NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7354 8.3244 115.8486 56.2402 39.1813 174.0557 3 E 3.9157 8.7061 123.5085 55.2142 29.8891 175.2830 4 R 4.1818 9.3487 127.2508 57.6256 31.6314 175.8404 5 F 4.1148 8.8946 119.9955 57.0313 37.5866 175.4332 6 D 4.4683 8.0795 119.6812 54.1385 41.4103 176.8986 7 S 4.1567 8.7408 121.4786 60.9177 63.0865 174.5013 8 D 4.6224 8.9632 120.3554 54.3336 40.4462 175.4255 9 R 4.6543 7.3077 117.6144 53.7824 33.8947 174.9533 10 S 4.1276 8.2325 114.5962 58.6208 63.8646 173.9115 11 R 4.8066 7.7036 122.4898 54.5006 32.7303 174.6479 12 Y 5.0903 9.5604 119.3186 56.3720 42.9283 173.8278 13 A 5.5271 8.7615 122.7183 50.0259 21.7290 176.5918 14 S 4.3379 9.0066 116.6535 57.9389 64.3591 175.2885 15 L 4.0697 8.7727 122.3101 58.3021 41.5801 179.3353 16 G 3.6370 7.7922 104.9589 47.8449 0.0000 175.4942 17 V 3.7473 7.8389 120.5535 65.5652 31.4032 178.3779 18 V 3.6732 8.1216 117.6831 65.1299 31.3244 177.0520 19 S 4.6895 7.7002 112.0994 58.3127 63.2483 174.6992 20 S 4.6408 7.7997 117.2066 58.2058 65.2568 173.9416 21 L 4.4560 7.5901 118.9766 51.5130 44.2707 175.1228 22 P 4.3833 0.0000 0.0000 62.4266 33.4349 177.3384 23 S 4.0968 8.7000 116.8279 62.0894 62.8574 177.1378 24 G 3.7765 8.0456 107.4529 48.1370 0.0000 175.1615 25 L 3.2995 6.7495 120.8320 57.1899 42.3203 178.6588 26 I 3.6509 7.2992 119.8725 64.4410 37.0135 178.0656 27 D 4.6269 8.5623 119.9572 57.5392 40.5505 179.2175 28 S 4.1541 7.8747 115.7473 61.3776 62.6979 176.5457 29 I 3.1331 7.2402 122.0608 64.0036 36.7017 178.2979 30 W 4.4233 7.6551 118.9865 60.1086 28.9057 178.5328 31 L 4.1284 8.3433 118.7836 57.5970 40.9314 179.7550 32 I 3.6869 8.2238 120.4257 64.2659 37.0226 178.4196 33 I 3.6090 7.9352 120.9305 64.6549 36.7693 178.3688 34 D 4.4869 8.3971 118.6259 56.8681 40.6825 178.0832 35 L 4.3830 8.0857 118.3810 56.0117 42.3777 177.7395 36 N 4.8932 8.2705 113.7174 53.0779 40.6005 175.0973 37 L 4.3158 7.5591 118.9236 56.0461 43.2682 176.4556 38 K 4.0537 8.3528 118.4825 58.1310 32.4205 177.9764 39 G 3.9907 9.0057 110.8681 45.5204 0.0000 173.5700 40 V 4.1811 8.0014 117.2132 63.7086 33.1059 175.4156 41 I 4.6829 7.2744 110.7484 57.7676 40.2929 173.2744 42 P 4.5104 0.0000 0.0000 62.7119 31.9504 175.6139 43 L 4.9635 8.0599 118.8284 52.6513 44.7159 176.4084 44 N 4.5382 9.7427 122.8456 53.7512 39.6061 174.3211 45 D 4.7313 8.6197 120.2698 54.5477 41.0105 175.2657 46 L 5.5024 8.2113 121.3521 53.4889 44.7075 175.3932 47 L 4.7399 9.6462 126.7444 53.2969 45.0734 174.9465 48 H 5.4669 8.3230 119.3779 54.2494 31.1126 173.6788 49 F 5.5457 9.5493 122.4040 55.8477 41.9739 174.0321 50 D 5.1860 9.4942 124.5950 53.4365 42.5784 175.8767 51 L 4.8994 9.2622 124.7817 53.9497 42.0088 176.0083 52 L 4.7564 9.2294 124.7651 52.6766 44.8556 175.7279 53 N 4.2964 8.1235 120.6450 53.0958 39.5313 174.3201 54 N 4.5946 9.0286 126.6353 52.2632 39.0372 173.1272 55 N 4.3031 9.4137 121.4888 54.5117 37.6612 174.7807 56 G 4.1052 8.7817 106.8239 44.7663 0.0000 174.6647 57 K 4.9242 7.7796 118.5689 54.7257 34.4138 175.0945 58 V 4.7273 8.6823 120.8892 62.7587 32.9998 174.7926 59 T 5.1023 9.2321 124.2633 61.7930 71.9781 173.0254 60 V 4.7784 8.6441 125.9013 61.8569 33.5879 173.8150 61 H 5.1180 9.2775 128.7916 54.9494 31.5100 173.2206 62 F 5.3008 8.7056 128.1589 56.7837 41.8638 174.3706 63 S 4.0936 7.6709 118.9842 57.2050 66.6222 172.1281 64 Q 4.3610 7.6260 115.6226 55.0457 31.1237 175.3762 65 E 3.8304 8.8314 121.1533 59.4336 29.7591 178.4474 66 N 4.9100 7.8470 113.3033 52.8507 39.1123 174.4289 67 S 4.6806 7.5689 110.5568 57.0492 65.7792 173.3931 68 S 4.6891 8.4875 115.5514 57.6425 63.3152 174.3111 69 V 4.0071 7.8363 121.1088 61.6696 32.0675 175.1593 70 E 4.9839 8.4252 119.5841 54.2205 33.6281 174.4012 *72 A 4.4272 8.2954 120.8548 52.2032 19.8577 176.1696 73 I 4.4577 8.9431 124.1437 59.6181 39.8331 175.1548 74 D 4.8732 8.8471 127.8800 54.2516 40.6630 175.9413 75 L 4.8992 8.7142 122.5268 52.2145 45.0622 176.2067 76 P 4.2334 0.0000 0.0000 64.9881 31.7482 177.3037 77 F 4.6147 7.0914 118.5768 57.2028 39.9161 175.3943 78 S 4.9551 8.8193 117.1176 58.3581 64.1053 173.0834 79 Y 4.6689 8.8452 123.4185 57.2791 40.0066 174.7127 80 S 4.1419 6.4502 117.3030 55.9154 65.3600 174.9284 81 T 3.7323 8.3710 116.9916 64.1626 68.2640 174.3529 82 A 4.4031 7.1340 122.6435 52.0419 19.5235 176.8983 83 Y 4.5606 7.1443 114.3657 56.7742 38.5065 174.4010 84 P 4.4724 0.0000 0.0000 62.8341 32.2271 176.7035 85 S 4.4279 8.6499 116.2451 61.5616 63.9793 174.4102 86 R 5.1727 7.6939 118.5478 54.8204 32.9880 174.2262 87 I 4.5830 9.1127 119.0860 59.1125 41.6079 173.9574 88 F 6.0312 9.0012 120.4366 55.9151 42.4142 174.3442 89 A 5.3276 9.1371 123.9483 50.3563 21.3331 175.3684 90 F 5.7699 10.1038 125.4450 56.5238 42.6066 173.2064 91 D 4.9313 8.9681 125.9589 52.0684 42.9513 175.0788 92 D 4.3306 8.1013 124.1012 52.8346 39.9310 175.4157 93 G 2.7087 7.6057 110.5985 45.6716 0.0000 174.4532 94 H 4.5809 8.9117 115.0088 56.1510 30.9775 174.6095 95 R 4.9049 7.9409 116.4549 54.2365 34.1098 174.4303 96 E 5.2339 9.0230 121.1558 55.0430 32.8714 175.2251 97 T 5.4497 9.7733 120.7877 62.0650 73.1761 172.7920 98 I 5.0162 9.2816 126.7773 59.8091 39.3840 174.9014 99 L 4.9794 9.0415 126.2451 54.8528 44.6557 174.0526 100 L 4.5528 9.6703 119.6244 53.2132 42.8661 176.4278 101 P 3.6203 0.0000 0.0000 65.6733 31.3743 177.5710 102 A 4.0603 7.8864 119.0285 54.9390 18.5128 177.1616 103 E 4.1850 8.4769 119.6945 56.7578 29.5479 176.4458 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 F 8.32 4.74 0.00 3.09 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 3 E 8.71 3.92 0.00 2.06 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 2.34 2.42 0.00 4 R 9.35 4.18 0.00 1.88 2.11 0.00 3.15 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.63 0.00 5 F 8.89 4.11 0.00 3.33 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.08 4.47 0.00 2.83 2.56 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 7 S 8.74 4.16 0.00 3.96 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 8 D 8.96 4.62 0.00 2.71 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 9 R 7.31 4.65 0.00 1.84 1.73 0.00 3.06 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 10 S 8.23 4.13 0.00 3.82 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.81 0.00 0.84 0.66 0.00 2.30 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 0.65 1.16 0.00 12 Y 9.56 5.09 0.00 2.96 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 13 A 8.76 5.53 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 14 S 9.01 4.34 0.00 4.09 4.09 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 15 L 8.77 4.07 0.00 1.79 1.72 0.93 0.94 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 16 G 7.79 3.64 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 0.00 0.00 0.00 17 V 7.84 3.75 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 0.92 0.00 0.00 0.89 0.00 0.00 18 V 8.12 3.67 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 0.92 0.00 0.00 1.00 0.00 0.00 19 S 7.70 4.69 0.00 4.08 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 20 S 7.80 4.64 0.00 3.79 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 21 L 7.59 4.46 0.00 1.37 1.14 0.68 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.38 0.00 2.09 2.13 0.00 3.31 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.02 0.00 23 S 8.70 4.10 0.00 3.85 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 24 G 8.05 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 6.75 3.30 0.00 0.91 1.32 0.55 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.30 3.65 1.97 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 1.37 0.93 0.91 0.00 0.00 27 D 8.56 4.63 0.00 2.86 2.80 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 28 S 7.87 4.15 0.00 4.12 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 29 I 7.24 3.13 1.39 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 -0.27 0.00 0.00 30 W 7.66 4.42 0.00 3.53 3.16 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 31 L 8.34 4.13 0.00 1.94 1.75 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.22 3.69 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.68 0.90 0.00 0.00 33 I 7.94 3.61 2.09 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.65 0.93 0.00 0.00 34 D 8.40 4.49 0.00 2.65 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 35 L 8.09 4.38 0.00 1.87 1.71 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.27 4.89 0.00 2.77 2.79 0.00 0.00 6.96 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.56 4.32 0.00 1.78 1.51 0.59 0.51 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 38 K 8.35 4.05 0.00 1.72 1.79 0.00 2.05 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.48 7.81 39 G 9.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.00 4.18 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 0.85 0.00 0.00 0.99 0.00 0.00 41 I 7.27 4.68 1.92 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 1.44 0.85 0.94 0.00 0.00 42 P 0.00 4.51 0.00 2.21 2.10 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 43 L 8.06 4.96 0.00 1.74 1.77 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 44 N 9.74 4.54 0.00 2.83 2.94 0.00 0.00 7.27 8.99 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 45 D 8.62 4.73 0.00 3.05 2.92 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 46 L 8.21 5.50 0.00 1.82 1.55 0.62 0.71 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 47 L 9.65 4.74 0.00 1.51 1.32 0.56 0.51 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 48 H 8.32 5.47 0.00 3.01 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.55 5.55 0.00 2.92 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 50 D 9.49 5.19 0.00 2.69 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 51 L 9.26 4.90 0.00 1.64 1.86 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 L 9.23 4.76 0.00 1.54 1.51 0.94 0.57 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 53 N 8.12 4.30 0.00 1.44 2.22 0.00 0.00 6.74 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 54 N 9.03 4.59 0.00 2.75 2.65 0.00 0.00 6.42 6.46 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 55 N 9.41 4.30 0.00 2.87 2.87 0.00 0.00 7.48 7.98 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 56 G 8.78 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.78 4.92 0.00 1.83 2.03 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.50 7.81 58 V 8.68 4.73 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 1.10 0.00 0.00 1.37 0.00 0.00 59 T 9.23 5.10 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 1.33 0.00 0.00 60 V 8.64 4.78 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 0.98 0.00 0.00 0.98 0.00 0.00 61 H 9.28 5.12 0.00 3.28 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.71 5.30 0.00 3.25 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 63 S 7.67 4.09 0.00 3.64 3.68 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 64 Q 7.63 4.36 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 65 E 8.83 3.83 0.00 1.85 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 0.00 2.26 2.36 0.00 66 N 7.85 4.91 0.00 2.72 2.79 0.00 0.00 6.57 7.57 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 67 S 7.57 4.68 0.00 3.79 3.64 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 68 S 8.49 4.69 0.00 3.96 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 69 V 7.84 4.01 2.13 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 0.87 0.00 0.00 1.01 0.00 0.00 70 E 8.43 4.98 0.00 1.94 1.77 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 2.13 2.25 0.00 *72 A 8.30 4.43 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 73 I 8.94 4.46 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.94 0.00 0.00 74 D 8.85 4.87 0.00 2.57 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 75 L 8.71 4.90 0.00 1.84 1.63 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.23 0.00 1.44 1.88 0.00 3.28 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 77 F 7.09 4.61 0.00 3.31 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 78 S 8.82 4.96 0.00 4.03 3.94 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 79 Y 8.85 4.67 0.00 3.16 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 80 S 6.45 4.14 0.00 2.96 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.37 3.73 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 1.25 0.00 0.00 82 A 7.13 4.40 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 83 Y 7.14 4.56 0.00 2.87 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 84 P 0.00 4.47 0.00 2.13 2.02 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 85 S 8.65 4.43 0.00 3.81 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 86 R 7.69 5.17 0.00 1.89 1.66 0.00 3.15 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.65 0.00 87 I 9.11 4.58 1.98 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.17 0.84 0.00 0.00 88 F 9.00 6.03 0.00 3.21 2.95 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 89 A 9.14 5.33 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 90 F 10.10 5.77 0.00 3.15 3.13 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 0.00 91 D 8.97 4.93 0.00 1.58 1.64 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 92 D 8.10 4.33 0.00 2.71 2.35 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 93 G 7.61 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 0.00 0.00 0.00 94 H 8.91 4.58 0.00 2.98 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.94 4.90 0.00 1.75 1.94 0.00 3.04 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.73 0.00 96 E 9.02 5.23 0.00 2.04 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 0.00 2.14 2.15 0.00 97 T 9.77 5.45 4.58 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 1.49 0.00 0.00 98 I 9.28 5.02 1.84 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 0.67 -0.20 0.75 0.00 0.00 99 L 9.04 4.98 0.00 1.89 1.88 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.67 4.55 0.00 1.62 1.52 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 3.62 0.00 1.81 1.75 0.00 3.45 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.21 0.00 102 A 7.89 4.06 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 0.00 103 E 8.48 4.19 0.00 2.14 1.90 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 2.34 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.