NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3552 0.0000 0.0000 62.6251 32.6531 175.0137 2 Q 4.2976 8.3754 120.3245 54.1706 30.2857 173.4973 3 I 4.4506 7.9412 125.1073 59.5654 40.6295 175.2128 4 T 4.3221 8.3961 115.9183 61.2926 69.8783 174.1620 5 L 4.8681 8.0709 117.6799 54.2639 42.5250 178.0453 *6 W 4.1078 8.1994 120.6404 58.7070 28.8204 176.1783 7 Q 4.7165 7.6140 115.2343 53.2230 31.3905 175.3457 8 R 3.9087 8.6006 119.2613 56.8001 31.0202 176.2296 9 P 4.6473 0.0000 0.0000 62.0636 29.8324 173.8763 10 L 4.9363 7.7035 124.2350 54.8569 43.1677 177.0224 11 V 4.5632 8.8093 116.4930 59.3878 36.4379 175.1366 12 T 4.3590 8.6933 120.5697 64.5344 69.4841 173.0212 13 I 5.1891 8.7831 118.0454 59.0015 41.7982 173.8852 14 K 5.1483 8.9062 124.1301 54.8727 35.3904 174.7641 15 I 4.5434 8.7764 127.1110 59.9541 41.7541 175.0356 16 G 3.9910 9.6883 117.3266 46.8066 0.0000 174.0359 17 G 3.8953 8.5565 104.7208 45.4654 0.0000 173.9624 18 Q 4.6822 7.9926 117.8924 53.5979 31.6976 174.3871 19 L 5.1214 8.2423 120.6756 53.7210 43.4136 175.9729 20 K 4.7143 8.6619 121.0255 54.9556 37.2344 175.2074 21 E 4.7390 8.6936 120.7346 56.3617 30.5944 175.9733 22 A 4.7519 8.4825 122.7390 50.7994 23.5797 174.8290 23 L 4.8337 8.7274 122.6184 53.3772 43.8021 175.6899 24 L 4.3370 8.3741 127.4865 54.8644 42.2717 176.6772 25 D 4.8435 9.1466 125.1580 52.2146 42.2538 176.1730 26 T 4.0524 8.6633 114.8338 63.2052 69.2152 175.7156 27 G 3.9088 8.2056 110.6807 45.3946 0.0000 172.9891 28 A 4.6610 7.9061 122.2115 50.0415 21.6557 177.5548 29 D 4.3422 9.0126 122.5813 56.9335 42.4219 175.8852 30 D 5.8309 7.9252 116.2718 52.0588 44.8714 174.8073 31 T 5.1909 8.3123 115.1994 62.0756 71.4673 174.5853 32 V 5.0627 8.8954 125.2098 60.4003 34.6270 174.1443 33 L 5.0459 9.0328 126.1941 52.6648 43.9039 176.2376 34 E 4.4498 9.2646 121.8167 55.8057 30.3519 176.8507 35 E 3.9381 8.5314 120.5719 57.6267 30.0416 176.5571 36 M 4.4670 8.3865 122.1181 55.4724 33.9087 173.9651 37 S 4.7348 8.2758 115.0029 56.5325 63.8924 170.2786 38 L 4.6634 7.9117 123.9338 51.4852 45.3995 174.3875 39 P 4.5150 0.0000 0.0000 63.0589 32.3170 174.9431 40 G 3.8672 8.7690 104.9831 44.8321 0.0000 173.2322 41 R 4.5020 8.1524 118.0805 54.8948 31.4465 175.7874 42 W 5.2297 7.4211 114.9310 54.8810 31.4898 174.3519 43 K 4.6522 8.7920 120.0312 53.7011 35.1895 174.0531 44 P 5.1232 0.0000 0.0000 63.0393 32.3174 175.2822 45 K 4.7642 9.2146 122.5628 55.1787 36.6252 174.1585 46 M 5.3833 8.7219 123.0227 53.7300 34.4127 174.4758 47 I 4.8353 8.5688 119.3245 59.5185 41.3529 174.6396 48 G 3.6034 8.0412 107.8002 44.1282 0.0000 171.8861 49 G 4.0044 8.0308 114.0468 44.6727 0.0000 175.0827 50 I 3.8567 8.3885 130.6272 63.5605 36.5246 175.2091 51 G 4.0156 8.8438 114.6270 45.5403 0.0000 171.2722 52 G 3.8184 7.2281 104.8551 43.6081 0.0000 173.0688 53 F 5.4111 8.6934 116.4947 55.7648 42.4910 174.9227 54 I 4.8177 9.0806 116.2456 59.8397 41.5064 174.8347 *55 K 4.6340 8.6774 126.9289 54.4316 32.5051 177.2646 56 V 4.6880 8.7761 118.4356 58.6152 36.0854 174.7599 57 R 4.9369 8.9021 121.6003 54.6812 32.5054 175.0145 58 Q 4.8596 9.2460 126.1131 54.8988 30.9567 173.6992 59 Y 5.1265 8.8900 123.7929 56.4356 40.8773 174.4491 60 D 5.2242 8.7345 121.8014 52.8270 43.7574 176.0282 61 Q 3.4619 8.3558 118.4789 57.2075 26.2333 173.7018 62 I 4.4598 8.1675 118.9194 59.7669 39.9156 176.3974 63 L 4.9909 8.4206 128.3298 54.1325 43.3435 175.6305 64 I 4.7275 8.9595 126.4590 59.5197 41.4636 174.1453 65 E 4.7716 9.0854 127.7854 54.9204 30.8550 174.4668 66 I 4.2050 8.4673 129.4051 60.5644 38.7458 176.3053 67 C 4.3012 9.7866 126.1244 60.6918 26.2902 174.5933 68 G 3.9568 8.5341 105.8186 43.5142 0.0000 173.5398 69 H 4.7671 8.3675 118.2800 53.9137 30.2136 174.2925 70 K 4.6280 8.5422 123.7480 56.1996 32.9155 176.3380 71 A 4.7670 8.9691 125.5586 50.3291 22.9984 174.6849 72 I 4.8670 8.0246 121.8566 59.8498 40.0266 175.2961 73 G 4.0732 8.4688 112.6980 46.0766 0.0000 172.4861 74 T 4.7735 8.6535 116.2995 63.7118 69.6245 174.7782 75 V 4.5030 8.7329 123.6099 61.3361 35.3320 174.0461 76 L 5.0762 9.7054 128.7007 53.6038 43.9109 175.6303 77 V 4.7570 8.4400 122.7116 61.6142 34.0423 174.8733 78 G 3.8041 8.2719 113.9895 45.2640 0.0000 170.8426 79 P 4.8900 0.0000 0.0000 61.9986 29.8177 175.3847 80 T 4.4307 7.2625 115.2235 60.7108 69.0767 172.7040 81 P 4.5132 0.0000 0.0000 64.1723 31.9093 176.4914 82 V 4.6099 7.5863 117.7809 60.0945 34.4423 173.7547 83 N 4.6640 8.6960 119.8159 53.5146 39.9125 173.8905 84 I 4.7573 8.7851 124.4023 59.5863 40.3847 174.7440 85 I 4.3138 8.8091 129.8604 60.5861 38.4178 176.2134 86 G 4.8947 8.8042 116.7728 44.3216 0.0000 173.9433 87 R 4.1465 9.0105 118.4663 58.8880 30.3923 179.0787 88 N 4.4081 8.1650 115.2149 55.1534 37.6515 176.7496 89 L 4.2931 7.8329 118.0194 56.4328 42.5948 178.3698 90 L 3.9897 8.0007 119.2876 58.1428 41.5438 179.6743 91 T 3.9013 8.0539 109.6042 64.9896 68.3940 176.6066 92 Q 4.0306 8.1151 120.1113 57.8629 28.8328 177.0415 93 I 4.1543 7.7080 108.4943 59.7448 38.6777 174.9211 94 G 3.6684 7.7899 108.3688 46.7454 0.0000 173.5965 95 C 4.5720 7.9177 117.7299 57.7805 33.2390 172.4726 96 T 4.7348 8.0576 115.3042 59.6095 71.6461 172.9055 97 L 4.4881 8.3731 122.2388 53.9219 42.5448 176.2601 98 N 5.0538 8.2939 120.7141 51.2593 41.8100 174.4054 99 F 4.4368 8.1380 115.7570 57.7983 37.2906 173.6115 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 P 0.00 4.36 0.00 2.20 2.13 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 1.88 1.97 0.00 2 Q 8.38 4.30 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 3 I 7.94 4.45 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 1.47 0.79 0.91 0.00 0.00 4 T 8.40 4.32 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 1.22 0.00 0.00 5 L 8.07 4.87 0.00 1.59 1.65 0.90 0.88 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 *6 W 8.20 4.11 0.00 2.46 2.35 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 7 Q 7.61 4.72 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 8 R 8.60 3.91 0.00 1.79 1.89 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 9 P 0.00 4.65 0.00 2.11 2.21 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 10 L 7.70 4.94 0.00 1.54 1.77 0.99 0.92 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 11 V 8.81 4.56 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 0.99 0.00 0.00 0.99 0.00 0.00 12 T 8.69 4.36 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 1.21 0.00 0.00 13 I 8.78 5.19 1.87 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 1.27 0.78 0.96 0.00 0.00 14 K 8.91 5.15 0.00 1.80 1.64 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.33 7.81 15 I 8.78 4.54 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.54 0.87 0.00 0.00 16 G 9.69 3.99 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 0.00 0.00 0.00 17 G 8.56 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 18 Q 7.99 4.68 0.00 2.23 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 19 L 8.24 5.12 0.00 1.51 1.57 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.66 4.71 0.00 1.65 1.62 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.39 7.81 21 E 8.69 4.74 0.00 1.84 1.86 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 2.29 2.30 0.00 22 A 8.48 4.75 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 23 L 8.73 4.83 0.00 1.75 1.65 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.37 4.34 0.00 1.61 1.61 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 D 9.15 4.84 0.00 2.65 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 26 T 8.66 4.05 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 27 G 8.21 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 28 A 7.91 4.66 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 29 D 9.01 4.34 0.00 2.63 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 30 D 7.93 5.83 0.00 2.59 2.60 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 31 T 8.31 5.19 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 32 V 8.90 5.06 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 0.91 0.00 0.00 0.93 0.00 0.00 33 L 9.03 5.05 0.00 1.52 1.56 0.86 0.76 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 34 E 9.26 4.45 0.00 1.77 1.88 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 2.53 2.14 0.00 35 E 8.53 3.94 0.00 1.81 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 2.26 0.00 36 M 8.39 4.47 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 37 S 8.28 4.73 0.00 3.64 3.68 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 0.00 0.00 0.00 0.00 38 L 7.91 4.66 0.00 0.50 0.85 0.25 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.52 0.00 2.23 2.08 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 40 G 8.77 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 41 R 8.15 4.50 0.00 1.71 1.73 0.00 3.14 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 42 W 7.42 5.23 0.00 2.87 1.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 4.65 0.00 1.69 1.66 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.21 7.81 44 P 0.00 5.12 0.00 2.17 2.28 0.00 3.67 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 45 K 9.21 4.76 0.00 1.86 1.69 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.42 7.81 46 M 8.72 5.38 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 47 I 8.57 4.84 1.87 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 1.21 1.20 0.96 0.00 0.00 48 G 8.04 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 49 G 8.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 3.86 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.53 0.88 0.00 0.00 51 G 8.84 4.02 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 0.00 52 G 7.23 3.82 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 0.00 0.00 0.00 53 F 8.69 5.41 0.00 2.87 2.97 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 54 I 9.08 4.82 1.90 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 1.10 0.80 0.93 0.00 0.00 *55 K 8.68 4.63 0.00 1.56 1.65 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.69 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.03 7.81 56 V 8.78 4.69 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 0.69 0.00 0.00 1.04 0.00 0.00 57 R 8.90 4.94 0.00 1.57 1.44 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.14 0.00 58 Q 9.25 4.86 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 59 Y 8.89 5.13 0.00 3.05 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 60 D 8.73 5.22 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 3.46 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 62 I 8.17 4.46 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 1.21 1.07 0.87 0.00 0.00 63 L 8.42 4.99 0.00 1.64 1.56 0.98 0.97 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 64 I 8.96 4.73 1.87 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 1.09 0.70 0.96 0.00 0.00 65 E 9.09 4.77 0.00 2.03 1.84 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 2.23 2.27 0.00 66 I 8.47 4.20 1.88 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 1.23 0.45 0.91 0.00 0.00 67 C 9.79 4.30 0.00 3.09 3.01 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 0.00 0.00 0.00 68 G 8.53 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 69 H 8.37 4.77 0.00 3.33 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.54 4.63 0.00 1.65 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 71 A 8.97 4.77 1.20 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 0.00 0.00 72 I 8.02 4.87 1.88 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 1.29 0.73 0.93 0.00 0.00 73 G 8.47 4.07 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 0.00 0.00 0.00 74 T 8.65 4.77 4.28 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 1.30 0.00 0.00 75 V 8.73 4.50 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 0.96 0.00 0.00 0.94 0.00 0.00 76 L 9.71 5.08 0.00 1.59 1.60 1.01 0.65 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 77 V 8.44 4.76 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 0.84 0.00 0.00 78 G 8.27 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 79 P 0.00 4.89 0.00 2.19 2.10 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 80 T 7.26 4.43 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 1.33 0.00 0.00 81 P 0.00 4.51 0.00 2.20 2.14 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 82 V 7.59 4.61 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 0.65 0.00 0.00 0.92 0.00 0.00 83 N 8.70 4.66 0.00 2.80 2.77 0.00 0.00 6.80 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 84 I 8.79 4.76 1.96 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 1.22 1.03 0.90 0.00 0.00 85 I 8.81 4.31 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 1.16 0.94 0.91 0.00 0.00 86 G 8.80 4.89 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 0.00 0.00 0.00 87 R 9.01 4.15 0.00 1.85 2.00 0.00 3.14 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 88 N 8.17 4.41 0.00 2.91 3.21 0.00 0.00 6.80 6.63 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 89 L 7.83 4.29 0.00 1.71 1.74 0.93 0.68 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 90 L 8.00 3.99 0.00 1.70 1.73 0.92 0.41 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 91 T 8.05 3.90 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 1.25 0.00 0.00 92 Q 8.12 4.03 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 93 I 7.71 4.15 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.56 0.92 0.00 0.00 94 G 7.79 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 95 C 7.92 4.57 0.00 2.95 3.02 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 96 T 8.06 4.73 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 1.21 0.00 0.00 97 L 8.37 4.49 0.00 1.71 1.81 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.29 5.05 0.00 2.68 2.69 0.00 0.00 7.00 7.45 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 99 F 8.14 4.44 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.