NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 G 4.0016 8.3549 109.7390 45.6272 0.0000 173.3680 8 R 4.1212 8.3179 117.3648 53.6010 32.4240 167.1830 9 V 3.3933 7.9109 125.8124 62.3669 32.7875 171.7890 10 T 4.2082 8.2655 117.7386 61.4190 70.9085 174.7718 11 N 4.2720 8.9134 120.0851 57.1290 38.5298 177.6318 12 Q 4.0311 8.0226 118.6454 58.9957 29.0251 178.3982 13 L 4.1850 7.7866 119.0056 57.4347 41.5812 179.6093 14 Q 4.0245 8.2904 118.3711 59.2524 28.7407 177.9314 15 Y 4.0008 8.3166 120.5756 60.9306 38.1216 178.3410 16 L 4.1588 8.3114 119.7750 57.7037 41.4401 178.9402 17 H 4.3573 8.0988 117.7561 59.3510 30.1168 177.2246 18 K 4.0521 8.6113 119.2248 58.2393 32.2501 178.2132 19 V 3.9613 7.4789 117.0549 64.3838 32.4697 177.6017 20 V 3.4457 6.6788 110.8256 64.1196 30.8793 177.3969 *22 K 4.2110 8.0011 119.5280 56.6050 33.7072 177.5703 23 A 3.9323 8.0740 120.5331 55.2540 18.8169 178.9651 24 L 4.2543 8.3602 115.9985 57.6308 42.0747 179.1061 25 W 4.3642 8.6846 127.3382 60.2152 30.4666 176.4592 26 K 4.3387 7.6078 113.6872 56.9739 32.8887 176.3394 27 H 4.3640 8.0356 121.1866 55.8807 30.3319 176.1276 28 Q 4.1618 8.2029 122.8772 58.8137 28.5916 176.9835 29 F 5.0531 8.3911 115.0322 57.9478 39.4886 176.8095 30 A 4.3754 8.3545 124.5216 54.1802 17.7632 179.6608 31 W 4.1721 8.2431 115.4492 59.4847 27.7959 176.2698 32 P 3.9134 0.0000 0.0000 63.4681 29.3622 177.1315 33 F 4.6078 8.0525 115.9386 57.1960 39.8198 177.0707 34 R 4.2306 7.5721 117.5689 57.1006 30.1727 176.0331 35 Q 4.7645 6.7917 113.3104 53.1939 31.8940 172.9590 36 P 4.1865 0.0000 0.0000 62.4963 31.8455 176.7191 37 V 3.1445 8.1612 121.4470 63.5458 31.6114 175.8092 38 D 4.5530 8.2405 126.4439 52.7204 41.1566 176.2246 39 A 3.8111 8.1502 129.6626 54.5614 18.4117 179.2112 40 V 3.4506 7.7274 116.5327 66.0687 31.5870 177.8169 41 K 3.8609 7.9093 117.8929 59.4694 32.1391 177.8410 42 L 4.3379 7.9176 115.7227 53.7624 42.5131 176.4889 43 G 3.8515 7.9017 106.4775 47.2457 0.0000 175.0517 44 L 4.9417 8.1266 116.4961 52.4474 42.1834 176.6671 45 P 4.3747 0.0000 0.0000 65.3491 32.1260 178.0977 46 D 4.5981 8.1759 117.2876 54.6781 40.2556 177.4465 47 Y 3.4457 8.2477 121.9874 61.2653 38.5257 177.5921 48 H 4.4680 7.9890 115.4017 57.2424 29.0220 177.3956 49 K 4.1246 7.9871 119.9274 59.1407 32.0104 178.4700 50 I 4.2107 7.3079 118.7153 61.8189 37.8850 176.0614 51 I 4.1169 7.2739 122.3484 59.7089 37.3926 176.2482 52 K 4.3801 8.4591 124.8418 56.7762 33.0339 176.9758 53 Q 4.4235 7.5014 118.9600 52.6595 28.5981 172.1693 54 P 4.4914 0.0000 0.0000 62.0795 33.6857 177.1874 *56 D 4.5400 7.9936 117.7331 53.5181 40.1597 177.7834 *58 G 3.9613 8.7121 103.4652 45.8684 0.0000 174.1576 59 T 3.7223 8.2945 117.7527 66.4519 68.3410 176.7627 60 I 3.6470 7.4947 121.0691 63.9707 37.1071 178.4463 61 K 3.8140 7.8392 120.0670 59.3821 32.0197 178.5881 62 R 3.8922 8.1406 119.2939 59.5502 29.9749 178.4707 63 R 3.6640 7.8888 117.8686 59.4213 29.7674 179.1067 64 L 4.1776 8.0913 117.6438 57.6788 41.5955 179.0646 65 E 4.1603 7.7633 117.8586 58.5936 29.5332 177.7969 66 N 4.7611 8.0698 114.0910 51.8262 39.2536 174.6505 67 N 4.2964 8.3043 115.8168 54.5020 36.3514 175.0453 68 Y 4.0615 8.0923 119.9219 60.2062 39.3365 175.3610 69 Y 4.5227 7.7225 116.6617 57.0706 39.0963 175.2734 70 W 4.7412 8.7195 123.5412 58.3694 30.1077 176.6928 71 A 4.8592 7.9312 118.5924 49.7253 21.7740 176.1955 72 A 4.0199 8.8674 122.9822 55.4177 18.4630 180.5589 73 S 4.2004 8.0954 108.5841 61.0617 63.2870 175.2312 74 E 4.1540 8.1617 121.8174 58.9136 29.8135 178.6732 75 C 3.4274 7.0846 116.1512 59.6803 31.1583 175.0724 *77 Q 4.3577 8.2284 118.6899 55.6738 30.3373 177.3443 78 D 4.2676 7.9050 116.5366 57.3624 40.8703 178.3081 79 F 3.8026 7.4850 116.7747 60.5808 39.1246 176.9123 80 N 4.6303 8.1718 115.6999 57.0253 38.7727 178.0076 81 T 4.0555 8.1365 115.4618 63.9781 68.5320 176.2071 *83 F 4.6073 8.0444 121.3570 57.9618 41.1255 177.6602 84 T 4.0316 8.3926 117.4703 66.6776 68.0921 176.0450 85 N 4.2424 8.5665 118.8627 56.7726 38.7638 176.9210 86 C 4.2234 7.9063 118.9994 62.8851 31.6953 175.0796 87 Y 4.4457 7.5600 118.3182 60.9992 37.1717 178.6379 88 I 3.8152 7.9923 120.4193 64.5134 37.3862 177.5759 89 Y 4.1219 8.1807 119.3427 59.8678 39.0375 175.9696 90 N 4.5350 7.3380 115.0924 52.0901 39.8645 175.2352 91 K 4.1338 8.5382 120.3542 55.7276 32.7061 176.7745 92 P 4.2848 0.0000 0.0000 65.7774 31.3027 177.4126 93 T 4.2716 7.6949 105.2385 61.9816 69.7148 174.7165 94 D 4.5005 8.0013 124.2081 54.2798 41.5326 176.9206 95 D 4.3367 8.8985 123.3250 57.5316 41.1104 178.6191 96 I 3.5539 7.8489 117.7015 64.0750 38.2854 176.9654 97 V 3.9716 7.9308 119.5335 66.0937 31.7590 178.9486 98 L 4.3131 7.7052 117.5924 55.1421 40.8879 178.9163 *100 A 4.1690 8.1639 123.6027 52.4004 20.5560 179.9557 101 Q 4.2573 8.3418 116.2112 58.8633 28.4618 179.3952 102 T 3.9261 7.9312 116.3734 66.6196 68.5952 176.9397 103 L 3.9053 7.7954 120.4692 57.7144 41.6449 179.0507 104 E 3.1797 7.9116 119.6121 58.6181 29.3428 179.0017 105 K 3.9279 7.8909 118.8098 59.3369 32.0494 179.3272 106 I 3.6523 7.4358 120.0368 64.2365 36.9590 177.8808 107 F 4.0589 8.1263 121.5058 61.6752 39.1228 177.3669 108 L 3.6406 8.1276 118.2512 57.5032 41.1786 179.1980 109 Q 3.9657 8.1199 117.5779 59.2289 28.9569 179.2540 110 K 4.1922 8.1110 119.1931 59.4614 31.8961 179.7308 111 V 3.4913 7.6997 117.4161 65.4264 31.3810 177.5343 112 A 4.2210 7.7712 119.8539 53.0965 18.1351 177.1078 113 S 4.3199 7.6096 113.7130 56.0761 63.9876 171.9073 *115 P 4.0342 0.0000 0.0000 61.8286 32.1329 176.1185 116 Q 4.0807 8.2255 119.7603 55.6972 29.5486 175.7571 117 E 4.0761 8.3189 120.2991 57.0091 30.5871 176.4929 118 E 4.0526 8.6627 119.4445 56.8023 30.4820 174.0101 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 7 G 8.35 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 0.00 0.00 0.00 8 R 8.32 4.12 0.00 1.87 1.97 0.00 3.50 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 1.53 1.63 0.00 9 V 7.91 3.39 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 1.02 0.00 0.00 10 T 8.27 4.21 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 1.26 0.00 0.00 11 N 8.91 4.27 0.00 2.76 2.98 0.00 0.00 6.97 8.02 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 12 Q 8.02 4.03 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 13 L 7.79 4.19 0.00 1.82 1.83 1.11 0.84 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 14 Q 8.29 4.02 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 15 Y 8.32 4.00 0.00 3.22 3.18 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 16 L 8.31 4.16 0.00 2.02 1.92 1.02 1.02 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 17 H 8.10 4.36 0.00 3.33 3.52 0.00 5.94 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 18 K 8.61 4.05 0.00 1.90 1.78 0.00 1.52 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.42 7.81 19 V 7.48 3.96 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 0.00 0.00 0.70 0.00 0.00 0.60 0.00 0.00 20 V 6.68 3.45 2.26 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 0.67 0.00 0.00 0.90 0.00 0.00 *22 K 8.00 4.21 0.00 1.89 1.98 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 23 A 8.07 3.93 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 24 L 8.36 4.25 0.00 1.99 1.91 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.68 4.36 0.00 3.43 3.23 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 26 K 7.61 4.34 0.00 1.90 2.04 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.78 1.42 7.81 27 H 8.04 4.36 0.00 3.46 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.20 4.16 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 1.80 1.96 0.00 29 F 8.39 5.05 0.00 3.07 3.11 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 30 A 8.35 4.38 1.46 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 0.00 0.00 31 W 8.24 4.17 0.00 3.60 3.34 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 32 P 0.00 3.91 0.00 0.64 1.20 0.00 3.06 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.44 0.00 33 F 8.05 4.61 0.00 3.17 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 34 R 7.57 4.23 0.00 1.80 1.81 0.00 2.69 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.41 0.00 35 Q 6.79 4.76 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 36 P 0.00 4.19 0.00 2.02 2.01 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 37 V 8.16 3.14 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 -0.16 0.00 0.00 0.55 0.00 0.00 38 D 8.24 4.55 0.00 2.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 3.81 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 40 V 7.73 3.45 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 1.01 0.00 0.00 0.92 0.00 0.00 41 K 7.91 3.86 0.00 1.90 1.95 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 42 L 7.92 4.34 0.00 1.55 1.64 0.74 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.90 3.85 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 0.00 44 L 8.13 4.94 0.00 1.78 1.54 1.06 0.66 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 45 P 0.00 4.37 0.00 2.21 2.22 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 46 D 8.18 4.60 0.00 3.07 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 47 Y 8.25 3.45 0.00 2.74 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 48 H 7.99 4.47 0.00 3.20 3.34 0.00 5.81 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 49 K 7.99 4.12 0.00 1.82 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.50 7.81 50 I 7.31 4.21 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.40 0.96 0.00 0.00 51 I 7.27 4.12 0.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.69 0.80 0.00 0.00 52 K 8.46 4.38 0.00 1.71 1.83 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.33 7.81 53 Q 7.50 4.42 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 54 P 0.00 4.49 0.00 2.12 2.15 0.00 3.77 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 2.10 2.23 0.00 *56 D 7.99 4.54 0.00 3.11 2.31 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 *58 G 8.71 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.29 3.72 4.33 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 1.02 0.00 0.00 60 I 7.49 3.65 1.52 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.62 0.58 0.00 0.00 61 K 7.84 3.81 0.00 1.59 1.65 0.00 0.76 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.25 1.21 7.81 62 R 8.14 3.89 0.00 1.82 2.00 0.00 3.09 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 63 R 7.89 3.66 0.00 1.74 1.07 0.00 2.70 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.38 0.00 64 L 8.09 4.18 0.00 1.63 1.57 1.06 1.16 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 65 E 7.76 4.16 0.00 2.07 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 2.33 2.33 0.00 66 N 8.07 4.76 0.00 2.67 2.83 0.00 0.00 7.18 7.79 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 67 N 8.30 4.30 0.00 2.89 2.95 0.00 0.00 7.01 7.46 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 68 Y 8.09 4.06 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 69 Y 7.72 4.52 0.00 3.12 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 70 W 8.72 4.74 0.00 3.32 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.93 4.86 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 72 A 8.87 4.02 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 73 S 8.10 4.20 0.00 4.03 4.07 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 74 E 8.16 4.15 0.00 2.09 2.25 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 2.66 2.36 0.00 75 C 7.08 3.43 0.00 1.55 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 *77 Q 8.23 4.36 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.68 0.00 0.00 0.00 0.00 0.00 2.62 2.38 0.00 78 D 7.90 4.27 0.00 2.68 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 79 F 7.49 3.80 0.00 2.65 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.17 4.63 0.00 2.97 3.06 0.00 0.00 7.13 7.22 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 81 T 8.14 4.06 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 *83 F 8.04 4.61 0.00 3.17 2.83 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 84 T 8.39 4.03 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 1.31 0.00 0.00 85 N 8.57 4.24 0.00 2.69 2.93 0.00 0.00 6.69 7.69 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 86 C 7.91 4.22 0.00 3.12 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 87 Y 7.56 4.45 0.00 3.15 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 88 I 7.99 3.82 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.94 0.00 0.00 89 Y 8.18 4.12 0.00 2.84 3.19 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 90 N 7.34 4.53 0.00 3.04 2.91 0.00 0.00 7.13 6.92 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 91 K 8.54 4.13 0.00 2.10 1.70 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.33 7.81 92 P 0.00 4.28 0.00 2.03 2.13 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 2.02 2.09 0.00 93 T 7.69 4.27 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 1.21 0.00 0.00 94 D 8.00 4.50 0.00 2.88 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.90 4.34 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.55 1.74 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.98 0.00 0.00 97 V 7.93 3.97 2.32 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 1.12 0.00 0.00 1.14 0.00 0.00 98 L 7.71 4.31 0.00 1.90 1.59 0.93 1.20 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 *100 A 8.16 4.17 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 0.00 101 Q 8.34 4.26 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.60 0.00 102 T 7.93 3.93 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 1.28 0.00 0.00 103 L 7.80 3.91 0.00 1.75 1.82 0.80 0.77 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 0.00 104 E 7.91 3.18 0.00 1.16 1.55 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 2.22 2.02 0.00 105 K 7.89 3.93 0.00 1.95 1.81 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.57 7.81 106 I 7.44 3.65 2.00 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 1.40 0.56 0.92 0.00 0.00 107 F 8.13 4.06 0.00 2.99 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.13 3.64 0.00 1.81 1.62 0.99 0.84 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 0.00 109 Q 8.12 3.97 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 110 K 8.11 4.19 0.00 1.71 1.89 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.54 7.81 111 V 7.70 3.49 1.60 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 0.58 0.00 0.00 0.45 0.00 0.00 112 A 7.77 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 0.00 113 S 7.61 4.32 0.00 3.92 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 *115 P 0.00 4.03 0.00 2.13 2.02 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 116 Q 8.23 4.08 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 117 E 8.32 4.08 0.00 2.12 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 0.00 2.26 2.29 0.00 118 E 8.66 4.05 0.00 2.13 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 2.17 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.