NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 4.8970 8.3127 118.1059 56.2030 41.6134 172.3007 4 S 3.9137 7.6487 110.4841 55.6569 65.3539 168.3699 5 V 4.4793 8.8113 123.0892 60.4836 35.5247 172.3956 6 D 5.1919 8.5377 121.9318 52.8907 42.5084 175.7224 7 I 4.8261 8.6832 124.8750 59.6424 40.2850 174.8671 8 Q 5.2813 9.2560 124.1028 53.1527 33.2183 174.3500 9 G 4.9543 8.6957 108.3837 44.4829 0.0000 170.9020 10 N 4.9404 7.9781 115.7757 51.1513 40.2748 174.4167 11 D 4.7152 8.6481 115.8188 54.9412 39.5891 176.4723 12 Q 4.4257 8.3931 118.5310 55.3655 28.9505 175.2947 13 M 3.1172 7.5001 115.4926 56.7326 30.3469 176.8512 14 Q 4.6726 7.8568 115.4213 54.0918 31.5934 175.4078 15 F 5.3505 8.5457 120.6587 56.1482 40.3729 176.0515 16 N 4.5651 9.1895 122.4151 55.8838 37.2935 175.3217 17 T 4.7511 7.8579 111.4326 60.9130 70.2683 172.3790 18 N 5.0631 8.9158 124.1971 52.1492 37.8174 174.2229 19 A 4.8128 7.9455 121.0251 51.5947 22.3140 176.7055 20 I 4.6250 8.5127 122.8632 59.6870 40.6012 174.5572 21 T 4.3678 8.5663 119.6943 60.1782 68.6902 173.6017 22 V 3.9486 7.9605 128.2957 60.5369 32.5603 174.6465 23 D 4.4626 8.5831 127.7467 54.2860 41.5367 177.0988 24 K 4.2567 8.5609 124.5068 58.6102 33.1084 178.2067 25 S 4.2122 7.8934 114.3028 60.7151 63.1996 173.9456 26 C 4.4518 7.8859 119.7599 56.9557 41.5181 173.5720 27 K 4.2377 8.7311 124.8951 58.1087 33.0646 176.8347 28 Q 5.0031 7.9171 115.5633 54.1526 31.8776 174.7896 29 F 4.7805 8.3030 121.9583 56.6365 43.4156 173.4618 30 T 4.7791 6.8742 120.7001 61.5963 71.9018 172.8377 31 V 4.2055 8.4912 126.9708 61.1666 33.5758 174.1419 32 N 4.7134 9.0933 126.5946 51.8289 39.9874 173.5121 33 L 5.2592 9.0824 127.6575 53.4310 44.2269 175.4283 34 S 5.1058 8.6850 118.7487 56.5572 67.1631 172.5706 35 H 5.0413 8.4733 119.6443 53.8616 29.1787 171.5679 36 P 4.1234 0.0000 0.0000 65.1377 31.8013 178.0340 37 G 3.9746 7.5873 106.0783 43.8386 0.0000 172.4857 38 N 4.4808 8.4805 116.1773 52.9594 39.0378 175.3362 39 L 4.0984 8.2140 121.1900 53.9462 42.6262 175.5193 40 P 4.4502 0.0000 0.0000 62.1227 31.9050 175.9774 41 K 3.9501 8.5166 121.2279 58.3793 32.1620 176.3049 42 N 4.1819 8.8555 121.2418 53.7778 36.2838 173.6715 43 V 4.1187 7.6899 119.1514 61.7469 32.3423 176.3966 44 M 4.6915 8.8148 127.8617 53.2665 31.3914 175.5474 45 G 4.3640 7.1319 107.6844 47.8569 0.0000 172.3053 46 H 5.2177 8.2075 120.1592 54.5903 33.8717 172.0110 47 N 5.4245 8.6454 121.2580 51.2975 41.8332 172.3176 48 W 5.2093 8.9406 128.1850 55.5824 33.6384 174.1612 49 V 4.4309 7.8607 126.2867 60.6738 34.7367 173.6031 50 L 4.8241 8.3255 129.2031 53.2691 45.0399 175.4149 51 S 4.8374 8.6142 119.2577 57.7947 67.1187 173.6242 52 T 4.3774 8.6156 115.4280 63.1785 68.8947 175.7112 53 A 3.9621 8.5136 125.6084 55.3205 18.3571 179.9139 54 A 4.0241 7.7434 117.9351 55.4457 18.8999 179.0887 55 D 4.4415 8.0261 116.0588 56.2150 41.1076 178.1320 56 M 3.6943 7.7227 119.5178 58.9293 32.0088 178.0029 57 Q 3.8784 7.9264 118.7737 58.9583 29.2078 178.1467 58 G 3.5988 7.9617 106.2549 47.8393 0.0000 175.4430 59 V 3.6240 8.0833 121.4363 65.6421 31.5322 178.2806 60 V 3.5776 7.7681 117.6865 66.4445 31.3844 177.9548 61 T 3.8452 8.1306 115.8315 66.9938 68.3273 176.2374 62 D 4.5087 8.6312 120.7953 56.7596 40.6282 179.0943 63 G 4.2374 8.0165 107.4308 47.5224 0.0000 175.2255 64 M 4.3597 8.0291 119.5004 58.2566 32.3519 177.9066 65 A 4.3318 8.1233 120.5638 53.5854 18.6080 177.7518 66 S 4.2500 8.0542 112.1548 57.3438 64.5601 173.9791 *71 D 4.4615 8.4879 129.9611 55.2419 42.1173 175.3030 72 Y 3.8682 7.7587 110.7463 58.7545 35.9839 170.4062 73 L 5.0397 7.3181 117.6738 52.3560 45.5732 176.7247 74 K 4.0077 8.7145 124.3776 55.4698 32.6825 174.7080 75 P 4.2442 0.0000 0.0000 64.4438 31.5888 175.6870 76 D 4.3558 8.7753 121.2170 55.0740 38.2244 173.6491 77 D 4.4371 7.9606 118.2669 54.3288 41.7024 176.6232 78 S 4.3393 8.6375 121.1442 60.3136 63.6259 175.3153 79 R 4.0312 8.0183 119.4986 57.7070 30.1521 176.6584 80 V 4.0316 7.2180 117.3681 62.0188 30.9304 175.6526 81 I 3.9741 8.7518 129.4974 64.0394 37.3154 176.6462 82 A 4.8257 7.5262 121.4716 51.2683 22.4167 174.4935 83 H 5.5248 8.4216 114.3073 54.5861 31.4532 173.4455 84 T 4.4865 8.8064 112.0222 60.9367 70.2827 173.8416 85 K 4.4722 8.8317 122.4169 56.0879 34.3126 176.3572 86 L 4.6221 8.5917 120.7638 54.4649 42.0855 176.7575 87 I 4.4608 9.0732 118.7139 59.2431 40.3708 176.2758 88 G 4.4332 9.3341 112.8946 44.9960 0.0000 172.6413 89 S 4.5127 8.4867 114.8083 59.4301 63.4286 174.7636 90 G 3.8860 9.5457 113.0622 45.5629 0.0000 172.6785 91 E 4.6927 7.6723 119.5898 54.8743 32.5232 174.5789 92 K 4.8736 8.2442 120.2861 55.6351 35.3699 174.2746 93 D 4.8479 9.3803 124.8483 53.2591 45.2179 173.8574 94 S 5.3468 8.5668 117.7504 56.6004 66.8952 173.8368 95 V 4.5295 8.4358 121.6760 60.2801 34.2909 174.4034 96 T 5.2147 8.6992 120.8534 61.6633 71.2475 173.3150 97 F 5.0856 8.5021 119.5680 54.9292 42.2194 173.4151 98 D 4.8911 8.8106 120.0445 53.9932 41.5579 177.3595 99 V 3.8716 8.6396 127.2838 65.0047 31.8713 178.0060 100 S 4.2314 8.0974 113.8348 61.4316 62.7875 175.8488 101 K 4.1056 7.7671 119.3550 58.1082 31.8877 176.9843 102 L 4.6263 7.3854 118.4163 52.8389 42.4933 174.7904 103 K 4.3615 8.0251 116.2919 57.6647 34.9541 176.8768 *106 E 4.3083 8.1373 126.2840 56.0722 32.0398 176.5794 107 Q 4.3175 7.4182 120.4157 55.1402 27.5382 174.0166 108 Y 4.4864 7.7995 119.8855 57.3807 40.4793 174.0942 109 M 5.0277 8.9311 120.3592 53.5120 35.4175 175.0109 110 F 5.2956 8.2063 117.0207 55.2740 40.9838 173.9195 111 F 5.0382 8.1032 114.2139 56.4909 41.6532 171.9091 112 C 5.5101 9.3118 119.5712 57.4650 32.3235 173.2097 113 A 4.6364 9.6354 128.2603 52.6277 19.2402 177.7570 114 A 3.3942 7.9277 117.8039 52.8153 19.3342 177.0969 115 A 4.3840 7.7449 118.4619 51.0067 19.5597 175.6475 116 H 4.9386 8.3590 118.9378 54.6970 31.0318 174.0712 117 A 4.7133 8.0287 123.1890 49.6579 22.2329 175.6945 118 A 4.0661 8.3976 122.4138 52.0368 18.8007 177.9258 119 A 4.0510 8.7563 126.8998 54.5383 18.8027 177.4254 120 M 4.6144 7.7663 115.0998 53.3414 33.7889 175.1939 121 K 4.5197 8.2671 121.5105 56.3880 35.6173 174.1489 122 G 4.0288 7.9753 106.3413 45.5291 0.0000 171.9482 123 T 4.6187 8.2312 112.8250 60.0038 69.6097 173.4598 124 L 4.7330 8.1537 127.2166 53.6064 45.0744 175.4007 125 T 4.6494 8.2509 118.7129 60.3594 70.7170 173.0076 126 L 4.2611 8.4285 126.7279 55.1723 42.1608 176.0975 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 3 C 8.31 4.90 0.00 2.80 3.26 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 0.00 0.00 0.00 4 S 7.65 3.91 0.00 3.57 3.42 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 0.00 5 V 8.81 4.48 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 0.55 0.00 0.00 0.91 0.00 0.00 6 D 8.54 5.19 0.00 2.52 2.58 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 0.00 7 I 8.68 4.83 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.79 1.04 0.00 0.00 8 Q 9.26 5.28 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 9 G 8.70 4.95 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 10 N 7.98 4.94 0.00 2.84 2.83 0.00 0.00 5.68 8.07 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 11 D 8.65 4.72 0.00 2.81 3.15 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 12 Q 8.39 4.43 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 13 M 7.50 3.12 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 14 Q 7.86 4.67 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 15 F 8.55 5.35 0.00 3.23 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 16 N 9.19 4.57 0.00 2.87 3.05 0.00 0.00 6.65 7.28 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 17 T 7.86 4.75 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 1.29 0.00 0.00 18 N 8.92 5.06 0.00 2.84 3.01 0.00 0.00 5.83 7.26 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 19 A 7.95 4.81 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 20 I 8.51 4.62 1.99 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.89 0.00 0.00 21 T 8.57 4.37 4.27 0.00 0.00 0.00 0.00 0.00 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 22 V 7.96 3.95 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 0.58 0.00 0.00 0.21 0.00 0.00 23 D 8.58 4.46 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 24 K 8.56 4.26 0.00 1.91 1.93 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 25 S 7.89 4.21 0.00 3.95 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 26 C 7.89 4.45 0.00 3.11 3.31 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 27 K 8.73 4.24 0.00 1.69 1.83 0.00 1.59 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.42 7.81 28 Q 7.92 5.00 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.72 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 29 F 8.30 4.78 0.00 2.77 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 0.00 0.00 0.00 30 T 6.87 4.78 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 1.05 0.00 0.00 31 V 8.49 4.21 1.26 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 -0.19 0.00 0.00 -0.12 0.00 0.00 32 N 9.09 4.71 0.00 2.82 2.64 0.00 0.00 6.09 6.90 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 33 L 9.08 5.26 0.00 1.68 1.64 1.23 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.68 5.11 0.00 3.90 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 35 H 8.47 5.04 0.00 3.20 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.12 0.00 2.21 2.17 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 37 G 7.59 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 0.00 0.00 0.00 38 N 8.48 4.48 0.00 2.74 2.78 0.00 0.00 6.81 7.85 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 39 L 8.21 4.10 0.00 1.60 1.62 0.67 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.45 0.00 2.14 1.95 0.00 3.57 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 2.08 2.23 0.00 41 K 8.52 3.95 0.00 1.96 1.74 0.00 2.03 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.05 7.81 42 N 8.86 4.18 0.00 2.91 2.92 0.00 0.00 7.00 7.68 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 43 V 7.69 4.12 2.15 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 0.83 0.00 0.00 0.94 0.00 0.00 44 M 8.81 4.69 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 45 G 7.13 4.36 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 0.00 46 H 8.21 5.22 0.00 3.12 3.23 0.00 5.74 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 47 N 8.65 5.42 0.00 2.91 3.01 0.00 0.00 5.66 8.88 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 48 W 8.94 5.21 0.00 3.46 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 49 V 7.86 4.43 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 0.45 0.00 0.00 0.77 0.00 0.00 50 L 8.33 4.82 0.00 0.88 1.23 0.88 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.61 4.84 0.00 4.11 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 52 T 8.62 4.38 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 1.14 0.00 0.00 53 A 8.51 3.96 1.26 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 0.00 0.00 0.00 0.00 0.00 54 A 7.74 4.02 1.26 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 0.00 0.00 0.00 0.00 0.00 55 D 8.03 4.44 0.00 2.76 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 56 M 7.72 3.69 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.97 0.00 57 Q 7.93 3.88 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 58 G 7.96 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.08 3.62 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 1.20 0.00 0.00 1.04 0.00 0.00 60 V 7.77 3.58 2.04 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 0.77 0.00 0.00 0.62 0.00 0.00 61 T 8.13 3.85 4.22 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 1.20 0.00 0.00 62 D 8.63 4.51 0.00 2.75 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 63 G 8.02 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 64 M 8.03 4.36 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.63 0.00 65 A 8.12 4.33 1.38 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 0.00 0.00 66 S 8.05 4.25 0.00 3.73 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 *71 D 8.49 4.46 0.00 2.84 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 72 Y 7.76 3.87 0.00 3.19 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 73 L 7.32 5.04 0.00 1.74 1.49 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.71 4.01 0.00 1.73 1.89 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.44 7.81 75 P 0.00 4.24 0.00 2.22 2.06 0.00 3.97 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 76 D 8.78 4.36 0.00 2.83 2.78 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 77 D 7.96 4.44 0.00 2.89 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 78 S 8.64 4.34 0.00 4.03 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 79 R 8.02 4.03 0.00 1.99 2.12 0.00 3.17 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.58 0.00 80 V 7.22 4.03 2.22 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 0.73 0.00 0.00 0.95 0.00 0.00 81 I 8.75 3.97 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.63 0.63 0.00 0.00 82 A 7.53 4.83 1.05 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 0.00 0.00 83 H 8.42 5.52 0.00 3.18 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.81 4.49 4.47 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 1.35 0.00 0.00 85 K 8.83 4.47 0.00 1.83 1.92 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.46 7.81 86 L 8.59 4.62 0.00 1.62 1.72 1.08 0.85 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 87 I 9.07 4.46 1.93 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 1.50 0.93 1.01 0.00 0.00 88 G 9.33 4.43 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 0.00 89 S 8.49 4.51 0.00 4.10 3.92 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 90 G 9.55 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 0.00 0.00 0.00 91 E 7.67 4.69 0.00 2.09 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 2.26 2.40 0.00 92 K 8.24 4.87 0.00 1.98 1.61 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.32 1.01 7.81 93 D 9.38 4.85 0.00 2.78 2.45 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 94 S 8.57 5.35 0.00 3.68 3.60 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 0.00 0.00 0.00 0.00 95 V 8.44 4.53 2.15 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 1.00 0.00 0.00 1.10 0.00 0.00 96 T 8.70 5.21 4.20 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 1.14 0.00 0.00 97 F 8.50 5.09 0.00 3.13 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 98 D 8.81 4.89 0.00 2.76 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 99 V 8.64 3.87 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 0.92 0.00 0.00 0.88 0.00 0.00 100 S 8.10 4.23 0.00 4.08 4.01 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 0.00 101 K 7.77 4.11 0.00 1.93 1.93 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.49 7.81 102 L 7.39 4.63 0.00 1.75 1.52 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.03 4.36 0.00 2.07 1.68 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 0.95 7.81 *106 E 8.14 4.31 0.00 1.97 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 2.23 2.42 0.00 107 Q 7.42 4.32 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 108 Y 7.80 4.49 0.00 2.96 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 0.00 109 M 8.93 5.03 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 110 F 8.21 5.30 0.00 1.78 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 0.00 111 F 8.10 5.04 0.00 3.18 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 0.00 112 C 9.31 5.51 0.00 3.24 2.98 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 0.00 113 A 9.64 4.64 1.49 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 0.00 0.00 114 A 7.93 3.39 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 0.00 115 A 7.74 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.36 4.94 0.00 3.05 3.15 0.00 5.66 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 0.00 117 A 8.03 4.71 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 0.00 118 A 8.40 4.07 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 0.00 119 A 8.76 4.05 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 0.00 120 M 7.77 4.61 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 121 K 8.27 4.52 0.00 1.78 1.74 0.00 1.48 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.48 7.81 122 G 7.98 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.23 4.62 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 0.00 124 L 8.15 4.73 0.00 1.57 1.46 0.92 0.84 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 0.00 125 T 8.25 4.65 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 0.00 126 L 8.43 4.26 0.00 1.63 1.50 0.92 0.85 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 * Residues marked with a * may have inaccurate shift predictions.