NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 247 P 4.2050 0.0000 0.0000 62.1455 32.7421 175.3158 248 E 4.1416 8.1610 120.1067 54.0059 31.6321 174.7611 249 F 5.1161 9.0491 122.2812 55.8671 43.3962 174.8637 250 D 4.8974 8.3391 120.7287 51.1895 41.3633 174.7378 251 P 4.3249 0.0000 0.0000 65.5578 31.2893 177.6572 252 I 3.7712 7.9261 116.7423 63.9825 37.7999 177.5971 253 L 4.1292 8.2025 119.6774 57.0997 41.1984 178.4970 254 L 4.2800 8.1432 121.6031 56.3981 42.8128 177.8517 255 R 4.2269 7.4092 118.1615 55.5952 30.1953 179.8178 256 P 4.8087 0.0000 0.0000 61.7193 32.3052 178.1217 257 V 3.7069 8.2717 114.2020 64.6464 31.3075 178.7045 258 D 4.4186 8.1302 118.2412 57.3506 40.4039 178.0005 259 D 4.5469 7.9649 117.9429 56.2897 40.8837 177.9115 260 L 4.1127 7.8596 118.7930 54.7364 42.7210 176.2462 261 E 3.6991 7.8867 117.4318 57.3425 27.0726 173.5219 262 L 4.4615 7.4886 118.0319 53.7827 43.5326 177.9955 263 T 4.0410 9.2048 110.7263 61.7990 70.3560 175.2651 264 V 3.5273 8.4152 122.1207 66.3316 31.3605 178.3273 265 R 3.8506 7.9276 117.6279 59.5991 30.0254 178.4107 266 S 4.0679 8.0621 114.5279 61.5109 62.6389 176.4874 267 A 3.9732 7.8871 121.9986 55.5186 18.2540 179.2003 268 N 4.4190 8.1472 113.5329 56.5422 38.6059 177.2422 269 C 4.3600 8.1152 117.6915 62.5821 28.4956 176.9133 270 L 4.0727 7.8569 118.0030 55.1668 40.8790 178.7643 *272 A 4.2764 7.9825 122.7310 51.8843 20.0839 178.0836 273 E 4.4043 8.1425 114.5195 55.6680 29.5908 176.2471 274 A 3.5910 7.8829 119.3459 53.4506 15.8092 179.1726 275 I 4.2983 6.7882 119.0042 61.7958 36.4618 175.0430 276 H 4.5563 8.5701 121.7710 56.1076 30.2800 174.5216 277 Y 5.2397 8.0142 115.7599 55.2601 42.8436 176.3657 278 I 3.8765 9.1375 122.6144 64.6773 36.8863 179.1734 279 G 2.9065 8.1814 105.7750 47.4449 0.0000 175.2057 280 D 4.2896 7.9672 120.6260 56.9506 40.9708 178.4961 281 L 3.9491 7.6463 120.2062 58.3117 42.1802 179.3513 282 V 3.9002 7.6297 112.8401 63.0076 31.1755 177.7271 283 Q 4.1716 7.1381 116.5493 55.3524 29.4247 176.3129 284 R 4.3494 7.2798 119.7839 55.9200 31.2142 175.6864 285 T 4.7477 8.1139 110.4074 60.1095 72.2018 175.5661 286 E 3.8902 8.4903 122.2581 59.4616 29.4959 179.1729 287 V 3.5580 7.6784 116.8500 66.0206 31.6954 177.1527 288 E 4.0678 7.7555 117.7871 59.2842 29.5587 178.5026 289 L 4.1802 7.8889 118.2136 57.1939 42.1377 179.2118 290 L 4.2360 7.8897 120.1289 53.8145 41.6791 177.0383 *292 T 4.1587 7.2296 107.5411 60.7057 70.2687 172.8178 293 P 4.2029 0.0000 0.0000 65.6318 31.3218 177.2834 294 N 4.8624 8.0945 110.6229 52.6824 39.3084 173.9171 295 L 4.6347 7.5267 119.1729 53.1290 43.5434 175.5513 296 G 3.8186 8.6579 111.1693 47.2161 0.0000 175.2583 *299 S 4.3853 7.9129 115.8611 58.0440 64.8487 176.2140 300 L 3.9837 7.9446 118.8958 58.1506 41.3542 179.3631 301 T 3.9969 7.8082 113.9545 66.5286 68.6666 175.7544 302 E 4.1358 8.0978 120.6073 59.2777 29.7437 179.6743 303 I 4.0095 7.8891 117.1559 62.0968 37.0294 177.6254 *305 D 4.5566 8.0510 121.9879 54.4824 42.6042 178.2546 306 V 3.6570 7.9290 118.2224 65.6771 31.2747 178.2406 307 L 3.9935 8.0543 118.7719 57.7242 41.4982 179.1358 308 A 4.3116 8.2469 121.8079 54.5418 18.1488 179.2999 309 S 4.2769 7.8923 110.5959 60.2602 63.0045 175.1913 310 R 4.4547 6.9344 120.2945 55.8748 30.5021 176.2486 311 G 3.8521 8.3941 105.1965 45.8994 0.0000 173.5598 312 L 4.7165 7.9112 119.9219 52.8821 44.0522 175.0116 313 S 4.5826 7.8308 112.6458 57.6574 65.5476 173.2469 314 L 4.2082 8.2536 120.4783 54.3428 42.5014 176.3096 315 G 3.9441 8.7663 106.1733 46.8967 0.0000 173.9448 316 M 4.2067 8.5902 119.9511 54.3598 32.7724 175.6586 317 R 4.3941 8.3766 123.2904 54.9490 31.3830 175.4058 318 L 4.8609 8.2555 124.2491 52.9451 44.5650 175.3522 319 E 4.6769 8.3775 119.2436 55.8113 32.6884 175.9051 320 N 4.1880 8.7710 117.7374 54.4569 35.6991 173.9000 321 W 4.6972 7.8398 126.3128 54.7891 33.4882 173.2062 322 P 2.9700 0.0000 0.0000 59.9384 32.0347 173.7280 323 P 3.9493 0.0000 0.0000 62.3407 31.6796 176.3212 324 A 4.1029 7.8886 122.5686 52.2585 18.9515 176.9720 325 S 4.5519 7.8157 113.3895 56.5988 66.1917 173.6304 326 I 3.9322 8.0802 121.8876 60.2517 37.3184 176.2856 327 A 4.0500 8.3595 128.7474 52.1122 18.8149 176.7976 328 D 4.6932 8.3466 121.2134 53.9658 42.2375 176.6505 329 E 4.2680 8.4496 118.4534 56.8327 29.9947 176.3188 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 247 P 0.00 4.21 0.00 1.57 1.83 0.00 3.52 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 248 E 8.16 4.14 0.00 1.87 1.73 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 2.08 2.27 0.00 249 F 9.05 5.12 0.00 3.03 2.90 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 0.00 250 D 8.34 4.90 0.00 2.74 2.62 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 0.00 251 P 0.00 4.32 0.00 2.20 2.17 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 252 I 7.93 3.77 1.91 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 1.68 1.39 0.95 0.00 0.00 253 L 8.20 4.13 0.00 1.98 1.95 1.03 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 254 L 8.14 4.28 0.00 1.77 1.72 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 255 R 7.41 4.23 0.00 1.73 1.80 0.00 3.32 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 256 P 0.00 4.81 0.00 2.14 1.84 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 257 V 8.27 3.71 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 0.89 0.00 0.00 0.87 0.00 0.00 258 D 8.13 4.42 0.00 2.67 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 0.00 259 D 7.96 4.55 0.00 2.79 2.75 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 0.00 260 L 7.86 4.11 0.00 1.77 1.72 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 261 E 7.89 3.70 0.00 2.12 2.00 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 2.25 2.26 0.00 262 L 7.49 4.46 0.00 1.63 1.71 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 263 T 9.20 4.04 4.24 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 0.00 0.00 1.30 0.00 0.00 264 V 8.42 3.53 2.08 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 1.10 0.00 0.00 0.93 0.00 0.00 265 R 7.93 3.85 0.00 1.88 1.90 0.00 3.40 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 266 S 8.06 4.07 0.00 4.06 3.89 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 0.00 267 A 7.89 3.97 1.32 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 0.00 268 N 8.15 4.42 0.00 2.80 2.89 0.00 0.00 7.16 8.37 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 0.00 269 C 8.12 4.36 0.00 3.14 2.98 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 0.00 0.00 0.00 270 L 7.86 4.07 0.00 1.83 1.64 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *272 A 7.98 4.28 1.37 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 0.00 0.00 273 E 8.14 4.40 0.00 2.12 1.93 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 2.43 2.36 0.00 274 A 7.88 3.59 1.40 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 0.00 0.00 0.00 275 I 6.79 4.30 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 0.91 0.00 0.00 276 H 8.57 4.56 0.00 3.03 2.87 0.00 5.56 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 277 Y 8.01 5.24 0.00 3.33 3.16 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 0.00 278 I 9.14 3.88 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 0.92 0.00 0.00 279 G 8.18 2.91 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 0.00 280 D 7.97 4.29 0.00 3.01 2.78 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 0.00 281 L 7.65 3.95 0.00 1.74 1.78 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 282 V 7.63 3.90 2.08 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 1.04 0.00 0.00 0.85 0.00 0.00 283 Q 7.14 4.17 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.08 0.00 284 R 7.28 4.35 0.00 1.90 1.81 0.00 3.54 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 285 T 8.11 4.75 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 1.19 0.00 0.00 286 E 8.49 3.89 0.00 2.04 1.97 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 2.37 2.36 0.00 287 V 7.68 3.56 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 0.89 0.00 0.00 0.92 0.00 0.00 288 E 7.76 4.07 0.00 1.95 2.14 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 2.31 2.34 0.00 289 L 7.89 4.18 0.00 1.79 1.70 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 290 L 7.89 4.24 0.00 1.75 1.68 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 *292 T 7.23 4.16 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 1.29 0.00 0.00 293 P 0.00 4.20 0.00 2.06 2.17 0.00 3.74 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 2.03 2.12 0.00 294 N 8.09 4.86 0.00 2.65 2.80 0.00 0.00 6.79 7.85 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 L 7.53 4.63 0.00 1.88 1.58 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 296 G 8.66 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *299 S 7.91 4.39 0.00 3.92 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 0.00 300 L 7.94 3.98 0.00 1.75 1.72 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 301 T 7.81 4.00 4.24 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 0.00 0.00 1.21 0.00 0.00 302 E 8.10 4.14 0.00 2.02 2.13 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 2.37 2.40 0.00 303 I 7.89 4.01 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.90 0.00 0.00 *305 D 8.05 4.56 0.00 2.99 2.75 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 V 7.93 3.66 2.08 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 0.99 0.00 0.00 307 L 8.05 3.99 0.00 1.77 1.68 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 308 A 8.25 4.31 1.31 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 0.00 0.00 0.00 0.00 0.00 309 S 7.89 4.28 0.00 4.07 4.01 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 0.00 0.00 0.00 310 R 6.93 4.45 0.00 1.81 1.94 0.00 3.22 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 311 G 8.39 3.85 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 0.00 312 L 7.91 4.72 0.00 1.81 1.56 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 313 S 7.83 4.58 0.00 3.93 3.93 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 0.00 314 L 8.25 4.21 0.00 1.63 1.80 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 315 G 8.77 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 0.00 0.00 0.00 316 M 8.59 4.21 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 317 R 8.38 4.39 0.00 1.75 1.81 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 318 L 8.26 4.86 0.00 1.70 1.60 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 319 E 8.38 4.68 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 320 N 8.77 4.19 0.00 2.95 2.89 0.00 0.00 6.76 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 0.00 321 W 7.84 4.70 0.00 3.36 2.95 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 0.00 322 P 0.00 2.97 0.00 1.45 1.21 0.00 3.68 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 323 P 0.00 3.95 0.00 1.60 1.74 0.00 2.29 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.63 0.00 324 A 7.89 4.10 1.07 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 0.00 0.00 0.00 0.00 0.00 325 S 7.82 4.55 0.00 3.84 3.67 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 0.00 326 I 8.08 3.93 1.84 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 1.31 0.50 0.88 0.00 0.00 327 A 8.36 4.05 1.21 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 0.00 0.00 0.00 0.00 0.00 328 D 8.35 4.69 0.00 2.64 2.63 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 0.00 329 E 8.45 4.27 0.00 1.90 1.79 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 2.18 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.