NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 235 R 4.2928 8.3545 119.0728 56.0961 31.1639 174.6399 236 K 4.3665 8.3933 115.2186 53.9856 33.2275 170.0462 237 R 4.4653 8.7050 122.9345 54.9546 32.5268 175.2693 238 R 4.5384 8.3423 124.0378 54.1880 31.0905 172.5780 239 N 4.4465 8.5577 120.8346 52.2648 39.5134 173.9113 240 F 5.2868 8.0188 117.1569 55.9916 41.4304 176.3153 241 N 4.6336 8.6977 121.9747 54.1116 40.2773 177.2128 242 K 4.1130 8.5597 126.7818 60.0059 31.8195 180.3633 243 Q 4.1608 8.0741 119.7401 58.9369 29.0133 177.9620 244 A 3.8561 7.9132 121.6023 55.4547 18.4666 179.6539 245 T 3.6637 7.9095 108.0799 64.4763 68.8035 176.4601 246 E 4.0227 8.2500 122.5233 59.3718 29.7171 178.8885 247 I 3.7577 7.8615 119.8919 64.2578 37.1203 178.5023 248 L 3.5133 7.6470 119.8629 57.5457 41.1859 179.2939 249 N 4.4959 7.9963 116.5879 56.3573 38.5594 176.8274 250 E 4.2043 7.9486 120.6560 59.7966 29.4363 178.4141 251 Y 4.0516 7.9208 118.2502 60.4886 39.2899 177.1404 252 F 4.5547 8.8695 122.0862 61.8836 39.3849 176.7205 253 Y 4.0597 8.4581 114.3054 60.0351 37.8405 177.3611 254 S 4.5600 7.8567 114.2256 59.3168 63.4619 173.9275 255 H 4.8040 7.7524 118.9318 55.0112 30.0812 175.1115 256 L 3.5551 8.1581 124.2819 58.0045 41.7571 178.4303 257 S 4.2491 7.8826 111.5872 60.7360 63.8059 174.1019 258 N 4.9751 8.0687 117.2087 52.5553 40.7131 173.8530 259 P 4.7512 0.0000 0.0000 63.3796 30.4672 178.7688 260 Y 4.5175 7.4944 115.3088 55.3721 38.5279 173.5141 261 P 4.2530 0.0000 0.0000 62.4526 32.1241 178.0677 262 S 4.4866 8.4977 118.7343 58.3425 65.3606 175.6217 263 E 3.9920 8.7837 123.0854 61.9574 29.2540 178.4544 264 E 4.1119 8.0691 118.3482 60.9265 29.8700 180.8299 265 A 4.1534 7.7499 121.7726 54.8281 18.3257 179.7198 266 K 3.6153 8.1275 117.2003 59.8380 32.1919 179.3846 267 E 3.8868 8.0674 118.5762 59.2583 29.3862 179.1308 268 E 3.8977 8.1115 119.4097 59.2851 29.6699 178.9082 269 L 3.9089 8.1358 119.1384 57.4963 41.5167 179.3880 270 A 3.8270 8.0669 121.0917 55.0543 18.1373 179.6135 271 K 3.8197 7.8288 116.8394 59.5755 32.2986 178.8525 272 K 4.1126 7.7506 117.7844 59.1858 32.1184 178.5985 273 C 4.2599 8.1493 115.9064 59.6994 28.4683 173.8270 274 G 3.7022 8.6062 108.4303 46.1881 0.0000 172.6903 275 I 4.5070 7.1636 111.0840 58.0061 41.2122 174.6439 276 T 4.3006 8.2629 111.4119 60.7767 71.1124 175.8946 277 V 3.5691 8.1125 120.2404 66.0817 31.4160 178.0848 278 S 4.1495 8.0155 114.4989 61.8830 62.7848 176.6116 279 Q 4.1552 8.1266 120.5523 58.7533 28.3863 179.1523 280 V 3.7026 7.7133 119.4267 66.1918 31.6250 178.2603 281 S 4.2739 8.6578 115.3265 61.8336 62.6151 176.5501 282 N 4.4312 8.7183 119.5383 55.8299 38.2699 177.3436 283 W 3.9565 8.4650 129.9368 60.5818 30.8052 178.1631 284 F 3.9622 8.8448 117.9525 60.1820 38.3325 177.9852 285 G 3.5904 8.3672 105.4720 48.0040 0.0000 175.6083 286 N 4.2240 8.3655 119.9031 55.4139 38.4091 177.4387 287 K 2.9890 7.6188 121.2506 59.1919 31.9762 178.7228 288 R 3.9274 7.7762 118.4456 59.5081 29.9206 178.9746 289 I 3.6702 7.4098 118.6077 64.7401 36.9643 178.9091 290 R 3.9260 7.6571 117.2844 59.0651 30.0902 178.2557 291 Y 3.5635 7.8418 119.9539 60.3611 38.6752 178.2365 292 K 3.9680 8.2158 118.7575 59.5050 32.6631 178.6386 293 K 4.2090 7.6383 119.0348 58.2351 33.6166 177.1764 294 N 4.9102 8.1393 115.9390 52.2574 40.8951 174.1127 295 I 3.0896 7.8770 125.5078 64.3049 38.0544 178.6870 296 G 3.8253 8.3490 108.3962 48.6683 0.0000 175.2729 297 K 3.8352 8.1319 119.8431 58.2896 32.4132 177.1950 298 F 4.8763 8.6588 118.5266 57.9299 39.9462 177.8302 299 Q 4.1705 8.3031 125.1203 60.4131 27.7170 182.4724 300 E 4.1542 8.2655 121.2149 59.1702 29.7005 178.5141 301 E 3.9639 8.2007 118.4831 59.2664 29.7531 178.4126 302 A 3.1398 8.5058 123.6827 55.5612 18.1700 180.0250 303 N 4.3583 8.4958 117.5343 57.4928 37.6976 179.9562 304 I 3.9512 7.2089 120.7144 64.2760 37.2923 177.3161 305 Y 4.4692 7.4117 113.5400 58.0255 37.9199 176.6544 306 A 3.8816 7.5284 122.2994 56.0350 18.9810 178.1923 307 A 4.1844 7.7915 121.6396 52.3064 18.4290 177.3647 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 235 R 8.35 4.29 0.00 1.85 1.84 0.00 3.22 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 236 K 8.39 4.37 0.00 1.84 1.61 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.06 7.81 237 R 8.71 4.47 0.00 1.69 1.79 0.00 3.11 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 238 R 8.34 4.54 0.00 1.85 1.69 0.00 3.32 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 239 N 8.56 4.45 0.00 2.70 2.80 0.00 0.00 7.03 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 F 8.02 5.29 0.00 3.03 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 N 8.70 4.63 0.00 2.82 2.77 0.00 0.00 6.95 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 K 8.56 4.11 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.06 7.81 243 Q 8.07 4.16 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 244 A 7.91 3.86 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 T 7.91 3.66 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 246 E 8.25 4.02 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 247 I 7.86 3.76 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.88 0.00 0.00 248 L 7.65 3.51 0.00 0.27 0.13 -0.27 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 249 N 8.00 4.50 0.00 2.06 2.08 0.00 0.00 6.69 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 250 E 7.95 4.20 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 251 Y 7.92 4.05 0.00 3.14 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 252 F 8.87 4.55 0.00 3.23 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 Y 8.46 4.06 0.00 3.13 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 254 S 7.86 4.56 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 255 H 7.75 4.80 0.00 3.09 3.15 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 256 L 8.16 3.56 0.00 1.51 1.61 -0.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 257 S 7.88 4.25 0.00 4.02 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 N 8.07 4.98 0.00 2.63 2.78 0.00 0.00 7.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 P 0.00 4.75 0.00 2.24 1.72 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.47 0.00 260 Y 7.49 4.52 0.00 2.91 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 261 P 0.00 4.25 0.00 1.68 1.28 0.00 3.35 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 262 S 8.50 4.49 0.00 4.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 263 E 8.78 3.99 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.96 0.00 264 E 8.07 4.11 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 265 A 7.75 4.15 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 266 K 8.13 3.62 0.00 1.87 1.78 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.20 1.43 7.81 267 E 8.07 3.89 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 268 E 8.11 3.90 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 269 L 8.14 3.91 0.00 1.70 1.54 0.23 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 270 A 8.07 3.83 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 271 K 7.83 3.82 0.00 1.73 1.96 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 272 K 7.75 4.11 0.00 1.88 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.62 7.81 273 C 8.15 4.26 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 274 G 8.61 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 I 7.16 4.51 1.73 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.53 0.27 0.00 0.00 276 T 8.26 4.30 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 277 V 8.11 3.57 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.89 0.00 0.00 278 S 8.02 4.15 0.00 3.93 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 279 Q 8.13 4.16 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 280 V 7.71 3.70 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.90 0.00 0.00 281 S 8.66 4.27 0.00 4.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 282 N 8.72 4.43 0.00 2.85 2.92 0.00 0.00 6.65 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 283 W 8.46 3.96 0.00 3.71 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 284 F 8.84 3.96 0.00 3.28 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 285 G 8.37 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 286 N 8.37 4.22 0.00 2.47 2.61 0.00 0.00 6.72 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 287 K 7.62 2.99 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.31 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.30 0.21 7.81 288 R 7.78 3.93 0.00 1.82 1.97 0.00 2.82 0.00 0.00 2.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 289 I 7.41 3.67 1.79 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.31 0.89 0.00 0.00 290 R 7.66 3.93 0.00 1.68 1.99 0.00 3.13 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 291 Y 7.84 3.56 0.00 2.74 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 292 K 8.22 3.97 0.00 1.98 2.04 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.74 1.50 7.81 293 K 7.64 4.21 0.00 1.95 1.92 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.58 7.81 294 N 8.14 4.91 0.00 2.73 2.76 0.00 0.00 6.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 295 I 7.88 3.09 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.22 0.83 0.00 0.00 296 G 8.35 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 297 K 8.13 3.84 0.00 1.77 1.88 0.00 1.43 0.00 0.00 1.37 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.64 1.12 7.81 298 F 8.66 4.88 0.00 3.58 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 299 Q 8.30 4.17 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 300 E 8.27 4.15 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 301 E 8.20 3.96 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 302 A 8.51 3.14 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 303 N 8.50 4.36 0.00 2.78 2.75 0.00 0.00 7.10 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 304 I 7.21 3.95 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.13 0.30 0.00 0.00 305 Y 7.41 4.47 0.00 3.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 306 A 7.53 3.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 307 A 7.79 4.18 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00