NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 K 4.2059 8.3149 121.7891 55.9806 34.2470 175.5853 21 V 4.2171 7.7475 110.8255 57.9144 34.5306 175.0918 22 L 3.9131 8.7813 122.4734 58.5385 42.8671 178.7791 23 R 3.9440 8.1106 117.9799 59.4256 30.1842 178.0207 24 D 4.4027 7.9672 116.5696 56.8035 40.8568 176.8521 25 N 4.8485 7.8278 114.2305 52.7420 38.7805 174.9319 26 I 3.8885 7.4401 120.4708 61.4032 37.5714 175.5774 27 Q 4.7611 8.5720 123.2044 54.2015 31.7404 175.6006 28 G 4.1182 8.6269 107.1232 45.1752 0.0000 173.4204 29 I 4.5925 7.4013 112.7743 58.4060 40.6033 175.8504 30 T 4.3448 8.2118 114.3143 60.5930 71.4311 176.1268 31 K 3.9468 8.2488 120.1233 59.1921 32.0163 177.7910 32 P 4.2562 0.0000 0.0000 65.5206 31.1472 178.4713 33 A 4.0334 8.1300 119.6402 55.1126 18.1882 179.6924 34 I 3.6859 7.9571 118.3004 64.7367 37.1582 178.8615 35 R 3.9533 8.3720 118.9398 59.2644 29.7775 179.3906 36 R 3.9161 8.1612 117.8295 59.2803 30.1001 179.1202 37 L 3.9433 8.3207 118.9211 57.6038 41.6010 179.4013 38 A 3.9487 8.2898 121.0154 55.2751 18.2789 179.8654 39 R 4.0091 8.1976 116.7612 59.5233 29.9364 179.2449 40 R 3.9817 8.1309 117.6334 59.0563 30.0732 177.7959 41 G 3.9213 7.7698 102.9471 44.5716 0.0000 174.4474 42 G 3.9503 8.0798 109.4731 44.7652 0.0000 174.4677 43 V 3.7530 7.5151 119.5889 62.7798 32.0933 175.6397 44 K 4.4575 8.5467 124.4905 57.2649 33.8843 176.9397 45 R 4.7448 7.5738 115.0533 54.3286 34.1062 174.1986 46 I 4.5759 7.8801 113.2587 58.6027 40.8149 175.2439 47 S 4.2068 8.4162 117.2286 58.0295 62.5961 175.3762 48 G 3.8020 8.6264 112.5840 47.4307 0.0000 175.2501 49 L 4.0665 7.9912 120.0319 56.2537 41.6619 178.9667 50 I 3.7080 7.5463 120.9035 64.1094 36.9043 177.8308 51 Y 4.1389 7.1073 117.5487 61.1811 37.7579 178.2401 52 E 4.0046 8.2647 119.7435 59.0399 29.8310 178.1821 53 E 3.9220 8.1185 119.1505 59.6234 29.6553 178.9522 54 T 3.8588 8.2451 116.0737 66.7191 68.5309 176.7134 55 R 4.0437 8.2336 120.0862 59.3142 30.1656 179.3143 56 G 3.6437 8.2528 105.3874 47.8896 0.0000 175.9520 57 V 3.6555 7.9160 120.8295 65.5348 31.4485 177.8976 58 L 4.0172 8.2951 120.5676 58.0167 41.8456 178.9151 59 K 3.9944 8.2191 119.7519 59.2648 32.0818 179.0856 60 V 3.7255 7.8309 118.5780 65.8743 31.5248 177.6041 61 F 4.1380 8.3579 120.3954 61.5572 39.2146 177.1632 62 L 3.9122 8.4435 118.7385 57.6816 41.3938 179.2829 63 E 3.9384 8.4192 118.7549 59.4484 29.2890 179.1829 64 N 4.2336 8.1716 116.3852 56.2743 38.5490 177.7179 65 V 3.4226 7.4310 119.3930 66.1137 31.6258 178.1954 66 I 3.6493 8.0484 119.9910 64.0973 36.9784 178.2938 67 R 3.8155 8.0123 119.7265 59.6135 29.8569 178.4087 68 D 3.9428 7.7395 118.4075 57.0331 40.8296 178.4114 69 A 4.0599 8.1003 121.6364 55.3527 18.2776 179.8878 70 V 3.5246 8.1227 116.9772 66.3239 31.5823 178.2137 71 T 3.8085 7.5142 115.1508 67.0611 68.3112 176.1627 72 Y 4.4277 7.4454 118.4337 61.2632 37.3932 178.4875 73 T 3.9396 8.0917 116.8478 66.7042 68.5691 176.6017 74 E 3.9998 8.5143 120.7945 59.8225 29.2776 179.1934 75 H 4.2575 8.3046 114.8369 58.1152 28.8330 176.7163 76 A 4.2813 7.8575 120.3011 50.9373 19.6517 177.0490 77 K 3.7705 7.8049 116.4687 57.8856 30.0041 174.3927 78 R 4.7788 7.9799 115.2350 54.5743 34.3091 176.2786 79 K 4.4456 8.5858 116.7775 56.4499 33.7753 176.4226 80 T 4.4871 7.6361 115.9883 61.4713 69.9389 174.1244 81 V 4.0606 8.5993 126.3852 61.8900 32.4910 175.8138 82 T 4.6114 8.7578 117.4026 59.8767 72.2791 175.5142 83 A 4.0413 8.4296 123.1193 55.6994 18.3582 179.8002 84 M 4.0254 8.0892 116.6519 58.7557 32.0295 178.5633 85 D 4.5040 8.0095 118.8915 57.3777 41.0130 179.0683 86 V 3.6254 7.6593 118.4760 65.9101 31.3512 178.1665 87 V 3.6093 8.2524 117.2096 66.2718 31.6927 177.0571 88 Y 4.0867 8.0918 118.9109 60.6578 38.5646 177.7473 89 A 4.1813 8.2985 121.7238 55.1259 18.2695 179.1958 90 L 4.1033 7.7862 115.7823 56.7269 42.0246 179.1295 91 K 4.0609 7.8444 118.9727 58.7611 31.7081 179.0340 92 R 3.8803 7.4416 118.6201 59.0554 30.0277 177.9751 93 Q 4.1634 7.9770 115.7463 57.1003 28.9613 177.0663 94 G 3.8337 7.9840 109.9785 44.7449 0.0000 172.3743 95 R 4.5344 8.3367 116.8220 54.5662 32.2770 175.3360 96 T 4.5311 8.5105 119.9934 61.5381 70.3098 173.6029 97 L 4.7427 8.1844 127.4696 54.7631 43.9066 175.2616 *98 Y 4.1399 8.3000 116.9582 56.4258 37.7487 173.5632 99 G 3.5982 8.3341 112.5205 44.3578 0.0000 172.9410 100 F 4.7724 8.3027 114.6675 56.9967 39.2427 176.5473 101 G 3.8314 8.1286 115.7024 46.0296 0.0000 173.9837 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 20 K 8.31 4.21 0.00 1.71 2.02 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.53 7.81 21 V 7.75 4.22 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 0.80 0.00 0.00 1.00 0.00 0.00 22 L 8.78 3.91 0.00 1.67 1.68 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.11 3.94 0.00 1.88 1.91 0.00 3.24 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 24 D 7.97 4.40 0.00 2.92 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 25 N 7.83 4.85 0.00 2.71 2.82 0.00 0.00 7.04 6.73 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 26 I 7.44 3.89 1.96 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 1.30 0.75 0.92 0.00 0.00 27 Q 8.57 4.76 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 28 G 8.63 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 29 I 7.40 4.59 1.89 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 1.49 0.80 0.93 0.00 0.00 30 T 8.21 4.34 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 1.20 0.00 0.00 31 K 8.25 3.95 0.00 1.54 1.24 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.89 1.24 7.81 32 P 0.00 4.26 0.00 2.15 2.11 0.00 3.57 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 33 A 8.13 4.03 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 34 I 7.96 3.69 2.30 0.00 0.00 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 1.59 0.94 0.92 0.00 0.00 35 R 8.37 3.95 0.00 2.08 2.03 0.00 3.21 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.11 0.00 36 R 8.16 3.92 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 37 L 8.32 3.94 0.00 1.80 1.69 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.29 3.95 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 39 R 8.20 4.01 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 40 R 8.13 3.98 0.00 1.84 2.13 0.00 3.29 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 41 G 7.77 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 0.00 0.00 0.00 42 G 8.08 3.95 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 43 V 7.52 3.75 2.07 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 0.75 0.00 0.00 0.92 0.00 0.00 44 K 8.55 4.46 0.00 1.72 1.80 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.47 7.81 45 R 7.57 4.74 0.00 1.71 1.74 0.00 3.14 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 46 I 7.88 4.58 1.67 0.00 0.00 0.51 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 0.54 0.80 0.00 0.00 47 S 8.42 4.21 0.00 3.84 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 48 G 8.63 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 0.00 0.00 0.00 49 L 7.99 4.07 0.00 1.70 1.71 0.92 0.49 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 50 I 7.55 3.71 1.61 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.69 0.00 0.00 51 Y 7.11 4.14 0.00 2.87 2.94 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 52 E 8.26 4.00 0.00 2.13 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 2.40 2.45 0.00 53 E 8.12 3.92 0.00 2.28 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 0.00 2.29 2.39 0.00 54 T 8.25 3.86 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 1.20 0.00 0.00 55 R 8.23 4.04 0.00 2.04 2.15 0.00 3.28 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 56 G 8.25 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.66 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 0.98 0.00 0.00 0.95 0.00 0.00 58 L 8.30 4.02 0.00 1.79 1.84 0.99 0.77 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 59 K 8.22 3.99 0.00 1.91 1.97 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 60 V 7.83 3.73 2.27 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 0.97 0.00 0.00 0.96 0.00 0.00 61 F 8.36 4.14 0.00 3.15 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 62 L 8.44 3.91 0.00 1.76 1.72 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.42 3.94 0.00 2.17 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 2.32 2.53 0.00 64 N 8.17 4.23 0.00 2.74 2.76 0.00 0.00 6.70 7.21 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 65 V 7.43 3.42 1.72 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 0.99 0.00 0.00 0.21 0.00 0.00 66 I 8.05 3.65 1.92 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 1.38 0.40 0.88 0.00 0.00 67 R 8.01 3.82 0.00 1.93 2.02 0.00 3.04 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 68 D 7.74 3.94 0.00 2.72 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 0.00 0.00 0.00 0.00 69 A 8.10 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.12 3.52 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 1.08 0.00 0.00 0.96 0.00 0.00 71 T 7.51 3.81 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 1.15 0.00 0.00 72 Y 7.45 4.43 0.00 3.20 2.91 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 73 T 8.09 3.94 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 1.27 0.00 0.00 74 E 8.51 4.00 0.00 2.15 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 2.32 2.48 0.00 75 H 8.30 4.26 0.00 3.19 3.42 0.00 5.84 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.86 4.28 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 77 K 7.80 3.77 0.00 1.90 1.84 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.38 7.81 78 R 7.98 4.78 0.00 1.97 1.79 0.00 3.31 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 79 K 8.59 4.45 0.00 1.71 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 80 T 7.64 4.49 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 1.22 0.00 0.00 81 V 8.60 4.06 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 0.94 0.00 0.00 0.94 0.00 0.00 82 T 8.76 4.61 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 1.23 0.00 0.00 83 A 8.43 4.04 1.36 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 84 M 8.09 4.03 0.00 2.07 2.15 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 2.70 2.65 0.00 85 D 8.01 4.50 0.00 2.86 3.05 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 86 V 7.66 3.63 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 1.02 0.00 0.00 0.96 0.00 0.00 87 V 8.25 3.61 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 0.89 0.00 0.00 1.02 0.00 0.00 88 Y 8.09 4.09 0.00 2.97 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 89 A 8.30 4.18 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.79 4.10 0.00 1.82 1.77 0.98 0.85 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 91 K 7.84 4.06 0.00 1.49 1.65 0.00 1.52 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.47 7.81 92 R 7.44 3.88 0.00 1.70 1.96 0.00 3.37 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 93 Q 7.98 4.16 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.56 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 94 G 7.98 3.83 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 0.00 0.00 0.00 95 R 8.34 4.53 0.00 1.76 1.82 0.00 3.17 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 96 T 8.51 4.53 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 1.17 0.00 0.00 97 L 8.18 4.74 0.00 1.64 1.58 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *98 Y 8.30 4.14 0.00 2.35 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 0.00 0.00 0.00 0.00 99 G 8.33 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 0.00 100 F 8.30 4.77 0.00 3.03 3.08 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 0.00 0.00 0.00 101 G 8.13 3.83 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.