NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5001 8.1633 120.6165 54.9466 33.5618 173.9709 2 K 4.4266 8.5021 126.0043 56.1772 33.0108 171.8092 3 V 4.6727 9.0906 117.4821 60.4909 37.2006 173.0826 4 I 5.1552 8.5895 125.0915 60.7228 38.7073 175.6409 5 L 5.0106 7.8465 124.8446 52.3355 44.7787 175.0526 6 L 4.2342 8.5699 125.8076 54.9972 47.6400 177.6245 7 E 3.7873 9.0603 135.0000 55.9815 28.1465 174.3861 8 P 4.6993 0.0000 0.0000 62.7762 31.4612 175.7053 9 L 4.7946 8.2013 121.9668 52.1619 44.7234 175.6219 10 E 4.0620 8.3520 121.5989 57.5506 30.2574 177.0137 11 N 4.7285 10.0947 124.0960 54.0632 39.7982 174.6924 12 L 4.4899 7.6431 116.5379 54.9720 41.4111 174.6462 13 G 4.3154 8.0651 111.5530 44.0648 0.0000 170.1004 14 D 4.9844 7.9196 119.9557 54.4051 38.4182 175.7031 15 V 3.3108 7.9316 116.9881 58.6512 34.5303 176.4472 16 G 3.8683 7.9835 108.7245 47.0688 0.0000 171.2448 17 Q 4.8977 7.2795 121.6334 54.1754 33.5255 174.0387 18 V 4.9725 8.2702 117.9415 61.4154 34.0672 175.9752 19 V 4.7005 8.5470 126.6676 60.1024 34.9794 174.0771 20 D 5.4752 8.5334 122.0169 52.5458 41.1792 175.3922 21 V 4.4994 7.9290 111.8446 60.5224 36.4622 173.2412 22 K 4.2361 8.8181 121.4123 55.9994 32.7741 177.0057 23 P 4.3150 0.0000 0.0000 65.8217 31.2420 178.2798 24 G 3.6940 8.2562 104.0825 48.0891 0.0000 174.4385 25 Y 4.5525 8.1388 121.5855 60.8388 38.7925 178.2339 26 A 4.0399 8.1463 121.1530 54.5513 18.5221 179.0504 27 R 4.1568 8.7166 118.1269 58.6018 30.2806 177.1117 28 N 4.8892 8.4487 113.8484 53.7406 40.8052 173.9708 29 Y 4.7589 7.5703 115.3137 59.0454 40.8725 176.9895 30 L 3.5873 8.3813 119.1582 57.9516 41.7653 179.3596 31 L 3.8880 8.1518 119.7737 57.8940 42.1827 177.2945 32 P 4.4212 0.0000 0.0000 65.3696 31.6282 178.1125 33 R 4.0498 8.2722 115.5572 59.1630 30.6517 177.4513 34 G 3.8431 7.4974 102.3143 47.0453 0.0000 174.5538 35 L 4.7025 7.3730 116.4393 53.6199 44.3708 177.5744 36 A 4.3525 7.5480 119.5338 52.3448 21.9230 175.5575 37 V 4.4452 8.5542 117.4133 61.3221 35.6235 173.6019 38 L 4.3089 8.7310 124.2371 55.0901 42.2577 178.3945 39 A 3.9570 9.3618 124.6783 55.1705 18.6192 178.1830 40 T 3.7304 7.6291 105.6802 59.9470 66.7489 173.6700 41 E 3.8906 9.0754 128.1423 60.4657 29.2888 178.2745 42 S 4.1190 8.3126 112.2171 61.3511 61.9766 174.9513 43 N 4.3544 8.0950 119.8374 55.1766 38.6679 176.9737 44 L 4.0535 8.0813 122.8943 57.5916 42.4866 178.4244 45 K 3.8822 9.1862 119.9129 59.4313 31.9814 178.4375 46 A 3.9771 7.9962 120.0831 55.1223 18.2088 179.0588 47 L 3.9890 7.7209 118.3023 58.5129 42.3265 178.6231 48 E 3.8899 8.2961 119.2425 59.4549 29.7637 178.5266 49 A 4.3147 8.0496 118.5608 53.0744 18.4823 178.2231 50 R 4.2013 8.8714 117.2262 56.9612 30.1316 176.6629 51 I 4.2567 7.3646 117.7899 63.8583 38.2709 178.0161 52 R 3.8606 7.8999 115.1871 58.6050 29.5752 177.3362 53 A 4.8727 7.7366 120.6523 51.9481 18.9291 177.1806 54 Q 4.3164 7.7649 118.4572 57.8709 33.2100 176.7357 55 A 4.0220 9.4144 120.7918 54.7807 18.1499 178.8678 56 K 4.3661 7.2564 113.0169 57.3845 33.2205 177.8915 57 R 4.1216 7.6347 120.0061 58.5059 30.5408 176.8445 58 L 4.3810 8.2927 119.5668 55.9536 42.4924 177.6153 59 A 4.5330 7.7324 121.6053 52.3504 18.0119 177.6610 60 E 4.5519 8.9809 121.9878 57.8849 31.6835 177.0342 61 R 4.3135 7.9182 114.9144 56.5179 30.3515 176.4735 62 K 4.4800 7.8312 117.4356 56.5346 34.7091 176.8699 63 A 4.1670 7.9271 121.3836 54.2671 19.0251 177.6314 64 E 4.5653 7.9508 115.7480 56.0221 29.6902 176.5672 65 A 4.5297 7.4767 119.5557 51.9299 21.3827 178.3841 66 E 4.1913 7.8555 113.7591 58.2716 29.9894 178.8409 67 R 4.0751 7.8564 116.5097 57.5768 30.9485 176.8427 68 L 4.3345 7.5574 117.9036 55.2302 43.0684 177.9132 69 K 3.9986 7.8848 119.5657 59.7295 32.3917 178.7197 70 E 4.5531 7.7059 113.6470 56.7468 28.6051 177.0398 71 I 4.5948 8.2402 112.6962 62.6145 40.8569 177.2387 72 L 4.2043 7.9143 120.7623 55.6201 41.3565 178.2173 73 E 4.1733 7.2681 120.2248 57.9701 29.8057 178.4533 74 N 4.2028 7.7174 118.4699 54.7831 39.1947 174.0521 75 L 3.8907 7.9981 133.6988 55.2501 42.7457 177.8011 76 T 4.6876 8.0524 123.3130 61.0826 69.6121 174.0898 77 L 4.4088 8.1801 116.4412 56.2631 44.0637 175.9872 78 T 3.4105 7.7658 116.2111 64.0682 65.1218 170.0764 79 I 4.2329 8.7200 125.5064 59.6298 38.4276 175.2492 80 P 4.3632 0.0000 0.0000 63.9564 30.7660 177.4067 81 V 3.3575 6.7871 119.3972 62.2929 29.3032 175.0279 82 R 4.2529 8.3057 127.5925 56.3722 28.0812 175.8219 83 A 5.1020 8.1625 126.0529 52.9023 21.4360 176.6047 84 G 4.9625 8.8993 105.9625 46.7255 0.0000 174.2307 85 E 3.9439 8.5939 131.2928 56.9953 27.2578 179.5034 86 T 4.1499 8.8431 123.0687 63.4110 67.6091 173.1798 87 K 3.6604 8.6126 127.9824 57.5386 31.5491 177.0415 88 I 3.2084 7.0456 127.6342 61.7356 37.1977 174.9380 89 Y 4.4459 7.7569 116.8986 58.8893 39.0164 177.6038 90 G 3.9847 7.7640 116.0734 43.3888 0.0000 172.1807 91 S 3.9846 7.7773 119.4410 56.9789 64.9184 176.5991 92 V 3.9856 7.9875 124.1889 60.6772 30.0037 175.9380 93 T 4.0306 8.6193 117.0597 61.8265 69.9435 176.6585 94 A 4.2442 8.4349 125.5876 54.2412 18.5019 179.2964 95 K 4.2332 7.4016 114.7723 57.8388 32.4183 177.2862 96 D 5.0290 8.4643 117.8831 54.4801 43.4202 178.2405 97 I 3.6266 7.8338 118.1160 64.5459 37.4044 178.0831 98 A 4.0959 8.2487 121.6827 54.7576 16.7166 179.0421 99 E 3.6676 8.1632 116.9710 57.8906 29.5122 177.3109 100 A 4.7269 7.7520 121.2395 51.7112 19.7455 176.4426 101 L 4.4911 7.5419 119.7603 58.3393 45.2759 178.2189 102 S 4.8180 8.8703 113.0596 61.1499 63.1044 175.2766 103 R 4.5023 7.1071 117.3553 54.2591 28.9815 174.8026 104 Q 4.6531 7.4737 123.3236 57.1911 36.0422 174.0268 105 H 4.8164 8.6529 111.4224 54.5888 29.8256 173.9830 106 G 3.9364 8.0515 107.1240 47.0202 0.0000 174.0827 107 V 4.4692 7.3339 116.8424 60.3158 34.6683 174.4501 108 T 4.2106 8.5789 122.5972 63.7616 68.7086 173.7377 109 I 4.8058 8.2461 118.7918 58.2779 40.5180 175.1515 110 D 4.9263 8.3139 120.5549 51.3895 41.3544 172.8759 111 P 4.4571 0.0000 0.0000 61.3876 30.9749 175.4708 112 K 4.1342 9.2144 127.4001 58.4186 40.0423 178.4530 113 R 4.7269 8.6735 119.3725 56.6437 29.1188 178.1509 114 L 4.1169 7.9110 116.2273 54.2136 43.9758 177.9341 115 A 3.8125 7.6662 119.9512 51.6367 17.0305 177.2269 116 L 4.2246 7.5520 119.9298 55.1727 42.5758 175.9524 117 E 4.3977 8.7233 124.0101 57.6692 31.1663 176.3486 118 K 4.5891 7.3953 116.6665 53.7393 36.2570 174.8985 119 P 4.0951 0.0000 0.0000 63.3935 30.9765 176.8047 120 I 3.1626 7.7769 119.2097 58.2843 36.5183 172.8945 121 K 3.6931 8.6708 123.2854 56.8931 30.2318 175.6337 122 E 4.8037 7.3741 114.2507 55.2860 32.4477 174.5739 123 L 4.2366 8.2743 127.6555 54.7216 41.4022 176.7093 124 G 3.9869 7.7929 112.2329 46.7610 0.0000 171.4595 125 E 4.6074 7.5309 120.8897 54.6756 33.8828 174.9103 126 Y 5.0884 8.1665 119.8469 56.9068 42.7236 175.3047 127 V 4.7051 7.9204 118.8380 61.9521 32.0228 173.2253 128 L 4.4976 7.6171 124.4477 54.2997 44.0963 176.1809 129 T 5.0720 8.1405 113.5205 60.4279 70.9151 172.2697 130 Y 4.4739 8.6243 126.9434 56.9533 39.6399 174.9172 131 K 4.6942 8.7412 126.4986 53.7823 33.5576 176.5260 132 P 4.7950 0.0000 0.0000 63.5314 31.2145 176.4958 133 H 4.2885 8.1038 117.7078 54.2835 32.4776 174.1499 134 P 4.2349 0.0000 0.0000 63.1939 31.6673 174.9023 135 E 4.9893 8.8917 120.9693 53.4026 33.6774 175.3884 136 V 4.3366 8.3852 123.6764 59.6824 32.8453 173.2655 137 P 5.4125 0.0000 0.0000 61.1194 31.0668 175.4215 138 I 4.2422 8.1063 127.0174 61.1498 37.9389 175.4566 139 Q 4.2786 8.3332 127.1229 55.3907 29.7780 173.9151 140 L 4.7890 8.5347 129.1484 53.4394 44.3289 175.2181 141 K 5.4467 8.5792 124.3953 54.0295 35.2627 175.0378 142 V 4.6969 7.8220 120.3564 61.4666 33.9374 174.5274 143 S 4.8874 8.6305 120.3404 56.7769 65.8884 172.6087 144 V 4.4293 7.8270 118.2460 62.2789 34.4308 176.4465 145 V 3.1959 8.4637 127.3339 61.9253 31.5887 171.6690 *146 A 4.1219 8.3264 122.5059 52.3871 18.7144 176.4676 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 1 M 8.16 4.50 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 2 K 8.50 4.43 0.00 1.76 1.74 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 V 9.09 4.67 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 0.81 0.00 0.00 1.01 0.00 0.00 4 I 8.59 5.16 1.85 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 1.23 1.07 0.93 0.00 0.00 5 L 7.85 5.01 0.00 1.47 1.56 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.57 4.23 0.00 1.53 0.58 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.06 3.79 0.00 1.89 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 2.30 2.40 0.00 8 P 0.00 4.70 0.00 2.17 2.20 0.00 3.31 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 9 L 8.20 4.79 0.00 1.88 1.61 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.35 4.06 0.00 2.00 1.85 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 2.40 2.27 0.00 11 N 10.09 4.73 0.00 2.95 3.04 0.00 0.00 6.95 7.50 0.00 0.00 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 L 7.64 4.49 0.00 1.76 1.64 0.93 0.54 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 13 G 8.07 4.32 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 0.00 0.00 0.00 14 D 7.92 4.98 0.00 3.09 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 15 V 7.93 3.31 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 0.78 0.00 0.00 0.92 0.00 0.00 16 G 7.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.28 4.90 0.00 2.63 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 18 V 8.27 4.97 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 0.92 0.00 0.00 19 V 8.55 4.70 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 0.76 0.00 0.00 0.94 0.00 0.00 20 D 8.53 5.48 0.00 2.78 2.71 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 21 V 7.93 4.50 2.22 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 0.67 0.00 0.00 1.02 0.00 0.00 22 K 8.82 4.24 0.00 1.88 1.77 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.50 7.81 23 P 0.00 4.31 0.00 2.18 2.13 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 24 G 8.26 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 0.00 0.00 0.00 25 Y 8.14 4.55 0.00 3.01 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 26 A 8.15 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 27 R 8.72 4.16 0.00 1.85 2.14 0.00 3.23 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 1.68 1.72 0.00 28 N 8.45 4.89 0.00 2.91 2.89 0.00 0.00 6.73 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 29 Y 7.57 4.76 0.00 3.11 3.29 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 0.00 30 L 8.38 3.59 0.00 1.61 1.50 0.46 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.15 3.89 0.00 1.60 1.73 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.42 0.00 2.13 2.11 0.00 3.91 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 33 R 8.27 4.05 0.00 1.48 1.75 0.00 2.50 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 34 G 7.50 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 35 L 7.37 4.70 0.00 1.40 1.49 0.66 0.58 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 36 A 7.55 4.35 1.10 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 0.00 0.00 37 V 8.55 4.45 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 0.94 0.00 0.00 0.90 0.00 0.00 38 L 8.73 4.31 0.00 1.67 1.60 0.91 0.92 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 39 A 9.36 3.96 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 40 T 7.63 3.73 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 1.21 0.00 0.00 41 E 9.08 3.89 0.00 2.02 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 2.41 2.40 0.00 42 S 8.31 4.12 0.00 3.88 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 43 N 8.09 4.35 0.00 2.80 2.85 0.00 0.00 6.83 6.62 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 44 L 8.08 4.05 0.00 1.97 1.78 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 K 9.19 3.88 0.00 1.86 1.82 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 46 A 8.00 3.98 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 47 L 7.72 3.99 0.00 1.80 1.89 0.91 0.75 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 48 E 8.30 3.89 0.00 2.13 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 2.31 2.52 0.00 49 A 8.05 4.31 1.32 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 0.00 0.00 50 R 8.87 4.20 0.00 1.82 2.04 0.00 3.22 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 51 I 7.36 4.26 2.13 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 1.57 1.04 0.90 0.00 0.00 52 R 7.90 3.86 0.00 1.98 2.19 0.00 2.96 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.62 0.00 53 A 7.74 4.87 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 54 Q 7.76 4.32 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 55 A 9.41 4.02 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 56 K 7.26 4.37 0.00 1.94 1.91 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.42 7.81 57 R 7.63 4.12 0.00 1.86 2.05 0.00 3.21 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 58 L 8.29 4.38 0.00 1.70 1.72 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.73 4.53 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 60 E 8.98 4.55 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 61 R 7.92 4.31 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 62 K 7.83 4.48 0.00 1.71 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.38 7.81 63 A 7.93 4.17 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 64 E 7.95 4.57 0.00 2.13 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 2.25 2.36 0.00 65 A 7.48 4.53 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 66 E 7.86 4.19 0.00 2.21 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 2.29 2.41 0.00 67 R 7.86 4.08 0.00 2.05 1.96 0.00 3.29 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 68 L 7.56 4.33 0.00 1.58 1.51 0.66 0.04 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 69 K 7.88 4.00 0.00 2.02 1.72 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.41 7.81 70 E 7.71 4.55 0.00 2.00 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 2.67 2.39 0.00 71 I 8.24 4.59 1.89 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 1.39 0.95 0.99 0.00 0.00 72 L 7.91 4.20 0.00 2.06 1.88 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.27 4.17 0.00 2.32 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 2.32 2.34 0.00 74 N 7.72 4.20 0.00 2.75 2.70 0.00 0.00 6.78 7.85 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 75 L 8.00 3.89 0.00 1.62 1.91 1.01 1.03 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 76 T 8.05 4.69 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 77 L 8.18 4.41 0.00 1.63 1.68 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.77 3.41 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 1.22 0.00 0.00 79 I 8.72 4.23 1.90 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 1.56 1.25 0.95 0.00 0.00 80 P 0.00 4.36 0.00 2.05 2.08 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 2.03 2.08 0.00 81 V 6.79 3.36 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 0.79 0.00 0.00 0.96 0.00 0.00 82 R 8.31 4.25 0.00 1.83 1.91 0.00 3.23 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 83 A 8.16 5.10 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 84 G 8.90 4.96 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 85 E 8.59 3.94 0.00 2.18 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 2.19 2.27 0.00 86 T 8.84 4.15 4.18 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 1.18 0.00 0.00 87 K 8.61 3.66 0.00 1.63 1.70 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.44 7.81 88 I 7.05 3.21 1.90 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 1.19 0.76 0.88 0.00 0.00 89 Y 7.76 4.45 0.00 2.98 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 90 G 7.76 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 0.00 0.00 0.00 91 S 7.78 3.98 0.00 4.02 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 92 V 7.99 3.99 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 0.64 0.00 0.00 0.89 0.00 0.00 93 T 8.62 4.03 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 1.19 0.00 0.00 94 A 8.43 4.24 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 95 K 7.40 4.23 0.00 1.79 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 96 D 8.46 5.03 0.00 2.62 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 97 I 7.83 3.63 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.56 0.84 0.00 0.00 98 A 8.25 4.10 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 99 E 8.16 3.67 0.00 2.16 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 0.00 2.37 2.37 0.00 100 A 7.75 4.73 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 0.00 101 L 7.54 4.49 0.00 1.75 1.70 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.87 4.82 0.00 3.90 3.97 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 0.00 0.00 0.00 103 R 7.11 4.50 0.00 2.06 1.90 0.00 3.25 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 104 Q 7.47 4.65 0.00 1.90 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 105 H 8.65 4.82 0.00 3.20 3.27 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.05 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 0.00 107 V 7.33 4.47 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 1.18 0.00 0.00 1.02 0.00 0.00 108 T 8.58 4.21 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 1.24 0.00 0.00 109 I 8.25 4.81 1.88 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 1.44 1.38 1.09 0.00 0.00 110 D 8.31 4.93 0.00 2.87 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 0.00 111 P 0.00 4.46 0.00 2.20 2.11 0.00 3.96 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 112 K 9.21 4.13 0.00 1.96 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.26 7.81 113 R 8.67 4.73 0.00 2.00 2.20 0.00 3.29 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 114 L 7.91 4.12 0.00 1.46 1.41 0.77 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.67 3.81 1.43 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 0.00 116 L 7.55 4.22 0.00 1.51 1.53 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.72 4.40 0.00 2.08 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 2.15 2.26 0.00 118 K 7.40 4.59 0.00 1.74 1.63 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.40 7.81 119 P 0.00 4.10 0.00 2.17 2.26 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 120 I 7.78 3.16 1.72 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.14 0.86 0.00 0.00 121 K 8.67 3.69 0.00 1.86 1.88 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.37 7.81 122 E 7.37 4.80 0.00 1.90 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 2.01 2.08 0.00 123 L 8.27 4.24 0.00 1.73 1.54 1.00 1.03 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 0.00 124 G 7.79 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 0.00 125 E 7.53 4.61 0.00 1.62 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 2.12 2.14 0.00 126 Y 8.17 5.09 0.00 3.00 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 0.00 127 V 7.92 4.71 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 0.81 0.00 0.00 0.95 0.00 0.00 128 L 7.62 4.50 0.00 1.66 1.56 0.90 0.50 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 0.00 129 T 8.14 5.07 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 1.34 0.00 0.00 130 Y 8.62 4.47 0.00 3.38 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 0.00 131 K 8.74 4.69 0.00 1.77 1.76 0.00 1.72 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.30 7.81 132 P 0.00 4.79 0.00 2.15 1.61 0.00 3.78 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 2.01 2.10 0.00 133 H 8.10 4.29 0.00 3.33 3.20 0.00 5.57 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.23 0.00 2.00 2.05 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 135 E 8.89 4.99 0.00 1.89 1.88 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 2.50 2.45 0.00 136 V 8.39 4.34 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 0.86 0.00 0.00 1.07 0.00 0.00 137 P 0.00 5.41 0.00 2.12 2.17 0.00 3.61 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.85 0.00 138 I 8.11 4.24 1.85 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 1.66 0.92 0.00 0.00 139 Q 8.33 4.28 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 140 L 8.53 4.79 0.00 1.85 1.59 0.95 0.41 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 0.00 141 K 8.58 5.45 0.00 1.73 1.66 0.00 1.94 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.76 1.24 7.81 142 V 7.82 4.70 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 0.80 0.00 0.00 1.20 0.00 0.00 143 S 8.63 4.89 0.00 3.88 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 0.00 144 V 7.83 4.43 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 0.96 0.00 0.00 0.97 0.00 0.00 145 V 8.46 3.20 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 0.80 0.00 0.00 0.95 0.00 0.00 *146 A 8.33 4.12 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 * Residues marked with a * may have inaccurate shift predictions.