18 0.02 -1.06 -2.58 113.55 113.65 3hb1 h SER 301 Ca 0.22 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 3hb1 h SER 301 Cb 0.01 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 3hb1 h SER 301 CO -0.04 -0.39 0.30 -0.37 -1.14 0.00 0.00 176.83 175.20 3hb1 h VAL 302 N -0.75 1.25 -0.63 2.27 -1.51 -1.39 -0.23 116.25 115.26 3hb1 h VAL 302 Ca -0.07 -0.76 0.11 0.00 -1.23 0.00 0.00 66.70 64.74 3hb1 h VAL 302 Cb 0.56 0.39 -0.08 0.00 -2.13 0.00 0.00 31.29 30.03 3hb1 h VAL 302 CO 0.12 0.31 0.20 -0.09 -1.23 0.00 0.00 177.57 176.88 3hb1 h ARG 303 N 1.04 0.35 -0.11 5.19 2.43 -1.33 0.43 114.38 122.38 3hb1 h ARG 303 Ca 0.24 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 3hb1 h ARG 303 Cb 0.19 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3hb1 h ARG 303 CO -0.02 0.23 -0.13 0.82 -1.51 0.00 0.00 179.97 179.36 3hb1 h ILE 304 N 0.36 1.37 -0.39 1.20 2.04 -1.24 -1.61 117.51 119.24 3hb1 h ILE 304 Ca 0.33 -1.33 0.08 0.00 1.00 0.00 0.00 64.86 64.94 3hb1 h ILE 304 Cb 0.45 1.99 -0.09 0.00 -0.74 0.00 0.00 36.82 38.44 3hb1 h ILE 304 CO -0.36 0.38 -0.23 1.23 0.00 0.00 0.00 178.15 179.17 3hb1 h GLY 305 N -0.13 -0.01 0.94 5.37 0.00 0.05 0.33 103.07 109.62 3hb1 h GLY 305 Ca 0.01 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 3hb1 h GLY 305 CO 0.03 -0.20 0.16 1.41 0.00 0.00 0.00 176.54 177.94 3hb1 h LEU 306 N -0.17 0.50 -1.02 3.11 3.38 -0.20 0.64 115.31 121.56 3hb1 h LEU 306 Ca 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hb1 h LEU 306 Cb 0.46 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3hb1 h LEU 306 CO -0.49 0.51 0.41 0.24 0.09 0.00 0.00 178.44 179.20 3hb1 h MET 307 N 0.46 1.10 -0.14 1.13 2.86 -0.44 0.15 114.93 120.04 3hb1 h MET 307 Ca 0.13 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3hb1 h MET 307 Cb 0.16 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 3hb1 h MET 307 CO -0.01 0.82 -0.05 0.52 1.06 0.00 0.00 176.91 179.25 3hb1 h MET 308 N 1.10 0.28 -0.75 1.72 2.86 -0.08 -2.15 114.93 117.92 3hb1 h MET 308 Ca 0.28 -0.11 0.11 0.00 -2.06 0.00 0.00 59.70 57.92 3hb1 h MET 308 Cb 0.05 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.62 3hb1 h MET 308 CO -0.04 0.58 0.36 1.49 1.06 0.00 0.00 176.91 180.36 3hb1 h GLU 309 N -0.04 0.55 -0.26 1.72 4.81 -0.56 0.49 114.58 121.29 3hb1 h GLU 309 Ca 0.03 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3hb1 h GLU 309 Cb 0.49 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.67 3hb1 h GLU 309 CO 0.02 0.37 -0.19 1.49 -0.73 0.00 0.00 179.01 179.96 3hb1 h GLU 310 N 0.57 -0.17 0.00 1.92 4.57 -0.44 -2.02 114.58 119.01 3hb1 h GLU 310 Ca 0.39 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.49 3hb1 h GLU 310 Cb 0.48 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3hb1 h GLU 310 CO -0.32 -0.12 -0.43 0.52 -1.18 0.00 0.00 179.01 177.49 3hb1 h MET 311 N -0.18 0.00 0.29 1.92 2.86 -0.59 -1.92 114.93 117.31 3hb1 h MET 311 Ca 0.14 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3hb1 h MET 311 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3hb1 h MET 311 CO -0.37 0.43 -0.14 0.82 1.06 0.00 0.00 176.91 178.71 3hb1 h ILE 312 N 0.00 0.00 -0.33 -1.22 1.08 -0.26 -2.12 117.51 114.67 3hb1 h ILE 312 Ca -0.00 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 3hb1 h ILE 312 Cb 0.79 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 3hb1 h ILE 312 CO 0.06 0.00 0.22 -0.26 -0.69 0.00 0.00 178.15 177.47 3hb1 h PHE 313 N -0.46 0.38 -0.57 1.37 0.05 -1.49 -0.20 116.94 116.02 3hb1 h PHE 313 Ca -0.04 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.74 3hb1 h PHE 313 Cb 0.30 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 38.10 3hb1 h PHE 313 CO 0.12 0.23 0.28 -0.97 -0.18 0.00 0.00 178.31 177.79 3hb1 h ASN 314 N 0.40 0.74 0.13 2.17 -0.73 -1.38 -0.40 115.58 116.51 3hb1 h ASN 314 Ca 0.12 -0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 3hb1 h ASN 314 Cb 0.01 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.41 3hb1 h ASN 314 CO -0.03 0.66 -0.06 0.25 -0.37 0.00 0.00 177.43 177.88 3hb1 h LEU 315 N 0.77 -0.15 -0.25 0.34 6.46 -0.47 -0.11 115.31 121.90 3hb1 h LEU 315 Ca 0.20 -0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.81 3hb1 h LEU 315 Cb 0.11 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.03 3hb1 h LEU 315 CO -0.03 0.12 -0.11 0.00 -0.62 0.00 0.00 178.44 177.81 3hb1 h ALA 316 N 0.39 0.10 0.24 1.25 0.00 -0.93 0.14 119.26 120.45 3hb1 h ALA 316 Ca -0.02 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hb1 h ALA 316 Cb 0.34 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hb1 h ALA 316 CO 0.03 -0.52 -0.12 -0.44 0.00 0.00 0.00 179.25 178.21 3hb1 h ASP 317 N -0.07 -0.27 -0.78 0.00 3.32 -1.07 0.38 116.42 117.94 3hb1 h ASP 317 Ca 0.13 0.01 0.18 0.00 0.02 0.00 0.00 57.03 57.37 3hb1 h ASP 317 Cb 0.27 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 3hb1 h ASP 317 CO -0.29 -0.18 0.53 0.74 -1.72 0.00 0.00 179.24 178.31 3hb1 h THR 318 N -0.35 0.72 0.00 0.35 2.02 -0.97 -3.28 112.91 111.40 3hb1 h THR 318 Ca -0.03 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3hb1 h THR 318 Cb 0.25 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3hb1 h THR 318 CO 0.05 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.41 3hb1 n HIS 319 N -4.44 0.00 -1.50 3.16 8.25 0.47 -4.83 115.22 116.33 3hb1 n HIS 319 Ca 0.16 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.68 3hb1 n HIS 319 Cb 0.65 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.92 3hb1 n HIS 319 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hb1 n LEU 320 N -0.65 2.39 -4.29 2.41 4.77 0.13 -4.89 117.00 116.87 3hb1 n LEU 320 Ca 0.00 -3.42 -0.36 0.00 -0.03 0.00 0.00 56.01 52.20 3hb1 n LEU 320 Cb 0.00 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 3hb1 n LEU 320 CO 0.00 1.09 -0.18 0.49 -1.33 0.00 0.00 177.39 177.46 3hb1 n PHE 321 N -1.08 -1.48 0.08 -1.77 3.01 -1.07 -4.83 117.46 110.31 3hb1 n PHE 321 Ca 0.17 0.73 -0.03 0.00 1.01 0.00 0.00 57.45 59.33 3hb1 n PHE 321 Cb 0.70 -2.74 0.21 0.00 -0.01 0.00 0.00 39.48 37.64 3hb1 n PHE 321 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3hb1 h PHE 322 N -1.43 0.34 -0.78 1.38 3.57 -1.63 0.13 116.94 118.52 3hb1 h PHE 322 Ca -0.61 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 60.85 3hb1 h PHE 322 Cb 1.39 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 40.01 3hb1 h PHE 322 CO 0.61 0.66 0.51 -0.91 -2.23 0.00 0.00 178.31 176.95 3hb1 h ASN 323 N 0.24 0.78 1.08 0.41 2.35 -1.84 0.50 115.58 119.10 3hb1 h ASN 323 Ca 0.02 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.59 3hb1 h ASN 323 Cb 0.83 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 3hb1 h ASN 323 CO 0.07 0.52 -0.95 0.44 -1.65 0.00 0.00 177.43 175.86 3hb1 h ASP 324 N 0.90 0.00 -0.01 5.81 3.45 -1.77 -3.38 116.42 121.43 3hb1 h ASP 324 Ca 0.32 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.78 3hb1 h ASP 324 Cb 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3hb1 h ASP 324 CO -0.10 0.79 -0.39 0.18 -1.57 0.00 0.00 179.24 178.14 3hb1 n LEU 325 N -3.23 1.15 0.06 1.55 4.77 -0.03 -4.54 117.00 116.72 3hb1 n LEU 325 Ca -0.02 -0.67 0.21 0.00 -0.03 0.00 0.00 56.01 55.50 3hb1 n LEU 325 Cb 0.87 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.68 3hb1 n LEU 325 CO 0.44 0.24 1.19 -0.08 -1.33 0.00 0.00 177.39 177.85 3hb1 h GLU 326 N 0.97 0.00 0.15 3.23 4.81 -0.19 -2.56 114.58 120.99 3hb1 h GLU 326 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3hb1 h GLU 326 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3hb1 h GLU 326 CO 0.00 0.00 -0.07 0.38 -0.73 0.00 0.00 179.01 178.59 3hb1 h ASP 327 N 0.00 -0.17 -4.21 1.04 3.04 -1.82 -3.47 116.42 110.83 3hb1 h ASP 327 Ca 0.23 0.01 -0.52 0.00 -3.24 0.00 0.00 57.03 53.50 3hb1 h ASP 327 Cb 1.27 0.04 0.15 0.00 -1.04 0.00 0.00 39.33 39.75 3hb1 h ASP 327 CO -0.00 0.29 0.35 0.00 -2.04 0.00 0.00 179.24 177.84 3hb1 n ASP 329 N -3.02 2.25 -4.75 0.00 9.92 -1.26 -4.97 116.55 114.72 3hb1 n ASP 329 Ca 0.12 -3.11 -0.41 0.00 -0.53 0.00 0.00 54.79 50.86 3hb1 n ASP 329 Cb 0.51 -0.66 -0.04 0.00 -0.64 0.00 0.00 41.12 40.29 3hb1 n ASP 329 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 3hb1 s GLN 330 N -1.80 4.53 -0.15 -1.24 2.00 -1.26 -4.57 119.66 117.18 3hb1 s GLN 330 Ca 0.36 1.88 -0.27 0.00 -2.00 0.00 0.00 55.36 55.33 3hb1 s GLN 330 Cb 0.13 -3.21 -0.25 0.00 0.80 0.00 0.00 33.01 30.49 3hb1 s GLN 330 CO -0.07 0.01 0.65 0.82 -0.50 0.00 0.00 175.29 176.20 3hb1 h ILE 331 N 3.45 1.59 -3.45 -2.34 2.04 -1.98 -3.38 117.51 113.44 3hb1 h ILE 331 Ca -0.46 -2.32 -0.45 0.00 1.00 0.00 0.00 64.86 62.64 3hb1 h ILE 331 Cb 1.21 3.13 -0.18 0.00 -0.74 0.00 0.00 36.82 40.24 3hb1 h ILE 331 CO 0.71 0.55 -0.76 -2.28 0.00 0.00 0.00 178.15 176.36 3hb1 s HIS 332 N -2.26 1.56 0.07 1.37 5.04 -1.26 -1.48 115.29 118.33 3hb1 s HIS 332 Ca -0.21 -0.53 -0.27 0.00 -1.54 0.00 0.00 55.06 52.51 3hb1 s HIS 332 Cb -0.01 -0.79 -0.17 0.00 0.04 0.00 0.00 32.58 31.65 3hb1 s HIS 332 CO 0.67 0.21 1.63 -0.39 -2.34 0.00 0.00 174.74 174.53 3hb1 h VAL 333 N 3.37 0.74 0.00 0.89 -1.51 -1.86 -3.04 116.25 114.84 3hb1 h VAL 333 Ca -0.41 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3hb1 h VAL 333 Cb 1.20 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 3hb1 h VAL 333 CO 0.52 0.02 0.00 0.47 -1.23 0.00 0.00 177.57 177.35 3hb1 n ASP 334 N -5.23 1.80 -0.10 4.19 8.00 -1.26 -4.02 116.55 119.94 3hb1 n ASP 334 Ca -0.10 -1.43 0.14 0.00 0.71 0.00 0.00 54.79 54.11 3hb1 n ASP 334 Cb 0.19 -0.36 0.55 0.00 -0.02 0.00 0.00 41.12 41.48 3hb1 n ASP 334 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hb1 n ASP 335 N 0.52 0.45 0.00 -2.24 8.00 -1.15 -3.93 116.55 118.21 3hb1 n ASP 335 Ca 0.00 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.08 3hb1 n ASP 335 Cb 0.31 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3hb1 n ASP 335 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3hb1 n VAL 336 N -1.07 0.42 -0.38 2.53 0.24 -1.26 -4.86 118.33 113.96 3hb1 n VAL 336 Ca 0.12 -0.44 0.32 0.00 -2.04 0.00 0.00 64.34 62.30 3hb1 n VAL 336 Cb 0.30 0.83 0.65 0.00 -1.47 0.00 0.00 33.84 34.15 3hb1 n VAL 336 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3hb1 h SER 337 N 0.00 0.22 -0.63 -1.34 4.64 -1.84 -0.21 113.55 114.39 3hb1 h SER 337 Ca 0.00 0.06 0.14 0.00 -0.47 0.00 0.00 61.79 61.52 3hb1 h SER 337 Cb 0.73 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 3hb1 h SER 337 CO 0.00 -0.01 0.43 0.77 -0.87 0.00 0.00 176.83 177.15 3hb1 h SER 338 N 0.16 0.21 -0.85 4.97 4.64 -1.89 -1.87 113.55 118.92 3hb1 h SER 338 Ca 0.66 0.01 -0.48 0.00 -0.47 0.00 0.00 61.79 61.51 3hb1 h SER 338 Cb 2.18 -0.03 -0.19 0.00 -0.31 0.00 0.00 62.40 64.04 3hb1 h SER 338 CO -0.20 0.11 0.56 0.47 -0.87 0.00 0.00 176.83 176.90 3hb1 n ASP 339 N -4.43 6.83 -4.68 4.97 10.43 -0.09 -4.91 116.55 124.67 3hb1 n ASP 339 Ca 0.11 -3.32 -0.30 0.00 2.57 0.00 0.00 54.79 53.86 3hb1 n ASP 339 Cb 0.54 -1.09 -0.10 0.00 1.84 0.00 0.00 41.12 42.32 3hb1 n ASP 339 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3hb1 s ASP 340 N -0.31 3.99 0.00 -2.24 2.15 -0.70 -2.99 116.67 116.57 3hb1 s ASP 340 Ca 0.47 -1.46 0.06 0.00 0.43 0.00 0.00 52.55 52.05 3hb1 s ASP 340 Cb 0.35 -0.08 0.01 0.00 -0.30 0.00 0.00 42.92 42.90 3hb1 s ASP 340 CO -0.09 -0.60 0.50 0.59 -0.17 0.00 0.00 175.17 175.40 3hb1 n ASN 341 N -1.09 0.99 -1.93 -0.34 4.13 -1.26 -4.95 115.26 110.81 3hb1 n ASN 341 Ca -0.10 -1.00 -0.19 0.00 1.68 0.00 0.00 54.58 54.97 3hb1 n ASN 341 Cb 0.67 0.40 -0.04 0.00 -1.54 0.00 0.00 39.78 39.27 3hb1 n ASN 341 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hb1 n GLY 342 N 0.64 0.39 3.75 7.41 0.00 -1.26 -4.94 105.19 111.18 3hb1 n GLY 342 Ca 0.02 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3hb1 n GLY 342 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hb1 s GLN 343 N -4.48 4.16 -0.46 1.61 -0.44 -1.26 -5.02 119.66 113.77 3hb1 s GLN 343 Ca 0.00 0.10 -0.29 0.00 -2.50 0.00 0.00 55.36 52.67 3hb1 s GLN 343 Cb 0.00 -3.39 -0.09 0.00 -1.64 0.00 0.00 33.01 27.89 3hb1 s GLN 343 CO 0.00 0.33 2.36 -3.47 0.50 0.00 0.00 175.29 175.01 3hb1 n ASP 344 N 3.28 2.24 0.15 6.67 2.03 -1.26 -4.83 116.55 124.83 3hb1 n ASP 344 Ca -0.13 -0.07 0.13 0.00 0.52 0.00 0.00 54.79 55.24 3hb1 n ASP 344 Cb 0.52 -1.43 0.36 0.00 -0.72 0.00 0.00 41.12 39.85 3hb1 n ASP 344 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3hb1 h LEU 345 N 16.15 0.00 -0.85 -2.67 3.38 -1.98 -3.31 115.31 126.03 3hb1 h LEU 345 Ca -0.26 0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.92 3hb1 h LEU 345 Cb 1.28 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.88 3hb1 h LEU 345 CO 1.11 0.00 0.08 0.77 0.09 0.00 0.00 178.44 180.49 3hb1 h SER 346 N 0.00 -0.27 -2.25 -0.43 4.64 -2.03 -0.02 113.55 113.19 3hb1 h SER 346 Ca 0.00 0.22 -0.79 0.00 -0.47 0.00 0.00 61.79 60.75 3hb1 h SER 346 Cb 0.78 0.35 -0.23 0.00 -0.31 0.00 0.00 62.40 62.99 3hb1 h SER 346 CO 0.00 -0.21 1.30 0.35 -0.87 0.00 0.00 176.83 177.40 3hb1 n THR 347 N -5.34 5.16 -3.79 2.95 -2.24 -1.25 -4.93 114.28 104.85 3hb1 n THR 347 Ca 0.18 -5.39 -0.13 0.00 -2.27 0.00 0.00 64.05 56.45 3hb1 n THR 347 Cb 0.60 -2.09 -0.09 0.00 -2.10 0.00 0.00 70.33 66.65 3hb1 n THR 347 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3hb1 s TYR 348 N -1.97 -0.16 -0.28 4.78 5.04 -0.02 -5.05 117.35 119.68 3hb1 s TYR 348 Ca 0.36 0.29 -0.04 0.00 -2.44 0.00 0.00 57.07 55.24 3hb1 s TYR 348 Cb 0.09 0.07 0.02 0.00 0.35 0.00 0.00 41.96 42.49 3hb1 s TYR 348 CO 0.03 -0.32 0.02 1.21 -1.34 0.00 0.00 175.55 175.15 3hb1 s ASN 349 N -1.03 4.80 0.06 4.32 3.84 -1.26 -5.00 114.94 120.68 3hb1 s ASN 349 Ca -0.11 -0.87 -0.04 0.00 0.21 0.00 0.00 52.86 52.05 3hb1 s ASN 349 Cb -0.05 -1.78 -0.28 0.00 -0.55 0.00 0.00 41.25 38.59 3hb1 s ASN 349 CO 0.03 -0.19 1.08 -0.26 -2.79 0.00 0.00 177.10 174.98 3hb1 h PHE 350 N 8.12 0.47 -0.17 0.43 -1.00 -2.01 -3.32 116.94 119.46 3hb1 h PHE 350 Ca -0.30 -0.34 -0.09 0.00 2.81 0.00 0.00 57.97 60.05 3hb1 h PHE 350 Cb 1.11 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.64 3hb1 h PHE 350 CO 0.60 1.29 -0.29 0.66 -1.61 0.00 0.00 178.31 178.96 3hb1 h SER 351 N 0.07 0.32 -3.58 2.17 4.64 -2.01 -3.33 113.55 111.84 3hb1 h SER 351 Ca -0.15 -0.11 -0.80 0.00 -0.47 0.00 0.00 61.79 60.26 3hb1 h SER 351 Cb 1.98 -0.09 -0.28 0.00 -0.31 0.00 0.00 62.40 63.70 3hb1 h SER 351 CO 0.19 0.61 0.44 0.00 -0.87 0.00 0.00 176.83 177.19 3hb1 s ALA 352 N -4.41 4.72 0.00 5.18 0.00 -1.25 -4.15 121.76 121.85 3hb1 s ALA 352 Ca -0.06 -3.83 0.00 0.00 0.00 0.00 0.00 51.96 48.08 3hb1 s ALA 352 Cb 0.14 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3hb1 s ALA 352 CO 0.77 -2.20 0.00 -0.40 0.00 0.00 0.00 175.76 173.92 3hb1 n ASP 353 N 2.75 0.00 -4.11 0.00 5.75 -1.25 -4.82 116.55 114.86 3hb1 n ASP 353 Ca 0.23 -0.60 -0.29 0.00 -0.01 0.00 0.00 54.79 54.12 3hb1 n ASP 353 Cb 0.39 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.44 3hb1 n ASP 353 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hb1 n GLY 354 N 0.00 -0.24 3.83 6.12 0.00 -1.26 -4.95 105.19 108.69 3hb1 n GLY 354 Ca 0.00 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3hb1 n GLY 354 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hb1 s PHE 355 N -3.91 3.63 0.00 1.61 2.19 -1.26 -5.14 117.98 115.09 3hb1 s PHE 355 Ca 0.17 1.22 0.00 0.00 0.33 0.00 0.00 56.93 58.65 3hb1 s PHE 355 Cb -0.09 -2.49 0.00 0.00 -1.31 0.00 0.00 43.02 39.13 3hb1 s PHE 355 CO 0.93 0.39 0.00 -2.39 1.83 0.00 0.00 175.22 175.98 3hb1 n HIS 356 N 0.78 0.00 0.00 10.12 1.44 -1.26 -5.05 115.22 121.25 3hb1 n HIS 356 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 3hb1 n HIS 356 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 3hb1 n HIS 356 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3hb1 n GLY 372 N -0.66 0.00 0.24 -1.39 0.00 -1.26 -4.94 105.19 97.17 3hb1 n GLY 372 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3hb1 n GLY 372 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hb1 h GLY 373 N 0.00 0.00 1.96 -0.02 0.00 -2.04 -1.24 103.07 101.72 3hb1 h GLY 373 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3hb1 h GLY 373 CO 0.00 0.00 -0.55 -2.08 0.00 0.00 0.00 176.54 173.91 3hb1 h VAL 374 N 0.00 1.39 0.17 4.60 2.07 -2.01 0.78 116.25 123.25 3hb1 h VAL 374 Ca 0.00 -1.88 -0.27 0.00 0.82 0.00 0.00 66.70 65.37 3hb1 h VAL 374 Cb 0.58 2.00 0.02 0.00 -1.52 0.00 0.00 31.29 32.37 3hb1 h VAL 374 CO 0.00 0.54 -1.27 0.44 0.02 0.00 0.00 177.57 177.30 3hb1 h ASP 375 N 0.04 0.57 -0.29 0.57 3.32 -1.82 -1.85 116.42 116.94 3hb1 h ASP 375 Ca -0.00 -0.92 0.06 0.00 0.02 0.00 0.00 57.03 56.19 3hb1 h ASP 375 Cb 0.98 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.29 3hb1 h ASP 375 CO 0.07 1.59 -0.07 -0.25 -1.72 0.00 0.00 179.24 178.86 3hb1 h TRP 376 N -0.15 -0.16 -0.43 4.55 7.01 -1.09 0.64 115.95 126.32 3hb1 h TRP 376 Ca -0.24 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.77 3hb1 h TRP 376 Cb 1.87 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 29.03 3hb1 h TRP 376 CO 0.15 -0.13 0.21 0.52 -2.79 0.00 0.00 178.44 176.41 3hb1 h MET 377 N 0.00 0.62 -0.08 2.65 2.86 -0.93 0.17 114.93 120.21 3hb1 h MET 377 Ca 0.14 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3hb1 h MET 377 Cb 0.21 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 3hb1 h MET 377 CO -0.30 0.52 0.08 0.00 1.06 0.00 0.00 176.91 178.27 3hb1 h ARG 378 N 0.55 0.00 0.03 1.72 -0.00 -0.30 0.39 114.38 116.76 3hb1 h ARG 378 Ca 0.15 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.54 3hb1 h ARG 378 Cb 0.11 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.08 3hb1 h ARG 378 CO -0.02 0.00 -0.34 0.87 0.00 0.00 0.00 179.97 180.48 3hb1 h LYS 379 N 0.00 0.18 -0.06 0.04 1.57 0.21 -2.37 116.57 116.15 3hb1 h LYS 379 Ca 0.04 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3hb1 h LYS 379 Cb 0.20 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3hb1 h LYS 379 CO -0.00 1.02 0.04 1.25 -0.57 0.00 0.00 179.45 181.18 3hb1 h LEU 380 N -0.54 0.07 -1.85 2.94 5.85 0.40 0.45 115.31 122.62 3hb1 h LEU 380 Ca -0.05 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hb1 h LEU 380 Cb 1.16 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3hb1 h LEU 380 CO 0.07 0.06 0.15 0.00 -0.34 0.00 0.00 178.44 178.38 3hb1 h ALA 381 N 1.01 1.96 -0.03 1.25 0.00 -0.38 -2.04 119.26 121.03 3hb1 h ALA 381 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hb1 h ALA 381 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hb1 h ALA 381 CO -0.00 0.01 -0.02 0.74 0.00 0.00 0.00 179.25 179.97 3hb1 h PHE 382 N 0.20 0.07 -0.52 0.00 0.05 -0.73 -1.79 116.94 114.22 3hb1 h PHE 382 Ca 0.09 -0.02 0.09 0.00 3.82 0.00 0.00 57.97 61.95 3hb1 h PHE 382 Cb 0.12 -0.02 -0.11 0.00 2.00 0.00 0.00 35.95 37.95 3hb1 h PHE 382 CO -0.00 0.50 -0.33 0.00 -0.18 0.00 0.00 178.31 178.29 3hb1 h ARG 383 N -0.37 -0.19 -0.70 1.51 2.47 -0.27 0.70 114.38 117.53 3hb1 h ARG 383 Ca 0.01 0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.68 3hb1 h ARG 383 Cb 0.48 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.81 3hb1 h ARG 383 CO 0.01 -0.13 0.19 1.88 0.56 0.00 0.00 179.97 182.48 3hb1 h TYR 384 N -0.20 1.14 -0.09 3.04 -1.99 -1.41 -0.60 116.97 116.87 3hb1 h TYR 384 Ca 0.21 -0.12 -0.08 0.00 2.00 0.00 0.00 58.73 60.74 3hb1 h TYR 384 Cb 0.55 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 3hb1 h TYR 384 CO -0.60 0.92 -0.29 -0.09 -0.00 0.00 0.00 178.16 178.09 3hb1 h ARG 385 N 1.05 0.17 0.69 4.88 2.43 -0.59 0.81 114.38 123.81 3hb1 h ARG 385 Ca 0.22 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3hb1 h ARG 385 Cb 0.33 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3hb1 h ARG 385 CO -0.00 0.46 -0.33 -0.09 -1.51 0.00 0.00 179.97 178.49 3hb1 h ARG 386 N 0.15 -0.89 -0.59 0.20 9.65 -0.35 0.35 114.38 122.91 3hb1 h ARG 386 Ca 0.02 0.06 0.11 0.00 -1.10 0.00 0.00 59.98 59.08 3hb1 h ARG 386 Cb 0.61 0.20 -0.09 0.00 -1.39 0.00 0.00 29.97 29.30 3hb1 h ARG 386 CO 0.04 -0.56 0.09 0.28 2.80 0.00 0.00 179.97 182.62 3hb1 h VAL 387 N -1.10 0.60 -0.79 0.20 2.07 -0.93 -0.88 116.25 115.43 3hb1 h VAL 387 Ca -0.09 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3hb1 h VAL 387 Cb 0.74 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3hb1 h VAL 387 CO 0.15 0.04 0.49 0.50 0.02 0.00 0.00 177.57 178.78 3hb1 h LYS 388 N 0.21 0.92 -0.57 1.57 3.64 -0.68 0.06 116.57 121.72 3hb1 h LYS 388 Ca 0.31 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 3hb1 h LYS 388 Cb 0.47 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3hb1 h LYS 388 CO -0.43 0.61 0.09 0.93 -2.27 0.00 0.00 179.45 178.38 3hb1 h GLU 389 N 0.95 0.91 -0.10 1.90 5.08 0.39 -2.43 114.58 121.28 3hb1 h GLU 389 Ca 0.33 -0.22 -0.21 0.00 -1.00 0.00 0.00 59.36 58.26 3hb1 h GLU 389 Cb 0.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3hb1 h GLU 389 CO -0.13 0.85 -0.79 0.52 -1.00 0.00 0.00 179.01 178.45 3hb1 h MET 390 N 0.86 0.59 -0.50 2.33 2.86 -0.67 -2.69 114.93 117.71 3hb1 h MET 390 Ca 0.18 -0.50 0.03 0.00 -2.06 0.00 0.00 59.70 57.34 3hb1 h MET 390 Cb 0.38 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 3hb1 h MET 390 CO 0.01 1.13 0.29 -0.92 1.06 0.00 0.00 176.91 178.47 3hb1 h TYR 391 N 0.39 0.53 0.00 -0.22 3.20 -0.84 0.13 116.97 120.17 3hb1 h TYR 391 Ca -0.05 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.75 3hb1 h TYR 391 Cb 1.40 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 3hb1 h TYR 391 CO 0.07 0.29 -0.41 -0.91 -1.64 0.00 0.00 178.16 175.56 3hb1 h ASN 392 N 0.57 0.00 0.58 -2.11 2.35 -1.43 0.11 115.58 115.64 3hb1 h ASN 392 Ca 0.21 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.84 3hb1 h ASN 392 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3hb1 h ASN 392 CO -0.11 0.41 -1.52 0.35 -1.65 0.00 0.00 177.43 174.91 3hb1 n THR 393 N -3.60 0.89 0.57 2.81 -2.24 -1.02 -4.34 114.28 107.35 3hb1 n THR 393 Ca -0.00 -0.65 0.07 0.00 -2.27 0.00 0.00 64.05 61.20 3hb1 n THR 393 Cb 0.52 -0.50 0.04 0.00 -2.10 0.00 0.00 70.33 68.29 3hb1 n THR 393 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3hb1 n TYR 394 N -2.72 0.00 0.25 4.78 4.02 0.44 -4.59 117.16 119.34 3hb1 n TYR 394 Ca -0.09 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 57.97 3hb1 n TYR 394 Cb 0.76 0.00 0.90 0.00 -0.02 0.00 0.00 39.34 40.98 3hb1 n TYR 394 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3hb1 h LYS 395 N 2.35 0.00 -0.05 -0.72 2.10 -0.95 -0.20 116.57 119.10 3hb1 h LYS 395 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 3hb1 h LYS 395 Cb 0.54 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 3hb1 h LYS 395 CO 0.00 0.00 -0.22 0.09 -2.00 0.00 0.00 179.45 177.32 3hb1 n ASN 396 N -3.67 2.18 -2.70 7.07 3.02 -1.26 -4.01 115.26 115.89 3hb1 n ASN 396 Ca -0.00 -3.50 -0.07 0.00 -0.03 0.00 0.00 54.58 50.98 3hb1 n ASN 396 Cb 0.24 -0.50 0.12 0.00 -0.61 0.00 0.00 39.78 39.03 3hb1 n ASN 396 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3hb1 n ASN 397 N -1.22 -1.84 -0.29 6.41 5.15 -0.13 -5.00 115.26 118.35 3hb1 n ASN 397 Ca 0.19 -2.51 0.10 0.00 -0.60 0.00 0.00 54.58 51.76 3hb1 n ASN 397 Cb 0.71 1.01 0.26 0.00 -0.53 0.00 0.00 39.78 41.23 3hb1 n ASN 397 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3hb1 h VAL 398 N 2.06 0.54 -0.65 3.44 2.07 -1.73 0.44 116.25 122.42 3hb1 h VAL 398 Ca -0.27 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.21 3hb1 h VAL 398 Cb 1.29 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3hb1 h VAL 398 CO -0.05 0.08 0.43 1.23 0.02 0.00 0.00 177.57 179.28 3hb1 h GLY 399 N 0.41 0.67 2.00 2.17 0.00 -1.89 0.92 103.07 107.36 3hb1 h GLY 399 Ca 0.50 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 3hb1 h GLY 399 CO -0.49 0.11 -0.13 -1.33 0.00 0.00 0.00 176.54 174.70 3hb1 h GLY 400 N 0.47 0.00 0.47 4.60 0.00 -0.42 -1.57 103.07 106.62 3hb1 h GLY 400 Ca 0.30 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.28 3hb1 h GLY 400 CO -0.09 0.00 -1.96 -0.10 0.00 0.00 0.00 176.54 174.39 3hb1 n LEU 401 N -3.64 2.56 -0.10 3.11 7.94 0.21 -4.46 117.00 122.63 3hb1 n LEU 401 Ca -0.02 0.21 0.12 0.00 -1.11 0.00 0.00 56.01 55.21 3hb1 n LEU 401 Cb 0.25 -1.08 0.26 0.00 0.53 0.00 0.00 43.42 43.38 3hb1 n LEU 401 CO 0.30 0.79 0.49 2.30 -1.11 0.00 0.00 177.39 180.16 3hb1 n ILE 402 N -3.60 0.00 0.00 1.96 -5.35 -0.58 -5.07 119.36 106.72 3hb1 n ILE 402 Ca -0.34 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 3hb1 n ILE 402 Cb 1.00 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 3hb1 n ILE 402 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hb1 n GLY 403 N 1.44 1.42 0.11 3.28 0.00 -0.60 -4.55 105.19 106.29 3hb1 n GLY 403 Ca 0.08 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 3hb1 n GLY 403 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hb1 h THR 404 N 0.00 0.92 -0.16 2.61 2.02 -1.97 -2.28 112.91 114.05 3hb1 h THR 404 Ca 0.00 -1.37 0.05 0.00 0.77 0.00 0.00 66.41 65.86 3hb1 h THR 404 Cb 0.00 1.62 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 3hb1 h THR 404 CO 0.00 0.27 -0.25 1.55 0.37 0.00 0.00 175.52 177.46 3hb1 h PRO 405 N -0.91 -0.29 -0.71 6.66 0.13 -1.97 -1.97 132.00 132.94 3hb1 h PRO 405 Ca -0.01 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 3hb1 h PRO 405 Cb 0.54 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 3hb1 h PRO 405 CO 0.02 -0.20 0.47 0.87 -0.23 0.00 0.00 178.00 178.93 3hb1 h LYS 406 N -0.30 0.78 -0.10 0.86 1.57 -1.80 -2.91 116.57 114.67 3hb1 h LYS 406 Ca 0.11 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3hb1 h LYS 406 Cb 0.47 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3hb1 h LYS 406 CO -0.33 0.52 -0.06 -0.09 -0.57 0.00 0.00 179.45 178.91 3hb1 h ARG 407 N 0.80 -0.06 -0.77 3.15 2.43 -0.74 -0.56 114.38 118.63 3hb1 h ARG 407 Ca 0.29 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3hb1 h ARG 407 Cb 0.14 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 3hb1 h ARG 407 CO -0.09 -0.04 0.44 0.93 -1.51 0.00 0.00 179.97 179.70 3hb1 h GLU 408 N -0.06 1.06 -0.61 0.20 5.08 -1.32 0.16 114.58 119.09 3hb1 h GLU 408 Ca 0.06 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3hb1 h GLU 408 Cb 0.15 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3hb1 h GLU 408 CO -0.14 0.77 0.38 1.15 -1.00 0.00 0.00 179.01 180.18 3hb1 h THR 409 N 1.06 1.09 -0.02 1.13 2.02 -1.39 0.21 112.91 117.02 3hb1 h THR 409 Ca 0.27 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3hb1 h THR 409 Cb 0.01 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3hb1 h THR 409 CO -0.05 0.14 -0.01 -0.25 0.37 0.00 0.00 175.52 175.73 3hb1 h TRP 410 N 0.76 -0.01 -0.23 3.16 7.01 -0.18 0.73 115.95 127.18 3hb1 h TRP 410 Ca 0.24 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 3hb1 h TRP 410 Cb -0.01 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 3hb1 h TRP 410 CO -0.05 -0.01 0.14 -0.07 -2.79 0.00 0.00 178.44 175.66 3hb1 h LEU 411 N -0.00 0.28 -1.23 0.65 3.38 -0.25 0.71 115.31 118.85 3hb1 h LEU 411 Ca 0.01 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.02 3hb1 h LEU 411 Cb 0.02 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3hb1 h LEU 411 CO -0.02 0.25 0.56 1.56 0.09 0.00 0.00 178.44 180.88 3hb1 h GLN 412 N 0.29 0.84 -0.14 1.13 1.08 -0.28 -0.01 115.11 118.02 3hb1 h GLN 412 Ca 0.08 -0.05 -0.23 0.00 -1.45 0.00 0.00 58.65 57.01 3hb1 h GLN 412 Cb 0.02 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 27.27 3hb1 h GLN 412 CO -0.02 0.56 -0.80 1.25 -0.95 0.00 0.00 178.83 178.87 3hb1 h LEU 413 N 0.87 0.93 -0.50 1.46 5.85 -0.29 -2.72 115.31 120.90 3hb1 h LEU 413 Ca 0.40 -0.62 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3hb1 h LEU 413 Cb 0.38 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3hb1 h LEU 413 CO -0.16 1.42 0.27 0.03 -0.34 0.00 0.00 178.44 179.66 3hb1 h ARG 414 N 0.53 0.71 -0.21 1.25 2.47 -0.15 -1.90 114.38 117.08 3hb1 h ARG 414 Ca -0.06 -0.09 0.03 0.00 -1.26 0.00 0.00 59.98 58.60 3hb1 h ARG 414 Cb 1.43 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.58 3hb1 h ARG 414 CO 0.16 0.56 0.04 0.00 0.56 0.00 0.00 179.97 181.29 3hb1 h ALA 415 N 1.11 0.21 0.04 0.04 0.00 -0.99 -1.03 119.26 118.64 3hb1 h ALA 415 Ca 0.18 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hb1 h ALA 415 Cb 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hb1 h ALA 415 CO -0.03 -0.39 -0.05 0.93 0.00 0.00 0.00 179.25 179.71 3hb1 h GLU 416 N 0.12 -0.11 -0.70 0.00 5.08 -1.33 -2.52 114.58 115.12 3hb1 h GLU 416 Ca 0.09 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.56 3hb1 h GLU 416 Cb 0.09 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 3hb1 h GLU 416 CO -0.13 -0.07 0.32 1.25 -1.00 0.00 0.00 179.01 179.38 3hb1 h LEU 417 N -0.11 0.39 -1.63 1.33 5.85 -1.16 0.12 115.31 120.09 3hb1 h LEU 417 Ca 0.01 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3hb1 h LEU 417 Cb 0.11 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3hb1 h LEU 417 CO -0.02 0.21 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.11 3hb1 h GLU 418 N 0.54 0.10 0.21 1.25 4.57 -0.93 0.16 114.58 120.48 3hb1 h GLU 418 Ca 0.35 -0.02 -0.32 0.00 -1.18 0.00 0.00 59.36 58.20 3hb1 h GLU 418 Cb 0.42 -0.02 0.03 0.00 -0.16 0.00 0.00 28.75 29.02 3hb1 h GLU 418 CO -0.30 0.22 -1.40 0.00 -1.18 0.00 0.00 179.01 176.35 3hb1 h ALA 419 N 1.80 -0.09 -0.32 2.92 0.00 -0.78 -0.37 119.26 122.41 3hb1 h ALA 419 Ca 0.02 -0.84 -0.12 0.00 0.00 0.00 0.00 54.91 53.97 3hb1 h ALA 419 Cb 0.25 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hb1 h ALA 419 CO 0.02 0.73 -0.31 1.25 0.00 0.00 0.00 179.25 180.94 3hb1 h LEU 420 N 0.17 0.70 -1.62 0.00 5.85 -0.21 -2.96 115.31 117.25 3hb1 h LEU 420 Ca -0.23 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3hb1 h LEU 420 Cb 2.09 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.93 3hb1 h LEU 420 CO 0.26 0.96 0.00 0.35 -0.34 0.00 0.00 178.44 179.67 3hb1 n THR 421 N -4.08 0.43 -3.64 1.05 -2.24 0.50 -4.96 114.28 101.33 3hb1 n THR 421 Ca -0.01 -0.54 -0.26 0.00 -2.27 0.00 0.00 64.05 60.97 3hb1 n THR 421 Cb 0.47 0.49 0.04 0.00 -2.10 0.00 0.00 70.33 69.23 3hb1 n THR 421 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hb1 n ASP 422 N 0.80 -4.08 -1.66 3.42 8.00 -1.06 -3.04 116.55 118.93 3hb1 n ASP 422 Ca 0.17 -0.92 -0.16 0.00 0.71 0.00 0.00 54.79 54.59 3hb1 n ASP 422 Cb 0.42 -3.79 -0.02 0.00 -0.02 0.00 0.00 41.12 37.70 3hb1 n ASP 422 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hb1 n LEU 423 N -4.08 -1.58 0.25 0.64 4.77 -0.17 -4.96 117.00 111.87 3hb1 n LEU 423 Ca -0.16 0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.75 3hb1 n LEU 423 Cb 0.62 -2.34 -0.09 0.00 -2.33 0.00 0.00 43.42 39.29 3hb1 n LEU 423 CO 0.67 -0.33 0.52 -0.25 -1.33 0.00 0.00 177.39 176.67 3hb1 h TRP 424 N 0.00 -1.23 -0.86 -1.77 2.91 -1.79 0.38 115.95 113.58 3hb1 h TRP 424 Ca -0.36 0.01 0.08 0.00 1.13 0.00 0.00 58.89 59.75 3hb1 h TRP 424 Cb 1.22 0.48 -0.07 0.00 -0.51 0.00 0.00 29.16 30.28 3hb1 h TRP 424 CO 0.43 -0.58 0.52 1.25 -1.03 0.00 0.00 178.44 179.02 3hb1 h LEU 425 N -0.87 0.77 -0.67 0.65 5.85 -1.91 0.17 115.31 119.30 3hb1 h LEU 425 Ca -0.05 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3hb1 h LEU 425 Cb 0.76 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 3hb1 h LEU 425 CO -0.06 0.46 0.38 0.74 -0.34 0.00 0.00 178.44 179.61 3hb1 h THR 426 N 0.89 0.97 -0.09 1.05 2.02 -1.87 0.28 112.91 116.15 3hb1 h THR 426 Ca 0.40 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 3hb1 h THR 426 Cb 0.30 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3hb1 h THR 426 CO -0.22 0.13 -0.03 0.45 0.37 0.00 0.00 175.52 176.22 3hb1 h HIS 427 N 0.69 0.21 -0.39 3.16 3.86 0.11 -2.43 115.15 120.36 3hb1 h HIS 427 Ca 0.30 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.41 3hb1 h HIS 427 Cb 0.18 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 3hb1 h HIS 427 CO -0.08 0.52 0.01 0.66 0.86 0.00 0.00 177.93 179.91 3hb1 h SER 428 N -0.16 0.58 -0.38 2.45 4.64 -0.43 -2.13 113.55 118.12 3hb1 h SER 428 Ca 0.02 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 3hb1 h SER 428 Cb 0.46 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3hb1 h SER 428 CO 0.01 0.65 0.08 -0.07 -0.87 0.00 0.00 176.83 176.63 3hb1 h LEU 429 N 0.59 0.66 -0.39 5.97 3.38 -0.39 -1.15 115.31 123.97 3hb1 h LEU 429 Ca 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hb1 h LEU 429 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3hb1 h LEU 429 CO 0.01 0.67 0.22 0.11 0.09 0.00 0.00 178.44 179.54 3hb1 h LYS 430 N 0.68 0.55 0.12 1.13 1.79 -0.88 0.44 116.57 120.39 3hb1 h LYS 430 Ca 0.15 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 3hb1 h LYS 430 Cb 0.30 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3hb1 h LYS 430 CO 0.00 0.44 -0.06 0.00 -1.08 0.00 0.00 179.45 178.75 3hb1 h ALA 431 N 1.08 -0.17 -0.24 3.86 0.00 -1.13 -1.11 119.26 121.55 3hb1 h ALA 431 Ca 0.14 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hb1 h ALA 431 Cb 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3hb1 h ALA 431 CO -0.02 -0.60 0.00 -0.07 0.00 0.00 0.00 179.25 178.56 3hb1 h LEU 432 N -0.17 -0.09 -1.69 0.00 3.38 -0.95 -1.56 115.31 114.23 3hb1 h LEU 432 Ca -0.01 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3hb1 h LEU 432 Cb 0.14 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hb1 h LEU 432 CO 0.02 -0.01 -0.17 0.78 0.09 0.00 0.00 178.44 179.15 3hb1 h ASN 433 N 0.08 0.00 -0.50 -0.43 2.35 -0.82 -0.15 115.58 116.11 3hb1 h ASN 433 Ca 0.11 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 3hb1 h ASN 433 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3hb1 h ASN 433 CO -0.19 0.17 0.01 0.25 -1.65 0.00 0.00 177.43 176.02 3hb1 h LEU 434 N 0.00 0.86 -0.82 1.61 5.85 -0.26 -1.98 115.31 120.57 3hb1 h LEU 434 Ca -0.00 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.30 3hb1 h LEU 434 Cb 0.31 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3hb1 h LEU 434 CO 0.02 0.95 -0.36 0.40 -0.34 0.00 0.00 178.44 179.12 3hb1 h ILE 435 N 0.74 1.29 0.00 4.05 1.08 -0.56 -2.88 117.51 121.24 3hb1 h ILE 435 Ca 0.14 -1.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.15 3hb1 h ILE 435 Cb 0.50 1.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 3hb1 h ILE 435 CO 0.02 0.46 0.00 -3.20 -0.69 0.00 0.00 178.15 174.74 3hb1 n ASN 436 N -4.06 0.00 -0.18 1.72 5.15 -0.15 -2.67 115.26 115.07 3hb1 n ASN 436 Ca -0.01 0.95 0.30 0.00 -0.60 0.00 0.00 54.58 55.21 3hb1 n ASN 436 Cb 0.47 -0.45 0.69 0.00 -0.53 0.00 0.00 39.78 39.96 3hb1 n ASN 436 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3hb1 h SER 437 N 0.00 0.00 -2.47 1.20 4.64 -1.44 -3.39 113.55 112.09 3hb1 h SER 437 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3hb1 h SER 437 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3hb1 h SER 437 CO 0.00 0.00 1.17 -0.13 -0.87 0.00 0.00 176.83 177.00 3hb1 s ARG 438 N -4.72 4.16 0.22 4.77 0.52 -1.09 -4.89 118.95 117.92 3hb1 s ARG 438 Ca -0.04 2.43 -0.11 0.00 -0.52 0.00 0.00 55.73 57.49 3hb1 s ARG 438 Cb 0.19 -4.09 0.30 0.00 0.52 0.00 0.00 34.95 31.87 3hb1 s ARG 438 CO 0.65 -0.91 1.65 -1.00 0.02 0.00 0.00 175.30 175.71 3hb1 h PRO 439 N 10.16 0.08 -0.42 3.54 0.13 -1.85 -2.96 132.00 140.68 3hb1 h PRO 439 Ca -0.45 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 3hb1 h PRO 439 Cb 1.21 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 3hb1 h PRO 439 CO 0.95 0.05 0.04 0.09 -0.23 0.00 0.00 178.00 178.89 3hb1 n ASN 440 N -5.34 3.06 -4.27 1.44 3.02 -1.26 -4.96 115.26 106.96 3hb1 n ASN 440 Ca 0.09 -3.55 -0.27 0.00 -0.03 0.00 0.00 54.58 50.83 3hb1 n ASN 440 Cb 0.37 -0.64 -0.14 0.00 -0.61 0.00 0.00 39.78 38.75 3hb1 n ASN 440 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hb1 s VAL 442 N -0.77 0.58 -0.14 0.00 0.11 -1.02 -4.66 120.40 114.50 3hb1 s VAL 442 Ca 0.08 -1.62 -0.04 0.00 -2.93 0.00 0.00 61.98 57.47 3hb1 s VAL 442 Cb -0.09 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.45 3hb1 s VAL 442 CO 0.02 -0.72 0.01 0.20 -3.33 0.00 0.00 175.10 171.27 3hb1 s ASN 443 N -2.52 5.19 0.04 3.54 0.01 -1.26 -0.74 114.94 119.20 3hb1 s ASN 443 Ca 0.04 0.02 0.06 0.00 -0.71 0.00 0.00 52.86 52.26 3hb1 s ASN 443 Cb 0.00 -1.76 -0.02 0.00 0.41 0.00 0.00 41.25 39.88 3hb1 s ASN 443 CO -0.03 0.23 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.94 3hb1 s VAL 444 N 0.01 1.27 -0.07 1.60 1.01 0.12 -4.80 120.40 119.54 3hb1 s VAL 444 Ca 0.03 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.96 3hb1 s VAL 444 Cb -0.13 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 3hb1 s VAL 444 CO 0.02 0.04 -0.17 -0.22 0.00 0.00 0.00 175.10 174.77 3hb1 s LEU 445 N -1.20 2.56 -0.23 3.92 2.96 0.29 -0.98 118.68 125.99 3hb1 s LEU 445 Ca 0.03 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 3hb1 s LEU 445 Cb -0.08 -1.52 0.08 0.00 0.50 0.00 0.00 46.19 45.16 3hb1 s LEU 445 CO 0.02 0.27 0.09 -0.69 -1.32 0.00 0.00 176.35 174.72 3hb1 s VAL 446 N -0.29 0.15 0.17 1.68 1.01 -0.18 -0.03 120.40 122.91 3hb1 s VAL 446 Ca 0.02 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.50 3hb1 s VAL 446 Cb -0.13 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3hb1 s VAL 446 CO 0.03 -0.47 -0.19 0.28 0.00 0.00 0.00 175.10 174.74 3hb1 s THR 447 N 2.01 1.92 -2.06 3.92 -1.32 -0.77 -4.23 115.64 115.11 3hb1 s THR 447 Ca 0.05 -1.93 0.12 0.00 -1.21 0.00 0.00 61.69 58.71 3hb1 s THR 447 Cb -0.16 -1.89 0.31 0.00 -1.51 0.00 0.00 72.50 69.24 3hb1 s THR 447 CO -0.20 -0.27 1.35 0.35 -2.21 0.00 0.00 174.62 173.63 3hb1 n THR 448 N 0.30 0.20 -3.02 5.08 -2.24 -1.26 0.37 114.28 113.71 3hb1 n THR 448 Ca -0.13 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.07 3hb1 n THR 448 Cb 0.57 0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.84 3hb1 n THR 448 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hb1 s THR 449 N -1.80 4.52 0.65 4.28 2.01 -1.26 -4.38 115.64 119.65 3hb1 s THR 449 Ca 0.20 1.28 -0.18 0.00 0.31 0.00 0.00 61.69 63.31 3hb1 s THR 449 Cb 0.10 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 3hb1 s THR 449 CO 0.15 -0.02 1.16 0.00 -0.69 0.00 0.00 174.62 175.22 3hb1 n GLN 450 N 0.10 0.97 -0.12 4.92 6.02 -1.26 -4.51 117.38 123.49 3hb1 n GLN 450 Ca 0.02 0.38 -0.05 0.00 -0.01 0.00 0.00 57.00 57.34 3hb1 n GLN 450 Cb 0.52 -2.39 0.01 0.00 1.02 0.00 0.00 30.24 29.40 3hb1 n GLN 450 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3hb1 h LEU 451 N 0.40 -0.73 0.22 1.08 5.85 -1.90 -1.12 115.31 119.11 3hb1 h LEU 451 Ca -0.50 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 3hb1 h LEU 451 Cb 1.35 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.77 3hb1 h LEU 451 CO 0.52 -0.24 -0.11 0.40 -0.34 0.00 0.00 178.44 178.67 3hb1 h ILE 452 N -0.13 0.80 -0.80 4.05 1.08 -1.90 -1.56 117.51 119.04 3hb1 h ILE 452 Ca 0.20 -0.11 0.06 0.00 -0.39 0.00 0.00 64.86 64.61 3hb1 h ILE 452 Cb 0.45 0.87 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 3hb1 h ILE 452 CO -0.50 0.03 0.49 -0.65 -0.69 0.00 0.00 178.15 176.82 3hb1 h PRO 453 N -0.36 0.88 -0.69 2.37 0.11 -1.90 -1.80 132.00 130.62 3hb1 h PRO 453 Ca -0.03 -0.05 0.11 0.00 0.11 0.00 0.00 66.00 66.14 3hb1 h PRO 453 Cb 0.27 -0.20 -0.08 0.00 0.11 0.00 0.00 31.00 31.11 3hb1 h PRO 453 CO 0.05 0.58 0.29 0.00 -0.21 0.00 0.00 178.00 178.71 3hb1 h ALA 454 N 1.38 0.93 -0.37 -0.75 0.00 -0.93 0.36 119.26 119.88 3hb1 h ALA 454 Ca 0.35 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 3hb1 h ALA 454 Cb 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hb1 h ALA 454 CO -0.17 -0.16 -0.10 -0.07 0.00 0.00 0.00 179.25 178.76 3hb1 h LEU 455 N 0.48 0.61 -0.46 0.00 3.38 -0.48 0.01 115.31 118.85 3hb1 h LEU 455 Ca 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3hb1 h LEU 455 Cb 0.46 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3hb1 h LEU 455 CO -0.33 0.75 0.17 0.00 0.09 0.00 0.00 178.44 179.12 3hb1 h ALA 456 N 1.31 0.60 0.78 1.53 0.00 -0.47 -1.73 119.26 121.28 3hb1 h ALA 456 Ca 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hb1 h ALA 456 Cb 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hb1 h ALA 456 CO 0.03 0.22 -0.44 0.87 0.00 0.00 0.00 179.25 179.93 3hb1 h LYS 457 N 0.61 -1.10 -0.85 0.00 1.57 -0.47 -1.57 116.57 114.76 3hb1 h LYS 457 Ca 0.15 0.07 0.21 0.00 -1.87 0.00 0.00 60.65 59.22 3hb1 h LYS 457 Cb 0.22 0.25 -0.13 0.00 0.08 0.00 0.00 32.23 32.64 3hb1 h LYS 457 CO -0.01 -0.73 0.23 0.28 -0.57 0.00 0.00 179.45 178.64 3hb1 h VAL 458 N -1.14 0.37 -0.09 0.50 2.07 -0.90 -0.14 116.25 116.92 3hb1 h VAL 458 Ca -0.10 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3hb1 h VAL 458 Cb 0.90 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3hb1 h VAL 458 CO 0.13 0.04 -0.04 -0.07 0.02 0.00 0.00 177.57 177.66 3hb1 h LEU 459 N 0.23 0.19 -2.04 2.57 3.38 -1.14 0.28 115.31 118.77 3hb1 h LEU 459 Ca 0.52 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hb1 h LEU 459 Cb 1.00 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3hb1 h LEU 459 CO -0.62 0.54 -0.01 -0.07 0.09 0.00 0.00 178.44 178.38 3hb1 h LEU 460 N -0.17 0.00 -3.07 1.67 3.38 -0.56 -1.88 115.31 114.68 3hb1 h LEU 460 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hb1 h LEU 460 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3hb1 h LEU 460 CO 0.01 0.01 0.00 -1.22 0.09 0.00 0.00 178.44 177.33 3hb1 n TYR 461 N -3.11 1.36 -1.87 1.13 4.02 -0.13 -4.94 117.16 113.62 3hb1 n TYR 461 Ca -0.01 -0.59 -0.18 0.00 -0.01 0.00 0.00 57.90 57.11 3hb1 n TYR 461 Cb 0.22 -0.20 -0.05 0.00 -0.02 0.00 0.00 39.34 39.29 3hb1 n TYR 461 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hb1 n GLY 462 N 1.17 0.83 0.03 2.72 0.00 -0.71 -4.87 105.19 104.36 3hb1 n GLY 462 Ca 0.25 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3hb1 n GLY 462 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hb1 n LEU 463 N -2.24 0.63 -0.26 0.99 4.77 0.95 -4.29 117.00 117.55 3hb1 n LEU 463 Ca -0.19 -0.03 0.13 0.00 -0.03 0.00 0.00 56.01 55.89 3hb1 n LEU 463 Cb 0.62 -0.14 0.40 0.00 -2.33 0.00 0.00 43.42 41.97 3hb1 n LEU 463 CO 0.26 0.07 1.22 1.23 -1.33 0.00 0.00 177.39 178.84 3hb1 h GLY 464 N 4.69 1.15 2.00 -0.72 0.00 -1.71 0.14 103.07 108.62 3hb1 h GLY 464 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3hb1 h GLY 464 CO 0.00 0.06 -0.04 0.23 0.00 0.00 0.00 176.54 176.80 3hb1 h SER 465 N 0.63 0.00 0.27 0.19 0.87 -1.75 -3.20 113.55 110.57 3hb1 h SER 465 Ca 0.45 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.75 3hb1 h SER 465 Cb 0.81 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.72 3hb1 h SER 465 CO -0.21 0.04 -1.97 0.52 -0.53 0.00 0.00 176.83 174.68 3hb1 n VAL 466 N -3.14 1.23 -3.98 2.23 0.31 -0.07 -4.89 118.33 110.02 3hb1 n VAL 466 Ca 0.01 -0.76 -0.35 0.00 -0.01 0.00 0.00 64.34 63.22 3hb1 n VAL 466 Cb 0.35 -0.60 -0.14 0.00 -0.91 0.00 0.00 33.84 32.54 3hb1 n VAL 466 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3hb1 s PHE 467 N -2.74 2.98 0.21 3.52 0.40 -0.58 -4.88 117.98 116.89 3hb1 s PHE 467 Ca -0.07 -0.76 -0.30 0.00 -0.60 0.00 0.00 56.93 55.20 3hb1 s PHE 467 Cb 0.08 -2.10 -0.08 0.00 0.51 0.00 0.00 43.02 41.43 3hb1 s PHE 467 CO 0.83 -0.44 1.15 -1.25 0.70 0.00 0.00 175.22 176.22 3hb1 s PRO 468 N 1.32 4.55 0.36 0.24 0.04 -1.26 -4.76 135.00 135.49 3hb1 s PRO 468 Ca 0.04 1.82 0.20 0.00 0.04 0.00 0.00 61.00 63.10 3hb1 s PRO 468 Cb -0.14 -3.24 1.31 0.00 0.04 0.00 0.00 34.50 32.47 3hb1 s PRO 468 CO -0.01 0.02 1.57 1.51 0.04 0.00 0.00 177.00 180.13 3hb1 n ILE 469 N 2.14 -0.42 0.70 0.56 0.13 -1.26 0.44 119.36 121.66 3hb1 n ILE 469 Ca 0.03 2.03 0.01 0.00 -1.10 0.00 0.00 62.75 63.72 3hb1 n ILE 469 Cb 0.45 -3.28 0.08 0.00 -0.84 0.00 0.00 39.64 36.04 3hb1 n ILE 469 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 3hb1 n GLU 470 N -5.27 1.72 -0.05 9.51 0.00 -1.26 -3.11 120.64 122.19 3hb1 n GLU 470 Ca 0.37 -0.60 0.06 0.00 0.00 0.00 0.00 57.16 56.99 3hb1 n GLU 470 Cb 1.25 -1.61 0.09 0.00 0.00 0.00 0.00 31.44 31.17 3hb1 n GLU 470 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3hb1 n ASN 471 N 0.11 2.24 -4.37 -1.84 4.13 0.17 -4.99 115.26 110.71 3hb1 n ASN 471 Ca 0.05 -2.70 -0.33 0.00 1.68 0.00 0.00 54.58 53.28 3hb1 n ASN 471 Cb 0.41 -0.28 -0.14 0.00 -1.54 0.00 0.00 39.78 38.23 3hb1 n ASN 471 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3hb1 s ILE 472 N -2.21 3.07 -0.05 2.41 1.01 -1.18 -0.54 121.20 123.70 3hb1 s ILE 472 Ca 0.21 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.24 3hb1 s ILE 472 Cb 0.18 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.36 3hb1 s ILE 472 CO 0.02 0.52 -0.14 -0.31 0.00 0.00 0.00 174.94 175.03 3hb1 s TYR 473 N 0.39 1.48 -0.42 3.97 1.51 0.96 -4.64 117.35 120.61 3hb1 s TYR 473 Ca -0.10 -0.47 -0.18 0.00 -1.01 0.00 0.00 57.07 55.30 3hb1 s TYR 473 Cb -0.16 -1.04 0.02 0.00 -0.11 0.00 0.00 41.96 40.67 3hb1 s TYR 473 CO 0.05 -0.20 0.48 0.45 -1.11 0.00 0.00 175.55 175.22 3hb1 s SER 474 N 0.33 6.23 0.00 2.29 0.15 -0.55 -1.84 113.70 120.31 3hb1 s SER 474 Ca -0.08 -0.54 0.10 0.00 0.70 0.00 0.00 55.95 56.12 3hb1 s SER 474 Cb -0.13 -2.25 0.58 0.00 -1.71 0.00 0.00 66.02 62.51 3hb1 s SER 474 CO 0.03 -0.60 1.30 0.00 1.20 0.00 0.00 173.24 175.16 3hb1 n ALA 475 N 5.74 2.47 -0.16 5.45 0.00 0.16 -3.88 120.51 130.28 3hb1 n ALA 475 Ca -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 3hb1 n ALA 475 Cb 0.48 -1.16 0.20 0.00 0.00 0.00 0.00 19.45 18.96 3hb1 n ALA 475 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hb1 h THR 476 N 0.00 1.22 0.28 0.00 1.35 -1.77 0.64 112.91 114.63 3hb1 h THR 476 Ca 0.00 -0.70 -0.01 0.00 -0.55 0.00 0.00 66.41 65.15 3hb1 h THR 476 Cb 0.00 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 3hb1 h THR 476 CO 0.00 0.28 -0.14 0.50 -0.25 0.00 0.00 175.52 175.91 3hb1 h LYS 477 N 0.88 -0.37 -0.19 4.72 3.64 -1.81 -3.40 116.57 120.05 3hb1 h LYS 477 Ca 0.21 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3hb1 h LYS 477 Cb 0.19 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3hb1 h LYS 477 CO -0.02 -0.24 0.00 0.25 -2.27 0.00 0.00 179.45 177.17 3hb1 n THR 478 N -3.50 0.64 0.00 1.00 -2.24 -1.25 -5.11 114.28 103.82 3hb1 n THR 478 Ca -0.05 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 3hb1 n THR 478 Cb 0.15 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 3hb1 n THR 478 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hb1 n GLY 479 N 0.41 -0.72 0.35 3.38 0.00 0.22 -4.19 105.19 104.64 3hb1 n GLY 479 Ca 0.08 -1.52 0.06 0.00 0.00 0.00 0.00 46.02 44.65 3hb1 n GLY 479 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hb1 h LYS 480 N 0.00 0.75 -0.66 1.61 1.57 -1.92 -1.66 116.57 116.26 3hb1 h LYS 480 Ca 0.00 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3hb1 h LYS 480 Cb 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3hb1 h LYS 480 CO 0.00 0.50 0.17 1.49 -0.57 0.00 0.00 179.45 181.04 3hb1 h GLU 481 N 0.77 1.06 -0.27 3.15 4.81 -1.86 0.19 114.58 122.43 3hb1 h GLU 481 Ca 0.32 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3hb1 h GLU 481 Cb 0.25 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3hb1 h GLU 481 CO -0.11 0.94 0.10 1.03 -0.73 0.00 0.00 179.01 180.25 3hb1 h SER 482 N 0.98 0.39 -0.61 1.04 0.87 -1.55 -1.54 113.55 113.14 3hb1 h SER 482 Ca 0.21 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3hb1 h SER 482 Cb 0.36 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 3hb1 h SER 482 CO 0.00 0.46 0.29 0.00 -0.53 0.00 0.00 176.83 177.05 3hb1 h PHE 484 N 0.90 0.64 -0.14 0.00 0.05 -0.26 -1.03 116.94 117.09 3hb1 h PHE 484 Ca 0.22 -0.08 -0.05 0.00 3.82 0.00 0.00 57.97 61.89 3hb1 h PHE 484 Cb 0.11 -0.18 -0.00 0.00 2.00 0.00 0.00 35.95 37.88 3hb1 h PHE 484 CO 0.01 0.63 -0.09 1.49 -0.18 0.00 0.00 178.31 180.17 3hb1 h GLU 485 N 0.58 0.32 -0.97 1.51 4.81 -0.42 -2.14 114.58 118.27 3hb1 h GLU 485 Ca 0.12 -0.15 0.10 0.00 -0.13 0.00 0.00 59.36 59.31 3hb1 h GLU 485 Cb 0.39 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.68 3hb1 h GLU 485 CO 0.02 0.66 0.61 -0.09 -0.73 0.00 0.00 179.01 179.47 3hb1 h ARG 486 N -0.03 0.97 -0.34 1.92 2.43 -0.66 -0.91 114.38 117.76 3hb1 h ARG 486 Ca 0.03 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 3hb1 h ARG 486 Cb 0.57 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3hb1 h ARG 486 CO 0.02 0.64 -0.21 0.82 -1.51 0.00 0.00 179.97 179.74 3hb1 h ILE 487 N 1.00 1.26 0.00 1.20 2.04 -1.09 -1.25 117.51 120.68 3hb1 h ILE 487 Ca 0.46 -1.26 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 3hb1 h ILE 487 Cb 0.38 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3hb1 h ILE 487 CO -0.24 0.41 -0.43 0.24 0.00 0.00 0.00 178.15 178.13 3hb1 h MET 488 N 0.57 0.00 -0.09 2.37 2.86 -0.52 -1.75 114.93 118.37 3hb1 h MET 488 Ca 0.09 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.55 3hb1 h MET 488 Cb 0.67 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 3hb1 h MET 488 CO 0.05 0.43 -0.69 1.96 1.06 0.00 0.00 176.91 179.72 3hb1 h GLN 489 N 0.00 0.39 -0.09 1.72 1.08 -0.82 -2.38 115.11 115.01 3hb1 h GLN 489 Ca -0.00 -0.30 -0.13 0.00 -1.45 0.00 0.00 58.65 56.76 3hb1 h GLN 489 Cb 0.79 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 3hb1 h GLN 489 CO 0.06 0.93 -0.53 -0.09 -0.95 0.00 0.00 178.83 178.25 3hb1 h ARG 490 N 0.27 0.26 0.00 1.46 2.43 -0.47 -3.34 114.38 114.99 3hb1 h ARG 490 Ca -0.02 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3hb1 h ARG 490 Cb 1.25 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3hb1 h ARG 490 CO 0.12 0.73 -0.87 1.19 -1.51 0.00 0.00 179.97 179.63 3hb1 n PHE 491 N -3.93 0.00 0.00 2.20 3.01 -0.73 -5.10 117.46 112.91 3hb1 n PHE 491 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3hb1 n PHE 491 Cb 0.57 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 3hb1 n PHE 491 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hb1 n GLY 492 N 1.41 1.37 0.82 1.37 0.00 -0.90 -4.68 105.19 104.58 3hb1 n GLY 492 Ca 0.01 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 44.01 3hb1 n GLY 492 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hb1 n ARG 493 N 0.24 1.82 0.11 1.61 1.74 -1.26 -4.23 116.66 116.69 3hb1 n ARG 493 Ca 0.00 -1.72 0.10 0.00 -0.77 0.00 0.00 57.85 55.45 3hb1 n ARG 493 Cb 0.00 -1.39 0.01 0.00 -1.02 0.00 0.00 32.46 30.06 3hb1 n ARG 493 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3hb1 h LYS 494 N 3.94 0.00 -6.61 5.56 1.57 -1.96 -3.46 116.57 115.61 3hb1 h LYS 494 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3hb1 h LYS 494 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 3hb1 h LYS 494 CO 0.00 0.05 -0.01 0.00 -0.57 0.00 0.00 179.45 178.92 3hb1 s ALA 495 N -3.28 3.46 -0.17 3.86 0.00 -1.26 -4.99 121.76 119.39 3hb1 s ALA 495 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 3hb1 s ALA 495 Cb 0.09 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 3hb1 s ALA 495 CO 0.78 0.30 0.12 0.14 0.00 0.00 0.00 175.76 177.10 3hb1 s VAL 496 N -2.03 5.36 -0.24 0.00 -7.23 -1.09 -4.96 120.40 110.21 3hb1 s VAL 496 Ca 0.50 0.16 -0.09 0.00 -1.81 0.00 0.00 61.98 60.74 3hb1 s VAL 496 Cb -0.11 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 3hb1 s VAL 496 CO 0.24 0.51 0.12 -0.31 -0.31 0.00 0.00 175.10 175.35 3hb1 s TYR 497 N -0.16 3.23 -0.32 2.82 1.51 -1.26 -1.33 117.35 121.83 3hb1 s TYR 497 Ca 0.10 0.02 -0.07 0.00 -1.01 0.00 0.00 57.07 56.11 3hb1 s TYR 497 Cb -0.11 -2.24 0.03 0.00 -0.11 0.00 0.00 41.96 39.52 3hb1 s TYR 497 CO 0.00 -0.06 0.10 0.08 -1.11 0.00 0.00 175.55 174.56 3hb1 s VAL 498 N 1.17 3.85 -0.02 0.71 1.01 -0.19 -3.50 120.40 123.44 3hb1 s VAL 498 Ca 0.06 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.88 3hb1 s VAL 498 Cb -0.14 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 3hb1 s VAL 498 CO 0.05 -0.08 0.56 -0.69 0.00 0.00 0.00 175.10 174.93 3hb1 s VAL 499 N 1.44 4.96 -0.07 2.92 1.01 -0.43 -0.71 120.40 129.51 3hb1 s VAL 499 Ca -0.00 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.17 3hb1 s VAL 499 Cb -0.19 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.31 3hb1 s VAL 499 CO 0.03 0.42 -0.15 -0.63 0.00 0.00 0.00 175.10 174.77 3hb1 s ILE 500 N -0.19 1.33 0.00 2.22 1.01 0.69 -1.51 121.20 124.76 3hb1 s ILE 500 Ca 0.29 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.34 3hb1 s ILE 500 Cb -0.18 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.10 3hb1 s ILE 500 CO 0.16 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3hb1 n GLY 501 N 3.69 1.01 0.03 6.18 0.00 -0.92 -1.51 105.19 113.67 3hb1 n GLY 501 Ca -0.22 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.10 3hb1 n GLY 501 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hb1 n ASP 502 N 0.00 0.45 -4.86 1.61 5.75 -1.26 -1.76 116.55 116.48 3hb1 n ASP 502 Ca 0.00 -0.12 -0.22 0.00 -0.01 0.00 0.00 54.79 54.44 3hb1 n ASP 502 Cb 0.00 1.24 0.07 0.00 -1.03 0.00 0.00 41.12 41.40 3hb1 n ASP 502 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3hb1 s GLY 503 N -4.05 1.79 0.04 6.12 0.00 -1.26 -4.85 107.32 105.12 3hb1 s GLY 503 Ca -0.01 -1.65 0.17 0.00 0.00 0.00 0.00 44.72 43.23 3hb1 s GLY 503 CO 0.85 -1.23 0.76 3.33 0.00 0.00 0.00 173.10 176.81 3hb1 n VAL 504 N -2.49 1.14 -0.04 1.40 0.24 -1.26 -2.88 118.33 114.44 3hb1 n VAL 504 Ca 0.12 -0.69 -0.11 0.00 -2.04 0.00 0.00 64.34 61.62 3hb1 n VAL 504 Cb 0.60 -0.68 -0.05 0.00 -1.47 0.00 0.00 33.84 32.24 3hb1 n VAL 504 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3hb1 h GLU 505 N 0.00 0.23 -0.42 7.34 4.81 -1.98 0.34 114.58 124.89 3hb1 h GLU 505 Ca -0.18 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3hb1 h GLU 505 Cb 1.59 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.88 3hb1 h GLU 505 CO 0.04 0.23 0.18 0.93 -0.73 0.00 0.00 179.01 179.66 3hb1 h GLU 506 N 0.17 0.35 -0.01 1.92 5.08 -1.98 -0.66 114.58 119.45 3hb1 h GLU 506 Ca 0.06 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hb1 h GLU 506 Cb 0.07 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3hb1 h GLU 506 CO -0.01 0.23 -0.00 1.49 -1.00 0.00 0.00 179.01 179.72 3hb1 h GLU 507 N 0.36 0.02 0.00 2.33 4.81 -1.29 -2.57 114.58 118.24 3hb1 h GLU 507 Ca 0.19 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3hb1 h GLU 507 Cb 0.14 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3hb1 h GLU 507 CO -0.17 0.35 -0.29 1.96 -0.73 0.00 0.00 179.01 180.13 3hb1 h GLN 508 N -0.32 0.00 0.00 1.92 4.20 -0.29 -2.37 115.11 118.26 3hb1 h GLN 508 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 3hb1 h GLN 508 Cb 0.34 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3hb1 h GLN 508 CO 0.00 0.29 -0.71 0.78 -0.67 0.00 0.00 178.83 178.53 3hb1 h GLY 509 N 1.79 0.00 1.80 3.46 0.00 -1.09 -2.09 103.07 106.94 3hb1 h GLY 509 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.08 3hb1 h GLY 509 CO 0.04 0.00 -1.13 0.00 0.00 0.00 0.00 176.54 175.45 3hb1 h ALA 510 N 1.29 0.22 -0.06 3.60 0.00 -1.26 -3.26 119.26 119.80 3hb1 h ALA 510 Ca -0.01 -0.90 -0.14 0.00 0.00 0.00 0.00 54.91 53.86 3hb1 h ALA 510 Cb 1.35 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3hb1 h ALA 510 CO 0.09 1.11 -0.60 0.87 0.00 0.00 0.00 179.25 180.73 3hb1 h LYS 511 N 0.04 0.19 -0.02 0.00 1.57 -1.40 0.35 116.57 117.30 3hb1 h LYS 511 Ca -0.08 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3hb1 h LYS 511 Cb 1.88 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.20 3hb1 h LYS 511 CO 0.17 0.73 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.41 3hb1 h LYS 512 N 0.14 0.03 -0.48 3.15 3.64 -1.42 -2.32 116.57 119.32 3hb1 h LYS 512 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3hb1 h LYS 512 Cb 1.09 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3hb1 h LYS 512 CO 0.09 0.18 0.00 0.72 -2.27 0.00 0.00 179.45 178.17 3hb1 n HIS 513 N -4.35 0.67 -3.73 1.91 8.25 -1.09 -4.97 115.22 111.91 3hb1 n HIS 513 Ca -0.02 -0.51 -0.27 0.00 -0.26 0.00 0.00 57.72 56.66 3hb1 n HIS 513 Cb 0.23 -0.03 0.06 0.00 1.12 0.00 0.00 29.99 31.37 3hb1 n HIS 513 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3hb1 n ASN 514 N 0.90 -5.76 -4.68 0.41 5.03 -0.67 -4.97 115.26 105.51 3hb1 n ASN 514 Ca 0.16 -0.64 -0.36 0.00 0.87 0.00 0.00 54.58 54.61 3hb1 n ASN 514 Cb 0.51 -4.57 -0.09 0.00 -1.02 0.00 0.00 39.78 34.61 3hb1 n ASN 514 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3hb1 s MET 515 N -6.44 4.12 0.40 3.52 -1.94 0.12 -5.01 119.30 114.06 3hb1 s MET 515 Ca 0.62 -0.20 -0.25 0.00 -1.71 0.00 0.00 55.69 54.16 3hb1 s MET 515 Cb -0.29 -3.50 -0.12 0.00 2.01 0.00 0.00 34.83 32.93 3hb1 s MET 515 CO 0.77 0.12 0.91 -0.35 -0.01 0.00 0.00 175.02 176.46 3hb1 n PRO 516 N 4.08 1.16 -4.49 2.03 -0.04 -1.23 -4.36 135.00 132.15 3hb1 n PRO 516 Ca -0.14 0.42 -0.22 0.00 -0.04 0.00 0.00 63.50 63.51 3hb1 n PRO 516 Cb 0.52 -1.88 -0.14 0.00 -0.04 0.00 0.00 33.50 31.96 3hb1 n PRO 516 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3hb1 s PHE 517 N -1.27 1.48 -0.23 0.54 5.36 -1.26 -1.32 117.98 121.28 3hb1 s PHE 517 Ca 0.63 -0.36 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 3hb1 s PHE 517 Cb -0.60 -0.88 0.05 0.00 -0.34 0.00 0.00 43.02 41.25 3hb1 s PHE 517 CO 0.57 0.06 -0.09 -1.58 -1.46 0.00 0.00 175.22 172.72 3hb1 s TRP 518 N -0.80 2.59 -0.51 10.12 0.52 -0.57 -4.98 118.94 125.31 3hb1 s TRP 518 Ca 0.04 -1.81 -0.26 0.00 0.02 0.00 0.00 56.10 54.10 3hb1 s TRP 518 Cb -0.08 -1.68 0.03 0.00 -1.15 0.00 0.00 33.47 30.59 3hb1 s TRP 518 CO 0.01 -0.78 0.99 0.50 0.02 0.00 0.00 176.95 177.69 3hb1 s ARG 519 N 1.33 3.49 -1.02 4.98 3.52 -1.26 -2.15 118.95 127.83 3hb1 s ARG 519 Ca -0.05 0.09 -0.14 0.00 -0.13 0.00 0.00 55.73 55.50 3hb1 s ARG 519 Cb -0.18 -3.97 0.20 0.00 -1.56 0.00 0.00 34.95 29.44 3hb1 s ARG 519 CO -0.07 -1.38 1.12 0.42 -0.81 0.00 0.00 175.30 174.58 3hb1 s ILE 520 N 4.04 5.35 -0.24 4.11 -1.09 -0.72 -4.84 121.20 127.80 3hb1 s ILE 520 Ca 0.37 -2.54 0.18 0.00 -2.23 0.00 0.00 60.65 56.44 3hb1 s ILE 520 Cb -0.10 -4.70 0.17 0.00 -1.58 0.00 0.00 42.46 36.26 3hb1 s ILE 520 CO 0.25 -1.34 1.53 0.28 -1.23 0.00 0.00 174.94 174.42 3hb1 h SER 521 N 7.59 0.00 -5.27 3.58 0.02 -1.89 -3.35 113.55 114.24 3hb1 h SER 521 Ca 0.19 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.99 3hb1 h SER 521 Cb 0.95 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 3hb1 h SER 521 CO 1.03 0.31 0.03 0.00 -1.14 0.00 0.00 176.83 177.06 3hb1 h HIS 523 N 2.05 0.57 -0.82 0.00 2.76 -1.97 -2.04 115.15 115.70 3hb1 h HIS 523 Ca -0.30 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.01 3hb1 h HIS 523 Cb 1.24 -0.17 -0.08 0.00 1.55 0.00 0.00 27.41 29.95 3hb1 h HIS 523 CO 1.43 0.28 0.45 0.00 -1.30 0.00 0.00 177.93 178.79 3hb1 h ALA 524 N 1.30 1.20 -0.64 5.26 0.00 -1.99 0.08 119.26 124.47 3hb1 h ALA 524 Ca 0.25 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3hb1 h ALA 524 Cb 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hb1 h ALA 524 CO -0.16 0.01 0.37 -0.44 0.00 0.00 0.00 179.25 179.03 3hb1 h ASP 525 N 0.71 0.77 0.21 0.00 3.32 -1.76 0.43 116.42 120.10 3hb1 h ASP 525 Ca 0.42 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 3hb1 h ASP 525 Cb 0.48 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3hb1 h ASP 525 CO -0.29 0.61 -0.10 0.25 -1.72 0.00 0.00 179.24 177.98 3hb1 h LEU 526 N 0.88 -0.24 -1.33 1.55 6.46 -0.74 -0.70 115.31 121.19 3hb1 h LEU 526 Ca 0.23 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.93 3hb1 h LEU 526 Cb -0.01 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 3hb1 h LEU 526 CO -0.04 -0.17 -0.27 -0.33 -0.62 0.00 0.00 178.44 177.01 3hb1 h GLU 527 N -0.29 0.10 -0.47 1.25 5.08 -0.93 -0.41 114.58 118.91 3hb1 h GLU 527 Ca -0.03 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3hb1 h GLU 527 Cb 0.22 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3hb1 h GLU 527 CO 0.05 0.37 -0.05 0.00 -1.00 0.00 0.00 179.01 178.38 3hb1 h ALA 528 N 1.64 1.04 -0.24 3.43 0.00 -0.54 -0.96 119.26 123.63 3hb1 h ALA 528 Ca 0.01 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 3hb1 h ALA 528 Cb 0.53 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hb1 h ALA 528 CO 0.04 0.59 -0.49 1.25 0.00 0.00 0.00 179.25 180.64 3hb1 h LEU 529 N 0.74 0.84 -0.87 0.00 5.85 -0.43 -2.04 115.31 119.40 3hb1 h LEU 529 Ca 0.14 -0.55 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 3hb1 h LEU 529 Cb 0.52 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3hb1 h LEU 529 CO 0.03 1.23 0.48 -0.09 -0.34 0.00 0.00 178.44 179.75 3hb1 h ARG 530 N 0.48 1.21 -0.76 1.25 2.43 -0.89 -1.17 114.38 116.93 3hb1 h ARG 530 Ca 0.01 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 3hb1 h ARG 530 Cb 1.10 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 3hb1 h ARG 530 CO 0.11 0.88 0.28 1.25 -1.51 0.00 0.00 179.97 180.98 3hb1 h HIS 531 N 1.21 1.17 -0.75 2.20 2.76 -1.12 -0.88 115.15 119.76 3hb1 h HIS 531 Ca 0.31 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 3hb1 h HIS 531 Cb 0.02 -0.35 -0.04 0.00 1.55 0.00 0.00 27.41 28.59 3hb1 h HIS 531 CO 0.01 0.90 0.40 0.00 -1.30 0.00 0.00 177.93 177.94 3hb1 h ALA 532 N 1.14 0.96 -0.18 5.26 0.00 -0.71 -1.73 119.26 124.00 3hb1 h ALA 532 Ca 0.25 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3hb1 h ALA 532 Cb 0.25 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hb1 h ALA 532 CO -0.02 0.49 -0.25 -0.07 0.00 0.00 0.00 179.25 179.40 3hb1 h LEU 533 N 1.04 0.33 -0.52 0.00 3.38 -0.82 -1.15 115.31 117.57 3hb1 h LEU 533 Ca 0.26 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hb1 h LEU 533 Cb 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hb1 h LEU 533 CO -0.04 0.59 0.29 -0.33 0.09 0.00 0.00 178.44 179.04 3hb1 h GLU 534 N 0.30 0.73 -0.00 1.13 4.39 -0.28 -2.52 114.58 118.33 3hb1 h GLU 534 Ca 0.05 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3hb1 h GLU 534 Cb 0.60 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3hb1 h GLU 534 CO 0.04 0.56 -0.09 1.28 -1.16 0.00 0.00 179.01 179.64 3hb1 n LEU 535 N -4.64 0.44 -0.82 1.33 4.77 -0.95 -4.89 117.00 112.24 3hb1 n LEU 535 Ca 0.03 0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 3hb1 n LEU 535 Cb 0.08 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 3hb1 n LEU 535 CO 0.36 0.08 -0.10 -0.62 -1.33 0.00 0.00 177.39 175.78 3hb1 n GLU 536 N -0.94 -0.94 0.27 3.23 1.02 -0.72 -4.79 120.64 117.77 3hb1 n GLU 536 Ca 0.15 0.84 0.15 0.00 -0.02 0.00 0.00 57.16 58.28 3hb1 n GLU 536 Cb 0.27 -4.86 0.71 0.00 -0.02 0.00 0.00 31.44 27.53 3hb1 n GLU 536 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3hb1 h TYR 537 N 0.00 0.00 0.00 -0.32 3.20 -1.52 -3.49 116.97 114.84 3hb1 h TYR 537 Ca -0.22 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.65 3hb1 h TYR 537 Cb 0.79 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.06 3hb1 h TYR 537 CO 0.36 0.10 0.00 -0.11 -1.64 0.00 0.00 178.16 176.87