NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4059 8.3144 120.0784 56.2667 33.8096 174.5361 3 L 4.2247 8.6725 128.5575 52.1721 43.4578 173.4277 4 Q 4.3027 8.5597 129.0049 55.8555 30.1785 174.8440 5 V 3.7885 8.1883 128.0207 62.2256 31.9945 175.2210 6 L 4.7776 8.1037 127.6154 51.9533 45.0254 174.2015 7 P 4.6992 0.0000 0.0000 62.7760 31.8359 176.2345 8 L 4.0622 8.3638 127.3152 54.8854 42.7350 176.2953 9 S 4.5884 7.9536 118.7313 55.5312 66.3791 174.6279 10 Q 3.9580 8.7440 122.9193 59.4186 28.5979 178.5017 11 E 3.9357 8.1461 116.8806 59.3614 29.6802 178.3910 12 A 4.3123 7.7683 120.0114 53.8396 19.0576 178.4480 13 F 4.5791 8.0496 118.7381 59.4427 39.5328 177.5416 14 S 4.4803 8.4602 112.2868 60.5135 62.5368 175.5664 15 A 3.9935 7.7408 121.4247 53.4667 18.6124 177.1132 16 Y 4.4836 8.0918 113.0608 57.0904 40.4690 176.0847 17 G 3.6877 6.0745 105.8226 45.8533 0.0000 170.5996 18 D 5.1091 8.1971 119.9036 52.5312 45.2165 175.1876 19 V 4.2017 9.1182 122.5865 61.8894 32.7856 175.5340 20 I 4.3420 8.7122 130.2407 60.7626 37.7807 174.5798 21 E 5.0021 8.3897 123.9744 56.1120 32.0074 174.8848 22 T 3.8524 8.1358 108.1073 61.7182 70.4236 173.9610 23 Q 3.9152 7.9853 122.7540 57.5737 28.9018 175.6175 24 Q 3.6459 8.7855 122.7766 56.8946 26.5075 173.3612 25 R 4.6847 7.7975 116.0040 54.4226 31.8549 176.2688 26 D 4.6690 8.3922 121.2777 54.7557 42.0340 175.2095 27 F 4.8873 7.6789 115.3332 55.6349 41.3463 173.0569 28 F 4.9854 8.7856 118.2555 56.0475 41.3005 175.2018 29 H 4.8254 9.0108 120.7341 55.7165 28.9954 173.6519 30 I 4.1618 9.0428 124.6653 62.5656 39.4455 175.7804 *35 V 3.8860 7.3376 117.9230 62.8184 32.9823 173.1543 36 E 4.8742 8.8463 127.1347 54.7706 31.2172 175.5859 37 R 4.3402 8.9961 127.2282 55.3615 31.1949 175.0466 38 Y 4.8037 8.7292 126.1101 57.1370 37.2292 175.2664 39 H 4.4980 8.3347 121.6339 54.6977 30.0188 175.0649 40 D 4.4001 8.4423 117.3691 55.6611 38.1631 174.6551 41 L 4.1656 7.7253 118.0869 57.2131 42.6624 177.9688 42 A 4.6011 7.5790 118.4883 50.7381 21.8775 174.7252 43 L 4.5654 8.3973 122.8811 53.0891 43.7105 175.9241 44 V 3.9615 8.3278 126.2104 61.7681 32.3625 174.2682 45 E 4.6351 9.0179 128.4337 54.5652 32.0152 174.3051 46 I 4.9874 8.4153 127.5186 59.5367 39.7843 175.2507 47 L 4.5690 9.1179 126.8510 53.2019 43.8564 175.8352 48 E 3.7585 8.4883 117.6737 56.9220 27.1839 175.0030 49 Q 4.4204 7.5579 112.8369 56.0885 31.9220 172.4488 50 D 4.8597 8.9190 124.3606 54.0603 41.1179 175.6418 51 C 4.8160 7.6075 112.6098 57.0364 32.5617 172.9806 52 T 4.7180 8.2665 116.8385 61.8747 71.1323 173.4906 53 L 4.7833 8.7883 124.5630 53.1128 44.5852 175.3474 54 I 5.0377 8.3073 123.6518 59.7899 39.1872 174.9335 55 S 4.7882 9.0699 120.4686 57.0945 67.3908 172.5251 56 I 5.0200 8.2732 119.4727 59.6692 40.1473 174.9424 57 N 4.8988 9.2877 124.9867 51.5899 40.6146 174.1913 58 R 4.7967 8.7829 125.5899 55.4159 30.7833 175.0245 59 A 4.9314 9.1260 129.5087 50.2642 21.7515 175.9144 60 Q 4.7242 8.6393 120.2687 54.7343 30.4981 173.9125 61 P 4.9879 0.0000 0.0000 62.6688 32.3260 175.9814 62 A 4.2649 8.6055 123.4767 51.8590 19.4102 176.7367 63 N 4.5315 8.5174 118.7699 52.4179 39.6048 174.8043 64 L 4.6167 8.1572 126.0272 52.6985 43.1079 174.8087 65 P 4.3847 0.0000 0.0000 62.6628 32.1888 175.4413 66 L 4.3569 8.5815 124.7049 54.7930 43.4455 175.1770 67 T 5.1816 8.4756 122.3655 61.6838 71.6875 173.2182 68 I 4.6270 8.5921 119.5144 59.3066 41.0465 175.7545 69 H 5.2092 8.1374 115.9233 55.2673 30.8811 171.8822 70 E 5.1408 7.7658 114.2151 56.0717 31.9505 174.3372 71 L 5.2000 8.7347 120.2328 53.0102 46.3690 175.2892 72 E 5.6080 9.5143 118.7702 54.9200 33.3483 174.7764 73 R 4.5319 8.6402 115.6620 55.1121 33.5856 173.8393 74 H 4.8320 8.3522 117.5891 53.6358 30.1898 173.1954 75 P 4.3645 0.0000 0.0000 64.3162 31.6722 177.7298 76 L 4.3799 7.7889 116.4377 53.9969 42.0046 175.7955 77 G 4.3849 7.1438 106.1771 45.8969 0.0000 173.1777 78 T 4.5726 8.5138 111.7497 61.6003 70.3523 173.9665 79 Q 4.5314 8.8271 122.3244 54.8010 32.6186 172.9843 80 A 5.1785 8.7047 128.4766 50.1557 22.2340 175.1164 81 F 5.4021 9.2065 119.6118 55.8724 43.2190 174.0480 82 I 4.9096 8.9679 124.4682 58.8158 40.3289 174.8255 83 P 4.1777 0.0000 0.0000 61.7654 30.1755 176.8215 *85 K 3.9904 8.5108 115.5299 56.8266 33.3356 176.5535 86 G 4.2045 8.3802 103.6997 45.9001 0.0000 174.4360 87 E 4.2858 7.3273 117.0719 55.8503 30.7080 176.4800 88 V 4.3655 8.4641 122.9861 62.7197 32.8185 174.7648 89 F 5.2745 9.1415 121.0842 55.7313 42.1017 172.8508 90 V 4.7210 8.4063 118.0785 61.1682 33.8403 174.8716 91 V 4.7373 8.7088 119.2123 59.6083 36.3566 174.6216 92 V 4.8847 8.5138 121.8032 61.4392 34.7285 174.6600 93 V 5.2990 8.7658 119.7912 60.0959 36.4985 174.2148 94 A 5.1511 8.7948 121.2967 51.6339 23.2484 176.5139 95 L 5.0163 9.5242 121.5357 52.8186 45.1452 173.9918 96 G 4.3382 8.8271 106.0558 45.8196 0.0000 173.9223 97 D 4.4985 8.9137 126.7853 56.5887 41.1012 176.6387 98 D 4.7262 7.9862 116.5929 55.0193 42.3942 175.8925 99 K 4.6758 7.4505 115.9440 53.1736 36.0845 173.9319 100 P 3.9088 0.0000 0.0000 62.9297 31.4479 176.3007 101 D 4.5764 9.1477 124.0652 52.7669 40.3011 176.4841 102 L 4.0113 8.4178 127.9994 57.7574 41.7901 179.7210 103 S 4.3754 8.0675 112.7499 60.1355 62.7759 174.6776 104 T 4.5968 7.9207 109.6420 60.8787 69.2142 173.8675 105 L 4.4137 7.6699 125.9092 55.5436 42.4750 176.3202 106 R 4.5882 8.9023 123.8459 54.4733 35.2792 173.7582 107 A 4.9660 7.8331 122.1406 50.1676 22.3566 175.1281 108 F 5.4150 9.1288 119.2621 55.6386 44.0083 173.6337 109 I 4.7236 8.5862 121.8636 59.2460 40.6718 175.4697 110 T 4.4573 8.3426 120.5217 61.2551 69.9692 174.0220 111 N 4.6750 9.0014 116.9570 52.4790 37.8300 176.0191 112 G 4.0600 8.4308 108.7775 44.8068 0.0000 174.4323 113 E 4.7364 8.7486 117.7901 55.9291 30.6180 175.7558 114 Q 4.8823 8.2077 117.5420 54.1087 32.5791 174.5993 115 G 4.5324 9.0165 108.6632 44.6181 0.0000 171.7491 116 V 4.8985 8.8801 111.7394 59.3563 36.4388 174.9245 117 N 5.1807 9.0145 121.2074 51.9173 41.7146 172.9978 118 Y 4.6473 8.9204 125.8708 57.9881 39.1178 175.7799 119 H 4.7519 9.1501 121.4824 55.3850 30.3048 175.1403 120 R 4.0200 8.4738 120.5608 57.9689 30.0751 176.1550 121 N 4.0631 8.9358 121.2319 53.8059 38.3342 173.0569 122 V 4.2596 7.2103 116.9056 61.8564 32.7389 175.8817 123 W 4.7354 8.7795 128.0311 57.3744 30.3396 174.8864 124 H 5.8519 9.1498 118.0807 55.6282 31.7769 171.9623 125 H 4.8458 8.7619 119.0602 54.6202 30.7199 173.2078 126 P 4.3789 0.0000 0.0000 62.3233 31.8334 176.3704 127 L 3.8471 8.1679 121.7719 56.0879 40.8420 176.1639 128 F 5.0583 7.5459 114.0189 55.9872 40.9377 173.2172 129 A 4.9157 9.2105 122.8366 50.7810 21.6791 175.5702 130 W 4.9638 8.6532 128.5575 57.2131 32.1689 174.6463 131 Q 3.6885 8.7549 131.3322 56.2146 26.6826 173.6568 132 R 4.8743 7.3437 112.6973 53.5305 34.4457 175.3954 133 V 3.9681 8.4595 120.5014 62.8940 31.8732 175.5920 134 T 4.5256 8.8144 120.3534 61.6953 72.1715 172.4503 135 D 5.0867 8.3295 125.0377 53.1752 42.9870 175.1635 136 F 5.0835 9.0483 123.0233 55.2284 41.5559 174.8613 137 L 4.3884 9.1973 127.8562 55.4919 43.1176 175.6745 138 T 5.0103 9.4206 123.2276 61.7944 71.9269 173.2858 139 I 4.8846 8.1944 126.1524 60.2775 40.4733 173.9388 140 D 4.8686 8.3056 127.1625 52.9146 42.0989 175.9947 141 R 3.6976 8.7308 117.7029 57.9688 30.7877 176.1702 142 G 3.3905 7.8731 105.1192 45.6809 0.0000 171.2798 *145 D 4.3330 7.3989 117.2852 53.5840 41.2104 175.0535 146 N 4.1071 8.6688 113.0293 54.5230 35.7922 174.9346 147 C 4.8616 7.8287 116.6222 57.7913 34.4976 173.2640 148 D 4.7530 8.7345 127.1677 54.1344 42.0211 175.9212 149 V 5.0810 8.4210 121.2012 61.4391 34.4505 174.2870 150 E 4.9147 9.1997 126.6850 54.3488 33.4762 175.5230 151 S 4.9858 8.5664 117.3781 58.2037 64.3751 173.1191 152 I 4.6954 8.1467 113.9473 58.2726 40.7841 173.3160 153 P 4.2056 0.0000 0.0000 62.4221 31.7048 175.8250 154 E 4.0998 8.7633 122.5940 57.4326 30.0782 175.8773 155 Q 4.6602 9.0139 126.1198 54.1544 31.9519 174.6446 156 E 4.8310 8.4865 122.7739 54.3258 31.5921 175.2769 157 L 4.4748 8.4042 126.0227 54.9730 42.3779 176.7277 158 C 4.9086 8.7330 121.4849 58.2114 31.3125 173.7014 159 F 4.6683 8.7283 122.2375 55.6548 41.6253 175.4228 160 A 4.2465 8.8421 123.8933 53.3521 18.2774 177.6887 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 K 8.31 4.41 0.00 1.62 1.78 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 L 8.67 4.22 0.00 1.65 1.43 0.78 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.56 4.30 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 5 V 8.19 3.79 1.14 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 0.51 0.00 0.00 0.01 0.00 0.00 6 L 8.10 4.78 0.00 1.59 1.55 0.86 0.60 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 7 P 0.00 4.70 0.00 1.95 1.99 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 2.04 2.09 0.00 8 L 8.36 4.06 0.00 1.41 1.32 -0.14 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.95 4.59 0.00 3.94 3.84 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 10 Q 8.74 3.96 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 11 E 8.15 3.94 0.00 2.18 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 2.29 2.41 0.00 12 A 7.77 4.31 1.45 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 0.00 0.00 13 F 8.05 4.58 0.00 2.77 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 14 S 8.46 4.48 0.00 4.00 4.20 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 15 A 7.74 3.99 0.81 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 16 Y 8.09 4.48 0.00 2.08 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 17 G 6.07 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 0.00 0.00 0.00 18 D 8.20 5.11 0.00 2.61 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 19 V 9.12 4.20 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 0.56 0.00 0.00 0.66 0.00 0.00 20 I 8.71 4.34 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 1.28 0.49 0.91 0.00 0.00 21 E 8.39 5.00 0.00 1.83 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 2.13 2.22 0.00 22 T 8.14 3.85 2.85 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 0.58 0.00 0.00 23 Q 7.99 3.92 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 24 Q 8.79 3.65 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 25 R 7.80 4.68 0.00 2.17 1.97 0.00 3.35 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 26 D 8.39 4.67 0.00 2.45 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.68 4.89 0.00 2.23 1.71 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 28 F 8.79 4.99 0.00 2.99 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 29 H 9.01 4.83 0.00 3.16 3.34 0.00 5.85 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 30 I 9.04 4.16 2.02 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 1.56 0.94 0.94 0.00 0.00 *35 V 7.34 3.89 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 1.02 0.00 0.00 0.96 0.00 0.00 36 E 8.85 4.87 0.00 1.73 1.12 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 2.11 2.18 0.00 37 R 9.00 4.34 0.00 1.99 2.03 0.00 3.23 0.00 0.00 3.56 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 38 Y 8.73 4.80 0.00 2.90 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 39 H 8.33 4.50 0.00 3.34 3.42 0.00 5.70 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 40 D 8.44 4.40 0.00 2.77 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 41 L 7.73 4.17 0.00 1.65 1.73 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.58 4.60 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 43 L 8.40 4.57 0.00 1.59 1.58 0.93 0.92 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 44 V 8.33 3.96 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 0.82 0.00 0.00 0.93 0.00 0.00 45 E 9.02 4.64 0.00 2.05 1.76 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 2.17 2.23 0.00 46 I 8.42 4.99 1.86 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 1.33 1.05 0.90 0.00 0.00 47 L 9.12 4.57 0.00 1.45 1.57 0.96 0.93 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 48 E 8.49 3.76 0.00 2.06 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 2.22 2.26 0.00 49 Q 7.56 4.42 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.33 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 50 D 8.92 4.86 0.00 2.70 2.66 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 51 C 7.61 4.82 0.00 3.01 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 52 T 8.27 4.72 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 1.26 0.00 0.00 53 L 8.79 4.78 0.00 1.64 1.53 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.31 5.04 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 1.39 0.56 0.92 0.00 0.00 55 S 9.07 4.79 0.00 3.86 3.94 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 56 I 8.27 5.02 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.94 0.00 0.00 57 N 9.29 4.90 0.00 2.83 2.85 0.00 0.00 6.19 7.25 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 58 R 8.78 4.80 0.00 1.89 1.90 0.00 3.22 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 59 A 9.13 4.93 1.43 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 60 Q 8.64 4.72 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 61 P 0.00 4.99 0.00 2.03 2.05 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 62 A 8.61 4.26 1.17 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 63 N 8.52 4.53 0.00 2.65 2.72 0.00 0.00 7.02 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 64 L 8.16 4.62 0.00 1.61 1.57 0.59 1.29 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 65 P 0.00 4.38 0.00 2.21 2.10 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 66 L 8.58 4.36 0.00 1.86 1.67 0.51 0.52 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 67 T 8.48 5.18 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 1.33 0.00 0.00 68 I 8.59 4.63 1.82 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 1.35 0.84 0.61 0.00 0.00 69 H 8.14 5.21 0.00 3.20 3.47 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.77 5.14 0.00 2.05 1.92 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 2.02 2.24 0.00 71 L 8.73 5.20 0.00 1.55 1.74 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.51 5.61 0.00 1.88 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 2.16 1.83 0.00 73 R 8.64 4.53 0.00 1.20 0.94 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 74 H 8.35 4.83 0.00 3.25 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.36 0.00 1.99 2.04 0.00 3.67 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 76 L 7.79 4.38 0.00 1.69 1.67 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.14 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 78 T 8.51 4.57 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 1.34 0.00 0.00 79 Q 8.83 4.53 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 80 A 8.70 5.18 1.14 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 0.00 0.00 81 F 9.21 5.40 0.00 2.94 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 82 I 8.97 4.91 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 0.93 0.00 0.00 83 P 0.00 4.18 0.00 2.15 1.65 0.00 3.51 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 *85 K 8.51 3.99 0.00 2.18 1.85 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.34 7.81 86 G 8.38 4.20 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 0.00 87 E 7.33 4.29 0.00 1.86 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 0.00 2.27 2.27 0.00 88 V 8.46 4.37 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 0.77 0.00 0.00 1.04 0.00 0.00 89 F 9.14 5.27 0.00 3.28 3.24 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 90 V 8.41 4.72 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 1.05 0.00 0.00 0.65 0.00 0.00 91 V 8.71 4.74 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 0.62 0.00 0.00 1.01 0.00 0.00 92 V 8.51 4.88 2.20 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 1.06 0.00 0.00 1.01 0.00 0.00 93 V 8.77 5.30 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 1.09 0.00 0.00 0.30 0.00 0.00 94 A 8.79 5.15 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 95 L 9.52 5.02 0.00 1.67 1.71 0.75 0.85 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 96 G 8.83 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 97 D 8.91 4.50 0.00 2.72 2.78 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 98 D 7.99 4.73 0.00 2.66 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 99 K 7.45 4.68 0.00 1.74 1.46 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.43 7.81 100 P 0.00 3.91 0.00 1.62 1.49 0.00 3.13 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 1.13 0.44 0.00 101 D 9.15 4.58 0.00 2.70 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 0.00 102 L 8.42 4.01 0.00 1.71 1.69 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.07 4.38 0.00 3.87 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 0.00 104 T 7.92 4.60 4.47 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 1.32 0.00 0.00 105 L 7.67 4.41 0.00 1.66 1.70 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.90 4.59 0.00 1.37 0.97 0.00 3.41 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.73 0.00 107 A 7.83 4.97 0.94 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 0.00 0.00 108 F 9.13 5.42 0.00 2.79 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 0.00 109 I 8.59 4.72 1.74 0.00 0.00 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 1.10 1.29 0.92 0.00 0.00 110 T 8.34 4.46 4.14 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 0.36 0.00 0.00 111 N 9.00 4.67 0.00 2.81 2.89 0.00 0.00 7.21 6.45 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 0.00 112 G 8.43 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.75 4.74 0.00 1.82 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 2.20 2.35 0.00 114 Q 8.21 4.88 0.00 1.77 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 115 G 9.02 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.88 4.90 1.69 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 0.13 0.00 0.00 0.74 0.00 0.00 117 N 9.01 5.18 0.00 2.74 2.67 0.00 0.00 7.44 8.22 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 0.00 118 Y 8.92 4.65 0.00 2.94 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 0.00 119 H 9.15 4.75 0.00 3.21 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.47 4.02 0.00 1.77 1.82 0.00 3.51 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 121 N 8.94 4.06 0.00 2.95 2.79 0.00 0.00 6.68 7.33 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 0.00 122 V 7.21 4.26 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 1.06 0.00 0.00 1.02 0.00 0.00 123 W 8.78 4.74 0.00 3.55 3.08 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 0.00 124 H 9.15 5.85 0.00 2.83 2.92 0.00 5.53 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 0.00 125 H 8.76 4.85 0.00 3.29 3.48 0.00 5.94 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 0.00 126 P 0.00 4.38 0.00 2.05 1.99 0.00 3.07 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.22 0.00 127 L 8.17 3.85 0.00 1.06 0.84 0.89 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 128 F 7.55 5.06 0.00 3.08 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 0.00 129 A 9.21 4.92 1.50 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 0.00 0.00 130 W 8.65 4.96 0.00 3.48 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 0.00 131 Q 8.75 3.69 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.78 0.00 132 R 7.34 4.87 0.00 1.58 1.74 0.00 3.18 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 133 V 8.46 3.97 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 0.68 0.00 0.00 0.96 0.00 0.00 134 T 8.81 4.53 3.92 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 0.32 0.00 0.00 135 D 8.33 5.09 0.00 2.51 2.53 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 0.00 0.00 0.00 0.00 136 F 9.05 5.08 0.00 3.06 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 0.00 137 L 9.20 4.39 0.00 1.75 1.66 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 138 T 9.42 5.01 4.35 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 1.01 0.00 0.00 139 I 8.19 4.88 1.80 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 1.24 0.97 0.88 0.00 0.00 140 D 8.31 4.87 0.00 2.69 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 0.00 141 R 8.73 3.70 0.00 1.76 1.96 0.00 3.44 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 142 G 7.87 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *145 D 7.40 4.33 0.00 2.83 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 0.00 146 N 8.67 4.11 0.00 2.88 2.92 0.00 0.00 6.55 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 0.00 147 C 7.83 4.86 0.00 2.99 2.81 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 0.00 148 D 8.73 4.75 0.00 2.48 2.66 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 0.00 149 V 8.42 5.08 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 0.93 0.00 0.00 0.98 0.00 0.00 150 E 9.20 4.91 0.00 1.16 1.43 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 2.42 2.26 0.00 151 S 8.57 4.99 0.00 3.85 3.84 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 0.00 152 I 8.15 4.70 1.78 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 1.27 0.68 0.72 0.00 0.00 153 P 0.00 4.21 0.00 2.02 2.00 0.00 3.64 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 154 E 8.76 4.10 0.00 1.96 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 2.38 0.00 155 Q 9.01 4.66 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.53 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 156 E 8.49 4.83 0.00 1.88 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 2.29 2.29 0.00 157 L 8.40 4.47 0.00 1.68 1.43 0.92 0.92 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 0.00 158 C 8.73 4.91 0.00 2.74 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 0.00 159 F 8.73 4.67 0.00 3.08 3.09 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 0.00 160 A 8.84 4.25 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 * Residues marked with a * may have inaccurate shift predictions.