NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9991 8.3549 109.7421 45.6838 0.0000 172.8685 5 S 4.3897 8.5970 113.6897 59.9180 63.5986 174.7794 6 R 3.9221 8.3875 120.6107 59.4687 30.8509 177.4664 7 R 3.6478 7.9980 116.5562 59.1124 29.8543 176.2693 8 Y 4.4700 8.1017 112.6665 57.5255 38.1091 174.7360 9 D 4.6184 7.8066 121.3158 53.4916 41.2193 176.6726 10 S 4.1358 8.7242 123.3200 59.5500 63.9784 174.1530 11 R 3.7969 8.5955 120.1135 57.1994 26.8737 177.1050 12 T 4.1717 7.7797 106.6282 63.4173 69.7921 175.3051 13 T 4.5873 7.2988 111.5133 61.4129 67.5006 173.0956 14 I 4.4852 7.3612 113.6103 59.7135 41.0012 174.7221 15 F 4.7745 8.4135 119.6642 56.8736 39.8945 175.9882 16 S 4.5651 8.3230 118.2253 55.6066 64.2303 173.5715 17 P 4.3046 0.0000 0.0000 65.1100 31.0130 177.3661 18 E 4.2355 8.1072 115.6539 55.9389 29.7308 176.1544 19 G 3.6156 8.2546 107.3660 46.6994 0.0000 173.8368 20 R 4.6047 7.7662 117.0582 53.8002 33.2052 175.7762 21 L 4.6224 8.0569 120.4351 54.1829 41.8521 177.0714 22 Y 3.5701 7.3495 119.7696 61.6214 37.7558 178.9252 23 Q 3.9841 7.9839 117.8563 59.1164 28.9108 179.4501 24 V 3.5555 7.5941 118.5216 66.0868 31.7037 177.6819 25 E 3.9751 8.0729 118.2548 59.8720 29.3204 179.1154 26 Y 4.5060 8.2346 116.6761 60.7733 37.8128 178.1659 27 A 4.0698 8.3581 122.4040 55.0998 18.5285 179.5986 28 L 3.9193 8.3281 117.9490 57.8670 41.4451 179.2876 29 E 3.9354 7.9462 118.3490 59.3501 29.8944 178.4885 30 S 4.3116 8.0900 113.0783 61.6413 62.4078 176.2920 31 I 3.7874 8.0259 122.8902 64.0845 36.6125 178.0954 32 S 4.2477 8.0015 113.5213 60.3228 62.7738 174.4215 33 H 4.7338 7.6480 117.8358 55.4916 29.1865 174.4122 34 A 4.4303 7.9954 123.7086 50.6185 19.6012 177.7184 35 G 4.0438 8.5595 107.3618 46.3416 0.0000 173.5234 36 T 4.2964 8.6880 120.3705 63.5345 69.8397 173.0847 37 A 5.1823 8.5069 125.8756 50.2330 22.2176 175.3431 38 I 4.6214 9.5846 122.8646 59.3324 41.2860 174.8412 39 G 4.5013 8.6999 111.8734 44.5299 0.0000 172.0074 40 I 4.7273 8.7932 125.2377 59.7429 41.1650 173.8273 41 M 4.7849 8.8579 126.9071 53.9928 33.4136 175.0739 42 A 4.7838 9.0035 129.4078 49.8920 21.8595 176.4464 43 S 4.3196 8.6446 113.6561 60.7294 63.1062 174.9051 44 D 4.8734 9.2973 119.2403 50.3905 39.6824 176.1083 45 G 4.2113 6.9610 107.6613 45.5918 0.0000 171.6698 46 I 5.0974 7.6110 119.3464 59.3462 40.9701 175.5031 47 V 4.4750 8.9680 125.3229 61.0439 34.2981 174.1433 48 L 5.3261 8.6126 126.4991 52.9320 44.4102 175.7135 49 A 4.8394 9.0482 124.5421 50.2629 22.6444 174.5997 50 A 4.9017 8.4676 121.7457 50.3496 22.7612 174.8096 51 E 4.4733 9.1917 121.8216 54.5116 31.5239 175.6485 52 R 4.1592 8.5371 126.6655 55.7169 30.6019 176.0287 53 K 4.0201 8.6045 125.0187 56.5526 32.9569 172.8205 54 V 3.2305 8.6020 131.9686 62.6772 32.4140 171.3721 55 T 4.7000 8.0675 114.5941 60.5579 71.7086 172.2563 56 S 4.7291 8.1200 115.1447 56.5682 65.9205 174.8739 57 T 3.8939 8.5141 120.0030 66.6064 68.2118 175.9781 58 L 4.2047 7.5392 119.0944 55.6879 42.0855 177.1820 59 L 3.8990 7.2342 121.7514 55.0377 42.1573 176.5155 60 E 4.2786 8.5391 126.7943 55.0062 28.8065 176.1884 61 Q 4.2188 8.4174 128.3121 58.6529 29.7115 177.9050 62 D 4.3561 8.2122 116.9568 57.2846 40.8702 177.1599 63 T 4.3191 7.2272 112.9610 63.4258 69.0009 174.7277 63A S 4.5297 7.4264 116.5334 57.8274 63.4688 173.7885 64 T 4.1416 7.7979 118.6649 63.2255 71.3852 173.1076 65 E 4.8397 8.6858 122.1618 55.5497 31.4861 175.9546 66 K 4.6462 7.7221 116.3242 56.0898 36.2737 175.5471 67 L 5.1308 7.6802 119.3149 53.0759 43.5504 175.7524 68 Y 4.7911 8.8322 121.4772 55.8570 41.9214 174.9045 69 K 4.5158 8.8316 124.5922 55.7816 33.1844 176.0395 70 L 4.3708 8.6091 125.9027 56.0736 42.7370 175.3276 71 N 5.0108 7.9505 113.9208 52.3100 42.0356 173.0112 72 D 4.6616 8.6398 116.6010 55.3201 41.4593 177.0921 73 K 4.7309 7.9281 116.7392 55.8723 34.7050 175.5239 74 I 5.2972 7.6530 120.4831 59.6283 41.6564 174.0088 75 A 5.1902 9.2554 126.4777 50.7188 23.3292 175.2134 76 V 4.9451 8.8429 111.0261 59.5740 36.4986 174.5907 77 A 5.2746 8.9082 124.8258 50.3178 21.4429 175.6761 78 V 4.7059 8.9701 122.3975 61.2344 33.9014 175.4484 79 A 4.3246 9.2473 128.0036 53.1666 21.4469 174.7307 80 G 3.7139 8.4966 112.3594 45.5401 0.0000 171.9014 81 L 4.1135 8.3823 125.0595 54.8475 41.8685 177.8380 82 T 3.8575 8.8507 121.4944 66.7464 68.1287 176.2532 83 A 3.9972 8.0032 121.9624 55.2793 18.3501 179.2750 84 D 4.4311 8.1043 116.6258 57.4004 40.9956 178.4552 85 A 3.9653 8.1425 121.4239 55.4947 18.3367 179.5160 86 E 3.7618 8.3410 117.0399 59.4034 29.3247 179.7380 87 I 3.6814 7.4442 119.5164 64.5049 37.1676 178.5055 88 L 3.8253 7.5378 119.3684 57.6723 41.3149 179.6327 89 I 3.4885 8.0944 120.2661 64.2514 37.1160 177.9669 90 N 4.2714 8.2575 118.2097 56.9417 38.7473 177.0880 91 T 3.9458 7.7758 110.7384 64.5194 68.8618 176.5654 92 A 3.9526 8.1994 123.9596 55.1277 18.0145 179.7782 93 R 3.9134 8.3364 116.9454 59.4185 30.0549 179.4378 94 I 3.8135 7.6159 119.3238 64.4759 37.1738 177.8379 95 H 4.2533 8.5687 119.1338 59.0701 29.6521 177.1249 96 A 3.9573 8.0078 122.6425 55.4654 18.1882 179.7432 97 Q 4.0306 7.8637 115.9705 58.9834 28.7316 178.7246 98 N 4.3385 8.3187 117.8022 56.3294 38.4950 176.7561 99 Y 3.9416 8.1397 120.8973 60.5837 38.8556 177.7809 100 L 4.4099 8.1612 122.5862 57.7051 41.9942 178.9280 101 K 3.9205 8.1849 118.5765 59.6076 32.1375 178.7532 102 T 3.7430 7.6631 115.3439 66.0909 68.5114 175.6549 103 Y 4.5124 7.5740 115.0322 56.4473 39.2348 175.3285 104 N 4.4069 8.5685 116.5718 53.7943 36.8584 173.9576 105 E 4.8367 7.8650 114.7165 54.6211 33.9228 175.0420 106 D 4.5583 8.6220 122.2797 54.0180 41.5818 176.2449 107 I 2.7838 8.0987 123.2152 59.7498 38.5499 174.6185 108 P 4.1844 0.0000 0.0000 62.3701 33.0340 177.3131 109 V 3.4797 8.3444 121.7015 66.3441 31.4636 178.3141 110 E 3.7698 7.9415 118.2343 59.0964 29.5392 178.3488 111 I 3.5784 7.6001 119.4475 64.5069 37.2296 177.9197 112 L 3.9328 7.4051 120.8990 58.1005 41.9076 179.1742 113 V 2.9772 7.4182 118.2837 65.6362 31.3337 178.0336 114 R 3.8304 8.3813 118.9315 59.1688 29.9142 178.5087 115 R 3.8325 7.8721 118.4681 59.5333 30.2675 178.5290 116 L 4.0167 7.7624 118.6031 57.9893 41.5005 179.7811 117 S 4.2899 8.2599 115.0317 61.4420 62.7279 176.4412 118 D 4.3870 8.2143 122.0048 57.1011 40.3016 178.7131 119 I 3.7922 7.6417 119.6095 64.3796 37.1509 178.1687 120 K 4.2480 7.9678 118.9155 59.7803 31.9782 179.0929 121 Q 4.1316 8.5586 119.9955 59.0574 28.7983 178.7149 122 G 3.6302 8.1179 106.7838 48.0154 0.0000 174.9661 123 Y 3.9695 7.9001 116.4071 59.5597 37.8776 177.5979 124 T 4.3293 7.7673 116.0542 63.8892 69.3917 174.8915 125 Q 4.4612 7.7467 119.4524 55.9649 30.9510 174.2335 126 H 4.6331 7.7157 110.4480 55.4413 30.5543 173.3579 127 G 3.7852 8.7619 108.5274 44.1362 0.0000 174.9564 128 G 3.9849 7.8205 105.6662 46.2787 0.0000 173.1647 129 L 4.6987 6.9216 118.9431 52.1281 43.8872 176.7946 130 R 4.1253 8.1243 116.7285 55.4502 30.1203 174.7032 131 P 4.5464 0.0000 0.0000 61.8131 32.3809 175.8392 132 F 4.3197 8.4330 118.4993 57.3980 40.0864 177.3972 133 G 4.0307 8.9075 115.0160 44.9179 0.0000 172.7920 134 V 4.8891 7.2624 118.0823 61.4914 35.8609 175.0009 135 S 4.6493 8.4689 121.3429 56.7085 66.6314 173.0733 136 F 5.3891 8.7619 121.6079 55.6693 42.3035 174.6149 137 I 4.5475 8.3392 121.9578 59.8873 39.8798 174.0138 138 Y 5.0743 8.9576 124.7005 56.2449 39.8215 174.9504 139 A 4.7487 9.3019 126.4551 50.2735 21.6319 175.3868 140 G 4.9342 8.5123 108.4155 45.6905 0.0000 170.8557 141 Y 4.9346 8.3441 120.0056 55.9534 41.6796 173.7440 142 D 4.6443 7.4363 124.2565 51.6773 42.7094 174.3799 143 D 4.5379 8.4471 117.2137 53.4428 39.5547 176.4384 144 R 4.0933 8.2485 126.2980 56.7345 30.0360 175.5325 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 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.60 4.39 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.39 3.92 0.00 1.83 1.95 0.00 3.17 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 7 R 8.00 3.65 0.00 1.52 1.15 0.00 2.31 0.00 0.00 2.92 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.35 0.00 8 Y 8.10 4.47 0.00 2.94 2.97 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 9 D 7.81 4.62 0.00 2.68 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 10 S 8.72 4.14 0.00 3.91 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 11 R 8.60 3.80 0.00 2.00 1.95 0.00 3.11 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 12 T 7.78 4.17 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 13 T 7.30 4.59 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 1.20 0.00 0.00 14 I 7.36 4.49 1.95 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 1.64 1.19 0.92 0.00 0.00 15 F 8.41 4.77 0.00 3.09 2.86 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 16 S 8.32 4.57 0.00 3.66 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 17 P 0.00 4.30 0.00 2.09 2.18 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 18 E 8.11 4.24 0.00 1.88 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 2.34 0.00 19 G 8.25 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 20 R 7.77 4.60 0.00 1.69 1.69 0.00 3.06 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 21 L 8.06 4.62 0.00 1.58 1.48 0.82 0.22 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 22 Y 7.35 3.57 0.00 2.79 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.98 3.98 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 24 V 7.59 3.56 2.17 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 1.16 0.00 0.00 0.91 0.00 0.00 25 E 8.07 3.98 0.00 2.01 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 2.47 2.39 0.00 26 Y 8.23 4.51 0.00 2.97 2.94 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 27 A 8.36 4.07 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 28 L 8.33 3.92 0.00 1.90 1.75 0.93 0.80 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 29 E 7.95 3.94 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 30 S 8.09 4.31 0.00 3.99 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 31 I 8.03 3.79 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.94 0.00 0.00 32 S 8.00 4.25 0.00 3.95 3.93 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 33 H 7.65 4.73 0.00 3.28 3.33 0.00 5.65 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 34 A 8.00 4.43 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.56 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 36 T 8.69 4.30 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 37 A 8.51 5.18 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 38 I 9.58 4.62 1.88 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 1.17 0.87 0.92 0.00 0.00 39 G 8.70 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 0.00 0.00 0.00 0.00 40 I 8.79 4.73 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 1.12 0.68 0.92 0.00 0.00 41 M 8.86 4.78 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 42 A 9.00 4.78 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 43 S 8.64 4.32 0.00 4.00 4.02 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 44 D 9.30 4.87 0.00 2.76 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 45 G 6.96 4.21 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 0.00 46 I 7.61 5.10 1.91 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 1.27 0.77 0.97 0.00 0.00 47 V 8.97 4.48 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 0.98 0.00 0.00 0.94 0.00 0.00 48 L 8.61 5.33 0.00 1.52 1.53 0.94 0.76 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 49 A 9.05 4.84 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 50 A 8.47 4.90 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 51 E 9.19 4.47 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 52 R 8.54 4.16 0.00 1.84 1.93 0.00 3.24 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 53 K 8.60 4.02 0.00 1.72 1.71 0.00 2.04 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.60 3.23 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.07 4.70 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56 S 8.12 4.73 0.00 3.80 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 57 T 8.51 3.89 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 58 L 7.54 4.20 0.00 1.57 1.72 0.92 1.28 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 59 L 7.23 3.90 0.00 1.54 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.54 4.28 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 61 Q 8.42 4.22 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.48 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 62 D 8.21 4.36 0.00 2.68 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 63 T 7.23 4.32 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 63A S 7.43 4.53 0.00 4.07 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.80 4.14 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 0.62 0.00 0.00 65 E 8.69 4.84 0.00 2.05 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 2.14 2.29 0.00 66 K 7.72 4.65 0.00 1.64 1.81 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.44 7.81 67 L 7.68 5.13 0.00 1.34 1.47 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.83 4.79 0.00 2.85 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 69 K 8.83 4.52 0.00 1.74 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.47 7.81 70 L 8.61 4.37 0.00 1.80 1.68 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.95 5.01 0.00 2.62 2.84 0.00 0.00 7.27 7.95 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 72 D 8.64 4.66 0.00 2.72 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 73 K 7.93 4.73 0.00 1.71 2.03 0.00 1.68 0.00 0.00 2.09 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 74 I 7.65 5.30 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.97 0.96 0.00 0.00 75 A 9.26 5.19 1.20 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 0.00 0.00 76 V 8.84 4.95 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 0.17 0.00 0.00 0.80 0.00 0.00 77 A 8.91 5.27 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.97 4.71 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 0.73 0.00 0.00 1.28 0.00 0.00 79 A 9.25 4.32 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 80 G 8.50 3.71 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 0.00 0.00 0.00 81 L 8.38 4.11 0.00 1.67 1.64 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.85 3.86 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 1.33 0.00 0.00 83 A 8.00 4.00 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 84 D 8.10 4.43 0.00 2.96 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 85 A 8.14 3.97 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 86 E 8.34 3.76 0.00 2.10 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 2.04 2.47 0.00 87 I 7.44 3.68 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.99 0.00 0.00 88 L 7.54 3.83 0.00 1.86 1.67 0.52 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.09 3.49 1.76 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.75 0.00 0.00 90 N 8.26 4.27 0.00 2.85 2.94 0.00 0.00 7.00 6.78 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 91 T 7.78 3.95 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 92 A 8.20 3.95 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 93 R 8.34 3.91 0.00 2.01 2.00 0.00 3.11 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 94 I 7.62 3.81 2.04 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 1.42 0.96 0.94 0.00 0.00 95 H 8.57 4.25 0.00 3.23 3.46 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 96 A 8.01 3.96 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 97 Q 7.86 4.03 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 98 N 8.32 4.34 0.00 2.98 2.90 0.00 0.00 6.57 7.09 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 99 Y 8.14 3.94 0.00 3.17 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 0.00 100 L 8.16 4.41 0.00 1.91 1.87 1.02 0.31 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 0.00 101 K 8.18 3.92 0.00 1.81 1.91 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 102 T 7.66 3.74 3.61 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 0.03 0.00 0.00 103 Y 7.57 4.51 0.00 2.60 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 0.00 104 N 8.57 4.41 0.00 2.87 2.93 0.00 0.00 6.72 7.82 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 0.00 105 E 7.87 4.84 0.00 2.15 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 2.36 2.56 0.00 106 D 8.62 4.56 0.00 2.70 2.62 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 0.00 107 I 8.10 2.78 1.54 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.36 0.76 0.00 0.00 108 P 0.00 4.18 0.00 1.98 1.81 0.00 2.85 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 109 V 8.34 3.48 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 0.92 0.00 0.00 0.86 0.00 0.00 110 E 7.94 3.77 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 111 I 7.60 3.58 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.47 0.84 0.00 0.00 112 L 7.41 3.93 0.00 1.53 1.68 0.87 0.80 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 0.00 113 V 7.42 2.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 -0.16 0.00 0.00 114 R 8.38 3.83 0.00 1.86 2.00 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 115 R 7.87 3.83 0.00 1.94 2.03 0.00 3.14 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 1.09 1.58 0.00 116 L 7.76 4.02 0.00 1.91 1.78 0.82 0.72 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 S 8.26 4.29 0.00 4.02 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 0.00 118 D 8.21 4.39 0.00 2.95 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 0.00 119 I 7.64 3.79 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.73 1.01 0.00 0.00 120 K 7.97 4.25 0.00 2.12 1.96 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.59 7.81 121 Q 8.56 4.13 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 122 G 8.12 3.63 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 0.00 0.00 0.00 123 Y 7.90 3.97 0.00 3.16 3.05 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 0.00 124 T 7.77 4.33 4.45 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 1.15 0.00 0.00 125 Q 7.75 4.46 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 126 H 7.72 4.63 0.00 3.18 3.20 0.00 5.74 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 0.00 127 G 8.76 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 0.00 128 G 7.82 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 0.00 129 L 6.92 4.70 0.00 1.81 1.62 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.12 4.13 0.00 1.90 1.92 0.00 2.99 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 131 P 0.00 4.55 0.00 2.08 2.09 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 132 F 8.43 4.32 0.00 2.88 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 0.00 133 G 8.91 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.26 4.89 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 -0.22 0.00 0.00 0.85 0.00 0.00 135 S 8.47 4.65 0.00 3.81 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 0.00 136 F 8.76 5.39 0.00 2.44 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 0.00 0.00 0.00 137 I 8.34 4.55 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 1.26 0.87 0.95 0.00 0.00 138 Y 8.96 5.07 0.00 2.75 2.85 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 0.00 0.00 0.00 139 A 9.30 4.75 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 0.00 140 G 8.51 4.93 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 0.00 0.00 0.00 141 Y 8.34 4.93 0.00 2.98 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 0.00 142 D 7.44 4.64 0.00 2.58 2.41 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 0.00 143 D 8.45 4.54 0.00 2.82 2.84 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 R 8.25 4.09 0.00 1.66 1.83 0.00 3.23 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00