NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 E 4.4016 8.3033 121.7401 55.7383 32.0737 174.5692 1 M 5.1470 8.1032 117.5516 53.9304 35.1249 173.7558 2 R 4.7079 9.3069 120.7948 54.5099 34.9436 173.9295 3 I 4.7881 8.4299 123.3455 59.8363 40.4230 174.3310 4 G 4.5970 8.8079 113.8893 45.3101 0.0000 170.8012 5 H 5.4986 8.7008 119.3640 54.4463 33.0817 172.6158 6 G 4.3313 8.9089 111.2026 44.5356 0.0000 171.1550 7 F 5.4126 8.6157 122.6396 56.5301 42.2289 173.0730 8 D 4.7035 8.5138 124.8922 52.2767 45.1422 174.1395 9 V 4.5875 7.9150 121.6029 61.2817 34.7176 173.7421 10 H 4.8989 9.0884 127.5885 54.3115 31.9375 172.7356 11 A 4.4489 8.2184 127.5494 50.6457 19.8447 176.9104 12 F 4.6033 8.0197 121.0650 57.8917 39.1543 175.8974 13 G 3.9928 8.7265 107.5362 45.2881 0.0000 170.9610 *17 P 4.5902 0.0000 0.0000 62.2535 32.6775 176.0005 18 I 4.7915 8.9137 115.3302 59.2048 41.8514 174.0716 19 I 4.9519 8.2349 122.9109 59.6932 40.0640 174.7896 20 I 4.7849 8.6363 128.2130 60.4030 39.5282 176.0329 21 G 4.0882 10.1879 113.9021 46.6084 0.0000 174.8815 22 G 3.8876 9.1162 107.3270 44.7393 0.0000 174.0789 23 V 4.4565 7.7447 121.0115 60.9730 33.4237 175.0615 24 R 4.5650 8.7237 127.6433 56.3386 30.8535 175.9787 25 I 4.6153 9.1596 125.3133 58.6288 40.4727 173.2801 26 P 4.3984 0.0000 0.0000 63.1207 31.8033 174.0137 27 Y 4.6595 8.5618 120.4785 59.2607 41.5297 175.6504 *34 H 4.8556 8.1139 117.9669 55.3280 31.1000 173.1322 35 S 4.6255 7.5538 109.7643 57.0952 65.6009 172.7580 36 D 4.4362 8.7080 118.1606 53.8293 39.5967 177.0898 37 G 3.5844 7.8782 108.3441 46.4088 0.0000 174.3657 38 D 5.1154 7.9007 120.8163 53.3511 40.6008 176.9368 39 V 4.0558 8.3941 122.5223 63.3478 31.6739 178.2031 40 A 3.9295 7.9081 120.1772 55.3440 18.4207 179.6352 41 L 3.9471 8.1177 117.3620 57.8056 41.6242 179.3084 42 H 4.0170 8.3226 118.2020 59.2789 29.9203 177.2526 43 A 4.0113 8.2105 122.7593 54.9733 18.2107 179.2931 44 L 3.8736 8.0955 118.9523 58.5989 42.0924 179.3888 45 T 3.8961 8.0508 115.6429 66.8805 68.3828 176.4776 46 D 4.3412 8.2724 120.4794 57.0788 40.7962 178.8171 47 A 4.1297 7.9716 121.4457 55.1218 17.9887 179.7087 48 L 3.9735 7.9941 117.5393 57.9540 41.6256 179.7948 49 L 4.1341 8.2877 119.2786 57.5365 41.5215 179.6584 50 G 3.6232 8.4193 105.9759 47.9502 0.0000 175.6279 51 A 4.6155 8.0521 123.0101 53.5089 18.3868 178.5118 52 A 3.8076 7.1442 115.3642 50.4699 19.4818 176.5684 53 A 3.7059 7.5169 119.6355 53.7968 16.7390 178.1284 54 L 4.5744 8.2173 116.5603 55.6106 43.6098 178.3151 55 G 3.8719 9.9019 113.3079 45.4889 0.0000 176.2369 56 D 4.5751 8.6501 126.5218 51.0165 42.5353 175.9127 57 I 3.7949 9.0303 119.9463 64.9550 36.7143 178.5901 58 G 3.9069 8.2319 104.1905 48.0433 0.0000 174.9807 59 K 4.0831 8.0741 120.7593 59.1468 32.2714 178.6999 60 L 3.8286 7.3957 118.2647 56.0039 42.8292 177.4282 61 F 5.0355 7.9882 116.0626 55.1200 39.2555 172.4254 62 P 4.6536 0.0000 0.0000 61.9001 32.7370 178.1194 63 D 4.4755 8.6656 118.8524 57.5458 40.8805 178.3289 64 T 3.8795 8.0190 108.3834 64.1566 68.6980 173.5201 65 D 4.6746 7.9030 122.0900 52.4905 41.3334 174.2875 66 P 4.3742 0.0000 0.0000 65.1607 31.9684 178.4354 67 A 3.7799 7.8242 121.0648 54.9584 18.3019 178.3064 68 F 4.5100 8.0956 111.0227 56.6135 39.9067 175.3333 69 K 3.9336 7.5437 120.9795 58.3274 31.8919 177.1134 70 G 3.8741 9.0323 111.4220 45.2298 0.0000 173.0858 71 A 4.0698 8.1067 123.2558 51.7014 19.0671 178.1844 72 D 4.6186 8.3435 121.4037 53.1196 41.8015 177.9057 73 S 4.1531 8.8843 115.9423 61.4039 62.6647 177.3161 74 R 3.9431 7.9754 120.7997 58.9950 29.9759 178.5275 75 E 4.0194 8.6153 118.5820 59.3868 29.3956 179.3961 76 L 3.3849 7.6350 118.6372 57.3141 41.5006 179.2751 77 L 3.9763 8.0117 120.3197 58.3146 41.9821 179.3284 78 R 4.0646 8.1373 117.9897 59.3290 30.0324 178.7343 79 E 4.0168 8.3044 118.8206 59.1545 29.6110 178.6968 80 A 4.0477 8.4754 121.1544 54.8605 18.3847 179.4141 81 W 4.4770 8.6244 127.2842 60.6449 30.9178 178.1324 82 R 3.7541 8.4479 119.0332 59.6282 29.3127 178.8058 83 R 3.9525 7.8377 116.5808 58.9725 30.2248 178.9703 84 I 3.8782 7.5305 119.8579 64.4886 37.1267 178.3344 85 Q 4.1054 7.9756 120.2972 58.2174 28.2320 178.7104 86 A 4.0108 7.5925 119.8365 53.9634 18.4699 178.6675 87 K 4.2813 7.8331 115.5375 56.3029 32.5336 177.4420 88 G 3.7872 7.9618 108.1763 45.0956 0.0000 172.8645 89 Y 4.9980 7.5721 117.1179 56.8218 40.1640 174.6613 90 T 5.0773 8.7783 112.3479 59.5551 72.9035 172.2416 91 L 4.3126 8.8442 123.9608 55.7826 42.4069 174.8075 92 G 3.7874 9.2218 115.9286 47.3839 0.0000 173.4272 93 N 5.2068 8.4616 113.7023 51.5069 41.7551 175.0062 94 V 4.9520 8.8440 113.0423 59.7693 36.1180 174.5560 95 D 4.9361 9.0563 122.1017 52.9682 44.5287 174.0982 96 V 4.7866 9.2555 126.3765 61.3399 34.7872 174.1631 97 T 4.9479 9.1291 124.4816 61.9159 71.4659 173.0060 98 I 4.4303 8.4912 128.1260 60.2796 39.2761 175.2341 99 I 4.9157 8.9067 127.1622 59.7878 39.7149 174.3311 100 A 4.7566 8.5209 128.0540 50.6505 21.7528 176.0696 101 Q 4.0014 8.9028 121.8871 58.5086 29.7057 175.9301 102 A 4.3111 7.1776 116.4949 50.4094 21.5465 173.8980 103 P 4.4882 0.0000 0.0000 61.5211 32.6257 176.1958 104 K 4.2151 8.3407 117.5094 56.9875 32.5896 177.0355 105 M 4.7248 8.4101 119.4355 56.0158 35.1298 177.9571 106 L 3.9437 8.2130 118.4960 57.7169 41.5314 177.7911 107 P 4.2503 0.0000 0.0000 65.1751 31.1051 177.4104 108 H 4.6778 8.0103 113.6704 56.3955 28.9488 177.3894 109 I 3.7254 7.5046 122.4269 63.9319 36.9787 176.1690 110 P 4.1688 0.0000 0.0000 65.7841 30.9994 178.5869 111 Q 3.6056 7.8749 116.1065 59.0809 28.6465 178.4248 112 M 4.3784 7.5006 120.3793 57.8531 31.9370 179.0097 113 R 3.8468 8.0999 118.1199 59.2408 30.2971 178.9693 114 V 3.5219 7.5150 117.8867 66.2814 31.3300 178.0903 115 F 4.5814 8.0948 117.3280 60.7164 38.7049 177.8026 116 I 3.6760 8.3427 119.6398 64.4045 36.8649 178.3730 117 A 3.9425 8.3782 121.9776 55.0380 18.1337 179.4393 118 E 3.9231 8.2684 117.0862 59.9400 29.4389 179.3272 119 D 4.4291 8.2111 117.6900 56.9148 40.9849 178.1074 120 L 3.7800 7.9606 117.0747 53.2143 42.5233 176.4379 121 G 4.0372 8.0698 107.3381 46.9753 0.0000 172.5235 122 C 5.0232 8.1201 111.9809 55.5863 33.1227 173.4115 123 H 4.3845 8.6085 116.4266 55.9116 29.0664 176.9984 124 M 4.1271 8.6185 121.7359 58.4902 32.0968 178.5585 125 D 4.4079 8.2138 117.5834 57.2081 41.1630 176.8768 126 D 4.5947 8.0053 116.8688 54.1422 41.1101 175.4290 127 V 4.5355 7.7297 120.2145 61.0644 33.6419 174.2841 128 N 4.9124 8.8252 127.6716 51.8681 40.9834 173.2081 129 V 4.9108 8.4151 125.9877 61.1091 34.2533 174.4652 130 K 4.8962 9.0992 125.6784 54.6825 36.6953 174.6802 131 A 5.2046 8.2930 121.2085 51.2639 22.4824 175.0820 132 T 4.6769 8.9070 114.6108 61.4881 71.7675 171.7680 133 T 4.9428 8.3238 112.6060 59.7105 72.4524 173.6307 134 T 4.3751 8.2542 108.4509 60.9207 69.4081 174.4977 135 E 3.5769 8.9075 118.6826 58.2555 27.3852 175.9229 136 K 4.2695 8.3337 113.3745 57.2239 31.2445 176.9185 137 L 4.4421 7.7206 119.6426 54.1072 43.4959 177.9300 138 G 4.2807 8.4761 110.8921 44.8487 0.0000 174.2363 139 F 4.3404 8.4420 113.2038 60.0349 37.7170 177.5437 140 T 4.0879 6.1821 111.4016 64.0332 68.2920 176.6816 141 G 3.6429 7.7835 108.2056 47.2802 0.0000 174.9355 142 R 4.4873 7.9675 117.3601 55.8476 30.3071 177.2947 143 G 4.1488 7.8507 107.0009 46.1964 0.0000 174.9283 144 E 4.2515 8.5888 121.8907 58.4800 29.5420 176.5563 145 G 3.5691 7.0159 102.8831 45.8389 0.0000 171.5855 146 I 4.9319 7.7834 118.8819 59.1012 41.5247 175.0536 147 A 5.1777 8.7964 129.5704 50.5271 23.0066 174.3544 148 C 5.0626 8.3388 117.8744 58.3786 35.6645 172.4344 149 E 5.3497 9.3581 125.2739 54.6773 32.2543 174.9187 150 A 5.2395 9.1455 124.6103 50.4654 23.2639 175.2608 151 V 5.0891 8.9323 112.0658 59.6932 36.3831 174.7306 152 A 5.0728 8.8380 123.9554 50.1982 23.2340 174.6851 153 L 5.2203 8.8614 121.8239 53.3081 45.1263 175.5219 154 L 5.2998 9.2140 125.8722 53.1500 45.5425 175.1589 155 I 4.9098 8.6897 121.8658 59.6120 39.5077 175.9814 156 K 4.0301 8.8834 127.9137 56.3922 31.7072 175.6875 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 0 E 8.30 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 2.37 2.36 0.00 1 M 8.10 5.15 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 2 R 9.31 4.71 0.00 1.65 1.89 0.00 3.36 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.01 0.00 3 I 8.43 4.79 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 1.29 1.31 0.92 0.00 0.00 4 G 8.81 4.60 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 0.00 0.00 0.00 5 H 8.70 5.50 0.00 3.13 3.14 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.91 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 0.00 0.00 0.00 0.00 7 F 8.62 5.41 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.51 4.70 0.00 2.63 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 0.00 0.00 0.00 0.00 9 V 7.92 4.59 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 0.74 0.00 0.00 0.90 0.00 0.00 10 H 9.09 4.90 0.00 3.18 3.04 0.00 5.82 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 11 A 8.22 4.45 1.09 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 0.00 0.00 12 F 8.02 4.60 0.00 3.08 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 13 G 8.73 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 P 0.00 4.59 0.00 2.01 2.05 0.00 3.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 18 I 8.91 4.79 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.99 1.09 0.00 0.00 19 I 8.23 4.95 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.02 0.92 0.00 0.00 20 I 8.64 4.78 1.88 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 1.24 1.03 0.92 0.00 0.00 21 G 10.19 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.12 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 0.00 0.00 0.00 23 V 7.74 4.46 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 1.07 0.00 0.00 1.09 0.00 0.00 24 R 8.72 4.57 0.00 1.76 1.87 0.00 3.20 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 25 I 9.16 4.62 1.84 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 0.89 0.71 0.84 0.00 0.00 26 P 0.00 4.40 0.00 2.09 2.06 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 27 Y 8.56 4.66 0.00 2.67 2.67 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 *34 H 8.11 4.86 0.00 3.23 3.41 0.00 5.71 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 35 S 7.55 4.63 0.00 3.92 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 36 D 8.71 4.44 0.00 2.77 2.80 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 37 G 7.88 3.58 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 0.00 38 D 7.90 5.12 0.00 2.86 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.39 4.06 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 1.12 0.00 0.00 0.88 0.00 0.00 40 A 7.91 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.12 3.95 0.00 1.72 1.71 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.32 4.02 0.00 3.40 3.42 0.00 5.59 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 43 A 8.21 4.01 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 44 L 8.10 3.87 0.00 1.80 1.86 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.05 3.90 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 46 D 8.27 4.34 0.00 2.86 2.74 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 47 A 7.97 4.13 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 48 L 7.99 3.97 0.00 1.92 1.88 0.80 0.35 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 49 L 8.29 4.13 0.00 1.67 1.68 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.42 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 51 A 8.05 4.62 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 52 A 7.14 3.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.52 3.71 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 54 L 8.22 4.57 0.00 1.57 1.61 0.88 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.90 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 56 D 8.65 4.58 0.00 3.09 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 57 I 9.03 3.79 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.52 1.05 0.00 0.00 58 G 8.23 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.07 4.08 0.00 1.85 1.82 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 60 L 7.40 3.83 0.00 1.07 0.13 0.70 0.20 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 61 F 7.99 5.04 0.00 2.94 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 62 P 0.00 4.65 0.00 2.25 2.20 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 63 D 8.67 4.48 0.00 2.72 2.81 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 64 T 8.02 3.88 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 1.23 0.00 0.00 65 D 7.90 4.67 0.00 2.78 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.37 0.00 2.21 2.08 0.00 3.71 0.00 0.00 4.03 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 67 A 7.82 3.78 1.17 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 0.00 0.00 68 F 8.10 4.51 0.00 3.06 2.80 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 69 K 7.54 3.93 0.00 1.92 1.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.65 7.81 70 G 9.03 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 71 A 8.11 4.07 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 72 D 8.34 4.62 0.00 3.06 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 73 S 8.88 4.15 0.00 3.87 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 74 R 7.98 3.94 0.00 1.90 1.89 0.00 2.74 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 75 E 8.62 4.02 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 76 L 7.63 3.38 0.00 1.65 1.38 0.76 -0.28 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 77 L 8.01 3.98 0.00 1.85 1.84 0.90 0.82 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 78 R 8.14 4.06 0.00 1.98 2.07 0.00 3.24 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 79 E 8.30 4.02 0.00 2.21 1.86 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 2.05 2.44 0.00 80 A 8.48 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 W 8.62 4.48 0.00 3.49 3.30 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 82 R 8.45 3.75 0.00 2.15 2.04 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 83 R 7.84 3.95 0.00 1.90 1.92 0.00 3.07 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 84 I 7.53 3.88 1.76 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.82 0.00 0.00 85 Q 7.98 4.11 0.00 1.69 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 1.98 1.16 0.00 86 A 7.59 4.01 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 87 K 7.83 4.28 0.00 2.14 1.97 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.23 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.63 7.81 88 G 7.96 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 0.00 0.00 0.00 89 Y 7.57 5.00 0.00 2.80 2.87 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 90 T 8.78 5.08 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 91 L 8.84 4.31 0.00 1.74 1.69 0.70 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.22 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 0.00 0.00 0.00 93 N 8.46 5.21 0.00 2.83 2.87 0.00 0.00 5.72 7.68 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 94 V 8.84 4.95 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 0.71 0.00 0.00 0.89 0.00 0.00 95 D 9.06 4.94 0.00 2.65 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 9.26 4.79 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 0.99 0.00 0.00 0.91 0.00 0.00 97 T 9.13 4.95 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 1.22 0.00 0.00 98 I 8.49 4.43 1.86 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 1.22 0.73 0.90 0.00 0.00 99 I 8.91 4.92 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.86 0.00 0.00 100 A 8.52 4.76 1.16 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 0.00 0.00 101 Q 8.90 4.00 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 102 A 7.18 4.31 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.49 0.00 2.18 2.10 0.00 3.55 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 104 K 8.34 4.22 0.00 1.79 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.43 7.81 105 M 8.41 4.72 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 106 L 8.21 3.94 0.00 1.65 1.71 0.91 1.09 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 0.00 107 P 0.00 4.25 0.00 1.67 2.00 0.00 3.47 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 108 H 8.01 4.68 0.00 3.26 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.50 3.73 1.97 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 1.52 0.80 0.94 0.00 0.00 110 P 0.00 4.17 0.00 2.08 2.06 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 111 Q 7.87 3.61 0.00 2.17 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 112 M 7.50 4.38 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.81 0.00 113 R 8.10 3.85 0.00 1.96 1.94 0.00 3.12 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 114 V 7.52 3.52 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 0.91 0.00 0.00 0.86 0.00 0.00 115 F 8.09 4.58 0.00 3.22 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.34 3.68 2.02 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 1.45 0.72 0.83 0.00 0.00 117 A 8.38 3.94 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 0.00 118 E 8.27 3.92 0.00 2.43 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 119 D 8.21 4.43 0.00 2.74 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 0.00 120 L 7.96 3.78 0.00 1.31 1.01 0.57 -0.22 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 0.00 121 G 8.07 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 0.00 122 C 8.12 5.02 0.00 3.03 2.87 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 0.00 123 H 8.61 4.38 0.00 3.24 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.62 4.13 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 125 D 8.21 4.41 0.00 2.69 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 0.00 126 D 8.01 4.59 0.00 2.79 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 0.00 127 V 7.73 4.54 2.05 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 0.71 0.00 0.00 0.87 0.00 0.00 128 N 8.83 4.91 0.00 2.88 2.71 0.00 0.00 6.18 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 0.00 129 V 8.42 4.91 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 0.88 0.00 0.00 0.92 0.00 0.00 130 K 9.10 4.90 0.00 1.69 1.64 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.35 7.81 131 A 8.29 5.20 1.16 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 0.00 0.00 132 T 8.91 4.68 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 1.20 0.00 0.00 133 T 8.32 4.94 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 134 T 8.25 4.38 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 1.11 0.00 0.00 135 E 8.91 3.58 0.00 2.08 2.00 0.00 0.00 0.00 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 2.24 0.00 136 K 8.33 4.27 0.00 1.95 2.01 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.51 7.81 137 L 7.72 4.44 0.00 1.78 1.55 0.91 0.95 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 0.00 138 G 8.48 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 0.00 139 F 8.44 4.34 0.00 3.36 3.34 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 0.00 140 T 6.18 4.09 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 0.61 0.00 0.00 141 G 7.78 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.97 4.49 0.00 1.89 2.05 0.00 3.27 0.00 0.00 3.27 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 143 G 7.85 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.59 4.25 0.00 2.47 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 145 G 7.02 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.78 4.93 1.83 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 1.11 1.86 0.90 0.00 0.00 147 A 8.80 5.18 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 148 C 8.34 5.06 0.00 2.91 2.70 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 0.00 149 E 9.36 5.35 0.00 1.97 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 2.59 2.51 0.00 150 A 9.15 5.24 1.21 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 0.00 0.00 151 V 8.93 5.09 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 0.77 0.00 0.00 1.00 0.00 0.00 152 A 8.84 5.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.86 5.22 0.00 1.75 1.50 0.99 0.55 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 0.00 154 L 9.21 5.30 0.00 1.59 1.69 0.67 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.69 4.91 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.77 0.95 0.00 0.00 156 K 8.88 4.03 0.00 1.85 1.67 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.08 0.60 7.81 * Residues marked with a * may have inaccurate shift predictions.