NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2582 8.1576 121.7634 56.0461 33.3457 178.0522 4 V 4.9772 8.2617 112.1786 57.2439 34.0416 173.0846 5 C 4.4212 9.3137 124.2958 59.3557 32.8870 175.4925 6 E 4.0521 8.8136 127.6146 59.4746 29.1216 178.4461 7 I 4.0377 7.5245 118.9384 63.8070 37.7414 177.2946 8 S 4.1610 7.7696 114.8488 59.0386 63.4781 174.5517 9 G 3.7970 7.9296 108.5357 46.1987 0.0000 173.3160 10 K 4.4034 8.0052 119.5037 55.6478 33.1817 176.5283 11 R 5.3400 8.7070 120.8371 52.1153 32.5659 173.5257 12 P 4.7633 0.0000 0.0000 63.9501 31.6631 175.2577 13 I 4.5350 8.8772 115.9258 59.2070 41.2534 174.1948 14 V 4.6673 8.2648 122.0122 61.2952 32.8903 174.3489 15 A 4.7997 8.4258 128.8265 50.4701 23.1945 174.7360 16 N 5.2133 8.3469 116.1133 52.5234 41.9120 174.5244 17 S 4.6377 8.4176 112.0316 57.2508 63.8037 171.6704 18 I 4.5086 8.0784 124.4016 59.9603 38.0456 174.9527 19 Q 4.4515 9.0708 128.1671 54.9034 29.8264 175.4953 20 R 5.3013 8.5938 122.4792 54.5405 33.7166 175.3217 21 R 4.5990 9.0267 119.2309 55.4799 35.0317 174.8921 22 G 4.0098 9.1042 109.5940 45.6140 0.0000 173.3894 23 K 3.6221 8.5870 124.0556 56.6256 32.4836 176.3083 24 A 4.1708 7.8583 127.8976 52.6176 18.1288 176.3165 25 K 4.3488 8.3539 115.7749 57.2808 33.3697 178.1618 26 R 3.9059 8.0156 117.1100 57.8346 31.1459 176.6156 27 E 4.7816 7.0391 117.0495 56.4932 31.0658 175.8727 28 G 3.4341 8.7759 109.1480 49.2759 0.0000 174.8301 29 G 3.8422 9.1296 111.9067 47.5028 0.0000 174.3274 30 V 3.0828 9.2672 115.4296 61.9251 30.0040 174.7191 31 G 3.5577 7.3156 105.7156 46.4317 0.0000 174.0581 32 K 4.8396 8.2754 122.3540 55.1394 34.1736 175.7248 33 K 4.6492 8.5992 119.5028 55.0185 36.2138 176.1259 34 T 4.5876 8.4967 120.8956 62.9146 67.9515 174.4875 35 T 4.0107 9.0571 123.7851 64.9743 68.0651 174.3125 36 G 4.2448 7.7920 105.5962 45.7737 0.0000 172.4790 37 I 5.4149 8.3147 120.5349 59.7747 41.1783 174.8446 38 S 4.7450 8.5306 120.5083 56.3229 66.7500 173.3126 39 K 4.6726 8.8952 121.6265 56.0177 32.7026 176.2654 40 R 4.8048 8.6968 119.6888 54.9507 33.5964 173.5786 41 R 4.7731 8.2158 114.8412 54.4014 32.4592 174.7915 42 Q 4.3901 8.6444 120.1923 54.6685 30.6930 174.2260 43 Y 5.2958 8.2265 121.5166 55.6364 40.0723 174.1308 44 P 4.4194 0.0000 0.0000 62.7803 32.6469 177.0148 45 N 4.8662 8.5716 122.0069 52.6971 36.8230 173.3748 46 L 5.1511 7.7061 121.2172 54.5153 43.4409 176.6527 47 Q 4.7080 9.0902 118.7760 54.2672 34.0040 173.9120 48 K 4.8286 8.5706 119.5900 56.1468 33.5570 177.7609 49 V 4.4025 8.7799 124.4845 60.7008 32.4575 173.9452 50 R 4.5890 8.4108 124.4118 55.8195 30.8227 175.9530 51 V 4.3332 8.1270 121.9338 61.3796 34.6729 175.5870 52 R 3.6629 9.0621 119.8715 55.4503 28.2848 175.4004 53 V 3.0566 9.3869 130.5961 62.4434 31.7161 171.1581 54 A 3.6089 8.1920 133.0810 53.7576 16.7593 179.0415 55 G 3.9587 8.7664 105.8747 47.5791 0.0000 172.9897 56 Q 4.4842 7.4726 118.2341 54.5473 30.4247 176.1576 57 E 3.8025 8.8959 119.6613 57.8865 30.1431 177.2317 58 I 3.1812 6.6185 113.7787 60.2089 35.7621 172.9423 59 T 5.0522 7.9898 120.4647 60.0266 71.5961 173.1146 60 F 4.9644 8.9091 120.4098 55.8816 43.4373 174.6285 61 R 5.1238 9.6364 120.2843 54.5389 31.5673 174.0485 62 V 4.8883 8.6993 124.4207 58.9499 35.6936 174.6176 63 A 4.5958 8.4712 122.7810 51.5150 19.1647 178.3761 64 A 3.6479 9.0313 126.4313 55.5469 18.5440 179.5909 65 S 4.3726 8.0960 106.2839 60.2699 62.9688 174.4494 66 H 4.8203 9.1998 116.4435 54.9233 31.9102 174.8912 67 I 3.7653 7.9155 123.0139 64.1398 36.8148 176.2335 68 P 4.2887 0.0000 0.0000 65.8692 31.1572 178.2277 69 K 3.8675 8.1586 119.1333 58.9144 32.0328 179.0402 70 V 3.2363 7.6631 118.7782 66.1111 31.4790 177.6507 71 Y 3.7417 8.0477 116.0271 60.9187 37.7182 177.6979 72 E 4.0154 8.5208 120.2099 58.9580 29.5634 179.0023 73 L 4.0880 7.3178 118.1962 57.6237 41.7154 179.0396 74 V 3.5935 7.3014 116.5299 66.7970 31.4629 176.5174 75 E 4.0647 8.6192 120.1103 57.3903 29.0801 177.9168 76 R 3.8271 7.6112 119.9361 58.6013 29.9875 177.4760 77 A 4.4344 7.8182 120.2426 52.3767 19.0123 178.3304 78 K 4.1764 8.4419 117.8522 59.4424 32.3692 179.1624 79 G 3.9505 7.7987 106.9178 45.2584 0.0000 173.1551 80 L 4.5280 7.5323 120.2138 52.3980 45.0767 175.1647 81 K 4.1105 8.7255 127.0465 56.4385 31.7930 175.7453 82 L 4.8903 8.3143 125.9358 52.2874 45.8912 177.1226 83 E 4.8146 9.0206 118.8365 56.5166 32.9035 173.3285 84 G 3.7451 8.4840 114.6249 46.0375 0.0000 172.5356 85 L 4.0310 8.0157 125.9863 55.8099 40.6105 178.0054 86 S 4.8088 8.2419 124.1116 54.5259 63.4118 174.3280 87 P 4.1603 0.0000 0.0000 67.1139 31.1320 177.5327 88 K 3.8372 7.9360 119.0193 59.0171 32.3099 178.2746 89 E 4.0277 8.2093 118.2480 59.3995 29.1175 179.0837 90 I 3.7999 7.9296 120.2191 63.5706 37.4889 177.4264 91 K 3.8992 8.0098 120.1231 60.5845 31.8190 178.5635 92 K 4.1211 7.8063 117.0189 60.1867 32.5510 177.6454 93 E 4.1822 8.6469 118.8179 58.2913 29.2136 178.5391 94 L 4.4725 8.3428 119.8072 55.0915 41.9905 176.7927 95 L 3.5536 7.8613 119.1390 55.9216 41.4564 175.1172 *96 K 4.1330 7.9227 123.2779 55.2241 32.3453 179.9726 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 K 8.16 4.26 0.00 1.74 0.79 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.41 7.81 4 V 8.26 4.98 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 1.12 0.00 0.00 0.96 0.00 0.00 5 C 9.31 4.42 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.81 4.05 0.00 2.20 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 2.38 2.59 0.00 7 I 7.52 4.04 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 1.43 0.34 0.95 0.00 0.00 8 S 7.77 4.16 0.00 3.85 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 9 G 7.93 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 10 K 8.01 4.40 0.00 1.74 1.77 0.00 1.62 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.41 7.81 11 R 8.71 5.34 0.00 1.80 1.88 0.00 2.68 0.00 0.00 3.95 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 12 P 0.00 4.76 0.00 2.36 2.74 0.00 3.77 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 13 I 8.88 4.54 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 1.10 0.71 0.98 0.00 0.00 14 V 8.26 4.67 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 0.80 0.00 0.00 0.91 0.00 0.00 15 A 8.43 4.80 1.15 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 16 N 8.35 5.21 0.00 2.64 2.77 0.00 0.00 6.17 7.57 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 17 S 8.42 4.64 0.00 3.82 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 18 I 8.08 4.51 1.86 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 1.34 0.67 0.90 0.00 0.00 19 Q 9.07 4.45 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 20 R 8.59 5.30 0.00 1.64 1.79 0.00 3.15 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 21 R 9.03 4.60 0.00 1.68 1.74 0.00 3.10 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 22 G 9.10 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 23 K 8.59 3.62 0.00 1.72 1.76 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.54 7.81 24 A 7.86 4.17 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 25 K 8.35 4.35 0.00 1.78 1.78 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.39 7.81 26 R 8.02 3.91 0.00 1.81 1.93 0.00 3.23 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 27 E 7.04 4.78 0.00 1.87 1.57 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 2.23 2.21 0.00 28 G 8.78 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.13 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 0.00 0.00 0.00 30 V 9.27 3.08 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 0.68 0.00 0.00 0.93 0.00 0.00 31 G 7.32 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 0.00 0.00 0.00 32 K 8.28 4.84 0.00 1.75 1.73 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.47 7.81 33 K 8.60 4.65 0.00 1.61 1.64 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.52 7.81 34 T 8.50 4.59 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 1.26 0.00 0.00 35 T 9.06 4.01 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 36 G 7.79 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 0.00 0.00 0.00 0.00 37 I 8.31 5.41 1.86 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 1.02 1.52 0.90 0.00 0.00 38 S 8.53 4.74 0.00 3.81 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 0.00 39 K 8.90 4.67 0.00 1.63 1.77 0.00 1.65 0.00 0.00 2.41 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 40 R 8.70 4.80 0.00 1.82 1.94 0.00 2.88 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 41 R 8.22 4.77 0.00 1.34 1.90 0.00 3.12 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.39 0.00 42 Q 8.64 4.39 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 43 Y 8.23 5.30 0.00 2.89 2.74 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 44 P 0.00 4.42 0.00 2.08 2.02 0.00 3.78 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 2.19 2.13 0.00 45 N 8.57 4.87 0.00 2.84 2.75 0.00 0.00 6.83 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 46 L 7.71 5.15 0.00 1.84 1.74 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 9.09 4.71 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 48 K 8.57 4.83 0.00 1.64 1.77 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.65 7.81 49 V 8.78 4.40 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 1.00 0.00 0.00 1.01 0.00 0.00 50 R 8.41 4.59 0.00 1.77 1.87 0.00 3.24 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 51 V 8.13 4.33 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 0.87 0.00 0.00 0.59 0.00 0.00 52 R 9.06 3.66 0.00 1.95 1.85 0.00 3.19 0.00 0.00 3.17 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 53 V 9.39 3.06 2.10 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 0.95 0.00 0.00 0.93 0.00 0.00 54 A 8.19 3.61 1.16 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 0.00 0.00 0.00 55 G 8.77 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 56 Q 7.47 4.48 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 57 E 8.90 3.80 0.00 1.99 1.92 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 2.35 2.29 0.00 58 I 6.62 3.18 1.80 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 1.22 0.53 0.95 0.00 0.00 59 T 7.99 5.05 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 1.20 0.00 0.00 60 F 8.91 4.96 0.00 2.93 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 61 R 9.64 5.12 0.00 1.79 1.78 0.00 3.21 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 62 V 8.70 4.89 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 0.86 0.00 0.00 0.96 0.00 0.00 63 A 8.47 4.60 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 64 A 9.03 3.65 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 65 S 8.10 4.37 0.00 4.02 4.03 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 66 H 9.20 4.82 0.00 3.32 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.92 3.77 1.90 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 1.62 0.78 1.02 0.00 0.00 68 P 0.00 4.29 0.00 2.24 2.27 0.00 3.58 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 2.05 1.99 0.00 69 K 8.16 3.87 0.00 1.94 1.93 0.00 1.52 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.50 7.81 70 V 7.66 3.24 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 0.13 0.00 0.00 0.79 0.00 0.00 71 Y 8.05 3.74 0.00 3.19 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 72 E 8.52 4.02 0.00 2.02 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 2.32 2.51 0.00 73 L 7.32 4.09 0.00 1.95 1.64 0.92 0.71 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 74 V 7.30 3.59 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 0.75 0.00 0.00 0.72 0.00 0.00 75 E 8.62 4.06 0.00 2.28 1.91 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 2.32 2.37 0.00 76 R 7.61 3.83 0.00 2.01 2.08 0.00 3.08 0.00 0.00 3.48 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.61 0.00 77 A 7.82 4.43 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 78 K 8.44 4.18 0.00 1.81 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.68 7.81 79 G 7.80 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 0.00 0.00 0.00 80 L 7.53 4.53 0.00 1.55 1.68 0.93 0.67 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 81 K 8.73 4.11 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.63 1.46 7.81 82 L 8.31 4.89 0.00 1.61 1.50 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 83 E 9.02 4.81 0.00 2.06 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 2.03 2.13 0.00 84 G 8.48 3.75 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 0.00 0.00 0.00 85 L 8.02 4.03 0.00 1.65 1.63 0.91 0.91 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 86 S 8.24 4.81 0.00 3.93 4.12 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 0.00 0.00 0.00 0.00 87 P 0.00 4.16 0.00 2.23 2.35 0.00 3.68 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 2.05 2.02 0.00 88 K 7.94 3.84 0.00 1.76 1.79 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.44 7.81 89 E 8.21 4.03 0.00 2.15 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 0.00 2.39 2.40 0.00 90 I 7.93 3.80 2.11 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 1.59 0.73 0.92 0.00 0.00 91 K 8.01 3.90 0.00 1.39 1.77 0.00 1.41 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.31 1.14 7.81 92 K 7.81 4.12 0.00 1.76 1.92 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.57 7.81 93 E 8.65 4.18 0.00 2.30 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 0.00 2.38 2.46 0.00 94 L 8.34 4.47 0.00 1.83 1.79 1.02 1.11 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 95 L 7.86 3.55 0.00 1.82 1.81 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.92 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.01 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.