NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 A 4.3013 8.2644 123.5836 51.9619 20.7610 177.3240 13 E 3.8787 8.0097 116.3363 55.0182 30.2528 170.4298 14 V 3.8535 8.2838 125.9908 61.9407 33.5643 174.9147 15 N 4.5377 8.6121 125.6418 53.2843 39.4843 175.3969 16 L 4.1222 8.4523 129.2059 57.4735 41.5968 179.0119 17 D 4.3659 8.1380 118.6872 57.4991 40.8421 178.4755 18 E 3.9897 8.5907 119.0415 59.3045 29.3520 179.2181 19 L 4.0008 7.9170 120.1263 57.9838 42.2190 178.8605 20 A 4.0004 8.5588 121.3176 55.1342 18.0278 179.6965 21 Q 3.9632 7.6096 115.6859 58.9970 28.8914 178.0684 22 E 4.0853 8.0379 119.5162 59.0418 30.0436 178.2423 23 L 4.3501 8.4203 118.1133 55.6524 41.6890 178.9106 24 G 3.8655 7.5938 105.7075 47.7570 0.0000 173.7295 25 P 4.3923 0.0000 0.0000 63.4978 32.6458 176.9353 26 I 4.1726 7.4519 112.0777 59.0054 36.7602 175.1106 *28 G 3.7581 7.4240 112.0342 45.9009 0.0000 172.0135 29 D 4.4171 8.6472 120.0091 56.4373 41.0530 177.2346 30 N 4.8244 8.1004 114.3910 52.7555 38.9164 173.5241 31 E 4.9299 7.8359 119.9074 54.8466 31.3524 175.2672 32 Q 4.7677 9.6428 124.3133 53.7728 33.3671 174.6574 33 L 4.4074 8.6763 121.7739 55.3993 41.9924 175.9717 34 A 4.7088 9.1840 125.1965 53.2601 20.4618 176.8500 35 L 4.7524 7.7393 112.9194 53.7270 46.4699 174.3627 36 A 5.3547 8.0711 121.3980 50.9284 22.4833 175.1564 37 Y 4.7604 8.9144 117.1290 56.2595 41.5868 175.7260 38 R 4.3962 8.8014 122.9429 55.6730 31.2674 176.6939 39 V 4.2582 8.5512 122.0715 61.4207 33.7532 178.2765 40 I 3.2419 8.5216 130.8339 62.4921 36.0008 175.7012 41 R 4.4304 9.1898 127.9025 57.1402 31.7786 176.0891 42 D 5.0904 7.8763 119.9927 52.4130 42.6384 174.7268 *44 F 4.6197 8.3774 119.7801 58.4643 40.8827 174.2754 45 V 4.6062 8.6837 124.9061 61.1220 33.8181 174.1980 46 F 4.9794 9.5097 128.1885 56.3803 40.6000 175.9024 47 T 4.8325 8.6209 115.9172 59.8316 70.8371 174.5107 48 N 4.8438 8.8474 118.1005 54.6947 37.2208 175.8406 49 K 4.6184 8.3617 118.1272 56.8227 34.8763 175.6799 50 R 3.7161 7.0189 112.8458 54.3203 33.0612 173.7759 51 L 4.3518 7.6740 123.0511 54.3158 43.6437 175.2346 52 I 4.6807 8.5321 127.8269 59.6101 39.4200 174.7209 53 L 4.3231 8.4396 128.5123 53.5919 42.6232 175.9408 54 I 4.3754 8.0577 125.7546 59.7024 39.1547 174.3822 55 D 5.3016 8.6713 127.7908 52.3563 43.1645 175.7222 56 K 5.0069 9.0373 122.6179 54.8416 35.1400 176.6612 57 Q 4.2202 8.7916 121.7318 56.0256 30.7041 178.6920 58 G 3.9153 7.8552 105.8484 46.4075 0.0000 177.7765 59 V 3.6688 8.7509 118.6594 63.5925 31.4212 176.7561 60 T 4.1706 8.0774 109.2203 62.5605 69.3297 174.3248 61 G 3.9314 7.3398 111.2637 46.4982 0.0000 173.2307 62 K 4.2629 8.8512 121.4881 56.1792 32.6950 173.8415 63 K 4.2446 8.1236 121.6934 55.9832 32.6329 180.9371 64 V 4.6604 8.3038 123.2318 60.4357 34.8215 174.3719 65 S 4.7179 8.9366 121.5915 56.6674 65.5146 172.0195 66 Y 4.7578 8.9162 124.5793 56.7383 39.6300 174.6483 67 H 4.7815 9.0542 126.2719 54.5439 31.8271 173.2389 68 S 4.8544 8.6814 122.7462 57.2748 64.2765 174.2610 69 V 4.1534 8.6239 125.8164 60.0233 33.1979 172.9758 70 P 4.5932 0.0000 0.0000 61.7457 32.2191 177.6921 71 Y 4.4129 8.2940 119.8027 60.9564 38.1366 178.7779 72 K 4.0089 8.3207 117.8517 59.7782 32.7710 177.7005 73 A 4.1219 8.1907 121.3295 53.4532 18.6106 176.8281 74 I 4.5055 7.5423 116.9928 61.2847 36.6972 175.8431 75 T 4.4878 9.1563 118.0167 64.4551 69.7125 174.4012 76 H 5.1719 8.2980 115.7694 54.7681 31.9606 171.9888 77 F 5.8378 8.2529 112.2248 56.3252 40.6900 173.1081 78 E 4.8801 9.6591 120.2902 54.9134 33.5096 173.7795 79 V 4.9545 8.5991 125.6528 61.0711 34.1245 173.8909 80 E 4.8448 9.3362 129.3303 54.5432 32.0971 174.4524 81 T 5.0611 8.4386 116.4457 59.4186 71.2530 174.1027 82 A 3.9369 8.8637 126.6076 52.1216 19.0337 177.5295 83 G 4.0074 8.5761 111.0523 46.0319 0.0000 173.4609 84 T 4.7933 7.4584 108.4465 58.6877 71.9629 174.3147 85 F 4.0467 9.1460 117.7628 59.8671 39.3290 177.1906 86 D 4.0385 6.4222 118.4207 54.1608 37.9586 177.9178 *88 D 4.4989 9.1042 114.1383 53.7770 43.5031 174.7957 89 A 5.2103 8.7902 122.0416 50.1814 23.3428 174.5706 90 E 4.9522 9.2011 119.4482 54.4959 33.4096 173.7932 91 L 5.0852 8.9295 129.1681 53.5426 44.4023 174.8854 92 K 4.7943 9.2487 126.0028 54.5144 34.8053 174.8872 93 L 5.0499 8.8254 125.6200 52.7598 44.2449 175.4666 94 W 4.8217 9.3663 124.6724 55.5541 30.9634 175.4366 95 I 5.0491 8.3010 124.9171 58.9822 39.9302 175.1588 96 S 4.2993 8.9631 121.0064 60.4140 62.4693 174.7959 97 G 4.0504 9.2555 115.9739 45.0388 0.0000 172.8527 98 Q 4.7373 7.7267 118.7187 53.7785 30.7929 176.1048 99 K 4.3106 8.8064 121.7442 58.8569 33.3562 176.7387 100 D 4.9290 7.9488 119.4478 51.9966 42.2119 174.2730 101 P 4.0666 0.0000 0.0000 62.0455 32.6204 175.5331 102 L 4.1002 8.4849 124.6298 54.9170 43.1600 175.6192 103 V 4.7864 8.2354 125.5553 60.8928 34.2985 174.3723 104 K 4.5874 9.1304 128.4697 54.4098 35.3646 174.6334 105 E 4.2523 8.9969 129.0301 56.2757 30.5314 176.1763 106 L 4.6138 9.0419 127.7798 52.7966 43.0259 176.1920 107 K 4.5840 8.3460 123.1247 54.9950 33.9931 176.1702 108 K 3.8214 8.0810 122.5361 58.2578 32.3666 175.8764 109 G 4.1527 8.9988 113.7414 46.2065 0.0000 174.3810 110 T 4.0007 7.6418 115.9884 63.5019 69.0922 175.4756 111 D 4.6168 8.3078 124.8122 53.3013 38.8069 176.9225 112 V 3.5048 7.5886 123.4483 65.3644 32.0796 177.1228 113 V 3.6320 7.7169 117.6182 65.9091 31.4924 177.8498 114 G 3.7661 8.1810 106.7400 47.3583 0.0000 175.6358 115 I 3.1600 7.2599 122.2280 63.7857 37.0068 178.6106 116 Q 3.9667 7.8078 118.5591 58.8678 28.5425 178.7511 117 K 3.9472 8.1327 120.6774 59.8080 32.2261 179.0536 118 T 3.7828 7.8231 116.0649 66.4268 68.3072 176.7694 119 I 3.7499 7.8213 121.6938 64.2464 37.2149 178.2175 120 A 4.0798 8.0018 121.3671 55.4833 18.0765 179.4205 121 N 4.1176 8.1870 113.8041 56.1829 38.6164 177.0265 122 F 4.1880 7.9040 117.6523 58.3704 39.4000 177.3003 123 S 4.7140 7.9605 111.9099 58.5629 64.1531 174.1108 124 L 4.3144 7.6986 126.3676 54.8867 41.5428 176.2148 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 12 A 8.26 4.30 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 13 E 8.01 3.88 0.00 2.02 1.85 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 2.26 2.33 0.00 14 V 8.28 3.85 2.04 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 0.83 0.00 0.00 0.93 0.00 0.00 15 N 8.61 4.54 0.00 2.80 2.70 0.00 0.00 7.24 6.66 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 16 L 8.45 4.12 0.00 1.73 1.70 0.92 1.09 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 17 D 8.14 4.37 0.00 2.86 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 18 E 8.59 3.99 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 2.33 2.45 0.00 19 L 7.92 4.00 0.00 1.93 1.82 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.56 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.61 3.96 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 22 E 8.04 4.09 0.00 2.00 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 2.34 2.37 0.00 23 L 8.42 4.35 0.00 1.77 1.69 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.59 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 25 P 0.00 4.39 0.00 1.96 2.09 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 26 I 7.45 4.17 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.75 0.00 0.00 *28 G 7.42 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.42 0.00 2.68 2.75 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 0.00 0.00 0.00 30 N 8.10 4.82 0.00 2.71 2.83 0.00 0.00 6.76 7.66 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 31 E 7.84 4.93 0.00 1.99 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 2.24 2.39 0.00 32 Q 9.64 4.77 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 33 L 8.68 4.41 0.00 1.56 1.63 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.18 4.71 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 35 L 7.74 4.75 0.00 1.69 1.39 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.07 5.35 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 37 Y 8.91 4.76 0.00 2.78 2.79 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 38 R 8.80 4.40 0.00 1.84 1.89 0.00 3.30 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 39 V 8.55 4.26 2.19 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 1.09 0.00 0.00 0.81 0.00 0.00 40 I 8.52 3.24 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 1.42 0.82 0.91 0.00 0.00 41 R 9.19 4.43 0.00 1.78 1.95 0.00 3.18 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 42 D 7.88 5.09 0.00 2.83 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 *44 F 8.38 4.62 0.00 3.10 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 45 V 8.68 4.61 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 0.91 0.00 0.00 0.94 0.00 0.00 46 F 9.51 4.98 0.00 3.17 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 47 T 8.62 4.83 4.37 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 1.20 0.00 0.00 48 N 8.85 4.84 0.00 3.05 3.15 0.00 0.00 6.80 7.29 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 49 K 8.36 4.62 0.00 1.72 1.81 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.49 7.81 50 R 7.02 3.72 0.00 1.51 1.68 0.00 2.83 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.00 51 L 7.67 4.35 0.00 1.53 1.26 0.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.53 4.68 1.80 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 1.13 0.34 0.94 0.00 0.00 53 L 8.44 4.32 0.00 1.33 1.25 0.53 -0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.06 4.38 1.65 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 0.97 0.79 0.08 0.00 0.00 55 D 8.67 5.30 0.00 2.54 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 56 K 9.04 5.01 0.00 1.54 1.63 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.42 7.81 57 Q 8.79 4.22 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.73 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 58 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 59 V 8.75 3.67 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 0.76 0.00 0.00 0.93 0.00 0.00 60 T 8.08 4.17 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 61 G 7.34 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 62 K 8.85 4.26 0.00 1.78 1.72 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 0.99 7.81 63 K 8.12 4.24 0.00 1.47 1.73 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.38 1.27 7.81 64 V 8.30 4.66 2.16 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 0.90 0.00 0.00 0.94 0.00 0.00 65 S 8.94 4.72 0.00 3.85 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.92 4.76 0.00 2.73 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 67 H 9.05 4.78 0.00 3.09 3.01 0.00 5.59 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.68 4.85 0.00 3.75 3.70 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 69 V 8.62 4.15 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 0.91 0.00 0.00 0.64 0.00 0.00 70 P 0.00 4.59 0.00 2.18 1.88 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 71 Y 8.29 4.41 0.00 3.13 3.10 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 72 K 8.32 4.01 0.00 1.93 2.04 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 73 A 8.19 4.12 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 74 I 7.54 4.51 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 1.10 0.00 0.00 75 T 9.16 4.49 4.38 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 1.31 0.00 0.00 76 H 8.30 5.17 0.00 3.10 3.32 0.00 5.50 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.25 5.84 0.00 3.25 3.15 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 78 E 9.66 4.88 0.00 2.39 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 2.33 2.37 0.00 79 V 8.60 4.95 2.15 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 0.86 0.00 0.00 1.03 0.00 0.00 80 E 9.34 4.84 0.00 2.25 1.77 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 2.20 2.23 0.00 81 T 8.44 5.06 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 1.21 0.00 0.00 82 A 8.86 3.94 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 83 G 8.58 4.01 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 0.00 0.00 0.00 84 T 7.46 4.79 4.19 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 1.24 0.00 0.00 85 F 9.15 4.05 0.00 3.17 3.28 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 86 D 6.42 4.04 0.00 2.60 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 0.00 0.00 0.00 *88 D 9.10 4.50 0.00 2.68 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 89 A 8.79 5.21 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 90 E 9.20 4.95 0.00 1.96 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 2.17 2.21 0.00 91 L 8.93 5.09 0.00 1.84 1.58 1.12 1.01 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 92 K 9.25 4.79 0.00 1.36 0.74 0.00 1.76 0.00 0.00 1.37 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 1.31 7.81 93 L 8.83 5.05 0.00 1.42 1.56 0.83 0.77 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 94 W 9.37 4.82 0.00 3.29 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 95 I 8.30 5.05 1.90 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 1.24 1.06 1.00 0.00 0.00 96 S 8.96 4.30 0.00 3.84 3.85 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 97 G 9.26 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 0.00 0.00 0.00 98 Q 7.73 4.74 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 99 K 8.81 4.31 0.00 1.96 2.02 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.56 7.81 100 D 7.95 4.93 0.00 2.69 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 0.00 101 P 0.00 4.07 0.00 1.19 0.49 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.44 0.00 102 L 8.48 4.10 0.00 1.67 1.53 0.86 0.67 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 0.00 103 V 8.24 4.79 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 0.81 0.00 0.00 0.76 0.00 0.00 104 K 9.13 4.59 0.00 1.87 1.73 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.56 7.81 105 E 9.00 4.25 0.00 2.01 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 2.27 2.32 0.00 106 L 9.04 4.61 0.00 1.50 1.48 0.81 0.85 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 0.00 107 K 8.35 4.58 0.00 1.69 1.69 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.63 1.41 7.81 108 K 8.08 3.82 0.00 1.84 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.42 7.81 109 G 9.00 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 0.00 110 T 7.64 4.00 4.16 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 0.00 0.00 0.00 1.05 0.00 0.00 111 D 8.31 4.62 0.00 2.88 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 0.00 112 V 7.59 3.50 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 0.99 0.00 0.00 0.92 0.00 0.00 113 V 7.72 3.63 2.06 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 0.98 0.00 0.00 0.92 0.00 0.00 114 G 8.18 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 0.00 115 I 7.26 3.16 1.50 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 -0.36 0.72 0.00 0.00 116 Q 7.81 3.97 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 117 K 8.13 3.95 0.00 1.79 1.76 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 118 T 7.82 3.78 3.83 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 0.39 0.00 0.00 119 I 7.82 3.75 1.76 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 1.63 1.27 -0.00 0.00 0.00 120 A 8.00 4.08 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 0.00 121 N 8.19 4.12 0.00 2.37 2.41 0.00 0.00 7.11 7.06 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 0.00 122 F 7.90 4.19 0.00 2.63 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 0.00 123 S 7.96 4.71 0.00 4.16 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 0.00 124 L 7.70 4.31 0.00 1.84 1.66 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.