NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.3074 8.1749 110.9491 61.7660 69.8187 173.5641 -4 E 5.2862 8.7061 120.8600 55.7065 31.4087 174.0460 -3 F 4.8964 9.5873 120.1028 55.1097 40.7646 175.6312 -2 K 3.9534 7.9699 120.0435 53.7417 35.7997 176.1282 -1 A 3.8199 7.7905 124.2933 52.3467 19.2812 177.4591 -4 G 4.8962 8.6161 109.4600 44.2065 0.0000 172.3460 -3 S 4.7464 9.5973 115.5028 55.7097 64.9646 174.4312 -2 A 3.9534 7.9199 123.4435 50.0417 21.7997 177.3282 -1 K 3.8199 7.8405 120.8933 56.0467 33.2812 176.2591 5 K 4.1644 8.0315 119.3437 59.4260 32.2409 178.9331 6 G 3.6435 7.9912 105.3979 47.6757 0.0000 175.4018 7 A 2.5800 7.3710 122.7864 54.4513 18.3786 179.4003 8 T 4.0047 7.5872 107.0815 63.9194 69.1410 177.0159 9 L 4.0235 7.4785 123.6319 57.0328 41.5831 178.6699 10 F 3.8045 8.0808 120.6000 61.4052 39.0969 177.3078 11 K 4.0180 7.9356 116.6586 59.7176 32.3116 179.1138 12 T 4.1360 8.0812 109.5851 63.5433 68.7441 176.3363 13 R 4.5841 8.4539 118.2246 55.6681 32.8007 175.9356 14 C 4.2935 7.2140 113.8423 60.0647 30.4256 175.6471 15 L 4.0669 7.5033 121.7818 57.9429 41.7984 178.5400 16 Q 3.9917 8.0327 118.4296 58.8727 29.0190 176.5466 17 C 4.8739 8.1126 112.0549 59.3624 30.6661 173.5421 18 H 5.3325 7.9331 114.7541 54.2671 32.9643 172.5119 19 T 4.9095 8.5573 109.4917 60.0852 72.1588 174.3310 20 F 4.8582 7.4197 114.1873 55.9831 39.6135 174.8234 21 D 4.6479 6.9653 121.7500 52.6564 40.1388 175.2832 22 Q 3.9948 8.0786 119.5139 57.1630 29.2195 176.4199 23 G 3.8645 9.0086 110.4533 45.1416 0.0000 173.2288 24 G 4.2374 7.7023 107.3881 43.9570 0.0000 173.8051 25 A 4.5177 8.1009 125.2655 50.4731 20.3435 177.1210 26 N 4.7212 8.4284 117.6289 53.4148 40.2630 175.2116 27 K 4.5684 8.3775 123.5324 55.4739 32.9996 178.7253 28 V 3.7203 8.9056 124.9164 66.0852 31.6288 176.1007 29 G 3.8422 8.1477 108.2094 42.3405 0.0000 171.0448 30 P 4.2339 0.0000 0.0000 61.6280 31.9403 175.7523 31 N 4.4029 9.4317 119.7100 53.8877 39.3396 174.9750 32 L 4.2615 8.6010 124.4206 54.9401 42.1874 176.2058 33 H 4.3147 7.5962 119.3677 56.8950 30.0240 174.9120 34 G 3.9277 9.2193 115.5937 46.6111 0.0000 174.8842 35 I 3.6841 7.4316 122.4199 63.1699 38.1706 176.0623 36 F 4.6752 7.8204 119.6347 58.6564 38.8989 175.5778 37 G 3.9308 10.1912 116.0017 45.0531 0.0000 172.9427 38 R 4.4272 7.7475 120.6583 55.8514 32.4120 174.5661 39 H 5.0345 8.4536 118.5438 53.7563 31.0668 175.1453 40 S 4.3985 8.5062 115.0982 58.5804 63.9272 173.8838 41 G 2.2867 7.9536 106.5384 46.8706 0.0000 174.4295 42 Q 4.5087 7.9345 114.3919 54.7159 30.3571 175.7170 43 A 4.1917 8.7163 123.5686 51.7289 18.7735 177.4647 44 E 3.9628 8.9022 123.2690 58.1630 29.7761 177.6782 45 G 3.9502 9.0894 111.3673 45.6970 0.0000 171.9960 46 Y 4.5035 7.6087 120.2983 55.6832 40.4315 176.1048 47 S 4.3640 6.9506 121.6008 57.0843 60.9430 173.0474 48 Y 4.6669 8.1765 123.9100 56.8514 39.1678 175.7678 49 T 4.4472 8.4005 111.5138 61.2566 71.3306 175.4021 50 D 4.3498 8.5904 120.9523 57.3007 40.7282 178.5452 51 A 4.0003 8.1324 120.9131 55.3859 18.0723 178.9430 52 N 4.3167 8.0442 113.5423 57.0235 39.3017 176.4350 53 I 3.6755 7.4395 121.1255 64.8522 37.0902 178.5957 54 K 3.9440 8.0594 117.7192 59.1789 31.8935 179.1248 55 K 3.9024 7.6778 119.5886 57.1099 32.3191 175.9743 56 N 3.9818 7.7423 116.1477 53.5949 38.1526 174.0801 57 V 3.3580 7.0475 115.3485 62.9219 32.6514 174.3532 58 L 4.3438 8.0240 129.1847 53.8521 43.0997 175.4602 59 W 5.0492 9.2480 127.0804 55.6976 30.8729 175.2133 60 D 5.3713 8.7913 123.2192 51.6536 42.8131 176.2810 61 E 3.8954 8.7697 117.1737 59.2601 29.4933 179.2018 62 N 4.6313 9.0638 116.1237 55.3485 39.5371 177.3797 63 N 4.3652 8.6352 115.9575 56.3550 38.7248 176.7203 64 M 4.1553 8.1396 119.2953 58.9011 32.1433 178.2178 65 S 4.1316 7.7325 111.7255 61.3818 62.6092 175.6349 66 E 4.1089 8.0335 120.4780 59.3024 28.9272 178.3655 67 Y 3.9802 8.2149 120.7914 60.6090 38.9371 178.0119 68 L 4.0685 8.6598 119.4218 56.9250 41.5266 179.7032 69 T 4.2558 7.3965 117.8313 64.9327 69.1999 173.9142 70 N 4.8657 7.8217 120.1277 51.9672 40.3537 172.4756 71 P 4.0476 0.0000 0.0000 63.0989 32.2142 178.0975 *73 K 4.2288 8.1001 120.7361 56.7719 33.7822 176.4949 74 Y 4.3080 8.5252 118.4689 60.2724 38.8881 176.2602 75 I 4.4333 8.2551 124.6141 58.3308 37.7244 171.7334 76 P 4.4974 0.0000 0.0000 63.3795 31.6922 176.9258 77 G 4.1269 9.0707 110.7582 45.3904 0.0000 173.5838 78 T 4.2262 7.5726 114.4328 61.7536 67.8463 174.3857 79 K 4.2472 8.5750 125.3701 57.6526 33.5760 176.1608 80 M 3.9910 8.2193 119.2689 56.2603 32.4266 176.4733 81 A 4.5572 8.4281 134.5510 51.7329 18.5399 176.7180 82 F 4.8058 7.7790 122.9700 56.1356 42.1141 175.1672 83 G 3.3008 7.6766 116.7361 46.3312 0.0000 173.8044 84 G 4.1249 5.6221 105.2988 45.6197 0.0000 173.6394 85 L 4.5635 9.1747 121.5031 52.6201 41.5801 177.9196 86 K 3.9568 8.6948 123.4187 59.2776 32.4440 178.7310 87 K 4.2119 7.9129 119.1254 55.6203 32.9844 177.2253 88 E 3.9833 8.9771 125.5714 59.2716 29.5604 178.7419 89 K 3.8842 8.1125 118.1926 60.3464 32.4457 178.5775 90 D 4.3762 8.0709 119.5905 57.1420 40.7574 178.8839 91 R 4.0349 8.0517 118.5196 59.2162 30.0403 178.9424 92 N 4.5312 9.0776 117.0427 56.4001 38.5908 176.8696 93 D 4.5083 8.1495 120.2688 57.5426 40.9699 178.7183 94 L 4.0634 8.0240 120.3281 58.5346 42.2458 179.2399 95 I 3.8856 8.2111 119.5046 64.1115 36.7838 178.7351 96 T 3.9282 8.0258 117.1575 66.8090 68.3158 175.9960 97 Y 3.9438 8.0827 121.3201 60.7410 38.7264 178.1264 98 L 3.5918 8.1378 119.8911 57.5360 41.4850 179.2817 99 K 3.4806 7.5566 118.3461 59.1673 32.1126 178.3148 100 K 4.0574 7.3730 117.0407 59.1002 33.0944 178.5175 101 A 3.7502 7.8972 121.6798 54.3101 18.3386 178.3469 102 C 4.5308 8.3901 114.1194 59.9459 28.0638 173.6449 103 E 4.1253 7.8158 127.2128 56.2213 29.3292 175.4938 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 -5 T 8.17 4.31 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 1.39 0.00 0.00 -4 E 8.71 5.29 0.00 2.02 1.92 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 2.16 2.41 0.00 -3 F 9.59 4.90 0.00 3.15 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 -2 K 7.97 3.95 0.00 1.49 1.44 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.30 7.81 -1 A 7.79 3.82 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 -4 G 8.62 4.90 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 -3 S 9.60 4.75 0.00 3.90 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 -2 A 7.92 3.95 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 -1 K 7.84 3.82 0.00 1.55 1.45 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.35 7.81 5 K 8.03 4.16 0.00 1.86 1.93 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.56 7.81 6 G 7.99 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 7 A 7.37 2.58 0.53 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 8 T 7.59 4.00 4.21 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 1.16 0.00 0.00 9 L 7.48 4.02 0.00 2.03 1.76 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.08 3.80 0.00 3.13 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 11 K 7.94 4.02 0.00 1.79 1.89 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.75 7.81 12 T 8.08 4.14 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 1.23 0.00 0.00 13 R 8.45 4.58 0.00 1.41 1.99 0.00 3.30 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 14 C 7.21 4.29 0.00 1.23 2.23 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 15 L 7.50 4.07 0.00 1.80 1.78 1.15 0.95 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 16 Q 8.03 3.99 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 17 C 8.11 4.87 0.00 2.72 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 18 H 7.93 5.33 0.00 3.01 3.27 0.00 5.60 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 19 T 8.56 4.91 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 1.17 0.00 0.00 20 F 7.42 4.86 0.00 3.06 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 21 D 6.97 4.65 0.00 2.75 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 22 Q 8.08 3.99 0.00 1.84 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.84 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 23 G 9.01 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 0.00 0.00 0.00 24 G 7.70 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 0.00 0.00 0.00 0.00 25 A 8.10 4.52 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 26 N 8.43 4.72 0.00 2.82 2.93 0.00 0.00 6.72 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.38 4.57 0.00 1.81 1.23 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.48 7.81 28 V 8.91 3.72 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 0.79 0.00 0.00 0.93 0.00 0.00 29 G 8.15 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 30 P 0.00 4.23 0.00 1.90 0.95 0.00 3.48 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.33 0.00 31 N 9.43 4.40 0.00 2.80 2.85 0.00 0.00 7.16 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 32 L 8.60 4.26 0.00 1.91 1.57 0.82 0.54 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 33 H 7.60 4.31 0.00 3.33 3.25 0.00 5.92 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 34 G 9.22 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 35 I 7.43 3.68 1.75 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 0.57 0.72 0.31 0.00 0.00 36 F 7.82 4.68 0.00 3.11 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 37 G 10.19 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 38 R 7.75 4.43 0.00 2.17 1.98 0.00 3.12 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 39 H 8.45 5.03 0.00 2.97 3.10 0.00 5.95 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 40 S 8.51 4.40 0.00 4.13 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 41 G 7.95 2.29 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 0.00 42 Q 7.93 4.51 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 43 A 8.72 4.19 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 44 E 8.90 3.96 0.00 2.02 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 2.37 2.31 0.00 45 G 9.09 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 46 Y 7.61 4.50 0.00 2.71 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 47 S 6.95 4.36 0.00 3.64 3.39 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 48 Y 8.18 4.67 0.00 3.06 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 49 T 8.40 4.45 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 1.37 0.00 0.00 50 D 8.59 4.35 0.00 2.77 2.77 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 51 A 8.13 4.00 1.44 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 0.00 0.00 0.00 52 N 8.04 4.32 0.00 2.97 3.05 0.00 0.00 7.32 7.67 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 53 I 7.44 3.68 2.15 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 1.37 0.58 0.88 0.00 0.00 54 K 8.06 3.94 0.00 1.69 1.84 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.63 7.81 55 K 7.68 3.90 0.00 1.72 1.90 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.34 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.24 1.26 7.81 56 N 7.74 3.98 0.00 2.66 2.70 0.00 0.00 7.14 7.62 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 57 V 7.05 3.36 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 -0.02 0.00 0.00 0.53 0.00 0.00 58 L 8.02 4.34 0.00 1.40 1.40 0.59 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 W 9.25 5.05 0.00 3.37 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 60 D 8.79 5.37 0.00 2.80 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 61 E 8.77 3.90 0.00 1.36 1.12 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 1.47 1.47 0.00 62 N 9.06 4.63 0.00 2.76 2.93 0.00 0.00 6.96 6.81 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 63 N 8.64 4.37 0.00 3.16 3.03 0.00 0.00 6.79 7.66 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 64 M 8.14 4.16 0.00 2.46 2.37 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 65 S 7.73 4.13 0.00 4.11 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 66 E 8.03 4.11 0.00 2.18 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 2.18 2.03 0.00 67 Y 8.21 3.98 0.00 3.04 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 68 L 8.66 4.07 0.00 1.70 1.72 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.40 4.26 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 70 N 7.82 4.87 0.00 2.73 2.69 0.00 0.00 7.27 7.59 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 71 P 0.00 4.05 0.00 2.33 1.82 0.00 3.60 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.87 0.00 *73 K 8.10 4.23 0.00 2.11 2.05 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.43 7.81 74 Y 8.53 4.31 0.00 3.13 3.55 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 I 8.26 4.43 2.15 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.75 1.02 0.00 0.00 76 P 0.00 4.50 0.00 2.06 2.03 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 77 G 9.07 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 0.00 0.00 0.00 0.00 78 T 7.57 4.23 4.56 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 1.48 0.00 0.00 79 K 8.57 4.25 0.00 1.97 1.99 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.49 7.81 80 M 8.22 3.99 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.70 0.00 81 A 8.43 4.56 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 82 F 7.78 4.81 0.00 2.96 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 83 G 7.68 3.30 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 0.00 84 G 5.62 4.12 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 0.00 0.00 0.00 85 L 9.17 4.56 0.00 1.78 1.71 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.69 3.96 0.00 1.74 1.88 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.44 7.81 87 K 7.91 4.21 0.00 1.96 1.76 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.50 7.81 88 E 8.98 3.98 0.00 2.06 1.98 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 2.42 2.43 0.00 89 K 8.11 3.88 0.00 2.03 2.08 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.56 7.81 90 D 8.07 4.38 0.00 2.94 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 91 R 8.05 4.03 0.00 2.04 2.05 0.00 3.24 0.00 0.00 3.45 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 92 N 9.08 4.53 0.00 2.87 3.09 0.00 0.00 6.98 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 93 D 8.15 4.51 0.00 2.91 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 94 L 8.02 4.06 0.00 1.83 1.73 1.20 0.98 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 95 I 8.21 3.89 1.98 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 0.89 0.61 0.00 0.00 96 T 8.03 3.93 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 1.26 0.00 0.00 97 Y 8.08 3.94 0.00 3.19 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 98 L 8.14 3.59 0.00 1.93 1.86 0.96 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.56 3.48 0.00 1.33 1.95 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.15 1.19 7.81 100 K 7.37 4.06 0.00 1.77 1.79 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.18 7.81 101 A 7.90 3.75 -0.15 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 0.00 102 C 8.39 4.53 0.00 3.04 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 0.00 103 E 7.82 4.13 0.00 1.83 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 2.19 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.