NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.5799 8.4449 120.3799 57.1991 30.8256 172.7230 4 E 4.2594 8.8345 123.0514 56.3225 27.0871 174.5004 5 H 4.7511 8.2487 114.7369 55.3713 31.0613 172.9621 6 C 4.4356 7.9288 120.3822 58.4644 32.7951 173.9838 7 C 4.2336 8.4080 129.8006 57.3471 43.1802 172.0358 8 S 4.3513 7.6918 115.8018 58.1455 65.3267 173.8695 9 E 3.7685 8.7427 120.0188 60.1879 28.9386 179.4344 10 E 3.8893 8.0122 117.2914 59.5214 29.6552 178.7994 11 D 4.3233 7.8325 118.5906 58.0228 41.0259 179.0334 12 H 4.1354 8.2682 115.0514 58.3193 28.5748 177.5556 13 R 3.8966 7.6379 121.5852 59.1858 29.8813 178.4858 14 I 3.6753 7.9915 120.1196 64.2622 37.0204 178.5075 15 V 2.9329 7.5504 118.9750 65.9018 31.1982 178.1065 16 Q 4.0847 8.0151 117.6989 58.8256 28.7152 178.7042 17 K 4.0297 8.0749 120.5734 59.7111 32.0554 178.9769 18 Q 4.2529 8.2075 117.2093 58.7212 29.0333 178.0663 19 W 4.6501 9.0871 129.8846 60.7162 30.8568 177.3868 20 D 4.5776 8.5585 118.0407 57.4920 40.5933 178.0561 21 I 3.5878 7.3462 119.1105 64.6846 36.8964 178.0562 22 L 3.3676 7.0012 118.1806 56.2059 39.6372 178.1109 23 W 4.9137 6.8603 117.3182 56.3647 29.4623 177.8785 24 R 4.1907 7.7251 121.1636 58.5069 29.5964 176.6228 25 D 5.0427 7.1575 114.4743 51.3874 41.6822 176.4514 26 T 4.1188 8.3152 109.3231 63.6544 69.8191 174.8858 27 E 4.4765 7.8996 124.5728 55.9016 29.1678 177.8319 28 S 4.3872 7.8681 116.1801 61.2571 63.5750 176.0413 29 S 4.1024 8.0750 117.8288 61.2746 62.6959 176.1039 30 K 3.8980 7.7935 123.3748 59.3768 31.9358 178.8197 31 I 3.8157 7.7805 119.4234 64.1865 37.0562 178.4509 32 K 4.2749 8.7314 119.8356 59.5941 31.8717 179.4646 33 I 3.7904 8.3020 120.5918 64.2870 37.0794 178.6948 34 G 3.6741 8.1317 106.4870 47.8174 0.0000 175.5226 35 F 4.5658 8.5062 123.7177 60.9318 39.4851 177.4071 36 G 3.5446 8.4323 105.5905 47.6992 0.0000 175.3594 37 R 3.9976 8.1347 121.5309 59.1006 30.0604 178.0529 38 L 3.9397 7.9392 119.8440 58.2635 42.0191 178.7655 39 L 3.8210 7.8936 118.8485 58.0047 41.5797 179.7221 40 L 4.0636 8.1177 118.6884 57.9746 41.5178 179.5181 41 T 3.8414 8.2837 116.1299 66.7495 68.4791 176.4421 42 K 3.9373 8.2492 121.3627 59.1958 32.1939 178.5053 43 L 3.9610 8.1355 120.5555 58.3070 41.8306 178.9536 44 A 4.0536 8.4903 121.0830 54.8253 18.0371 179.3358 45 K 3.8412 7.9963 117.5524 60.0264 32.3249 178.4035 46 D 4.7752 7.9452 117.5936 55.5077 41.8298 176.4389 47 I 4.5160 7.8345 120.4397 57.4536 38.2251 173.6870 48 P 4.6047 0.0000 0.0000 65.0119 30.8803 178.0235 49 E 4.0248 8.2648 116.5806 59.0911 29.1985 179.1248 50 V 3.5099 8.2280 120.0541 65.9573 31.4390 177.3946 51 N 4.3927 8.1968 116.2423 56.6492 38.4741 177.0336 52 D 4.4496 7.9750 119.9395 57.3234 40.7035 178.7386 53 L 3.9304 7.4607 118.1310 56.7973 41.6059 178.5732 54 F 4.9618 7.3751 114.9849 57.1546 39.4809 177.6047 55 K 3.9430 7.9079 122.6657 59.7465 31.7746 178.7363 56 R 3.9857 8.1086 117.1687 58.6879 30.2966 177.6241 57 V 4.2707 7.5673 109.7251 59.9351 32.5735 174.7762 58 D 4.4051 8.3971 117.5459 54.9886 39.6095 175.3667 59 I 2.2696 7.4585 119.2986 63.2279 38.3749 176.0136 60 E 3.8913 8.1761 120.1547 58.7974 29.8669 176.6466 61 H 4.7872 8.0755 115.4237 53.0950 28.4756 173.9388 62 A 3.5308 7.9278 124.5032 55.1572 18.6379 178.9429 63 E 4.3023 8.1544 110.7973 57.2219 30.6543 177.5875 64 G 3.8975 8.8368 108.9314 43.9339 0.0000 172.6447 65 P 4.3398 0.0000 0.0000 65.6910 31.3557 178.6483 66 K 3.9441 8.1177 117.7482 59.5438 31.9923 178.8190 67 F 4.4140 8.1355 121.4199 60.7446 39.4375 177.0378 68 S 4.0388 8.3097 114.7033 61.7083 62.7268 176.4800 69 A 3.9734 8.0436 123.0864 55.5643 18.0176 179.1072 70 H 3.9986 8.0841 115.9734 59.3412 29.9227 177.3317 71 A 3.6481 7.9007 122.8266 54.9731 18.0478 179.5159 72 L 3.9265 7.9051 117.5118 57.8059 41.6399 179.7885 73 R 3.8143 7.8669 118.5387 59.5061 30.0534 178.4562 74 I 3.6661 7.7567 118.6609 63.9935 37.8697 177.5961 75 L 4.1729 8.0660 121.2667 58.2876 41.9079 178.6818 76 N 4.4988 8.7268 116.8737 55.7193 38.4396 177.7569 77 G 3.6214 8.0438 107.7014 47.7515 0.0000 175.6388 78 L 4.0316 8.2968 123.2393 57.6697 42.0156 178.4111 79 D 4.5553 8.6147 118.4665 57.1978 40.9476 177.9278 80 L 3.9091 8.1683 119.9008 58.1255 42.4513 178.3564 81 A 4.1153 7.8460 120.4508 55.4654 18.4189 179.5578 82 I 3.4901 7.5785 117.9250 64.6140 36.9832 178.1256 83 N 4.6704 8.3610 114.9389 54.6380 38.7351 176.2073 84 L 4.5741 7.5824 119.9697 54.3133 41.9970 177.9748 85 L 3.8331 7.4786 120.6631 57.7934 41.6498 177.5213 86 D 4.5744 7.8416 115.4914 54.2571 41.3290 176.4990 87 D 4.7427 8.0706 117.6140 50.4374 42.2497 173.2616 88 P 4.1999 0.0000 0.0000 65.5029 31.4876 176.7461 89 P 4.2429 0.0000 0.0000 65.2885 31.3720 178.2697 90 A 3.9902 7.9535 120.2063 54.6223 18.2639 179.2081 91 L 3.8596 8.0695 119.0365 58.5380 42.0466 179.0338 92 D 4.3499 8.2164 118.4520 57.2539 40.7604 178.5640 93 A 3.9694 7.9251 120.6366 55.1257 18.3757 179.6249 94 A 3.9567 7.8771 119.1360 55.4174 18.5132 179.9698 95 L 3.9952 8.4491 117.9501 57.6524 41.5545 179.2874 96 D 4.2323 8.4344 118.5712 57.4221 41.2105 177.5155 97 H 4.1275 8.2963 118.7446 59.5280 29.8584 176.9776 98 L 4.0340 8.1461 120.3134 57.7239 41.4651 179.2019 99 A 4.5716 8.1147 122.3213 54.9937 18.4219 179.2868 100 H 4.0815 8.2076 114.4796 59.3431 28.6037 177.9999 101 Q 4.0121 7.8798 118.2555 59.3180 28.7990 178.3695 102 H 4.4467 8.3427 116.8811 57.9110 28.6984 177.1768 103 E 3.8990 8.0503 121.1707 59.4854 29.4251 178.1571 104 V 3.8482 7.6207 107.8306 61.9227 31.4971 175.9101 105 R 4.4642 7.8727 121.5272 53.8997 30.7248 175.6244 106 E 4.1107 8.5227 122.1332 57.4846 30.3870 175.3709 107 G 4.1200 8.9864 109.9875 45.9668 0.0000 174.4084 108 V 3.7900 7.0154 119.6072 62.8577 31.8759 175.0167 109 Q 4.6838 8.2753 123.7994 53.1504 32.1942 175.7798 110 K 3.8320 8.8671 118.0258 60.1191 32.0445 179.1262 111 A 4.1061 8.0330 120.1264 55.4846 18.2035 179.2564 112 H 4.3237 8.4687 114.9143 59.2175 28.7894 178.0770 113 F 4.0886 8.4929 119.0607 60.1191 38.6181 177.5649 114 K 4.1167 8.2511 119.4210 59.1264 31.8869 178.9278 115 K 4.1608 8.1258 119.6684 59.4059 32.2005 178.3685 116 F 4.1945 8.5547 121.3421 61.4669 39.1649 177.0767 117 G 3.8170 8.2472 105.1047 48.0894 0.0000 175.4272 118 E 3.9711 7.8752 120.7242 59.2536 29.4762 179.4503 119 I 3.6168 7.9402 120.1778 64.2811 37.1020 178.3050 120 L 3.6584 8.1874 121.2144 57.9456 41.6479 178.8869 121 A 4.0919 7.9617 119.9995 55.3180 18.3393 179.5146 122 T 4.0436 7.7144 113.7742 66.6632 69.0667 177.2178 123 G 3.7685 8.2303 107.8023 47.3832 0.0000 175.8463 124 L 3.7782 7.7265 121.5360 57.0829 41.4548 177.8634 125 P 4.0183 0.0000 0.0000 65.4103 31.0748 177.8848 126 Q 4.0117 7.4714 116.6778 57.7878 28.6619 177.0063 127 V 3.9227 7.2474 111.2761 61.1185 33.3107 175.5831 128 L 4.4012 7.8045 121.3351 52.9322 42.3081 176.5745 129 D 4.4691 8.5651 122.5557 53.7059 39.8096 175.4964 130 D 4.6755 7.5800 119.3717 52.8684 42.6950 174.7643 131 Y 4.5037 8.3336 128.4480 55.3446 40.4598 174.5473 132 D 4.4925 8.7733 128.6543 53.3607 41.6980 176.2135 133 A 3.7357 8.4223 130.3660 55.0385 18.5978 178.9984 134 L 3.9434 7.8931 116.8570 57.8396 41.8410 179.3695 135 A 3.9300 8.8677 121.0424 54.9014 18.2568 179.7858 136 W 3.8177 7.9916 117.3413 59.5571 29.1543 178.3880 137 K 3.9887 8.2805 119.9296 59.8656 31.7373 178.8932 138 S 4.1726 8.0097 113.9911 61.5868 63.1028 175.7729 139 C 4.2386 8.1834 120.1788 59.7039 39.8648 175.9238 140 L 4.0160 8.6617 121.0087 57.6801 41.1305 179.5336 141 K 4.0594 8.3194 119.5807 59.5436 32.3005 178.9369 142 G 3.6660 7.9519 105.5754 47.9228 0.0000 175.6726 143 I 3.7193 7.6582 121.6174 64.2263 37.3383 178.3778 144 L 4.2128 8.2806 120.0193 58.4232 41.1930 179.9383 145 T 3.8512 8.2406 115.7362 66.3617 68.1385 176.7713 146 K 3.9030 7.6636 120.1265 59.5991 32.6280 178.7237 147 I 3.7511 7.8777 120.3579 63.5586 36.8526 177.5145 148 S 4.0104 7.2653 112.5852 58.1625 62.9863 176.1080 149 S 4.0989 7.3914 118.4944 61.3606 62.6483 174.9648 150 R 4.3323 7.4791 118.9474 55.9391 30.0138 176.2016 151 L 4.2383 7.3996 124.4645 54.8985 41.7284 176.3771 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 4.58 0.00 3.05 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.83 4.26 0.00 1.86 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 2.52 2.46 0.00 5 H 8.25 4.75 0.00 3.13 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 7.93 4.44 0.00 2.92 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 7 C 8.41 4.23 0.00 2.99 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 8 S 7.69 4.35 0.00 4.07 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 9 E 8.74 3.77 0.00 1.95 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 0.00 2.40 2.36 0.00 10 E 8.01 3.89 0.00 1.93 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 2.36 2.33 0.00 11 D 7.83 4.32 0.00 2.80 2.65 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 0.00 0.00 0.00 0.00 12 H 8.27 4.14 0.00 3.20 3.47 0.00 5.26 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.64 3.90 0.00 1.90 2.04 0.00 3.08 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 14 I 7.99 3.68 1.92 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 1.67 0.92 0.94 0.00 0.00 15 V 7.55 2.93 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 -0.15 0.00 0.00 -0.01 0.00 0.00 16 Q 8.02 4.08 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 17 K 8.07 4.03 0.00 1.99 2.01 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.53 7.81 18 Q 8.21 4.25 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 19 W 9.09 4.65 0.00 3.96 3.55 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 0.00 0.00 0.00 0.00 20 D 8.56 4.58 0.00 3.24 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 21 I 7.35 3.59 2.02 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 1.48 0.67 0.76 0.00 0.00 22 L 7.00 3.37 0.00 0.27 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 23 W 6.86 4.91 0.00 3.37 3.06 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 24 R 7.73 4.19 0.00 1.75 1.98 0.00 3.27 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 25 D 7.16 5.04 0.00 2.77 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 26 T 8.32 4.12 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 27 E 7.90 4.48 0.00 2.03 1.98 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 2.37 2.24 0.00 28 S 7.87 4.39 0.00 4.16 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 0.00 29 S 8.07 4.10 0.00 4.07 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 0.00 30 K 7.79 3.90 0.00 1.89 2.00 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.56 7.81 31 I 7.78 3.82 2.21 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.77 0.00 0.00 32 K 8.73 4.27 0.00 1.99 1.92 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.59 7.81 33 I 8.30 3.79 1.98 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 1.60 0.69 0.94 0.00 0.00 34 G 8.13 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.51 4.57 0.00 3.17 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 36 G 8.43 3.54 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 0.00 0.00 0.00 37 R 8.13 4.00 0.00 2.06 2.18 0.00 3.35 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 38 L 7.94 3.94 0.00 1.91 1.92 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.89 3.82 0.00 1.81 1.65 0.33 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.12 4.06 0.00 1.79 1.59 0.49 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.28 3.84 4.58 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 1.21 0.00 0.00 42 K 8.25 3.94 0.00 1.93 1.96 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.48 7.81 43 L 8.14 3.96 0.00 2.07 1.98 1.08 0.90 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 44 A 8.49 4.05 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.00 3.84 0.00 1.88 2.06 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 46 D 7.95 4.78 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.52 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.98 0.00 0.00 48 P 0.00 4.60 0.00 2.26 2.33 0.00 3.89 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 2.09 1.90 0.00 49 E 8.26 4.02 0.00 2.23 2.28 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 2.41 2.39 0.00 50 V 8.23 3.51 2.25 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 1.28 0.00 0.00 0.77 0.00 0.00 51 N 8.20 4.39 0.00 2.98 2.87 0.00 0.00 6.98 8.07 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 52 D 7.97 4.45 0.00 2.80 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 53 L 7.46 3.93 0.00 1.20 1.24 0.78 1.19 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 54 F 7.38 4.96 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 55 K 7.91 3.94 0.00 1.95 1.81 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 56 R 8.11 3.99 0.00 1.85 1.99 0.00 3.45 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 57 V 7.57 4.27 2.23 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 0.89 0.00 0.00 1.22 0.00 0.00 58 D 8.40 4.41 0.00 2.98 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 59 I 7.46 2.27 1.54 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.36 0.97 0.00 0.00 60 E 8.18 3.89 0.00 1.91 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 0.00 2.06 2.26 0.00 61 H 8.08 4.79 0.00 3.39 3.35 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.93 3.53 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 63 E 8.15 4.30 0.00 2.13 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 2.29 2.27 0.00 64 G 8.84 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 0.00 0.00 0.00 65 P 0.00 4.34 0.00 2.29 2.34 0.00 3.74 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 2.09 2.07 0.00 66 K 8.12 3.94 0.00 1.86 2.21 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.48 7.81 67 F 8.14 4.41 0.00 3.35 3.26 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 68 S 8.31 4.04 0.00 4.17 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 69 A 8.04 3.97 1.38 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 0.00 0.00 0.00 70 H 8.08 4.00 0.00 3.27 3.28 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.90 3.65 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 72 L 7.91 3.93 0.00 1.90 1.70 0.90 0.56 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 73 R 7.87 3.81 0.00 2.05 1.87 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 74 I 7.76 3.67 1.72 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 0.84 0.00 0.00 75 L 8.07 4.17 0.00 2.09 1.75 1.59 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.73 4.50 0.00 2.96 2.84 0.00 0.00 6.87 8.07 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 77 G 8.04 3.62 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 0.00 0.00 0.00 78 L 8.30 4.03 0.00 1.90 1.99 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.61 4.56 0.00 3.17 2.90 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 80 L 8.17 3.91 0.00 1.72 1.97 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.85 4.12 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 82 I 7.58 3.49 1.52 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.73 0.00 0.00 83 N 8.36 4.67 0.00 2.86 2.90 0.00 0.00 6.98 8.61 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 84 L 7.58 4.57 0.00 1.83 1.62 0.91 0.36 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 85 L 7.48 3.83 0.00 1.62 1.48 0.72 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.84 4.57 0.00 2.64 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 87 D 8.07 4.74 0.00 2.65 2.43 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 88 P 0.00 4.20 0.00 2.26 2.28 0.00 3.71 0.00 0.00 3.76 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 89 P 0.00 4.24 0.00 2.27 2.33 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 90 A 7.95 3.99 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 91 L 8.07 3.86 0.00 1.92 1.85 0.93 1.05 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 D 8.22 4.35 0.00 2.92 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 93 A 7.93 3.97 1.38 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 0.00 0.00 0.00 94 A 7.88 3.96 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 95 L 8.45 4.00 0.00 1.64 1.71 0.90 0.98 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 96 D 8.43 4.23 0.00 2.91 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 97 H 8.30 4.13 0.00 3.43 3.52 0.00 5.85 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 98 L 8.15 4.03 0.00 1.95 1.79 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.11 4.57 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 0.00 100 H 8.21 4.08 0.00 3.28 3.32 0.00 5.63 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 0.00 101 Q 7.88 4.01 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 102 H 8.34 4.45 0.00 3.26 3.45 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.05 3.90 0.00 1.99 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 0.00 2.33 2.42 0.00 104 V 7.62 3.85 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 0.78 0.00 0.00 0.98 0.00 0.00 105 R 7.87 4.46 0.00 1.86 1.79 0.00 3.26 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 106 E 8.52 4.11 0.00 2.06 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 2.26 2.28 0.00 107 G 8.99 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 0.00 0.00 0.00 108 V 7.02 3.79 2.28 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 1.07 0.00 0.00 0.88 0.00 0.00 109 Q 8.28 4.68 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.56 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 110 K 8.87 3.83 0.00 1.82 1.95 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.50 7.81 111 A 8.03 4.11 1.33 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 0.00 0.00 0.00 112 H 8.47 4.32 0.00 3.42 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.49 4.09 0.00 3.30 3.20 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 0.00 114 K 8.25 4.12 0.00 1.95 2.04 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.51 7.81 115 K 8.13 4.16 0.00 2.13 1.87 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.64 7.81 116 F 8.55 4.19 0.00 3.06 3.16 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 0.00 117 G 8.25 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 0.00 0.00 0.00 118 E 7.88 3.97 0.00 2.16 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 2.36 2.56 0.00 119 I 7.94 3.62 1.78 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 1.37 0.69 0.75 0.00 0.00 120 L 8.19 3.66 0.00 1.37 1.67 0.81 1.19 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 0.00 121 A 7.96 4.09 1.44 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 0.00 0.00 122 T 7.71 4.04 4.31 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 1.16 0.00 0.00 123 G 8.23 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 0.00 124 L 7.73 3.78 0.00 1.12 1.10 0.65 1.07 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 0.00 125 P 0.00 4.02 0.00 1.95 1.63 0.00 3.20 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.58 0.00 126 Q 7.47 4.01 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 127 V 7.25 3.92 1.62 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 0.31 0.00 0.00 0.27 0.00 0.00 128 L 7.80 4.40 0.00 1.57 1.54 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.57 4.47 0.00 2.73 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 0.00 130 D 7.58 4.68 0.00 2.55 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 0.00 131 Y 8.33 4.50 0.00 2.76 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 0.00 132 D 8.77 4.49 0.00 2.80 2.55 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 0.00 0.00 0.00 0.00 133 A 8.42 3.74 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 0.00 0.00 134 L 7.89 3.94 0.00 1.86 1.72 0.93 1.11 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 0.00 135 A 8.87 3.93 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 0.00 136 W 7.99 3.82 0.00 3.23 3.35 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 0.00 137 K 8.28 3.99 0.00 2.05 2.03 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.54 7.81 138 S 8.01 4.17 0.00 4.13 4.11 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 0.00 139 C 8.18 4.24 0.00 2.87 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 0.00 140 L 8.66 4.02 0.00 1.87 1.86 1.20 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.32 4.06 0.00 2.01 1.97 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 142 G 7.95 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.66 3.72 2.04 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 1.50 0.86 0.96 0.00 0.00 144 L 8.28 4.21 0.00 1.86 1.99 1.18 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.24 3.85 4.27 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 1.19 0.00 0.00 146 K 7.66 3.90 0.00 1.93 1.79 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.48 7.81 147 I 7.88 3.75 1.73 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.93 0.78 0.00 0.00 148 S 7.27 4.01 0.00 3.57 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 0.00 149 S 7.39 4.10 0.00 3.97 4.11 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 0.00 150 R 7.48 4.33 0.00 1.72 1.92 0.00 2.95 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 151 L 7.40 4.24 0.00 1.59 1.53 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00