NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2797 8.2644 123.5817 51.3711 19.9502 176.0436 3 L 3.8856 8.2539 121.9032 53.5019 42.5680 174.9458 4 T 4.7667 8.8565 116.1904 59.0599 74.4191 174.4724 5 K 4.0212 8.5557 119.3791 59.3374 31.9821 179.3546 6 A 3.9803 7.9710 120.6532 55.3177 18.4060 179.3863 7 E 3.9552 7.8230 115.8570 59.8647 29.6082 179.5042 8 M 4.0135 8.3049 118.9372 58.6084 31.6048 179.0104 9 S 4.6032 8.7470 116.8896 60.8694 62.8456 176.4373 10 E 4.0633 8.1551 121.9345 59.7286 29.6245 178.2685 11 Y 4.0593 8.3761 116.7382 61.4228 38.0764 179.0525 12 L 4.1034 8.1508 119.5133 57.4251 41.6602 179.4349 13 F 4.2986 8.1069 120.4475 62.0744 39.2838 176.3206 14 D 4.3416 8.7437 119.6747 55.9271 40.3053 178.4210 15 K 3.7636 7.9218 121.1730 59.4789 32.4949 178.2550 16 L 4.3463 7.4578 113.3545 53.5356 42.6935 176.6453 17 G 4.1983 7.3018 106.6893 45.9397 0.0000 172.4588 18 L 4.8470 7.1469 118.4611 52.3066 45.7491 177.6717 19 S 4.4669 8.4141 115.5644 58.5985 64.4834 175.6062 20 K 4.2436 8.7403 122.8022 58.4766 31.6924 179.5313 21 R 3.8146 7.8176 119.5281 59.5035 30.2430 177.8320 22 D 4.3494 8.4085 118.7485 57.2665 40.7492 178.5426 23 A 4.0554 8.7196 121.1690 53.9515 18.1508 179.2252 24 K 4.0896 7.3123 119.4190 58.0610 32.7939 178.1897 25 E 3.9502 8.3878 119.8365 59.2567 29.5697 178.3636 26 L 3.9490 8.1145 119.3484 58.0275 41.7871 179.6167 27 V 3.5457 7.8285 117.1721 66.0769 31.4702 177.1882 28 E 4.0758 7.9689 118.8995 59.5278 29.4744 178.6367 29 L 3.9756 8.4614 119.0886 57.9367 41.5088 178.9017 30 F 4.1025 8.5609 120.6870 61.9421 39.1484 177.4187 31 F 3.8213 7.8829 116.3383 60.3011 38.6496 177.4111 32 E 3.9973 8.7436 119.5171 59.2567 29.4416 178.5453 33 E 3.8978 8.7641 119.7241 58.9310 29.6329 178.9576 34 I 3.5289 7.1016 120.0322 64.0969 37.0716 178.3300 35 R 3.7934 8.1846 119.2635 59.8164 29.9463 178.6434 36 R 4.2249 8.4893 118.5566 58.8392 30.1003 178.4503 37 A 3.9767 8.1453 119.6242 55.7197 18.4298 179.8479 38 L 4.1220 7.8385 117.3075 57.8716 41.6655 179.5185 39 E 4.0954 8.6072 117.7546 58.8633 29.1620 177.7678 40 N 4.9468 7.8938 116.2078 52.6273 38.7238 175.6973 41 G 3.8899 7.7972 107.5617 45.9220 0.0000 173.4116 42 E 4.5380 7.9423 120.1908 54.6551 30.8866 175.6741 43 Q 4.2970 8.6417 126.9992 55.9349 30.5508 175.0963 44 V 4.3473 8.4526 125.7969 61.3397 33.6955 174.5793 45 K 5.5564 8.7619 128.1711 54.4387 33.8873 176.3767 46 L 4.6375 8.9299 127.5481 52.5143 42.3994 176.1883 47 S 4.2717 8.6280 118.2075 59.9584 62.7582 174.6555 48 G 4.1023 9.2189 115.0747 45.0261 0.0000 172.4132 49 F 4.6644 7.5570 119.0944 57.0197 42.4617 176.8867 50 G 3.8054 7.6188 105.5394 46.1832 0.0000 170.8941 51 N 5.5955 7.7336 116.3918 51.5702 42.0534 174.6476 52 F 5.7686 9.5893 122.6481 55.6910 39.3973 174.5150 53 D 4.9207 8.3937 123.0888 53.1061 43.1804 174.9434 54 L 5.2095 8.4128 120.7575 53.2887 43.8461 176.1455 55 R 4.6767 8.7665 121.7687 54.4660 34.0901 174.3886 56 D 5.0703 8.7516 122.8869 52.9417 42.0908 175.8210 57 K 4.4340 8.9903 124.8682 55.1999 33.8915 177.4981 58 N 4.6855 8.5481 122.5352 52.7877 40.2517 174.0251 59 Q 4.8293 8.7586 120.3462 55.7524 30.2242 175.4892 60 R 4.8797 8.2355 119.8122 53.7032 33.4117 172.1547 61 P 4.5304 0.0000 0.0000 63.5590 31.9865 175.7264 62 G 4.2848 8.5401 109.8127 46.4848 0.0000 170.4989 63 R 5.5182 8.1204 114.7193 56.7063 32.0630 173.9806 64 N 4.5813 8.3667 118.1106 51.6927 38.6731 173.2264 65 P 4.1201 0.0000 0.0000 65.7621 31.5188 178.2159 66 K 4.0351 8.0319 116.1982 59.2989 32.2770 177.8160 67 T 3.9625 8.0372 109.6562 60.7877 68.6294 175.6824 68 G 5.0300 6.1193 125.6811 45.2771 0.0000 171.2988 69 E 3.9188 7.5052 122.1334 56.4113 30.5636 175.9185 70 D 4.8696 8.7323 127.6854 54.8904 41.5956 176.2684 71 I 4.7658 8.6952 124.4245 58.5906 41.3222 172.9949 72 P 4.7944 0.0000 0.0000 62.5945 32.3267 176.1990 73 I 4.0983 9.1702 126.2736 60.6450 37.3361 175.2150 74 T 4.0619 8.6204 116.8847 61.9209 68.7375 173.8095 75 A 4.4960 8.7025 125.8020 52.8629 19.5453 176.0882 76 R 4.2977 8.4215 114.9037 56.0964 33.4989 173.1725 77 R 5.0427 8.7421 119.5463 54.9302 31.6447 175.0131 78 V 4.5266 8.4935 120.0318 59.6146 34.9215 175.0672 79 V 4.7810 8.3227 123.2374 62.0967 32.6468 175.1205 80 T 4.8639 9.1632 117.7457 59.8074 72.4259 172.3462 81 F 5.0140 8.7100 124.0368 56.5797 41.9197 174.9865 82 R 4.2552 8.0863 126.0027 52.8912 31.2040 172.8158 83 P 4.0221 0.0000 0.0000 62.3823 32.2093 176.8580 84 G 3.8596 8.4269 111.7435 44.5545 0.0000 174.8004 85 Q 3.9037 8.6569 117.9295 58.8467 28.3795 178.9871 86 K 3.7759 8.0709 118.5227 59.6813 32.4577 177.8972 87 L 4.0856 7.7844 119.5535 58.2362 42.1973 178.6512 88 K 3.8896 8.2991 118.8091 59.8541 31.0349 179.4637 89 S 4.3587 8.7164 115.5895 61.4498 62.5766 176.4817 90 R 4.0154 7.7426 118.5763 57.7584 30.1623 177.8543 91 V 4.2282 7.1388 118.1529 63.3902 32.7460 176.8378 92 E 3.9964 7.9775 116.3140 58.9509 29.1597 177.6330 93 N 4.8893 7.9097 114.1628 52.5604 39.2050 174.5045 94 A 4.0681 8.3289 121.6514 52.0814 18.9253 178.5312 95 S 4.4391 8.2732 116.2146 55.4844 62.4937 171.2736 96 P 3.9612 0.0000 0.0000 63.2168 31.0129 177.4621 *97 K 4.1299 8.5420 123.6852 54.7174 32.3210 172.4206 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 2 A 8.26 4.28 1.26 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 0.00 0.00 0.00 3 L 8.25 3.89 0.00 1.65 1.59 0.79 0.55 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 4 T 8.86 4.77 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 1.20 0.00 0.00 5 K 8.56 4.02 0.00 1.85 1.98 0.00 1.81 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.74 1.51 7.81 6 A 7.97 3.98 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 7 E 7.82 3.96 0.00 2.20 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 2.35 2.36 0.00 8 M 8.30 4.01 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 9 S 8.75 4.60 0.00 4.02 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 10 E 8.16 4.06 0.00 2.31 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 0.00 2.43 2.73 0.00 11 Y 8.38 4.06 0.00 3.18 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 12 L 8.15 4.10 0.00 1.99 1.76 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.11 4.30 0.00 3.28 3.32 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 14 D 8.74 4.34 0.00 2.59 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.92 3.76 0.00 1.88 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.34 1.22 7.81 16 L 7.46 4.35 0.00 1.84 1.65 0.90 0.91 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 17 G 7.30 4.20 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 0.00 18 L 7.15 4.85 0.00 1.68 1.59 0.93 0.99 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 19 S 8.41 4.47 0.00 4.11 4.05 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 20 K 8.74 4.24 0.00 1.73 1.75 0.00 1.35 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.66 1.11 7.81 21 R 7.82 3.81 0.00 1.89 1.93 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 22 D 8.41 4.35 0.00 2.75 2.72 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 0.00 0.00 0.00 0.00 23 A 8.72 4.06 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 24 K 7.31 4.09 0.00 1.79 2.04 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.30 7.81 25 E 8.39 3.95 0.00 2.07 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 2.33 2.37 0.00 26 L 8.11 3.95 0.00 1.81 1.70 0.91 1.11 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 27 V 7.83 3.55 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 1.27 0.00 0.00 1.01 0.00 0.00 28 E 7.97 4.08 0.00 2.14 2.18 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 2.35 2.46 0.00 29 L 8.46 3.98 0.00 1.90 1.74 0.94 0.98 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 30 F 8.56 4.10 0.00 2.90 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 31 F 7.88 3.82 0.00 3.10 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 32 E 8.74 4.00 0.00 2.30 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 0.00 2.31 2.35 0.00 33 E 8.76 3.90 0.00 2.18 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 2.28 2.34 0.00 34 I 7.10 3.53 1.69 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 1.10 0.17 0.34 0.00 0.00 35 R 8.18 3.79 0.00 1.93 1.94 0.00 3.12 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 36 R 8.49 4.22 0.00 2.00 1.93 0.00 3.16 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 37 A 8.15 3.98 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 38 L 7.84 4.12 0.00 1.92 1.73 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.61 4.10 0.00 2.16 2.20 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 2.48 2.34 0.00 40 N 7.89 4.95 0.00 2.85 2.87 0.00 0.00 7.00 7.82 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 41 G 7.80 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 42 E 7.94 4.54 0.00 2.01 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 2.28 2.26 0.00 43 Q 8.64 4.30 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 44 V 8.45 4.35 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 0.92 0.00 0.00 0.93 0.00 0.00 45 K 8.76 5.56 0.00 1.70 1.85 0.00 1.84 0.00 0.00 2.59 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.32 7.81 46 L 8.93 4.64 0.00 2.06 1.84 1.18 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.63 4.27 0.00 3.87 3.84 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 0.00 0.00 0.00 48 G 9.22 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 0.00 0.00 0.00 49 F 7.56 4.66 0.00 3.17 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 50 G 7.62 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 0.00 0.00 0.00 51 N 7.73 5.60 0.00 2.51 2.80 0.00 0.00 7.35 8.29 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 52 F 9.59 5.77 0.00 3.05 3.13 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 0.00 0.00 0.00 0.00 53 D 8.39 4.92 0.00 2.61 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 54 L 8.41 5.21 0.00 1.54 1.60 0.97 0.89 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 55 R 8.77 4.68 0.00 1.75 1.78 0.00 3.10 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 56 D 8.75 5.07 0.00 2.55 2.63 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 57 K 8.99 4.43 0.00 1.64 1.73 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.56 7.81 58 N 8.55 4.69 0.00 2.61 2.80 0.00 0.00 7.04 7.69 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 59 Q 8.76 4.83 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 60 R 8.24 4.88 0.00 1.87 1.95 0.00 3.02 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 61 P 0.00 4.53 0.00 2.09 2.11 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 62 G 8.54 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 0.00 0.00 0.00 0.00 63 R 8.12 5.52 0.00 1.76 1.88 0.00 2.63 0.00 0.00 3.81 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.37 0.00 64 N 8.37 4.58 0.00 2.79 2.77 0.00 0.00 6.84 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 65 P 0.00 4.12 0.00 2.07 2.14 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 66 K 8.03 4.04 0.00 1.99 1.84 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.38 7.81 67 T 8.04 3.96 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 68 G 6.12 5.03 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 0.00 0.00 0.00 69 E 7.51 3.92 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 2.31 2.31 0.00 70 D 8.73 4.87 0.00 2.58 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 71 I 8.70 4.77 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 1.28 0.99 0.91 0.00 0.00 72 P 0.00 4.79 0.00 2.07 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 73 I 9.17 4.10 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 1.28 1.35 0.91 0.00 0.00 74 T 8.62 4.06 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 75 A 8.70 4.50 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 76 R 8.42 4.30 0.00 1.82 2.01 0.00 2.73 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 77 R 8.74 5.04 0.00 2.00 1.86 0.00 3.21 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 78 V 8.49 4.53 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 0.64 0.00 0.00 1.00 0.00 0.00 79 V 8.32 4.78 2.17 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 1.02 0.00 0.00 0.99 0.00 0.00 80 T 9.16 4.86 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 1.24 0.00 0.00 81 F 8.71 5.01 0.00 2.77 2.87 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 82 R 8.09 4.26 0.00 1.40 1.58 0.00 3.20 0.00 0.00 3.14 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 83 P 0.00 4.02 0.00 1.89 1.89 0.00 3.40 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 84 G 8.43 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 85 Q 8.66 3.90 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 86 K 8.07 3.78 0.00 1.75 1.88 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.54 7.81 87 L 7.78 4.09 0.00 1.73 1.69 0.91 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.30 3.89 0.00 1.99 1.83 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.57 7.81 89 S 8.72 4.36 0.00 3.96 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 90 R 7.74 4.02 0.00 1.96 2.01 0.00 3.16 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 91 V 7.14 4.23 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 1.09 0.00 0.00 1.00 0.00 0.00 92 E 7.98 4.00 0.00 2.12 2.18 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 2.52 2.32 0.00 93 N 7.91 4.89 0.00 2.71 2.84 0.00 0.00 6.87 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 94 A 8.33 4.07 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 95 S 8.27 4.44 0.00 3.82 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 96 P 0.00 3.96 0.00 2.08 2.07 0.00 3.76 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 2.04 2.13 0.00 *97 K 8.54 4.13 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.