NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.6708 8.4444 117.3704 53.9544 29.5277 172.7193 7 R 4.0252 8.4276 125.3971 54.2747 31.0932 173.8368 8 L 4.3950 8.0622 124.6928 54.4727 43.1520 176.1842 9 S 4.2686 8.9672 121.4837 58.2334 62.8130 175.0272 10 A 4.0461 9.0321 130.4277 55.6604 18.0153 180.5930 11 E 4.0366 8.1068 116.5524 61.1741 29.9502 182.8718 12 E 4.1012 8.1675 119.6376 60.1321 29.5288 179.1463 13 R 3.8813 8.4890 117.7726 59.1201 29.8379 178.5308 14 D 4.3979 7.7921 119.6350 57.3926 41.0977 179.0974 15 Q 4.1994 7.7867 118.9502 58.5501 29.5281 177.5097 16 L 4.0868 7.8356 118.5340 57.8092 42.1058 179.0351 17 L 4.0949 8.1161 119.0400 57.4914 41.5166 177.9238 18 P 4.2019 0.0000 0.0000 66.0478 30.9411 177.6350 19 N 4.2882 8.2319 117.0871 55.5382 37.0108 176.8290 20 L 4.2943 8.1257 121.0791 57.1771 41.7233 179.3478 21 R 4.2539 8.2124 119.5701 58.9137 29.9492 178.2780 22 A 4.1299 8.2276 119.5654 54.2715 18.3104 178.9745 23 V 4.2583 6.7100 109.1287 61.2909 32.1643 176.6260 24 G 3.8457 7.7903 107.1076 44.9694 0.0000 174.9364 25 W 4.2445 8.8014 120.5078 56.9016 30.5450 175.0472 26 N 4.9349 8.6745 118.1863 51.9051 42.9349 173.4065 27 E 5.1293 8.6623 120.6337 55.4446 30.9831 176.2739 28 L 4.4182 8.6438 123.8284 54.7019 42.1696 177.0825 29 E 4.1105 8.9748 122.9985 59.0394 30.1672 178.0059 30 G 4.0230 8.2825 106.9682 48.0554 0.0000 172.7234 31 R 4.4571 7.3615 113.1181 54.5157 32.3222 173.9276 32 D 4.7437 8.4355 117.2657 53.7549 41.0850 175.3716 33 A 4.9698 7.8724 125.0958 51.0600 22.6447 174.3967 34 I 5.4841 8.6789 112.7614 59.4379 41.1262 174.5169 35 F 6.1578 8.8540 118.0179 54.9676 42.1051 172.9831 36 K 3.8589 7.8238 116.4532 55.2903 35.0140 173.1691 37 Q 4.9315 8.1793 127.4821 54.4342 30.9557 174.4539 38 F 4.4416 9.5658 125.6337 56.2346 41.4844 174.5582 39 H 5.1204 8.0185 118.1386 54.0399 31.5189 172.8297 40 F 4.9240 9.1324 121.1103 55.2319 42.1964 175.6871 41 K 4.1119 8.4529 121.1116 59.2116 32.2510 176.4761 42 D 4.6531 7.5314 116.4230 50.8947 43.8784 175.4988 43 F 4.1268 8.0223 121.3058 60.5387 39.3511 176.1326 44 N 4.1532 8.1972 116.5518 56.7552 38.6767 176.5753 45 R 3.7547 8.4293 119.8664 58.8239 30.0863 178.2969 46 A 2.8633 7.3493 120.5066 54.8525 18.3985 179.4239 47 F 3.5192 7.9279 119.6277 61.1114 39.4373 177.5929 48 G 3.4517 7.7651 105.0771 47.2875 0.0000 175.4788 49 F 4.0470 7.6000 122.8906 61.6140 39.3917 176.9852 50 M 3.5509 7.7597 118.2987 58.5461 31.4589 179.0771 51 T 3.6303 7.3849 115.6678 66.6632 68.5479 176.9657 52 R 3.9188 7.6733 119.5012 59.1629 29.9172 179.3881 53 V 3.7084 7.6078 117.4820 65.7569 31.5806 177.7331 54 A 3.9418 8.6205 120.9239 55.3212 18.1659 179.6201 55 L 3.8993 8.1749 117.4659 58.0174 41.6493 179.8256 56 Q 3.6092 7.6574 117.3033 58.6909 28.5053 178.3319 57 A 3.9662 8.2213 124.0975 54.6651 18.0570 179.6001 58 E 3.8317 7.8349 115.1145 59.4574 29.6687 178.8771 59 K 3.8746 7.5685 118.1868 59.4935 32.2482 177.8710 60 L 4.2063 7.9847 116.4726 53.6985 42.5898 175.7837 61 D 4.2586 7.9397 117.4981 55.2496 39.9684 173.2780 62 H 4.7229 7.5903 116.4808 54.6423 32.5714 171.1733 63 H 4.6710 8.3877 123.4798 53.0979 31.5746 171.8632 64 P 4.4361 0.0000 0.0000 62.2675 33.0832 175.5576 65 E 4.6576 8.5409 121.2590 54.8951 30.3953 175.0946 66 W 5.8378 9.0465 120.8010 54.6114 32.1922 174.5730 67 F 4.9515 9.8758 122.4012 56.7008 41.8859 172.6194 68 N 5.3090 8.4041 124.5447 51.8736 41.0313 174.5122 69 V 4.1355 8.1366 124.6995 61.5483 33.6401 177.2365 70 Y 3.7478 8.8089 132.5587 58.5476 38.1036 170.3913 71 N 4.7734 9.3850 114.9305 52.2371 38.5963 174.3610 72 K 5.1916 7.8740 117.9263 54.8797 36.0949 175.1615 73 V 5.0159 8.8506 123.4153 61.4846 34.6478 173.4002 74 H 5.4883 10.0931 129.0112 54.6908 32.0125 173.1234 75 I 5.4523 9.0064 126.3093 59.9765 40.8253 174.5010 76 T 5.5243 9.0979 122.7891 61.9769 71.7945 173.1138 77 L 5.0507 10.0194 124.8017 53.1948 45.5165 175.5910 78 S 4.7145 8.1802 113.1040 57.9198 65.4581 175.2514 79 T 4.2823 8.3065 124.1410 63.6317 68.8437 175.7289 80 H 4.2281 8.8922 123.7790 58.6701 28.6758 176.1481 81 E 3.9651 7.7936 119.2255 59.7237 29.6924 177.4405 82 C 4.3476 8.0184 112.3080 57.6799 30.3070 173.8087 83 A 3.6792 7.4797 121.6522 52.2268 16.2280 176.3309 84 G 4.4424 7.3663 110.0184 45.0612 0.0000 171.7368 85 L 4.2777 7.8516 119.0450 55.6530 42.0540 177.2284 86 S 4.5500 9.5102 116.7201 55.8407 67.6463 174.7150 87 E 3.9133 8.6689 121.0347 59.3103 29.0434 178.7547 88 R 3.7696 7.8126 118.3222 59.0846 29.9652 178.5636 89 D 4.3103 7.9047 118.0628 57.4279 40.8571 178.5861 90 I 3.4637 7.3465 119.7254 64.5445 37.1879 177.4374 91 N 4.1267 8.2955 117.8317 57.1553 38.6239 176.2743 92 L 3.9221 8.3566 121.2402 58.2678 42.1163 178.9512 93 A 3.9801 8.0810 120.6703 55.0701 18.0274 179.7671 94 S 4.0586 8.1192 113.7870 61.7246 62.8965 176.2766 95 F 4.0487 8.0060 122.7611 61.7773 38.9586 177.0730 96 I 3.7892 8.4492 119.4227 65.0301 36.9826 177.6945 97 E 4.3599 8.7426 119.4182 59.6245 28.7785 179.0676 98 Q 3.9860 8.7053 117.8944 59.3266 28.7439 179.9258 99 V 3.4154 8.0562 117.9546 65.9834 31.6908 177.3393 100 A 4.2683 8.6231 119.7567 55.5120 18.3023 179.6036 101 V 3.7619 7.8987 116.6195 65.6291 32.8563 176.9878 102 S 4.7682 7.4456 113.3043 56.9402 58.9426 171.1777 103 M 4.3305 7.9659 129.5350 57.0213 38.5376 174.3862 104 T 3.8199 7.4757 118.7437 64.1371 69.3651 171.7607 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 *6 H 8.44 4.67 0.00 2.95 2.95 0.00 7.18 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.43 4.03 0.00 1.89 1.86 0.00 3.20 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 8 L 8.06 4.40 0.00 1.89 1.54 0.98 0.88 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 9 S 8.97 4.27 0.00 3.97 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 10 A 9.03 4.05 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 11 E 8.11 4.04 0.00 2.00 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 2.23 2.21 0.00 12 E 8.17 4.10 0.00 2.26 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 0.00 2.40 2.44 0.00 13 R 8.49 3.88 0.00 2.02 1.90 0.00 3.16 0.00 0.00 3.17 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 14 D 7.79 4.40 0.00 2.89 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 15 Q 7.79 4.20 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 16 L 7.84 4.09 0.00 1.72 1.66 0.88 1.28 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 17 L 8.12 4.09 0.00 1.68 1.71 0.93 0.79 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 18 P 0.00 4.20 0.00 2.26 2.32 0.00 3.81 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 19 N 8.23 4.29 0.00 3.02 3.13 0.00 0.00 6.19 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 20 L 8.13 4.29 0.00 1.76 1.51 0.63 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.21 4.25 0.00 2.01 2.18 0.00 3.45 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 22 A 8.23 4.13 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 23 V 6.71 4.26 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 0.82 0.00 0.00 1.18 0.00 0.00 24 G 7.79 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 25 W 8.80 4.24 0.00 3.23 3.10 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 26 N 8.67 4.93 0.00 1.44 2.40 0.00 0.00 7.23 8.32 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 27 E 8.66 5.13 0.00 1.92 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 2.31 2.37 0.00 28 L 8.64 4.42 0.00 1.81 1.65 0.98 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.97 4.11 0.00 1.94 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 2.30 2.38 0.00 30 G 8.28 4.02 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 0.00 0.00 0.00 31 R 7.36 4.46 0.00 1.89 1.92 0.00 3.04 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 32 D 8.44 4.74 0.00 2.84 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 33 A 7.87 4.97 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 34 I 8.68 5.48 2.16 0.00 0.00 0.50 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 1.21 0.93 0.00 0.00 35 F 8.85 6.16 0.00 3.15 3.36 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 36 K 7.82 3.86 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.72 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.36 0.21 7.81 37 Q 8.18 4.93 0.00 2.14 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.56 0.00 0.00 0.00 0.00 0.00 2.11 2.58 0.00 38 F 9.57 4.44 0.00 2.71 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 0.00 0.00 0.00 39 H 8.02 5.12 0.00 2.80 3.10 0.00 5.83 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.13 4.92 0.00 2.67 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.45 4.11 0.00 1.76 1.88 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.42 7.81 42 D 7.53 4.65 0.00 2.97 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 43 F 8.02 4.13 0.00 2.60 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 44 N 8.20 4.15 0.00 2.83 2.93 0.00 0.00 6.88 7.65 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 45 R 8.43 3.75 0.00 2.21 1.71 0.00 3.22 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 46 A 7.35 2.86 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 47 F 7.93 3.52 0.00 1.77 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 48 G 7.77 3.45 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 0.00 49 F 7.60 4.05 0.00 2.46 2.79 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 50 M 7.76 3.55 0.00 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 1.82 0.00 51 T 7.38 3.63 4.19 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 1.15 0.00 0.00 52 R 7.67 3.92 0.00 1.99 2.07 0.00 3.12 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 53 V 7.61 3.71 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 0.84 0.00 0.00 0.61 0.00 0.00 54 A 8.62 3.94 1.47 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 0.00 0.00 55 L 8.17 3.90 0.00 1.86 1.69 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.66 3.61 0.00 1.50 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 57 A 8.22 3.97 1.22 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 0.00 0.00 58 E 7.83 3.83 0.00 1.93 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 2.39 2.47 0.00 59 K 7.57 3.87 0.00 1.83 1.81 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 60 L 7.98 4.21 0.00 1.50 1.59 0.76 0.85 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 61 D 7.94 4.26 0.00 2.72 2.67 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 0.00 0.00 0.00 0.00 62 H 7.59 4.72 0.00 3.08 2.99 0.00 5.86 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.39 4.67 0.00 2.99 2.99 0.00 5.94 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 64 P 0.00 4.44 0.00 1.19 1.67 0.00 3.17 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.23 0.00 65 E 8.54 4.66 0.00 2.18 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 2.34 2.31 0.00 66 W 9.05 5.84 0.00 3.45 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 67 F 9.88 4.95 0.00 3.20 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 N 8.40 5.31 0.00 2.61 2.50 0.00 0.00 6.92 7.71 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 69 V 8.14 4.14 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 0.96 0.00 0.00 0.62 0.00 0.00 70 Y 8.81 3.75 0.00 3.27 2.61 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 0.00 0.00 0.00 0.00 71 N 9.38 4.77 0.00 3.08 2.65 0.00 0.00 5.71 7.20 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 72 K 7.87 5.19 0.00 1.82 1.78 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.44 7.81 73 V 8.85 5.02 2.49 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 1.19 0.00 0.00 1.18 0.00 0.00 74 H 10.09 5.49 0.00 3.46 3.50 0.00 5.58 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 9.01 5.45 2.28 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.13 1.29 0.00 0.00 76 T 9.10 5.52 4.42 0.00 0.00 0.00 0.00 0.00 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 77 L 10.02 5.05 0.00 1.59 1.48 0.73 0.59 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 78 S 8.18 4.71 0.00 3.84 3.63 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 79 T 8.31 4.28 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 1.24 0.00 0.00 80 H 8.89 4.23 0.00 3.11 3.38 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.79 3.97 0.00 2.04 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 2.41 2.33 0.00 82 C 8.02 4.35 0.00 3.08 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 83 A 7.48 3.68 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 84 G 7.37 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 0.00 0.00 0.00 0.00 85 L 7.85 4.28 0.00 1.74 1.60 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.51 4.55 0.00 4.09 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 87 E 8.67 3.91 0.00 2.01 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 2.33 2.36 0.00 88 R 7.81 3.77 0.00 1.58 1.28 0.00 2.92 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 89 D 7.90 4.31 0.00 2.76 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 90 I 7.35 3.46 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.82 0.00 0.00 91 N 8.30 4.13 0.00 2.93 2.78 0.00 0.00 6.94 6.31 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 92 L 8.36 3.92 0.00 1.76 1.67 0.80 1.05 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 93 A 8.08 3.98 0.57 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 94 S 8.12 4.06 0.00 3.92 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 95 F 8.01 4.05 0.00 3.10 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 96 I 8.45 3.79 2.39 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.90 1.27 0.00 0.00 97 E 8.74 4.36 0.00 2.35 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 2.86 2.73 0.00 98 Q 8.71 3.99 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 99 V 8.06 3.42 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 0.91 0.00 0.00 0.10 0.00 0.00 100 A 8.62 4.27 1.56 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 0.00 101 V 7.90 3.76 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 1.06 0.00 0.00 1.01 0.00 0.00 102 S 7.45 4.77 0.00 4.10 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 0.00 103 M 7.97 4.33 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 104 T 7.48 3.82 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.