NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 R 4.2891 8.2501 119.7029 55.8149 32.3186 174.8097 43 A 4.4459 7.4303 118.9203 49.1209 21.8472 174.0861 44 Q 4.4433 8.3589 117.8509 54.5920 31.7328 172.5319 45 H 4.8643 8.9423 118.4089 53.3996 30.6878 173.2245 46 I 4.4511 8.2951 124.0163 59.7824 38.7475 174.9150 47 V 4.3384 8.1797 128.5781 60.4489 33.0949 173.2808 48 P 5.0476 0.0000 0.0000 62.5613 32.0597 175.2899 49 C 5.2266 9.2498 119.9998 58.4105 32.8168 173.7524 50 T 4.6286 9.4701 111.3361 60.4774 70.2607 176.0607 51 I 3.7244 9.3059 124.5517 64.6944 36.9478 179.0414 52 S 4.1141 8.2544 115.1118 61.4129 62.6791 176.5136 53 Q 3.9798 8.2155 121.6727 58.7258 28.2189 178.8219 54 L 3.9254 7.5307 118.3736 57.8165 41.7555 179.1873 55 L 4.1260 7.9311 118.0947 57.8822 41.6776 179.6213 56 S 4.2593 8.3539 112.8291 59.7505 63.2600 174.5882 57 A 4.4144 7.1880 125.4369 52.5111 18.5988 177.4836 58 T 4.5278 8.5600 112.5227 60.5082 71.7067 173.8032 59 L 4.7755 8.4364 123.8214 53.4124 44.4132 175.6236 60 V 4.1584 8.4060 126.8722 62.0668 33.8614 175.2839 61 D 4.5202 9.5883 128.2767 55.7641 38.0547 173.7509 62 E 3.5413 7.9907 111.9318 56.6702 27.7922 174.6417 63 V 4.2693 7.3607 119.9600 61.0379 34.0435 174.5564 64 F 5.3367 8.2688 128.2022 56.8972 40.4978 175.1380 65 R 5.1397 9.3532 119.3852 54.4906 33.2758 174.0851 66 I 4.4362 8.6831 122.6373 60.0177 39.3784 175.3326 67 G 3.8155 8.8149 117.7753 46.9746 0.0000 173.5075 68 N 4.6710 8.8468 121.7973 53.4055 39.0124 174.6230 69 V 4.3933 7.7533 119.7820 60.8185 33.4114 174.3060 70 E 5.1657 8.5444 124.1095 54.7502 31.3048 174.7575 71 I 4.5637 8.2647 112.7813 60.1766 42.0774 174.1803 72 S 4.6951 8.5482 111.5740 56.8629 59.9422 170.1656 73 Q 4.6975 9.6409 118.5389 55.6777 29.2523 174.7036 74 V 5.5249 9.4021 116.7848 59.0108 36.5115 174.2584 75 T 5.7770 8.4592 112.4835 59.5752 71.6790 172.7733 76 I 4.8175 8.1765 122.4693 59.4084 42.6153 173.5047 77 V 4.8005 8.0203 123.8816 61.4195 34.1530 174.6628 78 G 4.0676 8.5503 113.4882 46.0712 0.0000 170.9505 79 I 4.5235 7.9408 120.0336 58.7727 40.5670 175.5550 80 I 4.1195 8.3798 130.4449 61.7250 37.0820 176.7675 81 R 4.2225 9.0189 127.9346 58.4859 31.0499 176.5946 82 H 4.9867 7.9635 115.9403 54.8851 33.8852 172.5647 83 A 4.8974 7.9331 124.0337 50.7143 21.5725 174.9080 84 E 4.4232 9.1859 124.2441 54.9454 32.2152 175.4415 85 K 4.4269 8.4963 125.6656 55.2856 31.4441 176.4683 86 A 4.4069 8.3396 129.0821 49.8924 20.2625 176.3157 87 P 4.3983 0.0000 0.0000 65.2751 31.2977 177.9308 88 T 4.5602 7.0756 102.1770 61.3823 70.5646 172.6970 89 N 4.4652 7.3035 117.9214 52.2522 40.2742 172.4089 90 I 4.6012 8.0757 119.0445 59.6917 40.5119 175.1575 91 V 4.3279 8.0376 126.7737 61.5235 33.0437 174.0978 92 Y 5.1531 8.3301 126.4177 57.0110 40.1676 174.8605 93 K 5.0242 8.9490 122.5926 54.9779 34.4941 175.3656 94 I 4.8753 8.5043 125.9862 59.3657 40.6038 173.9869 95 D 5.0917 9.1024 127.4974 52.5471 43.4314 174.3517 96 D 5.2463 8.4538 125.6297 51.7889 42.0485 177.3171 97 M 4.3894 8.8328 119.2144 57.1638 32.0557 177.4337 98 T 4.0894 8.0704 108.8430 63.1616 69.5326 173.8454 99 A 4.3582 7.0626 121.5112 51.6743 22.2976 175.5353 100 A 4.1730 8.4258 119.0020 51.5613 19.0158 176.0556 101 P 4.5446 0.0000 0.0000 63.4332 32.2627 175.4769 102 M 4.6195 8.5398 122.2243 53.9238 34.8650 174.7704 103 D 5.0351 8.4975 124.2692 54.2964 42.8030 175.4880 104 V 4.8051 8.7009 122.2162 61.3117 34.7652 174.3134 105 R 4.6362 8.9178 128.1898 55.3966 31.6306 175.5902 106 Q 4.8809 8.5155 124.1059 54.0189 32.8829 173.6771 107 W 4.9697 9.0415 123.5383 54.9960 31.4801 175.8368 108 V 4.4297 8.3319 115.9648 59.5587 34.7798 174.6968 109 D 4.7437 8.5961 123.3030 52.8441 41.1916 176.3911 110 T 4.1706 8.5292 116.9064 63.1880 69.2877 174.4647 111 D 5.0487 7.6263 122.9480 53.1374 41.3944 175.6125 112 D 4.7520 7.6040 115.5212 53.0714 42.6003 175.3242 113 T 4.7337 8.1406 115.4793 62.6607 69.0522 174.0767 114 S 4.5258 7.6746 110.5521 58.4866 64.6408 175.4964 *118 T 4.1774 7.8482 113.5558 61.2710 68.5646 173.8226 119 V 3.6643 7.8516 119.9903 63.7953 31.7652 175.6434 120 V 3.6418 8.3125 127.5752 62.4896 31.7749 174.1320 121 P 4.5570 0.0000 0.0000 61.3822 32.0779 174.3843 122 P 4.3874 0.0000 0.0000 63.7739 31.7497 176.6078 123 E 4.0009 9.2053 121.6200 56.0074 29.3712 174.3144 124 T 4.5679 7.3171 114.0471 62.8042 70.8771 173.3966 125 Y 4.5845 8.4665 123.4521 57.6991 39.7496 174.6580 126 V 4.7270 8.7788 122.5433 61.2235 35.7524 173.6414 127 K 4.8548 9.1235 128.7159 55.3258 34.3466 175.2810 128 V 4.9407 8.8899 125.4569 61.0858 34.9836 173.7190 129 A 5.1950 8.8923 129.9792 50.5164 21.5851 175.6120 130 G 4.4553 8.9073 108.7678 46.7231 0.0000 171.3167 131 H 5.5456 9.5316 116.8843 53.9900 31.1543 174.7903 132 L 4.4205 8.3816 124.4165 55.1098 42.8652 175.9868 133 R 4.9012 8.8143 123.3332 55.0752 35.4188 174.2004 134 S 5.1854 7.8438 113.9116 58.2283 65.2087 173.3815 135 F 5.1251 8.5509 125.5408 57.2364 42.1414 175.1494 136 Q 3.2528 9.8304 123.1479 57.4990 26.0531 173.5459 137 N 4.1218 8.1841 109.2049 54.0277 38.3752 172.7533 138 K 4.4475 8.0437 118.5332 54.0253 32.8942 175.5620 139 K 4.7246 8.4836 126.4564 56.8182 32.9409 176.4040 140 S 4.6270 8.4248 116.4774 58.0175 66.8603 173.6799 141 L 5.1762 8.7879 120.3870 52.9799 44.8533 176.0386 142 V 4.6472 8.7821 122.4610 61.3731 33.2545 174.2444 143 A 5.0881 8.8675 130.5368 51.0917 19.7311 176.4893 144 F 4.8264 9.6453 119.8261 57.7725 41.5263 176.4306 145 K 4.7497 8.1047 116.3810 55.2827 36.2295 175.8436 146 I 4.8374 8.5066 122.5339 59.9832 39.4993 174.0331 147 M 4.4806 8.6388 127.3932 52.6511 33.4417 174.0209 148 P 4.6732 0.0000 0.0000 63.0516 32.2476 176.2039 149 L 4.3208 8.5890 124.8798 54.4387 41.4800 176.8911 150 E 4.1383 8.9988 123.8079 57.0295 30.4135 175.5959 151 D 4.7726 7.7450 118.0022 52.3778 42.0626 175.9859 152 M 4.2996 8.4423 126.5076 56.9183 32.3920 178.3798 153 N 4.5050 8.2728 116.9291 55.7509 38.5367 176.9491 154 E 4.0590 8.5050 120.7254 58.9023 29.3147 179.0642 155 F 4.2179 7.9943 120.5680 61.5509 39.3008 177.1059 156 T 3.2224 7.6481 114.8149 66.8957 68.1701 176.2909 157 T 3.8597 7.7674 117.2356 66.9799 68.4373 175.9364 158 H 4.2867 8.2541 121.4110 58.6829 29.6829 177.1254 159 I 3.5976 7.3380 121.5366 64.5104 36.9274 178.4335 160 L 3.9381 7.4515 118.2567 57.6487 41.2289 179.4364 161 E 3.9073 8.2389 118.7479 59.2520 29.3920 179.2268 162 V 3.7912 8.2173 118.6334 66.2547 31.4382 178.0287 163 I 3.6303 7.8825 119.2849 64.5387 37.0498 178.0405 164 N 4.2653 8.5938 117.9674 56.5848 38.7709 176.6320 165 A 3.9983 8.2865 122.4311 55.5456 18.4645 179.1640 166 H 4.3196 8.3982 114.2309 58.4210 28.6683 177.7731 167 M 4.0429 8.1555 120.6454 58.3709 31.9368 178.5476 168 V 3.6980 7.8773 118.1204 66.0939 31.7157 177.8324 169 L 3.9516 7.8285 118.5717 57.9766 41.2711 179.3249 170 S 4.0837 7.7810 111.8605 61.7399 62.3369 176.4236 171 K 4.1278 7.6888 118.9727 58.5443 31.8376 176.9499 172 A 4.1756 7.9229 126.7269 52.3054 18.3976 176.9763 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 42 R 8.25 4.29 0.00 1.81 2.05 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 43 A 7.43 4.45 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 44 Q 8.36 4.44 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.63 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 45 H 8.94 4.86 0.00 3.25 3.25 0.00 5.49 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.30 4.45 1.87 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 1.21 0.61 0.92 0.00 0.00 47 V 8.18 4.34 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 0.91 0.00 0.00 0.81 0.00 0.00 48 P 0.00 5.05 0.00 2.00 2.05 0.00 3.36 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.82 0.00 49 C 9.25 5.23 0.00 2.79 2.82 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 0.00 0.00 0.00 50 T 9.47 4.63 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 1.21 0.00 0.00 51 I 9.31 3.72 2.02 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 1.57 0.69 0.95 0.00 0.00 52 S 8.25 4.11 0.00 4.05 4.30 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 53 Q 8.22 3.98 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 54 L 7.53 3.93 0.00 1.80 1.62 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.93 4.13 0.00 1.75 1.73 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.35 4.26 0.00 4.00 4.11 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 57 A 7.19 4.41 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 58 T 8.56 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 1.25 0.00 0.00 59 L 8.44 4.78 0.00 1.49 1.55 -0.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.41 4.16 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 0.93 0.00 0.00 0.92 0.00 0.00 61 D 9.59 4.52 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 3.54 0.00 2.06 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 2.20 2.31 0.00 63 V 7.36 4.27 2.18 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 1.02 0.00 0.00 0.90 0.00 0.00 64 F 8.27 5.34 0.00 3.52 2.89 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 65 R 9.35 5.14 0.00 2.03 2.01 0.00 2.72 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 66 I 8.68 4.44 1.89 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 1.20 0.84 0.95 0.00 0.00 67 G 8.81 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.85 4.67 0.00 2.73 2.86 0.00 0.00 6.54 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 69 V 7.75 4.39 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 1.13 0.00 0.00 0.94 0.00 0.00 70 E 8.54 5.17 0.00 2.28 1.94 0.00 0.00 0.00 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 2.31 0.00 71 I 8.26 4.56 1.83 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 1.21 0.74 0.81 0.00 0.00 72 S 8.55 4.70 0.00 3.97 3.69 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 73 Q 9.64 4.70 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.50 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 74 V 9.40 5.52 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 0.94 0.00 0.00 0.99 0.00 0.00 75 T 8.46 5.78 4.33 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 1.26 0.00 0.00 76 I 8.18 4.82 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.62 0.92 0.00 0.00 77 V 8.02 4.80 2.14 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 1.14 0.00 0.00 0.74 0.00 0.00 78 G 8.55 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 0.00 0.00 0.00 79 I 7.94 4.52 0.69 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.53 0.61 0.00 0.00 80 I 8.38 4.12 1.69 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.09 0.86 0.00 0.00 81 R 9.02 4.22 0.00 1.64 1.96 0.00 3.27 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 82 H 7.96 4.99 0.00 3.13 3.08 0.00 5.63 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 83 A 7.93 4.90 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 84 E 9.19 4.42 0.00 1.98 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 2.15 2.24 0.00 85 K 8.50 4.43 0.00 1.61 1.70 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.35 7.81 86 A 8.34 4.41 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 87 P 0.00 4.40 0.00 2.03 2.12 0.00 3.57 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 88 T 7.08 4.56 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 1.23 0.00 0.00 89 N 7.30 4.47 0.00 1.90 1.62 0.00 0.00 6.05 7.84 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 90 I 8.08 4.60 1.42 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.60 0.01 0.00 0.00 91 V 8.04 4.33 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 0.84 0.00 0.00 0.77 0.00 0.00 92 Y 8.33 5.15 0.00 3.09 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.95 5.02 0.00 1.73 1.73 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.43 7.81 94 I 8.50 4.88 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 0.99 0.78 0.85 0.00 0.00 95 D 9.10 5.09 0.00 2.68 2.40 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 96 D 8.45 5.25 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 97 M 8.83 4.39 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 98 T 8.07 4.09 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 1.29 0.00 0.00 99 A 7.06 4.36 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 0.00 100 A 8.43 4.17 1.24 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 0.00 0.00 0.00 101 P 0.00 4.54 0.00 1.93 1.99 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 102 M 8.54 4.62 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 103 D 8.50 5.04 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.70 4.81 2.18 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 1.05 0.00 0.00 0.95 0.00 0.00 105 R 8.92 4.64 0.00 1.57 0.99 0.00 3.11 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 106 Q 8.52 4.88 0.00 2.18 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 W 9.04 4.97 0.00 3.24 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.33 4.43 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 0.74 0.00 0.00 0.91 0.00 0.00 109 D 8.60 4.74 0.00 2.65 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 0.00 110 T 8.53 4.17 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 1.21 0.00 0.00 111 D 7.63 5.05 0.00 2.67 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 0.00 112 D 7.60 4.75 0.00 2.73 2.60 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 0.00 113 T 8.14 4.73 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 1.23 0.00 0.00 114 S 7.67 4.53 0.00 3.93 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 *118 T 7.85 4.18 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 1.23 0.00 0.00 119 V 7.85 3.66 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 0.94 0.00 0.00 0.91 0.00 0.00 120 V 8.31 3.64 1.77 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 0.68 0.00 0.00 0.88 0.00 0.00 121 P 0.00 4.56 0.00 2.06 1.95 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 122 P 0.00 4.39 0.00 2.02 2.12 0.00 3.65 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 2.01 2.06 0.00 123 E 9.21 4.00 0.00 1.92 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 2.15 2.25 0.00 124 T 7.32 4.57 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 1.18 0.00 0.00 125 Y 8.47 4.58 0.00 2.90 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 0.00 126 V 8.78 4.73 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 0.81 0.00 0.00 0.81 0.00 0.00 127 K 9.12 4.85 0.00 1.87 1.66 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.52 7.81 128 V 8.89 4.94 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 1.04 0.00 0.00 0.92 0.00 0.00 129 A 8.89 5.19 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 0.00 130 G 8.91 4.46 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 0.00 131 H 9.53 5.55 0.00 3.23 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.38 4.42 0.00 1.47 1.35 0.63 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.81 4.90 0.00 1.59 1.19 0.00 3.33 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 134 S 7.84 5.19 0.00 4.23 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 0.00 135 F 8.55 5.13 0.00 3.12 2.79 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 0.00 136 Q 9.83 3.25 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 137 N 8.18 4.12 0.00 2.85 2.89 0.00 0.00 7.06 6.68 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 0.00 138 K 8.04 4.45 0.00 1.83 1.80 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.39 7.81 139 K 8.48 4.72 0.00 1.63 1.61 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.36 7.81 140 S 8.42 4.63 0.00 4.00 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 0.00 141 L 8.79 5.18 0.00 1.59 1.62 0.93 0.76 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 0.00 142 V 8.78 4.65 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 1.07 0.00 0.00 1.07 0.00 0.00 143 A 8.87 5.09 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 0.00 144 F 9.65 4.83 0.00 2.93 3.16 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 0.00 145 K 8.10 4.75 0.00 1.83 1.92 0.00 1.50 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.54 7.81 146 I 8.51 4.84 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.79 0.00 0.00 147 M 8.64 4.48 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 148 P 0.00 4.67 0.00 1.93 1.99 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 149 L 8.59 4.32 0.00 1.57 1.64 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 150 E 9.00 4.14 0.00 1.96 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 2.28 2.23 0.00 151 D 7.75 4.77 0.00 2.64 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 0.00 152 M 8.44 4.30 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 153 N 8.27 4.51 0.00 2.94 2.86 0.00 0.00 6.92 8.80 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 0.00 154 E 8.50 4.06 0.00 2.16 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 2.35 2.33 0.00 155 F 7.99 4.22 0.00 2.99 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 0.00 156 T 7.65 3.22 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 1.06 0.00 0.00 157 T 7.77 3.86 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 1.22 0.00 0.00 158 H 8.25 4.29 0.00 3.33 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.34 3.60 1.84 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.41 0.82 0.00 0.00 160 L 7.45 3.94 0.00 1.83 1.67 0.87 0.86 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 0.00 161 E 8.24 3.91 0.00 2.09 1.94 0.00 0.00 0.00 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 2.29 0.00 162 V 8.22 3.79 2.18 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 0.97 0.00 0.00 0.86 0.00 0.00 163 I 7.88 3.63 1.96 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 1.38 0.60 0.89 0.00 0.00 164 N 8.59 4.27 0.00 2.70 2.80 0.00 0.00 7.18 7.52 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 0.00 165 A 8.29 4.00 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 0.00 166 H 8.40 4.32 0.00 3.18 3.36 0.00 5.63 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 0.00 167 M 8.16 4.04 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.56 0.00 168 V 7.88 3.70 2.24 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 1.03 0.00 0.00 1.00 0.00 0.00 169 L 7.83 3.95 0.00 1.73 1.71 0.80 0.81 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 0.00 170 S 7.78 4.08 0.00 4.01 4.15 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 0.00 0.00 0.00 0.00 171 K 7.69 4.13 0.00 1.89 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.60 7.81 172 A 7.92 4.18 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.