NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5189 8.3349 116.8173 58.7703 64.3442 172.3771 1 L 4.4323 8.2526 118.5436 55.2664 43.3942 175.2744 2 I 4.8665 8.4191 119.4815 59.8373 41.4174 173.7529 3 R 4.7426 9.1441 127.7871 54.3105 34.3099 174.0544 4 I 4.9080 8.2975 121.5929 59.3610 41.1215 174.3578 5 G 4.5408 9.0693 114.3457 44.9577 0.0000 170.6704 6 H 5.5273 8.7472 119.3566 54.2394 33.8581 172.2410 7 G 4.4394 9.1132 110.9669 44.6531 0.0000 171.1295 8 F 5.5512 8.6165 123.6009 56.6544 42.6989 172.8929 9 D 4.5550 8.2403 123.9761 52.7839 45.1275 173.8238 10 V 4.7608 7.9466 121.7949 61.2277 35.1411 174.0189 11 H 4.7919 9.2074 126.6550 54.2149 32.2209 172.2460 12 A 4.2933 8.0859 127.9923 51.0302 19.4172 176.8936 13 F 4.7333 8.2787 121.2624 57.8723 39.6565 175.1546 14 G 4.5173 8.7082 108.1959 44.8461 0.0000 171.3754 15 E 4.9784 9.5158 118.4206 54.2465 33.4076 173.8782 16 D 5.4065 8.7846 120.7367 52.5329 43.6386 175.2106 17 R 4.9045 9.2888 122.1548 53.7237 33.0730 172.6681 18 P 5.0166 0.0000 0.0000 62.8057 32.5601 175.2431 19 L 4.8968 9.3486 121.2568 53.1774 46.6395 175.4736 20 I 4.7445 8.3498 121.4597 59.8506 39.1677 175.4943 21 I 4.3918 8.4794 128.6314 60.3059 39.7530 176.1876 22 G 3.7313 9.4480 114.5859 46.7282 0.0000 174.7012 23 G 3.9065 8.4437 106.9697 45.0882 0.0000 174.3010 24 V 4.2809 7.2272 120.1531 60.7484 33.1114 174.3120 25 E 4.6691 8.6829 126.9322 56.5334 30.0097 176.5984 26 V 4.7116 9.3430 117.9380 58.7579 36.3981 172.9790 27 P 4.8185 0.0000 0.0000 62.6124 32.7164 174.6351 28 Y 4.6100 9.4648 125.2473 56.0660 41.2665 173.4249 29 H 5.1403 8.3452 126.9977 55.2857 31.2558 174.0031 30 T 4.3151 9.7533 122.9721 63.1722 71.0167 175.7272 31 G 3.7136 8.5792 112.4696 44.1004 0.0000 172.2351 32 F 3.9642 8.5162 120.4292 58.3291 39.6655 175.5704 33 I 3.7488 7.1435 128.5395 60.0553 36.2733 175.5438 34 A 4.4285 8.1356 128.5183 52.3922 18.9917 176.4837 35 H 4.9965 8.5707 116.8829 54.9690 29.9801 173.5337 36 S 4.9952 7.9296 113.1027 58.5187 64.9679 173.2431 37 D 4.4837 8.7479 118.6999 53.5124 39.5072 177.1048 38 G 3.6312 8.0422 107.5226 46.4387 0.0000 174.6692 39 D 4.4322 8.7688 120.4491 53.8610 40.2503 176.7994 40 V 3.7465 8.1129 127.2350 64.4290 31.6452 178.0418 41 A 3.9598 7.9279 120.9440 54.9679 18.2932 179.4936 42 L 3.9938 8.1938 117.5312 57.8988 41.6708 179.4167 43 H 4.2383 8.2708 116.0976 58.9167 28.7306 177.6735 44 A 3.9847 8.0123 122.4957 55.0947 18.3287 179.4187 45 L 3.9342 7.9348 118.8590 58.6293 42.2719 179.3989 46 T 3.9582 8.3639 116.1860 66.7187 68.3141 176.5166 47 D 4.4083 8.3156 120.7024 57.0513 40.8238 178.6838 48 A 4.2159 8.0244 122.8897 54.6739 18.0084 179.8101 49 I 3.7235 7.7085 117.9912 64.4513 37.2192 178.7085 50 L 4.1876 7.9763 119.7115 57.5384 41.4077 179.7938 51 G 3.5813 8.3656 105.7913 47.7539 0.0000 175.7077 52 A 4.6359 8.2377 123.2712 53.6212 18.4157 178.5271 53 A 4.1716 7.3189 115.1203 50.8458 19.4833 176.6324 54 A 3.6462 7.5900 119.2964 53.6344 16.5225 178.4222 55 L 4.5332 8.6066 117.8076 55.9486 43.4226 177.3003 56 G 3.9930 9.5435 110.5798 44.4758 0.0000 176.3299 57 D 4.7174 8.4851 123.8934 51.5406 42.2772 174.5188 58 I 3.7449 9.5204 119.3334 64.2562 37.7847 177.6019 59 G 4.1794 7.8784 107.3482 45.5808 0.0000 174.2059 60 K 4.6167 8.1729 115.4175 55.6157 35.1822 177.6903 61 L 3.8621 7.8967 119.5652 57.2644 41.6984 177.3752 62 F 4.9031 7.5374 116.5383 55.9560 40.3828 172.2761 63 P 4.5329 0.0000 0.0000 62.7133 31.7895 177.0754 *70 K 3.9456 7.7784 120.5393 57.7458 32.7770 175.1360 71 N 4.5140 8.5766 112.0793 54.6018 39.0224 176.7678 72 A 3.9774 7.9623 120.9693 53.8225 18.4841 176.6661 73 D 4.8434 7.5917 115.6382 52.4593 42.6419 176.7550 74 S 4.3796 9.0708 123.5791 60.5622 62.7847 176.5130 75 R 4.1908 8.2919 121.3307 58.5239 29.7790 179.0287 76 G 3.6331 7.9312 105.3308 47.7812 0.0000 175.8249 77 L 4.1545 7.9990 121.3320 57.2847 41.6968 179.0640 78 L 3.9738 7.8822 119.9366 58.4057 42.0772 179.1186 79 R 4.0264 8.2404 118.0089 59.5125 30.1890 178.6840 80 E 4.0549 8.6243 118.8380 59.1807 29.5475 178.7985 81 A 3.9959 8.1683 121.0738 55.0061 18.4497 179.4192 82 F 4.1319 8.4384 119.3539 61.1112 39.5037 177.2687 83 R 3.7781 8.5523 118.9113 59.7273 29.9978 178.5760 84 Q 4.1112 7.8542 117.2061 58.8892 28.7652 179.0019 85 V 3.6654 7.7342 119.3347 66.1126 31.5159 178.1778 86 Q 4.4835 7.7126 119.1431 58.4163 28.2580 178.4479 87 E 4.0204 7.7658 118.4763 58.5126 29.4602 178.4513 88 K 4.4108 7.2781 115.8549 55.7752 32.7082 177.1719 89 G 3.6950 8.6149 108.6854 45.2746 0.0000 172.6890 90 Y 5.3886 7.5766 116.9151 56.1282 40.8563 174.7326 91 K 5.1850 9.2396 120.1249 55.0747 36.9728 175.3321 92 I 4.0177 8.6885 121.8727 61.7863 37.2096 176.2419 93 G 3.9522 9.3354 116.3148 47.0146 0.0000 173.2049 94 N 4.8697 7.4311 115.9178 51.7046 40.3354 172.9687 95 V 4.9980 8.5302 112.6308 59.8246 36.6872 174.1725 96 D 5.2185 8.9498 121.8870 52.7563 44.6774 174.0647 97 I 4.9939 8.8518 126.2914 59.7963 40.8132 174.7520 98 T 4.8860 9.0102 123.2995 61.7660 71.0483 173.1425 99 I 4.2351 9.1129 128.9910 60.9096 38.8860 175.5417 100 I 4.8797 8.9492 128.2120 59.8131 38.5993 174.3197 101 A 4.8417 8.6450 127.7012 49.7761 22.3483 176.4437 102 Q 4.1883 8.3488 122.6548 54.8209 27.7642 173.9986 103 A 4.9036 7.3340 121.8122 49.7499 24.4292 174.5914 104 P 4.2902 0.0000 0.0000 63.9634 30.5563 178.2615 105 K 4.0022 8.9419 114.6848 54.2595 33.1071 179.3027 *107 R 4.4869 8.5895 122.5537 54.9214 31.9616 176.2208 108 P 4.2807 0.0000 0.0000 65.0324 31.7975 176.7302 109 H 4.7109 7.9398 113.8301 56.3898 29.7289 176.9651 110 I 3.7869 7.3428 120.2307 64.6235 37.3465 177.0030 111 D 4.4555 8.2973 119.1467 57.5936 41.0823 179.5002 112 A 4.2254 7.5774 118.8788 52.6361 17.9004 179.3976 *114 R 4.2118 8.1876 120.0997 57.8672 32.3543 178.1474 115 A 3.9466 8.1771 119.4217 55.0844 18.3266 179.7455 116 K 3.8738 7.8900 116.7158 59.7079 32.1484 179.6884 117 I 3.6411 7.6741 119.1800 64.2686 37.1639 177.9730 118 A 3.9251 8.4553 121.9530 55.2020 18.2150 179.2984 119 E 3.8079 8.4747 117.9476 59.6795 29.5798 178.8924 120 D 4.4040 8.0446 117.1074 56.2200 40.8994 177.6293 121 L 3.3246 7.4731 117.1449 52.6973 42.7151 176.0620 122 Q 3.2489 7.3559 116.9807 56.9592 26.7555 171.8840 123 C 4.8388 7.7522 110.0798 56.3530 33.5257 172.9135 124 D 4.6242 8.9945 118.9178 53.2710 41.6515 177.0651 125 I 3.6281 8.2273 124.1713 63.8414 38.1743 177.3426 126 E 4.0374 8.2819 119.8490 58.1558 29.5943 176.7583 127 Q 4.5356 8.2328 116.7570 56.0708 30.2052 174.9154 128 V 4.6976 7.9114 120.1280 61.0019 33.7817 174.1476 129 N 5.1386 8.9596 126.4976 51.7979 41.9562 173.2178 130 V 5.0078 8.2805 124.0073 61.1671 34.8898 174.2168 131 K 4.8684 9.1959 125.1169 55.3712 36.6236 174.6782 132 A 5.1950 8.4761 121.5285 50.6371 22.0985 175.0574 133 T 4.8293 9.2110 115.9207 60.7288 71.9140 172.0084 134 T 5.0092 8.4146 113.4330 59.7462 72.3524 173.6082 135 T 4.3455 8.2672 108.4251 60.7177 69.3645 174.4990 136 E 3.6095 8.7779 118.9220 58.1772 27.2919 175.6442 137 K 4.1776 8.8732 113.0786 56.9863 31.2081 176.6555 138 L 4.5007 7.5741 119.4946 53.8536 43.8083 177.7779 139 G 4.2511 8.4108 110.4333 44.8110 0.0000 174.3594 140 F 4.4558 8.5396 114.4600 59.4973 37.6898 177.4944 141 T 4.2114 6.4117 111.5535 63.9233 68.9158 176.9037 142 G 3.6035 7.8405 108.2094 47.3430 0.0000 175.0541 143 R 4.3312 8.1050 117.4585 55.5166 30.7248 176.1509 144 Q 3.7714 7.9457 116.7465 57.3639 26.6098 174.1212 145 E 4.4512 8.2968 117.4162 56.5172 30.5506 176.6423 146 G 2.6647 6.6045 105.0531 45.0502 0.0000 171.4554 147 I 4.7889 7.3909 111.1516 59.3829 41.6993 173.8446 148 A 5.0738 8.6547 123.6505 51.0432 23.4799 174.2269 149 C 5.0836 8.3661 116.8984 58.5373 35.4867 172.3354 150 E 5.4450 9.2161 125.4442 54.7233 33.0421 174.2811 151 A 5.1911 9.0949 125.1763 50.8119 23.3426 175.6010 152 V 5.0101 8.7334 112.8215 59.6351 35.8889 174.7884 153 A 5.1581 8.9703 124.1699 50.2208 23.3100 174.6611 154 L 5.0327 8.8238 121.9227 53.3233 44.9099 175.3760 155 L 5.1902 9.1159 126.4592 53.3413 44.5218 175.6331 156 I 5.2483 8.7307 121.5604 59.5103 41.9770 174.8043 157 R 4.6332 8.3479 124.6458 55.8064 30.5127 177.0073 158 Q 4.1538 8.4468 121.7385 56.3981 28.8221 175.7484 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 0 S 8.33 4.52 0.00 4.01 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 1 L 8.25 4.43 0.00 1.71 1.73 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.42 4.87 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 1.35 0.78 0.94 0.00 0.00 3 R 9.14 4.74 0.00 1.36 1.72 0.00 3.28 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.06 0.00 4 I 8.30 4.91 1.86 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 1.47 0.90 0.00 0.00 5 G 9.07 4.54 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 0.00 0.00 0.00 6 H 8.75 5.53 0.00 3.17 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 9.11 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.62 5.55 0.00 2.98 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 9 D 8.24 4.56 0.00 2.61 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 10 V 7.95 4.76 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 0.59 0.00 0.00 0.80 0.00 0.00 11 H 9.21 4.79 0.00 3.29 3.12 0.00 5.82 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 12 A 8.09 4.29 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 13 F 8.28 4.73 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.71 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.52 4.98 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 2.18 2.39 0.00 16 D 8.78 5.41 0.00 2.74 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 17 R 9.29 4.90 0.00 1.85 2.01 0.00 2.74 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 18 P 0.00 5.02 0.00 2.11 2.10 0.00 3.73 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 1.99 2.01 0.00 19 L 9.35 4.90 0.00 1.53 1.51 0.66 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.35 4.74 1.86 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 1.34 0.58 0.91 0.00 0.00 21 I 8.48 4.39 1.88 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 1.23 1.47 0.92 0.00 0.00 22 G 9.45 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 23 G 8.44 3.91 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 0.00 24 V 7.23 4.28 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 1.06 0.00 0.00 0.99 0.00 0.00 25 E 8.68 4.67 0.00 1.90 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 2.32 2.34 0.00 26 V 9.34 4.71 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 0.80 0.00 0.00 1.03 0.00 0.00 27 P 0.00 4.82 0.00 2.09 2.07 0.00 3.73 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 1.99 1.96 0.00 28 Y 9.46 4.61 0.00 2.97 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 29 H 8.35 5.14 0.00 3.05 3.00 0.00 5.95 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 9.75 4.32 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 1.27 0.00 0.00 31 G 8.58 3.71 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 0.00 0.00 0.00 32 F 8.52 3.96 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.14 3.75 1.40 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.45 0.60 0.00 0.00 34 A 8.14 4.43 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.57 5.00 0.00 3.15 3.25 0.00 5.73 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.93 5.00 0.00 4.07 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 0.00 37 D 8.75 4.48 0.00 2.77 3.06 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 38 G 8.04 3.63 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 0.00 0.00 0.00 39 D 8.77 4.43 0.00 2.72 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.11 3.75 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 0.76 0.00 0.00 0.99 0.00 0.00 41 A 7.93 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 42 L 8.19 3.99 0.00 1.64 1.70 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.27 4.24 0.00 3.14 3.39 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.01 3.98 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 45 L 7.93 3.93 0.00 1.87 1.89 0.92 0.87 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 46 T 8.36 3.96 4.45 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 1.24 0.00 0.00 47 D 8.32 4.41 0.00 2.84 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 48 A 8.02 4.22 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 49 I 7.71 3.72 1.91 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 1.56 1.14 0.97 0.00 0.00 50 L 7.98 4.19 0.00 1.72 1.70 0.92 0.73 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 51 G 8.37 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.24 4.64 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 53 A 7.32 4.17 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 54 A 7.59 3.65 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 55 L 8.61 4.53 0.00 1.70 1.68 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.54 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 57 D 8.49 4.72 0.00 2.90 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 58 I 9.52 3.74 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.58 0.89 0.00 0.00 59 G 7.88 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.17 4.62 0.00 1.65 1.74 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.39 7.81 61 L 7.90 3.86 0.00 1.55 1.31 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.54 4.90 0.00 3.03 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.53 0.00 2.20 2.16 0.00 3.87 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 2.03 1.97 0.00 *70 K 7.78 3.95 0.00 1.74 1.72 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.39 7.81 71 N 8.58 4.51 0.00 2.86 2.99 0.00 0.00 6.76 7.40 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 72 A 7.96 3.98 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 73 D 7.59 4.84 0.00 2.82 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 74 S 9.07 4.38 0.00 3.93 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 75 R 8.29 4.19 0.00 2.01 1.98 0.00 3.12 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 76 G 7.93 3.63 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 0.00 0.00 0.00 77 L 8.00 4.15 0.00 1.79 1.82 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.88 3.97 0.00 1.95 1.89 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.24 4.03 0.00 2.12 2.07 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 80 E 8.62 4.05 0.00 2.21 2.16 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 1.47 2.03 0.00 81 A 8.17 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.44 4.13 0.00 3.10 3.29 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 83 R 8.55 3.78 0.00 2.02 2.08 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 84 Q 7.85 4.11 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 85 V 7.73 3.67 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 1.06 0.00 0.00 0.96 0.00 0.00 86 Q 7.71 4.48 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.55 0.00 0.00 0.00 0.00 0.00 2.12 1.16 0.00 87 E 7.77 4.02 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 88 K 7.28 4.41 0.00 2.13 1.86 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.45 7.81 89 G 8.61 3.70 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 0.00 0.00 0.00 90 Y 7.58 5.39 0.00 3.11 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 91 K 9.24 5.19 0.00 1.88 2.13 0.00 1.38 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.49 7.81 92 I 8.69 4.02 1.94 0.00 0.00 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 1.32 0.49 0.96 0.00 0.00 93 G 9.34 3.95 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 0.00 94 N 7.43 4.87 0.00 2.84 2.88 0.00 0.00 5.81 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 95 V 8.53 5.00 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 0.70 0.00 0.00 0.98 0.00 0.00 96 D 8.95 5.22 0.00 2.72 2.45 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 97 I 8.85 4.99 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 1.23 0.56 0.96 0.00 0.00 98 T 9.01 4.89 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 1.23 0.00 0.00 99 I 9.11 4.24 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 1.23 0.67 0.93 0.00 0.00 100 I 8.95 4.88 1.97 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 1.19 1.06 0.86 0.00 0.00 101 A 8.64 4.84 1.22 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 0.00 102 Q 8.35 4.19 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 103 A 7.33 4.90 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 0.00 104 P 0.00 4.29 0.00 2.19 1.90 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 105 K 8.94 4.00 0.00 1.80 1.66 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 *107 R 8.59 4.49 0.00 1.93 2.04 0.00 3.15 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 108 P 0.00 4.28 0.00 1.82 2.02 0.00 3.63 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 1.98 2.07 0.00 109 H 7.94 4.71 0.00 3.19 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.34 3.79 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 1.31 0.74 0.95 0.00 0.00 111 D 8.30 4.46 0.00 2.73 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 0.00 112 A 7.58 4.23 1.40 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 0.00 0.00 *114 R 8.19 4.21 0.00 2.08 2.02 0.00 3.13 0.00 0.00 3.49 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 115 A 8.18 3.95 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 0.00 116 K 7.89 3.87 0.00 1.84 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.70 7.81 117 I 7.67 3.64 1.97 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 1.55 0.82 0.87 0.00 0.00 118 A 8.46 3.93 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 0.00 119 E 8.47 3.81 0.00 2.03 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 0.00 2.27 2.32 0.00 120 D 8.04 4.40 0.00 2.62 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 0.00 121 L 7.47 3.32 0.00 1.36 1.31 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.36 3.25 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.03 0.00 123 C 7.75 4.84 0.00 3.23 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 0.00 124 D 8.99 4.62 0.00 2.71 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 0.00 125 I 8.23 3.63 1.86 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 1.29 1.39 0.90 0.00 0.00 126 E 8.28 4.04 0.00 2.12 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 0.00 2.32 2.43 0.00 127 Q 8.23 4.54 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 128 V 7.91 4.70 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 0.73 0.00 0.00 0.90 0.00 0.00 129 N 8.96 5.14 0.00 2.87 2.73 0.00 0.00 6.13 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 0.00 130 V 8.28 5.01 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 0.90 0.00 0.00 0.93 0.00 0.00 131 K 9.20 4.87 0.00 1.81 1.83 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.39 7.81 132 A 8.48 5.19 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 0.00 133 T 9.21 4.83 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 1.26 0.00 0.00 134 T 8.41 5.01 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 1.29 0.00 0.00 135 T 8.27 4.35 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 1.10 0.00 0.00 136 E 8.78 3.61 0.00 2.10 2.01 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 2.25 2.24 0.00 137 K 8.87 4.18 0.00 1.85 1.97 0.00 1.53 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.41 7.81 138 L 7.57 4.50 0.00 1.76 1.52 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.41 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 0.00 0.00 0.00 0.00 140 F 8.54 4.46 0.00 3.33 3.30 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 0.00 141 T 6.41 4.21 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 0.91 0.00 0.00 142 G 7.84 3.60 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 0.00 0.00 0.00 143 R 8.11 4.33 0.00 1.84 2.03 0.00 3.33 0.00 0.00 3.25 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 144 Q 7.95 3.77 0.00 2.34 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 145 E 8.30 4.45 0.00 2.14 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 0.00 2.32 2.31 0.00 146 G 6.60 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 0.00 0.00 0.00 147 I 7.39 4.79 1.91 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 1.25 1.07 0.00 0.00 148 A 8.65 5.07 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 0.00 149 C 8.37 5.08 0.00 2.95 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 9.22 5.44 0.00 2.28 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 151 A 9.09 5.19 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 0.00 152 V 8.73 5.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 153 A 8.97 5.16 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 0.00 154 L 8.82 5.03 0.00 1.75 1.50 0.98 0.53 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 0.00 155 L 9.12 5.19 0.00 1.22 1.34 0.65 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.73 5.25 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 1.01 0.00 0.00 157 R 8.35 4.63 0.00 1.65 1.81 0.00 3.00 0.00 0.00 2.95 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 158 Q 8.45 4.15 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.55 0.00 0.00 0.00 0.00 0.00 2.49 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.