NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.6686 8.4444 117.3701 54.0696 30.0297 173.3224 4 M 4.0367 8.2222 121.8659 53.7930 34.0075 175.5843 5 K 3.7647 9.2096 125.0934 60.0380 32.7655 177.8978 6 H 4.1275 8.0336 115.7680 59.5142 28.6734 177.5149 7 T 3.8656 7.8461 116.5430 66.8072 68.3094 176.3987 8 E 4.0077 8.0335 120.1922 59.3901 28.9805 178.7292 9 L 3.8532 8.6767 120.2591 57.8890 41.5472 179.3758 10 R 3.8984 8.3038 117.1106 59.7476 30.1644 178.8913 11 A 3.9038 7.7998 119.3120 55.3067 18.2876 179.1366 12 A 3.8982 7.9660 118.9387 55.7426 18.4589 180.1705 13 V 3.5595 7.4980 115.5835 65.7667 31.3003 178.2405 14 L 4.0110 7.8852 118.3773 58.6692 41.2239 178.3845 15 D 4.1335 8.7581 118.0199 57.2455 40.4083 179.6543 16 A 4.0395 7.8230 123.4660 55.0537 19.1467 179.4586 17 L 4.5301 7.5710 112.6583 54.7509 41.5058 176.9615 18 E 4.3247 8.8257 119.7748 55.5210 30.5019 175.0631 19 K 4.5540 8.3089 129.0995 56.3475 34.4180 174.3784 *23 G 3.8606 8.3037 105.5620 45.0011 0.0000 172.2390 24 A 4.6639 8.6808 128.8926 51.4160 22.5341 174.4111 25 T 4.7754 8.3389 109.6832 62.4139 72.1267 173.5653 26 F 5.8966 9.1050 124.2299 55.1928 41.8979 175.1235 27 F 4.6511 8.7214 119.3132 55.9204 42.8736 173.7346 28 D 4.6614 9.0995 124.1065 55.1361 40.4061 174.4519 29 G 3.9093 8.4288 110.9520 43.2519 0.0000 171.0846 30 R 3.8349 7.6759 119.8682 53.5978 30.2302 174.2367 31 P 4.0382 0.0000 0.0000 62.2972 32.0964 175.5628 32 A 4.3071 8.0835 122.4411 53.9704 20.6214 177.9115 33 V 4.3845 7.0846 110.6457 58.8802 34.2978 176.5159 34 F 4.8757 8.3683 120.3050 55.6811 42.0812 175.2727 35 D 4.4432 8.4187 120.5203 53.5215 40.9916 174.6155 *37 A 4.2914 7.5618 126.6004 52.0635 20.9824 177.5884 38 D 4.5488 7.9736 118.4302 56.2988 41.8592 177.6777 39 F 4.2089 8.0643 116.6873 56.9215 40.0762 173.5430 40 P 4.6349 0.0000 0.0000 62.4852 32.0334 175.2870 41 A 4.6423 8.1102 126.7310 50.7555 20.9298 176.1172 42 V 4.5989 8.5879 120.5631 60.9603 34.7743 174.0961 43 A 5.4013 9.3695 129.7493 50.1618 22.1583 174.9358 44 V 5.2508 8.5283 120.9590 60.5148 34.6709 174.1929 45 Y 5.0357 7.6813 123.7854 56.8741 40.7751 172.1990 46 L 5.4563 8.7820 118.7202 53.2878 45.3056 176.2405 47 T 4.6876 8.4657 110.2920 60.0597 72.9557 173.4415 48 G 4.0590 8.7098 107.7290 46.5906 0.0000 173.2902 49 A 4.9364 8.1979 120.5917 51.2738 19.5066 178.0249 50 E 4.9646 9.7665 120.8752 54.5261 33.5972 174.6183 51 Y 2.8620 7.9827 123.0247 57.2635 39.8771 175.6272 52 T 4.0935 7.2849 114.8519 60.8743 70.3009 172.3342 53 G 3.5092 5.3800 110.1996 44.1698 0.0000 173.0817 54 E 5.8136 8.3119 113.8453 53.6235 32.5292 170.6237 55 E 4.3650 8.6465 121.7466 58.3815 31.8813 178.4136 *58 S 4.4066 7.8130 112.2910 57.3567 64.7212 174.4553 59 D 5.4194 7.8840 119.2143 53.9608 44.3304 174.4976 60 T 5.0931 8.4249 114.3110 59.9566 71.6264 173.7473 61 W 5.1852 9.1059 122.3212 55.0600 34.1728 173.8475 62 Q 5.3850 9.0645 121.0602 54.0086 32.3018 173.4828 63 A 5.2103 8.4484 124.6103 51.8080 23.2284 174.7168 64 E 4.6820 9.0823 120.2312 55.5717 31.0533 175.5759 65 L 4.5873 9.8922 128.2173 54.5135 43.9134 174.7893 66 H 5.0047 8.9273 123.7729 54.2042 31.4335 173.9670 67 I 4.5696 8.7414 123.1317 59.5508 40.0126 172.7191 68 E 4.9057 9.2533 128.5561 54.1980 31.6138 174.6122 69 V 4.3153 8.1397 127.7498 60.4304 33.5026 174.8086 70 F 4.8265 9.7077 125.1988 55.4417 41.1951 174.7016 71 L 5.0487 8.3428 122.7775 51.8429 44.9506 174.0228 72 P 3.5082 0.0000 0.0000 63.9904 31.7300 176.9952 73 A 3.3181 8.7672 130.1273 52.8004 18.4057 176.3494 74 Q 4.0816 8.3235 114.7617 55.6390 28.3702 172.2715 75 V 4.5801 7.9403 121.4329 59.2020 35.0773 172.5287 76 P 4.3536 0.0000 0.0000 62.6957 31.8736 176.8168 77 D 4.5638 9.1135 125.2915 58.5503 40.6692 180.1232 78 S 4.2224 8.1169 118.3281 63.2921 62.2688 177.9817 79 E 4.1625 8.6633 123.2849 59.2145 29.4175 178.5455 80 L 4.0261 8.1223 118.3550 58.2868 41.7272 178.9272 81 D 4.6754 8.7766 119.5414 56.9814 41.0532 179.0387 82 A 4.1191 8.6678 121.1115 55.1458 18.3085 179.4805 83 W 4.0995 8.4518 126.6324 60.8886 30.7765 178.2051 84 M 4.1347 8.2649 118.7020 58.4037 31.2953 178.1363 85 E 4.6132 8.7030 117.8080 58.5879 29.7958 175.9483 86 S 4.6298 7.5145 108.6597 60.2187 65.6786 176.0389 87 R 3.9944 8.1552 123.3482 56.7641 30.0938 177.7454 88 I 4.4503 7.6088 117.6854 63.4313 38.8436 176.5290 89 Y 4.5995 8.2459 116.2155 60.9599 37.9568 176.7020 90 P 4.4960 0.0000 0.0000 67.1074 31.1473 178.7539 91 V 3.6377 7.9989 119.3027 65.9806 31.2022 179.5513 92 M 4.1463 7.7238 117.2770 58.6411 31.9828 177.6336 93 S 4.5345 7.9629 115.1119 61.3088 62.4702 174.6195 94 D 4.3217 7.6906 117.4288 52.9503 42.2573 178.1977 95 I 4.4651 7.8039 127.4172 57.0456 37.9536 174.5485 96 P 4.1765 0.0000 0.0000 65.5869 31.1672 177.3803 97 A 3.9751 8.0610 117.4116 55.2753 18.3572 179.0908 98 L 4.0820 7.9306 120.2451 59.6461 42.4914 179.2102 99 S 4.0338 8.6203 117.9230 63.9542 61.9161 177.0678 100 D 5.0028 7.9686 119.9360 53.5851 39.5392 176.6434 101 L 4.4845 8.2313 121.3508 55.3539 42.8597 175.5365 102 I 4.8291 7.4153 109.7774 60.5351 40.1833 173.8707 103 T 4.7642 8.4380 107.3829 62.6283 71.0126 174.3794 104 S 4.7929 7.8403 114.3825 57.5168 66.6374 173.2311 105 M 5.3495 8.6526 119.9603 54.3951 35.3937 174.1033 106 V 4.6502 8.4958 121.2216 60.2192 34.7923 172.3679 107 A 3.2914 8.9065 124.8304 53.9576 18.1026 175.4436 108 S 4.2209 8.8746 118.5147 58.7083 62.9520 176.3276 109 G 4.1482 7.4652 106.5988 45.4337 0.0000 170.5634 110 Y 4.5117 8.4558 120.1039 56.3143 40.9131 173.5564 111 D 4.9701 9.0119 127.0125 52.5298 43.9446 175.1026 112 Y 5.1935 8.5065 119.8459 56.6429 39.6178 175.1394 113 R 4.9344 8.7364 124.7913 55.3177 34.6411 175.2143 114 R 5.0031 8.2486 118.3383 55.3909 33.8546 173.3081 115 D 3.3700 7.8390 124.4696 54.8043 41.0983 177.2196 116 D 4.3547 8.6805 127.8248 54.8631 41.1762 173.9216 117 D 4.7341 7.6274 117.1176 52.3520 39.5383 182.6304 *119 G 3.8281 7.7285 111.5871 46.1890 0.0000 172.1665 120 L 4.4941 10.0351 129.4260 55.6554 42.6501 174.5085 121 W 5.5979 7.0170 115.0244 56.7646 32.2994 174.3220 122 S 5.0954 9.4601 120.6254 57.9119 65.5064 174.1764 123 S 5.0972 9.6117 123.2867 55.8347 66.1229 169.3372 124 A 4.5653 8.0840 119.6037 51.0647 21.8060 174.5849 125 D 4.8572 9.1700 123.7210 52.2469 43.8381 174.3723 126 L 4.8353 8.3749 128.4484 53.4411 44.3345 175.1157 127 T 5.7231 8.2824 115.0648 59.1027 72.0162 172.3586 128 Y 5.0613 8.3731 119.2390 56.3225 42.5341 174.2825 129 V 4.7730 8.8092 123.0665 61.5397 33.3866 174.7224 130 I 5.0917 8.8520 121.9081 59.3241 41.0751 174.4743 131 T 5.3134 8.5433 113.0757 60.3559 71.7662 172.4212 132 Y 5.0086 8.4984 124.1344 57.0486 42.3594 174.1091 133 E 5.7842 8.7944 117.7693 54.0606 30.8296 174.5847 134 M 4.2633 8.8371 124.4382 55.1446 32.2874 176.1125 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 H 8.44 4.67 0.00 2.95 2.92 0.00 7.18 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 4 M 8.22 4.04 0.00 2.08 1.89 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 2.51 2.43 0.00 5 K 9.21 3.76 0.00 1.82 1.61 0.00 1.66 0.00 0.00 1.84 0.00 0.00 3.22 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.43 7.81 6 H 8.03 4.13 0.00 3.11 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.85 3.87 4.35 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 1.19 0.00 0.00 8 E 8.03 4.01 0.00 2.13 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 2.30 2.47 0.00 9 L 8.68 3.85 0.00 1.67 1.53 0.21 0.72 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 10 R 8.30 3.90 0.00 1.87 2.03 0.00 3.45 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 11 A 7.80 3.90 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 12 A 7.97 3.90 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 13 V 7.50 3.56 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 1.05 0.00 0.00 0.93 0.00 0.00 14 L 7.89 4.01 0.00 1.83 1.69 0.97 1.52 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 15 D 8.76 4.13 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 4.04 1.36 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 0.00 0.00 0.00 0.00 0.00 17 L 7.57 4.53 0.00 1.97 2.12 1.18 1.06 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 18 E 8.83 4.32 0.00 1.84 1.61 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 1.47 1.63 0.00 19 K 8.31 4.55 0.00 1.66 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.15 1.21 7.81 *23 G 8.30 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 24 A 8.68 4.66 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 25 T 8.34 4.78 4.39 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 1.12 0.00 0.00 26 F 9.10 5.90 0.00 2.85 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 27 F 8.72 4.65 0.00 2.85 2.85 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 28 D 9.10 4.66 0.00 2.70 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 29 G 8.43 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 30 R 7.68 3.83 0.00 0.67 1.33 0.00 3.16 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 31 P 0.00 4.04 0.00 0.49 0.82 0.00 2.96 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.24 0.00 32 A 8.08 4.31 1.12 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 0.00 0.00 33 V 7.08 4.38 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 0.82 0.00 0.00 0.93 0.00 0.00 34 F 8.37 4.88 0.00 3.05 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 35 D 8.42 4.44 0.00 2.62 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 *37 A 7.56 4.29 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 38 D 7.97 4.55 0.00 2.59 2.82 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 39 F 8.06 4.21 0.00 2.85 2.94 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 0.00 0.00 0.00 40 P 0.00 4.63 0.00 2.20 1.74 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 41 A 8.11 4.64 0.22 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 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.59 4.60 1.04 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 0.93 0.00 0.00 0.57 0.00 0.00 43 A 9.37 5.40 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 44 V 8.53 5.25 2.21 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 1.43 0.00 0.00 1.09 0.00 0.00 45 Y 7.68 5.04 0.00 3.10 2.99 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 46 L 8.78 5.46 0.00 1.48 1.58 0.65 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.47 4.69 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 1.44 0.00 0.00 48 G 8.71 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 0.00 0.00 0.00 49 A 8.20 4.94 1.48 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 0.00 0.00 50 E 9.77 4.96 0.00 1.93 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 0.00 2.42 2.21 0.00 51 Y 7.98 2.86 0.00 1.71 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 0.00 0.00 0.00 52 T 7.28 4.09 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 1.04 0.00 0.00 53 G 5.38 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 5.81 0.00 1.97 1.70 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 2.12 1.81 0.00 55 E 8.65 4.36 0.00 1.90 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 2.15 2.21 0.00 *58 S 7.81 4.41 0.00 3.68 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 59 D 7.88 5.42 0.00 2.79 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 60 T 8.42 5.09 4.09 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 1.15 0.00 0.00 61 W 9.11 5.19 0.00 1.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.06 5.38 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 63 A 8.45 5.21 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 64 E 9.08 4.68 0.00 1.98 1.78 0.00 0.00 0.00 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 2.44 0.00 65 L 9.89 4.59 0.00 1.79 1.62 0.90 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 66 H 8.93 5.00 0.00 1.69 1.99 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.74 4.57 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.01 0.97 0.00 0.00 68 E 9.25 4.91 0.00 2.20 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 1.47 2.00 0.00 69 V 8.14 4.32 1.81 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 0.49 0.00 0.00 -0.22 0.00 0.00 70 F 9.71 4.83 0.00 2.30 2.52 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 71 L 8.34 5.05 0.00 1.59 1.53 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 3.51 0.00 1.78 1.68 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.79 0.00 73 A 8.77 3.32 1.18 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 0.00 0.00 0.00 0.00 0.00 74 Q 8.32 4.08 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.71 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 75 V 7.94 4.58 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 1.04 0.00 0.00 1.05 0.00 0.00 76 P 0.00 4.35 0.00 2.27 2.18 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 77 D 9.11 4.56 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.22 0.00 3.73 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 79 E 8.66 4.16 0.00 2.07 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 0.00 2.46 2.46 0.00 80 L 8.12 4.03 0.00 2.13 1.84 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.78 4.68 0.00 2.99 2.88 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 82 A 8.67 4.12 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 83 W 8.45 4.10 0.00 3.65 3.19 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 84 M 8.26 4.13 0.00 1.78 2.32 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.72 0.00 85 E 8.70 4.61 0.00 2.17 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 0.00 2.41 2.47 0.00 86 S 7.51 4.63 0.00 4.00 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 87 R 8.16 3.99 0.00 0.94 1.64 0.00 2.21 0.00 0.00 2.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.07 0.00 88 I 7.61 4.45 1.97 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.96 0.00 0.00 89 Y 8.25 4.60 0.00 3.14 2.93 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 90 P 0.00 4.50 0.00 2.30 2.39 0.00 3.81 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 91 V 8.00 3.64 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 0.81 0.00 0.00 0.93 0.00 0.00 92 M 7.72 4.15 0.00 2.11 2.47 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 2.31 2.72 0.00 93 S 7.96 4.53 0.00 3.94 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 94 D 7.69 4.32 0.00 2.70 2.41 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 95 I 7.80 4.47 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 0.88 0.00 0.00 96 P 0.00 4.18 0.00 2.14 2.11 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 97 A 8.06 3.98 1.28 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 98 L 7.93 4.08 0.00 1.73 1.85 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.62 4.03 0.00 3.73 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 0.00 100 D 7.97 5.00 0.00 2.83 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 0.00 101 L 8.23 4.48 0.00 1.69 1.92 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.42 4.83 2.16 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.90 0.94 0.00 0.00 103 T 8.44 4.76 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 1.28 0.00 0.00 104 S 7.84 4.79 0.00 3.98 3.98 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 0.00 105 M 8.65 5.35 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 106 V 8.50 4.65 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 0.61 0.00 0.00 0.97 0.00 0.00 107 A 8.91 3.29 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 0.00 108 S 8.87 4.22 0.00 3.78 3.59 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 0.00 109 G 7.47 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 Y 8.46 4.51 0.00 2.98 2.76 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 0.00 111 D 9.01 4.97 0.00 2.44 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 0.00 112 Y 8.51 5.19 0.00 2.86 2.88 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 0.00 113 R 8.74 4.93 0.00 1.90 1.97 0.00 3.21 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 114 R 8.25 5.00 0.00 1.54 1.63 0.00 3.27 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 115 D 7.84 3.37 0.00 1.58 1.71 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 0.00 116 D 8.68 4.35 0.00 2.73 2.56 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 0.00 117 D 7.63 4.73 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *119 G 7.73 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 0.00 0.00 0.00 0.00 120 L 10.04 4.49 0.00 1.36 1.68 0.92 0.79 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 0.00 121 W 7.02 5.60 0.00 3.71 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 0.00 122 S 9.46 5.10 0.00 3.40 3.72 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 0.00 123 S 9.61 5.10 0.00 3.33 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 0.00 124 A 8.08 4.57 0.95 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 0.00 125 D 9.17 4.86 0.00 2.33 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 0.00 126 L 8.37 4.84 0.00 1.65 1.58 1.02 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.28 5.72 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 0.89 0.00 0.00 128 Y 8.37 5.06 0.00 2.95 2.88 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 0.00 129 V 8.81 4.77 2.13 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 1.03 0.00 0.00 0.99 0.00 0.00 130 I 8.85 5.09 2.04 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 1.46 0.86 0.98 0.00 0.00 131 T 8.54 5.31 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 1.24 0.00 0.00 132 Y 8.50 5.01 0.00 3.18 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 0.00 133 E 8.79 5.78 0.00 1.74 1.79 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 2.12 1.68 0.00 134 M 8.84 4.26 0.00 1.61 1.42 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.