NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3810 8.1927 115.2819 57.8479 63.6084 174.3473 4 L 3.7978 8.4280 129.5894 57.3812 41.9375 177.3112 5 A 3.9672 8.0797 120.7129 55.2729 18.9733 179.0682 6 R 3.8849 8.0085 116.7350 59.0943 30.0661 178.6843 7 A 4.1400 7.7925 120.4508 55.3448 18.5293 179.6558 8 V 3.5819 8.0078 116.9110 66.1542 31.5009 177.7855 9 E 3.9892 8.3317 119.0760 59.4229 29.3749 179.1192 10 R 4.0501 8.0203 118.0065 59.1050 30.2104 178.7745 11 L 4.0194 8.1635 120.3093 57.9117 41.8767 179.0247 12 K 3.9731 8.3642 119.5011 59.4619 31.9780 178.5174 13 A 4.0165 7.9643 119.7053 55.3359 18.3724 179.1977 14 A 4.1917 7.9623 118.9622 55.1240 18.3898 179.2765 15 L 4.2812 7.7277 114.3885 56.3008 41.9056 178.2569 16 E 4.3478 7.7400 117.9083 56.5969 30.3064 176.8487 17 R 4.2334 7.0927 118.3046 54.6766 30.8620 174.7390 18 P 4.3382 0.0000 0.0000 62.6474 31.7730 175.9107 19 K 4.1112 8.5259 122.5691 56.1899 32.7128 176.2196 20 D 4.7687 8.2231 125.0537 50.6424 43.7761 175.6249 21 E 3.7470 8.6362 118.7575 59.9140 29.0682 179.4766 22 F 4.1816 7.8799 117.8806 60.3336 39.1536 177.6783 23 I 3.8400 8.8196 120.0054 64.0857 36.8879 178.3658 24 R 3.5555 8.1940 120.0381 59.6661 29.8368 178.4680 25 D 4.4417 8.3159 118.9846 57.1430 40.6679 178.9560 26 S 4.1872 8.2894 114.9439 61.3527 63.0340 176.4220 27 A 4.0715 8.3060 124.4433 55.0213 18.2896 179.6843 28 I 3.7765 7.9008 118.3166 64.5084 37.0216 178.4333 29 Q 4.3040 8.2499 121.9395 58.9108 29.0109 178.6652 30 R 2.5214 8.3628 119.2845 58.4900 29.9289 178.8106 31 F 4.2788 8.2201 120.8328 61.0864 39.0692 176.9182 32 E 3.7536 7.9092 118.3111 59.3624 29.3703 179.3343 33 F 4.4482 7.7318 114.6339 60.2746 37.9510 177.6496 34 T 3.8596 7.1994 116.3015 66.3782 68.0738 176.4847 35 F 4.0963 8.1214 122.7353 60.8210 39.3342 176.9983 36 E 4.3669 8.4129 119.2637 59.4785 29.7207 178.6584 37 L 3.8787 8.5117 120.4060 57.6781 42.0791 178.8168 38 A 3.8708 7.8917 121.2929 54.9018 18.4615 179.7112 39 W 4.0330 8.1590 115.2941 59.4838 28.1224 178.6305 40 K 2.9841 6.9286 118.8564 58.9067 31.2831 179.4624 41 T 3.7583 7.3867 115.9991 66.4302 68.3497 176.6773 42 L 3.8858 7.6538 120.7571 57.5104 41.6187 179.2448 43 K 3.8215 7.8685 119.5023 60.0539 31.8681 178.6561 44 T 3.7979 7.6029 114.2815 66.6025 68.6384 176.0419 45 F 4.1681 8.0840 122.2416 61.4081 39.4716 177.0492 46 L 3.9727 8.5539 118.9302 58.0533 41.4331 179.5576 47 E 4.7547 8.2878 119.7700 58.8065 29.1495 179.0878 48 L 3.9376 7.3778 118.9588 57.4130 42.1958 178.0442 49 Q 4.1752 7.5360 115.4344 55.8134 29.0367 176.1471 50 G 3.8612 7.9931 108.3801 45.4798 0.0000 173.1932 51 L 4.7900 8.1738 118.8893 52.5098 44.6198 175.2366 52 E 4.7679 8.5031 119.2413 54.8601 31.0521 176.4466 53 A 4.6174 8.1685 125.2116 50.3057 19.7091 176.1151 54 R 4.1280 8.6750 119.9918 59.1485 30.7233 177.7963 55 S 4.6968 7.6172 110.6727 55.0749 67.4716 172.6690 56 P 3.7920 0.0000 0.0000 65.7767 30.8655 178.9508 57 R 3.9245 7.7921 116.5763 59.0284 29.9960 178.3760 58 A 3.9463 7.5874 119.4394 55.0712 18.4620 179.3811 59 A 3.9769 8.3366 119.6735 55.3768 18.4118 179.9822 60 I 3.1055 7.6812 118.1874 64.3888 37.3149 178.7372 61 R 3.9859 7.9462 119.6041 59.2244 29.8716 178.8173 62 G 3.6042 8.4085 106.0155 46.9225 0.0000 175.6624 63 A 4.0079 7.9026 123.0334 54.7961 18.2357 179.6311 64 F 4.7684 7.8028 117.8335 60.4215 38.5811 177.7751 65 Q 4.1392 8.2953 117.0991 59.2419 28.2038 178.2297 66 V 4.0330 7.8571 118.2012 61.5263 31.7419 176.6818 67 G 3.9213 7.8583 107.5008 46.5906 0.0000 175.0338 68 L 3.9655 8.4472 122.7573 57.1242 42.1645 177.0257 69 L 4.7856 7.3434 118.0449 51.9966 43.9063 174.2529 70 P 4.5862 0.0000 0.0000 62.2410 32.1473 176.9443 71 E 3.1170 8.4497 120.0763 56.3565 27.4248 174.3683 72 D 4.8326 7.6117 121.2200 51.2058 43.1313 174.8768 73 P 4.4612 0.0000 0.0000 65.2671 31.1420 178.2206 74 F 4.2973 9.1849 120.2313 60.8181 38.9295 176.9892 75 W 3.9568 8.3770 118.2663 59.7653 29.3067 178.0690 76 L 4.3394 8.2105 118.4864 57.3386 41.0773 179.2426 77 E 4.2219 7.6565 120.0446 56.0123 29.2373 178.4264 *79 L 3.6874 8.1504 119.8540 54.5615 43.7826 178.4447 80 E 3.9577 7.7960 116.1172 59.2475 29.6076 179.0480 81 L 4.0542 7.8384 119.2801 57.5071 41.4756 179.3438 82 R 3.8692 7.6632 118.2602 59.6081 29.7843 178.0681 83 N 4.4365 7.8454 113.9957 55.0590 38.8618 176.3024 84 L 4.5262 7.5858 119.5290 55.0796 42.0076 178.2669 85 T 3.9965 7.5706 110.6267 63.9454 68.5620 174.3813 86 N 4.7224 7.8202 116.7059 53.0291 37.9338 174.7509 87 H 4.1037 7.8811 115.5179 55.9107 28.5057 176.2871 88 T 3.8529 7.4094 107.8590 62.3224 67.9085 175.7361 89 Y 4.0750 6.7010 121.7632 59.4827 38.4232 176.0033 90 D 4.6169 7.0176 121.3124 53.0132 40.9149 176.0184 91 E 3.9787 8.6706 127.2094 59.0129 29.6472 178.9095 92 A 4.0035 8.1952 121.1985 54.6966 18.3069 179.4739 93 L 3.8074 8.1823 118.8297 58.1677 42.2382 178.7231 94 A 3.9530 7.9973 120.2746 55.5603 18.2090 179.3262 95 E 3.9298 8.0913 116.7631 59.5856 29.2874 179.6574 96 R 3.9471 7.6273 117.5271 59.1828 30.3156 178.4643 97 I 3.7448 7.9671 120.0367 64.4017 37.1684 177.5539 98 Y 3.8995 8.0779 120.1519 60.6991 38.3929 178.0187 99 A 4.0572 8.0233 120.0634 54.1622 18.8554 178.2370 100 E 4.3456 7.9270 115.8726 56.5617 30.2577 178.0068 101 L 3.7859 7.4212 120.1430 57.1063 41.5138 177.4481 102 P 4.1843 0.0000 0.0000 65.4282 31.1033 178.7897 103 K 3.9701 7.7810 116.7037 59.0212 31.9297 179.1759 104 A 3.8312 7.7397 120.9214 54.9048 18.2487 179.0732 105 L 4.0574 8.0936 119.3401 58.6421 41.9841 178.8308 106 E 4.1069 7.8201 117.8003 59.7942 29.3614 179.7417 107 R 4.0005 7.3989 117.5981 59.2547 29.9618 179.1105 108 F 4.7459 7.9267 117.4422 61.0653 39.1053 177.7654 109 Q 4.0967 8.6845 117.9813 59.0050 28.4915 178.6053 110 E 4.0373 8.6552 120.8133 59.0753 29.4939 178.7111 111 L 4.0103 8.5019 120.8752 58.1934 42.0252 178.8223 112 L 4.0144 8.1097 118.0445 58.0249 41.8353 179.4730 113 R 4.1567 8.0451 117.6254 58.8954 29.9305 178.4890 114 R 4.2453 7.8419 115.3313 57.2045 30.2910 177.4892 115 L 4.2152 7.2914 118.2517 53.7262 41.9714 176.2502 116 E 4.1726 7.9078 124.7620 56.9307 30.0367 174.1428 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 3 S 8.19 4.38 0.00 3.85 3.79 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 4 L 8.43 3.80 0.00 1.82 1.62 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.08 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.01 3.88 0.00 1.97 1.93 0.00 3.22 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 7 A 7.79 4.14 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.01 3.58 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 1.10 0.00 0.00 0.94 0.00 0.00 9 E 8.33 3.99 0.00 2.22 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 0.00 2.35 2.39 0.00 10 R 8.02 4.05 0.00 2.32 2.16 0.00 3.20 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 11 L 8.16 4.02 0.00 1.78 1.91 1.01 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.36 3.97 0.00 2.02 1.97 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.49 7.81 13 A 7.96 4.02 1.41 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 0.00 0.00 0.00 14 A 7.96 4.19 1.45 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 0.00 0.00 0.00 15 L 7.73 4.28 0.00 1.66 1.69 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.74 4.35 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 2.31 2.65 0.00 17 R 7.09 4.23 0.00 1.97 1.91 0.00 3.37 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 18 P 0.00 4.34 0.00 2.20 2.08 0.00 3.80 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 2.02 1.98 0.00 19 K 8.53 4.11 0.00 1.80 1.76 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 0.89 7.81 20 D 8.22 4.77 0.00 2.95 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 21 E 8.64 3.75 0.00 1.85 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 0.00 1.93 1.47 0.00 22 F 7.88 4.18 0.00 3.33 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 23 I 8.82 3.84 2.02 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 1.64 1.32 1.03 0.00 0.00 24 R 8.19 3.56 0.00 1.41 1.79 0.00 2.94 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.03 0.00 25 D 8.32 4.44 0.00 2.74 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 26 S 8.29 4.19 0.00 4.17 4.29 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 27 A 8.31 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.90 3.78 2.08 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 1.46 1.34 0.99 0.00 0.00 29 Q 8.25 4.30 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 30 R 8.36 2.52 0.00 1.93 1.73 0.00 3.27 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 31 F 8.22 4.28 0.00 3.13 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 32 E 7.91 3.75 0.00 2.30 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 0.00 2.36 2.62 0.00 33 F 7.73 4.45 0.00 3.15 3.36 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 34 T 7.20 3.86 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 0.28 0.00 0.00 35 F 8.12 4.10 0.00 2.77 2.90 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 36 E 8.41 4.37 0.00 2.45 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 2.46 2.48 0.00 37 L 8.51 3.88 0.00 1.84 1.60 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.89 3.87 1.34 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 0.00 0.00 39 W 8.16 4.03 0.00 3.45 2.89 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 0.00 0.00 0.00 40 K 6.93 2.98 0.00 1.34 1.42 0.00 1.40 0.00 0.00 1.36 0.00 0.00 2.85 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.34 0.22 7.81 41 T 7.39 3.76 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 1.14 0.00 0.00 42 L 7.65 3.89 0.00 1.82 1.62 0.54 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.87 3.82 0.00 1.83 1.76 0.00 1.87 0.00 0.00 1.42 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.57 7.81 44 T 7.60 3.80 4.36 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 1.18 0.00 0.00 45 F 8.08 4.17 0.00 3.10 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 46 L 8.55 3.97 0.00 1.82 1.72 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.29 4.75 0.00 1.96 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 2.44 2.36 0.00 48 L 7.38 3.94 0.00 1.57 1.61 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.54 4.18 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.97 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 50 G 7.99 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 0.00 0.00 0.00 51 L 8.17 4.79 0.00 1.76 1.54 0.93 0.75 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 52 E 8.50 4.77 0.00 1.95 1.87 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 2.23 2.28 0.00 53 A 8.17 4.62 1.27 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 54 R 8.67 4.13 0.00 1.82 2.03 0.00 3.23 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 55 S 7.62 4.70 0.00 3.83 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 56 P 0.00 3.79 0.00 1.83 1.53 0.00 3.17 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.00 57 R 7.79 3.92 0.00 1.84 1.90 0.00 3.19 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 58 A 7.59 3.95 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 59 A 8.34 3.98 1.53 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 0.00 0.00 0.00 60 I 7.68 3.11 1.75 0.00 0.00 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 1.15 1.24 0.45 0.00 0.00 61 R 7.95 3.99 0.00 2.13 2.02 0.00 3.35 0.00 0.00 3.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 62 G 8.41 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 63 A 7.90 4.01 1.02 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 0.00 0.00 0.00 0.00 0.00 64 F 7.80 4.77 0.00 3.27 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 Q 8.30 4.14 0.00 2.37 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 66 V 7.86 4.03 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.99 0.00 0.00 67 G 7.86 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 68 L 8.45 3.97 0.00 1.53 1.59 0.41 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.34 4.79 0.00 1.68 1.60 -0.52 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.59 0.00 2.23 2.11 0.00 3.97 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 71 E 8.45 3.12 0.00 1.83 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 2.02 2.09 0.00 72 D 7.61 4.83 0.00 2.82 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 73 P 0.00 4.46 0.00 2.27 2.14 0.00 3.72 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 2.13 2.12 0.00 74 F 9.18 4.30 0.00 3.08 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 75 W 8.38 3.96 0.00 3.90 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 76 L 8.21 4.34 0.00 1.95 1.78 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.66 4.22 0.00 1.88 1.73 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 1.70 2.01 0.00 *79 L 8.15 3.69 0.00 2.05 1.83 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.80 3.96 0.00 1.94 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 2.31 2.46 0.00 81 L 7.84 4.05 0.00 1.62 1.55 0.62 0.67 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 82 R 7.66 3.87 0.00 0.92 1.63 0.00 3.05 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 83 N 7.85 4.44 0.00 2.83 2.83 0.00 0.00 7.05 7.87 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 84 L 7.59 4.53 0.00 1.80 1.65 0.87 0.45 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 85 T 7.57 4.00 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 1.45 0.00 0.00 86 N 7.82 4.72 0.00 2.83 2.94 0.00 0.00 5.93 7.90 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 87 H 7.88 4.10 0.00 3.18 2.94 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.41 3.85 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 1.15 0.00 0.00 89 Y 6.70 4.07 0.00 3.11 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 90 D 7.02 4.62 0.00 2.87 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 91 E 8.67 3.98 0.00 2.03 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 2.34 2.36 0.00 92 A 8.20 4.00 1.34 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 0.00 0.00 93 L 8.18 3.81 0.00 1.71 1.82 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.00 3.95 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 95 E 8.09 3.93 0.00 2.18 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 2.45 2.41 0.00 96 R 7.63 3.95 0.00 1.90 2.10 0.00 3.23 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 97 I 7.97 3.74 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.70 0.00 0.00 98 Y 8.08 3.90 0.00 3.04 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 99 A 8.02 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 0.00 100 E 7.93 4.35 0.00 1.96 2.05 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 2.37 2.44 0.00 101 L 7.42 3.79 0.00 1.38 1.54 0.87 0.26 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 0.00 102 P 0.00 4.18 0.00 2.01 1.98 0.00 3.44 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 103 K 7.78 3.97 0.00 1.61 1.09 0.00 1.17 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.26 1.21 7.81 104 A 7.74 3.83 1.23 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 0.00 105 L 8.09 4.06 0.00 1.86 1.91 1.07 0.89 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 0.00 106 E 7.82 4.11 0.00 2.14 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 2.30 2.44 0.00 107 R 7.40 4.00 0.00 1.47 1.32 0.00 3.11 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 1.08 1.73 0.00 108 F 7.93 4.75 0.00 3.32 3.03 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 0.00 109 Q 8.68 4.10 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 110 E 8.66 4.04 0.00 2.23 2.28 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 2.47 2.50 0.00 111 L 8.50 4.01 0.00 2.22 2.13 0.75 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.11 4.01 0.00 1.91 1.76 0.97 1.26 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 0.00 113 R 8.05 4.16 0.00 1.93 1.99 0.00 3.14 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 114 R 7.84 4.25 0.00 1.77 2.01 0.00 3.20 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 115 L 7.29 4.22 0.00 1.71 1.63 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.91 4.17 0.00 2.14 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 2.25 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.