NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.7293 8.4449 117.3751 54.6026 29.7357 172.3794 1 M 4.3835 8.3553 121.3252 53.1063 33.8478 173.6175 2 A 4.8825 9.0383 124.4979 50.5326 23.2185 175.5342 3 V 4.5774 8.7543 111.9913 58.8695 35.1531 177.1932 4 I 3.7713 8.4177 121.2443 64.3221 37.6132 177.1650 5 D 4.6057 8.0607 118.0184 54.8213 39.5061 177.9165 6 D 4.3930 7.9291 120.7174 57.5208 41.1171 178.0054 7 F 4.3015 8.1252 120.6199 61.3848 39.3436 176.9781 8 E 3.9435 8.3411 116.9362 58.9135 29.2587 179.1244 9 K 4.0005 7.6451 117.5698 58.0006 32.4029 177.4297 10 L 3.9626 6.8672 118.4843 53.9654 42.4773 176.0337 11 D 4.5888 8.3049 121.4642 52.7206 43.0748 174.0659 12 I 4.8042 7.8967 126.9332 59.5715 39.4546 175.1803 13 R 5.2976 9.0088 125.7897 54.4439 34.6819 174.8084 14 T 4.8290 8.9288 112.1366 61.7679 70.7969 173.8241 15 G 3.8679 8.8406 109.2804 45.4164 0.0000 171.3803 16 T 4.9912 8.1655 117.1463 61.2338 71.0741 174.2078 17 I 4.0702 8.5327 127.9762 62.0204 37.3324 176.9029 18 V 4.0908 8.9278 121.3838 61.9207 33.2924 176.8411 19 K 4.7785 7.8170 117.9604 54.4693 36.6268 175.4134 20 A 5.1491 8.4896 124.0219 50.5137 21.9934 175.2424 21 E 4.8259 9.1871 121.3754 54.1410 34.3204 175.1719 22 E 4.4470 8.8926 122.5904 57.0003 30.0433 178.0885 23 F 4.9200 9.1809 123.6439 56.0138 40.7333 172.2264 24 P 4.7762 0.0000 0.0000 62.0949 32.8024 176.5555 25 E 4.3570 8.8857 120.4454 55.0939 30.6859 177.9394 26 A 3.8609 8.7033 122.4562 55.3960 18.1393 178.9177 27 R 4.5483 7.8309 110.6403 56.0690 31.5022 176.6516 28 V 4.5092 7.3079 117.8604 59.2581 34.4644 172.3869 29 P 4.9032 0.0000 0.0000 63.3302 32.3739 174.8632 30 A 4.7266 8.1947 120.0244 51.5504 22.7734 174.9605 31 I 4.9913 8.7375 120.2272 59.3867 40.8099 174.9885 32 K 4.8138 9.4002 128.3204 55.5834 33.3218 175.1433 33 L 4.9810 8.9605 128.5057 53.2355 44.1792 175.6388 34 V 4.7647 8.8052 123.6725 61.1864 33.9486 174.2908 35 I 4.7665 8.9019 128.6520 59.4121 40.8635 174.0298 36 D 4.7798 8.9408 127.5817 53.0893 42.2804 175.8558 37 F 4.7296 9.1745 125.3668 57.3536 40.3977 177.0181 38 G 3.9360 8.8227 108.2366 44.6653 0.0000 174.9969 39 T 3.8921 8.1983 107.8234 64.6045 69.0683 175.7195 40 E 4.0580 8.2365 121.8132 59.1934 29.9644 177.7851 41 I 3.8163 7.7944 117.8694 62.4373 38.0227 177.4264 42 G 3.8406 8.5098 108.7432 44.8403 0.0000 171.1728 43 I 4.7719 8.1736 120.3680 60.4687 38.4215 175.7271 44 K 5.0033 9.5091 125.4464 54.8495 36.7042 175.1836 45 Q 5.2615 9.4209 120.9206 54.6180 32.1604 174.7617 46 S 4.9452 8.8902 115.2508 56.9865 66.5076 172.5604 47 S 5.3161 8.9130 121.8541 57.2858 63.1902 173.0357 48 A 4.6326 9.2482 129.2267 49.8958 21.6491 176.3215 49 Q 4.2797 8.5944 124.9916 54.9149 27.7140 175.8214 50 I 4.6293 7.4353 109.8121 60.7716 38.5119 178.3295 51 T 4.5715 7.9551 110.7381 63.1607 69.3931 175.6128 52 K 4.0779 8.3291 123.3671 59.1391 32.2480 177.3510 53 R 4.3756 7.9426 113.7214 55.8706 31.8007 175.4090 54 Y 4.8702 7.6546 114.5672 55.8842 41.3588 174.6743 55 K 4.8896 8.3594 121.5299 53.7605 35.4516 175.3067 56 P 4.2639 0.0000 0.0000 66.3213 30.9964 178.8924 57 E 4.2025 8.3069 115.3729 58.5540 29.4568 178.3721 58 G 4.0458 7.8415 103.6296 44.7126 0.0000 173.9263 59 L 4.6101 7.7576 121.4748 55.2505 43.9009 177.1901 60 I 3.9835 7.5114 118.7021 62.7700 37.3607 176.0183 61 N 4.5229 9.0571 121.3811 53.0908 37.2907 174.8010 62 K 4.2726 7.7193 118.8852 56.2197 33.5113 176.0619 63 Q 4.7279 8.5497 123.1988 55.3582 29.9345 175.4559 64 V 4.5719 9.0189 116.4761 59.5353 36.3311 174.2245 65 I 5.1548 8.2099 121.1003 59.7449 39.9715 174.9527 66 A 5.1711 9.0941 127.3953 50.2993 23.4171 175.1299 67 V 3.9742 8.6588 121.2867 62.7786 32.0307 176.8968 68 V 3.9331 8.4256 121.5599 60.7732 32.5706 176.5136 69 N 4.7801 7.3965 117.2622 52.3298 37.5794 174.8604 70 F 4.8451 7.6251 116.6519 56.7985 40.0723 173.8316 71 P 4.4250 0.0000 0.0000 61.8931 31.6691 174.8545 72 P 4.8680 0.0000 0.0000 62.9524 32.4441 175.3937 73 R 4.7162 8.7098 115.9170 54.4704 33.1598 174.2395 74 R 4.6983 8.3819 119.8163 55.5721 31.4552 175.8834 75 I 3.9178 8.8646 120.5694 61.3580 41.3591 173.6267 76 A 3.6986 9.8342 127.9721 53.2983 16.0745 177.9318 77 G 4.0902 9.5617 104.6023 47.1278 0.0000 173.4975 78 F 4.8591 7.7577 113.8979 54.9067 41.0702 173.2735 79 K 4.4346 8.6463 122.1595 55.5501 31.8761 175.4760 80 S 4.6276 9.0545 123.1795 57.7662 63.0028 174.0487 81 E 4.7873 9.6225 126.5104 56.3853 30.9535 176.5290 82 V 4.6013 7.6551 118.0649 59.8777 34.9062 174.4536 83 L 4.5653 8.6559 126.0762 53.7100 43.2725 175.2537 84 V 4.4065 8.4061 127.3347 62.4232 32.5400 175.1003 85 L 4.6483 9.0487 128.6316 53.9428 43.2940 175.9842 86 G 4.4737 8.4763 108.6633 44.4228 0.0000 172.5775 87 G 3.8495 9.0956 108.8051 46.4044 0.0000 172.9987 88 I 4.9189 8.2656 124.3746 58.9534 37.2764 173.7276 89 P 4.3719 0.0000 0.0000 63.4686 32.0858 176.2066 90 G 3.9373 7.4915 105.9831 44.7301 0.0000 172.4249 91 Q 4.1099 8.8634 118.3969 57.5390 28.7416 177.7511 92 G 3.9131 8.9054 109.7349 45.8620 0.0000 172.0680 93 D 5.0575 7.9697 119.0597 52.3261 43.1187 175.8662 94 V 4.6897 8.3463 124.0657 61.3251 34.9817 174.1353 95 V 4.5603 8.7781 128.0894 60.8862 33.2483 174.8282 96 L 4.3876 8.8944 128.9386 54.9537 42.0666 177.5224 97 L 4.5322 8.4109 123.0664 54.8672 42.4711 176.3599 98 Q 4.6090 8.2520 117.8548 54.0617 31.8379 172.6826 99 P 4.4465 0.0000 0.0000 62.4972 31.8960 177.1739 100 D 4.6285 8.6180 120.3562 54.3906 39.7414 175.8787 101 Q 4.6060 7.3910 115.8667 54.2517 31.5088 172.4764 102 P 4.3102 0.0000 0.0000 63.2198 31.8508 176.3399 103 V 4.5685 7.9302 114.7234 58.4307 35.5130 173.8126 104 P 4.3569 0.0000 0.0000 62.4235 31.8175 175.9409 105 N 4.3763 8.5637 118.9803 55.4004 38.7576 175.4391 106 G 4.1466 9.0748 110.9409 46.3782 0.0000 173.5229 107 T 4.0198 7.7076 117.0731 63.5161 69.3817 173.4677 108 K 4.7086 8.6244 127.2366 55.7377 33.6064 175.5723 109 I 4.4370 8.4756 127.8441 60.0505 38.6785 176.2729 110 G 3.9656 8.4977 114.1820 46.2210 0.0000 172.6081 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 *0 H 8.44 4.73 0.00 2.95 2.92 0.00 7.15 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.36 4.38 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 2 A 9.04 4.88 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 3 V 8.75 4.58 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 0.77 0.00 0.00 0.95 0.00 0.00 4 I 8.42 3.77 1.89 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 1.68 1.63 1.01 0.00 0.00 5 D 8.06 4.61 0.00 2.93 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 6 D 7.93 4.39 0.00 2.89 2.84 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 7 F 8.13 4.30 0.00 3.14 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 8 E 8.34 3.94 0.00 2.00 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 2.42 2.63 0.00 9 K 7.65 4.00 0.00 1.88 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.60 7.81 10 L 6.87 3.96 0.00 1.27 1.25 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.30 4.59 0.00 2.50 2.39 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 12 I 7.90 4.80 1.81 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 1.19 0.36 0.92 0.00 0.00 13 R 9.01 5.30 0.00 1.64 1.90 0.00 3.36 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 14 T 8.93 4.83 4.26 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 1.25 0.00 0.00 15 G 8.84 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 0.00 0.00 0.00 16 T 8.17 4.99 4.14 0.00 0.00 0.00 0.00 0.00 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 17 I 8.53 4.07 1.97 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 1.13 0.59 0.92 0.00 0.00 18 V 8.93 4.09 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 0.67 0.00 0.00 0.93 0.00 0.00 19 K 7.82 4.78 0.00 1.58 1.58 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.39 7.81 20 A 8.49 5.15 1.16 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 0.00 0.00 21 E 9.19 4.83 0.00 2.11 1.97 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 2.27 2.29 0.00 22 E 8.89 4.45 0.00 1.87 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 2.36 2.32 0.00 23 F 9.18 4.92 0.00 2.92 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 24 P 0.00 4.78 0.00 2.11 2.10 0.00 3.70 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 1.99 1.99 0.00 25 E 8.89 4.36 0.00 2.17 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 2.34 2.29 0.00 26 A 8.70 3.86 1.29 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 27 R 7.83 4.55 0.00 1.80 1.97 0.00 3.21 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 28 V 7.31 4.51 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 0.79 0.00 0.00 0.96 0.00 0.00 29 P 0.00 4.90 0.00 2.14 2.13 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 30 A 8.19 4.73 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 31 I 8.74 4.99 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 0.97 0.00 0.00 32 K 9.40 4.81 0.00 0.85 1.18 0.00 0.90 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 0.21 7.81 33 L 8.96 4.98 0.00 1.61 1.51 0.88 0.41 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 34 V 8.81 4.76 2.01 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 0.75 0.00 0.00 0.80 0.00 0.00 35 I 8.90 4.77 1.68 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 0.95 0.45 -0.07 0.00 0.00 36 D 8.94 4.78 0.00 2.60 2.44 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 37 F 9.17 4.73 0.00 3.16 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 38 G 8.82 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 0.00 0.00 0.00 39 T 8.20 3.89 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 1.21 0.00 0.00 40 E 8.24 4.06 0.00 1.95 2.02 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 2.28 2.32 0.00 41 I 7.79 3.82 1.95 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 1.27 0.63 0.82 0.00 0.00 42 G 8.51 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 43 I 8.17 4.77 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.48 0.92 0.00 0.00 44 K 9.51 5.00 0.00 1.96 1.76 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.46 7.81 45 Q 9.42 5.26 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 46 S 8.89 4.95 0.00 3.97 3.71 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 47 S 8.91 5.32 0.00 3.57 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 48 A 9.25 4.63 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 49 Q 8.59 4.28 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.38 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 50 I 7.44 4.63 1.89 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.99 0.90 0.00 0.00 51 T 7.96 4.57 4.30 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 1.33 0.00 0.00 52 K 8.33 4.08 0.00 1.87 1.92 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.47 7.81 53 R 7.94 4.38 0.00 1.11 1.42 0.00 3.08 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 54 Y 7.65 4.87 0.00 3.30 2.81 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 0.00 0.00 0.00 0.00 55 K 8.36 4.89 0.00 1.83 1.88 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.44 7.81 56 P 0.00 4.26 0.00 2.18 2.31 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 57 E 8.31 4.20 0.00 1.94 2.03 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 2.33 2.45 0.00 58 G 7.84 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 0.00 0.00 0.00 59 L 7.76 4.61 0.00 1.87 1.64 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.51 3.98 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.32 0.89 0.00 0.00 61 N 9.06 4.52 0.00 2.87 3.02 0.00 0.00 7.05 7.25 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 62 K 7.72 4.27 0.00 1.93 1.68 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.43 7.81 63 Q 8.55 4.73 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 64 V 9.02 4.57 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 0.70 0.00 0.00 0.85 0.00 0.00 65 I 8.21 5.15 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 1.46 1.17 0.96 0.00 0.00 66 A 9.09 5.17 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 67 V 8.66 3.97 1.68 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 -0.23 0.00 0.00 0.84 0.00 0.00 68 V 8.43 3.93 1.65 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 -0.27 0.00 0.00 0.70 0.00 0.00 69 N 7.40 4.78 0.00 2.67 2.69 0.00 0.00 6.11 7.43 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 70 F 7.63 4.85 0.00 3.04 2.87 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 71 P 0.00 4.42 0.00 2.04 1.99 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 72 P 0.00 4.87 0.00 2.07 2.07 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 73 R 8.71 4.72 0.00 1.78 1.94 0.00 2.68 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 74 R 8.38 4.70 0.00 1.67 1.85 0.00 3.24 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 75 I 8.86 3.92 1.74 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 1.13 1.03 0.62 0.00 0.00 76 A 9.83 3.70 1.60 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 77 G 9.56 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 0.00 0.00 0.00 78 F 7.76 4.86 0.00 3.21 3.06 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 79 K 8.65 4.43 0.00 1.78 1.86 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 80 S 9.05 4.63 0.00 3.55 3.66 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 0.00 0.00 0.00 0.00 81 E 9.62 4.79 0.00 1.95 1.97 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 2.28 2.46 0.00 82 V 7.66 4.60 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 0.91 0.00 0.00 0.66 0.00 0.00 83 L 8.66 4.57 0.00 2.10 1.86 0.97 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 84 V 8.41 4.41 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 0.89 0.00 0.00 1.01 0.00 0.00 85 L 9.05 4.65 0.00 1.67 1.60 0.97 0.73 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 86 G 8.48 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 0.00 0.00 0.00 0.00 87 G 9.10 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 88 I 8.27 4.92 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.89 1.01 0.00 0.00 89 P 0.00 4.37 0.00 2.05 2.11 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 90 G 7.49 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 0.00 0.00 0.00 91 Q 8.86 4.11 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.22 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 92 G 8.91 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 0.00 0.00 0.00 93 D 7.97 5.06 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 94 V 8.35 4.69 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 0.89 0.00 0.00 1.02 0.00 0.00 95 V 8.78 4.56 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 96 L 8.89 4.39 0.00 1.56 1.54 0.36 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.41 4.53 0.00 1.58 1.63 0.96 0.94 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 98 Q 8.25 4.61 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 99 P 0.00 4.45 0.00 2.46 2.02 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 100 D 8.62 4.63 0.00 2.79 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 0.00 101 Q 7.39 4.61 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 102 P 0.00 4.31 0.00 2.06 2.04 0.00 3.62 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 2.03 2.12 0.00 103 V 7.93 4.57 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 0.76 0.00 0.00 0.94 0.00 0.00 104 P 0.00 4.36 0.00 2.18 1.98 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 105 N 8.56 4.38 0.00 2.70 2.82 0.00 0.00 7.22 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 0.00 106 G 9.07 4.15 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 0.00 107 T 7.71 4.02 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 1.23 0.00 0.00 108 K 8.62 4.71 0.00 1.74 1.70 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.53 7.81 109 I 8.48 4.44 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 1.22 0.64 1.07 0.00 0.00 110 G 8.50 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 * Residues marked with a * may have inaccurate shift predictions.