#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hb1 n HIS 266 N 0.00 2.05 -2.42 0.66 -0.00 -1.26 -4.98 115.22 109.27 3hb1 n HIS 266 Ca 0.00 0.47 -0.36 0.00 -0.00 0.00 0.00 57.72 57.83 3hb1 n HIS 266 Cb 0.00 -2.43 -0.03 0.00 -0.00 0.00 0.00 29.99 27.53 3hb1 n HIS 266 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 3hb1 s MET 267 N -0.51 3.95 -0.04 -0.41 -2.45 -1.26 -5.04 119.30 113.54 3hb1 s MET 267 Ca 0.68 1.61 0.02 0.00 -1.25 0.00 0.00 55.69 56.75 3hb1 s MET 267 Cb -0.67 -2.44 0.01 0.00 1.25 0.00 0.00 34.83 32.98 3hb1 s MET 267 CO 0.51 -0.35 -0.08 -1.21 1.05 0.00 0.00 175.02 174.94 3hb1 s GLU 268 N -2.66 0.99 -0.06 4.11 2.02 -1.26 -4.85 118.70 117.00 3hb1 s GLU 268 Ca 0.61 -0.25 -0.03 0.00 0.02 0.00 0.00 54.97 55.33 3hb1 s GLU 268 Cb -0.24 -0.92 -0.04 0.00 0.10 0.00 0.00 34.13 33.03 3hb1 s GLU 268 CO 0.30 0.04 0.07 1.03 0.02 0.00 0.00 175.26 176.72 3hb1 s ARG 269 N 0.47 3.15 -0.19 1.61 0.52 -0.10 -0.80 118.95 123.61 3hb1 s ARG 269 Ca -0.07 -0.36 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 3hb1 s ARG 269 Cb -0.11 -2.93 0.04 0.00 0.52 0.00 0.00 34.95 32.46 3hb1 s ARG 269 CO 0.01 0.70 -0.12 0.08 0.02 0.00 0.00 175.30 175.99 3hb1 s VAL 270 N -1.06 1.69 -0.37 3.52 1.01 -0.09 -1.77 120.40 123.34 3hb1 s VAL 270 Ca 0.18 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 3hb1 s VAL 270 Cb -0.12 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3hb1 s VAL 270 CO 0.08 0.26 0.38 -0.36 0.00 0.00 0.00 175.10 175.46 3hb1 s PHE 271 N 1.39 3.20 -0.48 5.22 0.40 -0.09 -1.05 117.98 126.57 3hb1 s PHE 271 Ca 0.00 -0.15 -0.16 0.00 -0.60 0.00 0.00 56.93 56.02 3hb1 s PHE 271 Cb -0.15 -2.74 0.08 0.00 0.51 0.00 0.00 43.02 40.72 3hb1 s PHE 271 CO -0.09 -0.52 0.42 0.08 0.70 0.00 0.00 175.22 175.81 3hb1 s VAL 272 N 2.04 5.22 0.26 -0.44 1.01 0.12 -0.23 120.40 128.38 3hb1 s VAL 272 Ca 0.12 -1.12 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 3hb1 s VAL 272 Cb -0.17 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3hb1 s VAL 272 CO 0.12 -0.63 0.48 0.26 0.00 0.00 0.00 175.10 175.33 3hb1 s TRP 273 N 1.67 3.48 0.32 5.22 0.52 0.72 -0.89 118.94 129.98 3hb1 s TRP 273 Ca 0.04 0.48 0.07 0.00 0.02 0.00 0.00 56.10 56.70 3hb1 s TRP 273 Cb -0.25 -1.97 -0.02 0.00 -1.15 0.00 0.00 33.47 30.09 3hb1 s TRP 273 CO 0.06 0.26 0.42 0.34 0.02 0.00 0.00 176.95 178.05 3hb1 s ASP 274 N -3.26 5.90 -0.04 2.95 2.15 -0.76 -0.39 116.67 123.22 3hb1 s ASP 274 Ca 0.41 -0.20 -0.05 0.00 0.43 0.00 0.00 52.55 53.14 3hb1 s ASP 274 Cb -0.11 -1.28 -0.02 0.00 -0.30 0.00 0.00 42.92 41.22 3hb1 s ASP 274 CO 0.30 -0.36 -0.09 -0.11 -0.17 0.00 0.00 175.17 174.74 3hb1 n LEU 275 N -1.55 0.61 -4.71 -1.34 7.94 -1.26 -4.01 117.00 112.68 3hb1 n LEU 275 Ca -0.02 0.10 -0.42 0.00 -1.11 0.00 0.00 56.01 54.56 3hb1 n LEU 275 Cb 0.58 -0.47 -0.03 0.00 0.53 0.00 0.00 43.42 44.03 3hb1 n LEU 275 CO 0.42 -0.46 1.31 -1.81 -1.11 0.00 0.00 177.39 175.74 3hb1 s ASP 276 N -4.84 6.55 -0.50 1.96 1.11 -1.26 -0.55 116.67 119.14 3hb1 s ASP 276 Ca -0.08 2.62 0.00 0.00 0.18 0.00 0.00 52.55 55.28 3hb1 s ASP 276 Cb 0.01 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.42 3hb1 s ASP 276 CO 0.11 -0.89 0.00 -0.62 1.18 0.00 0.00 175.17 174.96 3hb1 n GLU 277 N 4.72 -1.54 0.03 8.23 4.71 0.31 -4.70 120.64 132.40 3hb1 n GLU 277 Ca 0.15 0.60 -0.00 0.00 -0.01 0.00 0.00 57.16 57.90 3hb1 n GLU 277 Cb 0.39 -4.85 -0.00 0.00 -1.01 0.00 0.00 31.44 25.97 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 -2.26 0.68 -0.03 2.62 -1.04 -0.92 -4.65 114.28 108.68 3hb1 n THR 278 Ca -0.05 0.23 -0.20 0.00 -2.04 0.00 0.00 64.05 61.99 3hb1 n THR 278 Cb 0.46 -1.34 -0.13 0.00 -1.82 0.00 0.00 70.33 67.49 3hb1 n THR 278 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3hb1 n ILE 279 N -3.06 1.70 -4.48 12.58 5.41 0.29 -4.90 119.36 126.91 3hb1 n ILE 279 Ca -0.00 -0.63 -0.23 0.00 1.00 0.00 0.00 62.75 62.88 3hb1 n ILE 279 Cb 0.01 -1.64 -0.10 0.00 -0.71 0.00 0.00 39.64 37.19 3hb1 n ILE 279 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 3hb1 s ILE 280 N -2.55 1.97 -0.23 1.39 -4.36 -0.71 -4.47 121.20 112.24 3hb1 s ILE 280 Ca -0.26 -2.19 -0.02 0.00 -0.26 0.00 0.00 60.65 57.93 3hb1 s ILE 280 Cb 0.07 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.30 3hb1 s ILE 280 CO 0.72 -0.28 -0.07 -0.63 0.24 0.00 0.00 174.94 174.92 3hb1 s ILE 281 N -2.80 2.89 0.17 8.37 -1.09 -1.26 0.11 121.20 127.60 3hb1 s ILE 281 Ca 0.30 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 3hb1 s ILE 281 Cb 0.02 -2.40 0.00 0.00 -1.58 0.00 0.00 42.46 38.50 3hb1 s ILE 281 CO 0.14 0.30 0.00 0.33 -1.23 0.00 0.00 174.94 174.48 3hb1 n PHE 282 N 4.70 -2.08 -0.18 3.97 7.35 -1.26 -4.89 117.46 125.06 3hb1 n PHE 282 Ca -0.18 0.42 -0.04 0.00 -0.76 0.00 0.00 57.45 56.89 3hb1 n PHE 282 Cb 0.48 1.16 0.05 0.00 0.35 0.00 0.00 39.48 41.52 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 0.56 0.00 -5.13 3.86 -1.96 -1.19 115.15 111.29 3hb1 h HIS 283 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3hb1 h HIS 283 Cb 0.00 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.30 3hb1 h HIS 283 CO 0.00 0.29 0.00 -1.13 0.86 0.00 0.00 177.93 177.95 3hb1 n SER 284 N -4.83 0.00 0.03 2.45 3.41 -1.26 -0.96 113.62 112.47 3hb1 n SER 284 Ca 0.05 0.13 -0.10 0.00 -0.26 0.00 0.00 58.87 58.69 3hb1 n SER 284 Cb 0.12 -0.25 -0.13 0.00 -0.26 0.00 0.00 64.21 63.69 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 0.09 0.00 1.04 3.38 -1.53 -2.60 115.31 115.68 3hb1 h LEU 285 Ca 0.00 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.66 3hb1 h LEU 285 Cb 0.05 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3hb1 h LEU 285 CO 0.00 1.11 -0.94 -0.07 0.09 0.00 0.00 178.44 178.63 3hb1 h LEU 286 N 0.02 0.00 0.00 1.67 3.38 -1.08 -3.18 115.31 116.11 3hb1 h LEU 286 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hb1 h LEU 286 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 3hb1 h LEU 286 CO 0.12 0.85 -0.57 0.71 0.09 0.00 0.00 178.44 179.63 3hb1 h THR 287 N 0.00 0.00 0.00 0.22 1.35 -1.61 -3.48 112.91 109.39 3hb1 h THR 287 Ca -0.04 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3hb1 h THR 287 Cb 1.68 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 3hb1 h THR 287 CO 0.10 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 3hb1 n GLY 288 N 1.25 0.83 0.21 5.82 0.00 -1.20 -4.93 105.19 107.18 3hb1 n GLY 288 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3hb1 n GLY 288 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hb1 h THR 289 N 0.00 1.21 0.47 2.61 2.02 -1.87 -0.20 112.91 117.15 3hb1 h THR 289 Ca 0.00 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 3hb1 h THR 289 Cb 0.00 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3hb1 h THR 289 CO 0.00 0.24 -0.23 0.15 0.37 0.00 0.00 175.52 176.06 3hb1 h PHE 290 N 0.60 -0.59 -1.01 3.16 3.57 -1.83 0.62 116.94 121.47 3hb1 h PHE 290 Ca 0.15 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.87 3hb1 h PHE 290 Cb 0.21 0.19 -0.12 0.00 2.79 0.00 0.00 35.95 39.02 3hb1 h PHE 290 CO 0.00 -0.29 0.60 0.00 -2.23 0.00 0.00 178.31 176.39 3hb1 h ALA 291 N -0.92 1.76 -0.03 2.41 0.00 -1.78 0.12 119.26 120.82 3hb1 h ALA 291 Ca -0.06 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hb1 h ALA 291 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hb1 h ALA 291 CO 0.11 -0.21 -0.03 1.03 0.00 0.00 0.00 179.25 180.14 3hb1 h SER 292 N 0.63 0.09 0.16 0.00 0.87 -0.98 0.45 113.55 114.77 3hb1 h SER 292 Ca 0.63 -0.49 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 3hb1 h SER 292 Cb 1.14 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 3hb1 h SER 292 CO -0.45 0.56 -0.22 -0.09 -0.53 0.00 0.00 176.83 176.10 3hb1 h ARG 293 N -0.38 0.12 -0.20 2.24 2.43 0.64 -3.11 114.38 116.11 3hb1 h ARG 293 Ca 0.01 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3hb1 h ARG 293 Cb 0.53 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3hb1 h ARG 293 CO 0.01 0.33 -0.01 0.66 -1.51 0.00 0.00 179.97 179.45 3hb1 n TYR 294 N -4.23 0.72 -3.51 2.20 4.02 0.26 -5.00 117.16 111.61 3hb1 n TYR 294 Ca -0.02 -0.99 -0.22 0.00 -0.01 0.00 0.00 57.90 56.66 3hb1 n TYR 294 Cb 0.31 -0.29 0.05 0.00 -0.02 0.00 0.00 39.34 39.39 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 -0.81 -0.86 3.61 2.72 0.00 -0.62 -5.00 105.19 104.24 3hb1 n GLY 295 Ca 0.21 0.41 -0.24 0.00 0.00 0.00 0.00 46.02 46.40 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 -5.35 2.05 -0.01 1.61 3.01 0.15 -5.03 119.74 116.16 3hb1 s LYS 296 Ca 0.33 -1.73 -0.30 0.00 -1.01 0.00 0.00 55.97 53.25 3hb1 s LYS 296 Cb -0.08 -1.92 -0.05 0.00 -1.01 0.00 0.00 37.83 34.77 3hb1 s LYS 296 CO 0.80 0.17 1.42 0.34 0.51 0.00 0.00 175.35 178.58 3hb1 s ASP 297 N -3.69 6.84 0.23 2.83 2.15 -1.26 -4.56 116.67 119.21 3hb1 s ASP 297 Ca 0.34 2.10 -0.03 0.00 0.43 0.00 0.00 52.55 55.39 3hb1 s ASP 297 Cb -0.01 -2.56 0.24 0.00 -0.30 0.00 0.00 42.92 40.30 3hb1 s ASP 297 CO 0.19 -0.74 1.68 0.71 -0.17 0.00 0.00 175.17 176.84 3hb1 h THR 298 N 5.00 1.26 -0.68 1.71 1.35 -1.96 -2.31 112.91 117.28 3hb1 h THR 298 Ca -0.37 -1.19 -0.05 0.00 -0.55 0.00 0.00 66.41 64.24 3hb1 h THR 298 Cb 1.17 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 68.62 3hb1 h THR 298 CO 0.91 0.41 0.23 0.74 -0.25 0.00 0.00 175.52 177.56 3hb1 h THR 299 N 0.71 1.25 -0.35 6.82 2.02 -1.98 -1.78 112.91 119.60 3hb1 h THR 299 Ca 0.12 -0.85 -0.12 0.00 0.77 0.00 0.00 66.41 66.33 3hb1 h THR 299 Cb 0.61 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3hb1 h THR 299 CO 0.04 0.33 -0.24 0.74 0.37 0.00 0.00 175.52 176.76 3hb1 h THR 300 N 0.99 1.29 -0.28 3.16 2.02 -1.95 -2.22 112.91 115.91 3hb1 h THR 300 Ca 0.22 -1.38 0.06 0.00 0.77 0.00 0.00 66.41 66.08 3hb1 h THR 300 Cb 0.28 1.41 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 3hb1 h THR 300 CO -0.01 0.45 -0.14 -1.28 0.37 0.00 0.00 175.52 174.92 3hb1 h SER 301 N 0.57 -0.46 -0.50 4.18 0.87 -1.17 0.15 113.55 117.19 3hb1 h SER 301 Ca 0.07 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 3hb1 h SER 301 Cb 0.80 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 3hb1 h SER 301 CO 0.06 -0.17 0.00 0.58 -0.53 0.00 0.00 176.83 176.78 3hb1 h VAL 302 N -0.10 1.26 0.00 2.23 2.07 -1.28 0.22 116.25 120.64 3hb1 h VAL 302 Ca 0.15 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 3hb1 h VAL 302 Cb 0.32 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3hb1 h VAL 302 CO -0.34 0.39 -0.00 -0.09 0.02 0.00 0.00 177.57 177.54 3hb1 h ARG 303 N 0.86 -0.00 -0.48 1.57 2.43 -0.73 -0.68 114.38 117.34 3hb1 h ARG 303 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3hb1 h ARG 303 Cb 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3hb1 h ARG 303 CO 0.02 0.11 0.31 0.82 -1.51 0.00 0.00 179.97 179.72 3hb1 h ILE 304 N -0.11 1.13 -0.85 1.20 5.03 -0.49 -2.26 117.51 121.16 3hb1 h ILE 304 Ca -0.00 -0.25 0.05 0.00 -0.12 0.00 0.00 64.86 64.54 3hb1 h ILE 304 Cb 0.11 0.44 -0.06 0.00 -3.03 0.00 0.00 36.82 34.29 3hb1 h ILE 304 CO 0.00 0.13 0.53 1.23 -0.68 0.00 0.00 178.15 179.36 3hb1 h GLY 305 N 0.64 1.25 2.00 5.37 0.00 -0.26 -2.40 103.07 109.66 3hb1 h GLY 305 Ca 0.17 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 3hb1 h GLY 305 CO -0.04 0.31 -0.59 1.41 0.00 0.00 0.00 176.54 177.63 3hb1 h LEU 306 N 1.01 0.00 -0.21 3.11 3.38 -0.92 -2.30 115.31 119.39 3hb1 h LEU 306 Ca 0.35 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 3hb1 h LEU 306 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hb1 h LEU 306 CO -0.14 0.59 -0.24 0.24 0.09 0.00 0.00 178.44 178.98 3hb1 h MET 307 N 0.00 0.52 -0.35 1.13 2.86 -1.03 -1.30 114.93 116.76 3hb1 h MET 307 Ca -0.01 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 3hb1 h MET 307 Cb 1.13 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 3hb1 h MET 307 CO 0.08 0.88 0.19 0.52 1.06 0.00 0.00 176.91 179.63 3hb1 h MET 308 N 0.20 0.49 -0.61 1.72 2.86 -1.43 -0.63 114.93 117.52 3hb1 h MET 308 Ca 0.03 -0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.71 3hb1 h MET 308 Cb 0.79 -0.10 -0.08 0.00 0.06 0.00 0.00 31.60 32.28 3hb1 h MET 308 CO 0.06 0.40 0.22 1.49 1.06 0.00 0.00 176.91 180.13 3hb1 h GLU 309 N 0.44 0.37 -0.41 1.72 4.81 -1.34 0.58 114.58 120.76 3hb1 h GLU 309 Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3hb1 h GLU 309 Cb 0.06 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3hb1 h GLU 309 CO -0.02 0.25 0.27 1.49 -0.73 0.00 0.00 179.01 180.27 3hb1 h GLU 310 N 0.39 0.54 -0.37 1.92 4.57 -0.60 -2.25 114.58 118.78 3hb1 h GLU 310 Ca 0.31 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.37 3hb1 h GLU 310 Cb 0.40 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3hb1 h GLU 310 CO -0.32 0.36 -0.13 0.52 -1.18 0.00 0.00 179.01 178.26 3hb1 h MET 311 N 0.55 0.66 0.55 1.92 2.86 0.35 -0.52 114.93 121.30 3hb1 h MET 311 Ca 0.15 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3hb1 h MET 311 Cb -0.06 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.54 3hb1 h MET 311 CO -0.03 0.76 -0.27 0.82 1.06 0.00 0.00 176.91 179.25 3hb1 h ILE 312 N 0.60 0.45 0.00 -1.22 2.04 0.44 -2.06 117.51 117.76 3hb1 h ILE 312 Ca 0.10 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 3hb1 h ILE 312 Cb 0.56 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3hb1 h ILE 312 CO 0.04 0.01 -0.45 -0.26 0.00 0.00 0.00 178.15 177.49 3hb1 h PHE 313 N -0.79 0.00 -0.40 1.37 -1.00 -1.37 -0.70 116.94 114.05 3hb1 h PHE 313 Ca -0.08 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.61 3hb1 h PHE 313 Cb 0.59 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 3hb1 h PHE 313 CO -0.03 0.45 -0.13 -0.97 -1.61 0.00 0.00 178.31 176.03 3hb1 h ASN 314 N 0.00 0.80 -0.22 2.17 -0.73 -1.08 0.19 115.58 116.72 3hb1 h ASN 314 Ca -0.00 -0.38 -0.02 0.00 1.87 0.00 0.00 56.30 57.77 3hb1 h ASN 314 Cb 0.97 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.33 3hb1 h ASN 314 CO 0.06 1.00 0.07 0.25 -0.37 0.00 0.00 177.43 178.43 3hb1 h LEU 315 N 0.60 0.32 -0.03 0.34 6.46 -1.15 0.63 115.31 122.48 3hb1 h LEU 315 Ca 0.10 -0.20 0.02 0.00 -0.12 0.00 0.00 57.88 57.68 3hb1 h LEU 315 Cb 0.66 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 3hb1 h LEU 315 CO 0.05 0.43 -0.12 0.00 -0.62 0.00 0.00 178.44 178.18 3hb1 h ALA 316 N 0.89 -0.11 -0.13 1.25 0.00 -0.87 0.13 119.26 120.43 3hb1 h ALA 316 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hb1 h ALA 316 Cb 0.23 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hb1 h ALA 316 CO -0.00 -0.60 -0.08 -0.44 0.00 0.00 0.00 179.25 178.13 3hb1 h ASP 317 N -0.19 0.29 -0.55 0.00 3.32 -0.58 -1.51 116.42 117.20 3hb1 h ASP 317 Ca 0.05 -0.44 -0.11 0.00 0.02 0.00 0.00 57.03 56.56 3hb1 h ASP 317 Cb 0.26 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3hb1 h ASP 317 CO -0.14 0.66 -0.09 0.74 -1.72 0.00 0.00 179.24 178.69 3hb1 h THR 318 N -0.08 1.27 0.00 0.35 2.02 -0.77 -3.36 112.91 112.33 3hb1 h THR 318 Ca 0.03 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 3hb1 h THR 318 Cb 0.56 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3hb1 h THR 318 CO 0.02 0.44 -1.16 1.41 0.37 0.00 0.00 175.52 176.60 3hb1 n HIS 319 N -4.17 0.00 -1.36 3.16 8.25 0.46 -4.76 115.22 116.79 3hb1 n HIS 319 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 3hb1 n HIS 319 Cb 0.39 -0.09 0.20 0.00 1.12 0.00 0.00 29.99 31.61 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 -1.69 5.11 -3.99 2.41 4.77 -0.63 -4.89 117.00 118.09 3hb1 n LEU 320 Ca -0.01 -3.70 -0.32 0.00 -0.03 0.00 0.00 56.01 51.94 3hb1 n LEU 320 Cb 0.16 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 3hb1 n LEU 320 CO 0.07 1.17 -0.07 0.49 -1.33 0.00 0.00 177.39 177.72 3hb1 n PHE 321 N -1.10 -1.57 -0.11 -1.77 3.01 -1.19 -4.82 117.46 109.91 3hb1 n PHE 321 Ca 0.43 0.61 -0.01 0.00 1.01 0.00 0.00 57.45 59.49 3hb1 n PHE 321 Cb 1.27 -2.35 0.24 0.00 -0.01 0.00 0.00 39.48 38.63 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 -1.01 0.78 0.00 1.38 3.57 -1.54 0.02 116.94 120.13 3hb1 h PHE 322 Ca -0.50 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 60.93 3hb1 h PHE 322 Cb 1.33 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 3hb1 h PHE 322 CO 0.70 0.64 -0.07 -0.97 -2.23 0.00 0.00 178.31 176.37 3hb1 h ASN 323 N 0.75 0.00 0.00 0.41 -0.73 -1.83 -1.16 115.58 113.02 3hb1 h ASN 323 Ca 0.17 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.22 3hb1 h ASN 323 Cb 0.22 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.79 3hb1 h ASN 323 CO -0.01 0.07 -0.86 0.44 -0.37 0.00 0.00 177.43 176.71 3hb1 h ASP 324 N 0.00 0.00 1.13 1.15 3.45 -1.70 -3.41 116.42 117.04 3hb1 h ASP 324 Ca -0.00 -0.31 0.00 0.00 0.43 0.00 0.00 57.03 57.15 3hb1 h ASP 324 Cb 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3hb1 h ASP 324 CO 0.01 1.14 0.00 -0.07 -1.57 0.00 0.00 179.24 178.75 3hb1 h LEU 325 N -1.00 0.00 -0.46 1.55 3.38 -0.99 -3.37 115.31 114.42 3hb1 h LEU 325 Ca -0.18 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hb1 h LEU 325 Cb 0.92 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 3hb1 h LEU 325 CO -0.11 0.00 -0.12 -0.08 0.09 0.00 0.00 178.44 178.22 3hb1 h GLU 326 N 0.00 -0.00 0.00 1.13 4.81 -1.43 -1.58 114.58 117.50 3hb1 h GLU 326 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hb1 h GLU 326 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3hb1 h GLU 326 CO 0.00 -0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.03 3hb1 n ASP 327 N -5.34 0.00 0.03 1.04 8.00 -1.26 -3.06 116.55 115.96 3hb1 n ASP 327 Ca 0.04 -0.74 0.12 0.00 0.71 0.00 0.00 54.79 54.91 3hb1 n ASP 327 Cb 0.25 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.51 3hb1 n ASP 327 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hb1 n ASP 329 N -1.84 -0.06 -4.83 0.00 8.00 -1.17 -4.89 116.55 111.75 3hb1 n ASP 329 Ca 0.04 -1.08 -0.32 0.00 0.71 0.00 0.00 54.79 54.13 3hb1 n ASP 329 Cb 0.40 -1.33 -0.03 0.00 -0.02 0.00 0.00 41.12 40.13 3hb1 n ASP 329 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3hb1 s GLN 330 N -6.77 3.91 -0.21 -1.24 0.74 -1.26 -4.77 119.66 110.06 3hb1 s GLN 330 Ca 0.09 1.02 -0.21 0.00 0.05 0.00 0.00 55.36 56.30 3hb1 s GLN 330 Cb -0.05 -2.13 -0.19 0.00 1.10 0.00 0.00 33.01 31.74 3hb1 s GLN 330 CO 0.84 -0.30 0.19 -0.89 -0.55 0.00 0.00 175.29 174.57 3hb1 n ILE 331 N -1.48 1.54 -4.39 -2.34 5.41 -1.26 -4.32 119.36 112.52 3hb1 n ILE 331 Ca 0.07 -0.06 -0.21 0.00 1.00 0.00 0.00 62.75 63.55 3hb1 n ILE 331 Cb 0.54 -2.03 -0.13 0.00 -0.71 0.00 0.00 39.64 37.31 3hb1 n ILE 331 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3hb1 s HIS 332 N -2.38 1.28 0.32 1.39 5.04 -1.26 -1.54 115.29 118.14 3hb1 s HIS 332 Ca -0.29 -0.35 0.07 0.00 -1.54 0.00 0.00 55.06 52.95 3hb1 s HIS 332 Cb 0.06 -0.76 0.75 0.00 0.04 0.00 0.00 32.58 32.67 3hb1 s HIS 332 CO 0.59 0.04 1.82 -0.39 -2.34 0.00 0.00 174.74 174.46 3hb1 h VAL 333 N 4.50 0.78 -0.07 0.89 -1.51 -1.86 -1.90 116.25 117.08 3hb1 h VAL 333 Ca -0.38 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 3hb1 h VAL 333 Cb 1.18 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 3hb1 h VAL 333 CO 0.44 0.14 0.00 0.47 -1.23 0.00 0.00 177.57 177.39 3hb1 n ASP 334 N -4.65 0.47 0.30 4.19 8.00 -1.26 -4.31 116.55 119.29 3hb1 n ASP 334 Ca 0.21 -1.78 0.17 0.00 0.71 0.00 0.00 54.79 54.10 3hb1 n ASP 334 Cb 0.52 -0.05 0.98 0.00 -0.02 0.00 0.00 41.12 42.55 3hb1 n ASP 334 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3hb1 h ASP 335 N 0.56 0.00 -0.03 -2.24 5.19 -1.76 -2.52 116.42 115.62 3hb1 h ASP 335 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3hb1 h ASP 335 Cb 0.13 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3hb1 h ASP 335 CO 0.00 0.00 -0.40 1.33 -3.12 0.00 0.00 179.24 177.05 3hb1 n VAL 336 N -3.62 2.19 0.93 -1.35 0.24 -1.26 -4.75 118.33 110.71 3hb1 n VAL 336 Ca -0.02 -3.08 0.08 0.00 -2.04 0.00 0.00 64.34 59.28 3hb1 n VAL 336 Cb 0.12 -0.25 0.45 0.00 -1.47 0.00 0.00 33.84 32.69 3hb1 n VAL 336 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hb1 n SER 337 N -1.16 0.00 -0.12 -1.34 3.41 -0.95 -2.77 113.62 110.70 3hb1 n SER 337 Ca 0.20 -0.37 -0.11 0.00 -0.26 0.00 0.00 58.87 58.32 3hb1 n SER 337 Cb 0.71 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 3hb1 n SER 337 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hb1 h SER 338 N 0.00 0.70 -0.21 4.04 0.02 -1.85 -3.05 113.55 113.20 3hb1 h SER 338 Ca 0.00 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3hb1 h SER 338 Cb 0.03 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.38 3hb1 h SER 338 CO 0.00 0.91 0.00 0.47 -1.14 0.00 0.00 176.83 177.07 3hb1 n ASP 339 N -4.39 2.30 -4.63 3.07 8.00 -1.11 -4.83 116.55 114.95 3hb1 n ASP 339 Ca -0.02 -2.24 -0.37 0.00 0.71 0.00 0.00 54.79 52.87 3hb1 n ASP 339 Cb 0.35 -0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 3hb1 n ASP 339 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hb1 s ASP 340 N -0.43 6.07 0.00 -2.24 3.68 -1.16 -4.17 116.67 118.42 3hb1 s ASP 340 Ca 0.18 0.06 0.27 0.00 2.13 0.00 0.00 52.55 55.20 3hb1 s ASP 340 Cb 0.13 -2.11 0.90 0.00 -1.45 0.00 0.00 42.92 40.39 3hb1 s ASP 340 CO 0.07 0.02 1.68 -0.46 0.13 0.00 0.00 175.17 176.61 3hb1 n ASN 341 N 4.57 0.34 -0.02 -0.34 6.94 -1.26 -4.95 115.26 120.53 3hb1 n ASN 341 Ca -0.15 -0.06 -0.00 0.00 -0.02 0.00 0.00 54.58 54.35 3hb1 n ASN 341 Cb 0.52 -0.08 -0.00 0.00 -2.36 0.00 0.00 39.78 37.86 3hb1 n ASN 341 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hb1 n GLY 342 N 1.46 0.47 3.67 4.83 0.00 -1.26 -5.05 105.19 109.31 3hb1 n GLY 342 Ca 0.08 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 3hb1 n GLY 342 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hb1 s GLN 343 N -0.80 0.05 -0.17 1.61 -2.07 -1.26 -4.98 119.66 112.04 3hb1 s GLN 343 Ca 0.00 0.31 -0.27 0.00 -1.82 0.00 0.00 55.36 53.58 3hb1 s GLN 343 Cb 0.00 -1.71 -0.01 0.00 -1.09 0.00 0.00 33.01 30.20 3hb1 s GLN 343 CO 0.00 -2.94 0.93 0.34 -1.32 0.00 0.00 175.29 172.30 3hb1 s ASP 344 N -3.65 7.07 0.00 12.60 2.15 -1.26 -4.92 116.67 128.66 3hb1 s ASP 344 Ca 0.67 1.32 0.20 0.00 0.43 0.00 0.00 52.55 55.16 3hb1 s ASP 344 Cb -0.16 -2.50 0.55 0.00 -0.30 0.00 0.00 42.92 40.51 3hb1 s ASP 344 CO 0.57 -0.49 1.44 0.18 -0.17 0.00 0.00 175.17 176.70 3hb1 n LEU 345 N 5.49 2.55 -0.12 -1.34 4.77 -1.26 -4.36 117.00 122.73 3hb1 n LEU 345 Ca 0.08 -1.15 -0.05 0.00 -0.03 0.00 0.00 56.01 54.85 3hb1 n LEU 345 Cb 0.48 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3hb1 n LEU 345 CO 0.50 0.58 0.92 0.28 -1.33 0.00 0.00 177.39 178.34 3hb1 h SER 346 N 3.13 0.06 -0.02 -1.43 0.02 -2.04 -2.85 113.55 110.43 3hb1 h SER 346 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3hb1 h SER 346 Cb 0.70 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.30 3hb1 h SER 346 CO 0.00 0.07 -0.29 0.35 -1.14 0.00 0.00 176.83 175.82 3hb1 n THR 347 N -5.06 0.00 -1.98 -2.27 -2.24 -1.26 -4.98 114.28 96.49 3hb1 n THR 347 Ca 0.02 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 3hb1 n THR 347 Cb 0.16 1.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 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 -2.25 3.03 -0.78 4.78 5.04 -1.08 -4.96 117.35 121.13 3hb1 s TYR 348 Ca 0.21 0.87 -0.14 0.00 -2.44 0.00 0.00 57.07 55.58 3hb1 s TYR 348 Cb 0.18 -3.87 0.20 0.00 0.35 0.00 0.00 41.96 38.83 3hb1 s TYR 348 CO 0.46 -2.98 0.71 1.21 -1.34 0.00 0.00 175.55 173.62 3hb1 s ASN 349 N 0.68 6.60 0.23 4.32 2.47 -1.26 -4.92 114.94 123.06 3hb1 s ASN 349 Ca 0.64 -2.60 -0.07 0.00 0.42 0.00 0.00 52.86 51.25 3hb1 s ASN 349 Cb -0.43 -2.19 0.21 0.00 -1.45 0.00 0.00 41.25 37.40 3hb1 s ASN 349 CO 0.39 -0.59 1.86 -0.26 -3.72 0.00 0.00 177.10 174.77 3hb1 h PHE 350 N 7.86 1.23 -0.08 0.43 -1.00 -1.96 -3.19 116.94 120.22 3hb1 h PHE 350 Ca 0.05 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.84 3hb1 h PHE 350 Cb 1.04 -0.39 -0.04 0.00 3.61 0.00 0.00 35.95 40.17 3hb1 h PHE 350 CO 0.98 0.84 -0.14 0.66 -1.61 0.00 0.00 178.31 179.04 3hb1 h SER 351 N 1.26 -0.42 -2.18 2.17 4.64 -2.04 -3.09 113.55 113.89 3hb1 h SER 351 Ca 0.32 0.07 -0.79 0.00 -0.47 0.00 0.00 61.79 60.93 3hb1 h SER 351 Cb 0.01 0.20 -0.28 0.00 -0.31 0.00 0.00 62.40 62.01 3hb1 h SER 351 CO -0.05 -0.19 0.93 0.00 -0.87 0.00 0.00 176.83 176.65 3hb1 n ALA 352 N -2.51 6.10 -0.61 5.18 0.00 -1.21 -4.36 120.51 123.11 3hb1 n ALA 352 Ca -0.04 -4.49 0.02 0.00 0.00 0.00 0.00 53.44 48.93 3hb1 n ALA 352 Cb 0.20 -2.04 0.03 0.00 0.00 0.00 0.00 19.45 17.63 3hb1 n ALA 352 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hb1 n ASP 353 N -0.19 1.43 -3.01 0.00 3.85 -1.17 -4.98 116.55 112.48 3hb1 n ASP 353 Ca 0.48 -1.97 -0.13 0.00 -0.71 0.00 0.00 54.79 52.45 3hb1 n ASP 353 Cb 0.27 -0.10 0.01 0.00 -1.35 0.00 0.00 41.12 39.95 3hb1 n ASP 353 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hb1 n GLY 354 N -0.52 -1.41 2.94 6.12 0.00 -1.26 -5.12 105.19 105.94 3hb1 n GLY 354 Ca 0.03 0.99 -0.29 0.00 0.00 0.00 0.00 46.02 46.74 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 -2.02 2.09 0.00 1.61 5.36 -1.26 -5.09 117.98 118.68 3hb1 s PHE 355 Ca 0.21 -1.40 0.00 0.00 -0.96 0.00 0.00 56.93 54.79 3hb1 s PHE 355 Cb -0.04 -1.49 0.00 0.00 -0.34 0.00 0.00 43.02 41.15 3hb1 s PHE 355 CO 0.73 -0.69 0.00 0.41 -1.46 0.00 0.00 175.22 174.21 3hb1 n GLY 372 N 4.77 2.21 0.00 13.12 0.00 -1.26 -5.16 105.19 118.87 3hb1 n GLY 372 Ca -0.13 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3hb1 n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb1 n GLY 373 N 1.49 0.28 0.00 -0.02 0.00 -1.26 -4.88 105.19 100.80 3hb1 n GLY 373 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hb1 n GLY 373 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hb1 n VAL 374 N 0.00 0.00 0.27 1.61 0.31 -1.26 -4.44 118.33 114.82 3hb1 n VAL 374 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 3hb1 n VAL 374 Cb 0.14 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.01 3hb1 n VAL 374 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hb1 n ASP 375 N -0.88 0.48 0.04 4.52 2.03 -1.26 -3.76 116.55 117.71 3hb1 n ASP 375 Ca 0.00 -0.04 -0.15 0.00 0.52 0.00 0.00 54.79 55.11 3hb1 n ASP 375 Cb 0.00 1.15 -0.14 0.00 -0.72 0.00 0.00 41.12 41.41 3hb1 n ASP 375 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 3hb1 h TRP 376 N 0.00 0.36 -0.11 -0.67 7.01 -1.90 -3.31 115.95 117.33 3hb1 h TRP 376 Ca 0.00 -0.26 -0.04 0.00 2.11 0.00 0.00 58.89 60.70 3hb1 h TRP 376 Cb 0.88 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.92 3hb1 h TRP 376 CO 0.00 1.35 -0.13 0.52 -2.79 0.00 0.00 178.44 177.39 3hb1 h MET 377 N 0.05 0.17 -0.19 2.65 2.86 -1.78 -1.74 114.93 116.95 3hb1 h MET 377 Ca -0.26 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.15 3hb1 h MET 377 Cb 2.01 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.64 3hb1 h MET 377 CO 0.14 0.31 -0.63 0.00 1.06 0.00 0.00 176.91 177.78 3hb1 h ARG 378 N 0.16 0.69 0.00 1.72 3.08 -1.67 -2.17 114.38 116.20 3hb1 h ARG 378 Ca 0.03 -0.49 -0.09 0.00 0.07 0.00 0.00 59.98 59.51 3hb1 h ARG 378 Cb 0.33 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3hb1 h ARG 378 CO 0.02 1.11 -0.41 0.87 -1.07 0.00 0.00 179.97 180.49 3hb1 h LYS 379 N 0.51 0.00 0.10 0.04 1.57 -1.53 -1.38 116.57 115.88 3hb1 h LYS 379 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3hb1 h LYS 379 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3hb1 h LYS 379 CO 0.13 0.41 -0.05 1.25 -0.57 0.00 0.00 179.45 180.61 3hb1 h LEU 380 N 0.00 -0.12 -1.67 2.94 5.85 -1.24 -2.98 115.31 118.08 3hb1 h LEU 380 Ca -0.00 -0.45 0.15 0.00 0.84 0.00 0.00 57.88 58.42 3hb1 h LEU 380 Cb 0.75 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3hb1 h LEU 380 CO 0.05 0.45 0.48 0.00 -0.34 0.00 0.00 178.44 179.07 3hb1 h ALA 381 N -0.00 2.20 -0.66 1.25 0.00 -1.26 -0.28 119.26 120.50 3hb1 h ALA 381 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3hb1 h ALA 381 Cb 0.56 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3hb1 h ALA 381 CO 0.02 -0.39 0.08 0.74 0.00 0.00 0.00 179.25 179.70 3hb1 h PHE 382 N 0.32 1.18 -0.17 0.00 0.05 -1.21 -1.57 116.94 115.55 3hb1 h PHE 382 Ca 0.34 -0.17 -0.07 0.00 3.82 0.00 0.00 57.97 61.89 3hb1 h PHE 382 Cb 0.88 -0.32 -0.00 0.00 2.00 0.00 0.00 35.95 38.51 3hb1 h PHE 382 CO -0.00 1.00 -0.17 0.00 -0.18 0.00 0.00 178.31 178.96 3hb1 h ARG 383 N 1.03 0.41 -0.50 1.51 3.08 -0.92 -1.00 114.38 117.99 3hb1 h ARG 383 Ca 0.20 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3hb1 h ARG 383 Cb 0.47 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3hb1 h ARG 383 CO 0.02 0.79 0.22 1.88 -1.07 0.00 0.00 179.97 181.81 3hb1 h TYR 384 N 0.05 0.69 -0.17 3.04 -1.99 -1.32 0.90 116.97 118.18 3hb1 h TYR 384 Ca 0.03 -0.02 -0.19 0.00 2.00 0.00 0.00 58.73 60.54 3hb1 h TYR 384 Cb 0.71 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.22 3hb1 h TYR 384 CO 0.08 0.53 -0.66 -0.09 -0.00 0.00 0.00 178.16 178.02 3hb1 h ARG 385 N 0.70 0.66 -0.40 4.88 2.43 -1.19 -1.19 114.38 120.27 3hb1 h ARG 385 Ca 0.17 -0.48 -0.07 0.00 -0.81 0.00 0.00 59.98 58.79 3hb1 h ARG 385 Cb 0.10 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3hb1 h ARG 385 CO -0.02 1.10 -0.05 -0.09 -1.51 0.00 0.00 179.97 179.40 3hb1 h ARG 386 N 0.48 0.67 0.06 0.20 9.65 -0.60 0.73 114.38 125.57 3hb1 h ARG 386 Ca -0.02 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.68 3hb1 h ARG 386 Cb 1.25 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3hb1 h ARG 386 CO 0.13 0.72 -0.03 0.28 2.80 0.00 0.00 179.97 183.87 3hb1 h VAL 387 N 0.62 0.97 -1.00 0.20 2.07 -0.64 0.52 116.25 119.00 3hb1 h VAL 387 Ca 0.12 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.65 3hb1 h VAL 387 Cb 0.46 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 3hb1 h VAL 387 CO 0.02 0.03 0.63 0.50 0.02 0.00 0.00 177.57 178.77 3hb1 h LYS 388 N -0.13 1.00 -0.34 1.57 3.64 -0.59 -0.94 116.57 120.78 3hb1 h LYS 388 Ca -0.01 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3hb1 h LYS 388 Cb 0.11 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3hb1 h LYS 388 CO 0.01 0.66 0.03 0.93 -2.27 0.00 0.00 179.45 178.82 3hb1 h GLU 389 N 1.03 0.58 -0.52 1.90 5.08 -0.28 -1.54 114.58 120.83 3hb1 h GLU 389 Ca 0.48 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.73 3hb1 h GLU 389 Cb 0.42 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 3hb1 h GLU 389 CO -0.25 0.68 0.24 0.52 -1.00 0.00 0.00 179.01 179.20 3hb1 h MET 390 N 0.40 0.45 0.02 2.33 2.86 -0.12 -0.79 114.93 120.08 3hb1 h MET 390 Ca 0.10 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3hb1 h MET 390 Cb 0.39 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3hb1 h MET 390 CO 0.01 0.30 -0.01 -0.92 1.06 0.00 0.00 176.91 177.35 3hb1 h TYR 391 N 0.46 -0.02 -0.11 -0.22 3.20 -1.07 0.11 116.97 119.33 3hb1 h TYR 391 Ca 0.24 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.99 3hb1 h TYR 391 Cb 0.18 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3hb1 h TYR 391 CO -0.12 0.01 -0.44 -0.91 -1.64 0.00 0.00 178.16 175.06 3hb1 h ASN 392 N -0.05 0.27 1.48 -2.11 2.35 -0.98 0.26 115.58 116.80 3hb1 h ASN 392 Ca -0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3hb1 h ASN 392 Cb 0.05 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3hb1 h ASN 392 CO 0.00 0.68 -0.48 0.71 -1.65 0.00 0.00 177.43 176.69 3hb1 h THR 393 N 0.21 0.00 -0.01 2.81 1.35 -1.04 -3.36 112.91 112.88 3hb1 h THR 393 Ca 0.02 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 3hb1 h THR 393 Cb 0.87 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3hb1 h THR 393 CO 0.07 0.00 -0.10 -1.22 -0.25 0.00 0.00 175.52 174.02 3hb1 n TYR 394 N -2.84 0.00 -0.11 4.73 4.02 0.02 -4.66 117.16 118.31 3hb1 n TYR 394 Ca 0.02 0.00 0.26 0.00 -0.01 0.00 0.00 57.90 58.17 3hb1 n TYR 394 Cb 0.53 0.00 0.72 0.00 -0.02 0.00 0.00 39.34 40.57 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 1.14 0.00 -0.14 -0.72 2.10 -0.62 0.26 116.57 118.59 3hb1 h LYS 395 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3hb1 h LYS 395 Cb 0.29 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 3hb1 h LYS 395 CO 0.00 0.00 -0.03 0.09 -2.00 0.00 0.00 179.45 177.51 3hb1 n ASN 396 N -4.14 3.03 -2.78 7.07 3.02 -1.26 -4.17 115.26 116.02 3hb1 n ASN 396 Ca 0.16 -3.14 -0.10 0.00 -0.03 0.00 0.00 54.58 51.47 3hb1 n ASN 396 Cb 0.88 -0.50 0.08 0.00 -0.61 0.00 0.00 39.78 39.63 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 -0.99 -1.42 0.07 6.41 5.15 0.83 -4.97 115.26 120.35 3hb1 n ASN 397 Ca 0.20 -3.13 0.02 0.00 -0.60 0.00 0.00 54.58 51.07 3hb1 n ASN 397 Cb 0.79 1.07 0.38 0.00 -0.53 0.00 0.00 39.78 41.48 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 2.41 1.16 0.00 3.44 2.07 -1.63 -1.20 116.25 122.50 3hb1 h VAL 398 Ca -0.13 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 3hb1 h VAL 398 Cb 1.15 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3hb1 h VAL 398 CO 0.15 0.22 -0.19 1.23 0.02 0.00 0.00 177.57 179.00 3hb1 h GLY 399 N 0.70 0.00 1.59 2.17 0.00 -1.93 -1.54 103.07 104.05 3hb1 h GLY 399 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.22 3hb1 h GLY 399 CO 0.01 0.00 -0.76 -1.33 0.00 0.00 0.00 176.54 174.46 3hb1 h GLY 400 N 0.99 0.44 0.55 4.60 0.00 -1.59 -1.20 103.07 106.87 3hb1 h GLY 400 Ca -0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 3hb1 h GLY 400 CO 0.02 0.57 -0.16 -2.00 0.00 0.00 0.00 176.54 174.97 3hb1 h LEU 401 N 0.27 -0.39 -0.17 3.11 5.85 -0.98 -3.21 115.31 119.79 3hb1 h LEU 401 Ca -0.04 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3hb1 h LEU 401 Cb 1.34 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.47 3hb1 h LEU 401 CO 0.13 0.04 0.00 2.30 -0.34 0.00 0.00 178.44 180.57 3hb1 n ILE 402 N -5.12 0.59 -1.42 4.05 -5.35 -0.67 -5.01 119.36 106.44 3hb1 n ILE 402 Ca -0.09 0.04 0.19 0.00 -0.27 0.00 0.00 62.75 62.62 3hb1 n ILE 402 Cb 0.27 -0.80 -0.06 0.00 -1.74 0.00 0.00 39.64 37.31 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 0.73 -2.27 3.87 3.28 0.00 -0.45 -4.62 105.19 105.73 3hb1 n GLY 403 Ca 0.05 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 3hb1 n GLY 403 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hb1 s THR 404 N -2.73 4.85 -1.83 2.61 2.01 -1.26 -1.45 115.64 117.84 3hb1 s THR 404 Ca 0.00 0.58 0.30 0.00 0.31 0.00 0.00 61.69 62.88 3hb1 s THR 404 Cb 0.00 -3.64 0.61 0.00 0.01 0.00 0.00 72.50 69.48 3hb1 s THR 404 CO 0.00 -0.18 1.97 -0.81 -0.69 0.00 0.00 174.62 174.92 3hb1 n PRO 405 N -0.41 0.87 -0.18 4.92 -0.04 -1.26 -4.87 135.00 134.03 3hb1 n PRO 405 Ca 0.01 -0.23 0.05 0.00 -0.04 0.00 0.00 63.50 63.28 3hb1 n PRO 405 Cb 0.53 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.82 3hb1 n PRO 405 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3hb1 h LYS 406 N 0.57 0.79 -0.79 0.54 1.57 -1.78 -2.73 116.57 114.75 3hb1 h LYS 406 Ca 0.00 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.84 3hb1 h LYS 406 Cb 0.27 -0.18 -0.08 0.00 0.08 0.00 0.00 32.23 32.32 3hb1 h LYS 406 CO 0.00 0.52 0.42 -0.09 -0.57 0.00 0.00 179.45 179.74 3hb1 h ARG 407 N 0.82 0.66 -0.21 3.15 2.43 -1.52 -0.43 114.38 119.28 3hb1 h ARG 407 Ca 0.29 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.23 3hb1 h ARG 407 Cb 0.12 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3hb1 h ARG 407 CO -0.09 0.44 -0.62 0.93 -1.51 0.00 0.00 179.97 179.12 3hb1 h GLU 408 N 0.68 0.73 -0.89 0.20 3.07 -1.79 -1.35 114.58 115.23 3hb1 h GLU 408 Ca 0.40 -0.50 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3hb1 h GLU 408 Cb 0.45 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.39 3hb1 h GLU 408 CO -0.29 1.12 0.55 1.15 -1.40 0.00 0.00 179.01 180.15 3hb1 h THR 409 N 0.54 1.24 -0.07 1.13 2.02 -1.30 -1.81 112.91 114.66 3hb1 h THR 409 Ca -0.01 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3hb1 h THR 409 Cb 1.21 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3hb1 h THR 409 CO 0.13 0.24 0.00 -0.25 0.37 0.00 0.00 175.52 176.01 3hb1 h TRP 410 N 1.22 0.14 -0.44 3.16 7.01 -0.91 0.20 115.95 126.32 3hb1 h TRP 410 Ca 0.32 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.28 3hb1 h TRP 410 Cb -0.08 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 3hb1 h TRP 410 CO 0.00 0.39 0.21 -0.07 -2.79 0.00 0.00 178.44 176.19 3hb1 h LEU 411 N -0.16 0.55 -0.20 0.65 3.38 -1.03 0.24 115.31 118.74 3hb1 h LEU 411 Ca 0.02 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 3hb1 h LEU 411 Cb 0.34 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hb1 h LEU 411 CO 0.00 0.47 -0.87 1.56 0.09 0.00 0.00 178.44 179.70 3hb1 h GLN 412 N 0.62 0.56 -0.06 1.13 4.20 -1.24 -2.42 115.11 117.90 3hb1 h GLN 412 Ca 0.16 -0.52 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 3hb1 h GLN 412 Cb 0.07 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 3hb1 h GLN 412 CO -0.02 1.15 0.00 1.25 -0.67 0.00 0.00 178.83 180.54 3hb1 h LEU 413 N 0.35 0.10 -1.55 1.46 5.85 -0.34 -0.15 115.31 121.03 3hb1 h LEU 413 Ca -0.07 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 58.45 3hb1 h LEU 413 Cb 1.49 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.45 3hb1 h LEU 413 CO 0.16 0.38 0.45 0.03 -0.34 0.00 0.00 178.44 179.12 3hb1 h ARG 414 N -0.18 0.48 -0.07 1.25 2.47 -0.57 0.23 114.38 117.98 3hb1 h ARG 414 Ca 0.02 -0.03 -0.24 0.00 -1.26 0.00 0.00 59.98 58.47 3hb1 h ARG 414 Cb 0.33 -0.11 0.02 0.00 -1.65 0.00 0.00 29.97 28.56 3hb1 h ARG 414 CO 0.00 0.32 -0.87 0.00 0.56 0.00 0.00 179.97 179.98 3hb1 h ALA 415 N 1.66 0.20 -0.25 0.04 0.00 -1.10 -0.22 119.26 119.58 3hb1 h ALA 415 Ca 0.32 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hb1 h ALA 415 Cb 0.57 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hb1 h ALA 415 CO -0.10 0.64 0.09 0.93 0.00 0.00 0.00 179.25 180.82 3hb1 h GLU 416 N 0.41 0.39 -0.41 0.00 5.08 0.14 -2.63 114.58 117.56 3hb1 h GLU 416 Ca -0.09 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3hb1 h GLU 416 Cb 1.52 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 3hb1 h GLU 416 CO 0.18 0.44 0.23 1.25 -1.00 0.00 0.00 179.01 180.10 3hb1 h LEU 417 N 0.25 0.50 -1.55 1.33 6.46 -0.59 -1.88 115.31 119.84 3hb1 h LEU 417 Ca 0.08 -0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 3hb1 h LEU 417 Cb 0.20 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 3hb1 h LEU 417 CO -0.01 0.44 0.34 -0.08 -0.62 0.00 0.00 178.44 178.51 3hb1 h GLU 418 N 0.53 0.58 -0.08 1.25 4.57 -0.94 -0.99 114.58 119.49 3hb1 h GLU 418 Ca 0.14 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.20 3hb1 h GLU 418 Cb 0.04 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 3hb1 h GLU 418 CO -0.02 0.38 -0.28 0.00 -1.18 0.00 0.00 179.01 177.90 3hb1 h ALA 419 N 1.70 0.15 0.00 2.92 0.00 -1.11 0.29 119.26 123.22 3hb1 h ALA 419 Ca 0.20 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3hb1 h ALA 419 Cb 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hb1 h ALA 419 CO -0.05 0.17 -0.31 1.25 0.00 0.00 0.00 179.25 180.31 3hb1 h LEU 420 N -0.13 0.00 -1.79 0.00 6.46 -1.01 -2.48 115.31 116.35 3hb1 h LEU 420 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3hb1 h LEU 420 Cb 0.91 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.84 3hb1 h LEU 420 CO 0.06 0.31 0.00 0.35 -0.62 0.00 0.00 178.44 178.54 3hb1 n THR 421 N -3.84 0.55 -3.86 1.05 -2.24 -0.41 -4.94 114.28 100.59 3hb1 n THR 421 Ca -0.01 -0.62 -0.24 0.00 -2.27 0.00 0.00 64.05 60.91 3hb1 n THR 421 Cb 0.39 0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 0.94 -0.59 -2.15 3.42 8.00 -0.93 -2.20 116.55 123.04 3hb1 n ASP 422 Ca 0.17 -0.94 -0.18 0.00 0.71 0.00 0.00 54.79 54.56 3hb1 n ASP 422 Cb 0.44 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 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 -4.35 -2.01 0.16 0.64 4.77 0.07 -4.94 117.00 111.33 3hb1 n LEU 423 Ca -0.31 -0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.44 3hb1 n LEU 423 Cb 0.68 -2.53 -0.07 0.00 -2.33 0.00 0.00 43.42 39.17 3hb1 n LEU 423 CO 0.73 -0.06 0.61 -0.25 -1.33 0.00 0.00 177.39 177.08 3hb1 h TRP 424 N -0.36 -1.06 -0.81 -1.77 2.91 -1.68 -1.79 115.95 111.39 3hb1 h TRP 424 Ca -0.42 0.02 0.14 0.00 1.13 0.00 0.00 58.89 59.76 3hb1 h TRP 424 Cb 1.30 0.44 -0.06 0.00 -0.51 0.00 0.00 29.16 30.33 3hb1 h TRP 424 CO 0.45 -0.50 0.53 1.25 -1.03 0.00 0.00 178.44 179.14 3hb1 h LEU 425 N -0.68 0.50 -1.21 0.65 5.85 -1.89 0.42 115.31 118.95 3hb1 h LEU 425 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3hb1 h LEU 425 Cb 0.67 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 3hb1 h LEU 425 CO -0.17 0.26 0.50 0.74 -0.34 0.00 0.00 178.44 179.43 3hb1 h THR 426 N 0.53 1.21 -0.03 1.05 2.02 -1.73 -0.82 112.91 115.14 3hb1 h THR 426 Ca 0.40 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3hb1 h THR 426 Cb 0.78 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3hb1 h THR 426 CO -0.15 0.20 -0.05 0.45 0.37 0.00 0.00 175.52 176.34 3hb1 h HIS 427 N 1.05 0.10 -0.88 3.16 3.86 0.56 -2.99 115.15 120.01 3hb1 h HIS 427 Ca 0.28 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 3hb1 h HIS 427 Cb -0.09 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 3hb1 h HIS 427 CO 0.00 0.63 0.47 0.66 0.86 0.00 0.00 177.93 180.55 3hb1 h SER 428 N -0.45 1.10 -0.50 2.45 4.64 -1.19 -2.70 113.55 116.90 3hb1 h SER 428 Ca 0.00 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3hb1 h SER 428 Cb 0.62 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 3hb1 h SER 428 CO 0.01 0.88 0.22 -0.07 -0.87 0.00 0.00 176.83 177.01 3hb1 h LEU 429 N 1.23 0.71 -1.23 5.97 3.38 -1.20 -0.90 115.31 123.27 3hb1 h LEU 429 Ca 0.31 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.25 3hb1 h LEU 429 Cb 0.04 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3hb1 h LEU 429 CO -0.05 0.64 0.54 0.11 0.09 0.00 0.00 178.44 179.77 3hb1 h LYS 430 N 0.77 0.93 -0.02 1.13 1.57 -1.32 0.30 116.57 119.94 3hb1 h LYS 430 Ca 0.19 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 3hb1 h LYS 430 Cb 0.15 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.25 3hb1 h LYS 430 CO -0.02 0.61 -0.35 0.00 -0.57 0.00 0.00 179.45 179.13 3hb1 h ALA 431 N 1.54 0.06 -1.01 3.86 0.00 -1.44 -2.67 119.26 119.61 3hb1 h ALA 431 Ca 0.35 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3hb1 h ALA 431 Cb 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3hb1 h ALA 431 CO -0.12 0.17 0.66 -0.07 0.00 0.00 0.00 179.25 179.89 3hb1 h LEU 432 N -0.33 1.11 -0.69 0.00 3.38 -0.68 -1.67 115.31 116.44 3hb1 h LEU 432 Ca -0.04 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 3hb1 h LEU 432 Cb 1.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3hb1 h LEU 432 CO 0.07 0.76 -0.63 0.78 0.09 0.00 0.00 178.44 179.51 3hb1 h ASN 433 N 1.28 0.00 -0.26 -0.43 2.35 -0.47 -1.24 115.58 116.80 3hb1 h ASN 433 Ca 0.40 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.00 3hb1 h ASN 433 Cb -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3hb1 h ASN 433 CO -0.12 0.63 -0.41 0.25 -1.65 0.00 0.00 177.43 176.13 3hb1 h LEU 434 N 0.00 0.82 -0.48 1.61 5.85 -1.07 -0.99 115.31 121.06 3hb1 h LEU 434 Ca -0.01 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 3hb1 h LEU 434 Cb 1.15 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3hb1 h LEU 434 CO 0.08 1.18 0.24 0.40 -0.34 0.00 0.00 178.44 180.00 3hb1 h ILE 435 N 0.49 1.19 0.58 4.05 2.04 -1.22 -0.15 117.51 124.48 3hb1 h ILE 435 Ca 0.02 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3hb1 h ILE 435 Cb 1.01 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3hb1 h ILE 435 CO 0.09 0.20 -0.33 -1.13 0.00 0.00 0.00 178.15 176.99 3hb1 h ASN 436 N 0.63 -0.81 -0.41 1.72 -0.00 -1.11 -2.69 115.58 112.92 3hb1 h ASN 436 Ca 0.17 0.04 -0.01 0.00 -0.00 0.00 0.00 56.30 56.50 3hb1 h ASN 436 Cb 0.11 0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 38.63 3hb1 h ASN 436 CO -0.02 -0.53 0.24 0.77 -0.00 0.00 0.00 177.43 177.89 3hb1 h SER 437 N -0.85 0.52 -2.89 1.15 4.64 -1.10 -3.42 113.55 111.61 3hb1 h SER 437 Ca -0.07 -0.03 -0.53 0.00 -0.47 0.00 0.00 61.79 60.69 3hb1 h SER 437 Cb 0.68 -0.13 0.03 0.00 -0.31 0.00 0.00 62.40 62.66 3hb1 h SER 437 CO 0.09 0.42 0.83 -0.13 -0.87 0.00 0.00 176.83 177.17 3hb1 s ARG 438 N -5.42 4.26 0.24 4.77 0.52 -0.08 -4.91 118.95 118.34 3hb1 s ARG 438 Ca -0.08 2.22 -0.06 0.00 -0.52 0.00 0.00 55.73 57.28 3hb1 s ARG 438 Cb 0.17 -3.27 0.28 0.00 0.52 0.00 0.00 34.95 32.65 3hb1 s ARG 438 CO 0.74 -0.55 1.90 -1.00 0.02 0.00 0.00 175.30 176.42 3hb1 h PRO 439 N 7.03 1.19 -0.57 3.54 0.13 -1.83 -3.13 132.00 138.36 3hb1 h PRO 439 Ca -0.42 -0.07 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 3hb1 h PRO 439 Cb 1.20 -0.27 -0.09 0.00 0.13 0.00 0.00 31.00 31.98 3hb1 h PRO 439 CO 0.90 0.79 0.15 0.09 -0.23 0.00 0.00 178.00 179.69 3hb1 n ASN 440 N -4.46 4.43 -4.24 1.44 3.02 -1.26 -4.92 115.26 109.26 3hb1 n ASN 440 Ca 0.12 -3.22 -0.26 0.00 -0.03 0.00 0.00 54.58 51.19 3hb1 n ASN 440 Cb 0.06 -0.68 -0.15 0.00 -0.61 0.00 0.00 39.78 38.41 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 -0.70 1.03 -0.23 0.00 1.01 -0.73 -4.71 120.40 116.07 3hb1 s VAL 442 Ca 0.07 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 3hb1 s VAL 442 Cb -0.08 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3hb1 s VAL 442 CO 0.01 -0.09 0.07 0.20 0.00 0.00 0.00 175.10 175.29 3hb1 s ASN 443 N -1.30 5.32 0.05 3.32 0.01 -1.26 -0.91 114.94 120.17 3hb1 s ASN 443 Ca -0.00 -0.11 0.07 0.00 -0.71 0.00 0.00 52.86 52.10 3hb1 s ASN 443 Cb -0.08 -1.94 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 3hb1 s ASN 443 CO 0.01 0.03 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.76 3hb1 s VAL 444 N 1.24 1.50 -0.11 1.60 1.01 0.68 -4.72 120.40 121.60 3hb1 s VAL 444 Ca 0.05 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.87 3hb1 s VAL 444 Cb -0.14 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.91 3hb1 s VAL 444 CO 0.04 0.10 -0.22 -0.22 0.00 0.00 0.00 175.10 174.80 3hb1 s LEU 445 N -1.27 2.02 -0.24 3.92 2.96 -0.20 -0.20 118.68 125.68 3hb1 s LEU 445 Ca 0.05 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 3hb1 s LEU 445 Cb -0.09 -1.33 0.06 0.00 0.50 0.00 0.00 46.19 45.33 3hb1 s LEU 445 CO 0.02 0.12 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.45 3hb1 s VAL 446 N 0.54 1.36 0.06 1.68 1.01 0.47 -0.16 120.40 125.37 3hb1 s VAL 446 Ca -0.15 -1.16 0.07 0.00 0.00 0.00 0.00 61.98 60.74 3hb1 s VAL 446 Cb -0.17 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3hb1 s VAL 446 CO 0.05 -0.17 -0.18 0.28 0.00 0.00 0.00 175.10 175.08 3hb1 s THR 447 N 1.46 1.46 -1.20 3.92 -1.32 -0.49 -4.26 115.64 115.21 3hb1 s THR 447 Ca -0.04 -1.22 0.25 0.00 -1.21 0.00 0.00 61.69 59.48 3hb1 s THR 447 Cb -0.18 -1.30 0.32 0.00 -1.51 0.00 0.00 72.50 69.82 3hb1 s THR 447 CO -0.08 0.05 1.84 0.35 -2.21 0.00 0.00 174.62 174.57 3hb1 n THR 448 N 1.65 0.22 -2.14 5.08 -2.24 -1.26 -0.41 114.28 115.19 3hb1 n THR 448 Ca -0.18 0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.28 3hb1 n THR 448 Cb 0.54 -0.63 0.01 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.80 2.87 0.79 4.28 2.01 -1.26 -3.87 115.64 117.66 3hb1 s THR 449 Ca 0.18 0.63 -0.13 0.00 0.31 0.00 0.00 61.69 62.67 3hb1 s THR 449 Cb 0.17 -3.30 0.07 0.00 0.01 0.00 0.00 72.50 69.45 3hb1 s THR 449 CO 0.43 -0.03 1.18 -1.10 -0.69 0.00 0.00 174.62 174.41 3hb1 s GLN 450 N -2.87 1.80 0.07 4.92 -0.21 -1.26 -4.50 119.66 117.61 3hb1 s GLN 450 Ca 0.68 1.65 -0.34 0.00 0.02 0.00 0.00 55.36 57.37 3hb1 s GLN 450 Cb -0.30 -1.81 -0.17 0.00 1.00 0.00 0.00 33.01 31.73 3hb1 s GLN 450 CO 0.36 -2.07 1.52 1.25 -2.12 0.00 0.00 175.29 174.23 3hb1 h LEU 451 N -0.85 -1.25 -0.24 2.90 5.85 -1.91 -0.08 115.31 119.73 3hb1 h LEU 451 Ca -0.46 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.39 3hb1 h LEU 451 Cb 1.28 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 42.67 3hb1 h LEU 451 CO 0.47 -0.66 0.01 0.40 -0.34 0.00 0.00 178.44 178.32 3hb1 h ILE 452 N -1.02 0.84 -0.90 4.05 5.03 -1.92 -0.80 117.51 122.79 3hb1 h ILE 452 Ca -0.08 -0.03 0.02 0.00 -0.12 0.00 0.00 64.86 64.66 3hb1 h ILE 452 Cb 0.85 0.74 -0.05 0.00 -3.03 0.00 0.00 36.82 35.34 3hb1 h ILE 452 CO 0.00 0.02 0.59 -0.65 -0.68 0.00 0.00 178.15 177.43 3hb1 h PRO 453 N 0.09 1.14 -0.59 2.37 0.11 -1.94 -1.54 132.00 131.64 3hb1 h PRO 453 Ca 0.11 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 3hb1 h PRO 453 Cb 0.14 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 3hb1 h PRO 453 CO -0.19 0.75 0.32 0.00 -0.21 0.00 0.00 178.00 178.68 3hb1 h ALA 454 N 1.46 1.46 -0.18 -0.75 0.00 -0.15 -1.10 119.26 119.99 3hb1 h ALA 454 Ca 0.34 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 3hb1 h ALA 454 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3hb1 h ALA 454 CO -0.09 0.45 -0.48 -0.07 0.00 0.00 0.00 179.25 179.06 3hb1 h LEU 455 N 0.82 0.53 -0.55 0.00 3.38 -0.21 -1.70 115.31 117.58 3hb1 h LEU 455 Ca 0.21 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3hb1 h LEU 455 Cb 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hb1 h LEU 455 CO -0.03 0.93 0.19 0.00 0.09 0.00 0.00 178.44 179.62 3hb1 h ALA 456 N 1.09 0.71 0.43 1.53 0.00 -0.62 -1.10 119.26 121.30 3hb1 h ALA 456 Ca 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3hb1 h ALA 456 Cb 0.99 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3hb1 h ALA 456 CO 0.09 0.35 -0.21 0.87 0.00 0.00 0.00 179.25 180.36 3hb1 h LYS 457 N 0.75 -0.56 -0.84 0.00 1.57 -1.05 -0.32 116.57 116.12 3hb1 h LYS 457 Ca 0.18 0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.17 3hb1 h LYS 457 Cb 0.24 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 32.58 3hb1 h LYS 457 CO -0.01 -0.37 0.39 0.28 -0.57 0.00 0.00 179.45 179.17 3hb1 h VAL 458 N -0.58 0.63 -0.03 0.50 2.07 -1.14 0.13 116.25 117.81 3hb1 h VAL 458 Ca -0.06 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3hb1 h VAL 458 Cb 0.45 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3hb1 h VAL 458 CO 0.10 0.09 -0.02 -0.07 0.02 0.00 0.00 177.57 177.69 3hb1 h LEU 459 N 0.51 0.08 -1.84 2.57 3.38 -0.92 0.48 115.31 119.56 3hb1 h LEU 459 Ca 0.48 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3hb1 h LEU 459 Cb 0.78 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3hb1 h LEU 459 CO -0.43 0.51 -0.13 -0.07 0.09 0.00 0.00 178.44 178.41 3hb1 h LEU 460 N -0.35 0.00 -2.78 1.67 3.38 -0.34 -1.71 115.31 115.18 3hb1 h LEU 460 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hb1 h LEU 460 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hb1 h LEU 460 CO 0.01 0.13 0.00 -1.22 0.09 0.00 0.00 178.44 177.45 3hb1 n TYR 461 N -3.65 1.34 -2.47 1.13 4.02 0.38 -4.94 117.16 112.98 3hb1 n TYR 461 Ca -0.02 -0.53 -0.18 0.00 -0.01 0.00 0.00 57.90 57.16 3hb1 n TYR 461 Cb 0.25 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 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 1.00 -0.37 0.83 2.72 0.00 -0.64 -4.91 105.19 103.82 3hb1 n GLY 462 Ca 0.23 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.79 2.73 -0.30 0.99 4.77 0.17 -4.51 117.00 118.05 3hb1 n LEU 463 Ca -0.19 -0.95 0.04 0.00 -0.03 0.00 0.00 56.01 54.88 3hb1 n LEU 463 Cb 0.65 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.93 3hb1 n LEU 463 CO 0.28 0.47 1.14 1.23 -1.33 0.00 0.00 177.39 179.18 3hb1 h GLY 464 N 4.54 1.34 1.92 -0.72 0.00 -1.75 -1.93 103.07 106.47 3hb1 h GLY 464 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 3hb1 h GLY 464 CO 0.00 0.10 -0.44 1.48 0.00 0.00 0.00 176.54 177.68 3hb1 h SER 465 N 0.78 0.10 0.99 0.19 4.64 -1.79 -3.22 113.55 115.24 3hb1 h SER 465 Ca 0.42 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.60 3hb1 h SER 465 Cb 0.43 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3hb1 h SER 465 CO -0.27 0.53 -1.07 1.62 -0.87 0.00 0.00 176.83 176.77 3hb1 h VAL 466 N 0.08 0.39 -3.68 0.95 3.04 -1.74 -3.44 116.25 111.85 3hb1 h VAL 466 Ca 0.00 -1.69 -0.69 0.00 -1.01 0.00 0.00 66.70 63.31 3hb1 h VAL 466 Cb 0.81 1.95 -0.29 0.00 -2.01 0.00 0.00 31.29 31.75 3hb1 h VAL 466 CO 0.06 0.22 -0.63 -0.36 -1.01 0.00 0.00 177.57 175.85 3hb1 s PHE 467 N -3.07 3.23 0.19 3.17 0.40 -0.77 -4.84 117.98 116.29 3hb1 s PHE 467 Ca -0.01 -1.46 -0.30 0.00 -0.60 0.00 0.00 56.93 54.56 3hb1 s PHE 467 Cb 0.08 -2.23 -0.09 0.00 0.51 0.00 0.00 43.02 41.29 3hb1 s PHE 467 CO 0.79 -0.73 1.37 -1.25 0.70 0.00 0.00 175.22 176.10 3hb1 s PRO 468 N 1.38 4.34 0.56 0.24 0.04 -1.26 -4.80 135.00 135.50 3hb1 s PRO 468 Ca -0.02 2.14 0.28 0.00 0.04 0.00 0.00 61.00 63.44 3hb1 s PRO 468 Cb -0.19 -3.18 1.48 0.00 0.04 0.00 0.00 34.50 32.64 3hb1 s PRO 468 CO 0.02 -0.35 1.96 0.97 0.04 0.00 0.00 177.00 179.64 3hb1 h ILE 469 N 3.81 0.54 0.00 0.56 2.10 -1.98 0.36 117.51 122.90 3hb1 h ILE 469 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.50 3hb1 h ILE 469 Cb 1.21 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 3hb1 h ILE 469 CO 0.80 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 177.25 3hb1 n GLU 470 N -4.04 0.81 -0.10 2.19 4.71 -1.26 -2.69 120.64 120.26 3hb1 n GLU 470 Ca 0.09 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.30 3hb1 n GLU 470 Cb 0.63 -1.32 0.11 0.00 -1.01 0.00 0.00 31.44 29.85 3hb1 n GLU 470 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3hb1 n ASN 471 N -0.82 2.57 -4.75 1.62 4.13 0.13 -4.97 115.26 113.17 3hb1 n ASN 471 Ca 0.12 -1.77 -0.36 0.00 1.68 0.00 0.00 54.58 54.26 3hb1 n ASN 471 Cb 0.06 -0.13 -0.07 0.00 -1.54 0.00 0.00 39.78 38.09 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 -1.04 5.33 -0.04 2.41 -1.09 -1.09 -1.03 121.20 124.65 3hb1 s ILE 472 Ca 0.21 0.45 0.03 0.00 -2.23 0.00 0.00 60.65 59.11 3hb1 s ILE 472 Cb 0.12 -3.57 0.01 0.00 -1.58 0.00 0.00 42.46 37.43 3hb1 s ILE 472 CO 0.17 0.44 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.89 3hb1 s TYR 473 N 0.15 1.34 -0.38 3.97 1.51 0.78 -4.64 117.35 120.08 3hb1 s TYR 473 Ca 0.15 -0.41 -0.13 0.00 -1.01 0.00 0.00 57.07 55.67 3hb1 s TYR 473 Cb -0.13 -0.95 0.01 0.00 -0.11 0.00 0.00 41.96 40.78 3hb1 s TYR 473 CO 0.03 -0.18 0.26 0.45 -1.11 0.00 0.00 175.55 175.00 3hb1 s SER 474 N 0.33 5.98 -0.12 2.29 0.15 -0.59 -1.39 113.70 120.35 3hb1 s SER 474 Ca -0.08 -0.77 0.08 0.00 0.70 0.00 0.00 55.95 55.89 3hb1 s SER 474 Cb -0.12 -2.12 0.45 0.00 -1.71 0.00 0.00 66.02 62.53 3hb1 s SER 474 CO 0.02 -0.36 1.21 0.00 1.20 0.00 0.00 173.24 175.31 3hb1 n ALA 475 N 5.10 3.21 -0.31 5.45 0.00 0.46 -4.34 120.51 130.08 3hb1 n ALA 475 Ca -0.12 -1.05 -0.03 0.00 0.00 0.00 0.00 53.44 52.24 3hb1 n ALA 475 Cb 0.48 -1.06 0.08 0.00 0.00 0.00 0.00 19.45 18.95 3hb1 n ALA 475 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hb1 h THR 476 N 2.27 1.20 0.00 0.00 2.02 -1.73 -2.79 112.91 113.88 3hb1 h THR 476 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3hb1 h THR 476 Cb 1.27 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3hb1 h THR 476 CO 0.25 0.20 0.00 1.17 0.37 0.00 0.00 175.52 177.52 3hb1 n LYS 477 N -4.51 0.00 0.26 6.66 3.00 -1.26 -4.66 118.16 117.65 3hb1 n LYS 477 Ca 0.09 0.17 0.09 0.00 -0.00 0.00 0.00 58.31 58.66 3hb1 n LYS 477 Cb 0.03 -0.60 0.66 0.00 0.00 0.00 0.00 35.03 35.12 3hb1 n LYS 477 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 3hb1 h THR 478 N 0.00 0.90 0.00 3.15 1.35 -1.84 -3.49 112.91 112.98 3hb1 h THR 478 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3hb1 h THR 478 Cb 0.00 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3hb1 h THR 478 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 3hb1 n GLY 479 N -1.27 2.39 0.20 5.82 0.00 -1.05 -4.57 105.19 106.71 3hb1 n GLY 479 Ca -0.03 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 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 0.62 0.00 1.61 1.57 -1.92 -3.08 116.57 115.38 3hb1 h LYS 480 Ca 0.00 -0.54 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 3hb1 h LYS 480 Cb 0.00 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3hb1 h LYS 480 CO 0.00 1.16 -0.09 1.05 -0.57 0.00 0.00 179.45 181.00 3hb1 h GLU 481 N 0.41 0.00 0.07 3.15 4.11 -1.88 0.13 114.58 120.57 3hb1 h GLU 481 Ca -0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 3hb1 h GLU 481 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 3hb1 h GLU 481 CO 0.15 0.09 -0.04 0.77 0.07 0.00 0.00 179.01 180.06 3hb1 h SER 482 N 0.00 -0.09 -0.85 3.06 0.02 -1.79 -1.11 113.55 112.80 3hb1 h SER 482 Ca -0.00 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 60.56 3hb1 h SER 482 Cb 0.35 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 3hb1 h SER 482 CO 0.01 0.37 0.57 0.00 -1.14 0.00 0.00 176.83 176.64 3hb1 h PHE 484 N 1.15 0.42 -0.27 0.00 0.05 -0.69 0.68 116.94 118.28 3hb1 h PHE 484 Ca 0.31 -0.03 0.01 0.00 3.82 0.00 0.00 57.97 62.07 3hb1 h PHE 484 Cb -0.13 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 37.68 3hb1 h PHE 484 CO -0.00 0.43 0.17 1.49 -0.18 0.00 0.00 178.31 180.23 3hb1 h GLU 485 N 0.28 0.35 -0.94 1.51 4.81 -0.72 -0.86 114.58 119.01 3hb1 h GLU 485 Ca 0.09 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3hb1 h GLU 485 Cb 0.20 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 3hb1 h GLU 485 CO -0.01 0.23 0.61 -0.09 -0.73 0.00 0.00 179.01 179.03 3hb1 h ARG 486 N 0.36 1.15 -0.44 1.92 2.43 -0.80 0.13 114.38 119.13 3hb1 h ARG 486 Ca 0.10 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 3hb1 h ARG 486 Cb -0.03 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.25 3hb1 h ARG 486 CO -0.03 0.76 -0.24 0.82 -1.51 0.00 0.00 179.97 179.77 3hb1 h ILE 487 N 1.18 1.27 -0.51 1.20 2.04 -0.36 -0.16 117.51 122.18 3hb1 h ILE 487 Ca 0.37 -1.39 -0.11 0.00 1.00 0.00 0.00 64.86 64.73 3hb1 h ILE 487 Cb 0.01 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3hb1 h ILE 487 CO -0.11 0.47 -0.14 0.24 0.00 0.00 0.00 178.15 178.61 3hb1 h MET 488 N 0.77 0.97 -0.61 2.37 2.86 -0.59 -0.32 114.93 120.39 3hb1 h MET 488 Ca 0.10 -0.36 0.09 0.00 -2.06 0.00 0.00 59.70 57.46 3hb1 h MET 488 Cb 0.79 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.33 3hb1 h MET 488 CO 0.07 1.03 0.24 0.37 1.06 0.00 0.00 176.91 179.68 3hb1 h GLN 489 N 0.85 0.42 -0.25 1.72 5.75 -0.39 0.20 115.11 123.41 3hb1 h GLN 489 Ca 0.13 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 58.46 3hb1 h GLN 489 Cb 0.69 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.14 3hb1 h GLN 489 CO 0.05 0.28 -0.41 -0.09 -2.65 0.00 0.00 178.83 176.01 3hb1 h ARG 490 N 0.44 0.73 -0.01 1.69 1.12 -0.45 -3.33 114.38 114.56 3hb1 h ARG 490 Ca 0.30 -0.44 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 3hb1 h ARG 490 Cb 0.35 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.36 3hb1 h ARG 490 CO -0.29 1.06 -0.55 1.19 -3.11 0.00 0.00 179.97 178.28 3hb1 n PHE 491 N -4.18 0.00 0.00 2.20 3.01 -0.18 -5.08 117.46 113.23 3hb1 n PHE 491 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 3hb1 n PHE 491 Cb 0.54 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 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 1.43 0.40 0.13 1.37 0.00 0.67 -4.55 105.19 104.63 3hb1 n GLY 492 Ca 0.08 -1.84 0.07 0.00 0.00 0.00 0.00 46.02 44.33 3hb1 n GLY 492 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hb1 h ARG 493 N 0.00 0.00 0.00 1.61 0.11 -1.94 -3.31 114.38 110.85 3hb1 h ARG 493 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hb1 h ARG 493 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3hb1 h ARG 493 CO 0.00 0.15 0.00 1.63 0.10 0.00 0.00 179.97 181.85 3hb1 n LYS 494 N -2.90 0.09 -3.14 0.08 5.02 -1.26 -4.79 118.16 111.26 3hb1 n LYS 494 Ca -0.02 0.13 -0.34 0.00 -2.02 0.00 0.00 58.31 56.07 3hb1 n LYS 494 Cb 0.65 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 3hb1 n LYS 494 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hb1 s ALA 495 N -2.88 3.37 -0.36 7.82 0.00 -1.25 -4.59 121.76 123.87 3hb1 s ALA 495 Ca 0.13 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.02 3hb1 s ALA 495 Cb 0.14 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.49 3hb1 s ALA 495 CO 0.36 0.34 0.25 0.14 0.00 0.00 0.00 175.76 176.85 3hb1 s VAL 496 N -1.82 5.11 -0.03 0.00 -7.23 0.02 -4.96 120.40 111.50 3hb1 s VAL 496 Ca 0.50 -0.47 -0.18 0.00 -1.81 0.00 0.00 61.98 60.02 3hb1 s VAL 496 Cb -0.12 -3.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.04 3hb1 s VAL 496 CO 0.19 -0.13 0.50 -0.31 -0.31 0.00 0.00 175.10 175.04 3hb1 s TYR 497 N 1.67 3.66 -0.20 2.82 1.51 -1.26 -0.92 117.35 124.64 3hb1 s TYR 497 Ca 0.05 1.05 0.01 0.00 -1.01 0.00 0.00 57.07 57.17 3hb1 s TYR 497 Cb -0.18 -2.49 0.04 0.00 -0.11 0.00 0.00 41.96 39.22 3hb1 s TYR 497 CO 0.09 0.41 -0.11 0.08 -1.11 0.00 0.00 175.55 174.91 3hb1 s VAL 498 N -0.31 1.66 -0.29 0.71 1.01 -0.21 -3.65 120.40 119.32 3hb1 s VAL 498 Ca 0.27 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 3hb1 s VAL 498 Cb -0.17 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 3hb1 s VAL 498 CO 0.14 0.19 0.62 -0.69 0.00 0.00 0.00 175.10 175.37 3hb1 s VAL 499 N 1.39 4.95 -0.17 2.92 1.01 0.16 -0.70 120.40 129.97 3hb1 s VAL 499 Ca -0.01 0.92 -0.03 0.00 0.00 0.00 0.00 61.98 62.86 3hb1 s VAL 499 Cb -0.16 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3hb1 s VAL 499 CO -0.08 -0.09 -0.06 -0.63 0.00 0.00 0.00 175.10 174.24 3hb1 s ILE 500 N 2.57 3.57 0.00 2.22 1.01 -0.07 0.38 121.20 130.88 3hb1 s ILE 500 Ca 0.25 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3hb1 s ILE 500 Cb -0.15 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.75 3hb1 s ILE 500 CO 0.11 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.14 3hb1 n GLY 501 N 3.85 0.46 0.02 6.18 0.00 -0.97 -1.82 105.19 112.90 3hb1 n GLY 501 Ca -0.18 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 0.18 -4.99 1.61 5.75 -1.26 -1.76 116.55 116.08 3hb1 n ASP 502 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.59 3hb1 n ASP 502 Cb 0.00 1.87 0.01 0.00 -1.03 0.00 0.00 41.12 41.97 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 -4.52 1.72 0.09 6.12 0.00 -1.26 -4.89 107.32 104.57 3hb1 s GLY 503 Ca -0.08 -1.43 -0.16 0.00 0.00 0.00 0.00 44.72 43.05 3hb1 s GLY 503 CO 0.87 -1.28 1.41 -0.39 0.00 0.00 0.00 173.10 173.71 3hb1 h VAL 504 N 0.63 1.31 -0.52 1.40 -1.51 -1.99 -2.99 116.25 112.59 3hb1 h VAL 504 Ca -0.44 -1.39 0.10 0.00 -1.23 0.00 0.00 66.70 63.74 3hb1 h VAL 504 Cb 1.27 1.63 -0.09 0.00 -2.13 0.00 0.00 31.29 31.97 3hb1 h VAL 504 CO 0.51 0.44 -0.02 -0.08 -1.23 0.00 0.00 177.57 177.19 3hb1 h GLU 505 N 0.33 0.09 -0.29 5.19 4.81 -1.98 0.63 114.58 123.36 3hb1 h GLU 505 Ca 0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3hb1 h GLU 505 Cb 0.79 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 3hb1 h GLU 505 CO 0.06 0.06 0.19 0.93 -0.73 0.00 0.00 179.01 179.52 3hb1 h GLU 506 N 0.10 0.38 -0.42 1.92 5.08 -1.99 -0.78 114.58 118.87 3hb1 h GLU 506 Ca 0.26 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 3hb1 h GLU 506 Cb 0.40 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3hb1 h GLU 506 CO -0.45 0.25 -0.18 1.49 -1.00 0.00 0.00 179.01 179.12 3hb1 h GLU 507 N 0.39 0.86 -0.59 2.33 4.81 -1.03 -2.15 114.58 119.20 3hb1 h GLU 507 Ca 0.11 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 58.90 3hb1 h GLU 507 Cb -0.04 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3hb1 h GLU 507 CO -0.03 1.01 0.11 0.37 -0.73 0.00 0.00 179.01 179.74 3hb1 h GLN 508 N 0.68 0.96 -0.01 1.92 5.75 0.33 -2.48 115.11 122.25 3hb1 h GLN 508 Ca 0.10 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.28 3hb1 h GLN 508 Cb 0.74 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 3hb1 h GLN 508 CO 0.06 0.90 -0.32 0.78 -2.65 0.00 0.00 178.83 177.60 3hb1 h GLY 509 N 0.86 0.03 1.77 2.39 0.00 -1.06 -1.94 103.07 105.12 3hb1 h GLY 509 Ca 0.18 -0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 3hb1 h GLY 509 CO 0.01 0.02 -0.33 0.00 0.00 0.00 0.00 176.54 176.24 3hb1 h ALA 510 N 1.66 1.20 0.08 3.60 0.00 -0.96 -3.00 119.26 121.83 3hb1 h ALA 510 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hb1 h ALA 510 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hb1 h ALA 510 CO 0.04 0.53 -0.04 0.87 0.00 0.00 0.00 179.25 180.66 3hb1 h LYS 511 N 0.23 -0.10 -0.75 0.00 1.57 -0.97 0.60 116.57 117.15 3hb1 h LYS 511 Ca 0.03 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 3hb1 h LYS 511 Cb 0.70 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.90 3hb1 h LYS 511 CO 0.05 0.35 -0.39 0.87 -0.57 0.00 0.00 179.45 179.76 3hb1 h LYS 512 N -0.60 -0.11 -0.50 3.15 6.56 -1.34 0.16 116.57 123.89 3hb1 h LYS 512 Ca -0.01 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3hb1 h LYS 512 Cb 0.50 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 3hb1 h LYS 512 CO 0.02 -0.07 0.00 0.72 -2.06 0.00 0.00 179.45 178.05 3hb1 n HIS 513 N -5.43 0.60 -4.00 -1.35 8.25 -1.14 -4.92 115.22 107.23 3hb1 n HIS 513 Ca 0.05 -0.25 -0.31 0.00 -0.26 0.00 0.00 57.72 56.96 3hb1 n HIS 513 Cb 0.36 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 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 0.38 -1.45 -4.48 0.41 3.02 0.54 -4.95 115.26 108.74 3hb1 n ASN 514 Ca 0.11 -1.11 -0.35 0.00 -0.03 0.00 0.00 54.58 53.21 3hb1 n ASN 514 Cb 0.41 -2.62 -0.12 0.00 -0.61 0.00 0.00 39.78 36.84 3hb1 n ASN 514 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hb1 s MET 515 N -6.74 3.67 0.25 3.52 -1.94 0.20 -5.02 119.30 113.24 3hb1 s MET 515 Ca 0.15 -0.50 -0.30 0.00 -1.71 0.00 0.00 55.69 53.33 3hb1 s MET 515 Cb -0.07 -3.08 -0.14 0.00 2.01 0.00 0.00 34.83 33.56 3hb1 s MET 515 CO 0.92 0.07 1.30 -0.35 -0.01 0.00 0.00 175.02 176.94 3hb1 n PRO 516 N 4.08 1.83 -4.71 2.03 -0.04 -1.24 -4.53 135.00 132.42 3hb1 n PRO 516 Ca -0.17 0.65 -0.33 0.00 -0.04 0.00 0.00 63.50 63.60 3hb1 n PRO 516 Cb 0.52 -2.23 -0.13 0.00 -0.04 0.00 0.00 33.50 31.62 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 -0.39 2.85 -0.29 0.54 5.36 -1.26 -0.66 117.98 124.13 3hb1 s PHE 517 Ca 0.65 -0.29 0.02 0.00 -0.96 0.00 0.00 56.93 56.36 3hb1 s PHE 517 Cb -0.67 -1.77 0.07 0.00 -0.34 0.00 0.00 43.02 40.30 3hb1 s PHE 517 CO 0.54 0.06 -0.04 -0.46 -1.46 0.00 0.00 175.22 173.85 3hb1 s TRP 518 N -0.23 3.39 0.16 10.12 -0.11 0.16 -4.94 118.94 127.49 3hb1 s TRP 518 Ca 0.02 -2.40 -0.26 0.00 1.22 0.00 0.00 56.10 54.68 3hb1 s TRP 518 Cb -0.13 -2.23 -0.08 0.00 -1.50 0.00 0.00 33.47 29.54 3hb1 s TRP 518 CO 0.03 -0.89 0.79 0.50 -4.62 0.00 0.00 176.95 172.76 3hb1 s ARG 519 N 1.08 4.59 -0.26 5.86 3.52 -1.26 -2.28 118.95 130.20 3hb1 s ARG 519 Ca -0.03 1.18 -0.03 0.00 -0.13 0.00 0.00 55.73 56.72 3hb1 s ARG 519 Cb -0.20 -3.28 0.02 0.00 -1.56 0.00 0.00 34.95 29.93 3hb1 s ARG 519 CO -0.05 0.53 -0.03 0.42 -0.81 0.00 0.00 175.30 175.36 3hb1 s ILE 520 N -1.00 3.15 -0.02 4.11 1.09 -0.72 -4.91 121.20 122.89 3hb1 s ILE 520 Ca 0.37 -0.93 0.01 0.00 -1.10 0.00 0.00 60.65 58.99 3hb1 s ILE 520 Cb -0.23 -2.60 -0.01 0.00 -1.06 0.00 0.00 42.46 38.56 3hb1 s ILE 520 CO 0.26 0.18 0.02 -1.20 -0.10 0.00 0.00 174.94 174.10 3hb1 n SER 521 N 4.72 2.06 -3.27 3.58 7.64 -1.26 -4.16 113.62 122.92 3hb1 n SER 521 Ca -0.16 -0.30 -0.05 0.00 1.01 0.00 0.00 58.87 59.37 3hb1 n SER 521 Cb 0.47 1.01 0.01 0.00 -1.01 0.00 0.00 64.21 64.70 3hb1 n SER 521 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hb1 h HIS 523 N 2.00 1.12 -0.91 0.00 -0.00 -1.98 -2.11 115.15 113.28 3hb1 h HIS 523 Ca -0.28 0.03 0.15 0.00 -0.00 0.00 0.00 60.37 60.27 3hb1 h HIS 523 Cb 1.23 -0.35 -0.09 0.00 -0.00 0.00 0.00 27.41 28.19 3hb1 h HIS 523 CO 1.21 0.42 0.51 0.00 -0.00 0.00 0.00 177.93 180.08 3hb1 h ALA 524 N 1.55 1.40 -0.11 2.45 0.00 -1.99 -1.02 119.26 121.55 3hb1 h ALA 524 Ca 0.50 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.39 3hb1 h ALA 524 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hb1 h ALA 524 CO -0.27 -0.02 -0.34 -0.44 0.00 0.00 0.00 179.25 178.18 3hb1 h ASP 525 N 0.73 0.21 0.76 0.00 3.32 -1.73 -0.39 116.42 119.31 3hb1 h ASP 525 Ca 0.49 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.35 3hb1 h ASP 525 Cb 0.67 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3hb1 h ASP 525 CO -0.34 0.55 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.12 3hb1 h LEU 526 N 0.18 0.00 -0.01 1.55 3.38 -1.24 -2.26 115.31 116.92 3hb1 h LEU 526 Ca 0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 3hb1 h LEU 526 Cb 0.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.46 3hb1 h LEU 526 CO 0.05 0.54 -0.71 -0.08 0.09 0.00 0.00 178.44 178.33 3hb1 h GLU 527 N 0.00 0.49 -0.85 1.13 4.57 -0.74 -2.20 114.58 116.98 3hb1 h GLU 527 Ca -0.01 -0.52 0.09 0.00 -1.18 0.00 0.00 59.36 57.74 3hb1 h GLU 527 Cb 1.06 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.73 3hb1 h GLU 527 CO 0.07 1.16 0.50 0.00 -1.18 0.00 0.00 179.01 179.56 3hb1 h ALA 528 N 0.35 1.21 0.08 2.92 0.00 -0.96 0.53 119.26 123.39 3hb1 h ALA 528 Ca -0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hb1 h ALA 528 Cb 1.40 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hb1 h ALA 528 CO 0.14 0.16 -0.04 1.25 0.00 0.00 0.00 179.25 180.76 3hb1 h LEU 529 N 0.86 -0.10 -0.81 0.00 5.85 -1.41 -2.13 115.31 117.58 3hb1 h LEU 529 Ca 0.40 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 59.00 3hb1 h LEU 529 Cb 0.32 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 3hb1 h LEU 529 CO -0.23 0.15 0.47 -0.09 -0.34 0.00 0.00 178.44 178.41 3hb1 h ARG 530 N -0.35 0.79 -0.32 1.25 2.43 -0.83 -0.87 114.38 116.48 3hb1 h ARG 530 Ca -0.01 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3hb1 h ARG 530 Cb 0.29 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3hb1 h ARG 530 CO 0.02 0.52 0.13 1.25 -1.51 0.00 0.00 179.97 180.39 3hb1 h HIS 531 N 0.81 0.25 -0.77 2.20 2.76 -0.73 -1.17 115.15 118.51 3hb1 h HIS 531 Ca 0.38 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.54 3hb1 h HIS 531 Cb 0.30 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 3hb1 h HIS 531 CO -0.06 0.12 0.38 0.00 -1.30 0.00 0.00 177.93 177.08 3hb1 h ALA 532 N 1.19 1.23 -0.12 5.26 0.00 -0.74 -2.24 119.26 123.84 3hb1 h ALA 532 Ca 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hb1 h ALA 532 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hb1 h ALA 532 CO -0.12 0.60 -0.15 -0.07 0.00 0.00 0.00 179.25 179.51 3hb1 h LEU 533 N 1.08 0.18 -0.54 0.00 3.38 -0.54 -2.90 115.31 115.97 3hb1 h LEU 533 Ca 0.27 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3hb1 h LEU 533 Cb 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hb1 h LEU 533 CO -0.04 0.35 -0.26 -0.08 0.09 0.00 0.00 178.44 178.50 3hb1 h GLU 534 N 0.18 0.00 0.00 1.13 4.81 -0.62 -3.34 114.58 116.74 3hb1 h GLU 534 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3hb1 h GLU 534 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3hb1 h GLU 534 CO 0.02 0.26 -0.97 1.28 -0.73 0.00 0.00 179.01 178.87 3hb1 n LEU 535 N -3.26 0.70 -4.81 1.64 4.77 -1.08 -4.94 117.00 110.03 3hb1 n LEU 535 Ca 0.02 0.20 -0.36 0.00 -0.03 0.00 0.00 56.01 55.83 3hb1 n LEU 535 Cb 0.55 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 3hb1 n LEU 535 CO 0.36 -0.09 -0.18 -0.70 -1.33 0.00 0.00 177.39 175.45 3hb1 s GLU 536 N -3.28 3.76 -0.26 3.23 2.12 -1.23 -5.08 118.70 117.96 3hb1 s GLU 536 Ca 0.02 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.19 3hb1 s GLU 536 Cb 0.12 -3.28 0.06 0.00 0.26 0.00 0.00 34.13 31.29 3hb1 s GLU 536 CO 0.78 0.56 -0.08 0.71 -0.54 0.00 0.00 175.26 176.69 3hb1 s TYR 537 N -0.41 3.04 -2.66 5.30 1.51 -1.26 -5.02 117.35 117.85 3hb1 s TYR 537 Ca 0.12 -2.21 0.27 0.00 -1.01 0.00 0.00 57.07 54.24 3hb1 s TYR 537 Cb -0.12 -1.89 0.77 0.00 -0.11 0.00 0.00 41.96 40.62 3hb1 s TYR 537 CO 0.01 -0.86 1.59 1.28 -1.11 0.00 0.00 175.55 176.47