NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3511 8.2549 119.0701 55.0543 31.1671 175.2218 8 P 2.9700 0.0000 0.0000 61.2195 31.8913 173.9950 9 N 5.0302 8.3314 118.7126 52.2714 43.2469 173.9081 10 H 4.4667 9.0737 119.8608 58.5333 30.2448 175.2687 11 T 5.2050 9.2010 115.9877 61.8641 70.7664 173.8942 12 I 4.8092 8.3725 119.6343 59.4446 40.2366 174.1096 13 Y 4.1837 8.9505 128.3788 56.6847 39.6443 173.7691 14 I 4.4939 7.8559 129.0880 59.8777 39.4600 175.1349 15 N 4.7086 7.9909 123.7099 51.9548 41.0741 173.2879 16 N 4.0521 8.6250 113.3604 55.0006 37.3943 174.5554 17 L 4.6245 7.7479 114.9979 52.8685 43.2731 176.5749 18 N 4.4346 8.6332 119.7733 53.9943 39.2107 174.9515 19 E 4.2158 8.6934 124.3190 58.2655 30.2148 177.9140 20 K 4.3430 8.0449 116.1344 56.5204 31.8783 176.3618 21 I 4.3189 6.8237 120.0335 58.9487 39.2106 176.5365 22 K 4.1021 8.2553 123.7673 55.9196 33.9844 177.9505 23 K 3.8152 8.6630 123.7394 59.9679 31.8987 178.7170 24 D 4.3202 8.0075 117.6804 57.3719 41.3616 177.8571 25 E 4.0489 8.1353 117.5457 59.0882 29.5458 178.6544 26 L 4.1576 8.0403 121.7550 57.9762 42.3032 178.9573 27 K 4.0297 8.0248 118.0954 59.4531 31.6746 179.4434 28 K 4.2140 7.9624 118.6684 59.3605 31.8381 179.6638 29 S 4.4031 8.6386 115.9215 60.6768 62.4846 175.5942 30 L 4.7173 7.9213 120.4979 56.2195 40.6647 177.2580 31 H 4.4235 7.8667 119.2009 58.0912 29.8990 176.9011 32 A 4.1829 7.8001 122.0216 54.7417 18.5748 178.7734 33 I 4.0112 7.2852 117.4404 63.2090 37.5607 177.6446 34 F 4.8108 7.8394 116.9633 58.6050 38.8124 177.5273 35 S 4.3893 7.6377 112.7075 60.6487 62.9133 175.8710 36 R 3.8031 7.2318 121.0909 59.3131 29.7372 177.3093 37 F 4.3043 7.6491 115.3114 59.3793 39.4394 175.3960 38 G 4.1163 7.4871 105.0043 45.4598 0.0000 171.3691 39 Q 4.2921 8.3055 121.2054 55.9419 29.9409 175.3769 40 I 4.3172 8.3232 128.1888 60.6891 37.7035 175.8612 41 L 4.2116 8.9836 128.8381 57.2643 41.7649 176.6645 42 D 4.7631 7.7458 116.1224 53.0485 45.2964 173.0998 43 I 4.9875 8.2135 122.2160 59.5061 40.2350 174.8946 44 L 4.6431 8.7970 127.8294 53.1983 43.3451 175.8184 45 V 4.7228 8.4192 123.6521 61.1071 34.0485 174.5829 46 S 4.8170 8.9067 121.1639 56.6688 65.0277 173.0741 47 R 4.5396 8.2504 120.5556 55.5187 31.1283 175.2966 48 S 4.3824 7.7744 112.0834 58.2575 63.6850 174.9092 49 L 4.0457 8.5204 122.4903 58.3330 41.9866 178.5911 50 K 4.1750 8.2078 116.5410 59.6652 32.1018 178.4908 51 M 4.6628 7.4200 115.8194 55.1066 32.3807 176.2312 52 R 4.0868 7.5058 118.3274 57.0118 30.9584 176.0615 53 G 4.0148 9.0321 111.8367 46.1696 0.0000 172.5028 54 Q 4.8308 7.8473 114.9380 54.1739 31.8497 173.7646 55 A 4.8232 8.8832 122.2531 50.3486 23.2711 174.9852 56 F 4.9010 8.9505 120.5065 56.0184 41.1268 175.0610 57 V 4.3019 8.1051 124.8875 61.2605 33.1942 174.6394 58 I 4.3521 8.2677 129.7952 59.9913 38.2466 175.1893 59 F 4.9585 8.5242 126.0784 56.4425 39.6290 176.5219 60 K 4.2324 9.3216 124.0982 58.7170 32.8986 176.8243 61 E 4.8328 8.1650 119.1082 53.7354 32.8134 176.5375 62 V 3.6845 8.2481 123.2340 66.0490 31.4913 178.3614 63 S 4.1163 8.0443 112.4424 61.3264 62.0260 176.2383 64 S 3.9040 7.6213 116.6829 61.2163 62.4924 176.3822 65 A 3.9247 7.5493 122.9586 55.0653 18.1937 179.7974 66 T 4.0340 7.6948 115.6092 66.4375 68.6112 176.8304 67 N 4.2962 7.7901 118.2454 56.0600 38.4138 177.4325 68 A 2.0000 7.3328 122.1551 54.3661 17.9283 179.3802 69 L 3.7167 7.5965 118.8461 58.1765 41.8239 179.5056 70 R 3.8233 7.5820 116.9090 59.4818 30.1657 178.9691 71 S 4.3268 7.7549 113.3514 61.5319 63.3329 175.9279 72 M 4.3434 8.0459 119.4805 54.4757 31.7484 175.7403 73 Q 4.0058 6.9612 122.1439 57.6578 29.2290 176.1144 74 G 3.8834 8.6687 113.2027 45.7697 0.0000 172.4934 75 F 4.1783 8.2269 123.1766 56.7371 39.5806 172.9029 76 P 4.5532 0.0000 0.0000 62.5660 30.9594 175.7338 77 F 4.6647 8.9498 126.0908 57.2455 41.4438 174.1549 78 Y 3.1601 8.6042 127.7638 59.4528 34.9120 170.8257 79 D 4.5903 8.3889 114.4333 54.5687 38.9276 174.2421 80 K 4.8010 7.7479 118.4353 53.7044 36.1536 173.8928 81 P 4.8727 0.0000 0.0000 62.9545 32.0664 176.2831 82 M 4.3349 9.0056 124.3772 55.2150 33.6746 175.5468 83 R 4.7447 8.6748 122.1903 54.9254 32.5027 174.1926 84 I 4.6945 8.4141 127.5781 59.7710 38.9799 175.1834 85 Q 4.6394 8.8228 125.1175 53.8606 33.3987 174.1847 86 Y 4.7987 8.2950 116.8054 57.4833 39.5123 175.3710 87 A 4.2769 8.8198 127.6008 52.7097 18.5707 178.7175 88 K 4.1106 9.0925 124.6688 57.0572 32.0762 174.9007 89 T 4.8084 7.4398 106.9986 59.0468 71.6164 173.2476 90 D 4.5676 8.3654 122.1482 54.0931 41.7829 176.9297 91 S 4.2823 8.4018 118.9574 58.5582 63.4767 174.4810 92 D 4.4621 8.4861 121.8298 53.8882 39.4412 176.7872 93 I 4.2806 7.6549 122.2995 62.8532 39.8480 177.7677 94 I 3.8136 7.7531 119.7999 63.9226 37.1783 177.1074 95 A 4.0290 8.0555 124.6398 55.2870 18.5273 177.8981 96 K 4.1930 7.4738 120.1947 54.9243 31.7480 180.7071 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 R 8.25 4.35 0.00 1.85 1.79 0.00 3.24 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.80 1.48 0.00 3.43 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 9 N 8.33 5.03 0.00 2.66 2.99 0.00 0.00 7.06 7.89 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 10 H 9.07 4.47 0.00 3.24 3.62 0.00 5.85 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 11 T 9.20 5.21 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 1.47 0.00 0.00 12 I 8.37 4.81 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.94 0.97 0.00 0.00 13 Y 8.95 4.18 0.00 2.96 2.85 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 14 I 7.86 4.49 1.60 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.10 0.75 0.00 0.00 15 N 7.99 4.71 0.00 2.54 2.26 0.00 0.00 6.31 7.63 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 16 N 8.62 4.05 0.00 2.81 2.89 0.00 0.00 6.83 7.78 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 17 L 7.75 4.62 0.00 1.71 1.70 0.85 1.09 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 18 N 8.63 4.43 0.00 2.72 2.57 0.00 0.00 7.03 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 19 E 8.69 4.22 0.00 2.05 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 2.37 2.32 0.00 20 K 8.04 4.34 0.00 2.10 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.82 4.32 1.47 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 -0.11 0.00 0.65 0.00 0.00 22 K 8.26 4.10 0.00 1.78 1.72 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.46 7.81 23 K 8.66 3.82 0.00 1.82 1.83 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.68 7.81 24 D 8.01 4.32 0.00 2.84 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 25 E 8.14 4.05 0.00 2.29 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 0.00 2.39 2.44 0.00 26 L 8.04 4.16 0.00 2.00 1.93 1.17 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.02 4.03 0.00 2.09 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.63 7.81 28 K 7.96 4.21 0.00 1.85 1.91 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.65 7.81 29 S 8.64 4.40 0.00 4.38 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 0.00 30 L 7.92 4.72 0.00 1.84 1.59 0.77 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.87 4.42 0.00 3.52 3.36 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.80 4.18 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 33 I 7.29 4.01 1.65 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.37 0.44 0.00 0.00 34 F 7.84 4.81 0.00 3.12 3.21 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 35 S 7.64 4.39 0.00 4.12 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 36 R 7.23 3.80 0.00 1.54 1.67 0.00 2.73 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 37 F 7.65 4.30 0.00 2.92 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 38 G 7.49 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 39 Q 8.31 4.29 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 40 I 8.32 4.32 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.75 0.71 0.00 0.00 41 L 8.98 4.21 0.00 1.51 1.72 0.95 0.96 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 42 D 7.75 4.76 0.00 2.74 2.42 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 43 I 8.21 4.99 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 0.86 0.00 0.00 44 L 8.80 4.64 0.00 1.66 1.65 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.42 4.72 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 0.81 0.00 0.00 0.95 0.00 0.00 46 S 8.91 4.82 0.00 3.87 3.77 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 47 R 8.25 4.54 0.00 1.75 1.85 0.00 3.33 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 48 S 7.77 4.38 0.00 4.02 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 49 L 8.52 4.05 0.00 1.61 1.77 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.21 4.17 0.00 1.82 1.89 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.48 7.81 51 M 7.42 4.66 0.00 2.13 2.14 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 2.65 2.67 0.00 52 R 7.51 4.09 0.00 2.13 1.84 0.00 3.39 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 53 G 9.03 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 0.00 0.00 0.00 54 Q 7.85 4.83 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 55 A 8.88 4.82 1.06 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 0.00 0.00 56 F 8.95 4.90 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.30 1.61 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 0.30 0.00 0.00 0.38 0.00 0.00 58 I 8.27 4.35 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.94 0.00 0.00 59 F 8.52 4.96 0.00 3.20 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 60 K 9.32 4.23 0.00 1.99 1.95 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.59 7.81 61 E 8.17 4.83 0.00 2.09 1.75 0.00 0.00 0.00 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 2.31 0.00 62 V 8.25 3.68 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 0.92 0.00 0.00 0.64 0.00 0.00 63 S 8.04 4.12 0.00 3.90 3.82 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 64 S 7.62 3.90 0.00 3.58 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 65 A 7.55 3.92 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 0.00 0.00 0.00 0.00 0.00 66 T 7.69 4.03 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 1.29 0.00 0.00 67 N 7.79 4.30 0.00 2.82 2.99 0.00 0.00 6.96 7.00 0.00 0.00 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 A 7.33 2.00 0.95 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 69 L 7.60 3.72 0.00 1.59 1.61 -0.17 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.58 3.82 0.00 1.95 1.95 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 71 S 7.75 4.33 0.00 3.97 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 72 M 8.05 4.34 0.00 1.79 2.04 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.27 0.00 73 Q 6.96 4.01 0.00 2.34 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.13 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 74 G 8.67 3.88 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 0.00 0.00 0.00 75 F 8.23 4.18 0.00 3.15 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 76 P 0.00 4.55 0.00 1.79 1.87 0.00 2.90 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 77 F 8.95 4.66 0.00 3.25 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 Y 8.60 3.16 0.00 3.00 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 79 D 8.39 4.59 0.00 2.86 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 80 K 7.75 4.80 0.00 1.77 1.70 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.40 7.81 81 P 0.00 4.87 0.00 2.09 2.08 0.00 3.79 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 2.00 2.01 0.00 82 M 9.01 4.33 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.63 0.00 83 R 8.67 4.74 0.00 1.84 1.92 0.00 3.08 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 84 I 8.41 4.69 1.79 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 0.78 0.00 0.00 85 Q 8.82 4.64 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 86 Y 8.29 4.80 0.00 2.97 2.85 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 87 A 8.82 4.28 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 0.00 0.00 0.00 0.00 0.00 88 K 9.09 4.11 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.00 7.81 89 T 7.44 4.81 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 90 D 8.37 4.57 0.00 2.66 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 91 S 8.40 4.28 0.00 3.86 3.72 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 92 D 8.49 4.46 0.00 2.75 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 93 I 7.65 4.28 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.43 0.89 0.00 0.00 94 I 7.75 3.81 1.80 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 0.65 0.00 0.00 95 A 8.06 4.03 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 96 K 7.47 4.19 0.00 1.87 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.