#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hb1 s HIS 266 N 0.00 -0.09 0.30 1.43 0.09 -1.26 -5.14 115.29 110.61 3hb1 s HIS 266 Ca 0.00 0.32 -0.27 0.00 -0.00 0.00 0.00 55.06 55.10 3hb1 s HIS 266 Cb 0.00 -0.10 -0.10 0.00 -0.00 0.00 0.00 32.58 32.39 3hb1 s HIS 266 CO 0.00 -0.11 0.96 1.41 -0.00 0.00 0.00 174.74 177.00 3hb1 s MET 267 N 0.85 4.65 -0.00 1.40 0.00 -1.26 -5.06 119.30 119.88 3hb1 s MET 267 Ca -0.07 1.42 0.07 0.00 0.00 0.00 0.00 55.69 57.12 3hb1 s MET 267 Cb -0.09 -2.96 -0.02 0.00 0.00 0.00 0.00 34.83 31.75 3hb1 s MET 267 CO -0.04 0.33 -0.23 -1.21 0.00 0.00 0.00 175.02 173.87 3hb1 s GLU 268 N -1.76 1.81 -0.02 4.11 2.02 -1.26 -4.79 118.70 118.80 3hb1 s GLU 268 Ca 0.47 -0.88 0.07 0.00 0.02 0.00 0.00 54.97 54.65 3hb1 s GLU 268 Cb -0.22 -1.80 -0.02 0.00 0.10 0.00 0.00 34.13 32.19 3hb1 s GLU 268 CO 0.28 0.49 -0.24 1.03 0.02 0.00 0.00 175.26 176.83 3hb1 s ARG 269 N -0.73 2.03 -0.16 1.61 0.52 0.10 -0.78 118.95 121.54 3hb1 s ARG 269 Ca 0.09 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.45 3hb1 s ARG 269 Cb -0.09 -1.93 0.02 0.00 0.52 0.00 0.00 34.95 33.47 3hb1 s ARG 269 CO -0.00 0.51 -0.19 0.08 0.02 0.00 0.00 175.30 175.72 3hb1 s VAL 270 N -0.52 1.89 -0.33 3.52 1.01 -0.60 -1.59 120.40 123.78 3hb1 s VAL 270 Ca 0.08 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 3hb1 s VAL 270 Cb -0.10 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.57 3hb1 s VAL 270 CO -0.00 0.51 0.18 -0.36 0.00 0.00 0.00 175.10 175.43 3hb1 s PHE 271 N 1.19 3.20 -0.50 5.22 0.40 -0.08 -1.39 117.98 126.01 3hb1 s PHE 271 Ca 0.01 -0.65 -0.16 0.00 -0.60 0.00 0.00 56.93 55.53 3hb1 s PHE 271 Cb -0.14 -2.39 0.09 0.00 0.51 0.00 0.00 43.02 41.08 3hb1 s PHE 271 CO -0.09 -0.50 0.47 0.08 0.70 0.00 0.00 175.22 175.88 3hb1 s VAL 272 N 1.61 5.15 0.32 -0.44 1.01 0.02 -0.80 120.40 127.27 3hb1 s VAL 272 Ca 0.04 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 3hb1 s VAL 272 Cb -0.18 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 3hb1 s VAL 272 CO 0.07 -0.71 0.59 0.26 0.00 0.00 0.00 175.10 175.31 3hb1 s TRP 273 N 1.84 3.48 0.35 5.22 0.52 0.51 -0.75 118.94 130.11 3hb1 s TRP 273 Ca 0.06 0.69 0.07 0.00 0.02 0.00 0.00 56.10 56.93 3hb1 s TRP 273 Cb -0.25 -2.15 -0.01 0.00 -1.15 0.00 0.00 33.47 29.91 3hb1 s TRP 273 CO 0.06 0.11 0.45 0.34 0.02 0.00 0.00 176.95 177.94 3hb1 s ASP 274 N -3.25 5.82 -0.10 2.95 2.15 -0.84 -0.78 116.67 122.62 3hb1 s ASP 274 Ca 0.45 -0.27 -0.12 0.00 0.43 0.00 0.00 52.55 53.04 3hb1 s ASP 274 Cb -0.11 -1.12 -0.04 0.00 -0.30 0.00 0.00 42.92 41.36 3hb1 s ASP 274 CO 0.31 -0.46 -0.23 -0.11 -0.17 0.00 0.00 175.17 174.50 3hb1 n LEU 275 N -1.62 1.63 -4.69 -1.34 7.94 -1.26 -4.13 117.00 113.53 3hb1 n LEU 275 Ca 0.01 0.26 -0.42 0.00 -1.11 0.00 0.00 56.01 54.75 3hb1 n LEU 275 Cb 0.58 -0.60 -0.03 0.00 0.53 0.00 0.00 43.42 43.91 3hb1 n LEU 275 CO 0.42 -0.35 1.06 -1.81 -1.11 0.00 0.00 177.39 175.60 3hb1 s ASP 276 N -6.02 6.91 -1.56 1.96 1.11 -1.26 -1.52 116.67 116.29 3hb1 s ASP 276 Ca -0.20 2.07 0.00 0.00 0.18 0.00 0.00 52.55 54.60 3hb1 s ASP 276 Cb 0.03 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.46 3hb1 s ASP 276 CO 0.29 -0.66 0.00 -0.62 1.18 0.00 0.00 175.17 175.36 3hb1 n GLU 277 N 5.03 -1.25 0.04 8.23 4.71 0.72 -4.74 120.64 133.38 3hb1 n GLU 277 Ca 0.12 1.00 0.00 0.00 -0.01 0.00 0.00 57.16 58.27 3hb1 n GLU 277 Cb 0.44 -5.23 0.00 0.00 -1.01 0.00 0.00 31.44 25.65 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 -2.46 0.75 -0.07 2.62 -1.04 -1.15 -4.60 114.28 108.33 3hb1 n THR 278 Ca -0.15 0.25 -0.22 0.00 -2.04 0.00 0.00 64.05 61.89 3hb1 n THR 278 Cb 0.54 -1.29 -0.12 0.00 -1.82 0.00 0.00 70.33 67.64 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 -3.17 1.63 -4.56 12.58 5.41 -0.58 -4.91 119.36 125.76 3hb1 n ILE 279 Ca 0.00 -0.48 -0.27 0.00 1.00 0.00 0.00 62.75 63.00 3hb1 n ILE 279 Cb 0.00 -1.73 -0.11 0.00 -0.71 0.00 0.00 39.64 37.09 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 -2.51 2.16 -0.24 1.39 -4.36 -0.88 -4.48 121.20 112.28 3hb1 s ILE 280 Ca -0.29 -2.10 0.01 0.00 -0.26 0.00 0.00 60.65 58.01 3hb1 s ILE 280 Cb 0.08 -2.81 0.04 0.00 1.25 0.00 0.00 42.46 41.02 3hb1 s ILE 280 CO 0.66 -0.11 -0.12 -0.63 0.24 0.00 0.00 174.94 174.98 3hb1 s ILE 281 N -2.65 2.39 0.09 8.37 -1.09 -1.26 -0.20 121.20 126.85 3hb1 s ILE 281 Ca 0.34 -1.25 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 3hb1 s ILE 281 Cb 0.05 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.70 3hb1 s ILE 281 CO 0.17 0.19 0.00 0.33 -1.23 0.00 0.00 174.94 174.40 3hb1 n PHE 282 N 4.56 -0.78 0.00 3.97 7.35 -1.26 -4.85 117.46 126.45 3hb1 n PHE 282 Ca -0.17 0.14 0.02 0.00 -0.76 0.00 0.00 57.45 56.68 3hb1 n PHE 282 Cb 0.46 0.49 0.37 0.00 0.35 0.00 0.00 39.48 41.15 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 0.52 -0.60 -5.13 3.86 -1.97 -2.09 115.15 109.75 3hb1 h HIS 283 Ca 0.00 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.36 3hb1 h HIS 283 Cb 0.00 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 3hb1 h HIS 283 CO 0.00 0.41 0.42 1.03 0.86 0.00 0.00 177.93 180.66 3hb1 h SER 284 N 0.53 0.05 0.49 2.45 0.87 -1.95 -0.83 113.55 115.17 3hb1 h SER 284 Ca 0.13 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.51 3hb1 h SER 284 Cb 0.11 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3hb1 h SER 284 CO -0.01 0.03 -0.81 -0.07 -0.53 0.00 0.00 176.83 175.43 3hb1 h LEU 285 N 0.06 0.30 0.00 2.23 3.38 -1.70 -2.92 115.31 116.66 3hb1 h LEU 285 Ca 0.28 -0.22 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 3hb1 h LEU 285 Cb 1.06 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3hb1 h LEU 285 CO -0.02 0.99 -0.89 -0.07 0.09 0.00 0.00 178.44 178.54 3hb1 h LEU 286 N 0.15 0.00 0.00 1.67 3.38 -1.23 -3.18 115.31 116.09 3hb1 h LEU 286 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hb1 h LEU 286 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3hb1 h LEU 286 CO 0.13 0.88 -0.39 0.35 0.09 0.00 0.00 178.44 179.50 3hb1 n THR 287 N -3.31 0.01 -0.91 0.22 -2.24 -1.04 -4.93 114.28 102.08 3hb1 n THR 287 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3hb1 n THR 287 Cb 0.89 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3hb1 n THR 287 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hb1 n GLY 288 N 1.49 0.66 0.26 3.38 0.00 -1.17 -4.90 105.19 104.92 3hb1 n GLY 288 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 1.26 0.59 2.61 1.35 -1.87 0.01 112.91 116.87 3hb1 h THR 289 Ca 0.00 -1.26 -0.03 0.00 -0.55 0.00 0.00 66.41 64.57 3hb1 h THR 289 Cb 0.07 1.17 0.01 0.00 -1.73 0.00 0.00 68.15 67.66 3hb1 h THR 289 CO 0.00 0.42 -0.28 0.15 -0.25 0.00 0.00 175.52 175.56 3hb1 h PHE 290 N 0.64 -0.73 -0.76 4.73 3.57 -1.86 0.23 116.94 122.75 3hb1 h PHE 290 Ca 0.10 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.73 3hb1 h PHE 290 Cb 0.66 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.60 3hb1 h PHE 290 CO 0.03 -0.41 0.51 0.00 -2.23 0.00 0.00 178.31 176.21 3hb1 h ALA 291 N -0.96 2.10 -0.28 2.41 0.00 -1.80 0.12 119.26 120.85 3hb1 h ALA 291 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3hb1 h ALA 291 Cb 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hb1 h ALA 291 CO 0.13 -0.31 -0.24 1.03 0.00 0.00 0.00 179.25 179.86 3hb1 h SER 292 N 0.42 0.70 0.26 0.00 0.87 -0.79 0.21 113.55 115.23 3hb1 h SER 292 Ca 0.37 -0.46 -0.18 0.00 -1.23 0.00 0.00 61.79 60.30 3hb1 h SER 292 Cb 0.84 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 3hb1 h SER 292 CO -0.12 1.01 -0.71 -0.09 -0.53 0.00 0.00 176.83 176.39 3hb1 h ARG 293 N 0.40 0.39 -0.43 2.24 2.43 0.15 -3.30 114.38 116.26 3hb1 h ARG 293 Ca 0.05 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3hb1 h ARG 293 Cb 0.80 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3hb1 h ARG 293 CO 0.06 0.95 0.00 0.66 -1.51 0.00 0.00 179.97 180.13 3hb1 n TYR 294 N -3.85 1.03 -3.27 2.20 4.02 0.22 -5.00 117.16 112.51 3hb1 n TYR 294 Ca -0.04 -0.67 -0.16 0.00 -0.01 0.00 0.00 57.90 57.02 3hb1 n TYR 294 Cb 0.69 -0.21 0.08 0.00 -0.02 0.00 0.00 39.34 39.88 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 0.40 -0.27 3.81 2.72 0.00 -0.60 -5.01 105.19 106.24 3hb1 n GLY 295 Ca 0.20 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -5.36 2.47 -0.16 1.61 -0.14 0.65 -5.04 119.74 113.77 3hb1 s LYS 296 Ca 0.10 -1.55 -0.29 0.00 -1.36 0.00 0.00 55.97 52.86 3hb1 s LYS 296 Cb -0.04 -2.27 -0.02 0.00 -1.68 0.00 0.00 37.83 33.82 3hb1 s LYS 296 CO 0.63 -0.05 1.34 0.34 -0.76 0.00 0.00 175.35 176.85 3hb1 s ASP 297 N -3.99 6.87 0.22 2.83 2.15 -1.26 -4.61 116.67 118.88 3hb1 s ASP 297 Ca 0.43 1.75 -0.08 0.00 0.43 0.00 0.00 52.55 55.08 3hb1 s ASP 297 Cb -0.02 -2.54 0.18 0.00 -0.30 0.00 0.00 42.92 40.25 3hb1 s ASP 297 CO 0.25 -0.82 1.82 0.71 -0.17 0.00 0.00 175.17 176.96 3hb1 h THR 298 N 5.56 1.26 -0.58 1.71 1.35 -1.95 0.19 112.91 120.44 3hb1 h THR 298 Ca -0.29 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 3hb1 h THR 298 Cb 1.12 0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 3hb1 h THR 298 CO 0.97 0.30 0.37 0.74 -0.25 0.00 0.00 175.52 177.65 3hb1 h THR 299 N 1.20 1.16 -0.21 6.82 2.02 -1.98 -0.35 112.91 121.58 3hb1 h THR 299 Ca 0.29 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 3hb1 h THR 299 Cb 0.09 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3hb1 h THR 299 CO -0.04 0.17 -0.02 0.74 0.37 0.00 0.00 175.52 176.73 3hb1 h THR 300 N 0.79 1.27 -0.40 3.16 2.02 -1.91 -1.58 112.91 116.26 3hb1 h THR 300 Ca 0.21 -0.95 0.07 0.00 0.77 0.00 0.00 66.41 66.51 3hb1 h THR 300 Cb -0.05 1.47 -0.09 0.00 -1.74 0.00 0.00 68.15 67.74 3hb1 h THR 300 CO -0.04 0.29 -0.45 -1.28 0.37 0.00 0.00 175.52 174.41 3hb1 h SER 301 N 0.14 -1.51 -0.72 4.18 0.87 -0.48 -0.18 113.55 115.86 3hb1 h SER 301 Ca 0.06 0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 3hb1 h SER 301 Cb 0.45 0.65 -0.03 0.00 -0.44 0.00 0.00 62.40 63.02 3hb1 h SER 301 CO 0.02 -0.38 0.28 0.58 -0.53 0.00 0.00 176.83 176.80 3hb1 h VAL 302 N -0.35 1.25 -0.16 2.23 2.07 -1.05 -0.63 116.25 119.61 3hb1 h VAL 302 Ca 0.13 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.88 3hb1 h VAL 302 Cb 0.59 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3hb1 h VAL 302 CO -0.58 0.32 -0.10 -0.09 0.02 0.00 0.00 177.57 177.15 3hb1 h ARG 303 N 1.04 -0.09 -0.41 1.57 2.43 -0.49 -0.12 114.38 118.31 3hb1 h ARG 303 Ca 0.24 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3hb1 h ARG 303 Cb 0.23 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3hb1 h ARG 303 CO -0.02 -0.06 0.25 0.82 -1.51 0.00 0.00 179.97 179.46 3hb1 h ILE 304 N -0.09 1.12 -0.84 1.20 1.08 -0.82 -1.06 117.51 118.09 3hb1 h ILE 304 Ca 0.10 -0.27 0.09 0.00 -0.39 0.00 0.00 64.86 64.39 3hb1 h ILE 304 Cb 0.23 0.57 -0.07 0.00 -3.07 0.00 0.00 36.82 34.48 3hb1 h ILE 304 CO -0.22 0.12 0.49 1.23 -0.69 0.00 0.00 178.15 179.08 3hb1 h GLY 305 N 0.54 1.30 1.14 5.37 0.00 -0.44 0.25 103.07 111.24 3hb1 h GLY 305 Ca 0.15 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 46.96 3hb1 h GLY 305 CO -0.03 0.16 -0.50 1.41 0.00 0.00 0.00 176.54 177.58 3hb1 h LEU 306 N 0.84 0.99 -0.35 3.11 3.38 -0.70 -0.38 115.31 122.19 3hb1 h LEU 306 Ca 0.40 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3hb1 h LEU 306 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3hb1 h LEU 306 CO -0.23 1.31 0.17 0.24 0.09 0.00 0.00 178.44 180.01 3hb1 h MET 307 N 0.70 0.51 -0.21 1.13 2.86 -0.62 -1.43 114.93 117.86 3hb1 h MET 307 Ca 0.03 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3hb1 h MET 307 Cb 1.10 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 3hb1 h MET 307 CO 0.11 0.47 -0.02 1.98 1.06 0.00 0.00 176.91 180.51 3hb1 h MET 308 N 0.43 0.39 -0.51 1.72 1.85 -0.96 -2.60 114.93 115.26 3hb1 h MET 308 Ca 0.12 -0.14 0.10 0.00 -0.61 0.00 0.00 59.70 59.17 3hb1 h MET 308 Cb 0.13 -0.03 -0.10 0.00 0.43 0.00 0.00 31.60 32.03 3hb1 h MET 308 CO -0.01 0.61 -0.21 1.49 -0.40 0.00 0.00 176.91 178.39 3hb1 h GLU 309 N 0.14 -0.09 -0.07 0.39 4.81 -0.93 -0.59 114.58 118.23 3hb1 h GLU 309 Ca 0.06 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3hb1 h GLU 309 Cb 0.45 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 3hb1 h GLU 309 CO 0.02 -0.06 -0.30 1.49 -0.73 0.00 0.00 179.01 179.42 3hb1 h GLU 310 N -0.09 -0.40 -1.00 1.92 4.57 -1.12 -1.49 114.58 116.97 3hb1 h GLU 310 Ca 0.24 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.54 3hb1 h GLU 310 Cb 0.46 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 29.06 3hb1 h GLU 310 CO -0.57 -0.26 0.63 0.52 -1.18 0.00 0.00 179.01 178.15 3hb1 h MET 311 N -0.41 1.05 0.26 1.92 2.86 -0.98 0.95 114.93 120.58 3hb1 h MET 311 Ca 0.08 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3hb1 h MET 311 Cb 0.53 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3hb1 h MET 311 CO -0.30 0.69 -0.13 0.82 1.06 0.00 0.00 176.91 179.05 3hb1 h ILE 312 N 1.08 0.76 -0.35 -1.22 2.04 -0.39 0.15 117.51 119.57 3hb1 h ILE 312 Ca 0.46 -0.08 -0.16 0.00 1.00 0.00 0.00 64.86 66.08 3hb1 h ILE 312 Cb 0.33 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3hb1 h ILE 312 CO -0.22 0.02 -0.41 -0.26 0.00 0.00 0.00 178.15 177.28 3hb1 h PHE 313 N -0.39 1.08 -0.33 1.37 0.05 -0.77 -1.85 116.94 116.09 3hb1 h PHE 313 Ca -0.04 -0.34 -0.02 0.00 3.82 0.00 0.00 57.97 61.39 3hb1 h PHE 313 Cb 0.30 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 38.01 3hb1 h PHE 313 CO -0.05 1.16 0.10 -0.97 -0.18 0.00 0.00 178.31 178.37 3hb1 h ASN 314 N 0.69 0.43 0.13 2.17 -0.73 0.99 -0.04 115.58 119.22 3hb1 h ASN 314 Ca 0.05 -0.05 -0.25 0.00 1.87 0.00 0.00 56.30 57.92 3hb1 h ASN 314 Cb 1.00 -0.11 0.01 0.00 0.27 0.00 0.00 38.32 39.50 3hb1 h ASN 314 CO 0.10 0.42 -1.00 0.25 -0.37 0.00 0.00 177.43 176.83 3hb1 h LEU 315 N 0.47 0.77 0.50 0.34 6.46 -0.83 -2.67 115.31 120.36 3hb1 h LEU 315 Ca 0.11 -0.61 -0.02 0.00 -0.12 0.00 0.00 57.88 57.24 3hb1 h LEU 315 Cb 0.15 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 3hb1 h LEU 315 CO -0.01 1.41 -0.24 0.00 -0.62 0.00 0.00 178.44 178.99 3hb1 h ALA 316 N 0.54 -0.67 0.23 1.25 0.00 -0.73 -0.94 119.26 118.93 3hb1 h ALA 316 Ca -0.11 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3hb1 h ALA 316 Cb 1.64 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.66 3hb1 h ALA 316 CO 0.19 -0.85 -0.44 -0.44 0.00 0.00 0.00 179.25 177.70 3hb1 h ASP 317 N -0.72 -1.28 0.47 0.00 3.32 -1.11 0.33 116.42 117.42 3hb1 h ASP 317 Ca -0.07 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3hb1 h ASP 317 Cb 0.54 0.46 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 3hb1 h ASP 317 CO 0.11 -0.54 -0.51 0.74 -1.72 0.00 0.00 179.24 177.33 3hb1 h THR 318 N -0.75 0.00 -0.02 0.35 2.02 -1.45 -3.20 112.91 109.85 3hb1 h THR 318 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3hb1 h THR 318 Cb 0.73 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3hb1 h THR 318 CO -0.19 0.00 -0.10 1.41 0.37 0.00 0.00 175.52 177.01 3hb1 n HIS 319 N -5.51 0.00 -2.00 3.16 8.25 -0.36 -4.54 115.22 114.21 3hb1 n HIS 319 Ca -0.12 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.37 3hb1 n HIS 319 Cb 0.46 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.69 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 0.80 2.26 -3.25 2.41 4.77 0.11 -4.89 117.00 119.21 3hb1 n LEU 320 Ca 0.10 -3.29 -0.24 0.00 -0.03 0.00 0.00 56.01 52.55 3hb1 n LEU 320 Cb 0.46 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3hb1 n LEU 320 CO 0.15 1.14 -0.09 0.49 -1.33 0.00 0.00 177.39 177.75 3hb1 n PHE 321 N -0.51 -0.79 -0.30 -1.77 3.01 -1.16 -4.73 117.46 111.20 3hb1 n PHE 321 Ca 0.16 0.39 0.11 0.00 1.01 0.00 0.00 57.45 59.12 3hb1 n PHE 321 Cb 0.87 -1.11 0.34 0.00 -0.01 0.00 0.00 39.48 39.57 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 -0.49 0.93 -0.57 1.38 3.57 -1.63 0.26 116.94 120.39 3hb1 h PHE 322 Ca -0.34 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.27 3hb1 h PHE 322 Cb 0.85 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 3hb1 h PHE 322 CO 0.46 0.33 0.38 -0.97 -2.23 0.00 0.00 178.31 176.29 3hb1 h ASN 323 N 0.78 0.40 0.00 0.41 -0.73 -1.85 0.47 115.58 115.06 3hb1 h ASN 323 Ca 0.48 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.65 3hb1 h ASN 323 Cb 0.69 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.20 3hb1 h ASN 323 CO -0.24 0.25 0.00 0.47 -0.37 0.00 0.00 177.43 177.54 3hb1 n ASP 324 N -4.47 0.00 0.30 1.15 10.43 0.68 -4.35 116.55 120.28 3hb1 n ASP 324 Ca 0.09 0.43 0.18 0.00 2.57 0.00 0.00 54.79 58.06 3hb1 n ASP 324 Cb 0.31 -0.48 0.91 0.00 1.84 0.00 0.00 41.12 43.70 3hb1 n ASP 324 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3hb1 h LEU 325 N 0.00 0.00 -0.18 0.64 3.38 -0.92 -2.98 115.31 115.25 3hb1 h LEU 325 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3hb1 h LEU 325 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3hb1 h LEU 325 CO 0.00 0.00 -0.06 -0.08 0.09 0.00 0.00 178.44 178.39 3hb1 h GLU 326 N 0.00 -0.02 0.00 1.13 4.81 -0.24 0.04 114.58 120.30 3hb1 h GLU 326 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3hb1 h GLU 326 Cb 0.51 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3hb1 h GLU 326 CO -0.00 -0.02 0.03 -3.47 -0.73 0.00 0.00 179.01 174.82 3hb1 n ASP 327 N -5.20 0.00 -0.87 1.04 2.03 -1.12 -2.91 116.55 109.51 3hb1 n ASP 327 Ca -0.03 0.08 -0.05 0.00 0.52 0.00 0.00 54.79 55.31 3hb1 n ASP 327 Cb 0.13 -0.08 -0.05 0.00 -0.72 0.00 0.00 41.12 40.40 3hb1 n ASP 327 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hb1 n ASP 329 N 0.00 -2.53 -4.03 0.00 8.00 -0.09 -4.98 116.55 112.92 3hb1 n ASP 329 Ca -0.21 0.77 -0.17 0.00 0.71 0.00 0.00 54.79 55.89 3hb1 n ASP 329 Cb 0.59 -0.81 0.08 0.00 -0.02 0.00 0.00 41.12 40.96 3hb1 n ASP 329 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3hb1 n GLN 330 N 1.21 0.24 -0.04 -1.24 -0.06 -1.26 -5.01 117.38 111.21 3hb1 n GLN 330 Ca 0.11 -2.17 -0.03 0.00 -2.00 0.00 0.00 57.00 52.91 3hb1 n GLN 330 Cb 0.36 -0.42 -0.14 0.00 -4.06 0.00 0.00 30.24 25.98 3hb1 n GLN 330 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 3hb1 n ILE 331 N -2.36 1.11 -3.66 1.69 5.41 -1.26 -4.51 119.36 115.78 3hb1 n ILE 331 Ca 0.13 -0.74 -0.15 0.00 1.00 0.00 0.00 62.75 62.99 3hb1 n ILE 331 Cb 0.45 -0.51 -0.07 0.00 -0.71 0.00 0.00 39.64 38.80 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 -2.80 -0.35 0.41 1.39 5.04 -1.26 -1.77 115.29 115.95 3hb1 s HIS 332 Ca -0.07 0.53 0.10 0.00 -1.54 0.00 0.00 55.06 54.07 3hb1 s HIS 332 Cb 0.08 0.22 0.90 0.00 0.04 0.00 0.00 32.58 33.83 3hb1 s HIS 332 CO 0.84 -0.50 2.01 -0.24 -2.34 0.00 0.00 174.74 174.51 3hb1 h VAL 333 N 3.42 1.01 -0.50 0.89 3.04 -1.87 -2.38 116.25 119.85 3hb1 h VAL 333 Ca -0.29 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3hb1 h VAL 333 Cb 1.17 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 3hb1 h VAL 333 CO 0.40 0.10 0.00 0.47 -1.01 0.00 0.00 177.57 177.53 3hb1 n ASP 334 N -4.47 2.97 0.01 3.17 8.00 -1.26 -4.44 116.55 120.53 3hb1 n ASP 334 Ca 0.07 -2.09 0.04 0.00 0.71 0.00 0.00 54.79 53.52 3hb1 n ASP 334 Cb 0.22 -0.38 0.17 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.93 0.03 -0.73 -2.24 9.92 -0.90 -2.52 116.55 121.05 3hb1 n ASP 335 Ca 0.18 0.51 0.04 0.00 -0.53 0.00 0.00 54.79 54.98 3hb1 n ASP 335 Cb 0.50 -0.52 0.06 0.00 -0.64 0.00 0.00 41.12 40.52 3hb1 n ASP 335 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 3hb1 n VAL 336 N -1.54 0.63 0.33 2.53 0.24 -1.26 -4.84 118.33 114.42 3hb1 n VAL 336 Ca 0.02 -1.12 0.22 0.00 -2.04 0.00 0.00 64.34 61.41 3hb1 n VAL 336 Cb 0.08 0.41 1.17 0.00 -1.47 0.00 0.00 33.84 34.04 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 0.42 0.00 -0.46 -1.34 4.64 -1.78 -2.95 113.55 112.08 3hb1 h SER 337 Ca -0.07 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.31 3hb1 h SER 337 Cb 1.42 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.46 3hb1 h SER 337 CO 0.03 0.00 0.16 0.77 -0.87 0.00 0.00 176.83 176.92 3hb1 h SER 338 N 0.00 0.17 -1.67 4.97 4.64 -1.88 -3.28 113.55 116.50 3hb1 h SER 338 Ca -0.00 0.05 -0.75 0.00 -0.47 0.00 0.00 61.79 60.62 3hb1 h SER 338 Cb 0.01 0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 61.97 3hb1 h SER 338 CO 0.00 0.13 1.78 0.47 -0.87 0.00 0.00 176.83 178.34 3hb1 n ASP 339 N -5.00 5.16 -1.97 4.97 10.43 -1.12 -4.88 116.55 124.14 3hb1 n ASP 339 Ca 0.04 -3.07 -0.06 0.00 2.57 0.00 0.00 54.79 54.27 3hb1 n ASP 339 Cb 0.17 -1.50 0.00 0.00 1.84 0.00 0.00 41.12 41.63 3hb1 n ASP 339 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3hb1 n ASP 340 N 4.40 -0.96 0.00 -2.24 2.03 -1.24 -3.44 116.55 115.10 3hb1 n ASP 340 Ca 0.39 -1.89 0.00 0.00 0.52 0.00 0.00 54.79 53.81 3hb1 n ASP 340 Cb 0.38 1.66 0.00 0.00 -0.72 0.00 0.00 41.12 42.44 3hb1 n ASP 340 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3hb1 n ASN 341 N -1.55 0.00 -3.37 1.67 0.23 -1.26 -5.04 115.26 105.94 3hb1 n ASN 341 Ca -0.02 -1.00 -0.21 0.00 -0.53 0.00 0.00 54.58 52.82 3hb1 n ASN 341 Cb 0.30 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.08 3hb1 n ASN 341 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hb1 n GLY 342 N 0.00 -0.41 3.97 4.83 0.00 -1.26 -5.01 105.19 107.30 3hb1 n GLY 342 Ca 0.00 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.95 2.33 -0.52 1.61 0.74 -1.26 -5.04 119.66 111.57 3hb1 s GLN 343 Ca 0.39 -0.80 -0.27 0.00 0.05 0.00 0.00 55.36 54.72 3hb1 s GLN 343 Cb -0.17 -2.42 0.03 0.00 1.10 0.00 0.00 33.01 31.55 3hb1 s GLN 343 CO 0.69 -0.92 1.06 0.16 -0.55 0.00 0.00 175.29 175.73 3hb1 s ASP 344 N -4.50 6.49 0.00 6.67 1.47 -1.26 -4.88 116.67 120.66 3hb1 s ASP 344 Ca 0.59 0.11 0.25 0.00 1.18 0.00 0.00 52.55 54.68 3hb1 s ASP 344 Cb -0.09 -2.50 0.80 0.00 -0.34 0.00 0.00 42.92 40.78 3hb1 s ASP 344 CO 0.40 -1.27 1.60 0.18 0.68 0.00 0.00 175.17 176.76 3hb1 n LEU 345 N 7.78 1.90 0.25 2.11 4.77 -1.26 -3.51 117.00 129.04 3hb1 n LEU 345 Ca 0.07 -0.69 0.16 0.00 -0.03 0.00 0.00 56.01 55.52 3hb1 n LEU 345 Cb 0.49 -0.04 0.58 0.00 -2.33 0.00 0.00 43.42 42.11 3hb1 n LEU 345 CO 0.68 0.35 0.95 0.28 -1.33 0.00 0.00 177.39 178.32 3hb1 h SER 346 N 2.82 0.00 0.00 -1.43 0.02 -2.02 -3.20 113.55 109.74 3hb1 h SER 346 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3hb1 h SER 346 Cb 0.60 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 3hb1 h SER 346 CO 0.00 0.00 -1.63 0.35 -1.14 0.00 0.00 176.83 174.41 3hb1 n THR 347 N -2.97 0.56 -1.72 -2.27 -2.24 -1.24 -5.01 114.28 99.39 3hb1 n THR 347 Ca 0.01 -0.38 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 3hb1 n THR 347 Cb 0.33 -0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 67.94 3hb1 n THR 347 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hb1 n TYR 348 N -2.28 2.65 -3.32 4.78 -0.00 -1.21 -4.96 117.16 112.82 3hb1 n TYR 348 Ca -0.14 0.29 -0.42 0.00 -0.00 0.00 0.00 57.90 57.63 3hb1 n TYR 348 Cb 0.73 -2.57 -0.09 0.00 -0.00 0.00 0.00 39.34 37.42 3hb1 n TYR 348 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 3hb1 s ASN 349 N 0.50 6.21 0.19 2.98 3.84 -1.26 -4.96 114.94 122.44 3hb1 s ASN 349 Ca 0.66 -0.49 0.10 0.00 0.21 0.00 0.00 52.86 53.35 3hb1 s ASN 349 Cb -0.54 -2.23 -0.03 0.00 -0.55 0.00 0.00 41.25 37.90 3hb1 s ASN 349 CO 0.47 -0.53 1.38 -0.26 -2.79 0.00 0.00 177.10 175.38 3hb1 h PHE 350 N 8.65 0.00 -0.00 0.43 -1.00 -1.92 -3.02 116.94 120.08 3hb1 h PHE 350 Ca -0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.51 3hb1 h PHE 350 Cb 1.12 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.68 3hb1 h PHE 350 CO 0.65 0.78 0.00 0.66 -1.61 0.00 0.00 178.31 178.80 3hb1 h SER 351 N 0.00 0.00 0.00 2.17 4.64 -2.03 -3.08 113.55 115.24 3hb1 h SER 351 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hb1 h SER 351 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 3hb1 h SER 351 CO 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 3hb1 n ALA 352 N -2.30 -0.04 -3.08 5.18 0.00 -1.14 -4.86 120.51 114.27 3hb1 n ALA 352 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 3hb1 n ALA 352 Cb 0.08 0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.60 3hb1 n ALA 352 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hb1 s ASP 353 N -2.56 -0.01 0.00 0.00 3.68 -1.17 -4.88 116.67 111.73 3hb1 s ASP 353 Ca 0.00 -0.19 0.00 0.00 2.13 0.00 0.00 52.55 54.49 3hb1 s ASP 353 Cb 0.00 0.24 0.00 0.00 -1.45 0.00 0.00 42.92 41.71 3hb1 s ASP 353 CO 0.00 -0.42 0.00 0.61 0.13 0.00 0.00 175.17 175.49 3hb1 n GLY 354 N 1.27 0.00 0.00 2.66 0.00 -1.26 -4.91 105.19 102.95 3hb1 n GLY 354 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3hb1 n GLY 354 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hb1 n PHE 355 N 0.00 0.00 -2.98 1.61 1.16 -1.26 -5.02 117.46 110.97 3hb1 n PHE 355 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.60 3hb1 n PHE 355 Cb 0.00 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3hb1 n PHE 355 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3hb1 n GLY 372 N 0.00 -1.93 0.00 4.97 0.00 -1.26 -5.06 105.19 101.91 3hb1 n GLY 372 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.59 0.00 2.01 -0.02 0.00 -1.26 -4.91 105.19 100.41 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 0.07 1.61 0.31 -1.26 -4.70 118.33 114.36 3hb1 n VAL 374 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3hb1 n VAL 374 Cb 0.00 -0.13 -0.13 0.00 -0.91 0.00 0.00 33.84 32.68 3hb1 n VAL 374 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3hb1 h ASP 375 N 0.00 0.13 -0.63 4.52 1.82 -2.01 -3.12 116.42 117.12 3hb1 h ASP 375 Ca 0.00 -0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.50 3hb1 h ASP 375 Cb 0.00 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 39.94 3hb1 h ASP 375 CO 0.00 1.11 0.38 -0.25 -1.61 0.00 0.00 179.24 178.86 3hb1 h TRP 376 N 0.02 0.84 -0.13 0.28 7.01 -1.91 -3.17 115.95 118.90 3hb1 h TRP 376 Ca -0.05 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 60.97 3hb1 h TRP 376 Cb 1.83 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 28.58 3hb1 h TRP 376 CO 0.02 0.57 -0.29 0.52 -2.79 0.00 0.00 178.44 176.47 3hb1 h MET 377 N 0.86 -0.26 -1.19 2.65 2.86 -1.82 -1.43 114.93 116.60 3hb1 h MET 377 Ca 0.23 0.02 0.34 0.00 -2.06 0.00 0.00 59.70 58.22 3hb1 h MET 377 Cb -0.02 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.64 3hb1 h MET 377 CO -0.04 -0.17 0.83 0.00 1.06 0.00 0.00 176.91 178.58 3hb1 h ARG 378 N -0.27 0.10 -0.48 1.72 -0.00 -1.57 0.80 114.38 114.69 3hb1 h ARG 378 Ca 0.02 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.98 59.43 3hb1 h ARG 378 Cb 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.27 3hb1 h ARG 378 CO -0.26 0.07 0.04 0.87 0.00 0.00 0.00 179.97 180.69 3hb1 h LYS 379 N 0.11 0.82 0.11 0.04 1.57 -1.29 -0.34 116.57 117.59 3hb1 h LYS 379 Ca 0.60 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 3hb1 h LYS 379 Cb 2.15 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.37 3hb1 h LYS 379 CO -0.11 0.84 -0.06 1.25 -0.57 0.00 0.00 179.45 180.81 3hb1 h LEU 380 N 0.68 -0.13 -2.13 2.94 6.46 0.81 -2.96 115.31 120.98 3hb1 h LEU 380 Ca 0.14 -0.40 0.07 0.00 -0.12 0.00 0.00 57.88 57.57 3hb1 h LEU 380 Cb 0.44 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 3hb1 h LEU 380 CO 0.02 0.37 0.31 0.00 -0.62 0.00 0.00 178.44 178.51 3hb1 h ALA 381 N 0.08 1.82 -0.01 1.25 0.00 -0.29 0.69 119.26 122.81 3hb1 h ALA 381 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3hb1 h ALA 381 Cb 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3hb1 h ALA 381 CO 0.03 -0.43 -0.61 0.74 0.00 0.00 0.00 179.25 178.98 3hb1 h PHE 382 N 0.00 0.05 0.02 0.00 0.05 -0.89 -2.12 116.94 114.04 3hb1 h PHE 382 Ca 0.11 -0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.88 3hb1 h PHE 382 Cb 0.72 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.67 3hb1 h PHE 382 CO 0.00 0.64 -0.01 0.00 -0.18 0.00 0.00 178.31 178.76 3hb1 h ARG 383 N 0.03 -0.02 0.00 1.51 2.47 0.53 -0.70 114.38 118.20 3hb1 h ARG 383 Ca -0.01 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 3hb1 h ARG 383 Cb 1.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 3hb1 h ARG 383 CO 0.08 0.40 -0.24 1.88 0.56 0.00 0.00 179.97 182.65 3hb1 h TYR 384 N -0.44 0.00 -0.20 3.04 -1.99 -1.47 0.38 116.97 116.29 3hb1 h TYR 384 Ca -0.00 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 3hb1 h TYR 384 Cb 0.43 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.15 3hb1 h TYR 384 CO 0.07 0.24 -0.10 -0.09 -0.00 0.00 0.00 178.16 178.27 3hb1 h ARG 385 N 0.00 0.42 -0.58 4.88 2.43 -1.29 -1.27 114.38 118.96 3hb1 h ARG 385 Ca -0.00 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 3hb1 h ARG 385 Cb 0.42 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3hb1 h ARG 385 CO 0.03 0.72 0.21 -0.09 -1.51 0.00 0.00 179.97 179.32 3hb1 h ARG 386 N 0.11 0.89 -0.04 0.20 9.65 -0.33 -1.70 114.38 123.16 3hb1 h ARG 386 Ca 0.04 -0.18 0.01 0.00 -1.10 0.00 0.00 59.98 58.75 3hb1 h ARG 386 Cb 0.60 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 3hb1 h ARG 386 CO 0.03 0.78 -0.01 0.28 2.80 0.00 0.00 179.97 183.85 3hb1 h VAL 387 N 0.81 0.96 -0.26 0.20 2.07 -0.24 -1.98 116.25 117.82 3hb1 h VAL 387 Ca 0.19 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 3hb1 h VAL 387 Cb 0.24 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 3hb1 h VAL 387 CO -0.01 0.00 -0.29 0.50 0.02 0.00 0.00 177.57 177.79 3hb1 h LYS 388 N -0.00 -0.28 -0.26 1.57 3.64 -0.99 -1.34 116.57 118.91 3hb1 h LYS 388 Ca 0.02 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3hb1 h LYS 388 Cb 0.03 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 3hb1 h LYS 388 CO -0.04 -0.19 -0.51 0.93 -2.27 0.00 0.00 179.45 177.38 3hb1 h GLU 389 N -0.29 -0.45 -0.97 1.90 5.08 -0.88 -1.88 114.58 117.09 3hb1 h GLU 389 Ca 0.14 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 3hb1 h GLU 389 Cb 0.51 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 3hb1 h GLU 389 CO -0.42 -0.30 0.62 0.52 -1.00 0.00 0.00 179.01 178.42 3hb1 h MET 390 N -0.47 1.09 -0.82 2.33 2.86 -0.97 0.11 114.93 119.05 3hb1 h MET 390 Ca 0.07 -0.07 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3hb1 h MET 390 Cb 0.63 -0.25 -0.07 0.00 0.06 0.00 0.00 31.60 31.98 3hb1 h MET 390 CO -0.50 0.72 0.48 -0.92 1.06 0.00 0.00 176.91 177.74 3hb1 h TYR 391 N 1.12 0.87 0.00 -0.22 3.20 -0.56 0.24 116.97 121.62 3hb1 h TYR 391 Ca 0.42 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.29 3hb1 h TYR 391 Cb 0.17 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 3hb1 h TYR 391 CO -0.01 0.37 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.81 3hb1 h ASN 392 N 0.81 0.00 0.82 -2.11 2.35 -0.33 0.43 115.58 117.55 3hb1 h ASN 392 Ca 0.39 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.02 3hb1 h ASN 392 Cb 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3hb1 h ASN 392 CO -0.23 0.16 -1.26 0.71 -1.65 0.00 0.00 177.43 175.16 3hb1 h THR 393 N 0.00 0.38 -0.02 2.81 1.35 0.13 -3.38 112.91 114.17 3hb1 h THR 393 Ca -0.00 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 3hb1 h THR 393 Cb 0.92 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3hb1 h THR 393 CO 0.02 0.22 0.00 -1.22 -0.25 0.00 0.00 175.52 174.29 3hb1 n TYR 394 N -2.85 0.03 -0.09 4.73 4.02 0.74 -4.64 117.16 119.10 3hb1 n TYR 394 Ca -0.07 -0.20 0.26 0.00 -0.01 0.00 0.00 57.90 57.89 3hb1 n TYR 394 Cb 0.76 -0.02 0.70 0.00 -0.02 0.00 0.00 39.34 40.76 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 0.31 0.00 0.00 -0.72 2.10 -0.29 0.22 116.57 118.19 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 0.26 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.56 3hb1 h LYS 395 CO 0.00 0.00 -0.27 0.09 -2.00 0.00 0.00 179.45 177.27 3hb1 n ASN 396 N -3.84 1.87 -2.72 7.07 3.02 -1.26 -3.81 115.26 115.58 3hb1 n ASN 396 Ca 0.16 -3.23 -0.08 0.00 -0.03 0.00 0.00 54.58 51.40 3hb1 n ASN 396 Cb 0.96 -0.44 0.09 0.00 -0.61 0.00 0.00 39.78 39.78 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 -1.11 -1.05 0.28 6.41 5.15 0.74 -4.93 115.26 120.76 3hb1 n ASN 397 Ca 0.15 -2.73 0.15 0.00 -0.60 0.00 0.00 54.58 51.55 3hb1 n ASN 397 Cb 0.69 0.70 0.84 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 2.32 0.39 -0.09 3.44 2.07 -1.72 -1.47 116.25 121.18 3hb1 h VAL 398 Ca -0.19 -0.36 -0.17 0.00 0.82 0.00 0.00 66.70 66.80 3hb1 h VAL 398 Cb 1.22 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3hb1 h VAL 398 CO 0.12 0.07 -0.67 1.23 0.02 0.00 0.00 177.57 178.34 3hb1 h GLY 399 N 0.72 0.41 0.84 2.17 0.00 -1.91 -1.45 103.07 103.85 3hb1 h GLY 399 Ca -0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 3hb1 h GLY 399 CO 0.01 0.49 -0.22 -1.33 0.00 0.00 0.00 176.54 175.49 3hb1 h GLY 400 N 1.32 0.55 1.01 4.60 0.00 -1.63 -1.56 103.07 107.36 3hb1 h GLY 400 Ca -0.02 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 3hb1 h GLY 400 CO 0.11 0.52 -0.37 -2.00 0.00 0.00 0.00 176.54 174.80 3hb1 h LEU 401 N 0.18 -0.88 -1.65 3.11 5.85 -1.42 -2.91 115.31 117.58 3hb1 h LEU 401 Ca 0.03 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3hb1 h LEU 401 Cb 0.77 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3hb1 h LEU 401 CO 0.05 -0.63 0.28 -0.29 -0.34 0.00 0.00 178.44 177.51 3hb1 h ILE 402 N -1.05 1.04 -0.06 4.05 6.09 -1.33 -3.48 117.51 122.77 3hb1 h ILE 402 Ca -0.11 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 3hb1 h ILE 402 Cb 0.80 0.54 -0.00 0.00 0.47 0.00 0.00 36.82 38.63 3hb1 h ILE 402 CO 0.17 0.08 -0.00 0.61 -3.07 0.00 0.00 178.15 175.95 3hb1 n GLY 403 N -1.49 -2.10 3.51 8.18 0.00 -0.59 -4.69 105.19 108.01 3hb1 n GLY 403 Ca 0.04 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.10 2.98 -0.46 2.61 2.01 -1.26 -0.78 115.64 120.65 3hb1 s THR 404 Ca 0.00 -1.39 0.03 0.00 0.31 0.00 0.00 61.69 60.63 3hb1 s THR 404 Cb 0.00 -2.36 0.21 0.00 0.01 0.00 0.00 72.50 70.36 3hb1 s THR 404 CO 0.00 0.14 1.06 -0.81 -0.69 0.00 0.00 174.62 174.32 3hb1 n PRO 405 N 0.88 1.75 0.09 4.92 -0.04 -1.26 -4.92 135.00 136.41 3hb1 n PRO 405 Ca -0.15 -0.89 -0.13 0.00 -0.04 0.00 0.00 63.50 62.29 3hb1 n PRO 405 Cb 0.52 -1.53 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.72 0.29 -0.73 0.54 1.57 -1.81 -3.15 116.57 114.00 3hb1 h LYS 406 Ca 0.09 -0.39 0.05 0.00 -1.87 0.00 0.00 60.65 58.53 3hb1 h LYS 406 Cb 1.23 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.62 3hb1 h LYS 406 CO 0.23 1.12 0.44 -0.09 -0.57 0.00 0.00 179.45 180.58 3hb1 h ARG 407 N 0.13 0.79 -0.23 3.15 2.43 -1.25 -0.12 114.38 119.28 3hb1 h ARG 407 Ca -0.09 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 3hb1 h ARG 407 Cb 1.75 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 3hb1 h ARG 407 CO 0.17 0.53 -0.02 0.93 -1.51 0.00 0.00 179.97 180.07 3hb1 h GLU 408 N 0.82 0.42 -0.88 0.20 3.07 -1.84 0.28 114.58 116.64 3hb1 h GLU 408 Ca 0.31 -0.14 0.01 0.00 -0.50 0.00 0.00 59.36 59.04 3hb1 h GLU 408 Cb 0.12 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 3hb1 h GLU 408 CO -0.15 0.62 0.58 1.15 -1.40 0.00 0.00 179.01 179.81 3hb1 h THR 409 N 0.18 1.22 -0.55 1.13 2.02 -1.45 -1.46 112.91 113.99 3hb1 h THR 409 Ca 0.06 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 3hb1 h THR 409 Cb 0.44 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3hb1 h THR 409 CO 0.02 0.22 0.12 -0.25 0.37 0.00 0.00 175.52 175.99 3hb1 h TRP 410 N 1.19 0.95 -0.39 3.16 7.01 -0.78 0.17 115.95 127.24 3hb1 h TRP 410 Ca 0.33 -0.12 -0.16 0.00 2.11 0.00 0.00 58.89 61.05 3hb1 h TRP 410 Cb -0.12 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.67 3hb1 h TRP 410 CO -0.01 0.83 -0.36 -0.07 -2.79 0.00 0.00 178.44 176.03 3hb1 h LEU 411 N 0.79 1.00 -0.63 0.65 3.38 -0.71 -1.33 115.31 118.46 3hb1 h LEU 411 Ca 0.17 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 3hb1 h LEU 411 Cb 0.37 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3hb1 h LEU 411 CO 0.01 1.25 0.20 1.56 0.09 0.00 0.00 178.44 181.55 3hb1 h GLN 412 N 0.76 0.97 0.26 1.13 4.20 -1.12 -1.97 115.11 119.35 3hb1 h GLN 412 Ca 0.07 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 3hb1 h GLN 412 Cb 0.96 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3hb1 h GLN 412 CO 0.09 0.86 -0.12 1.25 -0.67 0.00 0.00 178.83 180.24 3hb1 h LEU 413 N 0.90 -0.29 -1.63 1.46 5.85 -0.49 -1.48 115.31 119.63 3hb1 h LEU 413 Ca 0.20 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.04 3hb1 h LEU 413 Cb 0.29 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3hb1 h LEU 413 CO -0.01 -0.21 0.42 0.03 -0.34 0.00 0.00 178.44 178.33 3hb1 h ARG 414 N -0.34 0.40 0.02 1.25 2.47 -1.14 0.70 114.38 117.73 3hb1 h ARG 414 Ca -0.04 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3hb1 h ARG 414 Cb 0.26 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3hb1 h ARG 414 CO 0.06 0.27 -0.01 0.00 0.56 0.00 0.00 179.97 180.84 3hb1 h ALA 415 N 1.69 -0.03 -0.75 0.04 0.00 -0.87 0.81 119.26 120.14 3hb1 h ALA 415 Ca 0.29 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hb1 h ALA 415 Cb 0.59 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3hb1 h ALA 415 CO -0.08 -0.36 0.50 0.93 0.00 0.00 0.00 179.25 180.23 3hb1 h GLU 416 N -0.34 0.94 0.19 0.00 5.08 -0.21 -2.37 114.58 117.87 3hb1 h GLU 416 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3hb1 h GLU 416 Cb 0.33 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3hb1 h GLU 416 CO 0.01 0.62 -0.09 1.25 -1.00 0.00 0.00 179.01 179.80 3hb1 h LEU 417 N 0.97 -0.22 -1.43 1.33 5.85 -0.69 -1.43 115.31 119.68 3hb1 h LEU 417 Ca 0.29 -0.20 0.14 0.00 0.84 0.00 0.00 57.88 58.95 3hb1 h LEU 417 Cb -0.04 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 3hb1 h LEU 417 CO -0.07 0.09 0.54 -0.33 -0.34 0.00 0.00 178.44 178.33 3hb1 h GLU 418 N -0.55 0.55 -0.01 1.25 4.39 -0.58 0.51 114.58 120.14 3hb1 h GLU 418 Ca -0.03 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3hb1 h GLU 418 Cb 0.41 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3hb1 h GLU 418 CO 0.04 0.36 -0.01 0.00 -1.16 0.00 0.00 179.01 178.24 3hb1 h ALA 419 N 1.62 0.02 -0.49 3.43 0.00 -1.30 0.28 119.26 122.83 3hb1 h ALA 419 Ca 0.41 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3hb1 h ALA 419 Cb 0.76 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3hb1 h ALA 419 CO -0.16 -0.23 -0.03 1.25 0.00 0.00 0.00 179.25 180.08 3hb1 h LEU 420 N -0.42 0.82 -1.06 0.00 6.46 -0.60 -2.52 115.31 117.99 3hb1 h LEU 420 Ca 0.00 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 3hb1 h LEU 420 Cb 0.49 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 3hb1 h LEU 420 CO 0.00 0.91 0.00 0.35 -0.62 0.00 0.00 178.44 179.08 3hb1 n THR 421 N -4.19 0.35 -3.95 1.05 -2.24 0.11 -4.93 114.28 100.49 3hb1 n THR 421 Ca 0.02 -0.37 -0.25 0.00 -2.27 0.00 0.00 64.05 61.18 3hb1 n THR 421 Cb 0.33 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.32 -0.40 -3.00 3.42 8.00 -0.79 -2.36 116.55 121.74 3hb1 n ASP 422 Ca 0.11 -1.00 -0.20 0.00 0.71 0.00 0.00 54.79 54.42 3hb1 n ASP 422 Cb 0.26 -3.10 0.06 0.00 -0.02 0.00 0.00 41.12 38.33 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 -4.40 -3.06 0.07 0.64 4.77 0.93 -4.94 117.00 111.01 3hb1 n LEU 423 Ca -0.30 -0.41 -0.13 0.00 -0.03 0.00 0.00 56.01 55.14 3hb1 n LEU 423 Cb 0.68 -2.61 -0.07 0.00 -2.33 0.00 0.00 43.42 39.09 3hb1 n LEU 423 CO 0.75 0.49 0.83 -0.25 -1.33 0.00 0.00 177.39 177.88 3hb1 h TRP 424 N -2.08 -0.08 -0.64 -1.77 2.91 -1.71 -2.57 115.95 110.01 3hb1 h TRP 424 Ca -0.47 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 59.56 3hb1 h TRP 424 Cb 1.31 0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.95 3hb1 h TRP 424 CO 0.42 -0.01 0.42 1.25 -1.03 0.00 0.00 178.44 179.49 3hb1 h LEU 425 N -0.12 0.73 -1.22 0.65 5.85 -1.89 -1.26 115.31 118.05 3hb1 h LEU 425 Ca -0.01 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3hb1 h LEU 425 Cb 0.10 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3hb1 h LEU 425 CO 0.01 0.52 0.54 0.74 -0.34 0.00 0.00 178.44 179.92 3hb1 h THR 426 N 0.86 1.14 -0.11 1.05 2.02 -1.86 0.09 112.91 116.10 3hb1 h THR 426 Ca 0.24 -0.35 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 3hb1 h THR 426 Cb -0.08 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.36 3hb1 h THR 426 CO -0.05 0.19 -0.40 0.45 0.37 0.00 0.00 175.52 176.07 3hb1 h HIS 427 N 1.03 0.62 -0.53 3.16 3.86 -0.89 -2.98 115.15 119.41 3hb1 h HIS 427 Ca 0.32 -0.26 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 3hb1 h HIS 427 Cb 0.01 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3hb1 h HIS 427 CO -0.00 1.01 0.06 0.66 0.86 0.00 0.00 177.93 180.52 3hb1 h SER 428 N 0.05 0.87 -0.78 2.45 4.64 -1.08 -3.00 113.55 116.69 3hb1 h SER 428 Ca -0.02 -0.28 0.03 0.00 -0.47 0.00 0.00 61.79 61.05 3hb1 h SER 428 Cb 1.03 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.85 3hb1 h SER 428 CO 0.08 0.93 0.52 -0.07 -0.87 0.00 0.00 176.83 177.42 3hb1 h LEU 429 N 0.78 0.85 -1.65 5.97 3.38 -1.04 -0.98 115.31 122.62 3hb1 h LEU 429 Ca 0.16 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3hb1 h LEU 429 Cb 0.44 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3hb1 h LEU 429 CO 0.02 0.60 0.30 0.11 0.09 0.00 0.00 178.44 179.55 3hb1 h LYS 430 N 0.99 0.43 0.09 1.13 1.57 -1.38 0.19 116.57 119.59 3hb1 h LYS 430 Ca 0.30 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.88 3hb1 h LYS 430 Cb -0.01 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 32.22 3hb1 h LYS 430 CO -0.08 0.28 -0.75 0.00 -0.57 0.00 0.00 179.45 178.33 3hb1 h ALA 431 N 1.75 -0.03 -0.56 3.86 0.00 -1.33 -2.87 119.26 120.07 3hb1 h ALA 431 Ca 0.19 -0.65 0.02 0.00 0.00 0.00 0.00 54.91 54.46 3hb1 h ALA 431 Cb 0.20 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3hb1 h ALA 431 CO -0.05 0.38 0.36 -0.07 0.00 0.00 0.00 179.25 179.87 3hb1 h LEU 432 N -0.25 0.60 -0.89 0.00 3.38 -0.39 -1.89 115.31 115.88 3hb1 h LEU 432 Ca -0.12 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3hb1 h LEU 432 Cb 1.53 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 3hb1 h LEU 432 CO 0.14 0.43 -0.55 0.78 0.09 0.00 0.00 178.44 179.33 3hb1 h ASN 433 N 0.72 0.00 -0.12 -0.43 2.35 -0.77 -1.99 115.58 115.33 3hb1 h ASN 433 Ca 0.22 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.81 3hb1 h ASN 433 Cb -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3hb1 h ASN 433 CO -0.07 0.55 -0.48 0.25 -1.65 0.00 0.00 177.43 176.03 3hb1 h LEU 434 N 0.00 0.75 -0.70 1.61 5.85 -1.24 -0.90 115.31 120.68 3hb1 h LEU 434 Ca -0.01 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.23 3hb1 h LEU 434 Cb 0.99 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3hb1 h LEU 434 CO 0.07 1.11 -0.21 0.40 -0.34 0.00 0.00 178.44 179.47 3hb1 h ILE 435 N 0.55 1.27 0.03 4.05 2.04 -1.20 -1.63 117.51 122.61 3hb1 h ILE 435 Ca 0.03 -1.32 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 3hb1 h ILE 435 Cb 1.04 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 3hb1 h ILE 435 CO 0.10 0.44 -0.02 -1.13 0.00 0.00 0.00 178.15 177.54 3hb1 h ASN 436 N 0.68 -0.04 -0.45 1.72 -0.73 -1.14 -3.26 115.58 112.36 3hb1 h ASN 436 Ca 0.10 -0.36 -0.03 0.00 1.87 0.00 0.00 56.30 57.88 3hb1 h ASN 436 Cb 0.72 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.30 3hb1 h ASN 436 CO 0.06 0.34 0.17 0.77 -0.37 0.00 0.00 177.43 178.40 3hb1 h SER 437 N -0.42 0.62 -2.39 1.15 4.64 -1.16 -3.42 113.55 112.57 3hb1 h SER 437 Ca -0.00 -0.18 -0.56 0.00 -0.47 0.00 0.00 61.79 60.58 3hb1 h SER 437 Cb 0.39 -0.16 0.05 0.00 -0.31 0.00 0.00 62.40 62.38 3hb1 h SER 437 CO 0.01 0.63 0.90 0.54 -0.87 0.00 0.00 176.83 178.04 3hb1 n ARG 438 N -4.59 2.39 -0.10 4.77 1.74 -0.62 -4.89 116.66 115.36 3hb1 n ARG 438 Ca 0.01 0.86 -0.06 0.00 -0.77 0.00 0.00 57.85 57.89 3hb1 n ARG 438 Cb 0.16 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 28.93 3hb1 n ARG 438 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hb1 h PRO 439 N 6.57 -0.01 -1.12 5.56 0.13 -1.85 -3.09 132.00 138.19 3hb1 h PRO 439 Ca -0.45 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.17 3hb1 h PRO 439 Cb 1.24 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.12 3hb1 h PRO 439 CO 0.92 -0.01 0.67 0.09 -0.23 0.00 0.00 178.00 179.44 3hb1 n ASN 440 N -5.28 6.10 -3.96 1.44 3.02 -1.26 -4.90 115.26 110.41 3hb1 n ASN 440 Ca 0.01 -3.47 -0.17 0.00 -0.03 0.00 0.00 54.58 50.91 3hb1 n ASN 440 Cb 0.20 -0.93 -0.15 0.00 -0.61 0.00 0.00 39.78 38.29 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 0.04 1.38 -0.23 0.00 1.01 -0.62 -4.63 120.40 117.35 3hb1 s VAL 442 Ca -0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 3hb1 s VAL 442 Cb -0.05 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3hb1 s VAL 442 CO -0.00 0.31 0.11 0.20 0.00 0.00 0.00 175.10 175.72 3hb1 s ASN 443 N -0.62 5.74 -0.00 3.32 0.01 -1.26 -0.91 114.94 121.22 3hb1 s ASN 443 Ca 0.06 0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.28 3hb1 s ASN 443 Cb -0.07 -2.02 -0.01 0.00 0.41 0.00 0.00 41.25 39.55 3hb1 s ASN 443 CO -0.00 0.06 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.81 3hb1 s VAL 444 N 1.04 1.26 -0.04 1.60 1.01 0.02 -4.74 120.40 120.55 3hb1 s VAL 444 Ca 0.06 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3hb1 s VAL 444 Cb -0.14 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3hb1 s VAL 444 CO 0.04 0.30 -0.21 -0.22 0.00 0.00 0.00 175.10 175.01 3hb1 s LEU 445 N -0.52 2.33 -0.20 3.92 2.96 0.18 -0.36 118.68 127.00 3hb1 s LEU 445 Ca 0.06 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 3hb1 s LEU 445 Cb -0.06 -1.44 0.06 0.00 0.50 0.00 0.00 46.19 45.25 3hb1 s LEU 445 CO -0.00 0.31 0.06 -0.69 -1.32 0.00 0.00 176.35 174.70 3hb1 s VAL 446 N -0.52 0.31 0.07 1.68 1.01 0.04 -0.88 120.40 122.12 3hb1 s VAL 446 Ca 0.07 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.64 3hb1 s VAL 446 Cb -0.11 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3hb1 s VAL 446 CO 0.01 -0.28 -0.18 0.28 0.00 0.00 0.00 175.10 174.93 3hb1 s THR 447 N 1.95 1.44 -0.33 3.92 -1.32 -0.60 -4.23 115.64 116.48 3hb1 s THR 447 Ca 0.01 -1.32 0.27 0.00 -1.21 0.00 0.00 61.69 59.44 3hb1 s THR 447 Cb -0.17 -1.32 0.32 0.00 -1.51 0.00 0.00 72.50 69.83 3hb1 s THR 447 CO -0.10 -0.04 1.79 0.71 -2.21 0.00 0.00 174.62 174.77 3hb1 h THR 448 N 4.26 0.00 -4.13 5.08 1.35 -1.89 0.77 112.91 118.36 3hb1 h THR 448 Ca -0.43 -0.53 -0.55 0.00 -0.55 0.00 0.00 66.41 64.35 3hb1 h THR 448 Cb 1.18 1.46 0.16 0.00 -1.73 0.00 0.00 68.15 69.22 3hb1 h THR 448 CO 0.41 0.00 0.48 -0.89 -0.25 0.00 0.00 175.52 175.27 3hb1 s THR 449 N -3.37 2.04 0.31 6.82 2.01 -1.26 -3.96 115.64 118.22 3hb1 s THR 449 Ca 0.05 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.78 3hb1 s THR 449 Cb 0.09 -2.88 -0.10 0.00 0.01 0.00 0.00 72.50 69.61 3hb1 s THR 449 CO 0.54 -0.01 1.22 -1.10 -0.69 0.00 0.00 174.62 174.59 3hb1 s GLN 450 N -3.54 4.47 0.26 4.92 -0.21 -1.26 -4.51 119.66 119.78 3hb1 s GLN 450 Ca 0.81 2.05 -0.08 0.00 0.02 0.00 0.00 55.36 58.16 3hb1 s GLN 450 Cb -0.36 -3.12 0.43 0.00 1.00 0.00 0.00 33.01 30.97 3hb1 s GLN 450 CO 0.42 -0.03 1.59 1.25 -2.12 0.00 0.00 175.29 176.40 3hb1 h LEU 451 N 3.58 -0.67 -0.03 2.90 5.85 -1.92 0.22 115.31 125.25 3hb1 h LEU 451 Ca -0.48 0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3hb1 h LEU 451 Cb 1.22 0.49 -0.00 0.00 0.37 0.00 0.00 40.66 42.74 3hb1 h LEU 451 CO 0.66 -0.27 0.01 0.40 -0.34 0.00 0.00 178.44 178.90 3hb1 h ILE 452 N 0.02 1.19 -0.70 4.05 1.08 -1.92 -1.85 117.51 119.36 3hb1 h ILE 452 Ca 0.43 -0.56 -0.04 0.00 -0.39 0.00 0.00 64.86 64.30 3hb1 h ILE 452 Cb 0.72 1.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.96 3hb1 h ILE 452 CO -0.84 0.15 0.28 -0.65 -0.69 0.00 0.00 178.15 176.39 3hb1 h PRO 453 N -0.18 1.04 -0.64 2.37 0.11 -1.79 -2.36 132.00 130.56 3hb1 h PRO 453 Ca 0.01 -0.18 0.09 0.00 0.11 0.00 0.00 66.00 66.03 3hb1 h PRO 453 Cb 0.24 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 31.10 3hb1 h PRO 453 CO 0.00 0.85 0.29 0.00 -0.21 0.00 0.00 178.00 178.93 3hb1 h ALA 454 N 1.28 0.85 -0.12 -0.75 0.00 -0.41 0.12 119.26 120.23 3hb1 h ALA 454 Ca 0.24 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3hb1 h ALA 454 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hb1 h ALA 454 CO -0.02 -0.12 -0.20 -0.07 0.00 0.00 0.00 179.25 178.85 3hb1 h LEU 455 N 0.50 0.19 0.43 0.00 3.38 -0.89 0.11 115.31 119.02 3hb1 h LEU 455 Ca 0.32 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3hb1 h LEU 455 Cb 0.34 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hb1 h LEU 455 CO -0.27 0.40 -0.21 0.00 0.09 0.00 0.00 178.44 178.45 3hb1 h ALA 456 N 1.62 -0.57 0.12 1.53 0.00 -0.36 -0.07 119.26 121.54 3hb1 h ALA 456 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3hb1 h ALA 456 Cb 0.46 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3hb1 h ALA 456 CO 0.03 -0.77 -0.42 0.87 0.00 0.00 0.00 179.25 178.96 3hb1 h LYS 457 N -0.69 -0.63 -0.89 0.00 1.57 -0.54 0.51 116.57 115.90 3hb1 h LYS 457 Ca -0.06 0.04 0.22 0.00 -1.87 0.00 0.00 60.65 58.98 3hb1 h LYS 457 Cb 0.50 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 32.83 3hb1 h LYS 457 CO 0.10 -0.42 0.38 0.28 -0.57 0.00 0.00 179.45 179.22 3hb1 h VAL 458 N -0.66 0.47 0.00 0.50 2.07 -0.75 0.44 116.25 118.33 3hb1 h VAL 458 Ca 0.02 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3hb1 h VAL 458 Cb 0.68 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3hb1 h VAL 458 CO -0.24 0.07 -0.00 -0.07 0.02 0.00 0.00 177.57 177.35 3hb1 h LEU 459 N 0.39 -0.00 -1.73 2.57 3.38 -0.05 0.69 115.31 120.56 3hb1 h LEU 459 Ca 0.56 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3hb1 h LEU 459 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3hb1 h LEU 459 CO -0.53 0.67 -0.17 -0.07 0.09 0.00 0.00 178.44 178.43 3hb1 h LEU 460 N -0.68 0.00 -2.18 1.67 3.38 0.80 -1.75 115.31 116.55 3hb1 h LEU 460 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hb1 h LEU 460 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3hb1 h LEU 460 CO 0.00 0.17 0.00 -1.22 0.09 0.00 0.00 178.44 177.48 3hb1 n TYR 461 N -4.13 0.92 -2.73 1.13 4.02 0.15 -4.93 117.16 111.58 3hb1 n TYR 461 Ca -0.02 -0.40 -0.15 0.00 -0.01 0.00 0.00 57.90 57.31 3hb1 n TYR 461 Cb 0.24 -0.11 0.02 0.00 -0.02 0.00 0.00 39.34 39.48 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 1.10 -0.16 0.84 2.72 0.00 -0.66 -4.92 105.19 104.11 3hb1 n GLY 462 Ca 0.18 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.80 2.74 -0.07 0.99 4.77 0.24 -4.36 117.00 118.51 3hb1 n LEU 463 Ca -0.09 -0.98 -0.01 0.00 -0.03 0.00 0.00 56.01 54.90 3hb1 n LEU 463 Cb 0.59 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.93 3hb1 n LEU 463 CO 0.32 0.47 0.98 1.23 -1.33 0.00 0.00 177.39 179.05 3hb1 h GLY 464 N 4.31 0.73 2.00 -0.72 0.00 -1.71 -1.55 103.07 106.13 3hb1 h GLY 464 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 3hb1 h GLY 464 CO 0.00 0.38 -0.21 0.23 0.00 0.00 0.00 176.54 176.95 3hb1 h SER 465 N 0.66 0.00 0.00 0.19 0.87 -1.76 -3.19 113.55 110.32 3hb1 h SER 465 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3hb1 h SER 465 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3hb1 h SER 465 CO -0.00 0.21 -1.81 1.33 -0.53 0.00 0.00 176.83 176.02 3hb1 n VAL 466 N -4.15 0.00 -3.71 2.23 0.24 -0.94 -4.87 118.33 107.13 3hb1 n VAL 466 Ca -0.02 -0.41 -0.38 0.00 -2.04 0.00 0.00 64.34 61.48 3hb1 n VAL 466 Cb 0.27 0.14 -0.12 0.00 -1.47 0.00 0.00 33.84 32.67 3hb1 n VAL 466 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3hb1 s PHE 467 N -3.34 3.32 0.35 6.34 0.40 -0.63 -4.80 117.98 119.62 3hb1 s PHE 467 Ca -0.06 -1.57 -0.29 0.00 -0.60 0.00 0.00 56.93 54.42 3hb1 s PHE 467 Cb 0.13 -2.60 -0.11 0.00 0.51 0.00 0.00 43.02 40.96 3hb1 s PHE 467 CO 0.83 -0.79 1.40 -1.25 0.70 0.00 0.00 175.22 176.11 3hb1 s PRO 468 N 1.38 4.23 0.57 0.24 0.04 -1.26 -4.78 135.00 135.43 3hb1 s PRO 468 Ca 0.01 2.39 0.32 0.00 0.04 0.00 0.00 61.00 63.76 3hb1 s PRO 468 Cb -0.21 -3.03 1.43 0.00 0.04 0.00 0.00 34.50 32.73 3hb1 s PRO 468 CO 0.02 -0.37 1.76 0.97 0.04 0.00 0.00 177.00 179.42 3hb1 h ILE 469 N 3.05 0.33 -0.39 0.56 6.09 -1.97 -0.17 117.51 125.00 3hb1 h ILE 469 Ca -0.50 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 3hb1 h ILE 469 Cb 1.23 0.42 0.00 0.00 0.47 0.00 0.00 36.82 38.95 3hb1 h ILE 469 CO 0.66 0.00 0.00 -1.84 -3.07 0.00 0.00 178.15 173.90 3hb1 n GLU 470 N -3.85 2.33 -0.24 2.19 0.00 -1.26 -3.83 120.64 115.98 3hb1 n GLU 470 Ca 0.19 -1.59 0.08 0.00 0.00 0.00 0.00 57.16 55.84 3hb1 n GLU 470 Cb 1.07 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 31.19 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 0.62 3.05 -4.49 -1.84 4.13 -0.07 -4.98 115.26 111.68 3hb1 n ASN 471 Ca 0.15 -2.90 -0.34 0.00 1.68 0.00 0.00 54.58 53.17 3hb1 n ASN 471 Cb 0.48 -0.43 -0.12 0.00 -1.54 0.00 0.00 39.78 38.16 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 -2.58 3.71 0.00 2.41 1.01 -1.25 -0.64 121.20 123.87 3hb1 s ILE 472 Ca 0.34 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.60 3hb1 s ILE 472 Cb 0.27 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 3hb1 s ILE 472 CO 0.06 0.52 -0.16 -0.31 0.00 0.00 0.00 174.94 175.05 3hb1 s TYR 473 N 0.16 1.40 -0.25 3.97 1.51 -0.06 -4.65 117.35 119.42 3hb1 s TYR 473 Ca -0.03 -0.29 -0.05 0.00 -1.01 0.00 0.00 57.07 55.69 3hb1 s TYR 473 Cb -0.14 -0.88 -0.00 0.00 -0.11 0.00 0.00 41.96 40.83 3hb1 s TYR 473 CO 0.03 0.00 0.02 0.45 -1.11 0.00 0.00 175.55 174.94 3hb1 s SER 474 N -0.61 4.75 -0.16 2.29 0.15 -0.73 -1.56 113.70 117.85 3hb1 s SER 474 Ca 0.05 -0.50 0.09 0.00 0.70 0.00 0.00 55.95 56.30 3hb1 s SER 474 Cb -0.07 -1.82 0.54 0.00 -1.71 0.00 0.00 66.02 62.97 3hb1 s SER 474 CO 0.00 -0.09 1.33 0.00 1.20 0.00 0.00 173.24 175.68 3hb1 n ALA 475 N 4.84 3.41 0.01 5.45 0.00 0.27 -4.58 120.51 129.89 3hb1 n ALA 475 Ca -0.16 -1.26 -0.15 0.00 0.00 0.00 0.00 53.44 51.87 3hb1 n ALA 475 Cb 0.50 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 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 2.65 0.03 0.00 0.00 1.35 -1.75 -1.81 112.91 113.38 3hb1 h THR 476 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3hb1 h THR 476 Cb 1.47 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3hb1 h THR 476 CO 0.32 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.88 3hb1 n LYS 477 N -5.44 0.00 -0.35 4.72 5.02 -1.26 -4.46 118.16 116.38 3hb1 n LYS 477 Ca -0.06 0.16 0.37 0.00 -2.02 0.00 0.00 58.31 56.76 3hb1 n LYS 477 Cb 0.38 -0.61 0.76 0.00 -0.02 0.00 0.00 35.03 35.54 3hb1 n LYS 477 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3hb1 h THR 478 N 0.00 0.37 0.00 -0.18 1.35 -1.86 -3.48 112.91 109.11 3hb1 h THR 478 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3hb1 h THR 478 Cb 0.00 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 66.79 3hb1 h THR 478 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3hb1 n GLY 479 N -1.78 -0.59 0.09 5.82 0.00 -0.68 -4.36 105.19 103.69 3hb1 n GLY 479 Ca 0.27 -1.70 -0.06 0.00 0.00 0.00 0.00 46.02 44.53 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 0.05 -0.31 1.61 1.57 -1.91 -3.11 116.57 114.47 3hb1 h LYS 480 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3hb1 h LYS 480 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3hb1 h LYS 480 CO 0.00 0.91 0.20 1.49 -0.57 0.00 0.00 179.45 181.48 3hb1 h GLU 481 N 0.02 0.41 0.00 3.15 4.81 -1.88 0.99 114.58 122.08 3hb1 h GLU 481 Ca -0.02 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 3hb1 h GLU 481 Cb 1.57 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 3hb1 h GLU 481 CO 0.12 0.27 -0.43 0.66 -0.73 0.00 0.00 179.01 178.91 3hb1 h SER 482 N 0.42 0.00 -0.10 1.04 4.64 -1.76 -2.49 113.55 115.30 3hb1 h SER 482 Ca 0.11 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 3hb1 h SER 482 Cb -0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3hb1 h SER 482 CO -0.02 0.43 -0.44 0.00 -0.87 0.00 0.00 176.83 175.92 3hb1 h PHE 484 N 0.52 0.97 -0.22 0.00 0.05 -0.48 -2.44 116.94 115.34 3hb1 h PHE 484 Ca 0.04 -0.15 -0.08 0.00 3.82 0.00 0.00 57.97 61.60 3hb1 h PHE 484 Cb 0.98 -0.26 -0.00 0.00 2.00 0.00 0.00 35.95 38.66 3hb1 h PHE 484 CO 0.05 0.88 -0.17 1.49 -0.18 0.00 0.00 178.31 180.37 3hb1 h GLU 485 N 0.84 0.51 -0.07 1.51 4.81 -1.31 -2.11 114.58 118.76 3hb1 h GLU 485 Ca 0.16 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3hb1 h GLU 485 Cb 0.50 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 3hb1 h GLU 485 CO 0.02 0.82 0.06 -0.09 -0.73 0.00 0.00 179.01 179.09 3hb1 h ARG 486 N 0.20 0.00 0.24 1.92 2.43 -1.12 -0.37 114.38 117.69 3hb1 h ARG 486 Ca 0.04 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.89 3hb1 h ARG 486 Cb 0.70 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.28 3hb1 h ARG 486 CO 0.04 0.00 -1.45 0.82 -1.51 0.00 0.00 179.97 177.88 3hb1 h ILE 487 N 0.00 1.28 -0.59 1.20 2.04 -1.25 -2.17 117.51 118.02 3hb1 h ILE 487 Ca 0.03 -2.67 -0.07 0.00 1.00 0.00 0.00 64.86 63.15 3hb1 h ILE 487 Cb 0.15 3.04 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 3hb1 h ILE 487 CO -0.00 0.80 0.08 0.24 0.00 0.00 0.00 178.15 179.28 3hb1 h MET 488 N 0.10 0.99 -0.58 2.37 2.86 -0.66 0.41 114.93 120.42 3hb1 h MET 488 Ca -0.26 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.05 3hb1 h MET 488 Cb 2.12 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 33.65 3hb1 h MET 488 CO 0.26 0.94 0.12 1.96 1.06 0.00 0.00 176.91 181.25 3hb1 h GLN 489 N 0.89 0.91 -0.24 1.72 4.20 -1.19 0.56 115.11 121.97 3hb1 h GLN 489 Ca 0.18 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3hb1 h GLN 489 Cb 0.44 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3hb1 h GLN 489 CO 0.01 0.83 0.06 -0.09 -0.67 0.00 0.00 178.83 178.97 3hb1 h ARG 490 N 0.87 0.38 -0.01 1.46 1.12 -0.58 -3.27 114.38 114.35 3hb1 h ARG 490 Ca 0.18 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 3hb1 h ARG 490 Cb 0.34 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.25 3hb1 h ARG 490 CO 0.00 0.48 -0.51 1.19 -3.11 0.00 0.00 179.97 178.02 3hb1 n PHE 491 N -4.74 0.00 0.00 2.20 3.01 0.13 -5.07 117.46 112.99 3hb1 n PHE 491 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3hb1 n PHE 491 Cb 0.17 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 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 1.42 1.18 0.01 1.37 0.00 0.19 -4.55 105.19 104.81 3hb1 n GLY 492 Ca 0.09 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 44.18 3hb1 n GLY 492 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hb1 n ARG 493 N 1.38 0.36 0.00 1.61 1.85 -1.26 -4.08 116.66 116.52 3hb1 n ARG 493 Ca 0.00 -0.11 0.14 0.00 -1.00 0.00 0.00 57.85 56.88 3hb1 n ARG 493 Cb 0.00 -1.51 0.55 0.00 -1.05 0.00 0.00 32.46 30.45 3hb1 n ARG 493 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3hb1 n LYS 494 N -1.92 0.30 -3.03 2.89 4.81 -1.26 -4.84 118.16 115.10 3hb1 n LYS 494 Ca -0.00 -0.09 -0.33 0.00 -0.87 0.00 0.00 58.31 57.02 3hb1 n LYS 494 Cb 0.46 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.95 3hb1 n LYS 494 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hb1 s ALA 495 N -2.76 3.24 -0.40 3.14 0.00 -1.26 -4.64 121.76 119.07 3hb1 s ALA 495 Ca 0.20 0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 3hb1 s ALA 495 Cb 0.19 -2.88 0.04 0.00 0.00 0.00 0.00 23.12 20.47 3hb1 s ALA 495 CO 0.54 0.26 0.27 0.14 0.00 0.00 0.00 175.76 176.97 3hb1 s VAL 496 N -2.06 4.86 0.08 0.00 -7.23 0.04 -4.98 120.40 111.11 3hb1 s VAL 496 Ca 0.56 -0.87 -0.16 0.00 -1.81 0.00 0.00 61.98 59.71 3hb1 s VAL 496 Cb -0.10 -3.76 -0.06 0.00 0.56 0.00 0.00 36.38 33.02 3hb1 s VAL 496 CO 0.17 -0.33 0.51 -0.31 -0.31 0.00 0.00 175.10 174.83 3hb1 s TYR 497 N 1.60 3.71 -0.09 2.82 1.51 -1.26 -1.56 117.35 124.08 3hb1 s TYR 497 Ca 0.03 1.10 -0.01 0.00 -1.01 0.00 0.00 57.07 57.19 3hb1 s TYR 497 Cb -0.20 -2.38 0.03 0.00 -0.11 0.00 0.00 41.96 39.30 3hb1 s TYR 497 CO 0.07 0.54 -0.03 0.08 -1.11 0.00 0.00 175.55 175.11 3hb1 s VAL 498 N -1.24 0.60 -0.21 0.71 1.01 -0.49 -3.95 120.40 116.83 3hb1 s VAL 498 Ca 0.31 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.13 3hb1 s VAL 498 Cb -0.17 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3hb1 s VAL 498 CO 0.18 0.30 0.32 -0.69 0.00 0.00 0.00 175.10 175.21 3hb1 s VAL 499 N 1.87 5.25 -0.14 2.92 1.01 -0.22 -0.80 120.40 130.29 3hb1 s VAL 499 Ca 0.05 0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 3hb1 s VAL 499 Cb -0.12 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3hb1 s VAL 499 CO -0.06 0.29 -0.08 -0.63 0.00 0.00 0.00 175.10 174.61 3hb1 s ILE 500 N 1.16 3.46 -0.15 2.22 1.09 0.07 0.27 121.20 129.33 3hb1 s ILE 500 Ca 0.16 -0.51 -0.34 0.00 -1.10 0.00 0.00 60.65 58.85 3hb1 s ILE 500 Cb -0.14 -2.49 0.13 0.00 -1.06 0.00 0.00 42.46 38.90 3hb1 s ILE 500 CO 0.07 0.51 1.24 -0.83 -0.10 0.00 0.00 174.94 175.82 3hb1 s GLY 501 N 0.36 -0.32 -0.10 6.18 0.00 -0.92 -1.99 107.32 110.53 3hb1 s GLY 501 Ca -0.08 1.36 0.20 0.00 0.00 0.00 0.00 44.72 46.21 3hb1 s GLY 501 CO 0.04 0.42 0.32 2.09 0.00 0.00 0.00 173.10 175.97 3hb1 n ASP 502 N -0.20 0.02 -4.97 1.64 5.75 -1.26 -0.78 116.55 116.76 3hb1 n ASP 502 Ca -0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.55 3hb1 n ASP 502 Cb 0.59 1.61 0.03 0.00 -1.03 0.00 0.00 41.12 42.32 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 -4.89 1.78 0.11 6.12 0.00 -1.26 -4.87 107.32 104.31 3hb1 s GLY 503 Ca -0.09 -1.26 -0.07 0.00 0.00 0.00 0.00 44.72 43.31 3hb1 s GLY 503 CO 0.87 -0.99 1.24 -0.39 0.00 0.00 0.00 173.10 173.84 3hb1 h VAL 504 N 0.10 1.39 -0.75 1.40 -1.51 -1.99 -3.18 116.25 111.70 3hb1 h VAL 504 Ca -0.43 -2.52 0.04 0.00 -1.23 0.00 0.00 66.70 62.57 3hb1 h VAL 504 Cb 1.29 2.52 -0.05 0.00 -2.13 0.00 0.00 31.29 32.92 3hb1 h VAL 504 CO 0.53 0.75 0.46 -0.08 -1.23 0.00 0.00 177.57 178.01 3hb1 h GLU 505 N 0.23 0.86 -0.42 5.19 4.81 -1.99 0.79 114.58 124.04 3hb1 h GLU 505 Ca -0.11 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 3hb1 h GLU 505 Cb 1.69 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.86 3hb1 h GLU 505 CO 0.18 0.57 0.06 0.93 -0.73 0.00 0.00 179.01 180.02 3hb1 h GLU 506 N 0.88 0.71 -0.11 1.92 5.08 -1.99 -2.50 114.58 118.58 3hb1 h GLU 506 Ca 0.31 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3hb1 h GLU 506 Cb 0.08 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3hb1 h GLU 506 CO -0.13 0.75 -0.01 1.49 -1.00 0.00 0.00 179.01 180.10 3hb1 h GLU 507 N 0.56 0.19 -0.57 2.33 4.81 -1.39 -2.57 114.58 117.94 3hb1 h GLU 507 Ca 0.13 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 3hb1 h GLU 507 Cb 0.39 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 3hb1 h GLU 507 CO 0.01 0.47 0.25 0.37 -0.73 0.00 0.00 179.01 179.37 3hb1 h GLN 508 N -0.10 0.45 -0.38 1.92 5.75 -0.87 -1.48 115.11 120.39 3hb1 h GLN 508 Ca 0.03 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3hb1 h GLN 508 Cb 0.38 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 3hb1 h GLN 508 CO 0.01 0.30 0.22 0.78 -2.65 0.00 0.00 178.83 177.49 3hb1 h GLY 509 N 0.46 0.55 2.00 2.39 0.00 -1.39 -1.02 103.07 106.06 3hb1 h GLY 509 Ca 0.27 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 3hb1 h GLY 509 CO -0.23 0.21 -0.32 0.00 0.00 0.00 0.00 176.54 176.20 3hb1 h ALA 510 N 1.72 1.29 0.39 3.60 0.00 -0.86 -3.04 119.26 122.37 3hb1 h ALA 510 Ca 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3hb1 h ALA 510 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hb1 h ALA 510 CO -0.03 0.40 -0.19 0.87 0.00 0.00 0.00 179.25 180.31 3hb1 h LYS 511 N 0.00 -0.51 -0.01 0.00 6.56 -0.84 0.78 116.57 122.55 3hb1 h LYS 511 Ca -0.00 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 3hb1 h LYS 511 Cb 0.64 0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 32.42 3hb1 h LYS 511 CO 0.04 -0.22 0.40 0.87 -2.06 0.00 0.00 179.45 178.48 3hb1 h LYS 512 N -1.02 0.00 -0.13 3.15 6.56 -1.47 0.37 116.57 124.03 3hb1 h LYS 512 Ca -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 3hb1 h LYS 512 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 3hb1 h LYS 512 CO 0.09 0.00 0.00 0.72 -2.06 0.00 0.00 179.45 178.20 3hb1 n HIS 513 N -2.86 0.18 -4.09 -1.35 8.25 -1.14 -5.00 115.22 109.20 3hb1 n HIS 513 Ca -0.02 -0.49 -0.31 0.00 -0.26 0.00 0.00 57.72 56.65 3hb1 n HIS 513 Cb 0.44 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.09 -0.69 -4.37 0.41 3.02 0.13 -4.94 115.26 108.72 3hb1 n ASN 514 Ca 0.05 -1.15 -0.36 0.00 -0.03 0.00 0.00 54.58 53.09 3hb1 n ASN 514 Cb 0.31 -2.33 -0.13 0.00 -0.61 0.00 0.00 39.78 37.02 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 -6.95 3.51 0.21 3.52 -1.94 0.24 -5.01 119.30 112.89 3hb1 s MET 515 Ca 0.10 -0.55 -0.30 0.00 -1.71 0.00 0.00 55.69 53.22 3hb1 s MET 515 Cb -0.05 -3.16 -0.16 0.00 2.01 0.00 0.00 34.83 33.48 3hb1 s MET 515 CO 0.94 -0.19 0.93 -0.35 -0.01 0.00 0.00 175.02 176.34 3hb1 n PRO 516 N 4.85 0.85 -4.96 2.03 -0.04 -1.25 -4.60 135.00 131.87 3hb1 n PRO 516 Ca -0.17 0.30 -0.32 0.00 -0.04 0.00 0.00 63.50 63.26 3hb1 n PRO 516 Cb 0.51 -1.62 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 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 -0.70 2.69 -0.33 0.54 5.36 -1.26 -1.05 117.98 123.22 3hb1 s PHE 517 Ca 0.67 -0.69 -0.01 0.00 -0.96 0.00 0.00 56.93 55.93 3hb1 s PHE 517 Cb -0.84 -1.75 0.07 0.00 -0.34 0.00 0.00 43.02 40.15 3hb1 s PHE 517 CO 0.56 -0.21 0.06 -0.46 -1.46 0.00 0.00 175.22 173.71 3hb1 s TRP 518 N 0.15 3.41 0.39 10.12 -0.11 0.14 -4.95 118.94 128.09 3hb1 s TRP 518 Ca -0.09 -2.16 -0.23 0.00 1.22 0.00 0.00 56.10 54.83 3hb1 s TRP 518 Cb -0.15 -2.50 -0.10 0.00 -1.50 0.00 0.00 33.47 29.22 3hb1 s TRP 518 CO 0.06 -0.87 0.99 0.50 -4.62 0.00 0.00 176.95 173.00 3hb1 s ARG 519 N 1.18 4.29 -0.21 5.86 3.52 -1.26 -2.18 118.95 130.15 3hb1 s ARG 519 Ca 0.00 1.33 0.01 0.00 -0.13 0.00 0.00 55.73 56.94 3hb1 s ARG 519 Cb -0.21 -2.48 0.05 0.00 -1.56 0.00 0.00 34.95 30.75 3hb1 s ARG 519 CO -0.03 0.00 -0.11 0.42 -0.81 0.00 0.00 175.30 174.77 3hb1 s ILE 520 N -1.83 1.79 -0.00 4.11 -1.09 0.04 -4.86 121.20 119.37 3hb1 s ILE 520 Ca 0.57 -1.15 0.01 0.00 -2.23 0.00 0.00 60.65 57.85 3hb1 s ILE 520 Cb -0.17 -1.86 -0.01 0.00 -1.58 0.00 0.00 42.46 38.84 3hb1 s ILE 520 CO 0.21 0.15 0.02 -1.20 -1.23 0.00 0.00 174.94 172.89 3hb1 n SER 521 N 4.62 4.42 -3.31 3.58 7.64 -1.26 -4.02 113.62 125.29 3hb1 n SER 521 Ca -0.15 -0.04 -0.09 0.00 1.01 0.00 0.00 58.87 59.59 3hb1 n SER 521 Cb 0.46 1.03 -0.00 0.00 -1.01 0.00 0.00 64.21 64.69 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 2.04 0.81 -0.93 0.00 -0.00 -1.98 -1.77 115.15 113.33 3hb1 h HIS 523 Ca -0.28 0.03 0.23 0.00 -0.00 0.00 0.00 60.37 60.35 3hb1 h HIS 523 Cb 1.25 -0.25 -0.06 0.00 -0.00 0.00 0.00 27.41 28.34 3hb1 h HIS 523 CO 1.06 0.39 0.62 0.00 -0.00 0.00 0.00 177.93 180.01 3hb1 h ALA 524 N 1.38 2.38 -0.24 2.45 0.00 -1.99 0.25 119.26 123.50 3hb1 h ALA 524 Ca 0.34 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 3hb1 h ALA 524 Cb 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hb1 h ALA 524 CO -0.18 -0.68 -0.43 -0.44 0.00 0.00 0.00 179.25 177.51 3hb1 h ASP 525 N 0.30 0.63 0.38 0.00 3.32 -1.68 -0.76 116.42 118.60 3hb1 h ASP 525 Ca 0.48 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 3hb1 h ASP 525 Cb 1.38 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3hb1 h ASP 525 CO -0.15 0.98 -0.46 -0.07 -1.72 0.00 0.00 179.24 177.82 3hb1 h LEU 526 N 0.48 0.11 -0.16 1.55 3.38 -1.00 -2.29 115.31 117.37 3hb1 h LEU 526 Ca 0.03 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3hb1 h LEU 526 Cb 0.95 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3hb1 h LEU 526 CO 0.09 0.55 -0.31 -0.08 0.09 0.00 0.00 178.44 178.78 3hb1 h GLU 527 N 0.08 0.50 -0.82 1.13 4.57 -0.83 -1.85 114.58 117.36 3hb1 h GLU 527 Ca 0.00 -0.32 0.12 0.00 -1.18 0.00 0.00 59.36 57.99 3hb1 h GLU 527 Cb 0.84 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.39 3hb1 h GLU 527 CO 0.06 0.92 0.43 0.00 -1.18 0.00 0.00 179.01 179.24 3hb1 h ALA 528 N 0.57 1.19 -0.31 2.92 0.00 -0.99 0.67 119.26 123.32 3hb1 h ALA 528 Ca 0.01 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3hb1 h ALA 528 Cb 0.90 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3hb1 h ALA 528 CO 0.07 -0.03 0.03 1.25 0.00 0.00 0.00 179.25 180.57 3hb1 h LEU 529 N 0.67 0.52 -0.95 0.00 5.85 -1.30 -1.93 115.31 118.16 3hb1 h LEU 529 Ca 0.42 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3hb1 h LEU 529 Cb 0.52 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3hb1 h LEU 529 CO -0.31 0.67 0.59 -0.09 -0.34 0.00 0.00 178.44 178.95 3hb1 h ARG 530 N 0.35 1.28 -0.22 1.25 2.43 -0.46 -0.92 114.38 118.08 3hb1 h ARG 530 Ca 0.09 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hb1 h ARG 530 Cb 0.39 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3hb1 h ARG 530 CO 0.01 0.88 0.14 1.25 -1.51 0.00 0.00 179.97 180.75 3hb1 h HIS 531 N 1.30 0.27 -0.36 2.20 2.76 -0.68 -1.48 115.15 119.16 3hb1 h HIS 531 Ca 0.34 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.57 3hb1 h HIS 531 Cb -0.08 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 28.75 3hb1 h HIS 531 CO 0.00 0.17 0.11 0.00 -1.30 0.00 0.00 177.93 176.91 3hb1 h ALA 532 N 1.09 0.41 -0.54 5.26 0.00 -0.92 -2.02 119.26 122.53 3hb1 h ALA 532 Ca 0.08 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3hb1 h ALA 532 Cb -0.03 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3hb1 h ALA 532 CO -0.02 -0.29 0.36 -0.07 0.00 0.00 0.00 179.25 179.22 3hb1 h LEU 533 N 0.24 0.50 -0.31 0.00 3.38 -0.80 -2.68 115.31 115.65 3hb1 h LEU 533 Ca 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hb1 h LEU 533 Cb 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hb1 h LEU 533 CO -0.19 0.34 0.00 -0.08 0.09 0.00 0.00 178.44 178.60 3hb1 h GLU 534 N 0.58 0.00 0.00 1.13 4.81 -0.54 -3.33 114.58 117.22 3hb1 h GLU 534 Ca 0.22 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3hb1 h GLU 534 Cb 0.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3hb1 h GLU 534 CO -0.06 0.00 -1.05 1.28 -0.73 0.00 0.00 179.01 178.45 3hb1 n LEU 535 N -2.87 0.83 -4.85 1.64 4.77 -1.01 -4.95 117.00 110.56 3hb1 n LEU 535 Ca 0.04 0.32 -0.36 0.00 -0.03 0.00 0.00 56.01 55.98 3hb1 n LEU 535 Cb 0.45 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3hb1 n LEU 535 CO 0.31 -0.17 -0.19 -0.70 -1.33 0.00 0.00 177.39 175.31 3hb1 s GLU 536 N -3.34 3.35 -0.18 3.23 2.12 -1.24 -5.09 118.70 117.55 3hb1 s GLU 536 Ca -0.01 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.10 3hb1 s GLU 536 Cb 0.10 -3.10 0.04 0.00 0.26 0.00 0.00 34.13 31.43 3hb1 s GLU 536 CO 0.79 0.74 -0.09 0.71 -0.54 0.00 0.00 175.26 176.88 3hb1 s TYR 537 N -1.07 2.16 -2.47 5.30 1.51 -1.26 -5.04 117.35 116.48 3hb1 s TYR 537 Ca 0.17 -1.39 0.20 0.00 -1.01 0.00 0.00 57.07 55.05 3hb1 s TYR 537 Cb -0.12 -1.53 0.16 0.00 -0.11 0.00 0.00 41.96 40.36 3hb1 s TYR 537 CO 0.07 -0.69 1.13 1.28 -1.11 0.00 0.00 175.55 176.22