NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7187 8.4093 119.2107 53.6879 40.1172 173.8334 5 I 4.0739 8.1985 117.9453 60.5352 39.2619 173.2550 6 L 5.2746 8.8888 126.7989 53.8613 45.7826 176.0712 7 S 5.3353 9.2238 122.1304 56.9405 66.7439 173.6188 8 V 5.0833 8.8438 115.4165 59.0801 36.2003 174.0697 9 H 5.4005 8.3546 116.2803 54.7289 32.4422 172.0349 10 I 4.7833 8.6262 119.3172 59.4203 40.8851 174.1047 11 L 4.8503 8.6411 129.2136 53.1259 44.6162 174.6802 12 N 5.0444 8.9814 126.0263 53.2023 39.1216 175.3975 13 Q 4.2859 9.2333 126.6255 57.9600 28.6987 177.8230 14 Q 4.2753 8.8048 118.2835 57.5235 29.1572 176.7270 15 T 4.3673 8.1227 105.5818 60.4385 70.3821 174.9921 16 G 3.9851 8.3403 109.4869 46.1407 0.0000 173.0719 17 K 4.8160 7.6516 117.4376 53.2025 36.5580 174.2342 18 P 4.7663 0.0000 0.0000 62.8906 32.3592 176.3532 19 A 4.3785 8.6883 124.7750 50.9400 19.3616 176.5229 20 A 4.5801 8.6385 123.3322 51.5409 21.0136 175.6414 21 D 4.3092 8.3897 116.5155 55.2159 40.5166 173.7218 22 V 4.2908 7.7251 117.1547 61.4159 33.4511 175.1159 23 T 4.5936 8.4431 124.6319 63.5906 70.0662 173.6240 24 V 4.7337 8.9681 125.6368 61.4302 34.8298 174.5382 25 T 4.8306 8.4451 118.0722 60.1710 71.8279 173.1717 26 L 5.1231 8.5132 124.1659 53.3823 45.0249 175.0747 27 E 5.2591 9.5179 125.0634 54.4465 33.8301 174.4951 28 K 4.4622 9.0525 123.4771 54.2591 34.7671 175.2764 29 K 3.5129 7.9721 128.7489 55.9596 32.9122 176.3446 30 A 4.1464 8.6460 129.1526 52.4906 22.8268 176.0179 31 D 4.2202 9.3910 124.0906 56.0131 38.2752 173.5768 32 N 4.0022 7.9795 109.8841 53.7699 37.2187 174.3580 33 G 4.3593 7.6197 106.1385 44.2134 0.0000 171.7675 34 W 5.4291 8.6997 117.7602 54.6521 33.1334 174.8801 35 L 4.7666 8.9254 125.2854 53.0571 44.4175 175.2524 36 Q 4.4733 8.8303 127.8397 56.4045 29.1350 175.1445 37 L 4.5042 8.6836 126.0635 56.0484 43.9241 176.0090 38 N 4.7424 7.5061 114.3399 53.0551 42.3094 173.1321 39 T 5.1129 8.1821 115.9217 60.8868 71.0040 172.1424 40 A 4.6120 8.5559 127.2655 51.2830 23.5220 174.8639 41 K 5.1696 8.3075 117.9964 54.4450 35.1778 176.9879 42 T 4.2431 8.8112 115.3531 62.0418 70.1138 174.5727 43 D 5.1225 8.9364 124.3972 52.2411 41.4085 176.8132 44 K 3.9474 8.5695 117.1494 59.8507 32.4930 177.0751 45 D 4.5989 8.3291 117.9511 53.7570 41.0475 176.7179 46 G 4.0430 8.4150 107.5435 46.1954 0.0000 173.6346 47 R 5.0587 8.3722 118.3224 54.0704 32.6952 175.6096 48 I 4.6819 8.6307 121.9564 59.3596 38.2197 176.7953 49 K 4.0956 8.6758 125.8213 58.7739 32.2974 177.9771 50 A 4.9295 7.4370 120.2819 50.5661 19.0006 174.6783 51 L 4.2033 8.8724 123.3145 55.9392 43.0506 177.4768 52 W 3.8654 8.2127 128.9252 56.2653 30.9923 173.7855 53 P 4.5181 0.0000 0.0000 62.6986 31.6937 177.0212 54 E 4.4764 8.2747 119.0987 53.9408 27.7890 175.5417 55 Q 4.6766 7.7141 116.2001 54.7331 31.3850 175.2720 56 T 3.9239 8.5983 110.8925 61.7156 69.3529 173.9497 57 A 4.5205 8.2739 127.7132 52.1898 19.1507 176.7098 58 T 4.7589 7.8643 110.6665 59.5143 71.3298 174.6248 59 T 4.2514 8.2033 113.1245 61.9639 69.7832 174.4146 60 G 3.7666 7.5595 108.6134 44.3695 0.0000 171.8694 61 D 5.2771 8.0001 119.0727 53.2492 43.3171 175.5208 62 Y 5.2940 8.4749 118.2945 56.4709 43.3828 174.3259 63 R 4.9349 8.9879 120.2544 55.2012 33.5221 173.9209 64 V 4.6400 8.8192 120.0916 59.7968 34.2829 175.2258 65 V 4.6060 8.1439 124.2089 61.0494 34.2163 174.2726 66 F 4.5916 9.0862 128.3855 56.2060 39.8884 177.0278 67 K 4.3467 8.7174 128.3464 55.7100 28.5846 177.8399 68 T 4.1739 7.6806 112.1268 63.7539 69.7895 177.2996 69 G 4.0545 8.0735 109.9961 47.5338 0.0000 175.2528 70 D 4.4279 8.1243 121.1550 56.9489 40.4795 177.9726 71 Y 4.0361 7.6821 120.0281 60.9337 38.7628 178.4304 72 F 4.1328 8.2847 118.6394 60.3793 39.0202 177.7027 73 K 4.0234 8.3837 119.3520 59.3230 31.7327 179.0876 74 K 3.9879 7.8656 118.1092 59.1049 32.0754 177.6149 75 Q 4.3174 7.3544 115.4202 55.0310 28.6283 175.1287 76 N 4.2322 7.8861 114.1444 54.5359 36.6339 174.0716 77 L 4.7658 7.8898 116.8427 52.6692 44.1303 176.9469 78 E 4.1757 8.6574 123.1014 56.2522 30.2186 176.2022 79 S 4.1631 7.9960 115.7918 55.9170 65.5596 173.9093 80 F 4.1878 7.6686 128.4032 60.0170 39.2559 175.2374 81 F 4.7594 7.1227 119.8896 54.5972 40.3299 173.9222 82 P 4.3951 0.0000 0.0000 65.6500 31.3765 175.3971 83 E 4.9779 7.6182 113.9209 55.5952 32.6659 175.1323 84 I 4.3423 8.6704 120.8458 58.6521 39.2860 173.2768 85 P 4.8618 0.0000 0.0000 62.3035 32.7377 176.0124 86 V 4.4670 9.0053 122.5108 61.3817 34.4647 173.7939 87 E 5.3665 9.0107 127.7347 55.2503 31.1056 175.4602 88 F 5.1501 8.6840 117.4632 55.8022 41.9768 172.9520 89 H 5.0055 9.0858 117.3847 55.5057 30.0592 175.1836 90 I 4.1758 8.8981 124.4394 59.9385 37.8382 176.0201 91 N 4.5009 9.0818 125.4377 54.3909 39.4806 175.9365 92 K 4.5783 8.2866 117.6694 54.4262 34.2692 177.4906 93 V 3.7114 8.5527 118.0010 63.4023 31.7163 176.8521 94 N 4.6795 8.0101 114.9225 52.8130 39.3499 174.5123 95 E 4.3272 7.4850 115.6453 55.3645 31.2201 174.7831 96 H 4.8881 8.1798 118.8867 55.3091 31.3086 173.5874 97 Y 4.5561 8.7208 122.6329 56.3103 41.3183 173.9978 98 H 5.1448 8.7330 123.0652 54.5635 33.4264 172.0706 99 V 4.2851 8.4930 125.5554 59.1541 32.2635 172.9032 100 P 4.4738 0.0000 0.0000 61.4665 33.3240 174.5271 101 L 4.5735 8.1750 123.0041 53.2618 45.2605 175.0277 102 L 4.9014 8.8874 127.0345 53.4519 43.3778 175.2355 103 L 5.1806 8.9672 126.6209 53.3845 43.8930 175.4016 104 S 5.2696 9.1773 120.8786 56.5703 67.2871 175.0732 105 Q 3.3812 9.6007 120.5831 58.8005 28.4586 178.4406 106 Y 4.5168 7.3783 109.5501 56.8827 39.4199 175.1424 107 G 4.3636 8.3149 106.5229 45.4666 0.0000 172.2159 108 Y 5.3884 7.7182 117.7343 56.0967 41.1010 173.7670 109 S 4.8498 9.1810 114.8903 57.3168 67.3603 173.2888 110 T 5.1742 8.5513 115.9711 60.4920 71.0230 171.6760 111 Y 4.7047 7.4700 120.6083 56.0989 41.0509 172.8920 112 R 4.0461 8.8571 121.5176 56.1636 30.6016 176.4967 113 G 4.1918 8.7173 115.3976 45.3753 0.0000 173.6016 114 S 4.5122 8.5818 113.3358 58.3997 63.4348 174.1274 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 N 8.41 4.72 0.00 2.76 2.87 0.00 0.00 7.02 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 5 I 8.20 4.07 1.99 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.67 0.79 0.00 0.00 6 L 8.89 5.27 0.00 2.00 1.82 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 S 9.22 5.34 0.00 3.87 3.78 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 0.00 0.00 0.00 8 V 8.84 5.08 2.40 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 0.72 0.00 0.00 0.96 0.00 0.00 9 H 8.35 5.40 0.00 3.26 3.38 0.00 5.40 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.63 4.78 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.72 0.64 0.00 0.00 11 L 8.64 4.85 0.00 1.79 1.53 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.98 5.04 0.00 2.87 2.95 0.00 0.00 6.81 6.55 0.00 0.00 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 Q 9.23 4.29 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 14 Q 8.80 4.28 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 15 T 8.12 4.37 4.30 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 1.30 0.00 0.00 16 G 8.34 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 17 K 7.65 4.82 0.00 1.68 1.69 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.62 7.81 18 P 0.00 4.77 0.00 1.95 2.13 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 19 A 8.69 4.38 0.58 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 0.00 0.00 20 A 8.64 4.58 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 21 D 8.39 4.31 0.00 2.78 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 22 V 7.73 4.29 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 0.92 0.00 0.00 0.52 0.00 0.00 23 T 8.44 4.59 4.22 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 1.17 0.00 0.00 24 V 8.97 4.73 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 0.41 0.00 0.00 0.86 0.00 0.00 25 T 8.45 4.83 4.14 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 1.13 0.00 0.00 26 L 8.51 5.12 0.00 1.62 1.32 0.95 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 27 E 9.52 5.26 0.00 1.86 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 0.00 2.22 2.16 0.00 28 K 9.05 4.46 0.00 1.84 1.58 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.05 0.72 7.81 29 K 7.97 3.51 0.00 0.79 1.06 0.00 1.47 0.00 0.00 1.33 0.00 0.00 2.74 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.59 0.21 7.81 30 A 8.65 4.15 1.07 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 31 D 9.39 4.22 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 32 N 7.98 4.00 0.00 2.78 2.83 0.00 0.00 6.93 7.65 0.00 0.00 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 G 7.62 4.36 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 0.00 34 W 8.70 5.43 0.00 3.09 3.07 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 35 L 8.93 4.77 0.00 1.68 1.44 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.83 4.47 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 37 L 8.68 4.50 0.00 1.20 1.31 0.59 0.83 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 38 N 7.51 4.74 0.00 2.59 2.48 0.00 0.00 6.60 7.22 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 39 T 8.18 5.11 4.17 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 0.00 0.00 0.00 1.17 0.00 0.00 40 A 8.56 4.61 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 41 K 8.31 5.17 0.00 1.60 1.68 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.37 7.81 42 T 8.81 4.24 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 1.26 0.00 0.00 43 D 8.94 5.12 0.00 2.90 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 44 K 8.57 3.95 0.00 1.89 2.00 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.47 7.81 45 D 8.33 4.60 0.00 2.81 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 46 G 8.42 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.37 5.06 0.00 2.16 1.84 0.00 3.03 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 48 I 8.63 4.68 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.92 0.00 0.00 49 K 8.68 4.10 0.00 1.76 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.45 7.81 50 A 7.44 4.93 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 51 L 8.87 4.20 0.00 1.61 1.88 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.21 3.87 0.00 3.54 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 53 P 0.00 4.52 0.00 2.25 2.07 0.00 2.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 54 E 8.27 4.48 0.00 1.99 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 2.32 2.40 0.00 55 Q 7.71 4.68 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 56 T 8.60 3.92 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 1.23 0.00 0.00 57 A 8.27 4.52 0.39 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 58 T 7.86 4.76 4.33 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 0.00 0.00 0.00 1.30 0.00 0.00 59 T 8.20 4.25 4.34 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 1.30 0.00 0.00 60 G 7.56 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 61 D 8.00 5.28 0.00 2.37 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.47 5.29 0.00 1.93 2.66 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 0.00 0.00 0.00 0.00 63 R 8.99 4.93 0.00 0.85 1.14 0.00 2.45 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.22 0.00 64 V 8.82 4.64 1.58 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 0.64 0.00 0.00 0.92 0.00 0.00 65 V 8.14 4.61 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 0.94 0.00 0.00 0.77 0.00 0.00 66 F 9.09 4.59 0.00 2.79 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 67 K 8.72 4.35 0.00 1.81 1.77 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.55 7.81 68 T 7.68 4.17 4.29 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 0.00 0.00 0.00 1.06 0.00 0.00 69 G 8.07 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 70 D 8.12 4.43 0.00 2.91 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 71 Y 7.68 4.04 0.00 2.88 2.92 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 72 F 8.28 4.13 0.00 3.18 3.21 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 0.00 0.00 0.00 0.00 73 K 8.38 4.02 0.00 1.98 1.84 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 74 K 7.87 3.99 0.00 1.88 1.80 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.52 7.81 75 Q 7.35 4.32 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 76 N 7.89 4.23 0.00 2.88 2.90 0.00 0.00 6.71 7.42 0.00 0.00 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 L 7.89 4.77 0.00 1.88 1.49 1.12 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.66 4.18 0.00 2.04 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 2.33 2.32 0.00 79 S 8.00 4.16 0.00 3.65 3.69 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 0.00 0.00 0.00 80 F 7.67 4.19 0.00 2.43 1.68 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 81 F 7.12 4.76 0.00 3.06 3.09 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 0.00 82 P 0.00 4.40 0.00 2.21 2.30 0.00 3.75 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 1.92 0.00 83 E 7.62 4.98 0.00 2.08 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 2.17 2.29 0.00 84 I 8.67 4.34 1.60 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.56 0.03 0.00 0.00 85 P 0.00 4.86 0.00 1.95 1.90 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 86 V 9.01 4.47 2.26 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 1.11 0.00 0.00 1.10 0.00 0.00 87 E 9.01 5.37 0.00 1.97 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 2.07 2.23 0.00 88 F 8.68 5.15 0.00 3.25 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 89 H 9.09 5.01 0.00 3.20 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.90 4.18 1.88 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.46 0.63 0.00 0.00 91 N 9.08 4.50 0.00 2.83 2.93 0.00 0.00 6.94 7.61 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 92 K 8.29 4.58 0.00 1.92 1.73 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.44 7.81 93 V 8.55 3.71 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 0.70 0.00 0.00 0.91 0.00 0.00 94 N 8.01 4.68 0.00 2.65 2.81 0.00 0.00 6.91 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 95 E 7.49 4.33 0.00 2.03 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 1.99 1.76 0.00 96 H 8.18 4.89 0.00 3.11 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.72 4.56 0.00 2.91 2.69 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 0.00 0.00 0.00 98 H 8.73 5.14 0.00 3.16 3.08 0.00 5.63 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.49 4.29 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 0.97 0.00 0.00 0.37 0.00 0.00 100 P 0.00 4.47 0.00 1.28 1.35 0.00 2.72 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 101 L 8.18 4.57 0.00 0.48 0.64 0.54 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.89 4.90 0.00 1.70 1.63 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.97 5.18 0.00 1.60 1.58 1.02 0.76 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 0.00 104 S 9.18 5.27 0.00 4.06 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 0.00 105 Q 9.60 3.38 0.00 2.05 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.74 0.00 106 Y 7.38 4.52 0.00 2.87 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 0.00 107 G 8.31 4.36 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 0.00 108 Y 7.72 5.39 0.00 2.92 2.78 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 0.00 0.00 0.00 109 S 9.18 4.85 0.00 3.84 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 0.00 110 T 8.55 5.17 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 1.32 0.00 0.00 111 Y 7.47 4.70 0.00 3.09 2.96 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 0.00 112 R 8.86 4.05 0.00 1.90 1.97 0.00 3.31 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 113 G 8.72 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 0.00 114 S 8.58 4.51 0.00 4.01 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