NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.4420 8.2893 118.1925 55.0659 33.3924 175.8392 7 I 3.8076 7.5242 111.9312 59.3806 38.7276 173.8672 8 P 4.4827 0.0000 0.0000 62.9098 32.8838 176.2774 9 L 5.3075 8.6714 123.3110 53.0075 44.1630 175.6567 10 L 4.7053 8.8246 124.5474 53.2726 45.2449 175.3771 11 A 5.0729 8.9880 128.7332 51.4193 20.5838 175.7532 12 F 5.0390 9.0351 118.1749 55.5092 42.0860 174.8584 13 A 4.8533 8.6894 123.9357 50.3028 22.1773 174.6921 14 A 4.6119 8.2494 121.2951 50.3298 22.5633 176.3032 15 W 4.3354 8.3595 119.4301 56.2416 29.8795 176.2451 16 S 4.2836 8.6910 116.3838 60.2733 62.1220 174.8107 17 G 4.0424 8.9752 114.6163 45.7936 0.0000 174.3165 18 T 4.0796 7.6830 115.3585 64.5400 69.0231 175.3715 19 G 3.8925 8.2073 109.5609 45.8879 0.0000 175.7844 20 K 3.8691 8.3821 121.4341 59.5729 32.3150 177.7761 21 T 3.8242 7.8369 115.3810 66.9839 67.9478 176.5288 22 T 3.8439 7.8556 117.1044 66.4890 68.4328 176.2850 23 L 3.9068 7.8839 122.1383 58.1149 42.1702 178.7947 24 L 3.7349 8.0279 119.2770 57.9341 41.3392 179.8314 25 K 3.9670 7.9176 116.9421 59.0558 31.7684 179.0552 26 K 4.1679 7.6021 118.1155 58.7143 32.2285 179.0150 27 L 3.7771 8.1347 121.1970 57.9339 41.8837 178.8944 28 I 3.6563 7.7647 119.8162 64.2148 37.0512 176.7244 29 P 4.2141 0.0000 0.0000 65.3633 31.0165 178.5922 30 A 4.0089 7.6089 119.6018 54.9648 18.2834 179.7523 31 L 3.9435 8.0572 117.6244 58.0313 41.7592 179.2443 32 C 4.4526 8.6219 118.1132 62.3493 27.9290 176.1966 33 A 4.1179 8.1878 120.8171 54.4693 17.9110 178.7708 34 R 4.4316 7.2325 114.4707 55.8218 30.4139 177.4022 35 G 3.9499 8.0259 107.0575 45.2738 0.0000 173.8649 36 I 4.0911 7.6068 121.1585 60.8073 38.8701 175.4441 37 R 4.7795 8.9362 126.1404 54.1236 31.1934 173.2591 38 P 5.1135 0.0000 0.0000 61.6167 33.2010 175.4373 39 G 4.2471 9.1045 109.3116 44.7229 0.0000 171.7943 40 L 5.2383 8.1758 120.7802 53.4954 45.5404 174.9013 41 I 4.5898 8.8527 126.6524 59.4382 39.9207 174.2812 42 K 5.1253 8.8057 128.2669 54.8017 34.5328 174.4095 43 H 4.5566 8.6757 128.0158 54.9478 30.6887 174.2060 44 T 4.6443 7.9032 114.1173 59.9748 71.9320 172.3961 45 H 4.6659 8.3335 118.0932 54.9993 31.3717 170.4364 46 H 3.6821 8.7702 127.7857 55.9742 30.7447 173.6480 *59 E 4.3778 8.5552 125.6190 56.1694 31.2441 177.1949 60 L 4.2487 7.6701 117.3818 56.7079 41.3923 179.2543 61 R 3.9718 7.8905 118.3150 58.9958 29.9914 178.5435 62 K 3.9766 8.0207 117.6841 59.3040 32.2829 178.2640 63 A 4.2377 7.7478 120.7392 54.1415 18.2817 176.7211 64 G 3.4126 7.0162 105.5065 45.3952 0.0000 173.5541 65 A 4.1921 7.6963 124.5084 51.1148 18.8561 178.6675 66 A 4.2642 8.7316 125.7024 54.5034 19.8099 177.1922 67 Q 5.0260 8.0080 112.9419 54.5667 32.5977 175.3418 68 T 4.6804 8.9912 119.6670 61.8993 72.4944 172.7549 69 I 5.0607 8.5473 126.9633 59.7057 39.3031 175.1521 70 V 4.4847 8.9132 126.2378 61.0387 34.1153 173.7948 71 A 5.3228 8.8293 129.6982 50.2379 21.5043 175.2025 72 S 4.7567 8.9976 116.0234 55.9650 66.6297 174.8363 73 Q 4.0482 8.8546 120.5743 59.4989 28.6351 177.6062 74 Q 4.1858 7.5632 115.1009 57.8151 29.2498 176.0578 75 R 4.4712 6.9285 112.0962 55.3628 32.2768 172.8489 76 W 5.7010 8.4029 114.8071 54.7550 31.6524 174.1376 77 A 4.6718 9.3658 122.3155 50.0231 22.1059 174.6330 78 L 5.2424 8.5003 122.5249 53.5691 44.4744 175.3054 79 M 4.7809 9.3332 126.3282 53.8331 34.9290 174.7699 80 T 4.9893 8.5130 120.3419 61.5423 71.0396 173.4440 81 E 4.2366 9.0727 129.3269 55.6004 30.0372 177.2111 82 T 4.7096 8.0376 115.5666 59.4126 68.5052 172.7464 83 P 4.0088 0.0000 0.0000 65.6082 32.1269 177.7337 84 D 4.7653 7.5467 116.2031 53.9864 42.3776 175.7234 85 E 4.5871 7.3538 115.1361 54.9563 33.2886 175.0952 86 E 3.9590 8.9563 127.6217 56.2351 30.2892 175.6599 87 E 4.3132 8.7079 126.4941 55.7639 29.5440 175.7323 88 L 4.8409 8.4159 124.3524 53.9528 43.5870 177.0853 89 D 4.5806 8.2470 119.4284 53.1763 40.9340 176.2991 90 L 3.7465 8.2077 128.0611 57.8457 41.8175 179.3513 91 Q 3.9875 8.0846 117.4278 58.6953 28.4076 178.5648 92 F 4.1565 8.4171 121.0457 61.2007 39.8129 176.8472 93 L 3.9185 7.9608 118.3506 57.7971 41.5036 179.1918 94 A 3.9657 8.0196 120.8661 55.3368 18.0738 179.7154 95 S 4.1400 7.5757 110.4083 61.0155 62.9857 176.4809 96 R 3.9437 7.3977 121.3890 58.1090 30.0878 177.0428 97 M 4.1418 7.0685 117.3430 55.0755 32.7858 176.2494 98 D 4.6087 8.2765 121.2336 53.3383 40.4101 176.7279 99 T 4.1272 8.1622 120.5755 63.3622 67.8506 176.4110 100 S 4.2095 7.8894 115.2990 60.9439 63.0287 175.1131 101 K 4.5052 7.8362 118.4543 55.8613 32.2059 175.8861 102 L 5.0234 7.5542 118.0332 53.2262 45.2055 175.9969 103 D 4.8003 8.6968 120.8727 55.4236 42.4178 176.5281 104 L 4.7685 7.6023 118.3639 53.8989 46.0314 173.9207 105 I 5.0330 8.6069 125.1503 59.6438 40.3133 174.8172 106 L 5.1409 8.9109 127.5899 53.8577 43.8171 176.0423 107 V 5.2092 8.7375 120.8750 61.4482 35.4366 174.0001 108 E 4.9161 9.5088 123.5648 56.3775 33.0241 175.9988 109 G 3.9476 9.4112 110.0018 45.3481 0.0000 173.1333 110 F 4.6251 8.0866 117.7271 55.9230 40.8312 176.3339 111 K 4.1549 8.7523 122.7816 59.5057 32.8263 178.3163 112 H 4.6966 7.8940 117.3181 55.4697 28.9602 177.2231 113 E 4.2188 7.7587 119.3473 56.6448 28.0927 176.9230 114 E 4.1541 8.1806 127.0748 56.4149 30.2488 176.1475 115 I 4.4615 7.2383 110.5506 58.0116 40.8661 174.3263 116 A 4.3176 8.3316 121.4211 52.9088 19.3352 176.5733 117 K 4.7412 8.4029 121.2595 55.0228 36.4226 174.6561 118 I 4.5493 7.8398 127.7223 59.4947 39.6051 174.6267 119 V 4.5697 8.1618 126.6416 61.4015 33.4273 174.3367 120 L 5.2615 8.5086 127.6257 53.3199 43.5797 175.8365 121 F 4.9978 9.2873 124.7790 56.5985 43.3323 173.4593 122 R 4.7054 7.5380 123.3132 54.2288 33.1197 175.7648 123 D 4.0506 9.8930 124.8427 57.0112 41.7307 177.0846 124 G 3.8439 7.9009 105.5266 45.6192 0.0000 173.8371 125 A 4.1569 7.7391 121.8267 52.1451 18.3053 178.6062 126 G 3.8854 8.8871 104.2482 46.2671 0.0000 173.5973 127 H 4.7071 7.5040 114.5186 53.8146 32.8371 173.6614 128 R 4.4661 8.6186 122.7545 54.8671 31.1814 175.5690 129 P 3.7196 0.0000 0.0000 66.0909 30.9635 178.2347 130 E 4.1293 8.0586 116.2913 58.3712 29.5287 177.6382 131 E 4.2855 8.1181 117.6703 57.9995 29.8769 177.4211 132 L 3.9444 7.8295 119.4991 54.9552 42.0549 176.6400 133 V 4.1291 8.1699 122.5303 61.2842 32.3728 175.2630 134 I 4.1739 8.0659 129.3567 59.3836 37.1443 175.1829 135 D 4.6963 8.0548 126.3407 51.9654 40.9257 177.3613 136 R 4.0349 8.2530 114.2201 58.3250 29.7182 176.9058 137 H 4.5305 8.6965 116.2865 56.8080 29.3525 175.0993 138 V 3.9927 7.4489 120.9498 63.0592 31.1343 175.7783 139 I 4.4174 8.4837 121.1129 61.2601 39.0567 175.3937 140 A 4.4248 7.1643 121.8302 51.1431 22.4002 175.2208 141 V 4.5856 8.2295 120.4350 60.9288 34.1099 174.5192 142 A 4.7533 8.6151 131.2919 51.4701 19.6625 176.0123 143 S 5.8601 9.8043 117.0785 55.9569 66.5466 173.7821 144 D 5.0032 8.9578 121.5569 53.3447 39.9699 176.3226 145 V 4.6246 7.8401 111.3850 58.8281 35.6588 173.6014 146 P 4.4296 0.0000 0.0000 62.8060 31.7583 176.0063 147 L 4.6896 8.0315 120.4243 52.9694 45.4760 176.2596 148 N 4.6530 8.4471 119.3734 52.2809 37.9851 173.9893 149 L 4.8311 7.8712 123.5748 53.2399 45.8177 176.4240 150 D 4.7500 8.5784 118.5116 54.3224 41.1112 176.1411 151 V 4.6605 7.1954 111.4814 58.6432 35.8140 174.9921 152 A 4.1065 8.5535 122.8090 52.4983 19.4068 176.1581 153 L 4.9081 8.4018 122.9404 53.2198 44.2362 175.4762 154 L 4.7561 8.6138 126.0326 52.5911 45.6334 175.5448 155 D 4.9032 8.5421 121.8469 53.9756 41.2491 176.7623 156 I 3.7825 8.6121 127.8867 63.6235 38.1843 176.2694 157 N 4.7215 8.0999 115.5881 53.2201 38.0246 175.0243 158 D 4.8011 7.7792 120.4839 51.7457 41.1661 176.3509 159 V 3.6613 8.0689 124.2810 65.3842 31.8029 176.9159 160 E 4.0716 8.2532 118.0570 59.5529 29.4123 179.4790 161 G 3.7885 8.2033 106.4904 47.0320 0.0000 175.5228 162 L 4.0421 7.9844 122.4127 58.0249 42.1561 178.7837 163 A 4.1039 8.3983 121.0730 55.2564 18.2428 179.2328 164 D 4.3539 8.2072 117.3068 57.7266 41.0134 178.8410 165 F 4.0920 8.3268 120.9893 61.2197 39.3479 177.3632 166 V 3.7130 8.2250 117.8901 66.0261 31.3568 178.0473 167 V 3.6591 7.9721 117.9923 66.3095 31.1373 177.8510 168 E 3.9001 7.9257 116.8528 59.1172 29.2662 178.8693 169 W 4.0702 8.0274 128.4336 60.3602 30.5720 178.0572 170 M 3.7415 8.1475 118.7557 58.3361 31.2231 178.6972 171 Q 4.2636 7.8227 112.9378 56.3829 28.5518 176.7139 172 K 4.3473 7.2052 119.1962 56.0800 33.8390 176.6147 173 Q 4.1258 7.8715 116.2696 56.4655 28.8093 176.9611 174 N 4.0801 7.5400 116.7977 56.0326 38.8619 174.8317 175 G 3.6953 7.8035 109.8807 45.6175 0.0000 173.3103 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 6 M 8.29 4.44 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 7 I 7.52 3.81 2.05 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 1.35 0.73 0.97 0.00 0.00 8 P 0.00 4.48 0.00 2.24 1.79 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 9 L 8.67 5.31 0.00 1.57 1.60 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.82 4.71 0.00 1.60 1.48 -0.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.99 5.07 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 12 F 9.04 5.04 0.00 2.84 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.69 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.25 4.61 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 15 W 8.36 4.34 0.00 3.41 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 16 S 8.69 4.28 0.00 3.88 3.86 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 0.00 0.00 0.00 17 G 8.98 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 0.00 0.00 0.00 0.00 18 T 7.68 4.08 4.39 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 1.23 0.00 0.00 19 G 8.21 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.38 3.87 0.00 1.86 1.83 0.00 1.91 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.55 7.81 21 T 7.84 3.82 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 1.19 0.00 0.00 22 T 7.86 3.84 4.37 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 1.19 0.00 0.00 23 L 7.88 3.91 0.00 1.75 1.74 0.91 0.68 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 24 L 8.03 3.73 0.00 1.75 1.58 0.87 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.92 3.97 0.00 1.86 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.59 7.81 26 K 7.60 4.17 0.00 1.93 1.82 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.41 7.81 27 L 8.13 3.78 0.00 1.66 1.60 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.76 3.66 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.47 0.89 0.00 0.00 29 P 0.00 4.21 0.00 2.14 2.09 0.00 3.60 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 2.13 2.13 0.00 30 A 7.61 4.01 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 31 L 8.06 3.94 0.00 1.92 1.75 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.62 4.45 0.00 3.09 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 33 A 8.19 4.12 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 34 R 7.23 4.43 0.00 2.09 1.98 0.00 3.34 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 35 G 8.03 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 36 I 7.61 4.09 2.01 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 1.36 1.43 0.95 0.00 0.00 37 R 8.94 4.78 0.00 1.82 1.87 0.00 3.16 0.00 0.00 3.56 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 38 P 0.00 5.11 0.00 2.05 2.05 0.00 3.46 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 39 G 9.10 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 40 L 8.18 5.24 0.00 1.60 1.49 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.85 4.59 1.93 0.00 0.00 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 1.13 0.92 1.05 0.00 0.00 42 K 8.81 5.13 0.00 1.75 1.67 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.48 7.81 43 H 8.68 4.56 0.00 1.40 2.46 0.00 5.75 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 44 T 7.90 4.64 4.17 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 1.15 0.00 0.00 45 H 8.33 4.67 0.00 3.08 3.23 0.00 6.05 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.77 3.68 0.00 3.22 3.28 0.00 5.95 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *59 E 8.56 4.38 0.00 2.07 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 2.28 2.35 0.00 60 L 7.67 4.25 0.00 1.74 1.70 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.89 3.97 0.00 1.86 1.98 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 62 K 8.02 3.98 0.00 1.75 1.95 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.51 7.81 63 A 7.75 4.24 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 64 G 7.02 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 65 A 7.70 4.19 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 66 A 8.73 4.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.01 5.03 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 68 T 8.99 4.68 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 1.24 0.00 0.00 69 I 8.55 5.06 1.90 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 1.50 0.67 0.97 0.00 0.00 70 V 8.91 4.48 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 1.10 0.00 0.00 0.97 0.00 0.00 71 A 8.83 5.32 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 72 S 9.00 4.76 0.00 3.98 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 73 Q 8.85 4.05 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.17 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 74 Q 7.56 4.19 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 75 R 6.93 4.47 0.00 2.01 1.97 0.00 2.69 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 76 W 8.40 5.70 0.00 3.51 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 77 A 9.37 4.67 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 78 L 8.50 5.24 0.00 1.90 1.60 0.98 1.02 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 79 M 9.33 4.78 0.00 1.96 1.96 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 2.52 2.49 0.00 80 T 8.51 4.99 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 1.29 0.00 0.00 81 E 9.07 4.24 0.00 1.97 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 2.33 2.31 0.00 82 T 8.04 4.71 4.51 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 0.00 0.00 0.00 1.25 0.00 0.00 83 P 0.00 4.01 0.00 2.21 2.24 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 84 D 7.55 4.77 0.00 2.66 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 85 E 7.35 4.59 0.00 1.75 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 2.10 2.17 0.00 86 E 8.96 3.96 0.00 2.00 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 2.34 2.33 0.00 87 E 8.71 4.31 0.00 2.03 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 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1.92 0.00 2.86 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 97 M 7.07 4.14 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 98 D 8.28 4.61 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.16 4.13 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 1.20 0.00 0.00 100 S 7.89 4.21 0.00 4.00 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 0.00 101 K 7.84 4.51 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.59 7.81 102 L 7.55 5.02 0.00 1.61 1.51 0.91 0.81 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 0.00 103 D 8.70 4.80 0.00 2.57 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 0.00 104 L 7.60 4.77 0.00 1.81 1.51 1.20 1.20 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 0.00 105 I 8.61 5.03 1.90 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 1.23 0.92 0.92 0.00 0.00 106 L 8.91 5.14 0.00 1.62 1.64 0.87 1.01 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 0.00 107 V 8.74 5.21 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 1.11 0.00 0.00 0.93 0.00 0.00 108 E 9.51 4.92 0.00 2.12 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 0.00 109 G 9.41 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 0.00 110 F 8.09 4.63 0.00 3.20 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 0.00 111 K 8.75 4.15 0.00 1.80 1.91 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.43 7.81 112 H 7.89 4.70 0.00 3.08 3.29 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 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121 F 9.29 5.00 0.00 3.05 2.86 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 0.00 0.00 0.00 122 R 7.54 4.71 0.00 1.58 1.61 0.00 3.14 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 123 D 9.89 4.05 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.90 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 0.00 0.00 0.00 125 A 7.74 4.16 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 0.00 126 G 8.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 7.50 4.71 0.00 2.85 2.59 0.00 5.90 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 0.00 128 R 8.62 4.47 0.00 1.91 2.12 0.00 3.15 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 129 P 0.00 3.72 0.00 2.05 1.93 0.00 3.82 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 130 E 8.06 4.13 0.00 1.98 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 2.31 2.38 0.00 131 E 8.12 4.29 0.00 2.33 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 0.00 2.38 2.32 0.00 132 L 7.83 3.94 0.00 1.71 1.51 0.43 0.63 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 0.00 133 V 8.17 4.13 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 0.82 0.00 0.00 1.04 0.00 0.00 134 I 8.07 4.17 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.97 0.84 0.00 0.00 135 D 8.05 4.70 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.25 4.03 0.00 1.85 2.03 0.00 2.95 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.33 0.00 137 H 8.70 4.53 0.00 3.26 3.52 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.45 3.99 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 0.72 0.00 0.00 0.91 0.00 0.00 139 I 8.48 4.42 1.95 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.71 0.97 0.00 0.00 140 A 7.16 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.23 4.59 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 1.04 0.00 0.00 0.82 0.00 0.00 142 A 8.62 4.75 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 9.80 5.86 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.96 5.00 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 4.62 2.17 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 0.81 0.00 0.00 1.20 0.00 0.00 146 P 0.00 4.43 0.00 2.04 1.99 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 147 L 8.03 4.69 0.00 1.49 1.41 0.72 0.69 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 0.00 148 N 8.45 4.65 0.00 2.63 2.73 0.00 0.00 6.77 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 0.00 149 L 7.87 4.83 0.00 1.56 1.44 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 150 D 8.58 4.75 0.00 2.63 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 0.00 151 V 7.20 4.66 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 0.72 0.00 0.00 0.86 0.00 0.00 152 A 8.55 4.11 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 0.00 153 L 8.40 4.91 0.00 1.56 1.51 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 0.00 154 L 8.61 4.76 0.00 1.45 1.40 0.27 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 155 D 8.54 4.90 0.00 2.81 2.58 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 0.00 156 I 8.61 3.78 2.01 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 0.96 0.97 0.00 0.00 157 N 8.10 4.72 0.00 2.78 2.83 0.00 0.00 6.70 8.06 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 0.00 158 D 7.78 4.80 0.00 2.74 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 0.00 159 V 8.07 3.66 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 1.10 0.00 0.00 0.93 0.00 0.00 160 E 8.25 4.07 0.00 2.04 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 2.41 2.34 0.00 161 G 8.20 3.79 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 0.00 0.00 0.00 162 L 7.98 4.04 0.00 1.85 1.93 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.40 4.10 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 0.00 164 D 8.21 4.35 0.00 3.06 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 0.00 165 F 8.33 4.09 0.00 3.22 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 0.00 166 V 8.23 3.71 2.37 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 1.13 0.00 0.00 1.25 0.00 0.00 167 V 7.97 3.66 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.98 0.00 0.00 168 E 7.93 3.90 0.00 2.02 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 2.33 0.00 169 W 8.03 4.07 0.00 2.97 3.22 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 0.00 170 M 8.15 3.74 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.65 0.00 171 Q 7.82 4.26 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 172 K 7.21 4.35 0.00 1.55 1.65 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.27 7.81 173 Q 7.87 4.13 0.00 1.66 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.44 0.00 0.00 0.00 0.00 0.00 1.30 1.16 0.00 174 N 7.54 4.08 0.00 2.64 2.79 0.00 0.00 6.94 7.65 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 0.00 175 G 7.80 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 * Residues marked with a * may have inaccurate shift predictions.