NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.3378 8.1832 117.5640 52.3130 38.8039 175.0473 2 L 4.0559 8.3139 119.4550 57.7259 41.4473 179.2045 3 F 4.5550 8.8446 118.9070 60.6463 39.3175 177.2631 4 Q 4.1777 8.4655 117.6843 58.9148 28.4203 178.4123 5 F 4.5738 8.5760 121.9772 61.3595 39.3866 177.4096 6 G 3.5769 8.4775 105.6389 47.6811 0.0000 175.2266 7 D 4.4572 8.2274 120.3545 57.5428 41.3504 178.2583 8 M 4.4572 8.2316 119.2914 58.5625 31.9208 178.8056 9 I 3.4911 7.9320 120.3378 64.0536 37.1882 178.0742 10 L 4.1606 7.9767 122.5716 57.7737 41.7003 178.9494 11 Q 3.9322 7.8132 117.7799 58.7661 29.0132 177.6555 12 K 4.3009 7.8327 118.1423 57.5614 32.4987 177.5554 13 T 4.3983 8.0122 106.8188 60.1776 70.4423 175.2961 14 G 3.7687 8.4437 110.3237 45.6438 0.0000 172.9974 *16 K 4.2706 7.4861 117.7528 55.9875 33.5541 174.4642 17 E 4.4137 8.4918 123.0156 55.3210 30.3498 176.8095 18 A 4.2256 8.9781 128.7592 55.7145 18.2619 179.5987 19 V 3.7180 8.2592 109.0386 63.8487 31.6538 177.3465 20 H 4.9192 7.8500 113.6787 55.8071 29.4708 175.0743 21 S 4.5618 8.5753 114.0970 59.1051 65.6652 175.5014 22 Y 4.1869 8.2324 117.5092 60.3278 38.7714 178.7458 23 A 4.2992 8.3312 122.2234 54.5985 18.6698 178.0930 24 I 4.5185 7.9404 108.9087 60.6385 38.2402 173.7518 25 Y 4.5653 8.1808 122.4015 57.8281 40.2824 176.1016 26 G 3.6462 7.4841 116.0173 46.6919 0.0000 172.7657 27 C 4.5745 9.2567 115.5205 57.5511 41.0926 174.7932 28 Y 4.3102 8.5075 115.3039 58.1240 40.0134 175.4947 29 C 4.6705 8.3672 117.8240 57.6850 42.0879 173.2128 30 G 3.7969 8.8217 115.3355 46.6027 0.0000 176.5211 31 W 4.4247 8.1531 135.0000 56.9622 30.8184 174.8005 32 G 3.9563 7.9164 118.2025 47.0629 0.0000 171.5658 33 G 3.3791 7.1065 116.2749 45.0411 0.0000 172.5568 34 Q 4.4820 7.1165 117.5383 55.2729 31.8973 174.3457 35 G 4.2720 8.8135 104.0281 44.6973 0.0000 172.0200 36 R 4.8389 8.0121 116.5088 53.8703 31.9393 176.1913 37 A 4.4389 8.3125 124.9114 52.5952 18.6388 178.0600 38 Q 3.9140 8.9612 123.1031 58.7730 29.2155 175.4531 39 D 4.5040 7.4470 114.6016 51.4743 42.0498 175.1206 40 A 4.0077 8.8291 119.7747 56.0401 18.0112 179.7835 41 T 3.8345 8.0538 113.5336 67.0743 68.5368 176.1093 42 D 4.5495 8.7592 119.7480 57.5707 41.1192 178.5265 43 R 3.9831 8.2715 118.6835 59.1491 29.9881 178.3618 44 C 4.2916 8.0953 116.4125 60.3119 40.9014 175.5341 45 C 4.2664 8.0819 118.2055 59.8114 36.5354 175.9653 46 F 3.8166 8.5707 122.3807 61.2041 38.9639 177.1109 47 A 3.6943 8.2347 120.6334 54.9644 18.0020 179.4180 48 Q 3.5803 7.9603 118.2235 59.2463 29.0681 178.1059 49 D 4.0683 7.7520 119.9021 57.4085 40.5495 178.1669 50 C 4.0754 7.3213 116.2205 59.8267 41.5073 174.9407 51 C 4.2782 7.9321 120.0712 60.0306 38.4143 175.2731 52 Y 4.2619 8.2756 118.7421 61.1088 37.1830 178.9222 53 G 3.6557 7.9210 105.5780 46.8999 0.0000 174.8865 54 R 4.4428 7.6920 117.9457 55.5959 30.9451 176.7230 55 V 3.9642 7.1328 112.7554 60.9466 33.3395 174.8849 56 N 4.1899 8.4140 119.3684 55.0366 38.2410 176.2654 *59 D 4.9891 8.7683 118.1519 54.7673 43.4004 174.1440 *61 C 5.1555 7.7387 112.6294 55.3851 43.9284 172.3595 *67 N 4.7831 8.1413 116.8258 52.8292 38.5395 172.8253 68 P 3.9201 0.0000 0.0000 65.3665 31.8149 178.0891 69 K 4.0129 8.1338 119.0777 58.8111 32.1404 177.9649 70 T 4.3253 7.5483 105.3714 61.1227 69.8996 174.2242 71 A 3.8763 7.9810 126.7358 52.7370 18.4327 177.0644 72 T 4.2264 8.4002 121.0726 62.3340 68.6470 174.1252 73 Y 4.7800 7.1716 125.5115 55.8378 40.4551 174.6420 74 T 4.9265 9.4064 116.8642 62.1373 70.6793 173.8518 75 Y 5.3808 8.3100 123.1035 56.4194 41.4940 173.4798 76 S 4.2715 8.8895 112.9806 57.2726 66.9784 172.9337 77 F 5.1140 8.5824 119.6061 56.1483 40.3490 175.7113 78 E 4.5520 9.3886 124.7697 55.2798 31.2319 178.1831 79 N 4.4872 9.1967 127.0426 54.2444 35.8128 176.8437 80 G 4.0577 9.1720 117.0078 46.7799 0.0000 173.8810 81 D 4.6116 7.8396 120.3273 54.8334 42.1321 175.5718 82 I 4.6666 8.3137 122.5473 59.8895 38.9831 175.1605 83 V 4.3364 8.7871 127.4627 61.1224 33.9287 173.7995 84 C 4.9308 8.9556 126.1525 56.7779 40.7514 173.8519 85 G 3.9765 9.1067 109.8086 46.0564 0.0000 173.5305 86 D 4.6259 7.9285 121.0891 54.0113 41.8448 176.7197 *88 N 4.8954 8.5272 118.2954 52.8914 39.2608 175.4905 89 D 4.3459 7.9404 118.2968 54.1447 42.2402 176.6366 90 L 3.9417 8.5905 127.0097 58.1342 41.7727 180.1080 91 C 4.2433 8.1983 117.8190 59.6157 44.2796 175.4128 92 L 3.9919 7.9784 120.3484 57.7020 41.1165 179.5268 93 R 3.7724 8.3056 118.6813 59.3680 30.0782 178.4226 94 A 3.9063 8.0853 120.6692 55.1115 18.3519 179.8446 95 V 3.4730 7.8556 116.7791 66.1911 31.5479 177.4333 96 C 3.0688 8.0363 118.4081 59.3388 40.9134 175.4555 97 E 3.7481 8.2155 120.3174 59.3781 28.9904 178.7344 98 C 4.1904 8.0558 116.6412 60.0174 36.9084 175.8624 99 D 3.7486 7.9032 120.4169 57.0295 40.3925 178.6192 100 R 3.7966 8.1024 119.3130 59.5597 30.0794 178.3168 101 A 3.9620 7.8900 120.1239 55.1829 18.2644 179.5134 102 A 3.9277 8.0924 119.0228 55.1356 18.3991 179.7359 103 A 3.9341 8.7802 119.7894 55.3468 18.4044 179.9560 104 I 3.6573 7.8896 118.3684 64.5581 36.9465 177.7925 105 C 4.2375 7.9740 118.2354 59.7268 37.9973 175.3167 106 L 4.1334 8.2182 120.8935 57.7306 40.8850 179.7281 107 G 3.6366 8.2377 105.7788 47.8418 0.0000 175.3825 108 E 4.0553 8.3568 120.7143 58.0389 29.8608 177.1063 109 N 5.0006 7.6855 114.3900 52.7249 39.3820 176.8017 110 V 3.8662 7.6906 121.2001 64.3627 31.5605 178.2091 111 N 4.4216 8.3225 117.5564 55.1570 37.2253 175.5701 112 T 4.4817 7.8619 106.7949 60.9568 69.2004 173.6440 113 Y 3.8907 7.7892 123.9157 58.4736 39.0998 174.9707 114 D 4.8216 9.0739 127.2840 52.0773 42.4922 176.6211 115 K 4.1363 8.7941 127.2319 59.4188 32.2438 178.8251 116 N 4.3787 8.1122 115.1807 55.4605 38.5155 175.2271 117 Y 3.6027 7.4912 115.5856 57.4047 38.2429 175.2390 118 E 4.1401 7.4671 120.7932 57.5035 30.0064 176.2772 119 Y 3.6569 8.2362 119.5122 58.9903 35.8643 169.5682 120 Y 4.1025 8.0370 116.9170 58.3254 38.8089 175.8921 121 S 4.8478 8.0622 115.9075 56.8458 66.2186 173.8727 122 I 3.5865 8.4044 118.3536 64.5337 37.8012 178.4063 *124 S 4.3914 7.8869 114.3316 58.3160 64.4602 174.0985 125 H 4.3779 7.9830 115.2870 56.2271 29.5521 174.6128 126 C 5.0617 7.4737 116.4486 55.8884 40.0890 173.9066 127 T 4.1052 7.6910 110.8740 63.6157 70.1388 175.8853 128 E 3.9645 7.9944 121.0506 55.0897 30.4697 176.2892 129 E 4.2358 8.5166 118.8984 56.3316 30.1091 177.3398 130 S 5.0528 8.3627 117.3413 58.1660 63.6052 174.0519 131 E 4.0336 7.8971 121.8142 56.1658 29.7377 176.5265 132 Q 4.8773 8.0484 119.2961 54.2732 31.4090 176.7423 133 C 4.5261 8.8373 117.4450 57.4215 41.3040 173.6747 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 1 N 8.18 5.34 0.00 3.06 3.03 0.00 0.00 6.12 5.79 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 2 L 8.31 4.06 0.00 1.60 1.82 0.98 0.94 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 3 F 8.84 4.55 0.00 3.30 3.04 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 0.00 0.00 0.00 4 Q 8.47 4.18 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 5 F 8.58 4.57 0.00 3.31 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 3.58 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 0.00 0.00 0.00 7 D 8.23 4.46 0.00 3.05 3.17 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 8 M 8.23 4.46 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 9 I 7.93 3.49 1.76 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.21 0.64 0.00 0.00 10 L 7.98 4.16 0.00 1.85 1.87 0.95 0.39 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 11 Q 7.81 3.93 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 1.44 2.23 0.00 12 K 7.83 4.30 0.00 1.77 1.84 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.22 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.72 7.81 13 T 8.01 4.40 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 1.15 0.00 0.00 14 G 8.44 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 0.00 0.00 0.00 *16 K 7.49 4.27 0.00 1.95 1.70 0.00 1.46 0.00 0.00 0.93 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.24 7.81 17 E 8.49 4.41 0.00 2.09 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 2.45 2.45 0.00 18 A 8.98 4.23 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 19 V 8.26 3.72 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 1.01 0.00 0.00 0.92 0.00 0.00 20 H 7.85 4.92 0.00 3.28 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.58 4.56 0.00 3.52 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 22 Y 8.23 4.19 0.00 3.07 3.09 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 23 A 8.33 4.30 1.44 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 0.00 0.00 24 I 7.94 4.52 1.47 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.89 0.90 0.00 0.00 25 Y 8.18 4.57 0.00 3.13 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 26 G 7.48 3.65 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 0.00 0.00 0.00 27 C 9.26 4.57 0.00 2.93 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 28 Y 8.51 4.31 0.00 3.22 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 29 C 8.37 4.67 0.00 3.50 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 30 G 8.82 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 31 W 8.15 4.42 0.00 3.50 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 32 G 7.92 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 0.00 0.00 0.00 33 G 7.11 3.38 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 0.00 34 Q 7.12 4.48 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.35 0.00 0.00 0.00 0.00 0.00 2.17 2.47 0.00 35 G 8.81 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 0.00 0.00 0.00 36 R 8.01 4.84 0.00 1.89 1.82 0.00 3.18 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 37 A 8.31 4.44 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 38 Q 8.96 3.91 0.00 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 2.27 1.64 0.00 39 D 7.45 4.50 0.00 2.88 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 40 A 8.83 4.01 1.42 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 0.00 0.00 41 T 8.05 3.83 4.40 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 1.07 0.00 0.00 42 D 8.76 4.55 0.00 3.05 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 43 R 8.27 3.98 0.00 2.08 2.00 0.00 3.17 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 44 C 8.10 4.29 0.00 3.22 3.14 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 0.00 45 C 8.08 4.27 0.00 3.27 3.43 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 46 F 8.57 3.82 0.00 2.48 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 47 A 8.23 3.69 1.31 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 0.00 0.00 48 Q 7.96 3.58 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 1.20 1.74 0.00 49 D 7.75 4.07 0.00 2.58 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 50 C 7.32 4.08 0.00 2.82 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 51 C 7.93 4.28 0.00 2.96 3.09 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 52 Y 8.28 4.26 0.00 3.14 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 53 G 7.92 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 0.00 0.00 0.00 54 R 7.69 4.44 0.00 1.87 1.95 0.00 3.13 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 55 V 7.13 3.96 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 0.70 0.00 0.00 0.89 0.00 0.00 56 N 8.41 4.19 0.00 2.79 2.62 0.00 0.00 6.78 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 *59 D 8.77 4.99 0.00 2.71 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 *61 C 7.74 5.16 0.00 3.10 3.23 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 *67 N 8.14 4.78 0.00 2.72 2.76 0.00 0.00 7.67 7.71 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 68 P 0.00 3.92 0.00 1.06 0.71 0.00 3.51 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 1.59 1.72 0.00 69 K 8.13 4.01 0.00 1.75 1.88 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.34 7.81 70 T 7.55 4.33 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 1.19 0.00 0.00 71 A 7.98 3.88 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 72 T 8.40 4.23 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 1.15 0.00 0.00 73 Y 7.17 4.78 0.00 3.14 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 74 T 9.41 4.93 4.42 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 1.23 0.00 0.00 75 Y 8.31 5.38 0.00 3.00 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 76 S 8.89 4.27 0.00 3.81 3.81 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 77 F 8.58 5.11 0.00 3.03 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 78 E 9.39 4.55 0.00 2.00 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 2.24 2.26 0.00 79 N 9.20 4.49 0.00 2.92 2.42 0.00 0.00 6.98 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 80 G 9.17 4.06 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 0.00 81 D 7.84 4.61 0.00 2.87 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 82 I 8.31 4.67 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.81 0.00 0.00 83 V 8.79 4.34 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 0.98 0.00 0.00 0.98 0.00 0.00 84 C 8.96 4.93 0.00 2.99 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 85 G 9.11 3.98 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 0.00 0.00 0.00 86 D 7.93 4.63 0.00 2.74 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 *88 N 8.53 4.90 0.00 2.83 2.99 0.00 0.00 6.33 8.06 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 89 D 7.94 4.35 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 3.94 0.00 1.71 1.69 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.20 4.24 0.00 2.97 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 92 L 7.98 3.99 0.00 1.75 1.96 1.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.31 3.77 0.00 2.06 2.08 0.00 3.07 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 94 A 8.09 3.91 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 V 7.86 3.47 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 0.98 0.00 0.00 0.86 0.00 0.00 96 C 8.04 3.07 0.00 2.06 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 97 E 8.22 3.75 0.00 2.06 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 2.46 2.43 0.00 98 C 8.06 4.19 0.00 3.22 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 99 D 7.90 3.75 0.00 2.62 2.70 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 0.00 100 R 8.10 3.80 0.00 1.74 2.04 0.00 3.18 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 101 A 7.89 3.96 1.31 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 0.00 0.00 102 A 8.09 3.93 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 0.00 103 A 8.78 3.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 3.66 2.01 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 1.43 0.70 0.92 0.00 0.00 105 C 7.97 4.24 0.00 3.09 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 0.00 106 L 8.22 4.13 0.00 1.62 1.30 0.31 1.07 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 0.00 107 G 8.24 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 0.00 108 E 8.36 4.06 0.00 1.98 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 0.00 2.34 2.36 0.00 109 N 7.69 5.00 0.00 2.85 2.83 0.00 0.00 6.63 7.16 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 0.00 110 V 7.69 3.87 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 0.80 0.00 0.00 0.93 0.00 0.00 111 N 8.32 4.42 0.00 2.87 3.03 0.00 0.00 5.90 7.71 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 0.00 112 T 7.86 4.48 4.32 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 1.26 0.00 0.00 113 Y 7.79 3.89 0.00 3.06 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 0.00 114 D 9.07 4.82 0.00 2.55 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 0.00 0.00 0.00 0.00 115 K 8.79 4.14 0.00 1.90 1.91 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.48 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.93 1.61 7.81 116 N 8.11 4.38 0.00 2.42 2.65 0.00 0.00 6.96 7.02 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 0.00 117 Y 7.49 3.60 0.00 1.50 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 0.00 118 E 7.47 4.14 0.00 2.13 1.63 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 2.39 2.30 0.00 119 Y 8.24 3.66 0.00 3.25 3.18 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 0.00 120 Y 8.04 4.10 0.00 2.90 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 0.00 121 S 8.06 4.85 0.00 4.00 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 0.00 122 I 8.40 3.59 1.92 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 1.42 1.33 0.93 0.00 0.00 *124 S 7.89 4.39 0.00 3.78 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 0.00 125 H 7.98 4.38 0.00 2.42 2.42 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.47 5.06 0.00 2.84 3.18 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 0.00 127 T 7.69 4.11 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 1.23 0.00 0.00 128 E 7.99 3.96 0.00 2.05 1.95 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 2.41 2.35 0.00 129 E 8.52 4.24 0.00 2.05 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 2.39 0.00 130 S 8.36 5.05 0.00 3.96 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 0.00 131 E 7.90 4.03 0.00 1.16 1.12 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 2.10 1.47 0.00 132 Q 8.05 4.88 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 133 C 8.84 4.53 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.