NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8864 8.3093 115.8900 57.0913 40.1134 175.9893 11 H 4.0164 6.8430 116.5538 56.5411 29.0997 173.8678 12 E 3.9505 8.1928 120.4677 58.3116 30.4618 178.0276 13 M 4.5520 7.7713 115.8329 55.2283 32.0516 176.6770 14 R 4.5443 7.5768 117.2140 55.2977 32.3754 175.6008 15 E 4.0596 7.9256 117.3583 54.9457 30.3572 174.6009 16 P 4.4577 0.0000 0.0000 63.0000 32.4107 175.1268 17 R 4.5419 8.2339 116.8108 55.0322 33.7009 173.8262 18 I 4.4016 8.2718 120.4864 60.6953 37.3302 175.6854 19 E 4.2968 9.0610 129.6250 58.3344 29.9601 176.6946 20 K 4.8245 7.7173 116.8878 55.6571 36.2158 174.3406 21 V 4.5332 8.5502 122.8070 61.3827 33.8241 174.7775 22 V 4.4288 8.5129 130.2968 61.7108 32.5661 174.8133 23 V 4.5415 8.3129 122.9980 60.2945 33.0777 175.0567 24 H 5.2919 9.3885 125.0496 54.7458 33.8707 172.1228 25 M 4.5572 8.5666 122.9940 53.6042 35.0450 175.0692 26 G 3.7320 8.3726 112.6495 45.1516 0.0000 172.5374 27 I 3.9347 8.2965 127.5620 61.1859 37.9527 176.1229 28 G 3.4085 7.2147 116.0236 46.0604 0.0000 174.4441 29 H 4.5679 7.4651 111.8004 56.7246 30.4744 174.2470 *35 A 4.2531 7.3422 122.3637 52.4629 20.2068 177.9223 36 N 4.5407 8.0699 114.9712 54.1673 38.7400 176.8288 37 A 4.2107 7.8499 121.9262 53.6279 18.1078 178.7314 38 E 3.7616 8.0327 117.7238 59.1107 28.7776 178.7221 39 D 4.4576 7.8620 119.1085 57.1202 41.0272 178.4265 40 I 4.0182 7.6949 112.3300 62.9131 37.8760 177.9081 41 L 4.2889 7.4005 120.6806 57.4414 41.4656 179.0919 42 G 3.6692 7.8321 103.7729 46.2902 0.0000 175.2117 43 E 4.3320 7.3796 116.8297 58.6063 30.0797 177.9026 44 I 4.0765 7.3561 116.5619 63.2472 38.2112 177.4468 45 T 4.2634 8.3859 110.1531 65.2760 69.3745 174.6674 46 G 3.5705 6.5997 113.5147 44.2205 0.0000 173.2993 47 Q 4.6161 7.3875 118.2596 53.8415 31.1661 174.4191 48 M 4.2479 8.2993 117.6049 54.8128 32.4464 174.5372 49 P 4.9603 0.0000 0.0000 61.7243 34.1488 174.8551 50 V 4.5532 8.2050 112.3233 59.3461 35.3795 176.1832 51 R 4.6430 8.6852 122.9327 56.7027 31.2875 175.9859 52 T 4.6072 8.5378 116.9640 62.0854 72.2037 174.3799 53 K 4.8465 8.7936 125.1593 54.6677 34.7751 175.2215 54 A 4.6153 8.0586 120.7097 51.3967 22.1220 175.8698 55 K 4.4835 8.2416 118.8973 55.2231 34.8386 172.4488 56 R 3.8787 8.4943 127.3317 55.7251 30.1591 176.5786 57 T 4.1462 8.5122 119.6394 63.4307 68.9348 174.0114 58 V 4.4211 8.1889 126.2764 60.8123 33.7275 176.4048 59 G 3.8823 8.6175 113.2211 46.7947 0.0000 173.3498 60 E 4.4214 7.9152 118.6116 56.4896 29.8863 175.5656 61 F 3.8286 8.1842 113.8113 60.9080 38.8908 174.3698 62 D 4.8906 7.5877 113.9223 52.5556 40.6819 176.0816 63 I 3.9026 7.1125 113.0627 61.9824 39.0489 176.6924 64 R 4.2316 7.5009 121.4974 55.0079 30.2242 175.0649 65 E 4.0900 8.4174 127.2793 58.4627 30.2450 176.7220 66 G 3.9962 7.5982 115.8042 44.0917 0.0000 171.6667 67 D 4.6087 7.7912 123.6475 51.0106 42.2696 173.7687 68 P 4.5037 0.0000 0.0000 63.4566 31.5828 175.7177 69 I 4.2891 9.0478 125.1189 62.4346 40.1579 175.4465 70 G 4.2574 7.5600 106.6529 46.0551 0.0000 171.3560 71 A 5.3485 8.1794 119.5513 50.8763 23.1572 176.1959 72 K 5.0545 8.9640 118.3700 55.4373 37.0391 175.5719 73 V 4.5323 8.6179 120.8577 61.6082 34.7174 173.8624 74 T 4.7484 8.5503 118.7955 60.3368 70.2746 173.8675 75 L 4.7400 8.7244 126.9715 52.9266 44.0632 175.8512 76 R 4.8915 8.1316 120.9243 55.1724 33.8244 177.0221 77 D 4.3382 9.1044 122.6423 55.7238 40.2988 175.9523 78 E 4.0668 9.2528 128.7079 60.5804 29.5871 177.6482 79 M 4.1271 8.1404 117.7313 57.7167 31.9855 178.4453 80 A 4.1166 7.8799 120.8142 54.9578 19.2956 179.2872 81 E 4.0504 7.9120 116.0836 59.5725 29.4004 179.2723 82 E 4.1482 8.3343 117.1274 58.2962 29.8473 178.5180 83 F 4.4852 7.6678 118.6601 60.7272 39.9004 177.5836 84 L 4.1747 8.0638 118.0213 57.4599 41.1355 179.3574 85 Q 4.0981 7.9382 117.3849 57.7391 28.7103 177.3089 86 T 4.3864 7.4654 107.2254 61.3887 69.4035 174.8420 87 A 4.3649 7.2958 123.5277 53.6240 20.4232 178.8585 88 L 3.7393 7.8294 117.4463 57.4132 41.8170 177.2545 89 P 4.4587 0.0000 0.0000 63.7997 31.3183 176.6519 90 L 4.3608 7.4053 117.1744 54.8617 42.1145 176.2828 91 A 4.5800 7.4317 120.4888 50.3107 22.1341 175.7032 92 E 4.3536 8.4911 120.1717 54.5822 29.7341 176.1904 93 L 4.0829 8.3382 124.8325 54.2250 42.2146 176.9319 94 A 4.8222 8.3401 126.1594 50.6242 21.4872 176.4697 95 T 4.2054 8.3705 115.7276 66.3966 68.5402 176.9823 96 S 4.3850 8.0622 114.9472 60.4530 63.2963 175.2808 97 Q 4.4696 8.3044 119.0797 56.4417 28.5202 175.0234 98 F 4.8879 7.6794 115.9672 55.6327 41.4369 175.1689 99 D 4.7750 9.0006 123.8453 53.6462 41.9854 176.8843 100 D 4.6243 8.5269 120.4727 56.4823 41.1196 177.9795 101 T 4.2167 7.8236 114.5208 63.9205 68.9962 175.3943 102 G 4.2905 7.7967 109.0763 45.8904 0.0000 172.8607 103 N 5.4881 8.3944 115.0577 51.0156 42.7917 173.8024 104 F 5.2713 8.2374 113.4668 54.1404 41.7086 173.4569 105 S 5.1459 8.6849 114.6231 56.5678 65.2524 172.8138 106 F 4.9457 8.3313 120.7157 55.9465 41.3172 174.8936 107 G 4.0789 8.8246 104.9045 46.1693 0.0000 174.8000 *128 L 4.1144 8.1947 123.7406 55.1300 43.4012 175.4397 129 D 4.9118 8.9285 127.0531 53.1394 42.8706 175.8671 130 V 4.4860 8.1913 123.3019 61.4694 33.9050 173.9740 131 T 4.6754 8.4265 125.4475 61.6556 70.6276 174.0311 132 V 4.4194 7.8578 125.5694 61.0035 34.3265 173.7078 133 N 4.8446 9.2143 128.2794 52.5070 39.8889 173.4212 134 L 5.3563 8.2734 126.5013 53.2910 44.2993 176.1082 135 V 4.2118 7.8856 120.2517 61.0453 35.1909 172.8148 136 R 4.4386 8.2594 119.6788 54.6889 30.8294 176.3606 137 P 4.2211 0.0000 0.0000 65.0643 31.4906 177.0047 138 G 4.2342 7.8174 108.2243 45.3743 0.0000 174.8418 139 Y 4.1434 8.0853 121.6442 59.5373 39.0580 175.7433 140 R 3.8540 8.1126 119.4452 59.4798 29.9910 178.1832 141 V 3.5659 7.4961 117.4626 65.0027 31.2174 176.7355 142 A 4.6606 7.5017 119.0607 50.9831 19.6797 177.0100 143 K 4.2316 7.4399 114.7450 55.8060 34.0125 176.5787 144 R 4.2727 7.6413 115.5637 55.3735 30.4410 176.5416 145 D 4.4388 8.3676 117.9638 56.7618 40.1254 177.1831 146 K 4.0796 7.8399 117.9640 57.4074 33.5626 176.6437 147 A 3.9749 8.7253 124.0562 52.9136 16.2248 177.2666 148 S 4.5506 7.2618 113.1919 60.3141 63.6918 173.5412 149 R 4.6937 8.8692 121.5206 54.7531 33.9839 173.7260 150 S 4.4543 8.5621 118.5367 57.4962 63.4653 173.9026 151 I 3.8505 8.3549 127.7068 60.6634 37.7059 174.4705 152 P 4.4679 0.0000 0.0000 62.5067 31.6198 177.2540 153 T 3.9236 8.6805 111.6705 65.4023 68.0639 176.6786 154 K 4.0793 8.0111 119.6931 58.7901 32.3242 177.7368 155 H 4.5307 7.8709 115.8297 55.7814 30.5026 175.3639 156 R 4.2119 6.9064 118.6595 55.9801 30.7372 176.1667 157 L 4.1060 8.2575 123.3811 55.1034 43.1644 176.5542 158 N 4.9728 8.2991 121.7169 51.2126 41.9529 174.6661 159 P 4.2944 0.0000 0.0000 65.7503 31.3144 179.0457 160 A 3.8813 7.8311 119.1796 55.2026 18.1729 179.2648 161 D 4.2993 7.9873 115.6597 56.8497 40.8602 178.4599 162 A 4.2398 7.8210 121.2993 55.0464 18.6196 179.5782 163 V 3.2436 7.4572 116.5807 66.1273 31.3647 177.9883 164 A 3.9608 7.6552 120.3085 55.1359 17.9530 179.4525 165 F 4.1801 7.7824 117.7643 61.6145 39.8385 177.2510 166 I 3.7306 7.7540 119.0373 64.1690 36.7908 177.8714 167 E 4.0891 8.0850 119.4093 58.7071 29.4493 177.7352 168 S 4.5800 7.2460 110.8911 57.8071 63.4644 174.7257 169 T 4.2133 7.0472 117.0799 63.1078 69.1886 172.7231 170 Y 3.6846 7.5976 122.6464 58.0205 35.7994 169.3766 171 D 4.5031 7.6965 116.8497 53.0469 41.9388 173.9015 172 V 4.5092 7.9722 118.4653 60.9658 34.9515 176.2453 173 E 4.5766 8.0983 127.1604 53.6059 28.1436 176.6131 174 V 3.5924 8.5573 117.4562 63.2040 32.5897 172.0602 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 10 F 8.31 4.89 0.00 3.21 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 11 H 6.84 4.02 0.00 3.08 2.64 0.00 5.46 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.19 3.95 0.00 1.61 1.84 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 2.21 2.20 0.00 13 M 7.77 4.55 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 14 R 7.58 4.54 0.00 1.88 1.87 0.00 3.27 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 15 E 7.93 4.06 0.00 2.11 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 2.46 2.27 0.00 16 P 0.00 4.46 0.00 0.70 1.62 0.00 3.37 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 1.84 1.89 0.00 17 R 8.23 4.54 0.00 1.84 1.90 0.00 2.76 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 18 I 8.27 4.40 1.97 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 1.44 0.85 0.98 0.00 0.00 19 E 9.06 4.30 0.00 1.96 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 2.37 2.36 0.00 20 K 7.72 4.82 0.00 1.79 1.83 0.00 1.48 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.40 7.81 21 V 8.55 4.53 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 1.04 0.00 0.00 0.97 0.00 0.00 22 V 8.51 4.43 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 0.82 0.00 0.00 0.86 0.00 0.00 23 V 8.31 4.54 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 -0.09 0.00 0.00 0.76 0.00 0.00 24 H 9.39 5.29 0.00 3.04 2.99 0.00 5.52 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 25 M 8.57 4.56 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 26 G 8.37 3.73 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 0.00 0.00 0.00 27 I 8.30 3.93 1.89 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 1.31 0.68 0.83 0.00 0.00 28 G 7.21 3.41 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 0.00 29 H 7.47 4.57 0.00 3.22 3.41 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.34 4.25 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 36 N 8.07 4.54 0.00 2.93 3.09 0.00 0.00 5.86 7.46 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 37 A 7.85 4.21 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 38 E 8.03 3.76 0.00 2.02 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 2.38 2.39 0.00 39 D 7.86 4.46 0.00 2.69 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 40 I 7.69 4.02 1.89 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 1.69 0.88 0.92 0.00 0.00 41 L 7.40 4.29 0.00 1.86 1.70 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.83 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 0.00 0.00 0.00 43 E 7.38 4.33 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 44 I 7.36 4.08 1.96 0.00 0.00 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 1.86 0.85 1.16 0.00 0.00 45 T 8.39 4.26 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 0.87 0.00 0.00 46 G 6.60 3.57 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 0.00 0.00 0.00 47 Q 7.39 4.62 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.94 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 48 M 8.30 4.25 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 49 P 0.00 4.96 0.00 2.04 2.02 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.13 0.00 50 V 8.21 4.55 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 0.79 0.00 0.00 0.97 0.00 0.00 51 R 8.69 4.64 0.00 1.68 1.86 0.00 3.31 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.54 4.61 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 1.19 0.00 0.00 53 K 8.79 4.85 0.00 1.62 1.76 0.00 1.78 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.26 7.81 54 A 8.06 4.62 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 55 K 8.24 4.48 0.00 1.72 1.71 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.41 7.81 56 R 8.49 3.88 0.00 1.96 1.96 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 57 T 8.51 4.15 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 1.18 0.00 0.00 58 V 8.19 4.42 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 0.98 0.00 0.00 0.96 0.00 0.00 59 G 8.62 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 60 E 7.92 4.42 0.00 2.14 2.07 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 2.26 2.32 0.00 61 F 8.18 3.83 0.00 3.12 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 62 D 7.59 4.89 0.00 2.66 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.11 3.90 1.76 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.45 0.83 0.00 0.00 64 R 7.50 4.23 0.00 1.66 1.98 0.00 3.17 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 65 E 8.42 4.09 0.00 2.01 1.83 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 2.35 2.41 0.00 66 G 7.60 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.79 4.61 0.00 2.77 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 68 P 0.00 4.50 0.00 2.06 2.06 0.00 3.63 0.00 0.00 3.65 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 69 I 9.05 4.29 1.99 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 1.15 0.79 0.90 0.00 0.00 70 G 7.56 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 0.00 0.00 0.00 0.00 71 A 8.18 5.35 1.18 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 72 K 8.96 5.05 0.00 1.76 1.86 0.00 1.21 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.33 7.81 73 V 8.62 4.53 1.90 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 0.94 0.00 0.00 0.85 0.00 0.00 74 T 8.55 4.75 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 1.16 0.00 0.00 75 L 8.72 4.74 0.00 1.56 1.53 0.42 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.13 4.89 0.00 1.63 1.79 0.00 3.35 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 77 D 9.10 4.34 0.00 2.86 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 0.00 0.00 0.00 78 E 9.25 4.07 0.00 2.03 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 2.43 2.42 0.00 79 M 8.14 4.13 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 80 A 7.88 4.12 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 81 E 7.91 4.05 0.00 2.13 2.07 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 2.42 2.43 0.00 82 E 8.33 4.15 0.00 2.07 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 2.37 2.44 0.00 83 F 7.67 4.49 0.00 3.33 3.26 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 84 L 8.06 4.17 0.00 1.88 1.83 1.10 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.94 4.10 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 86 T 7.47 4.39 4.12 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 1.14 0.00 0.00 87 A 7.30 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.83 3.74 0.00 1.81 1.67 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.46 0.00 1.99 2.05 0.00 3.59 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 90 L 7.41 4.36 0.00 1.81 1.72 0.93 0.56 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 91 A 7.43 4.58 0.95 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 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.49 4.35 0.00 1.95 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 2.22 2.29 0.00 93 L 8.34 4.08 0.00 1.60 1.62 0.75 0.61 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 94 A 8.34 4.82 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 95 T 8.37 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 1.16 0.00 0.00 96 S 8.06 4.39 0.00 4.06 4.16 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 97 Q 8.30 4.47 0.00 2.43 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 98 F 7.68 4.89 0.00 3.21 3.04 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 99 D 9.00 4.78 0.00 2.96 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 0.00 100 D 8.53 4.62 0.00 2.73 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 0.00 101 T 7.82 4.22 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 1.23 0.00 0.00 102 G 7.80 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 0.00 0.00 0.00 0.00 103 N 8.39 5.49 0.00 2.67 2.80 0.00 0.00 6.48 8.13 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 0.00 104 F 8.24 5.27 0.00 2.70 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.68 5.15 0.00 3.75 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 0.00 106 F 8.33 4.95 0.00 3.13 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 0.00 107 G 8.82 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 0.00 0.00 0.00 *128 L 8.19 4.11 0.00 1.82 1.66 0.95 1.24 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 0.00 129 D 8.93 4.91 0.00 2.70 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 0.00 130 V 8.19 4.49 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 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 131 T 8.43 4.68 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 1.07 0.00 0.00 132 V 7.86 4.42 1.11 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 0.96 0.00 0.00 0.59 0.00 0.00 133 N 9.21 4.84 0.00 2.71 2.71 0.00 0.00 6.62 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.27 5.36 0.00 1.78 1.56 1.33 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.89 4.21 1.53 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 0.20 0.00 0.00 0.52 0.00 0.00 136 R 8.26 4.44 0.00 1.75 1.74 0.00 3.19 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.50 0.00 137 P 0.00 4.22 0.00 2.04 2.16 0.00 3.60 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 2.00 2.09 0.00 138 G 7.82 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 0.00 0.00 0.00 0.00 139 Y 8.09 4.14 0.00 3.16 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 0.00 140 R 8.11 3.85 0.00 1.92 1.92 0.00 3.24 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 141 V 7.50 3.57 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 1.01 0.00 0.00 0.98 0.00 0.00 142 A 7.50 4.66 1.07 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 0.00 143 K 7.44 4.23 0.00 1.54 1.72 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.63 1.10 7.81 144 R 7.64 4.27 0.00 1.90 1.90 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 145 D 8.37 4.44 0.00 2.67 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 0.00 146 K 7.84 4.08 0.00 1.92 1.92 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.42 7.81 147 A 8.73 3.97 1.34 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 0.00 148 S 7.26 4.55 0.00 4.04 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 0.00 149 R 8.87 4.69 0.00 1.87 1.72 0.00 3.12 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 150 S 8.56 4.45 0.00 3.92 3.74 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 0.00 151 I 8.35 3.85 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 1.05 0.00 0.00 152 P 0.00 4.47 0.00 2.21 2.00 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.68 3.92 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 0.00 154 K 8.01 4.08 0.00 1.77 1.94 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.57 7.81 155 H 7.87 4.53 0.00 3.17 3.36 0.00 5.94 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 6.91 4.21 0.00 2.11 1.86 0.00 3.42 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 157 L 8.26 4.11 0.00 1.53 1.80 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.30 4.97 0.00 2.83 2.69 0.00 0.00 7.09 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.29 0.00 2.11 2.11 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 160 A 7.83 3.88 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 0.00 161 D 7.99 4.30 0.00 2.76 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 0.00 162 A 7.82 4.24 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.46 3.24 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 0.77 0.00 0.00 0.02 0.00 0.00 164 A 7.66 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 4.18 0.00 2.99 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 0.00 166 I 7.75 3.73 1.81 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 1.73 0.92 0.98 0.00 0.00 167 E 8.08 4.09 0.00 2.10 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 2.25 2.24 0.00 168 S 7.25 4.58 0.00 3.92 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 0.00 169 T 7.05 4.21 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 1.24 0.00 0.00 170 Y 7.60 3.68 0.00 3.07 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 0.00 171 D 7.70 4.50 0.00 2.68 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 0.00 172 V 7.97 4.51 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 0.84 0.00 0.00 0.90 0.00 0.00 173 E 8.10 4.58 0.00 2.02 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 2.23 2.23 0.00 174 V 8.56 3.59 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 0.73 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.