NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0113 8.3393 109.7356 45.3882 0.0000 175.5219 2 S 4.4295 8.0485 120.3779 58.1093 63.1599 173.2903 3 S 5.8318 8.6141 125.4909 59.7180 66.2266 178.6564 *5 S 4.4976 7.8122 116.5654 57.7066 63.8820 173.5937 6 S 4.7987 7.9114 110.2706 57.6113 64.4157 175.0918 7 G 4.0436 7.8327 108.7080 45.3485 0.0000 171.1878 8 P 5.0710 0.0000 0.0000 62.8759 32.5871 175.8822 9 S 4.7431 8.9028 115.0857 56.8634 66.2828 172.9934 10 Q 4.4773 9.3411 127.0510 55.3136 29.3984 174.9682 11 V 4.4260 8.8311 126.1855 61.0957 33.3781 174.6314 12 A 5.0044 8.8147 131.9559 50.7472 20.2225 175.6214 13 F 4.9322 9.2925 122.3396 57.3654 40.7803 175.3039 14 E 5.3995 9.5639 122.7631 54.7801 33.4135 174.6660 15 I 4.8417 8.5985 122.3596 59.6651 42.1645 173.5806 16 R 5.0242 9.0813 125.1332 53.9286 33.6336 175.2688 17 G 4.6272 8.3569 110.3000 46.5751 0.0000 172.2328 18 T 4.5336 8.4956 110.7966 60.8316 69.9865 174.2314 19 L 4.5895 7.9440 122.5572 52.6999 45.8240 176.3301 20 L 4.2969 8.5293 121.0228 53.2358 42.4498 175.0596 21 P 4.3907 0.0000 0.0000 64.5961 31.4800 177.1776 22 G 4.0440 8.9912 111.3274 45.4819 0.0000 173.5635 23 E 4.5891 7.8112 118.6920 56.5429 30.2696 176.7311 24 V 3.6642 8.2877 114.7346 59.2856 36.5116 174.7879 25 F 4.7730 6.7532 119.8497 56.8542 40.8198 174.8016 26 A 4.9164 8.5623 122.0346 50.4617 23.1921 174.6867 27 I 4.8797 8.7190 119.6671 59.3397 41.1492 174.0893 28 C 5.1709 9.0537 128.2341 58.3177 35.3553 173.1801 29 G 2.6232 8.3319 112.0713 45.2004 0.0000 173.7231 30 S 4.6263 7.9278 118.9286 58.4211 63.8154 173.4076 31 C 4.8056 7.3700 114.8717 56.6276 33.2407 174.2993 32 D 4.4405 8.9087 118.5455 57.6438 40.3249 179.5000 33 A 4.0231 7.9802 119.6384 54.5133 18.6170 177.8538 34 L 4.2195 7.7952 113.8516 54.5054 42.4113 177.8801 35 G 3.8743 7.8026 107.7994 44.5113 0.0000 173.4229 36 N 4.2464 8.4996 114.9296 54.2733 36.5337 174.6343 37 W 3.8421 7.9051 112.0152 57.5235 27.8921 174.2767 38 N 4.9144 8.0640 118.3371 51.2479 38.7063 173.5728 39 P 4.5984 0.0000 0.0000 65.7955 31.6242 178.9526 40 Q 3.9719 8.1847 116.1682 58.2566 28.6542 177.0036 41 N 4.8897 8.3365 113.4162 52.7679 38.9046 174.5910 42 A 4.4611 7.8419 120.6705 52.0873 19.7765 177.8081 43 V 4.3232 8.7442 119.7777 61.1069 33.1871 175.0458 44 A 4.2007 8.3839 130.4768 51.6537 18.7140 177.0578 45 L 4.4957 8.8678 123.0032 54.6501 43.1246 176.3770 46 L 4.8569 8.9322 121.3901 52.0340 44.5694 174.2369 47 P 3.5703 0.0000 0.0000 62.4615 31.6758 175.2550 48 E 4.1921 8.7244 127.5327 54.8441 30.3165 175.6321 49 N 4.3976 8.6552 125.3865 53.0856 38.4570 172.4962 50 D 4.5567 7.8130 121.4617 54.9804 44.8637 174.6365 *56 L 4.4215 7.3741 118.5541 54.7694 44.2658 175.2634 57 W 5.1872 9.1608 124.7855 54.8924 32.6493 174.5083 58 K 5.3391 9.4123 124.0197 54.9359 35.9103 174.6268 59 A 5.0109 9.0921 127.0049 50.5804 22.4728 174.7888 60 T 5.0723 8.6816 119.0057 62.0213 70.4589 174.2681 61 I 4.6735 8.9480 126.8722 59.3974 41.5708 174.7392 62 V 4.5213 8.4778 126.2473 62.3350 31.9815 174.8565 63 L 4.9748 8.8625 127.3713 52.8212 46.0956 175.7101 64 S 4.8857 8.4744 116.2769 57.7724 63.4898 175.0532 65 R 4.1259 8.9985 124.0989 57.4154 30.4037 178.0503 66 G 3.8654 8.9034 109.2588 45.3737 0.0000 173.3087 67 V 4.4073 6.9771 119.4740 60.7103 33.4258 175.1865 68 S 4.6436 8.8162 123.1835 58.4346 63.2157 173.4140 69 V 4.6546 8.9346 119.6261 59.7297 35.2999 174.5452 70 Q 5.3969 8.9243 123.1712 54.8658 31.7454 174.1692 71 Y 4.9709 8.7210 119.4383 56.4975 42.0518 173.2894 72 R 5.1027 9.4367 118.0879 55.0244 35.2083 174.0615 73 Y 5.5595 8.8067 118.2117 56.9534 40.7524 174.6921 74 F 5.8608 8.9643 116.3027 55.3809 42.1723 173.1685 75 K 4.7011 9.1001 119.5685 55.3280 35.2704 176.4559 76 G 3.8084 7.6704 108.3583 46.1967 0.0000 170.7331 77 Y 5.4441 8.1370 117.0512 56.4006 40.7805 175.2987 78 F 5.0158 9.1884 122.3696 56.0440 40.1548 175.2244 79 L 4.6092 9.0680 124.8208 53.2635 43.6249 176.5787 80 E 4.3079 8.6616 121.2034 55.4302 30.2139 175.2917 81 P 4.4947 0.0000 0.0000 62.3324 31.5091 177.4877 82 K 4.0981 8.7425 122.5272 58.6369 33.2253 176.9719 83 T 4.5670 7.2879 116.2579 61.6009 70.8757 174.2519 84 I 3.7912 8.3104 123.3014 61.6863 35.6890 175.0596 85 G 4.0065 9.0337 113.6018 44.5580 0.0000 173.5906 86 G 3.8569 7.8473 108.7714 44.6214 0.0000 170.9365 87 P 4.7301 0.0000 0.0000 61.6496 33.4523 175.0200 88 C 4.6525 8.5185 122.0426 59.1632 32.3435 172.3781 89 Q 4.5237 8.7290 127.6058 55.1889 30.4336 173.9769 90 V 4.5026 8.8029 126.7438 61.0718 33.5426 174.7232 91 I 4.3276 8.5473 128.8175 59.2623 39.5836 175.0338 92 V 3.5692 8.0785 127.9804 63.1984 31.3612 175.1551 93 H 4.5391 9.0965 124.9826 57.1708 30.6467 175.7733 94 K 4.5334 7.5220 118.3072 55.1615 35.3592 175.1154 95 W 5.0008 9.1052 127.8858 56.1932 30.0520 175.7700 96 E 3.1378 9.4189 124.9150 56.7901 29.5175 178.2436 97 T 4.2128 7.8494 123.6018 62.4296 66.8556 173.4869 98 H 4.5679 7.6329 119.8719 54.4450 31.8302 172.7464 99 L 4.0659 8.5143 127.6643 57.7672 41.7313 178.5115 100 Q 4.1410 7.6429 116.2240 54.6643 29.3760 174.1662 101 P 4.4434 0.0000 0.0000 62.7434 32.2040 176.6131 102 R 4.0633 8.4118 122.3365 56.4988 31.3474 175.7348 103 S 5.3433 8.2283 115.7257 57.1629 65.5150 173.0563 104 I 4.9113 9.1077 119.5664 59.5643 41.5856 174.3910 105 T 4.9822 8.3724 119.0602 61.0912 71.1262 172.1867 106 P 4.4077 0.0000 0.0000 62.6381 32.2588 177.1804 107 L 4.7641 8.6769 121.5828 54.3530 43.3090 175.4258 108 E 4.8130 7.6871 117.0474 54.2201 33.8818 175.4275 109 S 4.5150 8.5006 113.8888 61.0580 64.3874 173.9964 110 E 5.2006 7.9738 119.4375 54.6765 32.8418 174.8689 111 I 4.6955 8.7941 117.5483 59.0644 41.7349 174.2214 112 I 4.7027 8.2644 123.8165 59.7915 39.3140 175.3059 113 I 4.0967 8.8693 129.6119 60.0289 38.1596 174.8001 114 D 4.9337 8.5852 128.4907 52.9008 41.1416 175.1731 115 D 4.7235 9.2512 125.7319 53.4487 41.8173 178.2323 116 G 3.9262 8.8718 113.2769 46.5518 0.0000 176.7022 117 Q 4.9746 8.7349 119.7597 53.5329 31.0440 175.1041 118 F 4.1528 9.4113 125.9875 61.1782 39.6228 176.1705 119 G 3.8569 7.8114 107.0322 45.8206 0.0000 170.4578 120 I 2.9632 8.3859 123.2224 62.8389 33.0900 174.0783 *121 H 4.4378 8.4186 119.5535 54.7277 27.6732 173.9242 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 1 G 8.34 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 0.00 0.00 0.00 2 S 8.05 4.43 0.00 4.07 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 S 8.61 5.83 0.00 3.99 3.98 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 *5 S 7.81 4.50 0.00 3.85 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 6 S 7.91 4.80 0.00 3.86 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 7 G 7.83 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.07 0.00 2.09 2.06 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 9 S 8.90 4.74 0.00 3.89 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 10 Q 9.34 4.48 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 11 V 8.83 4.43 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.89 0.00 0.00 12 A 8.81 5.00 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 13 F 9.29 4.93 0.00 2.98 3.12 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 0.00 0.00 0.00 0.00 14 E 9.56 5.40 0.00 1.98 1.81 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 2.25 2.25 0.00 15 I 8.60 4.84 0.91 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.04 0.04 0.00 0.00 16 R 9.08 5.02 0.00 1.96 1.83 0.00 3.31 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 17 G 8.36 4.63 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 0.00 0.00 0.00 18 T 8.50 4.53 4.28 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 1.28 0.00 0.00 19 L 7.94 4.59 0.00 1.42 1.24 -0.40 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.53 4.30 0.00 1.74 1.57 0.84 1.08 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 21 P 0.00 4.39 0.00 2.06 2.03 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 22 G 8.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.81 4.59 0.00 1.94 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 24 V 8.29 3.66 1.91 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 0.82 0.00 0.00 0.81 0.00 0.00 25 F 6.75 4.77 0.00 2.48 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 26 A 8.56 4.92 0.60 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 27 I 8.72 4.88 1.68 0.00 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.18 0.75 0.00 0.00 28 C 9.05 5.17 0.00 3.49 3.33 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 29 G 8.33 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 0.00 0.00 0.00 30 S 7.93 4.63 0.00 3.97 4.09 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 31 C 7.37 4.81 0.00 3.03 2.99 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 0.00 0.00 0.00 32 D 8.91 4.44 0.00 2.72 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 33 A 7.98 4.02 1.27 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 0.00 0.00 34 L 7.80 4.22 0.00 1.58 1.51 0.71 0.59 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 35 G 7.80 3.87 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 0.00 0.00 0.00 36 N 8.50 4.25 0.00 2.89 2.93 0.00 0.00 6.92 6.99 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 37 W 7.91 3.84 0.00 3.47 3.20 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 0.00 0.00 0.00 0.00 38 N 8.06 4.91 0.00 2.81 2.91 0.00 0.00 7.21 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 39 P 0.00 4.60 0.00 2.06 1.56 0.00 3.76 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 40 Q 8.18 3.97 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.19 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 41 N 8.34 4.89 0.00 2.79 2.84 0.00 0.00 6.97 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 42 A 7.84 4.46 1.70 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 43 V 8.74 4.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 44 A 8.38 4.20 0.37 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 45 L 8.87 4.50 0.00 1.89 1.99 1.07 1.07 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 46 L 8.93 4.86 0.00 1.47 1.43 0.89 0.99 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 47 P 0.00 3.57 0.00 1.43 0.49 0.00 3.44 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.34 0.00 48 E 8.72 4.19 0.00 1.84 1.81 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 2.25 2.27 0.00 49 N 8.66 4.40 0.00 2.68 2.68 0.00 0.00 6.88 8.06 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 50 D 7.81 4.56 0.00 2.54 2.47 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 *56 L 7.37 4.42 0.00 1.86 1.54 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.16 5.19 0.00 3.40 3.19 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 58 K 9.41 5.34 0.00 1.77 1.59 0.00 1.58 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.61 7.81 59 A 9.09 5.01 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 60 T 8.68 5.07 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 1.25 0.00 0.00 61 I 8.95 4.67 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.91 0.94 0.00 0.00 62 V 8.48 4.52 2.09 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 0.78 0.00 0.00 0.94 0.00 0.00 63 L 8.86 4.97 0.00 1.60 1.54 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.47 4.89 0.00 3.76 3.80 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 65 R 9.00 4.13 0.00 1.91 1.84 0.00 3.27 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 1.72 1.64 0.00 66 G 8.90 3.87 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 0.00 0.00 0.00 67 V 6.98 4.41 2.23 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 0.80 0.00 0.00 0.95 0.00 0.00 68 S 8.82 4.64 0.00 3.97 3.79 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 0.00 0.00 0.00 69 V 8.93 4.65 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 0.69 0.00 0.00 1.08 0.00 0.00 70 Q 8.92 5.40 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 71 Y 8.72 4.97 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.44 5.10 0.00 2.37 2.32 0.00 2.90 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 73 Y 8.81 5.56 0.00 3.22 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 74 F 8.96 5.86 0.00 2.71 2.45 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 0.00 0.00 0.00 0.00 75 K 9.10 4.70 0.00 1.25 1.22 0.00 1.09 0.00 0.00 1.35 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.27 7.81 76 G 7.67 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 0.00 0.00 0.00 77 Y 8.14 5.44 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.19 5.02 0.00 2.86 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 79 L 9.07 4.61 0.00 1.61 1.57 0.96 0.75 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 80 E 8.66 4.31 0.00 1.85 1.89 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 2.32 2.25 0.00 81 P 0.00 4.49 0.00 2.43 2.39 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 82 K 8.74 4.10 0.00 1.89 1.99 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.46 7.81 83 T 7.29 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 84 I 8.31 3.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.91 0.00 0.00 85 G 9.03 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 0.00 0.00 0.00 86 G 7.85 3.86 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 0.00 0.00 0.00 87 P 0.00 4.73 0.00 2.13 2.19 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 2.04 1.96 0.00 88 C 8.52 4.65 0.00 3.08 2.96 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 0.00 0.00 0.00 89 Q 8.73 4.52 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 90 V 8.80 4.50 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 0.41 0.00 0.00 0.16 0.00 0.00 91 I 8.55 4.33 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 1.16 1.01 0.77 0.00 0.00 92 V 8.08 3.57 1.66 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 -0.16 0.00 0.00 -0.33 0.00 0.00 93 H 9.10 4.54 0.00 3.00 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.52 4.53 0.00 1.90 1.83 0.00 1.86 0.00 0.00 2.11 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.60 7.81 95 W 9.11 5.00 0.00 3.31 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 96 E 9.42 3.14 0.00 1.99 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 2.00 1.47 0.00 97 T 7.85 4.21 4.26 0.00 0.00 0.00 0.00 0.00 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 98 H 7.63 4.57 0.00 2.97 3.16 0.00 5.93 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.51 4.07 0.00 1.59 1.64 0.87 0.95 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 0.00 100 Q 7.64 4.14 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 101 P 0.00 4.44 0.00 1.99 2.16 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 102 R 8.41 4.06 0.00 0.67 1.18 0.00 3.02 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.00 103 S 8.23 5.34 0.00 3.86 3.71 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 0.00 104 I 9.11 4.91 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 1.16 0.00 0.00 105 T 8.37 4.98 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 1.23 0.00 0.00 106 P 0.00 4.41 0.00 2.06 1.94 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 107 L 8.68 4.76 0.00 1.58 1.64 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.69 4.81 0.00 1.86 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 2.19 2.20 0.00 109 S 8.50 4.52 0.00 3.89 4.17 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 0.00 0.00 0.00 110 E 7.97 5.20 0.00 1.78 1.82 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 2.18 2.28 0.00 111 I 8.79 4.70 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.07 0.87 0.00 0.00 112 I 8.26 4.70 1.84 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 1.30 0.62 0.89 0.00 0.00 113 I 8.87 4.10 1.56 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.40 1.15 0.00 0.00 114 D 8.59 4.93 0.00 2.69 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 0.00 115 D 9.25 4.72 0.00 2.90 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 0.00 116 G 8.87 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 0.00 0.00 0.00 117 Q 8.73 4.97 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 118 F 9.41 4.15 0.00 2.32 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 0.00 119 G 7.81 3.86 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 0.00 0.00 0.00 120 I 8.39 2.96 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.92 0.00 0.00 *121 H 8.42 4.44 0.00 3.11 2.96 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.