NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2453 8.4293 121.4658 55.5960 31.1036 176.0100 3 S 4.1088 8.2616 120.4975 57.3458 64.9348 173.8054 4 L 3.8444 8.4067 124.0395 58.1986 42.2593 180.1078 5 L 3.4112 7.5505 119.8278 57.9153 42.0195 178.5516 6 N 4.2207 7.7956 116.2134 56.2967 38.4605 177.6679 7 R 4.0987 7.8001 119.2390 58.7987 30.0643 178.9343 8 L 3.8257 7.5232 120.4599 58.2365 42.0982 178.4100 9 Y 4.3941 7.6791 116.7430 61.3919 37.7927 178.5908 10 D 4.3699 8.3030 119.3886 57.4134 40.7454 178.7292 11 A 4.2144 7.8654 119.9607 54.6777 18.3491 178.6114 12 L 4.3834 7.7525 115.4478 53.6875 42.7238 176.9339 13 G 3.8998 8.3830 106.8508 46.8094 0.0000 173.8896 14 L 4.7251 8.0265 117.9743 53.2981 45.9900 176.2884 15 D 4.6761 8.3447 125.4389 53.0283 40.0407 176.5166 *20 E 4.1236 7.6232 115.7176 55.1611 31.2376 174.6558 21 P 4.4120 0.0000 0.0000 63.3871 32.0791 175.3425 22 L 4.3760 7.9398 118.8387 54.0167 44.7971 173.6004 23 L 4.9069 8.5483 127.0896 53.3871 44.6356 175.1864 24 I 4.5958 9.1852 127.0621 59.7677 39.8930 174.8408 25 I 4.9307 8.4645 126.2064 59.7862 39.6501 174.8875 26 D 4.6976 9.0807 128.3790 52.9496 42.2506 175.5651 27 D 4.1708 9.4606 129.0161 55.5468 37.9454 175.5187 28 G 3.9391 8.2774 104.9582 45.7467 0.0000 173.5823 29 I 4.2740 7.3735 121.8113 59.9587 38.5943 174.6672 30 Q 4.9193 8.4784 124.2135 55.2853 30.6371 175.0385 31 V 4.9932 9.1553 123.4758 61.5414 35.0258 173.4996 32 Y 5.0624 8.3907 125.1001 55.2798 41.4634 174.3483 33 F 5.2985 9.0251 117.5553 55.7857 42.1353 174.3803 34 N 5.3413 9.3892 120.5131 52.0461 42.2192 172.9443 35 E 5.3516 8.7292 121.7715 54.7772 33.8030 174.6153 36 S 4.7591 8.7390 116.5271 55.9685 66.6054 173.7496 37 D 4.4288 8.8321 119.4300 56.6477 38.6070 177.4709 38 H 4.8535 7.9820 114.2417 55.2114 30.0427 173.9064 39 T 5.0249 7.7031 116.6785 61.5731 72.9576 172.3917 40 L 4.7657 8.7997 127.6655 53.7943 44.2334 175.1570 41 E 5.2888 8.7329 126.9471 53.8946 33.5218 173.9689 *43 C 4.5733 8.4184 116.0031 60.4482 30.0519 172.7640 44 C 5.4448 9.5209 123.8555 55.7404 33.6808 171.2187 45 P 4.9634 0.0000 0.0000 62.5502 31.1716 176.0244 46 F 4.6600 8.3941 119.3602 56.4026 38.4252 173.8960 *48 P 4.2352 0.0000 0.0000 62.0314 32.5954 175.9649 49 L 4.0010 8.2951 125.4797 54.3893 42.2079 175.2186 50 P 4.5284 0.0000 0.0000 62.6463 32.1250 175.7466 51 D 4.9597 8.6358 119.7131 52.7125 40.1721 175.5675 52 D 5.0550 7.7133 119.2210 51.7105 43.1163 176.4097 53 I 3.7017 8.3016 122.9767 64.9501 37.2640 178.7482 54 L 4.0535 7.8663 118.9756 58.1214 41.5234 179.6152 55 T 4.0013 8.3430 115.7711 66.5234 68.5169 176.8579 56 L 4.1796 7.9408 120.5207 58.0674 41.6950 179.6396 57 Q 4.0697 8.2743 118.0067 59.0307 28.5225 178.2091 58 H 4.0800 8.3325 119.4050 59.4011 29.9208 177.4051 59 F 3.9708 8.2220 119.2696 60.0412 38.4681 177.8224 60 L 4.1188 7.6256 118.0378 57.7403 41.7186 179.2580 61 R 4.0752 8.1281 118.1601 59.0920 29.9029 178.7298 62 L 3.8224 7.9948 120.3064 58.1872 41.7131 178.6401 63 N 4.0599 7.7454 115.2627 56.6403 38.5245 176.3312 64 Y 4.3380 7.9589 120.3587 60.3173 38.9663 177.1543 65 T 4.1146 7.6321 108.8269 61.9747 70.2755 175.4866 66 S 4.2399 8.1411 116.4510 57.7382 63.7050 174.3444 67 A 4.1001 8.5198 125.0822 54.2648 18.5490 178.2675 68 V 4.5759 7.3189 107.5833 59.5633 34.2472 175.6617 69 T 4.3541 8.1041 118.5752 63.8620 69.5932 173.4458 70 I 4.9938 8.7528 126.3275 59.8921 39.8687 175.2762 71 G 4.2264 9.5598 113.4862 45.1920 0.0000 170.4728 72 A 5.3826 8.4749 120.6109 49.7915 21.9184 176.5315 73 D 4.6566 8.6455 120.7437 52.6983 40.6955 177.2929 74 A 3.9990 8.7693 121.8051 55.4077 18.3199 178.2586 75 D 4.6247 8.0716 112.4497 53.8446 41.0543 175.8554 76 N 4.2418 7.9864 115.7156 54.5642 36.8751 175.3978 77 T 4.2569 8.4234 109.5509 62.6065 70.5125 174.0591 78 A 4.9668 7.9043 121.0332 49.6869 23.1866 175.2807 79 L 4.4141 7.9230 119.0726 54.1871 43.3428 176.2870 80 V 4.9505 9.3037 122.8323 61.1653 35.3386 173.8543 81 A 5.4254 9.2316 128.8111 50.6715 21.3874 175.8886 82 L 5.0199 9.1476 120.6700 54.8508 44.6739 174.1643 83 Y 4.7141 7.8853 119.7076 56.2057 42.0748 173.5615 84 R 4.5030 8.2215 125.6698 54.7146 31.8392 175.5336 85 L 4.4628 8.3962 125.3757 52.1372 45.5608 173.8405 86 P 4.6918 0.0000 0.0000 62.9269 32.0565 177.3225 87 Q 4.0604 9.0997 123.2794 57.8519 28.6390 177.0619 88 T 4.3606 7.5287 107.0621 61.3400 69.4519 175.0804 89 S 4.4387 7.9376 119.3299 58.6270 63.6996 174.5486 90 T 4.2686 9.1941 113.4061 61.0882 70.8656 175.3391 91 E 3.8694 8.7019 122.6343 59.6826 29.5292 178.8768 92 E 3.9309 8.1083 118.6002 59.4439 29.7191 178.5374 93 E 4.1972 8.4864 119.5611 58.5379 29.3644 179.2823 94 A 4.0235 7.9954 120.9901 55.0599 18.5123 179.3807 95 L 4.0014 8.1083 119.1307 58.5864 41.7235 179.2634 96 T 4.0321 8.5067 110.3424 64.8001 68.5695 176.5219 97 G 3.6715 8.5225 109.0590 47.3652 0.0000 175.2383 98 F 4.3342 8.7535 123.5773 61.2817 39.4467 177.0703 99 E 3.8424 8.5494 118.0853 59.4863 29.1987 179.4619 100 L 3.9661 8.1774 119.1681 57.3410 41.6151 179.2346 101 F 4.0886 8.3593 121.0796 61.3764 39.2937 176.9270 102 I 3.2505 7.5097 119.3839 64.4628 36.5214 178.1970 103 S 3.9574 7.7547 113.4865 61.4793 62.1900 176.0492 104 N 4.2312 8.1317 119.1821 56.3548 38.2757 177.7074 105 V 3.2685 7.7716 119.9893 65.4110 31.4829 177.8965 106 K 3.7776 8.0008 119.7754 59.6264 32.1562 178.6096 107 Q 3.9811 7.6980 119.2991 58.6975 28.8439 177.6945 108 L 4.0191 7.8315 121.5806 57.9774 42.1159 178.8870 109 K 3.9833 8.2567 120.1596 59.5587 31.9938 178.6443 110 E 3.9650 7.9802 116.2142 59.1569 29.4846 177.9339 111 H 4.3092 7.8697 115.4525 56.7737 29.5267 175.8661 112 Y 4.8284 8.2268 115.3520 57.5397 39.6911 175.5661 113 A 4.5633 8.3704 127.5844 52.3742 18.9716 176.9307 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 2 E 8.43 4.25 0.00 1.92 1.89 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 2.15 2.29 0.00 3 S 8.26 4.11 0.00 4.08 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 4 L 8.41 3.84 0.00 1.69 1.58 0.92 0.42 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 5 L 7.55 3.41 0.00 1.42 1.29 -0.43 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 6 N 7.80 4.22 0.00 2.89 3.08 0.00 0.00 7.01 7.14 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 7 R 7.80 4.10 0.00 1.95 1.92 0.00 3.21 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 8 L 7.52 3.83 0.00 1.51 1.38 0.77 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.68 4.39 0.00 3.15 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 10 D 8.30 4.37 0.00 2.86 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 11 A 7.87 4.21 1.43 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 12 L 7.75 4.38 0.00 1.77 1.67 0.58 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.38 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 0.00 0.00 0.00 14 L 8.03 4.73 0.00 1.51 1.70 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.34 4.68 0.00 2.68 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 *20 E 7.62 4.12 0.00 2.11 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 2.20 2.34 0.00 21 P 0.00 4.41 0.00 2.07 2.06 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 22 L 7.94 4.38 0.00 1.68 1.58 0.14 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.55 4.91 0.00 1.67 1.53 1.11 1.05 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 24 I 9.19 4.60 2.15 0.00 0.00 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 1.34 0.73 1.12 0.00 0.00 25 I 8.46 4.93 1.91 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 1.27 0.66 0.94 0.00 0.00 26 D 9.08 4.70 0.00 2.80 2.57 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 27 D 9.46 4.17 0.00 2.84 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 28 G 8.28 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 29 I 7.37 4.27 2.01 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 0.80 0.00 0.00 30 Q 8.48 4.92 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 31 V 9.16 4.99 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 0.95 0.00 0.00 1.02 0.00 0.00 32 Y 8.39 5.06 0.00 2.91 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 33 F 9.03 5.30 0.00 3.07 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 34 N 9.39 5.34 0.00 2.96 2.69 0.00 0.00 6.92 7.52 0.00 0.00 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 E 8.73 5.35 0.00 1.84 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 36 S 8.74 4.76 0.00 3.89 3.80 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 37 D 8.83 4.43 0.00 2.52 2.75 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 0.00 0.00 0.00 38 H 7.98 4.85 0.00 3.18 3.30 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.70 5.02 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 1.18 0.00 0.00 40 L 8.80 4.77 0.00 1.64 1.54 0.87 0.74 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 41 E 8.73 5.29 0.00 2.02 1.80 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 2.17 2.02 0.00 *43 C 8.42 4.57 0.00 1.36 2.31 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 44 C 9.52 5.44 0.00 2.89 2.76 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 0.00 0.00 0.00 45 P 0.00 4.96 0.00 2.18 2.27 0.00 4.09 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 46 F 8.39 4.66 0.00 3.09 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 *48 P 0.00 4.24 0.00 1.93 2.01 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 49 L 8.30 4.00 0.00 1.54 1.53 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.53 0.00 2.30 2.11 0.00 3.59 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 2.01 2.03 0.00 51 D 8.64 4.96 0.00 2.76 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 52 D 7.71 5.06 0.00 2.88 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 53 I 8.30 3.70 1.89 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 1.65 0.84 0.93 0.00 0.00 54 L 7.87 4.05 0.00 1.70 1.72 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.34 4.00 4.53 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 1.55 0.00 0.00 56 L 7.94 4.18 0.00 1.92 1.78 0.97 0.93 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 57 Q 8.27 4.07 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 58 H 8.33 4.08 0.00 3.15 3.37 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.22 3.97 0.00 3.19 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 L 7.63 4.12 0.00 1.86 1.75 0.95 0.74 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 R 8.13 4.08 0.00 1.98 1.97 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 62 L 7.99 3.82 0.00 1.44 1.71 0.37 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.75 4.06 0.00 3.03 2.96 0.00 0.00 6.99 8.08 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 64 Y 7.96 4.34 0.00 2.88 3.20 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 65 T 7.63 4.11 4.18 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 1.21 0.00 0.00 66 S 8.14 4.24 0.00 3.88 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 67 A 8.52 4.10 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 68 V 7.32 4.58 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 0.85 0.00 0.00 0.90 0.00 0.00 69 T 8.10 4.35 4.45 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 1.27 0.00 0.00 70 I 8.75 4.99 2.00 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 1.26 0.84 1.12 0.00 0.00 71 G 9.56 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 0.00 0.00 0.00 0.00 72 A 8.47 5.38 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 73 D 8.65 4.66 0.00 2.88 2.93 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 74 A 8.77 4.00 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 75 D 8.07 4.62 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 7.99 4.24 0.00 2.85 2.87 0.00 0.00 6.83 7.06 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 77 T 8.42 4.26 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 1.24 0.00 0.00 78 A 7.90 4.97 1.19 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 0.00 0.00 0.00 79 L 7.92 4.41 0.00 0.76 0.53 -0.49 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 80 V 9.30 4.95 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 1.05 0.00 0.00 1.00 0.00 0.00 81 A 9.23 5.43 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 82 L 9.15 5.02 0.00 1.67 1.76 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.89 4.71 0.00 2.91 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 0.00 0.00 0.00 84 R 8.22 4.50 0.00 1.53 1.66 0.00 3.17 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 85 L 8.40 4.46 0.00 1.30 1.28 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.69 0.00 2.08 1.93 0.00 3.60 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 2.08 2.07 0.00 87 Q 9.10 4.06 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 88 T 7.53 4.36 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 89 S 7.94 4.44 0.00 3.85 3.96 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 90 T 9.19 4.27 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 1.25 0.00 0.00 91 E 8.70 3.87 0.00 1.99 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 2.34 2.30 0.00 92 E 8.11 3.93 0.00 2.08 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 2.40 2.42 0.00 93 E 8.49 4.20 0.00 2.25 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 0.00 2.36 2.20 0.00 94 A 8.00 4.02 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.11 4.00 0.00 1.79 1.87 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.51 4.03 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 1.32 0.00 0.00 97 G 8.52 3.67 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 0.00 0.00 0.00 98 F 8.75 4.33 0.00 3.34 3.44 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 99 E 8.55 3.84 0.00 2.27 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 2.49 2.78 0.00 100 L 8.18 3.97 0.00 1.69 1.61 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.36 4.09 0.00 2.95 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 0.00 102 I 7.51 3.25 1.76 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 0.88 0.03 0.74 0.00 0.00 103 S 7.75 3.96 0.00 3.83 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 0.00 104 N 8.13 4.23 0.00 2.76 2.73 0.00 0.00 6.71 8.01 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 0.00 105 V 7.77 3.27 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 0.73 0.00 0.00 -0.15 0.00 0.00 106 K 8.00 3.78 0.00 1.84 1.85 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.39 7.81 107 Q 7.70 3.98 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 108 L 7.83 4.02 0.00 1.74 1.63 0.98 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.26 3.98 0.00 1.88 1.76 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.31 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.63 7.81 110 E 7.98 3.97 0.00 2.11 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 0.00 2.51 2.37 0.00 111 H 7.87 4.31 0.00 2.95 2.50 0.00 5.59 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.23 4.83 0.00 3.25 3.20 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 0.00 113 A 8.37 4.56 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.