NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 M 4.5082 8.3044 120.3307 55.4833 34.3373 176.3212 19 R 4.0828 8.0599 119.2264 57.4553 31.4976 175.0267 20 I 4.8082 8.5961 121.4480 59.2710 40.2749 174.5206 21 L 5.2304 8.6377 126.8869 53.2934 44.4318 175.0768 22 M 5.2677 9.0131 122.2544 53.9981 34.8196 174.8485 23 V 4.8029 9.5305 118.9673 59.1321 36.1588 175.0641 24 G 3.9572 8.2357 111.8710 45.7148 0.0000 172.7711 25 L 4.2564 7.8387 121.2508 54.2950 42.3664 176.6551 26 D 4.3430 8.5130 119.5711 56.5630 41.0483 177.2703 27 A 3.7674 8.8647 124.1017 52.3805 16.1996 178.6300 28 A 4.0173 7.6509 121.2697 55.7307 18.7167 178.5005 29 G 3.8672 8.3979 104.5262 45.8330 0.0000 176.0797 30 K 3.9161 8.4417 122.0781 59.5779 32.0316 179.2086 31 T 3.7595 7.7938 115.4257 66.7709 68.2857 176.5340 32 T 3.9844 7.9479 117.1764 66.9188 68.6187 176.4250 33 I 3.5527 7.7773 121.4113 64.3546 37.0766 178.5480 34 L 3.8641 7.8182 119.7921 57.9334 41.1440 179.2154 35 Y 4.3745 7.7627 115.8817 60.7497 37.7889 178.2566 36 K 4.1467 7.6028 118.9876 59.4639 32.2043 178.9102 37 L 4.1116 7.4363 117.7030 58.4788 42.0167 178.5718 38 K 4.2857 8.3058 118.3636 54.9997 35.3461 175.6177 *45 T 4.1666 7.9134 116.0642 64.1813 69.5886 173.2981 46 I 4.6406 8.0255 118.6461 57.8171 40.4218 173.4345 47 P 4.3914 0.0000 0.0000 63.1714 31.7579 175.8813 48 T 4.5967 8.1227 117.8145 61.4844 72.0236 173.7312 49 I 3.7638 8.3020 127.6822 60.6794 37.9918 176.2666 50 G 3.4800 8.2396 112.1615 44.4493 0.0000 172.8667 51 F 4.0684 8.0752 119.8142 57.3730 39.6307 175.6536 52 N 4.5692 8.3393 123.0754 52.0791 37.1791 173.1443 53 V 3.5761 7.8408 120.4506 62.3397 32.5404 174.7954 54 E 4.6867 8.6303 126.3227 54.8877 32.1212 174.7835 55 T 5.2799 8.3903 118.1935 61.0148 70.7988 172.8076 56 V 4.6549 8.8926 124.7040 60.5513 35.4525 172.9311 57 E 5.1332 8.8259 121.7186 55.3190 31.0848 174.9977 58 Y 4.5802 9.0924 125.7634 56.3647 40.9383 175.1334 59 K 3.8732 8.8679 129.4587 57.7176 30.3481 174.4258 60 N 4.3013 8.4902 110.1942 54.2211 37.6701 172.9010 61 I 4.6284 7.5810 115.9307 58.6284 40.6594 174.7930 62 S 4.8924 8.5780 119.9014 58.2312 64.6658 172.7724 63 F 5.2283 9.5914 122.9416 55.9674 41.7218 174.5228 64 T 5.1439 8.7702 119.6465 61.5609 72.4627 173.4476 65 V 4.1622 8.6386 126.7140 62.5616 32.3491 174.9394 66 W 4.2893 8.9385 135.0000 55.4151 31.9122 174.9433 67 D 4.4028 7.8914 128.0498 54.0532 39.2988 175.7465 68 V 4.5483 8.4147 119.6931 61.4236 31.7850 178.2557 69 G 3.6131 8.4205 110.6258 47.6336 0.0000 174.8432 70 G 3.9903 7.3587 108.4113 44.8153 0.0000 173.2932 71 Q 4.2956 8.3985 117.3956 55.4035 29.6667 177.0942 72 D 4.2794 8.6852 119.4059 57.6870 40.5044 179.3552 73 K 3.9839 8.0594 117.7598 58.5365 32.4687 178.0219 74 I 4.2054 7.2116 111.3399 60.9916 38.0258 177.6231 75 R 2.5100 7.3770 121.1802 58.5177 29.3758 176.7063 76 P 4.1720 0.0000 0.0000 65.6124 31.0017 178.3716 77 L 4.1562 7.5244 116.2550 57.1314 41.7965 179.0578 78 W 4.6491 8.3314 119.6477 59.0601 28.8867 178.3536 79 R 3.8373 7.6513 116.6039 59.8733 28.7571 178.6547 80 H 4.2014 8.0287 115.4787 58.1421 28.2874 176.8797 81 Y 4.0859 7.2460 118.6193 60.2815 37.8784 177.4596 82 F 4.8586 7.6799 118.4595 57.1790 39.1170 177.5582 83 Q 4.1414 7.8380 117.9815 58.8460 28.9523 177.2572 84 N 4.7285 8.0865 112.5573 53.2267 38.6706 174.1877 85 T 4.3670 7.9515 117.7064 63.2479 69.2134 175.0603 86 Q 4.5155 9.0778 125.3945 56.0286 31.3884 175.7301 87 G 4.4962 7.7716 104.9842 44.2466 0.0000 171.3465 88 L 5.1401 9.1066 124.2037 53.0387 45.1351 175.2250 89 I 4.6670 9.0191 128.5840 60.4138 38.8082 174.5612 90 F 5.0064 9.2186 130.4702 56.4423 41.2566 174.1350 91 V 4.8677 7.9486 127.4321 61.1415 32.9412 175.2447 92 V 4.4701 8.5085 126.9256 59.6608 34.9834 174.4899 93 D 4.7333 8.6904 123.2755 54.1840 41.2265 176.8377 94 S 4.2483 9.0706 123.8976 60.7660 63.0829 175.7853 95 N 4.5522 8.2719 117.3558 54.2558 38.9036 174.9326 96 D 4.7662 7.5652 117.9763 53.1174 39.6826 175.6209 97 R 4.1036 8.0801 123.7077 58.5971 30.6808 179.0846 98 E 4.0973 8.2818 116.2435 58.4490 29.9051 177.6500 99 R 4.6269 8.0389 116.3798 55.8089 30.7526 178.2849 100 V 3.7193 7.5453 121.0738 64.9878 31.2872 178.1359 101 N 4.3248 8.0789 116.7377 55.9587 38.4632 176.8489 102 E 4.0007 8.2032 120.2051 58.8749 29.6863 178.6265 103 A 4.1312 8.0144 121.1573 55.0781 18.4775 179.2012 104 R 3.6239 8.0785 117.4562 59.8911 30.0042 178.4052 105 E 3.9105 8.1626 117.9576 59.3133 29.4038 179.0643 106 E 3.9716 8.2223 119.2991 59.1566 29.7040 178.2962 107 L 3.5974 7.7458 120.5937 58.6587 41.9476 179.0663 108 M 3.9688 8.0582 118.3292 58.1300 31.5920 178.8764 109 R 3.9310 7.9344 117.6936 59.6805 30.7032 178.6652 110 M 4.2874 8.2431 118.3179 58.4365 31.7967 178.7323 111 L 4.1195 8.0853 117.3893 56.6621 41.8715 178.3461 112 A 4.3698 7.5702 119.1736 51.6197 19.2814 177.2158 113 E 4.1330 7.7452 118.9888 55.9778 30.5016 177.3698 114 D 4.4473 9.1728 124.2352 57.7936 40.9798 178.8656 115 E 4.1858 8.2681 115.6127 58.2779 30.0171 177.4129 116 L 4.5839 7.8145 118.5941 54.2963 42.0367 178.0780 117 R 3.8800 7.8019 121.6556 59.2764 29.8417 177.0725 118 D 4.7395 7.8619 113.2818 53.6416 41.5264 176.1644 119 A 4.2786 7.4291 121.8587 52.2041 19.0829 178.0250 120 V 3.9755 8.6313 122.4805 62.7636 33.1842 174.4546 121 L 5.2716 9.2739 129.8937 53.3250 44.3801 174.4191 122 L 5.0647 9.1073 129.0946 53.3587 44.5092 174.8354 123 V 4.7074 8.9179 127.1728 61.4724 33.6871 174.4094 124 F 5.3603 9.0570 127.5882 56.4853 40.2915 175.2236 125 A 4.8934 9.3122 128.4830 51.2456 17.8354 176.0523 126 N 5.1734 9.1671 120.8695 51.9800 41.9541 174.1113 127 K 4.3404 8.3252 116.4608 57.6495 28.9983 178.1602 128 Q 4.2195 8.0417 118.6609 57.8193 29.0114 177.7329 129 D 4.4581 7.9980 117.7388 55.6131 40.0745 176.4587 130 L 4.2101 7.8151 121.3991 53.4474 42.2302 175.8367 131 P 4.1887 0.0000 0.0000 65.5731 30.9530 176.5570 132 N 4.7785 7.9067 113.5094 52.6458 39.0768 173.9106 133 A 4.2152 7.7376 118.3875 51.8464 19.0507 178.3290 134 M 4.3508 8.6316 121.4518 55.6340 32.8807 176.4954 135 N 4.6981 8.7280 120.0984 51.9458 39.3651 175.7346 136 A 3.9635 8.7718 120.1716 55.2824 18.3457 179.6394 137 A 3.9166 7.9998 118.6167 55.3142 18.5402 179.2715 138 E 3.8725 8.6250 117.8396 59.5560 29.7057 179.0091 139 I 3.6813 7.8879 119.8096 64.6151 37.1397 178.4566 140 T 3.6412 8.0724 116.6633 66.6401 68.4008 176.2203 141 D 4.3358 7.8527 120.2552 57.5956 40.7209 179.2411 142 K 4.0631 7.9527 117.1142 58.6964 32.1734 178.5776 143 L 4.2547 8.1240 117.4714 54.0596 42.1567 177.0732 144 G 3.7659 7.7302 107.4468 46.3227 0.0000 176.2390 145 L 3.2568 7.4601 122.6929 57.3018 41.4666 179.4753 146 H 4.5491 7.6854 114.5293 58.1313 28.7675 176.4682 147 S 4.3254 7.6598 112.9752 60.0803 63.6328 175.2497 148 L 4.3750 7.2646 123.0733 53.8934 39.5297 176.8226 149 R 4.2039 7.8822 119.5901 58.6883 30.7869 177.4887 150 H 5.1211 8.0236 113.8104 55.4268 29.4161 174.1835 151 R 4.6108 7.9423 117.9862 54.3966 33.0311 173.8390 152 N 4.9471 8.8400 123.7589 52.7318 39.6110 173.4823 153 W 6.3000 8.3486 122.3148 54.2049 32.0491 173.7877 154 Y 4.3431 8.3369 120.0602 56.1193 41.6598 172.8775 155 I 4.9607 7.7485 125.4792 59.1829 40.7045 174.1583 156 Q 4.6679 9.0966 129.7185 53.8702 32.1685 174.0886 157 A 4.7296 8.7576 128.8324 52.4752 19.5987 176.1554 158 T 4.7345 9.0133 112.2643 60.0432 73.1207 172.8627 159 C 4.7064 8.8164 123.2019 57.5290 33.0859 174.4482 160 A 3.8255 8.8329 131.1717 55.0034 18.3885 178.9272 161 T 4.0135 7.8946 105.8137 64.5473 69.0535 175.7847 162 S 4.2541 7.9506 115.1709 58.4386 64.0450 175.1091 163 G 3.8797 8.4503 109.8828 44.7782 0.0000 173.0837 164 D 4.5171 7.6434 120.3862 55.8026 41.4683 177.3146 165 G 4.2198 8.9484 111.2821 46.9095 0.0000 175.5756 166 L 3.4945 7.4348 119.2697 58.1833 41.4652 179.2495 167 Y 4.2777 7.5835 115.7529 60.7387 37.6943 177.9873 168 E 4.2032 8.4366 119.5959 59.3774 29.7066 179.3665 169 G 3.9635 8.4087 105.7218 48.0746 0.0000 175.8273 170 L 4.3191 8.4687 121.7543 57.4078 41.5797 179.4703 171 D 4.4523 8.6004 119.3298 56.9529 40.8144 178.2771 172 W 3.9379 8.1120 128.8380 60.3811 30.4751 177.6192 173 L 3.6332 8.2764 120.0091 58.1229 41.2132 178.4348 174 S 4.0644 8.4424 113.5516 61.8830 62.0140 175.9825 175 N 4.2828 7.7779 117.7301 56.6594 38.7126 176.5919 176 Q 3.7731 7.2571 118.6879 58.5011 28.7040 178.2668 177 L 4.0709 7.3558 118.8310 55.3868 41.7341 177.2380 178 R 4.0796 6.9594 120.9899 56.4084 32.3493 173.8706 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 18 M 8.30 4.51 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 19 R 8.06 4.08 0.00 1.83 1.89 0.00 3.04 0.00 0.00 3.20 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 20 I 8.60 4.81 0.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.33 0.88 0.00 0.00 21 L 8.64 5.23 0.00 1.42 1.49 0.18 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 22 M 9.01 5.27 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 23 V 9.53 4.80 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 0.73 0.00 0.00 1.15 0.00 0.00 24 G 8.24 3.96 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 0.00 0.00 0.00 25 L 7.84 4.26 0.00 1.73 1.64 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.51 4.34 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 27 A 8.86 3.77 1.39 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 28 A 7.65 4.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.40 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 0.00 0.00 0.00 0.00 30 K 8.44 3.92 0.00 1.77 1.83 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.46 7.81 31 T 7.79 3.76 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 1.26 0.00 0.00 32 T 7.95 3.98 4.36 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 1.23 0.00 0.00 33 I 7.78 3.55 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.13 0.73 0.00 0.00 34 L 7.82 3.86 0.00 1.72 1.40 0.82 0.81 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 35 Y 7.76 4.37 0.00 3.14 2.95 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 36 K 7.60 4.15 0.00 1.70 1.76 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.60 7.81 37 L 7.44 4.11 0.00 1.55 1.41 0.15 0.02 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 38 K 8.31 4.29 0.00 1.81 1.86 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.48 1.36 7.81 *45 T 7.91 4.17 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 46 I 8.03 4.64 1.88 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 1.48 0.67 0.92 0.00 0.00 47 P 0.00 4.39 0.00 2.19 2.10 0.00 3.71 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 1.99 1.99 0.00 48 T 8.12 4.60 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 1.22 0.00 0.00 49 I 8.30 3.76 1.85 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 1.33 0.71 0.85 0.00 0.00 50 G 8.24 3.48 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 0.00 0.00 0.00 51 F 8.08 4.07 0.00 2.96 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 52 N 8.34 4.57 0.00 2.64 2.73 0.00 0.00 6.98 7.71 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 53 V 7.84 3.58 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 0.83 0.00 0.00 0.89 0.00 0.00 54 E 8.63 4.69 0.00 1.85 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 2.19 2.40 0.00 55 T 8.39 5.28 4.27 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 0.00 0.00 1.24 0.00 0.00 56 V 8.89 4.65 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 0.85 0.00 0.00 1.01 0.00 0.00 57 E 8.83 5.13 0.00 1.95 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 2.32 2.29 0.00 58 Y 9.09 4.58 0.00 2.91 2.88 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 59 K 8.87 3.87 0.00 1.38 1.80 0.00 1.92 0.00 0.00 1.59 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.20 7.81 60 N 8.49 4.30 0.00 2.85 2.86 0.00 0.00 7.02 7.94 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 61 I 7.58 4.63 2.15 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.81 0.65 0.00 0.00 62 S 8.58 4.89 0.00 3.95 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 63 F 9.59 5.23 0.00 2.96 3.03 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 0.00 0.00 0.00 64 T 8.77 5.14 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 1.34 0.00 0.00 65 V 8.64 4.16 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 0.69 0.00 0.00 0.91 0.00 0.00 66 W 8.94 4.29 0.00 3.28 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 67 D 7.89 4.40 0.00 2.49 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.41 4.55 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.07 0.00 0.00 69 G 8.42 3.61 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 0.00 0.00 0.00 70 G 7.36 3.99 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 0.00 0.00 0.00 71 Q 8.40 4.30 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 72 D 8.69 4.28 0.00 2.73 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 73 K 8.06 3.98 0.00 1.70 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 74 I 7.21 4.21 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.70 0.95 0.00 0.00 75 R 7.38 2.51 0.00 1.57 1.35 0.00 2.94 0.00 0.00 2.92 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 76 P 0.00 4.17 0.00 2.10 2.07 0.00 3.51 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 77 L 7.52 4.16 0.00 1.94 1.91 1.01 0.79 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 78 W 8.33 4.65 0.00 3.29 2.46 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 79 R 7.65 3.84 0.00 2.03 2.22 0.00 2.78 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 80 H 8.03 4.20 0.00 3.24 3.48 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.25 4.09 0.00 2.57 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 82 F 7.68 4.86 0.00 3.06 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 83 Q 7.84 4.14 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.99 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 84 N 8.09 4.73 0.00 2.77 2.82 0.00 0.00 7.15 7.05 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 85 T 7.95 4.37 4.31 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 1.07 0.00 0.00 86 Q 9.08 4.52 0.00 1.89 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 87 G 7.77 4.50 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 0.00 88 L 9.11 5.14 0.00 1.61 1.50 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 89 I 9.02 4.67 1.94 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.48 0.74 0.00 0.00 90 F 9.22 5.01 0.00 3.14 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 91 V 7.95 4.87 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 0.87 0.00 0.00 1.01 0.00 0.00 92 V 8.51 4.47 2.36 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 0.80 0.00 0.00 1.03 0.00 0.00 93 D 8.69 4.73 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 9.07 4.25 0.00 3.99 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 0.00 95 N 8.27 4.55 0.00 2.68 2.95 0.00 0.00 6.99 8.29 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 96 D 7.57 4.77 0.00 2.84 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 97 R 8.08 4.10 0.00 1.92 1.96 0.00 3.18 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 98 E 8.28 4.10 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 99 R 8.04 4.63 0.00 1.91 1.92 0.00 3.14 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 100 V 7.55 3.72 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 0.81 0.00 0.00 0.94 0.00 0.00 101 N 8.08 4.32 0.00 2.76 2.90 0.00 0.00 6.80 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 0.00 102 E 8.20 4.00 0.00 2.05 2.13 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 2.43 2.41 0.00 103 A 8.01 4.13 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.08 3.62 0.00 1.91 2.11 0.00 3.20 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 105 E 8.16 3.91 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 106 E 8.22 3.97 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 107 L 7.75 3.60 0.00 0.27 1.21 0.55 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 108 M 8.06 3.97 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.74 0.00 109 R 7.93 3.93 0.00 2.05 2.09 0.00 3.24 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 110 M 8.24 4.29 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.16 0.00 111 L 8.09 4.12 0.00 1.66 1.69 0.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.57 4.37 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 0.00 113 E 7.75 4.13 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 2.62 2.60 0.00 114 D 9.17 4.45 0.00 2.81 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 0.00 115 E 8.27 4.19 0.00 2.15 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 0.00 2.39 2.55 0.00 116 L 7.81 4.58 0.00 1.62 1.53 0.43 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.80 3.88 0.00 1.95 1.99 0.00 3.24 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 118 D 7.86 4.74 0.00 2.69 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 0.00 119 A 7.43 4.28 1.27 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 0.00 0.00 0.00 0.00 0.00 120 V 8.63 3.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.88 0.00 0.00 121 L 9.27 5.27 0.00 1.88 1.71 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.11 5.06 0.00 1.98 1.49 0.98 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.92 4.71 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 1.14 0.00 0.00 0.92 0.00 0.00 124 F 9.06 5.36 0.00 2.98 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 9.31 4.89 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 0.00 126 N 9.17 5.17 0.00 2.85 2.80 0.00 0.00 7.09 7.27 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 0.00 127 K 8.33 4.34 0.00 2.02 1.89 0.00 2.24 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.39 7.81 128 Q 8.04 4.22 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.01 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 129 D 8.00 4.46 0.00 2.81 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 0.00 130 L 7.82 4.21 0.00 1.85 1.62 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.19 0.00 2.17 2.21 0.00 3.72 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 1.99 1.98 0.00 132 N 7.91 4.78 0.00 2.66 2.80 0.00 0.00 6.92 7.96 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 0.00 133 A 7.74 4.22 1.30 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 0.00 0.00 134 M 8.63 4.35 0.00 1.98 2.08 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 2.73 2.69 0.00 135 N 8.73 4.70 0.00 2.84 2.96 0.00 0.00 6.11 7.01 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 0.00 136 A 8.77 3.96 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 0.00 137 A 8.00 3.92 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 0.00 138 E 8.62 3.87 0.00 2.05 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 0.00 2.30 2.35 0.00 139 I 7.89 3.68 1.99 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 1.71 0.70 0.91 0.00 0.00 140 T 8.07 3.64 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 0.92 0.00 0.00 141 D 7.85 4.34 0.00 2.87 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 0.00 142 K 7.95 4.06 0.00 1.70 1.84 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 143 L 8.12 4.25 0.00 1.35 1.45 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.73 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.46 3.26 0.00 0.48 0.13 0.48 0.43 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 0.00 146 H 7.69 4.55 0.00 3.12 3.39 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.66 4.33 0.00 3.98 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 0.00 148 L 7.26 4.38 0.00 1.62 1.69 0.51 0.65 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 0.00 149 R 7.88 4.20 0.00 1.71 1.95 0.00 3.16 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 1.68 1.69 0.00 150 H 8.02 5.12 0.00 3.17 3.30 0.00 5.64 0.00 0.00 0.00 0.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 7.94 4.61 0.00 1.79 1.92 0.00 3.36 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 152 N 8.84 4.95 0.00 2.98 2.82 0.00 0.00 6.68 7.95 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 0.00 153 W 8.35 6.30 0.00 3.45 3.02 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 0.00 154 Y 8.34 4.34 0.00 1.43 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 0.00 155 I 7.75 4.96 1.95 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 1.22 1.24 0.88 0.00 0.00 156 Q 9.10 4.67 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.72 2.52 0.00 157 A 8.76 4.73 1.27 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 0.00 0.00 0.00 0.00 0.00 158 T 9.01 4.73 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 0.99 0.00 0.00 159 C 8.82 4.71 0.00 2.93 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 0.00 160 A 8.83 3.83 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 0.00 161 T 7.89 4.01 4.21 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 1.18 0.00 0.00 162 S 7.95 4.25 0.00 3.99 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 0.00 163 G 8.45 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 0.00 164 D 7.64 4.52 0.00 2.78 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 0.00 165 G 8.95 4.22 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 0.00 0.00 0.00 166 L 7.43 3.49 0.00 0.92 1.08 0.50 -0.09 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 0.00 167 Y 7.58 4.28 0.00 3.09 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 0.00 168 E 8.44 4.20 0.00 2.44 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 0.00 2.50 2.55 0.00 169 G 8.41 3.96 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 0.00 0.00 0.00 170 L 8.47 4.32 0.00 1.95 2.01 0.49 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.60 4.45 0.00 3.03 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 W 8.11 3.94 0.00 2.92 3.03 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 0.00 0.00 0.00 173 L 8.28 3.63 0.00 2.09 2.00 1.00 0.71 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 0.00 174 S 8.44 4.06 0.00 4.24 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 0.00 175 N 7.78 4.28 0.00 2.65 2.71 0.00 0.00 7.36 6.97 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 0.00 176 Q 7.26 3.77 0.00 1.64 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 177 L 7.36 4.07 0.00 1.62 1.65 0.84 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 178 R 6.96 4.08 0.00 1.88 1.89 0.00 3.18 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 0.00 * Residues marked with a * may have inaccurate shift predictions.