NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2541 8.4293 120.2277 56.4762 30.7024 175.6541 5 T 4.0470 8.2835 114.4914 60.3299 70.2785 172.0734 6 I 4.2348 7.9848 121.7177 59.1400 40.2400 176.7965 7 N 4.6354 8.6344 124.4159 52.2098 39.5818 175.1382 8 L 3.9929 8.4188 128.9184 57.9752 41.9034 179.6461 9 K 3.9803 8.0333 117.8459 59.3611 31.9218 179.1305 10 Q 3.8817 8.7679 120.2078 59.6251 28.8324 177.9245 11 H 4.0875 8.2976 116.2123 58.8419 29.0635 177.4358 12 L 4.1465 8.1044 120.3242 57.1127 41.2927 179.2086 13 A 3.9577 7.8644 120.2846 54.8635 18.3856 179.1495 14 A 4.1395 7.5728 118.5604 53.5781 18.3897 177.5456 15 I 4.0788 6.9933 118.4458 60.4414 37.4575 175.8015 16 K 4.3777 8.5387 123.7271 55.9476 32.9806 175.7607 17 E 4.8235 7.6659 117.4868 54.7336 32.9702 175.2260 18 Y 4.4531 8.7766 117.8687 59.4899 38.7740 177.0051 19 W 4.6004 8.1263 118.4890 56.6793 29.6717 176.6058 20 Q 4.5190 7.8247 118.9504 53.0628 28.7029 173.6073 21 P 4.6667 0.0000 0.0000 62.5930 32.7015 175.4676 22 E 4.4769 9.1201 123.9944 55.0811 31.0135 174.4719 23 I 4.7965 8.3012 128.1258 60.0518 38.8828 175.3179 24 I 4.7478 8.8280 126.9054 59.5636 40.9182 174.2339 25 N 5.7156 8.7598 121.8360 52.0360 41.9595 175.2862 26 R 4.3721 9.0726 121.2470 56.4793 33.4861 176.1051 27 H 3.7574 8.6673 125.0562 56.8035 27.1457 177.9358 28 G 3.8273 8.6409 112.0209 46.7423 0.0000 171.9318 29 F 5.1808 8.4997 117.9732 55.2636 43.3073 173.6069 30 Q 5.1213 9.2922 124.2734 54.3126 31.7121 173.9655 31 F 5.3190 9.1424 124.4152 55.9951 42.3361 173.9002 32 H 5.2823 9.2794 120.2907 54.0168 31.5018 172.8770 33 L 5.3129 8.8053 123.3525 53.2911 44.4839 176.0303 34 V 4.6465 8.4544 114.6977 60.0746 36.5855 173.3365 35 K 4.8581 8.3415 123.3921 54.8969 33.8292 175.7627 36 L 3.0299 8.8095 124.1844 53.2119 44.3967 174.7612 37 L 4.4809 7.4634 120.5723 55.9725 43.8266 178.8246 38 G 3.8824 9.1853 107.5131 45.9676 0.0000 175.2875 39 D 5.1856 8.8362 120.3724 52.2901 42.9235 174.3962 40 Y 4.1534 8.0440 114.6609 57.5232 39.3778 177.8060 41 G 3.7298 8.9132 108.7732 45.1018 0.0000 173.3364 42 W 4.5699 8.6612 121.1337 55.2063 31.3456 174.8617 43 H 5.1055 8.7428 120.7146 54.4643 30.9147 174.5512 44 T 4.6689 8.2859 107.7084 61.5506 69.7139 175.5730 45 H 4.2820 8.0530 116.7436 55.6817 28.0932 174.1321 *49 D 4.5994 8.4514 119.6924 54.6172 41.6147 175.9376 50 K 4.8874 8.4235 123.1540 54.9767 36.7163 175.2946 51 V 4.7820 8.2942 121.1368 61.7711 33.4101 174.6030 52 L 5.2842 9.1716 126.7654 52.9219 45.1109 175.8002 53 F 5.1396 9.2605 124.5494 56.4974 42.7680 173.4338 54 A 4.2018 8.2816 128.8298 51.0097 18.7823 177.8170 55 V 2.8165 8.4959 123.0294 65.8934 32.1382 175.9899 56 E 4.6341 7.5264 119.4392 54.9609 33.6100 176.8120 57 G 4.2323 8.5288 111.7339 44.7580 0.0000 171.5342 58 D 4.8456 8.1033 116.1489 52.2188 44.9032 174.4512 *60 A 4.2087 8.0235 120.6260 52.0458 20.5467 175.6380 61 V 4.5967 7.9996 117.8591 61.2189 34.5994 174.0773 62 D 4.9467 8.4047 127.8562 53.2907 42.9015 175.7236 63 F 5.0579 10.3722 120.6847 55.7017 41.1611 176.7618 64 A 3.8149 8.6926 125.2612 55.6754 18.1519 178.9204 65 D 4.5377 8.1808 111.4192 54.0133 39.5659 176.2899 66 G 4.1875 8.2387 109.0737 46.0951 0.0000 175.1985 67 G 3.8549 8.7911 108.9521 45.8007 0.0000 172.7213 68 S 5.2903 8.0017 113.5842 56.2147 65.6611 172.6801 *70 T 4.0348 8.2265 116.0066 63.5367 69.0099 173.7223 71 I 4.3291 8.2238 126.6325 59.5718 38.5942 175.5958 72 R 4.3775 8.5720 125.2635 54.3066 31.2163 176.0051 73 E 4.0578 8.7336 120.4138 58.4847 29.6386 177.3225 74 G 4.0455 9.0280 114.1158 45.6709 0.0000 173.1184 75 E 4.7180 7.8287 120.4470 54.6427 31.9543 174.5770 *77 A 4.6048 8.1589 120.6890 52.8143 20.6270 176.1570 78 V 4.7563 8.2204 118.2303 60.0370 33.8296 175.8714 79 V 4.2030 8.5377 125.6143 60.8651 31.3368 172.9085 80 P 4.3340 0.0000 0.0000 63.4364 31.8825 175.5026 81 K 4.0983 8.1268 122.2906 57.7629 32.9629 176.1829 82 S 4.3837 9.6086 115.9250 57.9380 60.5971 167.9085 83 V 4.8353 7.0665 116.8214 59.5219 34.5664 174.8339 84 S 5.4912 8.8394 115.7877 57.5907 65.0644 172.5506 85 H 4.7254 8.5051 115.7829 55.6424 31.6822 172.9521 86 R 4.1997 7.8637 119.0098 53.7298 31.6348 171.7298 87 P 4.9442 0.0000 0.0000 62.7216 32.1221 175.6500 88 R 4.8651 9.0370 119.6266 55.9144 32.9530 174.6221 89 S 4.2374 9.0703 114.1853 57.5479 64.4044 173.9304 90 E 3.8282 9.1666 129.5264 59.1486 29.2510 177.3898 91 N 4.8658 7.9228 110.4390 52.0022 40.3274 174.5552 92 G 4.1288 8.4864 108.8473 45.4853 0.0000 172.6434 93 C 4.9707 9.3504 124.4991 57.7527 35.6666 172.5631 94 S 5.0281 8.7908 121.8076 57.0124 64.6349 172.8434 95 L 5.0492 8.8502 126.7980 53.2054 45.0334 175.1870 96 V 4.8467 8.5347 126.0944 61.7365 33.7100 174.4402 97 L 5.3726 9.1895 126.4814 53.0196 45.5939 175.3608 98 I 4.8941 8.6196 122.9461 59.5193 40.5305 174.5742 99 E 5.1615 9.4117 123.9312 54.3322 33.8562 174.1296 100 L 4.0876 8.5390 122.9446 56.8639 40.7800 178.0424 101 S 4.4054 8.4411 121.5622 58.7958 61.9534 170.7788 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 4 E 8.43 4.25 0.00 1.97 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 2.20 2.30 0.00 5 T 8.28 4.05 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 6 I 7.98 4.23 1.58 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.41 0.69 0.00 0.00 7 N 8.63 4.64 0.00 2.74 2.70 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.42 3.99 0.00 1.82 1.76 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.03 3.98 0.00 1.89 1.84 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.49 7.81 10 Q 8.77 3.88 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 11 H 8.30 4.09 0.00 3.19 3.33 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.10 4.15 0.00 1.93 1.66 0.87 0.98 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 13 A 7.86 3.96 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 14 A 7.57 4.14 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 15 I 6.99 4.08 1.77 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 1.26 0.75 0.83 0.00 0.00 16 K 8.54 4.38 0.00 1.66 1.77 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.42 7.81 17 E 7.67 4.82 0.00 1.90 1.87 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 2.19 2.25 0.00 18 Y 8.78 4.45 0.00 3.10 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 19 W 8.13 4.60 0.00 3.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.82 4.52 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 21 P 0.00 4.67 0.00 2.11 2.08 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 22 E 9.12 4.48 0.00 2.04 1.86 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 2.24 2.28 0.00 23 I 8.30 4.80 1.83 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 1.22 0.39 0.83 0.00 0.00 24 I 8.83 4.75 1.96 0.00 0.00 0.56 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 0.74 0.86 0.00 0.00 25 N 8.76 5.72 0.00 2.59 2.75 0.00 0.00 6.78 7.66 0.00 0.00 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 R 9.07 4.37 0.00 2.14 2.04 0.00 3.50 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 27 H 8.67 3.76 0.00 3.57 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.64 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 29 F 8.50 5.18 0.00 3.20 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 9.29 5.12 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 31 F 9.14 5.32 0.00 3.01 2.97 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 32 H 9.28 5.28 0.00 3.05 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.81 5.31 0.00 1.61 1.53 0.99 0.81 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 34 V 8.45 4.65 1.85 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 0.60 0.00 0.00 0.91 0.00 0.00 35 K 8.34 4.86 0.00 1.16 1.44 0.00 1.34 0.00 0.00 1.31 0.00 0.00 2.56 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.24 7.81 36 L 8.81 3.03 0.00 1.30 1.24 0.19 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.46 4.48 0.00 0.59 1.21 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.19 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.84 5.19 0.00 2.75 2.59 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 40 Y 8.04 4.15 0.00 2.42 2.77 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 41 G 8.91 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.66 4.57 0.00 3.19 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 43 H 8.74 5.11 0.00 3.08 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.29 4.67 4.31 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 1.27 0.00 0.00 45 H 8.05 4.28 0.00 3.28 3.50 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 D 8.45 4.60 0.00 2.74 2.73 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 0.00 0.00 0.00 50 K 8.42 4.89 0.00 2.04 1.83 0.00 1.19 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.36 7.81 51 V 8.29 4.78 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 52 L 9.17 5.28 0.00 1.66 1.56 0.97 0.76 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 53 F 9.26 5.14 0.00 3.01 2.88 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 0.00 0.00 0.00 54 A 8.28 4.20 1.16 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 0.00 0.00 55 V 8.50 2.82 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 0.70 0.00 0.00 0.89 0.00 0.00 56 E 7.53 4.63 0.00 1.95 1.63 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 2.34 2.23 0.00 57 G 8.53 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 0.00 0.00 0.00 0.00 58 D 8.10 4.85 0.00 2.60 2.54 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 0.00 0.00 0.00 0.00 *60 A 8.02 4.21 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 61 V 8.00 4.60 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 0.60 0.00 0.00 0.91 0.00 0.00 62 D 8.40 4.95 0.00 2.33 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 63 F 10.37 5.06 0.00 3.33 3.13 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 0.00 0.00 0.00 64 A 8.69 3.81 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 65 D 8.18 4.54 0.00 2.83 2.84 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 66 G 8.24 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.79 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 68 S 8.00 5.29 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *70 T 8.23 4.03 4.27 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 1.22 0.00 0.00 71 I 8.22 4.33 1.87 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 1.45 0.64 0.94 0.00 0.00 72 R 8.57 4.38 0.00 1.86 1.84 0.00 3.31 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 73 E 8.73 4.06 0.00 1.99 1.85 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 2.28 2.33 0.00 74 G 9.03 4.05 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 0.00 0.00 0.00 75 E 7.83 4.72 0.00 2.16 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 2.28 2.46 0.00 *77 A 8.16 4.60 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 78 V 8.22 4.76 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.01 0.00 0.00 79 V 8.54 4.20 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 0.87 0.00 0.00 1.00 0.00 0.00 80 P 0.00 4.33 0.00 2.17 2.23 0.00 3.96 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.92 0.00 81 K 8.13 4.10 0.00 1.94 2.05 0.00 1.51 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.53 7.81 82 S 9.61 4.38 0.00 3.99 4.25 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 83 V 7.07 4.84 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 1.02 0.00 0.00 1.05 0.00 0.00 84 S 8.84 5.49 0.00 4.16 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.51 4.73 0.00 2.81 3.27 0.00 5.42 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.86 4.20 0.00 0.67 0.66 0.00 2.64 0.00 0.00 2.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.16 0.00 87 P 0.00 4.94 0.00 2.13 2.04 0.00 3.53 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 88 R 9.04 4.87 0.00 1.83 1.83 0.00 3.03 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 89 S 9.07 4.24 0.00 3.88 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 90 E 9.17 3.83 0.00 1.94 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 2.30 2.43 0.00 91 N 7.92 4.87 0.00 2.51 2.75 0.00 0.00 7.31 7.53 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 92 G 8.49 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 93 C 9.35 4.97 0.00 3.04 2.61 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 94 S 8.79 5.03 0.00 3.78 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 95 L 8.85 5.05 0.00 1.60 1.51 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.53 4.85 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 1.21 0.00 0.00 1.09 0.00 0.00 97 L 9.19 5.37 0.00 1.61 1.48 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.62 4.89 1.83 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.04 0.66 0.00 0.00 99 E 9.41 5.16 0.00 1.92 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 2.19 2.25 0.00 100 L 8.54 4.09 0.00 1.43 1.61 0.84 0.50 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 0.00 101 S 8.44 4.41 0.00 3.40 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.