NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2795 8.1593 117.3737 63.5338 69.8369 173.9663 2 S 4.4337 8.3075 120.9070 56.0184 66.2771 173.6108 3 K 4.0154 8.5309 122.6508 59.5693 32.5451 179.5054 4 K 3.7817 8.1261 119.4265 59.7415 31.7891 178.2670 5 K 4.0729 7.9569 117.6588 58.5734 32.1067 177.7937 6 R 4.4363 7.7275 116.5911 56.5010 30.6807 177.6712 7 Q 4.2228 7.8886 119.7458 57.2795 28.4426 175.5838 8 R 3.8590 7.6516 118.4106 59.7940 29.8181 175.8217 9 G 3.9801 8.8502 111.4025 45.6475 0.0000 173.9091 10 S 4.2251 8.2835 113.8081 58.2016 63.3914 173.9020 11 R 4.0727 7.7921 124.0860 57.4016 29.2823 176.3782 12 T 4.2647 7.5908 104.7884 61.2703 69.8673 174.0906 13 H 4.5801 8.4150 118.0083 56.1266 26.7577 175.5900 14 G 3.9283 8.2617 103.8353 45.9862 0.0000 174.6487 15 G 3.7654 8.2672 108.5890 46.1184 0.0000 175.4857 16 G 3.9945 7.8979 105.6790 44.1591 0.0000 174.1258 17 S 4.1859 8.6303 117.9930 58.4792 62.7194 174.5972 18 H 4.4165 8.8889 121.1143 57.0485 28.1620 175.8244 19 K 4.1168 7.6837 119.0268 57.0973 32.0873 177.6339 20 N 4.3655 7.9353 117.6243 56.0132 38.9446 177.3686 21 R 4.3336 7.4565 121.2056 55.9946 29.1632 177.6048 22 R 4.5496 7.5300 122.6026 56.2137 31.3666 179.9244 23 G 4.0816 8.5421 122.2185 45.8231 0.0000 173.6983 24 A 4.2836 8.6423 120.6941 54.2588 18.3573 179.9455 25 G 3.5575 8.0490 104.4012 47.8781 0.0000 175.1469 26 H 4.4770 8.1275 118.7947 57.9916 29.9098 176.4274 27 R 4.5319 7.6640 117.1970 54.9645 30.6627 175.7390 28 G 3.8759 8.5303 106.6906 47.1386 0.0000 174.1400 29 G 4.1483 8.2422 106.8626 43.5673 0.0000 174.9125 30 R 3.9452 8.7859 121.8812 57.2821 31.6421 176.1682 31 G 3.7856 8.2204 113.5162 47.5455 0.0000 173.3289 32 D 4.7400 8.6128 123.1109 53.8857 40.7227 175.6885 33 A 4.0408 7.4643 122.1820 53.7943 18.8349 179.2429 34 G 3.8009 8.9315 109.1277 45.4966 0.0000 175.1549 35 R 4.2727 7.9439 114.8843 56.8100 29.1009 177.1857 36 D 5.0779 7.8418 115.6242 52.7161 41.8321 175.5570 37 K 4.3868 9.2512 117.7617 57.2369 32.5211 177.6803 38 H 4.5267 9.7117 125.4650 58.2067 29.8858 175.8396 39 E 4.8105 7.5376 121.5152 55.7542 30.3448 177.6417 40 F 4.7174 8.3104 115.0415 59.1242 38.7871 175.3637 41 H 3.3801 6.4847 116.9188 57.3613 28.7120 174.2132 42 N 4.2174 8.6954 119.3489 54.8699 36.0021 173.7288 43 H 4.9044 7.5737 111.9887 53.4407 31.8521 174.1512 44 E 4.0758 8.7836 123.1898 55.6509 29.8783 175.4250 45 P 4.4568 0.0000 0.0000 62.6181 31.9024 176.0901 46 L 4.1541 8.0355 119.2883 54.9427 42.2711 175.8093 47 G 4.2546 8.1208 105.5321 43.5674 0.0000 173.3958 48 K 4.5483 8.1786 119.6872 54.7582 33.8160 176.6164 49 S 4.4230 8.1524 116.2724 57.6543 65.4150 175.1046 50 G 4.0392 9.2446 117.8466 45.6684 0.0000 171.5016 51 F 4.9330 8.4380 113.5160 55.8672 40.7902 173.1808 52 K 4.2578 8.2750 119.3101 54.4505 35.1009 176.2728 53 R 4.5700 7.9547 120.6663 53.7108 31.8100 174.7421 54 P 4.2703 0.0000 0.0000 63.3047 31.3405 177.0146 55 Q 3.8932 8.9906 120.6850 59.1510 28.7266 178.6272 56 K 4.3749 7.9704 113.4967 57.0148 32.7584 177.0850 57 V 4.2290 7.8875 118.0796 62.9061 32.3706 175.3859 58 Q 4.4191 7.5158 117.7850 55.6323 29.6604 174.8362 59 E 4.5275 8.5491 120.8910 54.3713 32.1931 174.9251 60 E 4.4598 8.4461 123.8343 54.3496 31.6064 174.1925 61 A 4.2474 8.2453 129.1656 50.8154 20.2046 176.1558 62 A 4.3715 8.9483 125.5447 51.3413 19.8203 177.0067 63 T 5.3592 7.9976 112.2017 60.1801 71.8819 173.7335 64 I 4.1846 7.6426 117.5686 60.5392 41.3843 172.7313 65 D 5.1544 8.4458 128.7867 53.4083 42.2294 177.7085 66 V 3.6608 8.6726 117.3225 64.8946 31.6035 178.7688 67 R 3.8414 7.8952 117.6688 59.5559 29.4268 178.1938 68 E 3.8766 8.2749 118.5830 59.4354 30.0139 178.1958 69 I 3.7246 7.7898 119.2556 64.4464 37.0520 177.2569 70 D 4.3787 8.3335 118.4829 57.9007 40.9052 178.8191 71 E 4.1792 7.8886 115.7676 58.1538 29.6513 177.3258 72 N 4.9685 8.1465 115.5791 52.4497 40.0516 176.3432 73 V 3.3132 7.4892 114.4092 64.6510 31.7670 178.2442 74 T 3.9611 7.5218 108.5597 65.0517 68.4865 176.2494 75 L 4.1028 7.8698 121.0547 56.3100 42.3286 177.8219 76 L 4.4478 7.8368 119.7226 54.0244 41.3039 178.4067 77 A 4.1353 7.4694 122.0785 55.4628 18.8002 179.2979 78 A 4.4476 7.7604 118.0564 52.0063 18.2607 176.9349 79 D 4.8033 7.9484 117.9728 55.1783 45.5734 175.4501 80 D 4.2886 7.7476 121.1181 50.3262 41.6115 175.7587 81 V 4.5980 8.4191 122.9247 61.4014 34.1326 174.7660 82 A 4.4647 7.7517 127.5042 51.0725 21.4192 175.6527 83 E 3.7527 8.8437 113.6417 59.0791 29.6802 176.4002 *89 F 4.5020 7.6764 117.9551 57.6098 41.2627 173.8001 90 R 4.8616 9.0241 119.5810 54.9430 32.3556 174.4237 91 V 4.4576 8.6086 126.6167 59.8490 34.6645 174.5636 92 D 4.5707 8.7703 124.2840 53.2537 40.9873 176.7985 93 V 3.5453 8.6049 127.1349 66.1520 31.7314 178.4559 94 R 3.8498 7.3933 115.6864 59.4588 29.9366 177.2101 95 D 4.6231 8.4158 115.1914 54.8265 41.4304 177.0182 96 V 4.0401 8.7232 119.5340 64.2323 32.5958 176.5693 97 V 3.6878 7.5479 118.7008 62.6924 31.6760 175.4125 98 E 4.1922 8.5918 126.3020 56.9077 30.4811 177.0044 99 E 3.9695 8.7688 117.1553 57.2271 27.1111 175.1728 100 A 4.2162 7.5092 119.5727 52.9172 18.4823 178.3108 101 D 4.7608 8.2486 119.4788 57.6849 42.9155 177.9052 102 D 4.7008 8.1065 114.1375 53.3601 40.0590 175.3566 103 A 4.6306 7.3263 122.6085 50.5856 20.4272 178.2056 104 D 4.4577 8.5172 122.0049 55.8311 41.6992 175.3909 105 Y 4.6609 6.3521 116.1467 57.3380 41.7005 171.9147 106 V 4.8814 8.4699 120.0415 61.1316 34.0563 174.2845 107 K 4.7135 9.4205 128.6876 54.5934 35.7438 174.5815 108 V 4.6968 8.1302 126.9896 61.5235 33.2251 174.5508 109 L 4.8164 9.4444 128.7893 52.4528 44.3782 176.8964 110 G 4.1019 7.7187 109.4428 45.3210 0.0000 173.6912 111 A 4.6629 7.8780 122.5062 51.5160 21.5727 177.8637 112 G 4.1518 8.8423 109.2566 44.6713 0.0000 172.3564 113 Q 4.4538 8.0810 116.7519 54.3378 30.5988 175.8949 114 V 4.3708 7.9598 118.0918 61.7271 32.6678 175.1995 115 R 4.5580 8.5729 128.8495 55.8068 30.4536 175.9095 116 H 4.9344 7.7609 112.9997 55.1711 33.5342 172.9216 117 E 4.7771 8.8916 119.2554 55.5174 30.2291 176.0332 118 L 5.0168 8.5763 124.4570 53.1917 45.6490 175.9734 119 T 4.8471 8.7623 119.8614 62.0504 70.3223 172.5657 120 L 5.1762 8.5273 126.7729 53.1043 44.4149 175.9230 121 I 5.7702 8.8061 123.4936 59.0227 39.6870 174.5171 122 A 4.9326 8.6840 127.4786 50.3121 22.2973 176.1704 123 D 4.4608 8.7315 117.9935 56.8678 42.1107 175.9193 124 D 4.4668 7.1019 114.4859 53.4374 45.0590 174.3794 125 F 5.4485 8.7852 121.4189 55.9106 43.4250 173.9658 126 S 4.7718 8.2910 114.6522 56.8961 65.4881 174.6232 127 E 4.0126 9.2399 120.9318 60.2228 29.1017 179.9357 128 G 3.8252 8.3391 104.4720 47.9903 0.0000 175.2202 129 A 4.1139 8.2304 122.7857 55.1505 18.5425 179.7976 130 R 3.7267 7.9462 116.0183 59.4235 30.1993 178.6077 131 E 3.9341 8.3971 118.4460 59.7385 29.1215 180.0304 132 K 3.9621 7.7844 118.0516 59.5387 32.1338 179.6818 133 V 3.7055 8.3402 118.2535 64.9390 31.2579 177.5615 134 E 4.7211 7.7583 119.8477 58.1011 29.7930 178.5139 135 G 3.7268 8.1218 106.3481 48.1166 0.0000 173.4832 136 A 4.4753 7.6015 121.2944 51.8929 19.5790 177.0775 137 G 3.8122 8.5115 107.0056 47.0485 0.0000 172.6919 138 G 4.4775 7.4059 106.8732 46.5111 0.0000 170.3263 139 S 5.0011 8.8595 112.9350 56.6954 66.9788 173.2162 140 V 4.4499 8.1316 120.4496 61.1389 33.5643 174.2816 141 E 4.5218 9.6613 129.1722 54.6385 31.3912 174.9172 142 L 5.0169 8.5143 127.7544 54.3318 42.7533 176.3387 143 T 4.0090 8.5758 123.8316 63.8991 69.6409 175.2745 144 D 4.3742 8.7956 121.8046 57.5897 41.2523 178.8673 145 L 3.8812 8.1974 119.6958 58.2313 41.9846 178.3466 146 G 3.8084 7.2647 101.8515 46.3831 0.0000 172.9992 147 E 4.4203 7.9134 119.6889 57.0366 29.4548 176.8259 148 E 4.6112 7.9378 113.8868 56.4417 30.8021 178.3209 149 R 4.2693 7.6108 119.5083 53.1027 28.7395 176.3777 150 Q 4.2717 7.5422 121.8012 56.8926 29.1703 173.0601 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 1 T 8.16 4.28 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 2 S 8.31 4.43 0.00 4.09 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 3 K 8.53 4.02 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.49 7.81 4 K 8.13 3.78 0.00 1.85 1.81 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.53 7.81 5 K 7.96 4.07 0.00 1.78 2.02 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.73 4.44 0.00 1.89 1.91 0.00 3.20 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 7 Q 7.89 4.22 0.00 1.81 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.96 0.00 0.00 0.00 0.00 0.00 2.60 2.39 0.00 8 R 7.65 3.86 0.00 1.79 1.92 0.00 3.36 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 8.85 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 0.00 0.00 0.00 10 S 8.28 4.23 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.79 4.07 0.00 1.97 2.05 0.00 3.20 0.00 0.00 3.26 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.59 4.26 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 1.32 0.00 0.00 13 H 8.41 4.58 0.00 3.25 3.36 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.26 3.93 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 0.00 0.00 0.00 15 G 8.27 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 16 G 7.90 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 17 S 8.63 4.19 0.00 3.88 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 18 H 8.89 4.42 0.00 3.31 3.37 0.00 5.57 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 19 K 7.68 4.12 0.00 1.74 1.82 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.28 1.34 7.81 20 N 7.94 4.37 0.00 2.69 2.64 0.00 0.00 6.96 8.09 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 21 R 7.46 4.33 0.00 1.77 1.89 0.00 3.16 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 22 R 7.53 4.55 0.00 1.73 0.86 0.00 3.22 0.00 0.00 3.20 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 23 G 8.54 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.64 4.28 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 25 G 8.05 3.56 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 0.00 26 H 8.13 4.48 0.00 3.20 3.48 0.00 5.92 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.66 4.53 0.00 1.80 1.90 0.00 3.38 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 28 G 8.53 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 29 G 8.24 4.15 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 0.00 30 R 8.79 3.95 0.00 1.91 1.83 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 31 G 8.22 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 32 D 8.61 4.74 0.00 2.73 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 33 A 7.46 4.04 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 34 G 8.93 3.80 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 0.00 0.00 0.00 35 R 7.94 4.27 0.00 1.52 1.92 0.00 3.00 0.00 0.00 3.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 36 D 7.84 5.08 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 9.25 4.39 0.00 1.79 1.60 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.51 7.81 38 H 9.71 4.53 0.00 3.33 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.54 4.81 0.00 2.10 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 2.21 2.14 0.00 40 F 8.31 4.72 0.00 3.26 3.25 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 41 H 6.48 3.38 0.00 2.87 3.01 0.00 5.85 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 42 N 8.70 4.22 0.00 2.77 2.82 0.00 0.00 6.82 8.16 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 43 H 7.57 4.90 0.00 3.38 3.19 0.00 5.86 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 44 E 8.78 4.08 0.00 1.98 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 2.32 2.26 0.00 45 P 0.00 4.46 0.00 2.19 2.09 0.00 3.79 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 2.01 2.02 0.00 46 L 8.04 4.15 0.00 1.66 1.65 0.92 0.94 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 47 G 8.12 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 48 K 8.18 4.55 0.00 1.77 1.76 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.15 4.42 0.00 3.78 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 50 G 9.24 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 51 F 8.44 4.93 0.00 3.15 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.28 4.26 0.00 1.66 1.60 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.20 1.33 7.81 53 R 7.95 4.57 0.00 1.73 1.86 0.00 3.32 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.44 0.00 54 P 0.00 4.27 0.00 2.22 2.22 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 55 Q 8.99 3.89 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.97 4.37 0.00 1.86 1.90 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.42 7.81 57 V 7.89 4.23 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 0.84 0.00 0.00 0.94 0.00 0.00 58 Q 7.52 4.42 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.36 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 59 E 8.55 4.53 0.00 1.92 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 2.62 2.26 0.00 60 E 8.45 4.46 0.00 1.94 1.70 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 2.16 2.19 0.00 61 A 8.25 4.25 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.95 4.37 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 63 T 8.00 5.36 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 64 I 7.64 4.18 1.85 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 1.25 0.95 0.00 0.00 65 D 8.45 5.15 0.00 2.74 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 66 V 8.67 3.66 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 0.86 0.00 0.00 1.00 0.00 0.00 67 R 7.90 3.84 0.00 2.00 2.01 0.00 3.08 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 8.27 3.88 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 69 I 7.79 3.72 1.98 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 1.52 0.48 0.89 0.00 0.00 70 D 8.33 4.38 0.00 2.85 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 71 E 7.89 4.18 0.00 1.97 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 2.34 2.55 0.00 72 N 8.15 4.97 0.00 2.62 2.71 0.00 0.00 6.82 7.25 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 73 V 7.49 3.31 0.67 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 0.53 0.00 0.00 0.42 0.00 0.00 74 T 7.52 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 1.19 0.00 0.00 75 L 7.87 4.10 0.00 1.60 1.78 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.84 4.45 0.00 1.81 1.80 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.47 4.14 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 78 A 7.76 4.45 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 79 D 7.95 4.80 0.00 2.84 2.59 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 80 D 7.75 4.29 0.00 3.06 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.42 4.60 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 0.44 0.00 0.00 0.99 0.00 0.00 82 A 7.75 4.46 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 83 E 8.84 3.75 0.00 2.05 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 0.00 2.26 2.34 0.00 *89 F 7.68 4.50 0.00 3.02 3.25 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 90 R 9.02 4.86 0.00 1.81 1.83 0.00 3.22 0.00 0.00 3.45 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.61 4.46 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 0.68 0.00 0.00 0.95 0.00 0.00 92 D 8.77 4.57 0.00 2.78 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 93 V 8.60 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 0.86 0.00 0.00 1.00 0.00 0.00 94 R 7.39 3.85 0.00 2.13 2.03 0.00 3.22 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 95 D 8.42 4.62 0.00 2.74 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 96 V 8.72 4.04 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 0.74 0.00 0.00 0.93 0.00 0.00 97 V 7.55 3.69 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 0.87 0.00 0.00 0.96 0.00 0.00 98 E 8.59 4.19 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 99 E 8.77 3.97 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 100 A 7.51 4.22 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 0.00 101 D 8.25 4.76 0.00 2.68 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 0.00 102 D 8.11 4.70 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.33 4.63 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 0.00 104 D 8.52 4.46 0.00 2.52 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 0.00 105 Y 6.35 4.66 0.00 3.26 3.05 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 0.00 106 V 8.47 4.88 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 0.92 0.00 0.00 0.94 0.00 0.00 107 K 9.42 4.71 0.00 1.98 1.63 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.50 7.81 108 V 8.13 4.70 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 1.02 0.00 0.00 0.81 0.00 0.00 109 L 9.44 4.82 0.00 1.72 1.56 0.92 0.69 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 0.00 110 G 7.72 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.88 4.66 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 0.00 112 G 8.84 4.15 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 0.00 113 Q 8.08 4.45 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 114 V 7.96 4.37 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 0.93 0.00 0.00 0.94 0.00 0.00 115 R 8.57 4.56 0.00 1.61 1.80 0.00 3.18 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 116 H 7.76 4.93 0.00 3.05 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.89 4.78 0.00 1.92 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 2.36 2.39 0.00 118 L 8.58 5.02 0.00 1.61 1.58 0.95 0.71 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 0.00 119 T 8.76 4.85 4.41 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 1.23 0.00 0.00 120 L 8.53 5.18 0.00 1.83 1.82 1.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.81 5.77 1.94 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 1.17 1.39 1.02 0.00 0.00 122 A 8.68 4.93 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 0.00 123 D 8.73 4.46 0.00 2.79 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 0.00 124 D 7.10 4.47 0.00 2.46 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.79 5.45 0.00 2.87 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 0.00 126 S 8.29 4.77 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 0.00 127 E 9.24 4.01 0.00 2.05 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 0.00 2.42 2.43 0.00 128 G 8.34 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.23 4.11 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.95 3.73 0.00 1.98 1.93 0.00 3.17 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 131 E 8.40 3.93 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 132 K 7.78 3.96 0.00 1.99 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.61 7.81 133 V 8.34 3.71 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 1.05 0.00 0.00 1.04 0.00 0.00 134 E 7.76 4.72 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 135 G 8.12 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 0.00 136 A 7.60 4.48 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 0.00 137 G 8.51 3.81 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 0.00 0.00 0.00 138 G 7.41 4.48 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 0.00 139 S 8.86 5.00 0.00 3.81 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 0.00 140 V 8.13 4.45 1.63 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 -0.83 0.00 0.00 0.34 0.00 0.00 141 E 9.66 4.52 0.00 1.99 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 2.23 2.21 0.00 142 L 8.51 5.02 0.00 1.71 1.63 1.19 1.10 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 0.00 143 T 8.58 4.01 4.34 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 1.26 0.00 0.00 144 D 8.80 4.37 0.00 2.71 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 0.00 145 L 8.20 3.88 0.00 1.61 1.85 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.26 3.81 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 0.00 0.00 0.00 147 E 7.91 4.42 0.00 2.04 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 2.50 0.00 148 E 7.94 4.61 0.00 1.86 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 2.19 2.48 0.00 149 R 7.61 4.27 0.00 1.79 1.89 0.00 3.43 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 150 Q 7.54 4.27 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.