NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4376 8.3344 117.1002 58.0375 62.8704 171.7633 3 D 4.7918 8.2573 125.9233 50.7130 42.8672 174.5668 4 K 4.2530 8.8916 127.9056 57.4573 34.8860 176.3676 5 T 4.5678 7.8953 116.8651 60.7299 67.5508 174.5567 *7 K 4.2539 8.8868 120.4137 58.8487 34.0654 177.9016 8 D 4.4283 8.2648 120.2253 58.7294 39.5336 180.4146 9 I 3.9088 7.7657 121.3268 64.3598 37.0737 178.4511 10 Q 4.0065 8.1503 117.9303 59.0098 28.5842 178.7306 11 A 4.0037 8.5230 121.9749 55.1626 18.2958 179.1515 12 E 3.9137 8.7716 118.1336 59.6316 29.6863 179.3325 13 V 3.8475 8.0264 118.2083 66.0290 31.5297 177.4649 14 D 5.1107 8.3468 119.4602 57.0620 40.8362 178.5148 15 R 3.8992 8.0652 117.8638 59.1265 30.2929 178.2098 16 Y 4.1427 7.8406 119.5682 60.9144 38.8269 177.9758 17 I 3.6408 8.0550 120.8346 64.2504 36.9179 178.6003 18 G 3.4580 7.7884 105.4576 47.1702 0.0000 175.4387 19 Q 3.7448 7.2119 119.6836 56.9604 28.6670 176.3629 20 F 4.9456 6.2782 120.2641 55.7810 41.5636 177.6253 21 K 4.0236 8.7197 123.9604 57.9291 31.7422 179.1923 22 E 3.9771 8.3296 118.2443 57.5340 29.9396 178.8665 23 G 3.5998 7.1643 106.4901 45.5107 0.0000 172.7068 24 Y 4.3014 7.8555 117.1494 57.6399 38.7614 175.3956 25 F 4.7851 8.6424 121.4370 57.0219 40.0479 175.8216 26 S 4.4435 8.6687 117.4214 57.5828 63.7241 173.3367 27 P 4.2346 0.0000 0.0000 66.0452 31.1114 178.1147 28 L 4.0691 7.9080 115.5460 57.4311 42.1588 177.9480 29 A 4.0694 7.8238 122.9944 51.0796 16.5447 177.1533 *32 A 4.2966 7.8936 124.4683 51.6243 21.3055 180.0069 33 R 3.8437 7.7769 114.8242 59.2591 29.9592 178.8775 34 L 3.9833 7.8661 118.2100 58.4323 41.8516 179.4760 35 T 3.8453 7.9657 114.8606 66.6417 68.0718 176.0705 36 E 3.8964 8.1693 120.9881 59.4913 29.8803 178.7730 37 E 4.0918 8.5469 118.2002 58.4697 29.4491 178.9727 38 L 4.1505 8.2641 121.7426 57.6157 42.0744 178.8860 39 G 3.6060 7.9548 105.3319 47.9655 0.0000 175.4430 40 E 3.9819 7.8617 121.5115 58.9230 29.4822 179.3456 41 L 3.9667 7.8857 119.6304 58.0163 42.1880 178.7542 42 A 4.0163 8.4700 121.2396 55.1371 18.2050 179.4764 43 R 3.8556 8.3405 117.4641 59.6426 30.1415 178.6058 44 E 3.9833 8.0074 117.8206 59.6060 29.4341 179.6159 45 V 3.8841 7.9516 117.9419 65.5778 31.1990 177.6033 46 N 4.3678 7.7355 115.8661 56.8314 39.1378 176.2849 47 H 4.2451 8.4403 118.0281 58.1710 29.9516 175.2954 48 R 4.3444 7.9055 117.6503 56.2557 31.5778 175.0632 49 Y 4.6378 7.9453 112.8107 59.7837 44.0383 175.1572 *62 S 4.2193 7.8474 116.8354 58.4802 64.0480 177.9100 *64 E 4.3941 8.6115 112.5071 58.4823 32.0649 174.6000 65 E 4.0462 8.0284 116.8980 61.5455 29.5972 182.5772 66 E 4.4564 8.2585 119.5214 58.5796 29.5540 179.1640 67 I 3.8857 7.7523 119.5635 63.3723 37.6506 178.1158 68 G 3.6716 7.8913 106.3800 47.6521 0.0000 175.6022 69 D 4.4365 8.1621 121.2355 57.4268 40.9812 179.0946 70 V 3.7019 7.4301 118.3282 65.7072 31.4696 177.8322 71 L 4.0394 7.8774 120.0942 57.9058 41.8662 178.2761 72 F 4.1748 8.7434 121.1901 61.2504 39.2816 176.9228 73 V 3.4702 8.2476 117.5687 66.1891 31.4695 177.8238 74 L 3.8876 7.8470 119.5715 58.2354 41.8677 179.2092 75 V 3.5320 7.7305 118.0777 65.9530 31.3667 177.6435 76 C 3.8857 7.8930 116.6457 62.7456 27.4918 175.7187 77 L 3.8057 7.9863 121.6080 58.1385 41.5782 178.8401 78 A 3.9131 7.6843 120.0444 55.2916 18.4532 179.2024 79 N 4.1087 8.3082 115.5070 56.4647 38.4252 177.6319 80 S 4.0611 7.4012 113.6433 59.8860 63.0001 174.7386 81 L 4.5949 6.7161 119.9493 53.7923 42.2077 175.7579 82 D 4.3873 7.6935 116.1907 55.2311 38.9353 173.4906 83 I 4.1178 7.6318 119.3965 60.3780 38.3220 176.1097 84 S 4.4824 8.4112 119.4964 57.3424 63.6514 174.9729 85 L 4.0419 8.4901 129.3660 57.5475 41.4493 179.0874 86 E 3.9523 8.0930 118.9840 59.4924 29.6818 178.5531 87 E 3.9689 7.9556 118.4762 59.1962 29.4418 179.3016 88 A 3.9301 7.9764 120.7977 55.5813 18.3287 179.2657 89 H 4.1840 8.5973 115.4713 59.2600 29.8803 176.8808 90 D 4.4040 7.7881 120.2735 57.1286 41.0868 178.4822 91 R 4.0583 8.1311 118.7724 59.0151 29.5933 179.4066 92 V 3.3229 7.7081 116.6537 63.4810 31.5953 177.2267 *94 H 4.5841 8.3179 120.8198 56.2363 31.5552 175.7610 95 K 3.9469 7.9330 119.5140 57.7248 31.5902 179.9174 96 F 4.6765 7.3652 116.9633 60.5961 38.7648 176.7656 97 N 4.3265 8.1963 119.3182 56.9855 38.6484 176.2004 98 T 3.7376 8.3107 121.1858 62.2957 67.8335 177.3720 99 R 4.3204 8.4657 125.0007 55.9231 29.3707 173.9131 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 2 S 8.33 4.44 0.00 3.65 3.78 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 3 D 8.26 4.79 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.89 4.25 0.00 1.80 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.44 7.81 5 T 7.90 4.57 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 *7 K 8.89 4.25 0.00 1.85 1.93 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 8 D 8.26 4.43 0.00 2.68 2.70 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 9 I 7.77 3.91 1.89 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 1.55 0.84 0.95 0.00 0.00 10 Q 8.15 4.01 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 11 A 8.52 4.00 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 12 E 8.77 3.91 0.00 2.16 2.19 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 0.00 2.37 2.37 0.00 13 V 8.03 3.85 2.33 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 0.98 0.00 0.00 1.11 0.00 0.00 14 D 8.35 5.11 0.00 3.04 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 15 R 8.07 3.90 0.00 2.06 1.99 0.00 3.22 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 16 Y 7.84 4.14 0.00 3.06 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.05 3.64 1.46 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.85 0.01 0.00 0.00 18 G 7.79 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 0.00 0.00 0.00 19 Q 7.21 3.74 0.00 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.67 0.00 0.00 0.00 0.00 0.00 2.08 2.30 0.00 20 F 6.28 4.95 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.72 4.02 0.00 1.77 1.73 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.03 7.81 22 E 8.33 3.98 0.00 1.79 1.90 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 2.23 2.34 0.00 23 G 7.16 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.86 4.30 0.00 3.14 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.64 4.79 0.00 3.12 2.93 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 26 S 8.67 4.44 0.00 4.05 4.07 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 27 P 0.00 4.23 0.00 2.07 2.20 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 28 L 7.91 4.07 0.00 1.64 1.73 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.82 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 A 7.89 4.30 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 33 R 7.78 3.84 0.00 1.80 2.00 0.00 3.14 0.00 0.00 2.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.44 0.00 34 L 7.87 3.98 0.00 1.68 1.72 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.97 3.85 4.36 0.00 0.00 0.00 0.00 0.00 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 36 E 8.17 3.90 0.00 2.12 2.17 0.00 0.00 0.00 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 37 E 8.55 4.09 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 38 L 8.26 4.15 0.00 1.88 1.79 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.95 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.86 3.98 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 41 L 7.89 3.97 0.00 1.92 1.82 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.47 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.34 3.86 0.00 1.88 2.15 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 44 E 8.01 3.98 0.00 2.19 2.05 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 2.34 2.49 0.00 45 V 7.95 3.88 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 1.01 0.00 0.00 1.03 0.00 0.00 46 N 7.74 4.37 0.00 2.99 2.94 0.00 0.00 7.12 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 H 8.44 4.25 0.00 3.25 3.54 0.00 5.94 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.91 4.34 0.00 1.81 1.94 0.00 3.38 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 49 Y 7.95 4.64 0.00 3.00 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 *62 S 7.85 4.22 0.00 3.68 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *64 E 8.61 4.39 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.88 0.00 65 E 8.03 4.05 0.00 1.97 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 2.31 1.96 0.00 66 E 8.26 4.46 0.00 2.01 2.05 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 2.50 2.51 0.00 67 I 7.75 3.89 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.17 0.92 0.00 0.00 68 G 7.89 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 0.00 0.00 0.00 69 D 8.16 4.44 0.00 2.76 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 70 V 7.43 3.70 2.11 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 1.02 0.00 0.00 1.03 0.00 0.00 71 L 7.88 4.04 0.00 1.93 1.92 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.74 4.17 0.00 3.18 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.25 3.47 2.15 0.00 0.00 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 1.20 0.00 0.00 74 L 7.85 3.89 0.00 2.01 1.82 0.92 0.88 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 75 V 7.73 3.53 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 0.84 0.00 0.00 1.03 0.00 0.00 76 C 7.89 3.89 0.00 3.09 3.07 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 77 L 7.99 3.81 0.00 1.71 1.78 0.89 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.68 3.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.31 4.11 0.00 2.16 2.64 0.00 0.00 6.85 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.40 4.06 0.00 3.91 3.47 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 0.00 0.00 0.00 0.00 81 L 6.72 4.59 0.00 1.58 1.62 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.69 4.39 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.63 4.12 1.82 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 1.25 0.73 0.88 0.00 0.00 84 S 8.41 4.48 0.00 3.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.49 4.04 0.00 1.76 1.70 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.09 3.95 0.00 2.05 1.95 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 2.40 2.44 0.00 87 E 7.96 3.97 0.00 2.13 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 2.32 2.33 0.00 88 A 7.98 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.60 4.18 0.00 3.07 3.62 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.79 4.40 0.00 2.84 2.68 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 0.00 0.00 0.00 0.00 91 R 8.13 4.06 0.00 1.93 1.90 0.00 3.08 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 92 V 7.71 3.32 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 0.79 0.00 0.00 0.93 0.00 0.00 *94 H 8.32 4.58 0.00 3.27 3.44 0.00 5.74 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.93 3.95 0.00 1.84 1.72 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.30 7.81 96 F 7.37 4.68 0.00 3.08 3.01 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 97 N 8.20 4.33 0.00 2.81 2.81 0.00 0.00 6.77 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.31 3.74 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 99 R 8.47 4.32 0.00 1.99 1.81 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 * Residues marked with a * may have inaccurate shift predictions.