NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5566 8.1576 120.0879 56.3361 34.1047 174.1031 3 I 5.0886 8.4837 116.8674 58.8267 40.3391 173.2706 4 R 4.7030 9.3330 123.4050 54.5125 34.5531 175.3687 5 I 4.8760 8.3768 122.7972 59.7242 40.5636 174.3581 6 G 4.5872 8.9498 113.7072 44.8710 0.0000 170.7152 7 H 5.5361 8.9121 120.5118 54.0627 32.9546 172.7394 8 G 4.3238 9.1076 111.8857 44.4967 0.0000 171.3059 9 F 5.4247 8.5394 123.2716 56.5695 42.6937 172.9591 10 D 4.5882 8.2015 124.1713 52.7539 45.2104 173.8688 11 V 4.9447 7.7081 121.1644 60.7532 34.8304 173.8540 12 H 4.9120 8.4287 122.4277 53.7604 33.5448 172.1558 13 K 4.6008 8.3690 121.5501 55.5463 33.6409 176.2934 14 F 4.9332 8.5013 125.6253 57.8729 39.7342 174.8750 15 G 3.9034 8.4602 107.8759 45.4696 0.0000 173.4283 16 E 4.4662 8.3032 122.4599 53.8190 30.5000 173.8870 17 P 4.7035 0.0000 0.0000 61.6152 29.9644 175.1335 18 R 4.5733 7.6469 122.1535 54.7932 32.2499 173.1316 19 P 4.4028 0.0000 0.0000 63.0233 32.1985 176.2972 20 L 4.3559 8.6436 125.7647 54.5761 42.8019 175.0311 21 I 4.8384 8.2596 128.0269 59.5016 39.7283 175.0631 22 L 4.8337 8.6949 127.3487 53.9851 44.3040 176.3277 23 C 4.0987 10.1879 124.1395 60.3695 29.9315 173.6995 24 G 3.9085 8.8728 104.3912 44.9293 0.0000 174.0487 25 V 4.2827 7.4795 119.8365 60.4043 33.5712 173.9945 26 E 4.5833 8.7733 128.4626 56.1326 30.0989 175.5651 27 V 4.2594 8.3123 127.6942 60.1206 33.4937 173.5637 28 P 4.4684 0.0000 0.0000 63.2027 31.5263 175.1132 29 Y 4.7527 8.3021 122.6774 56.4203 41.4241 174.7843 30 E 3.6266 7.4510 122.3965 58.9101 29.7315 176.1254 31 T 4.5966 7.0305 112.1510 60.8507 71.1923 171.2833 32 G 4.6780 8.8127 110.4525 43.7531 0.0000 171.4640 33 L 5.3526 8.4037 119.1024 52.8724 43.7138 176.8622 34 V 3.8915 8.8011 124.3959 63.0624 31.8739 174.9621 35 A 4.3780 8.1099 127.2285 51.6707 21.6376 175.7228 36 H 4.3698 8.8017 119.4675 59.7457 30.7682 176.1129 37 S 4.4547 7.7558 111.7688 57.7823 64.5449 173.1887 38 D 4.3395 8.1716 119.4195 55.1339 39.1159 177.1262 39 G 3.6584 7.8795 108.1726 46.2633 0.0000 174.9072 40 D 4.7253 8.2067 122.3240 52.4809 39.5349 176.6811 41 V 3.8155 7.8074 127.3933 63.5111 31.5114 178.5595 42 V 3.4683 7.6328 118.4837 66.0225 31.5079 177.9555 43 L 4.0328 8.1013 118.6863 57.8128 41.3216 179.2577 44 H 4.1893 8.3025 116.1717 58.8993 28.7056 177.6243 45 A 3.9714 7.8908 122.3308 55.2149 18.1944 179.7993 46 I 3.6769 7.7760 118.3247 64.5068 36.7595 178.6635 47 S 4.1874 8.3881 116.3901 62.0135 62.6403 176.7066 48 D 4.3861 8.3926 121.1526 57.1457 40.4198 178.7311 49 A 4.0623 8.0364 121.5077 55.0936 18.1391 179.8468 50 I 3.6970 7.6495 117.3077 64.5717 37.5050 178.2293 51 L 4.2045 8.3071 120.3370 57.7683 41.1982 179.9652 52 G 3.5970 8.2132 104.6396 47.5560 0.0000 176.4570 53 A 4.8789 8.1561 121.6562 51.3910 19.2211 177.6298 *55 A 4.0777 7.9183 120.4920 54.1645 19.7446 178.1614 56 L 4.6514 8.4354 117.9459 55.2871 43.4716 177.3928 57 G 4.0542 9.3169 106.6442 44.0163 0.0000 174.7840 58 D 4.7547 8.2464 125.7288 50.7091 42.0326 175.8568 59 I 3.8989 9.1246 113.4101 63.7349 37.0993 178.4786 60 G 3.5320 7.7950 106.9203 47.3182 0.0000 175.4870 61 K 4.0020 7.7720 120.7491 59.8315 32.4260 178.4956 62 H 3.9773 7.6782 114.3343 57.1749 29.9821 175.7769 63 F 4.1030 7.4974 117.8075 54.5117 39.5069 172.8534 64 P 4.4377 0.0000 0.0000 62.8265 32.0903 178.2544 65 D 4.3694 8.6151 121.0943 56.9147 40.9490 177.5793 66 T 3.9614 7.8430 107.9492 62.8737 69.5376 173.5969 67 D 4.7396 8.0521 123.3512 52.3303 42.0037 176.7823 68 A 4.1301 8.6649 129.9920 54.6577 18.7590 178.7484 69 A 3.8055 8.1766 118.8337 55.1440 18.5119 177.9613 70 Y 4.4851 7.5628 111.0448 57.6063 38.5550 175.3784 71 K 3.9607 7.7027 122.9563 57.5626 32.3066 176.8385 72 G 3.8440 9.1580 114.3799 45.5867 0.0000 173.3476 73 A 4.0191 7.8087 123.4737 51.5639 19.1389 177.0735 74 D 4.8274 8.5781 121.6291 54.4935 41.7258 177.2692 75 S 4.3095 9.0671 123.0156 60.4489 62.7541 176.6377 76 R 3.9416 8.4033 121.8334 58.9032 29.7406 178.9029 77 V 3.5673 7.7137 118.3017 65.9986 31.5296 178.1612 78 L 3.4313 7.5047 118.1857 57.3372 41.4377 178.9997 79 L 4.0650 7.8224 121.6084 57.7638 41.9709 179.2928 80 R 4.0307 8.2867 118.2541 59.3876 29.9622 178.4031 81 H 4.1895 8.4065 118.0620 59.6489 29.9108 177.1264 82 C 4.2609 8.3746 118.3683 63.1239 27.9337 175.5331 83 Y 4.2404 8.3945 120.9643 60.6391 38.2900 177.7887 84 A 3.9064 8.4998 122.0865 54.9718 18.5403 179.6439 85 L 3.8853 8.0401 117.4407 57.8029 41.6747 179.4393 86 A 3.9842 7.7461 120.1968 55.2404 18.2883 179.8370 87 K 4.3863 8.2039 118.1908 59.0886 31.8481 179.4978 88 A 4.0053 8.0574 120.2099 54.5140 18.3499 178.8285 89 K 4.4017 7.6926 114.2971 56.4789 32.6635 177.5831 90 G 3.8750 8.4297 108.7405 45.0671 0.0000 172.8654 91 F 5.2305 8.3881 117.9274 55.4304 42.4641 174.2052 92 E 5.1733 9.1284 118.3120 54.3368 33.8541 174.0537 93 L 4.0085 9.1729 123.0710 55.7436 41.9107 176.2802 94 G 4.0497 9.4380 116.3631 47.1747 0.0000 173.0725 95 N 5.2762 7.6160 114.6240 50.9592 41.3480 172.4565 96 L 5.1628 8.9189 121.2247 53.3965 45.8686 174.5743 97 D 5.1899 9.1712 124.7753 52.5551 44.5224 174.1385 98 V 4.8431 8.6929 125.1984 61.3648 35.3447 174.3447 99 T 4.9310 9.1524 123.1174 61.9025 71.7427 172.9506 100 I 4.3902 8.9028 129.0648 60.4090 38.9952 175.1821 101 I 4.8497 8.8712 128.5374 60.0463 38.8687 174.5515 102 A 4.7013 8.6075 127.5042 51.1375 22.3372 176.8969 103 Q 3.9501 8.9688 122.2138 58.2846 29.7615 175.5434 104 A 4.4423 7.3359 117.2026 50.2715 21.6808 173.6825 105 P 4.4746 0.0000 0.0000 61.8729 32.3588 175.7127 106 K 4.1496 8.1429 118.1166 55.9997 33.1333 176.8817 *108 A 4.4064 8.4120 120.7103 52.1692 19.9669 177.2018 109 P 4.2966 0.0000 0.0000 64.7984 31.7806 176.6196 110 H 4.8267 7.8526 113.6923 55.5573 30.4342 176.2530 111 I 3.8276 7.5299 120.7674 64.5189 37.3421 177.4185 112 E 4.1214 8.2218 119.2668 59.5728 29.6516 179.6527 113 D 4.3304 7.6758 115.3969 54.8518 40.4073 178.5350 *115 R 4.2778 8.1096 120.5520 56.4753 32.2326 178.1356 116 Q 3.9801 8.1198 116.8321 58.5727 28.5296 178.7042 117 V 3.5505 7.7568 119.4878 66.2023 31.4980 178.2093 118 L 3.9303 7.8556 117.8513 57.6040 41.4330 179.1605 119 A 3.9134 8.2530 120.7644 54.8374 18.2241 179.6306 120 A 3.8860 7.9798 119.3048 55.6739 18.3858 179.7949 121 D 4.3313 8.0986 115.7625 56.7968 41.0159 177.5647 122 L 3.6918 7.9315 116.7535 53.1934 42.2213 175.7478 123 N 4.0757 7.5984 116.0754 54.7720 37.6722 172.7529 124 A 4.8406 7.9893 118.5897 50.0536 23.0058 175.9373 125 D 4.5972 8.3973 119.6155 53.7701 41.7869 178.6572 126 V 3.5554 8.4511 122.8089 64.4128 31.6158 177.9261 127 A 4.0754 8.0233 122.1415 54.3007 18.4232 177.3184 128 D 4.8007 8.3736 115.4674 53.9344 41.2259 175.5485 129 I 4.9428 7.7762 120.4533 59.4706 40.3196 174.3527 130 N 5.0493 9.2881 125.7976 51.6101 42.1163 173.0252 131 V 4.8457 8.4388 124.7186 61.1176 34.1675 174.5411 132 K 4.8649 9.1788 126.5913 54.6182 35.7497 174.9018 133 A 5.2449 8.3397 122.0753 50.7892 22.4539 175.3743 134 T 4.7571 8.8779 114.4728 60.6455 71.4260 173.4832 135 T 4.8405 8.7527 117.2092 60.0576 71.1177 174.0587 136 T 4.4446 8.1882 109.0782 61.3348 69.4005 174.3009 137 E 3.9282 8.7197 118.1370 58.5464 27.4238 175.6602 138 K 4.2439 8.4204 112.6247 56.8144 31.0164 176.2186 139 L 4.4284 7.7609 119.7191 54.2240 43.3135 178.0864 140 G 4.2605 8.5254 111.2859 44.8629 0.0000 173.9458 141 F 4.4889 8.4603 113.1344 60.1107 37.6467 177.4902 142 T 4.1355 7.0748 110.0853 64.7087 68.5608 176.7654 143 G 3.6467 7.9228 108.2649 47.0029 0.0000 174.8532 144 R 4.4768 7.9207 117.6568 55.1275 30.3504 176.3461 145 K 4.1567 8.0036 117.0817 57.7219 30.3363 176.5532 146 E 4.4209 8.5683 120.0153 58.2210 30.1449 176.7020 147 G 3.8914 7.2387 104.0745 45.1968 0.0000 171.7464 148 I 4.6425 7.4719 118.6564 59.3064 40.9778 174.9260 149 A 5.0681 8.6187 127.3613 50.1697 22.3671 175.4615 150 V 4.7930 8.3211 119.5146 61.2107 35.3522 174.1137 151 E 5.4794 9.1437 126.2398 54.7776 32.7640 174.8579 152 A 5.1337 8.8943 123.3755 50.5500 23.1914 175.5078 153 V 5.1240 8.9551 114.1931 59.5449 35.8288 175.2707 154 V 4.9350 8.7534 122.2296 59.9209 35.3635 173.7961 155 L 5.1881 8.8980 124.7122 53.4645 44.4408 174.8876 156 L 5.4497 9.0884 126.8943 53.1304 44.4257 175.6755 157 S 5.5075 9.1255 117.1750 56.0903 66.4556 173.5846 158 R 3.4217 8.2501 119.1036 55.9231 29.9314 176.4687 159 Q 4.0349 8.5812 122.5525 56.4321 29.0125 175.4452 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.16 4.56 0.00 1.82 2.01 0.00 1.68 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.51 7.81 3 I 8.48 5.09 1.94 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 1.39 0.83 0.97 0.00 0.00 4 R 9.33 4.70 0.00 1.52 1.80 0.00 2.76 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 5 I 8.38 4.88 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 1.30 1.57 0.91 0.00 0.00 6 G 8.95 4.59 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 0.00 7 H 8.91 5.54 0.00 3.14 3.16 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.11 4.32 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 0.00 9 F 8.54 5.42 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.20 4.59 0.00 2.68 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 0.00 0.00 0.00 0.00 11 V 7.71 4.94 1.94 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 1.10 0.00 0.00 0.90 0.00 0.00 12 H 8.43 4.91 0.00 2.96 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.37 4.60 0.00 1.77 1.64 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.60 7.81 14 F 8.50 4.93 0.00 3.10 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 15 G 8.46 3.90 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 0.00 0.00 0.00 16 E 8.30 4.47 0.00 2.09 1.88 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 2.33 2.36 0.00 17 P 0.00 4.70 0.00 2.22 2.08 0.00 3.88 0.00 0.00 3.86 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 18 R 7.65 4.57 0.00 1.98 2.04 0.00 2.98 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 19 P 0.00 4.40 0.00 1.96 2.20 0.00 3.67 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 2.10 0.00 20 L 8.64 4.36 0.00 1.83 1.78 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.26 4.84 1.84 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 1.34 0.88 0.97 0.00 0.00 22 L 8.69 4.83 0.00 1.54 1.48 0.86 0.50 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 23 C 10.19 4.10 0.00 3.02 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.87 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 25 V 7.48 4.28 2.19 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 1.04 0.00 0.00 0.97 0.00 0.00 26 E 8.77 4.58 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 27 V 8.31 4.26 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 0.75 0.00 0.00 28 P 0.00 4.47 0.00 2.03 2.02 0.00 3.81 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 2.12 0.00 29 Y 8.30 4.75 0.00 2.89 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 30 E 7.45 3.63 0.00 1.84 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.79 0.00 31 T 7.03 4.60 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 1.24 0.00 0.00 32 G 8.81 4.68 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 0.00 33 L 8.40 5.35 0.00 1.49 1.52 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.80 3.89 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 0.73 0.00 0.00 0.99 0.00 0.00 35 A 8.11 4.38 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 36 H 8.80 4.37 0.00 3.30 3.45 0.00 5.87 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.76 4.45 0.00 4.19 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 38 D 8.17 4.34 0.00 2.78 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 39 G 7.88 3.66 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 40 D 8.21 4.73 0.00 2.77 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 41 V 7.81 3.82 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 0.76 0.00 0.00 0.80 0.00 0.00 42 V 7.63 3.47 2.22 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 1.02 0.00 0.00 0.87 0.00 0.00 43 L 8.10 4.03 0.00 1.71 1.68 0.89 1.15 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 44 H 8.30 4.19 0.00 3.40 3.30 0.00 5.64 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 45 A 7.89 3.97 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 46 I 7.78 3.68 1.97 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 1.50 0.97 0.89 0.00 0.00 47 S 8.39 4.19 0.00 4.05 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 48 D 8.39 4.39 0.00 2.93 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 49 A 8.04 4.06 1.41 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 50 I 7.65 3.70 2.08 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 1.62 0.75 1.08 0.00 0.00 51 L 8.31 4.20 0.00 1.65 1.68 0.78 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.21 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 53 A 8.16 4.88 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 *55 A 7.92 4.08 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 56 L 8.44 4.65 0.00 1.59 1.69 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.32 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 0.00 0.00 0.00 0.00 58 D 8.25 4.75 0.00 3.01 2.76 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 0.00 0.00 0.00 59 I 9.12 3.90 2.04 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 1.76 0.54 1.05 0.00 0.00 60 G 7.79 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.77 4.00 0.00 1.72 1.84 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.51 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.29 1.38 7.81 62 H 7.68 3.98 0.00 1.85 1.67 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.50 4.10 0.00 2.60 1.74 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 64 P 0.00 4.44 0.00 2.26 2.18 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.01 0.00 65 D 8.62 4.37 0.00 2.64 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 66 T 7.84 3.96 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 1.20 0.00 0.00 67 D 8.05 4.74 0.00 2.87 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 68 A 8.66 4.13 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 69 A 8.18 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.56 4.49 0.00 3.22 3.01 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 71 K 7.70 3.96 0.00 1.68 1.76 0.00 1.95 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.32 7.81 72 G 9.16 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 73 A 7.81 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.58 4.83 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.07 4.31 0.00 3.89 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 76 R 8.40 3.94 0.00 1.94 2.06 0.00 3.11 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 77 V 7.71 3.57 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 1.04 0.00 0.00 0.92 0.00 0.00 78 L 7.50 3.43 0.00 1.51 0.78 0.55 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.82 4.06 0.00 1.75 1.80 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.29 4.03 0.00 1.99 2.03 0.00 3.23 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 81 H 8.41 4.19 0.00 3.42 3.61 0.00 5.61 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 82 C 8.37 4.26 0.00 3.30 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 83 Y 8.39 4.24 0.00 3.05 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 84 A 8.50 3.91 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 85 L 8.04 3.89 0.00 1.91 1.73 0.99 1.08 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 86 A 7.75 3.98 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 87 K 8.20 4.39 0.00 1.72 1.74 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.67 0.98 7.81 88 A 8.06 4.01 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 89 K 7.69 4.40 0.00 2.02 1.99 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.55 7.81 90 G 8.43 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 91 F 8.39 5.23 0.00 3.13 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 92 E 9.13 5.17 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 2.36 2.32 0.00 93 L 9.17 4.01 0.00 1.70 1.70 0.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.44 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 0.00 0.00 0.00 0.00 95 N 7.62 5.28 0.00 2.87 2.90 0.00 0.00 5.38 6.67 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 96 L 8.92 5.16 0.00 1.72 1.47 0.95 1.03 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 97 D 9.17 5.19 0.00 2.79 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 98 V 8.69 4.84 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 1.05 0.00 0.00 0.95 0.00 0.00 99 T 9.15 4.93 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 1.22 0.00 0.00 100 I 8.90 4.39 1.92 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 1.19 0.64 0.87 0.00 0.00 101 I 8.87 4.85 1.95 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 1.17 0.91 0.85 0.00 0.00 102 A 8.61 4.70 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 0.00 103 Q 8.97 3.95 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 104 A 7.34 4.44 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 0.00 105 P 0.00 4.47 0.00 2.17 2.06 0.00 3.50 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 106 K 8.14 4.15 0.00 1.80 1.84 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.46 7.81 *108 A 8.41 4.41 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 0.00 109 P 0.00 4.30 0.00 1.71 2.01 0.00 3.78 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 1.99 2.07 0.00 110 H 7.85 4.83 0.00 3.17 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.53 3.83 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 1.30 0.74 0.95 0.00 0.00 112 E 8.22 4.12 0.00 1.99 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 2.39 2.27 0.00 113 D 7.68 4.33 0.00 2.96 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 *115 R 8.11 4.28 0.00 2.04 2.00 0.00 3.12 0.00 0.00 3.53 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 116 Q 8.12 3.98 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 117 V 7.76 3.55 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 118 L 7.86 3.93 0.00 1.83 1.63 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.25 3.91 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 0.00 120 A 7.98 3.89 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 0.00 121 D 8.10 4.33 0.00 2.62 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 0.00 122 L 7.93 3.69 0.00 1.42 0.96 0.70 0.65 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 0.00 123 N 7.60 4.08 0.00 2.84 2.94 0.00 0.00 6.80 8.95 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 0.00 124 A 7.99 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.40 4.60 0.00 2.73 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 0.00 126 V 8.45 3.56 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 0.79 0.00 0.00 0.92 0.00 0.00 127 A 8.02 4.08 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 0.00 128 D 8.37 4.80 0.00 2.83 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 0.00 129 I 7.78 4.94 1.96 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 1.07 0.57 0.88 0.00 0.00 130 N 9.29 5.05 0.00 2.78 2.78 0.00 0.00 6.15 8.56 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 0.00 131 V 8.44 4.85 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 0.87 0.00 0.00 0.92 0.00 0.00 132 K 9.18 4.86 0.00 1.78 1.65 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.45 7.81 133 A 8.34 5.24 1.16 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 0.00 0.00 134 T 8.88 4.76 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 1.20 0.00 0.00 135 T 8.75 4.84 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 1.21 0.00 0.00 136 T 8.19 4.44 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 1.13 0.00 0.00 137 E 8.72 3.93 0.00 2.12 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 2.25 2.39 0.00 138 K 8.42 4.24 0.00 1.93 1.95 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.36 7.81 139 L 7.76 4.43 0.00 1.77 1.55 0.91 0.74 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 0.00 140 G 8.53 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 0.00 141 F 8.46 4.49 0.00 3.38 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.07 4.14 4.13 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 0.00 0.00 0.95 0.00 0.00 143 G 7.92 3.65 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 0.00 0.00 0.00 144 R 7.92 4.48 0.00 1.91 2.05 0.00 3.37 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 145 K 8.00 4.16 0.00 2.02 2.04 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.48 7.81 146 E 8.57 4.42 0.00 2.39 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 0.00 2.41 2.55 0.00 147 G 7.24 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 0.00 148 I 7.47 4.64 1.64 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.53 0.82 0.00 0.00 149 A 8.62 5.07 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 0.00 150 V 8.32 4.79 1.95 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 0.96 0.00 0.00 0.84 0.00 0.00 151 E 9.14 5.48 0.00 2.03 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 2.69 2.51 0.00 152 A 8.89 5.13 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 8.96 5.12 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 0.81 0.00 0.00 1.01 0.00 0.00 154 V 8.75 4.93 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 1.02 0.00 0.00 155 L 8.90 5.19 0.00 1.74 1.57 0.95 0.70 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 0.00 156 L 9.09 5.45 0.00 1.63 1.74 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 157 S 9.13 5.51 0.00 3.86 3.98 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 0.00 158 R 8.25 3.42 0.00 1.23 1.15 0.00 2.96 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.00 159 Q 8.58 4.03 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.