NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1895 8.2649 123.5832 50.0463 20.9888 175.5497 2 K 3.7735 7.7871 119.0330 55.2109 31.7890 174.5339 3 Q 4.1765 8.4412 122.0394 58.6354 30.5267 177.6861 4 S 4.2569 7.9109 114.8188 61.7716 62.5843 176.1196 5 M 4.0128 7.9809 122.4023 57.7009 31.6502 178.2261 6 K 4.1314 7.4619 113.9786 57.6860 32.3193 176.9904 7 A 4.5072 7.7767 119.9487 54.5763 20.2968 178.8708 8 R 3.8214 7.4189 115.5219 59.5981 29.8157 178.3625 9 E 3.8207 8.2553 118.1901 59.5833 29.0058 178.6314 10 V 3.5984 7.8974 117.3890 66.3296 31.5236 178.0422 11 K 4.0243 7.8400 117.5573 59.5581 31.7628 179.4872 12 R 3.9596 8.1846 117.3768 59.1520 29.6651 178.7548 13 V 3.7339 7.6033 117.9313 65.7059 31.5861 177.1931 14 A 3.9261 7.8074 118.5366 55.8150 18.0826 179.2394 15 L 4.0376 8.2250 115.7407 58.9316 40.4134 179.1084 16 A 4.3392 7.7205 117.4077 52.7366 17.7433 177.1206 17 D 4.6946 8.0973 116.0012 56.2164 43.1655 177.9681 18 K 3.9944 8.1312 116.9930 58.8360 33.9777 177.2484 19 Y 4.5837 7.6363 112.4074 58.3445 38.1397 178.3618 20 F 4.1210 7.0849 129.2371 61.4572 39.3636 177.8336 21 A 4.0899 7.7338 123.1685 54.8463 18.3450 178.3378 22 K 5.2493 7.7902 111.7556 55.0335 34.8685 177.6142 23 R 4.1492 9.2004 119.6084 58.8416 30.0460 178.0428 24 A 3.5737 7.7535 120.4936 54.9525 18.1377 179.1280 25 E 3.8165 8.1992 116.7346 59.6265 29.5583 179.1418 26 L 3.8991 7.8992 120.2867 58.1717 42.2360 179.3404 27 K 4.0323 7.9136 117.6783 59.5123 32.4503 178.5895 28 A 4.1060 7.9377 121.6989 54.7891 18.1956 179.3486 29 I 3.7925 7.2207 117.7989 64.4240 37.6077 177.5435 30 I 3.7833 7.5366 119.7007 64.8126 37.1429 179.3720 31 S 4.6415 8.2309 113.6971 58.2171 61.9476 173.4491 32 D 4.5555 8.2473 118.3787 52.6030 44.0115 175.0705 33 V 3.7532 8.3170 124.4762 63.8331 30.2856 174.9662 34 N 5.0480 8.2085 125.1008 52.8392 39.9414 175.5129 35 A 4.1926 8.0228 118.8612 52.8111 18.0760 178.9714 *40 R 4.3617 7.8255 115.7567 56.5612 31.7602 177.0269 41 W 4.4223 8.7229 117.2180 57.5544 30.1741 175.5069 42 N 4.2512 8.8482 121.4834 56.5516 38.0236 176.7740 43 A 3.9835 8.0558 121.3150 55.5807 18.1214 179.7241 44 V 3.4424 7.9522 115.9130 66.0624 31.4254 177.8349 45 L 4.0039 7.9080 119.4471 57.9025 42.1816 178.8330 46 K 4.1454 8.6149 118.9877 59.2299 32.1341 179.0741 47 L 4.0036 8.6848 121.0266 57.7556 41.6823 178.5703 48 Q 4.1015 7.5405 118.5290 58.8404 28.9131 176.7457 49 T 4.4428 7.6700 114.9872 63.1612 68.7702 175.3258 50 L 4.1638 7.8937 124.4094 57.6968 41.2612 176.3255 51 P 4.6803 0.0000 0.0000 61.1932 29.7428 175.7175 52 R 4.4264 7.3709 123.0525 57.3694 31.4786 175.1447 53 D 4.2906 7.9060 122.2746 57.0384 41.4438 177.8941 54 S 4.2935 7.0013 113.4527 57.2456 59.7608 172.3042 55 S 4.1533 7.3494 118.5415 56.2889 66.7393 173.6960 56 P 4.5675 0.0000 0.0000 63.7466 31.4588 176.7069 57 S 4.5833 7.7660 113.8861 59.1074 63.9504 174.5010 58 R 4.3899 7.5428 118.4477 55.9478 29.7208 175.6674 59 Q 4.8430 8.1052 116.9677 53.4450 30.5211 175.9861 60 R 4.4081 8.4887 120.1327 55.8716 29.6480 176.8565 61 N 3.6842 7.8085 113.0684 50.7644 38.5816 172.9503 62 R 4.3005 7.6338 121.0297 56.5806 30.4172 176.0261 63 C 4.2070 8.0911 120.9848 60.1135 31.8267 174.9425 64 R 3.9811 9.1082 127.6751 58.7251 29.8491 176.9882 65 Q 4.2018 7.9509 117.9799 58.0275 29.6217 175.7785 66 T 4.2584 8.9407 110.9244 63.3932 68.0415 175.3445 67 G 4.0819 8.1941 118.7565 45.9655 0.0000 171.2792 68 R 3.9848 7.8911 121.6682 55.9598 29.6730 174.9397 69 P 4.2970 0.0000 0.0000 65.0220 31.6837 176.1139 70 H 4.6517 8.0129 117.0240 56.9585 29.1256 175.3484 71 G 4.1503 9.0533 115.3760 45.7546 0.0000 172.7847 72 F 4.9199 8.0305 119.5023 56.9587 40.5527 175.5074 73 L 3.9357 6.5186 124.6464 53.7660 43.1401 176.1863 74 R 3.6310 7.8383 125.1287 59.0931 30.5002 177.3999 75 K 3.6076 7.6360 117.8896 58.9785 32.2025 177.1843 76 F 4.6180 7.2082 114.6086 56.2939 40.1793 177.1682 77 G 3.8942 8.2862 108.8432 45.9439 0.0000 173.7476 78 L 4.6433 7.4717 119.9147 53.4236 43.6599 175.2387 79 S 5.5574 8.1792 113.7318 57.7793 66.9035 176.6793 80 R 3.4274 9.2758 122.7436 56.1501 30.6867 178.2429 81 I 3.5935 8.9955 125.4915 65.1132 37.4017 177.1345 82 K 3.8876 8.4554 120.2619 59.3383 31.8861 179.4071 83 V 3.3354 7.6928 117.9388 65.7602 31.3890 177.5149 84 R 3.7892 8.0625 118.6791 59.8315 29.8367 178.0166 85 E 3.8726 8.7916 118.1130 59.3420 29.5321 178.9667 86 A 4.2887 8.5383 121.7226 54.6395 18.2578 179.6842 87 A 3.7570 8.0923 118.9511 55.7317 18.3457 179.7729 88 M 3.9992 7.7600 115.6864 58.4282 32.0740 178.4081 89 R 4.3114 8.1810 115.7200 55.5429 30.3534 177.4206 90 G 3.9336 8.3279 107.1903 45.9069 0.0000 175.6802 91 E 4.0188 7.9615 120.0676 58.4504 29.7123 176.6894 92 I 4.3862 6.9846 118.7677 58.3910 38.3715 173.8885 93 P 4.1769 0.0000 0.0000 64.5238 31.6727 177.2075 94 G 3.7448 8.6375 103.5282 45.9353 0.0000 171.4056 95 L 4.1057 7.3811 121.9878 54.8129 43.2665 173.4817 96 K 4.6988 8.1845 124.6127 53.9325 35.7835 175.7823 97 K 3.8455 8.5281 117.4609 56.9415 32.3321 176.2228 98 A 4.8260 8.5334 124.1761 50.3434 20.7212 176.3497 99 S 4.9637 8.6462 117.3409 56.7246 66.1194 174.1037 100 W 4.5266 8.4988 120.2052 57.1326 27.2742 174.0417 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 A 8.26 4.19 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 2 K 7.79 3.77 0.00 2.04 1.82 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.43 7.81 3 Q 8.44 4.18 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.05 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 4 S 7.91 4.26 0.00 4.08 4.10 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 5 M 7.98 4.01 0.00 2.03 2.40 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 6 K 7.46 4.13 0.00 1.94 1.82 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.46 7.81 7 A 7.78 4.51 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 8 R 7.42 3.82 0.00 1.88 2.00 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 9 E 8.26 3.82 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 2.42 0.00 10 V 7.90 3.60 2.25 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 1.01 0.00 0.00 0.96 0.00 0.00 11 K 7.84 4.02 0.00 1.91 1.83 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.62 7.81 12 R 8.18 3.96 0.00 1.95 2.19 0.00 3.12 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 13 V 7.60 3.73 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 1.06 0.00 0.00 0.97 0.00 0.00 14 A 7.81 3.93 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 15 L 8.22 4.04 0.00 2.06 2.04 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.72 4.34 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 17 D 8.10 4.69 0.00 2.82 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 18 K 8.13 3.99 0.00 1.58 1.63 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.36 7.81 19 Y 7.64 4.58 0.00 3.34 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.08 4.12 0.00 2.97 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 21 A 7.73 4.09 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 22 K 7.79 5.25 0.00 1.67 1.77 0.00 1.59 0.00 0.00 2.28 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.42 7.81 23 R 9.20 4.15 0.00 1.92 2.07 0.00 3.30 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 24 A 7.75 3.57 0.54 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 25 E 8.20 3.82 0.00 2.08 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 2.39 2.35 0.00 26 L 7.90 3.90 0.00 1.77 1.68 0.91 0.17 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 27 K 7.91 4.03 0.00 2.01 2.00 0.00 1.33 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.38 1.45 7.81 28 A 7.94 4.11 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 I 7.22 3.79 1.88 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 1.48 0.82 0.85 0.00 0.00 30 I 7.54 3.78 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.24 0.96 0.00 0.00 31 S 8.23 4.64 0.00 3.91 3.89 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 32 D 8.25 4.56 0.00 2.51 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 33 V 8.32 3.75 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 0.85 0.00 0.00 0.94 0.00 0.00 34 N 8.21 5.05 0.00 2.61 2.68 0.00 0.00 7.14 7.35 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 35 A 8.02 4.19 1.25 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 0.00 0.00 *40 R 7.83 4.36 0.00 1.95 2.09 0.00 3.44 0.00 0.00 3.52 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 41 W 8.72 4.42 0.00 3.28 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 42 N 8.85 4.25 0.00 2.60 2.83 0.00 0.00 6.98 7.54 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 43 A 8.06 3.98 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 44 V 7.95 3.44 2.36 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 1.04 0.00 0.00 1.06 0.00 0.00 45 L 7.91 4.00 0.00 1.72 2.01 0.94 0.63 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 46 K 8.61 4.15 0.00 1.94 1.84 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.66 7.81 47 L 8.68 4.00 0.00 1.99 1.68 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.54 4.10 0.00 2.18 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 49 T 7.67 4.44 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 50 L 7.89 4.16 0.00 1.72 1.99 0.77 0.79 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 51 P 0.00 4.68 0.00 1.96 1.24 0.00 3.97 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 1.79 1.98 0.00 52 R 7.37 4.43 0.00 1.87 1.73 0.00 3.19 0.00 0.00 3.27 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 53 D 7.91 4.29 0.00 2.63 2.67 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 54 S 7.00 4.29 0.00 3.89 3.49 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 55 S 7.35 4.15 0.00 3.72 3.52 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 56 P 0.00 4.57 0.00 2.21 2.21 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 57 S 7.77 4.58 0.00 3.85 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 58 R 7.54 4.39 0.00 1.74 1.87 0.00 3.03 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 59 Q 8.11 4.84 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.54 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 60 R 8.49 4.41 0.00 1.80 1.91 0.00 3.30 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 61 N 7.81 3.68 0.00 2.25 1.50 0.00 0.00 6.94 7.54 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 62 R 7.63 4.30 0.00 1.94 2.11 0.00 3.25 0.00 0.00 2.89 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 63 C 8.09 4.21 0.00 3.17 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 64 R 9.11 3.98 0.00 2.04 2.04 0.00 3.37 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 65 Q 7.95 4.20 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 66 T 8.94 4.26 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 1.26 0.00 0.00 67 G 8.19 4.08 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 0.00 0.00 0.00 68 R 7.89 3.98 0.00 1.88 1.94 0.00 3.23 0.00 0.00 3.69 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.69 0.00 69 P 0.00 4.30 0.00 2.11 2.10 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 70 H 8.01 4.65 0.00 3.21 3.29 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.05 4.15 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 0.00 72 F 8.03 4.92 0.00 3.01 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 73 L 6.52 3.94 0.00 1.58 1.37 1.09 0.88 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 74 R 7.84 3.63 0.00 1.83 1.89 0.00 3.38 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 75 K 7.64 3.61 0.00 1.17 0.74 0.00 1.40 0.00 0.00 1.34 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.35 0.21 7.81 76 F 7.21 4.62 0.00 3.12 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 77 G 8.29 3.89 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 78 L 7.47 4.64 0.00 1.79 1.66 0.92 0.87 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 79 S 8.18 5.56 0.00 3.89 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 80 R 9.28 3.43 0.00 1.97 1.56 0.00 3.19 0.00 0.00 3.41 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 81 I 9.00 3.59 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 1.65 0.70 0.91 0.00 0.00 82 K 8.46 3.89 0.00 2.00 1.90 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.62 7.81 83 V 7.69 3.34 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 0.26 0.00 0.00 0.92 0.00 0.00 84 R 8.06 3.79 0.00 1.86 2.07 0.00 3.14 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 85 E 8.79 3.87 0.00 2.10 1.93 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 2.31 2.31 0.00 86 A 8.54 4.29 1.29 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 0.00 0.00 87 A 8.09 3.76 1.30 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 0.00 0.00 0.00 88 M 7.76 4.00 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.85 0.00 89 R 8.18 4.31 0.00 1.73 1.94 0.00 3.29 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 90 G 8.33 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 0.00 0.00 0.00 91 E 7.96 4.02 0.00 2.17 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 2.32 2.28 0.00 92 I 6.98 4.39 1.79 0.00 0.00 0.48 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 0.57 0.94 0.00 0.00 93 P 0.00 4.18 0.00 2.19 2.07 0.00 3.91 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 2.04 2.00 0.00 94 G 8.64 3.74 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 0.00 0.00 0.00 95 L 7.38 4.11 0.00 1.71 1.54 0.94 0.58 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 96 K 8.18 4.70 0.00 1.85 1.76 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.42 7.81 97 K 8.53 3.85 0.00 1.79 1.86 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.43 7.81 98 A 8.53 4.83 1.29 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 0.00 0.00 99 S 8.65 4.96 0.00 3.99 3.89 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 0.00 100 W 8.50 4.53 0.00 3.38 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 * Residues marked with a * may have inaccurate shift predictions.