NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4430 8.4345 117.0992 56.3029 64.6129 174.2091 5 S 5.5821 7.8187 132.1000 58.7649 62.7430 176.4198 6 V 3.7959 7.7977 124.3987 62.7535 33.2368 178.1763 7 L 4.1904 7.9582 119.7201 56.8265 40.6134 183.7525 8 A 4.0910 8.6474 127.4754 55.3989 19.1695 180.2259 9 D 4.3174 8.0242 113.6627 56.5384 40.2154 183.7229 10 A 4.4925 8.0593 121.8115 54.6389 19.5245 180.0889 11 L 4.1579 8.2644 122.9409 59.0714 40.8540 180.5080 12 N 5.2895 7.9031 117.0091 54.8627 37.8335 180.8754 13 A 4.6765 7.8478 125.7479 54.7864 22.5419 179.4039 14 I 3.6509 7.9177 116.5458 63.0446 35.2302 180.9827 15 N 4.4404 8.8390 119.7702 56.2178 37.6007 179.5390 16 N 4.2747 7.5353 110.4371 53.1214 36.9306 177.1338 17 A 4.6905 8.5462 121.1318 54.9386 20.6694 178.9176 18 E 4.1437 8.2789 118.0815 61.4567 29.5832 182.3875 19 K 4.4193 7.4886 123.9023 61.0572 31.8373 184.9459 20 T 4.3202 9.0441 114.6077 62.9328 68.7331 177.3436 21 G 4.2320 7.9313 113.3707 46.2754 0.0000 174.0281 22 K 4.3192 7.5834 126.6399 56.1503 36.8206 173.1311 23 R 4.6052 8.5216 111.2125 59.9071 30.3937 172.6046 24 Q 3.0094 8.3765 118.0814 57.5746 28.3567 175.4920 25 V 4.3175 7.4768 111.4133 62.2043 34.5610 171.9436 26 L 4.6323 8.4008 119.4342 57.6109 42.9636 173.0797 27 I 4.1481 7.6776 117.2903 62.0929 40.4427 170.2800 28 R 4.0901 9.0200 121.6192 59.2710 28.5704 173.1015 29 P 5.0744 0.0000 0.0000 61.9040 36.4487 178.2809 30 S 5.5033 8.6043 122.1264 55.5687 61.5705 177.1024 31 S 3.6907 7.7211 121.8594 57.8496 62.8322 176.1363 32 K 4.0680 8.8637 131.5767 59.8773 31.2136 177.8671 33 V 3.9104 7.8031 122.2655 66.8775 31.7172 180.4636 34 I 3.9353 8.0345 122.9793 65.9334 35.0209 180.0420 35 I 3.9736 8.2412 123.3856 65.9230 35.2677 181.2724 36 K 4.4054 8.2292 127.1822 60.1891 31.4651 182.4503 *37 F 4.3283 8.5336 124.5456 62.3543 37.8814 180.1490 38 L 4.3554 7.9979 122.2792 59.0636 40.9990 180.3894 39 Q 4.6789 7.8444 120.3404 59.6069 29.4490 183.1349 40 V 3.8324 8.2658 125.3295 67.8176 32.1549 180.3053 41 M 4.1568 8.8688 122.2445 59.7909 30.8663 181.3593 42 Q 4.6623 8.1630 122.6296 60.5951 28.5461 182.5875 43 K 4.4812 8.2824 126.6497 59.7773 31.7154 180.2537 *44 H 4.9538 8.4995 115.7649 56.6188 29.3616 178.9530 45 G 4.0656 9.7789 108.8522 44.4491 0.0000 173.5363 *46 Y 3.5830 8.2227 123.0867 58.3339 35.5402 170.7974 47 I 4.2442 7.5613 120.8207 61.1776 37.9201 178.3403 48 G 3.7672 8.6604 111.7931 48.8992 0.0000 177.2605 49 E 4.7384 5.9000 133.5643 54.8967 33.1517 178.2688 *50 F 3.9806 8.6924 125.9471 56.5842 39.4790 173.1812 51 E 5.0740 8.6085 121.2759 55.3159 32.8816 174.8283 *52 Y 5.1125 8.3684 110.9921 58.3587 36.6401 171.3985 53 I 4.6403 8.6257 127.1062 59.6959 40.3579 177.7101 54 D 4.7176 8.3575 123.2682 55.1041 42.3107 175.2151 55 D 4.4750 8.6667 131.1112 51.6757 41.2901 171.3442 *56 H 3.7617 8.5744 111.1030 59.9079 28.3456 172.9249 57 R 4.6158 7.9201 117.0033 56.6029 31.5443 180.1895 58 S 4.4473 8.0521 112.3881 60.0215 62.3708 180.3619 59 G 3.7468 7.6921 111.8137 47.7488 0.0000 171.3448 60 K 4.0251 8.5081 122.4083 55.0741 31.1194 171.6613 61 I 5.4722 7.1627 118.1981 58.9509 40.8688 179.1880 62 V 4.3477 8.7864 121.2253 60.4649 30.0951 180.4787 63 V 4.8902 7.7784 132.6576 62.2762 34.1970 170.2820 64 Q 4.1718 8.1731 128.2048 55.1609 28.7958 175.1494 65 L 4.1060 8.4462 121.1001 53.1723 40.6642 177.4964 66 N 4.4724 8.9585 114.9844 53.1164 37.9861 178.0389 67 G 3.9449 8.6723 111.5017 45.0118 0.0000 173.7103 68 R 3.7993 8.2925 120.9650 54.8006 29.0158 173.0764 69 L 3.7159 8.3780 117.3403 56.0811 39.0194 176.7946 70 N 4.9626 8.3300 118.9677 51.9894 38.9615 178.0077 71 K 4.7264 8.0667 126.2542 53.3826 35.8947 169.1210 *72 C 3.9570 8.9240 125.9449 56.4265 28.0526 173.2400 73 G 3.7974 8.6843 115.2976 45.2307 0.0000 173.6223 74 V 4.1755 8.3879 120.8142 60.0053 32.9990 178.8982 75 I 3.9227 8.7024 125.2454 61.1892 36.1319 174.5523 76 S 3.5099 8.1831 115.7484 59.2909 60.5063 172.2774 77 P 5.2185 0.0000 0.0000 62.3801 33.2530 175.7666 78 R 4.7221 8.8040 120.3824 57.2564 30.0553 182.2381 *79 F 5.6104 7.6979 127.3866 59.3703 39.0750 170.7937 80 N 5.2133 7.6477 126.7550 52.3121 41.3476 173.5351 *81 V 4.0703 8.3837 113.1912 64.0191 34.8596 166.6429 82 K 4.3592 8.1136 121.9968 57.7441 31.6202 177.2492 83 I 3.3100 8.3082 118.9506 60.1539 34.9961 176.1448 84 G 4.2841 9.5159 109.2390 50.7826 0.0000 175.6347 85 D 4.8001 8.6427 123.3948 53.2847 39.1490 184.4502 86 I 3.4818 8.0889 117.1156 63.4486 37.0679 176.5442 87 E 4.1053 7.8316 122.7949 61.8393 29.6679 182.4234 88 K 4.4341 9.2706 127.9134 60.0111 31.9381 181.4686 *89 W 4.5400 7.9692 123.7703 60.2801 28.2189 179.4368 90 T 4.6646 7.6815 113.7137 64.2929 67.7132 180.9206 91 A 4.4594 8.8067 128.4258 55.5084 19.1326 179.8597 92 N 4.4130 7.8494 115.0786 55.7120 37.7847 181.8919 93 L 4.2071 7.1498 118.2608 55.1679 41.3771 180.3761 94 L 4.4113 8.4874 121.0942 54.0428 40.7376 174.8897 95 P 4.8006 0.0000 0.0000 60.7434 31.3873 177.1431 96 A 3.8935 8.4185 129.5129 54.8617 18.8065 176.1386 97 R 4.2238 7.5782 122.0657 57.1402 30.4163 180.8887 98 Q 3.3261 8.5872 130.1092 54.6716 26.9566 176.9920 *99 F 3.5750 8.6694 111.7078 58.4528 37.5952 174.8182 100 G 4.0274 7.0964 112.9398 44.8868 0.0000 173.3477 *101 Y 4.3477 7.8759 115.7396 57.0245 40.4251 176.7229 102 V 4.4959 7.5654 127.7938 65.3756 33.4222 174.9391 103 I 3.6973 7.1087 117.8790 63.8192 32.3673 176.8752 104 L 4.1888 7.9018 125.9404 56.1953 41.4738 180.4543 105 T 4.2762 8.9511 110.0758 62.4607 69.5998 174.6685 106 T 3.4058 8.6726 107.6455 64.8119 65.1994 179.6807 107 S 3.8218 9.1241 124.7562 59.0451 63.1300 170.3549 108 A 4.4333 7.7979 123.7351 51.3789 19.7626 174.7429 109 G 3.9889 8.9494 118.9093 46.0733 0.0000 174.5907 110 I 4.1084 8.2919 125.9375 60.9089 34.5892 172.8280 111 M 4.8575 8.6270 130.5120 53.4404 35.8563 173.2196 112 D 4.9621 8.2848 117.9336 55.0543 41.2371 175.9330 *113 H 3.8704 8.2303 119.8473 57.5773 29.2844 177.3939 114 E 4.5826 8.3175 117.6800 57.8234 31.2196 180.3171 115 E 4.2752 8.2503 113.9656 57.9823 30.0059 179.0478 116 A 4.7220 8.2298 119.2852 52.5494 20.4983 178.5164 117 R 4.0865 7.8625 116.4916 59.9555 30.6031 183.9566 118 R 4.0674 7.9745 108.4062 55.6723 30.5438 184.2282 119 K 4.0310 9.2983 127.3494 58.1879 31.1158 176.1316 *120 H 3.8970 7.7739 127.3595 54.4334 26.4047 171.5270 121 V 4.3141 7.7689 125.7981 59.6600 34.1247 175.8339 122 S 4.7125 7.8336 110.7369 59.7824 67.1951 171.6281 123 G 4.1871 8.4361 110.6335 46.9134 0.0000 178.3330 124 K 4.3713 8.9299 131.2798 54.4308 32.6683 177.1555 125 I 4.6780 7.6968 115.8569 64.6882 36.5277 180.8717 126 L 3.6990 6.8238 123.7945 56.7332 42.2484 179.2669 127 G 3.9399 7.3647 105.7283 47.9540 0.0000 172.2322 *128 F 4.5249 7.7523 115.8117 56.6815 41.7600 169.7359 129 V 4.6521 8.7582 126.2626 59.8374 34.0561 173.1332 *130 Y 3.9633 8.5631 121.0404 56.7233 36.6252 169.0413 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 4 S 8.43 4.44 0.00 3.65 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 5 S 7.82 5.58 0.00 3.84 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 6 V 7.80 3.80 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 0.67 0.00 0.00 0.93 0.00 0.00 7 L 7.96 4.19 0.00 1.57 1.48 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.65 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.32 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.49 1.35 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 0.00 0.00 11 L 8.26 4.16 0.00 1.68 1.70 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.90 5.29 0.00 2.84 2.71 0.00 0.00 6.70 7.32 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 13 A 7.85 4.68 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 14 I 7.92 3.65 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 1.16 0.70 0.91 0.00 0.00 15 N 8.84 4.44 0.00 2.66 2.87 0.00 0.00 7.33 6.53 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 16 N 7.54 4.27 0.00 2.71 2.75 0.00 0.00 6.96 7.34 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 17 A 8.55 4.69 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 18 E 8.28 4.14 0.00 1.98 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 2.32 1.98 0.00 19 K 7.49 4.42 0.00 2.03 1.75 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 20 T 9.04 4.32 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 21 G 7.93 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 0.00 0.00 0.00 0.00 22 K 7.58 4.32 0.00 1.76 1.47 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.10 0.80 7.81 23 R 8.52 4.61 0.00 1.76 1.74 0.00 3.38 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 24 Q 8.38 3.01 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.64 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 25 V 7.48 4.32 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 0.66 0.00 0.00 0.93 0.00 0.00 26 L 8.40 4.63 0.00 1.66 1.54 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.68 4.15 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 1.27 0.84 0.91 0.00 0.00 28 R 9.02 4.09 0.00 1.82 1.63 0.00 3.22 0.00 0.00 3.26 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 29 P 0.00 5.07 0.00 2.02 1.90 0.00 3.84 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 1.84 1.58 0.00 30 S 8.60 5.50 0.00 3.73 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 31 S 7.72 3.69 0.00 3.79 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 32 K 8.86 4.07 0.00 1.75 1.87 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.09 7.81 33 V 7.80 3.91 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 0.75 0.00 0.00 0.93 0.00 0.00 34 I 8.03 3.94 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 1.50 0.53 0.91 0.00 0.00 35 I 8.24 3.97 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 1.38 0.53 0.91 0.00 0.00 36 K 8.23 4.41 0.00 1.77 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *37 F 8.53 4.33 0.00 2.26 2.32 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 38 L 8.00 4.36 0.00 1.71 1.61 0.92 0.71 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 39 Q 7.84 4.68 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.59 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 40 V 8.27 3.83 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 0.89 0.00 0.00 0.93 0.00 0.00 41 M 8.87 4.16 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 42 Q 8.16 4.66 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.84 0.00 0.00 0.00 0.00 0.00 2.38 1.90 0.00 43 K 8.28 4.48 0.00 1.84 1.77 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.34 7.81 *44 H 8.50 4.95 0.00 2.98 2.98 0.00 7.16 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 9.78 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 *46 Y 8.22 3.58 0.00 2.51 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 0.00 0.00 0.00 0.00 47 I 7.56 4.24 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 1.10 0.91 0.00 0.00 48 G 8.66 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 49 E 5.90 4.74 0.00 1.65 1.82 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 2.12 2.09 0.00 *50 F 8.69 3.98 0.00 2.29 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 0.00 0.00 0.00 0.00 51 E 8.61 5.07 0.00 1.84 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 2.19 1.82 0.00 *52 Y 8.37 5.11 0.00 2.03 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 0.00 0.00 0.00 53 I 8.63 4.64 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 1.09 0.66 0.91 0.00 0.00 54 D 8.36 4.72 0.00 2.41 2.44 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 55 D 8.67 4.47 0.00 2.62 2.30 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 *56 H 8.57 3.76 0.00 2.92 2.88 0.00 7.11 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 57 R 7.92 4.62 0.00 1.69 1.89 0.00 3.22 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 0.00 58 S 8.05 4.45 0.00 3.62 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 59 G 7.69 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 60 K 8.51 4.03 0.00 1.88 1.80 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.24 7.81 61 I 7.16 5.47 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 1.27 2.22 0.91 0.00 0.00 62 V 8.79 4.35 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 0.88 0.00 0.00 0.93 0.00 0.00 63 V 7.78 4.89 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 0.89 0.00 0.00 0.93 0.00 0.00 64 Q 8.17 4.17 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.77 0.00 0.00 0.00 0.00 0.00 2.37 1.96 0.00 65 L 8.45 4.11 0.00 1.56 1.46 0.92 0.62 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 66 N 8.96 4.47 0.00 2.92 2.77 0.00 0.00 6.61 7.51 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 67 G 8.67 3.94 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 0.00 0.00 0.00 68 R 8.29 3.80 0.00 1.84 1.65 0.00 3.40 0.00 0.00 3.26 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 69 L 8.38 3.72 0.00 1.83 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.33 4.96 0.00 2.73 2.63 0.00 0.00 6.50 7.44 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 71 K 8.07 4.73 0.00 1.70 1.52 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 0.98 7.81 *72 C 8.92 3.96 0.00 2.89 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 73 G 8.68 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 74 V 8.39 4.18 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 0.71 0.00 0.00 0.93 0.00 0.00 75 I 8.70 3.92 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 1.27 1.13 0.91 0.00 0.00 76 S 8.18 3.51 0.00 3.70 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.22 0.00 2.01 1.85 0.00 3.66 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 1.83 1.56 0.00 78 R 8.80 4.72 0.00 1.78 1.46 0.00 3.39 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 *79 F 7.70 5.61 0.00 2.40 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 0.00 0.00 0.00 80 N 7.65 5.21 0.00 2.68 2.61 0.00 0.00 6.71 7.67 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 *81 V 8.38 4.07 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 0.78 0.00 0.00 0.93 0.00 0.00 82 K 8.11 4.36 0.00 1.87 1.88 0.00 1.90 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 0.99 7.81 83 I 8.31 3.31 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 1.35 0.44 0.91 0.00 0.00 84 G 9.52 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 85 D 8.64 4.80 0.00 2.60 1.80 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 86 I 8.09 3.48 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 1.27 0.48 0.91 0.00 0.00 87 E 7.83 4.11 0.00 2.24 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 2.27 2.24 0.00 88 K 9.27 4.43 0.00 1.59 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *89 W 7.97 4.54 0.00 2.50 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.68 4.66 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 91 A 8.81 4.46 1.35 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 0.00 0.00 92 N 7.85 4.41 0.00 2.74 2.76 0.00 0.00 6.88 9.02 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 93 L 7.15 4.21 0.00 1.77 1.49 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.49 4.41 0.00 1.66 1.57 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.80 0.00 2.08 2.16 0.00 3.71 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 1.82 1.34 0.00 96 A 8.42 3.89 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 97 R 7.58 4.22 0.00 1.84 1.79 0.00 3.42 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 98 Q 8.59 3.33 0.00 2.26 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 *99 F 8.67 3.58 0.00 2.39 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 0.00 0.00 0.00 0.00 100 G 7.10 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 0.00 0.00 0.00 *101 Y 7.88 4.35 0.00 2.19 2.12 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 0.00 102 V 7.57 4.50 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 0.72 0.00 0.00 0.93 0.00 0.00 103 I 7.11 3.70 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 1.27 1.89 0.91 0.00 0.00 104 L 7.90 4.19 0.00 1.56 1.63 0.92 0.65 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 0.00 105 T 8.95 4.28 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 0.00 106 T 8.67 3.41 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 0.00 107 S 9.12 3.82 0.00 3.65 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 0.00 108 A 7.80 4.43 1.24 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 0.00 109 G 8.95 3.99 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 0.00 0.00 0.00 110 I 8.29 4.11 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 1.20 0.73 0.91 0.00 0.00 111 M 8.63 4.86 0.00 1.71 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 112 D 8.28 4.96 0.00 2.34 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 *113 H 8.23 3.87 0.00 2.84 3.06 0.00 7.12 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.32 4.58 0.00 1.87 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 2.22 1.84 0.00 115 E 8.25 4.28 0.00 1.98 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 2.24 1.91 0.00 116 A 8.23 4.72 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 0.00 117 R 7.86 4.09 0.00 1.92 1.88 0.00 3.30 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 118 R 7.97 4.07 0.00 1.78 1.04 0.00 3.24 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 119 K 9.30 4.03 0.00 1.77 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.01 7.81 *120 H 7.77 3.90 0.00 2.94 2.89 0.00 7.15 0.00 0.00 0.00 0.00 6.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.77 4.31 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 0.93 0.00 0.00 122 S 7.83 4.71 0.00 3.59 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 0.00 123 G 8.44 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 0.00 0.00 0.00 0.00 124 K 8.93 4.37 0.00 1.70 1.70 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.00 7.81 125 I 7.70 4.68 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 1.27 0.66 0.91 0.00 0.00 126 L 6.82 3.70 0.00 1.69 1.62 0.92 0.78 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 0.00 127 G 7.36 3.94 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 0.00 0.00 0.00 *128 F 7.75 4.52 0.00 2.16 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 0.00 0.00 0.00 0.00 129 V 8.76 4.65 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 0.86 0.00 0.00 0.93 0.00 0.00 *130 Y 8.56 3.96 0.00 2.43 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.