NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8391 8.3001 120.7080 55.1272 33.3150 174.2056 2 A 4.8653 8.7066 123.2595 49.5339 22.8978 170.6832 3 V 4.9687 8.7954 119.9238 60.1914 35.9597 174.7216 4 I 5.1185 9.2531 125.3452 57.9504 38.7703 172.0618 5 A 5.0670 8.9796 130.5690 50.1796 23.4815 175.6248 6 D 5.2839 8.7145 118.4312 52.8520 40.7416 173.0912 7 P 4.4246 0.0000 0.0000 68.3314 30.7161 180.2255 8 E 4.2490 8.2710 119.8398 62.0417 29.6535 181.9629 9 T 4.0972 7.8926 115.1831 65.6197 68.5764 177.9095 10 A 4.2260 8.2640 126.3013 55.7512 18.2849 180.1469 11 Q 4.0707 8.1724 119.3039 60.6408 28.1764 181.3219 12 G 3.8780 8.1068 109.9509 48.1055 0.0000 176.5394 *13 F 4.1452 8.5094 125.5787 62.3571 37.9830 180.6344 14 R 4.7818 8.0328 125.2787 61.4924 28.8952 181.4782 15 L 4.2599 7.6101 121.7173 58.9461 41.0257 180.4871 16 A 4.4597 7.6781 117.6251 52.7283 18.3006 178.3402 17 G 3.8088 8.3962 109.1324 45.7108 0.0000 174.3097 18 L 4.5120 8.0401 124.6076 54.0649 43.8754 182.0152 19 E 4.5301 8.4388 116.9706 56.4784 28.1990 174.6710 20 G 4.3684 8.1338 113.6162 45.8430 0.0000 171.0505 *21 Y 4.8272 8.7451 123.3577 55.2642 41.0879 173.3605 22 G 4.4290 8.7378 110.5129 44.2388 0.0000 172.7257 23 A 4.8319 9.3140 127.3131 50.9296 23.2695 177.1330 24 S 4.6938 8.4882 116.2625 57.5864 64.1927 176.3079 25 S 4.7161 8.0192 118.1499 58.8963 66.9773 178.2382 26 A 4.5354 8.6298 129.3258 56.1095 18.1793 180.6988 27 E 3.9567 8.2826 117.6822 61.8701 29.8716 181.5395 28 E 4.1594 8.2856 118.9341 61.1894 29.6763 180.8010 29 A 4.2447 8.5505 124.7366 55.8540 18.3903 180.4603 30 Q 4.1764 8.2526 121.5048 60.7035 28.0319 181.8319 31 S 4.4030 8.1991 122.0834 64.0837 62.2799 180.3088 32 L 4.2589 8.1954 128.9971 59.9021 40.6268 181.6642 33 L 4.2602 8.3868 126.3501 59.9960 40.7390 181.7424 34 E 4.2036 8.3576 121.7656 61.8089 29.6365 181.4831 35 T 4.1527 8.2524 118.7406 66.6130 68.5059 178.6225 36 L 4.2633 8.2867 128.0807 60.0178 40.6683 182.2708 37 V 3.9813 8.1446 122.2524 66.5708 31.6125 180.5523 38 E 4.4276 8.5730 120.9325 61.4248 29.6562 181.6926 39 R 4.3851 7.9137 120.3902 61.0056 29.6489 179.7095 40 G 4.1706 8.3043 108.3905 46.2234 0.0000 175.0025 41 G 3.8095 8.2263 108.6482 46.5325 0.0000 173.3472 *42 Y 4.4367 7.5783 118.2141 55.4645 38.5309 180.2046 43 A 4.6303 8.4449 126.6505 52.7204 20.8507 177.2518 44 L 4.8677 7.5059 117.7553 54.5089 45.6874 180.6776 45 V 4.8230 8.6753 121.3067 59.1799 35.5395 173.1371 46 A 5.0215 9.3105 131.6999 50.2891 20.8294 176.7542 47 V 4.8132 8.8983 124.5148 59.7370 35.7411 172.4460 48 D 4.8061 9.0789 128.8448 54.3118 40.2571 175.7860 49 E 3.9524 9.3352 119.6558 57.7709 30.0194 176.4041 50 A 4.0812 8.2003 122.0019 55.3822 18.6040 178.5760 51 L 4.4958 8.1768 117.1047 55.2075 42.2979 181.1401 52 L 5.0497 7.5099 118.2317 53.7210 41.2166 181.0872 53 P 4.5163 0.0000 0.0000 64.5569 31.7364 178.9808 54 D 4.7420 7.7094 117.1433 51.7260 40.7130 179.8063 55 P 4.7177 0.0000 0.0000 65.3014 31.3740 177.5036 56 E 4.3751 8.0381 118.7464 62.5534 30.2806 184.7359 57 R 4.1894 8.1202 121.2659 61.0989 28.9502 180.4871 58 A 4.2201 7.6482 121.4315 56.3142 18.6332 180.2581 59 V 3.7476 7.9000 120.5271 67.1828 31.4294 181.1942 60 E 4.1295 8.1773 120.8648 61.5583 29.8998 182.4339 61 R 4.3998 7.8498 123.1528 61.3134 29.5646 180.8351 62 L 4.4770 7.9684 124.4754 59.3275 41.1137 180.1786 63 M 4.7108 7.3333 116.0778 54.8195 34.9073 176.5561 64 R 4.5491 8.4361 113.0457 57.0571 29.7910 175.7057 65 G 3.7724 7.7229 110.3384 47.5328 0.0000 175.0685 66 R 4.2369 8.5819 115.4518 56.7932 28.4880 174.1473 67 D 4.5852 8.4638 119.9379 53.7534 40.2471 177.8074 68 L 4.5562 8.3650 127.3621 51.6898 42.4016 171.7190 69 P 4.4497 0.0000 0.0000 63.8010 31.1190 177.2789 70 V 3.8516 8.5977 126.1566 61.6018 33.0326 172.8275 71 L 5.1407 8.5764 126.4041 53.7326 44.1135 177.0518 72 L 4.6894 8.9327 129.6604 51.7830 43.7010 171.0102 73 P 4.9197 0.0000 0.0000 62.6772 31.5241 174.1074 74 I 4.7702 9.2294 124.3779 57.4628 39.6507 172.3066 75 A 4.3716 8.6550 126.9266 51.3769 19.3497 177.6719 76 G 3.8598 8.7687 110.3693 46.6773 0.0000 176.1985 77 L 4.7605 8.5776 122.7621 54.9114 39.5658 177.6739 78 K 4.2170 9.2599 125.3467 58.9095 31.0429 180.2632 79 E 4.2513 8.1089 112.6505 57.2276 29.8416 180.6659 80 A 4.2754 7.9792 121.2769 54.3594 19.4217 178.6652 *81 F 4.4531 7.9260 116.6254 58.8133 39.2625 183.8516 82 Q 4.4742 7.5502 116.3120 55.5132 28.5173 179.0982 83 G 4.3449 7.2982 116.9925 47.3341 0.0000 176.4473 *84 H 4.5204 9.1967 122.2829 56.4727 30.8766 175.2224 85 D 4.0504 8.3893 119.1858 57.2645 40.3314 181.6492 86 V 3.7882 11.1300 126.9442 66.3274 31.4965 180.3587 87 E 4.2947 8.3817 118.9030 60.9639 29.2477 180.9552 88 G 4.0052 8.0528 107.2108 47.5287 0.0000 175.8849 *89 Y 4.1072 8.0332 125.4268 62.9361 36.6903 181.8850 90 M 4.3928 8.6773 124.0451 60.1939 31.5749 182.1604 91 R 4.2165 7.9317 123.9163 62.1480 29.5245 181.4956 92 E 4.2706 8.5618 121.8112 61.5348 29.9007 181.6736 93 L 4.4133 8.1630 126.0241 59.7970 40.9818 182.3410 94 V 4.0098 8.0228 122.0165 66.4056 31.6659 182.1414 95 R 4.7356 8.1835 125.2665 61.3016 28.9915 181.3288 96 K 4.1512 8.2856 126.3365 61.5930 31.7114 180.6713 97 T 4.3545 7.9367 117.3565 65.6409 68.2829 178.6850 98 I 4.3005 7.7133 125.9824 62.0422 36.1864 174.5735 99 G 3.8012 8.1704 116.9895 47.4953 0.0000 173.6010 *100 F 5.1271 8.0784 135.0000 56.8068 40.3007 170.9598 101 D 4.7247 8.1798 130.2539 51.9527 37.8478 173.2073 102 I 3.9882 7.7460 124.7583 59.8324 36.5619 178.4746 103 K 4.3866 8.4000 128.2334 54.5232 29.5766 177.3430 104 L 4.3108 7.8268 124.2226 54.1104 40.9552 177.4505 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 M 8.30 4.84 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 2 A 8.71 4.87 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 3 V 8.80 4.97 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 0.72 0.00 0.00 0.93 0.00 0.00 4 I 9.25 5.12 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 1.16 0.68 0.91 0.00 0.00 5 A 8.98 5.07 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 6 D 8.71 5.28 0.00 2.62 2.56 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 0.00 0.00 0.00 7 P 0.00 4.42 0.00 2.07 2.10 0.00 3.70 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 2.03 1.67 0.00 8 E 8.27 4.25 0.00 1.97 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 2.31 1.95 0.00 9 T 7.89 4.10 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 10 A 8.26 4.23 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 11 Q 8.17 4.07 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 12 G 8.11 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 *13 F 8.51 4.15 0.00 2.29 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 0.00 0.00 0.00 14 R 8.03 4.78 0.00 1.83 1.98 0.00 3.22 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 15 L 7.61 4.26 0.00 1.69 1.61 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.68 4.46 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 17 G 8.40 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 18 L 8.04 4.51 0.00 1.34 1.56 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.44 4.53 0.00 1.65 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 2.26 1.88 0.00 20 G 8.13 4.37 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 0.00 *21 Y 8.75 4.83 0.00 1.98 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 0.00 0.00 0.00 0.00 22 G 8.74 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.31 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.49 4.69 0.00 3.59 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 25 S 8.02 4.72 0.00 3.68 3.68 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 26 A 8.63 4.54 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 27 E 8.28 3.96 0.00 1.99 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 2.32 1.95 0.00 28 E 8.29 4.16 0.00 1.96 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 1.97 0.00 29 A 8.55 4.24 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 30 Q 8.25 4.18 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 31 S 8.20 4.40 0.00 3.74 3.90 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 32 L 8.20 4.26 0.00 1.64 1.72 0.92 0.59 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 33 L 8.39 4.26 0.00 1.60 1.72 0.92 0.91 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 34 E 8.36 4.20 0.00 1.98 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 2.24 2.20 0.00 35 T 8.25 4.15 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 36 L 8.29 4.26 0.00 1.63 1.71 0.92 1.30 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 37 V 8.14 3.98 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 0.90 0.00 0.00 0.93 0.00 0.00 38 E 8.57 4.43 0.00 2.03 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 2.26 2.19 0.00 39 R 7.91 4.39 0.00 1.90 1.87 0.00 3.21 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 40 G 8.30 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 0.00 0.00 0.00 41 G 8.23 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 *42 Y 7.58 4.44 0.00 2.34 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 0.00 0.00 0.00 0.00 43 A 8.44 4.63 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 44 L 7.51 4.87 0.00 1.30 1.47 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.68 4.82 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 0.68 0.00 0.00 0.93 0.00 0.00 46 A 9.31 5.02 1.23 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 47 V 8.90 4.81 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 0.71 0.00 0.00 0.93 0.00 0.00 48 D 9.08 4.81 0.00 2.35 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 49 E 9.34 3.95 0.00 1.88 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 2.24 2.14 0.00 50 A 8.20 4.08 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 51 L 8.18 4.50 0.00 1.58 1.66 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.51 5.05 0.00 1.63 1.44 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.52 0.00 2.08 1.99 0.00 3.66 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 1.94 1.58 0.00 54 D 7.71 4.74 0.00 2.52 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.72 0.00 2.07 2.06 0.00 3.68 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 2.01 1.64 0.00 56 E 8.04 4.38 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 2.28 1.93 0.00 57 R 8.12 4.19 0.00 1.81 1.99 0.00 3.22 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.00 58 A 7.65 4.22 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 59 V 7.90 3.75 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 0.76 0.00 0.00 0.93 0.00 0.00 60 E 8.18 4.13 0.00 2.09 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 2.27 2.26 0.00 61 R 7.85 4.40 0.00 1.94 1.87 0.00 3.25 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 62 L 7.97 4.48 0.00 1.73 1.63 0.92 1.10 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 63 M 7.33 4.71 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.06 0.00 64 R 8.44 4.55 0.00 1.81 1.81 0.00 3.24 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 65 G 7.72 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 0.00 0.00 0.00 66 R 8.58 4.24 0.00 1.97 2.03 0.00 3.27 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.15 0.00 67 D 8.46 4.59 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.56 0.00 1.65 1.47 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.45 0.00 1.84 1.91 0.00 3.73 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 1.95 1.63 0.00 70 V 8.60 3.85 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 0.61 0.00 0.00 0.93 0.00 0.00 71 L 8.58 5.14 0.00 1.37 1.44 0.92 0.76 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 72 L 8.93 4.69 0.00 1.28 1.57 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.92 0.00 1.85 1.87 0.00 3.65 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 1.94 1.60 0.00 74 I 9.23 4.77 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 1.16 0.68 0.91 0.00 0.00 75 A 8.65 4.37 1.23 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 76 G 8.77 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 77 L 8.58 4.76 0.00 1.67 0.81 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 78 K 9.26 4.22 0.00 1.68 1.84 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.00 7.81 79 E 8.11 4.25 0.00 1.89 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 1.87 0.00 80 A 7.98 4.28 -0.20 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 0.00 0.00 *81 F 7.93 4.45 0.00 2.20 2.28 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 82 Q 7.55 4.47 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 83 G 7.30 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *84 H 9.20 4.52 0.00 2.80 2.96 0.00 7.20 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.39 4.05 0.00 2.68 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 86 V 11.13 3.79 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 0.71 0.00 0.00 0.93 0.00 0.00 87 E 8.38 4.29 0.00 1.96 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 2.33 1.98 0.00 88 G 8.05 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 *89 Y 8.03 4.11 0.00 2.35 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.68 4.39 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 91 R 7.93 4.22 0.00 1.80 1.98 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 92 E 8.56 4.27 0.00 1.96 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 2.24 2.19 0.00 93 L 8.16 4.41 0.00 1.66 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.02 4.01 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 0.71 0.00 0.00 0.93 0.00 0.00 95 R 8.18 4.74 0.00 1.81 1.98 0.00 3.25 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.38 0.00 96 K 8.29 4.15 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.36 7.81 97 T 7.94 4.35 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 98 I 7.71 4.30 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 1.45 1.10 0.91 0.00 0.00 99 G 8.17 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 0.00 0.00 0.00 *100 F 8.08 5.13 0.00 2.33 2.30 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 0.00 101 D 8.18 4.72 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.75 3.99 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 1.27 1.10 0.91 0.00 0.00 103 K 8.40 4.39 0.00 1.77 1.66 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.00 7.81 104 L 7.83 4.31 0.00 1.66 1.46 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.