NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6302 8.1700 119.5805 54.3700 43.5152 177.1942 3 K 3.5302 7.8829 119.1829 58.9827 32.1126 177.0583 4 L 3.8596 7.5376 119.0516 58.0375 41.5224 179.0555 5 T 3.9021 7.8511 109.1210 65.0661 68.5444 175.7127 6 H 4.2413 8.2313 120.9612 59.2945 29.9849 176.8367 7 Y 4.1529 8.2441 118.5107 61.0842 37.6840 178.8403 8 R 3.8398 8.4818 119.3187 59.5528 30.2348 178.4231 9 H 4.0910 8.2735 117.8091 59.6315 29.7461 177.2229 10 T 3.7612 8.0681 117.7166 66.7643 68.2750 176.7633 11 I 3.6299 7.6400 114.7408 63.8286 37.6465 178.2500 12 Q 3.8100 7.8826 120.0302 58.6463 28.6014 178.1449 13 E 3.8518 8.1901 120.4677 59.1189 29.6932 178.9767 14 I 3.7018 7.8982 120.0097 64.4306 37.2733 178.1558 15 I 3.8244 7.9517 119.6026 64.2779 37.7394 178.0745 16 K 3.9164 7.9868 119.1628 59.0382 31.7307 179.1486 17 K 3.7618 7.8991 119.7727 59.9504 32.0427 178.6145 18 Y 4.0852 7.8927 116.6566 60.7957 37.7471 177.9932 19 Y 2.3900 7.6850 120.6634 60.2734 38.6482 177.7040 20 D 4.2381 7.9920 118.6203 57.3170 41.0108 178.3387 21 L 4.0060 7.8176 119.8175 57.8439 42.0574 178.3668 22 S 4.7735 7.6325 112.4658 58.8488 62.9464 173.3039 23 N 4.7149 7.8399 118.3933 51.1969 38.4979 174.6635 24 S 4.6158 8.1305 121.4951 57.3243 62.9111 174.2113 *38 L 4.4300 7.6474 124.0433 55.0594 43.7569 178.3832 39 P 4.1728 0.0000 0.0000 65.3402 31.9768 177.1644 40 D 4.6826 8.1666 118.7807 56.6149 41.2658 176.4147 41 T 4.4636 7.1720 108.6861 61.0756 69.8726 174.7995 42 V 3.8718 8.4606 123.0577 63.3789 31.9087 175.3370 43 G 4.3768 8.9445 114.9300 44.4411 0.0000 170.7767 44 D 5.4725 8.7884 121.4637 53.9838 42.2573 176.1867 45 R 4.8851 9.7541 120.6064 54.4571 34.6621 173.7209 46 L 5.0065 8.4590 124.3458 53.4049 44.2796 175.8124 47 I 4.4530 9.2592 126.3706 59.7402 40.1023 173.6761 48 I 4.5880 8.2483 127.5468 59.4752 39.2395 175.2397 49 D 4.5450 8.7483 127.0369 52.2467 42.4932 175.8784 50 E 4.1147 8.7047 126.1339 59.2402 30.1141 179.7933 51 Q 4.0745 8.2494 116.6883 58.7205 28.7822 177.4604 52 R 4.2569 8.0650 113.5252 55.3282 31.3072 175.6669 53 D 4.3394 7.3436 115.7811 54.8119 38.9852 173.3132 54 Q 4.9008 7.5154 116.9775 54.2475 32.2491 175.8252 55 Y 5.1772 9.2848 121.3143 56.2447 41.6624 174.2576 56 L 5.2993 9.3772 126.4530 53.0036 46.4091 174.7647 57 W 5.6412 9.6578 135.0000 55.6619 33.6491 174.0008 58 L 5.3241 9.3509 126.6307 54.1083 44.3083 174.7496 59 C 5.4344 8.8444 113.9649 56.8080 32.7487 172.5731 60 C 4.9465 9.0323 121.0396 57.3328 35.1637 174.3135 61 G 4.0139 6.9774 111.1812 45.6416 0.0000 170.4568 62 W 5.1725 7.9722 120.2665 55.1071 32.2755 175.7264 63 D 4.8523 9.2151 124.2188 52.7007 40.9257 177.8764 64 G 4.0546 8.1297 117.9832 46.3975 0.0000 173.6780 65 K 4.2208 9.0416 124.5847 56.5186 32.7406 176.1274 66 K 4.2839 8.0790 122.1845 55.3673 32.5064 175.2999 67 R 3.4819 8.5727 127.6327 55.7409 30.8359 175.2822 68 V 4.1557 8.2304 127.2397 61.3321 33.7757 174.7407 69 Q 5.0339 8.3343 128.5643 55.4898 30.3515 171.2412 70 H 4.8897 9.1884 124.3094 53.7095 33.3077 171.9365 71 I 3.9789 8.2768 126.7863 61.6471 37.1726 175.4208 72 I 3.7395 8.4172 128.6029 62.5753 38.1550 176.2414 73 L 4.8663 7.4012 122.9181 53.6638 45.8375 173.8548 74 Y 5.6154 9.2331 126.8383 56.2429 42.1854 173.6469 75 L 5.5176 9.6738 126.6340 53.0510 46.0885 175.6184 76 Q 5.1657 8.9834 119.4062 54.7741 32.6640 173.6303 77 I 5.0132 8.4133 121.7584 59.8888 39.1491 175.3047 78 Q 4.3471 9.1911 128.3554 55.4305 31.7134 174.4642 79 N 4.5212 9.8319 123.3445 54.6338 36.0882 174.9207 80 G 4.0178 8.6270 101.9036 45.9730 0.0000 173.8307 81 K 5.0109 7.9137 117.4865 54.3281 36.7146 175.3710 82 I 4.6705 8.9580 124.5537 60.4356 38.7750 174.7944 83 W 4.8376 9.7251 128.2975 55.2164 31.3057 175.6992 84 I 4.4230 8.8228 127.8832 60.3276 36.4705 176.3006 85 E 4.3492 9.0746 128.5204 58.5500 30.9719 176.6811 86 E 4.6426 7.9534 119.2690 54.9559 33.3061 173.6826 87 D 4.8121 8.0605 125.1769 52.5979 44.2121 174.8258 88 S 4.4696 8.4980 118.9758 58.2974 63.9598 174.3504 89 T 4.1375 7.9157 111.1195 60.7462 69.1795 173.9778 90 N 4.2080 8.5807 118.9995 55.1448 37.3851 174.1296 91 L 3.7021 8.7626 113.3483 55.5897 40.4087 176.9365 92 A 4.0983 7.5883 123.8469 55.1892 17.9065 180.5631 93 I 3.8869 7.2251 110.6025 63.9298 37.5979 178.4238 94 V 3.5875 7.2830 119.1671 65.8945 31.5858 177.2457 95 D 4.6310 8.1429 118.1624 57.3430 40.7568 179.3148 96 E 4.3142 7.6981 114.9382 56.8981 29.1638 178.8489 *98 L 4.5450 7.9797 120.6486 54.9903 43.5616 179.5710 99 V 3.5778 7.9567 116.9385 65.5404 31.5204 176.2711 100 A 4.3683 7.9296 120.8251 51.8632 18.1819 177.3902 101 G 3.8925 7.8750 104.3135 47.1156 0.0000 173.9424 102 I 4.1902 7.5032 121.2031 58.8450 38.1266 174.0039 103 P 4.4977 0.0000 0.0000 62.2075 32.2509 177.3694 104 Q 4.2483 8.7640 119.0306 59.3500 28.8230 179.1474 105 T 3.9915 7.9596 106.6201 63.9306 69.2060 174.3818 106 D 4.9070 8.1933 121.3973 53.9751 42.4221 175.4663 107 I 4.7358 7.6397 120.8202 59.4211 40.0708 174.5267 108 I 4.4159 8.4075 127.9897 59.3800 40.1904 175.2328 109 L 4.2110 8.1670 127.5256 53.0815 40.3554 177.1562 110 G 4.1847 8.8659 111.1698 48.4575 0.0000 172.3510 111 F 4.6025 8.3494 113.9979 58.8872 38.3559 175.1069 112 H 4.6397 7.0276 119.1316 54.7261 29.5728 174.7104 113 H 4.2480 8.6921 122.6379 55.6807 30.1605 174.0356 114 P 4.2276 0.0000 0.0000 66.0718 30.9687 178.8287 115 S 4.2960 8.1275 110.1987 60.3168 63.3307 175.2307 116 K 4.2031 8.3254 123.4171 58.0247 31.9247 178.2952 117 R 4.0352 7.6761 117.8039 59.2119 29.7117 178.8524 118 G 3.4323 7.9561 105.9526 47.5907 0.0000 174.4789 119 L 3.9159 7.8378 121.9779 58.1199 42.1262 177.1582 120 T 4.0892 7.1179 113.8353 61.7722 68.1117 174.2945 121 E 4.0465 7.7763 117.1123 55.9755 29.6097 174.3801 122 F 5.0416 7.0133 117.4264 56.4951 41.0862 175.1789 123 A 4.1963 8.3456 124.7383 52.5222 18.7128 177.9081 124 I 3.9290 8.2392 121.0391 63.3257 38.0226 176.2102 125 A 4.1108 7.5308 125.9066 52.5541 18.8938 175.5925 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 D 8.17 4.63 0.00 2.67 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 3 K 7.88 3.53 0.00 1.78 1.56 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.68 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.41 1.18 7.81 4 L 7.54 3.86 0.00 1.64 1.70 0.96 0.51 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 5 T 7.85 3.90 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 1.22 0.00 0.00 6 H 8.23 4.24 0.00 3.34 3.69 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.24 4.15 0.00 3.15 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 8 R 8.48 3.84 0.00 2.06 2.22 0.00 3.21 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 9 H 8.27 4.09 0.00 3.26 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.07 3.76 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 1.11 0.00 0.00 11 I 7.64 3.63 1.71 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 -0.17 0.85 0.00 0.00 12 Q 7.88 3.81 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.10 0.00 13 E 8.19 3.85 0.00 1.97 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 2.23 2.26 0.00 14 I 7.90 3.70 2.00 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 1.46 0.90 1.10 0.00 0.00 15 I 7.95 3.82 2.03 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 1.02 0.00 0.00 16 K 7.99 3.92 0.00 1.86 1.78 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.48 7.81 17 K 7.90 3.76 0.00 1.83 1.80 0.00 1.47 0.00 0.00 1.62 0.00 0.00 2.63 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.83 1.23 7.81 18 Y 7.89 4.09 0.00 3.29 3.32 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 19 Y 7.68 2.39 0.00 2.38 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 20 D 7.99 4.24 0.00 2.72 2.67 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 21 L 7.82 4.01 0.00 1.67 1.89 0.89 0.82 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 22 S 7.63 4.77 0.00 4.30 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 23 N 7.84 4.71 0.00 2.71 2.70 0.00 0.00 6.79 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 24 S 8.13 4.62 0.00 3.92 4.02 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 0.00 0.00 0.00 *38 L 7.65 4.43 0.00 1.83 1.82 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.17 0.00 2.22 2.22 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 40 D 8.17 4.68 0.00 2.82 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 41 T 7.17 4.46 4.29 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 1.26 0.00 0.00 42 V 8.46 3.87 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 0.76 0.00 0.00 0.94 0.00 0.00 43 G 8.94 4.38 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 0.00 44 D 8.79 5.47 0.00 2.62 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 45 R 9.75 4.89 0.00 1.79 1.81 0.00 3.36 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 46 L 8.46 5.01 0.00 0.53 1.10 0.65 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 47 I 9.26 4.45 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 1.22 0.69 0.87 0.00 0.00 48 I 8.25 4.59 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.86 1.12 0.00 0.00 49 D 8.75 4.54 0.00 2.51 2.41 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 50 E 8.70 4.11 0.00 2.20 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 0.00 2.40 1.90 0.00 51 Q 8.25 4.07 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 52 R 8.06 4.26 0.00 1.84 1.91 0.00 3.46 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 53 D 7.34 4.34 0.00 2.95 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 54 Q 7.52 4.90 0.00 1.80 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 55 Y 9.28 5.18 0.00 3.07 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 56 L 9.38 5.30 0.00 1.61 1.40 0.27 0.57 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 57 W 9.66 5.64 0.00 3.38 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.35 5.32 0.00 1.90 1.66 0.95 0.33 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 59 C 8.84 5.43 0.00 2.99 3.23 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 60 C 9.03 4.95 0.00 2.92 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 61 G 6.98 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 62 W 7.97 5.17 0.00 3.34 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.22 4.85 0.00 2.71 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 64 G 8.13 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 65 K 9.04 4.22 0.00 1.81 1.93 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.42 7.81 66 K 8.08 4.28 0.00 1.89 1.92 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.38 7.81 67 R 8.57 3.48 0.00 1.30 1.58 0.00 2.43 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.30 0.00 68 V 8.23 4.16 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 0.80 0.00 0.00 0.92 0.00 0.00 69 Q 8.33 5.03 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.46 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 70 H 9.19 4.89 0.00 3.15 3.01 0.00 5.83 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.28 3.98 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.87 0.00 0.00 72 I 8.42 3.74 0.57 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.29 -0.49 0.00 0.00 73 L 7.40 4.87 0.00 1.73 1.77 1.00 1.08 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 74 Y 9.23 5.62 0.00 2.95 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 75 L 9.67 5.52 0.00 1.75 1.57 0.94 0.63 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 76 Q 8.98 5.17 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 1.95 2.26 0.00 77 I 8.41 5.01 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.92 1.10 0.00 0.00 78 Q 9.19 4.35 0.00 1.80 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.32 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 79 N 9.83 4.52 0.00 3.04 2.95 0.00 0.00 7.15 7.65 0.00 0.00 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 G 8.63 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.91 5.01 0.00 1.87 1.74 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.65 7.81 82 I 8.96 4.67 1.73 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 0.85 0.00 0.00 83 W 9.73 4.84 0.00 3.28 3.14 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 0.00 0.00 0.00 84 I 8.82 4.42 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.03 1.00 0.00 0.00 85 E 9.07 4.35 0.00 1.80 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 0.00 1.95 1.47 0.00 86 E 7.95 4.64 0.00 2.13 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 2.30 2.41 0.00 87 D 8.06 4.81 0.00 2.37 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 0.00 0.00 0.00 88 S 8.50 4.47 0.00 3.76 3.75 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 89 T 7.92 4.14 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 0.51 0.00 0.00 90 N 8.58 4.21 0.00 2.81 2.89 0.00 0.00 7.14 7.78 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 91 L 8.76 3.70 0.00 1.97 1.84 1.13 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.59 4.10 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 93 I 7.23 3.89 1.85 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 1.28 0.55 0.51 0.00 0.00 94 V 7.28 3.59 2.21 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 0.77 0.00 0.00 0.53 0.00 0.00 95 D 8.14 4.63 0.00 2.96 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 96 E 7.70 4.31 0.00 2.31 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 2.39 2.57 0.00 *98 L 7.98 4.55 0.00 1.89 1.79 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.96 3.58 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 0.75 0.00 0.00 0.98 0.00 0.00 100 A 7.93 4.37 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 0.00 101 G 7.87 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 0.00 0.00 0.00 102 I 7.50 4.19 1.69 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.97 0.39 0.00 0.00 103 P 0.00 4.50 0.00 2.26 2.22 0.00 3.81 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 2.24 2.07 0.00 104 Q 8.76 4.25 0.00 2.27 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.95 0.00 0.00 0.00 0.00 0.00 2.45 1.93 0.00 105 T 7.96 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 1.22 0.00 0.00 106 D 8.19 4.91 0.00 2.81 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 0.00 107 I 7.64 4.74 1.71 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.75 0.37 0.00 0.00 108 I 8.41 4.42 0.56 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.10 -0.20 0.00 0.00 109 L 8.17 4.21 0.00 1.18 0.50 0.86 0.55 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 0.00 110 G 8.87 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 0.00 0.00 0.00 0.00 111 F 8.35 4.60 0.00 3.15 3.42 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 0.00 112 H 7.03 4.64 0.00 3.13 3.08 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.69 4.25 0.00 3.18 3.17 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.23 0.00 2.11 2.11 0.00 3.07 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 115 S 8.13 4.30 0.00 4.05 4.08 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 0.00 116 K 8.33 4.20 0.00 1.80 1.99 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.63 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.21 1.38 7.81 117 R 7.68 4.04 0.00 1.98 1.90 0.00 3.16 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 118 G 7.96 3.43 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 0.00 119 L 7.84 3.92 0.00 1.73 1.67 0.88 0.73 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 0.00 120 T 7.12 4.09 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 1.39 0.00 0.00 121 E 7.78 4.05 0.00 2.03 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 2.21 1.89 0.00 122 F 7.01 5.04 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 0.00 123 A 8.35 4.20 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 0.00 124 I 8.24 3.93 1.83 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 0.57 0.88 0.00 0.00 125 A 7.53 4.11 1.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.