NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3688 8.3044 120.3563 54.6065 33.3888 173.4369 2 E 4.2369 8.0986 117.3083 55.9195 32.5403 170.2934 3 A 3.5751 9.5388 130.0893 51.6269 16.1948 177.3125 4 R 4.2349 7.9538 119.8357 56.8290 31.2404 178.3102 5 T 4.0187 8.1504 114.4484 64.9474 67.0868 177.1142 6 T 3.9350 7.7411 111.4067 64.9169 69.1869 176.2397 7 D 4.1747 8.2028 120.6226 56.8733 40.9338 178.8967 8 L 4.3401 7.6225 117.5617 57.8120 42.0121 179.1506 9 S 3.8405 7.8394 112.7192 61.4302 62.0548 175.0487 10 D 4.6797 8.9886 119.2795 55.4031 41.0593 176.0321 11 L 4.7767 8.9144 117.1476 55.3539 44.1864 175.9784 12 Y 4.7800 8.0473 116.5409 55.9984 38.6127 174.8699 13 P 4.2782 0.0000 0.0000 65.4461 32.1429 177.3756 14 E 4.4977 8.2720 116.3653 56.1095 29.4630 175.5294 15 G 4.2758 8.1085 107.0155 44.3516 0.0000 174.3115 16 E 4.4840 8.6962 122.4022 56.5299 30.9817 175.6568 17 A 4.9574 8.3063 122.0413 50.8710 22.4662 175.4939 18 L 4.7834 8.7069 120.9235 52.9696 44.9469 174.3703 19 P 4.5046 0.0000 0.0000 63.5001 29.9233 178.5934 *21 V 4.0077 8.8696 122.2505 61.5276 33.6636 175.2443 22 F 4.6680 8.2149 118.0592 56.7971 40.5548 174.8087 23 K 4.5595 9.6218 119.7902 55.0939 34.5762 176.3247 24 S 4.7693 8.4959 119.0145 57.4520 61.8835 173.3577 25 F 4.2072 9.6710 127.9131 59.7403 40.1619 176.8686 26 G 4.5802 8.0623 106.7501 44.8262 0.0000 173.0503 27 G 3.7853 8.3499 107.0342 45.6277 0.0000 174.0107 28 R 4.5367 7.9683 119.8306 54.2645 32.9947 176.3400 29 A 4.1837 8.7575 125.5774 54.1202 19.4059 176.8755 30 R 5.2498 7.5774 113.9828 54.7963 32.0587 176.3540 31 F 4.8116 8.2827 115.0388 56.4335 41.4964 172.7140 32 A 4.7409 9.3654 121.8106 50.0971 23.0519 174.8808 33 G 4.8262 6.8563 106.2387 44.4408 0.0000 172.0887 34 R 4.6962 8.0728 120.3989 56.4244 31.8554 175.1983 35 V 5.0305 9.0226 121.4967 60.1405 34.3353 174.1399 36 R 5.0151 8.8547 127.4401 54.8836 32.3829 176.3460 37 T 4.6660 8.4343 114.1771 60.5847 71.5640 173.1140 38 L 4.7027 8.0775 121.6818 54.0198 46.0215 173.7438 39 R 5.1210 8.9545 125.1889 54.9475 33.1938 174.3026 40 V 4.9164 8.9744 118.7509 60.0038 37.1479 174.4927 41 F 4.8640 8.3696 122.8065 56.4522 41.1099 174.1163 42 E 3.8557 7.9631 128.7527 54.9349 26.7524 174.9274 43 D 4.9648 7.4278 110.8404 54.7319 44.6352 174.4381 44 N 4.9515 8.7451 122.7422 52.0328 38.1129 175.9110 45 A 3.9644 8.1678 123.4699 55.9811 18.1985 180.4022 46 L 4.0723 7.8174 116.5874 57.3766 41.9944 179.2752 47 V 3.6175 7.8493 117.9676 64.8629 31.2280 177.9417 48 R 3.9237 7.6970 118.2106 59.0958 30.1212 177.6863 49 K 4.0257 7.5091 117.7077 59.6210 32.4500 178.6281 50 V 3.9592 7.7341 118.2383 66.0938 31.4542 177.9801 51 L 3.2487 7.0309 115.7684 56.0449 41.4337 178.0984 52 E 4.4812 7.7528 116.2319 56.9536 30.1805 176.9923 53 E 4.1283 8.1516 119.6616 56.4181 30.1543 176.3273 54 E 5.1441 7.7401 121.8479 55.9840 31.4963 176.3486 55 G 2.0000 7.5648 117.0556 44.4484 0.0000 172.1781 56 A 3.3510 7.8066 128.7588 52.2257 15.3252 178.0941 57 G 3.9996 8.2489 105.9683 46.4177 0.0000 171.1181 58 Q 4.4970 7.9659 120.4039 55.9662 29.9140 175.4480 59 V 4.9112 9.3618 125.2734 60.5019 33.1486 174.7220 60 L 4.6506 8.7324 131.8232 54.8723 43.0030 175.0813 61 F 4.7992 8.7535 130.1359 56.9491 40.9355 174.3704 62 V 4.6086 8.8642 127.0705 61.2574 33.9746 173.8709 63 D 4.9864 9.6984 129.1212 52.8875 41.8319 175.9633 64 G 4.6845 8.7814 115.0395 45.0667 0.0000 173.5861 65 G 4.0351 9.0341 105.7350 45.5086 0.0000 175.4162 66 G 3.7640 8.1763 106.6460 45.1334 0.0000 174.4961 67 S 4.2955 7.8252 114.6159 58.3437 62.5901 174.3294 68 L 4.7350 8.1544 123.0957 54.3978 43.3559 178.6488 69 R 3.7519 7.4918 116.8027 58.5207 30.4735 176.9188 70 T 4.6419 7.2656 107.1938 59.7126 71.1678 173.2835 71 A 4.5138 8.7583 126.6973 52.2334 19.4401 177.6177 72 L 4.5827 8.2229 116.5584 54.1202 44.4670 177.0760 73 L 4.4635 7.7003 120.9896 53.1447 45.2295 174.2417 74 G 4.3502 8.6140 115.7810 45.2533 0.0000 175.1299 75 G 3.7607 8.7339 107.1583 47.1784 0.0000 174.6182 76 N 4.3496 8.1002 118.4603 56.1305 38.5768 176.9962 77 L 3.7891 7.9273 119.2728 58.0186 41.3025 179.6233 78 A 3.9576 7.6278 119.0880 55.2278 18.2638 179.9693 79 R 4.2152 8.2048 116.6009 59.1891 30.2733 178.9799 80 R 3.9091 8.8304 118.9693 59.6533 29.8630 178.2411 81 A 4.2162 8.1845 119.3404 55.0777 18.3594 178.9388 82 W 4.5323 7.8209 124.8480 59.8956 30.9663 177.7797 83 E 3.8082 8.7274 117.9926 57.4284 29.2270 177.3996 84 K 4.4341 8.6460 118.4218 56.1591 32.7216 177.0402 85 G 4.0958 9.0058 113.2657 46.5743 0.0000 174.5907 86 W 4.2075 6.6968 116.9449 55.2131 28.8851 176.2658 87 A 4.6374 8.2664 127.5619 48.8800 18.0814 175.2197 88 G 4.0473 9.0961 108.5015 44.0937 0.0000 170.9477 89 V 4.5011 7.6731 121.9491 61.5510 34.5863 173.3107 90 V 4.3940 8.5955 129.0336 61.4908 33.6079 174.7997 91 V 4.4926 8.4999 126.7265 60.6759 34.5829 175.3357 92 H 5.2540 9.5333 133.3743 54.5292 28.1740 172.6652 93 G 4.2061 7.3740 109.8266 46.1459 0.0000 172.1270 94 A 5.5977 8.1582 124.9221 50.3165 22.7711 175.7733 95 V 4.6339 7.6351 110.7208 60.7933 36.6838 173.7791 96 R 4.6886 8.4144 116.4089 55.5610 33.2650 173.9283 97 D 4.4061 8.4520 115.2224 55.4974 37.3446 175.8018 98 T 4.0374 8.0374 118.9974 67.1554 68.7046 175.4359 99 E 3.9083 8.2620 118.8347 59.5343 29.8883 178.5011 100 E 4.0858 8.0361 117.6731 59.5257 29.8459 178.8114 101 L 4.0428 8.1701 119.2839 58.0760 41.4561 179.6429 102 R 4.4385 7.7489 118.5730 58.2059 30.0795 177.4703 103 E 4.1855 8.1465 116.7327 56.1507 30.1030 176.3391 104 V 3.5236 6.8895 114.2950 58.6397 33.3410 175.5567 105 P 4.6499 0.0000 0.0000 63.1622 30.8832 175.3324 106 I 4.5948 7.2808 114.2117 60.4701 41.8801 173.3673 107 G 3.2697 7.8826 108.0042 44.5138 0.0000 173.4742 108 L 4.9733 8.0146 123.3646 53.3762 45.4397 174.6180 109 L 5.3768 8.4314 124.4200 53.1223 44.2923 175.8500 110 A 5.3748 8.6151 122.1925 51.9439 22.6776 177.4111 111 L 4.0567 8.8033 119.9229 57.5705 42.1702 177.5362 112 A 4.8090 7.6999 116.9939 51.1267 22.4291 175.0343 113 A 4.9511 8.8785 121.2010 51.9336 19.8834 176.9603 114 T 4.2739 8.9303 114.5333 60.0587 70.4466 171.3823 115 P 4.2483 0.0000 0.0000 63.9473 32.1843 176.3847 116 K 3.9421 7.9126 114.6671 56.9960 33.2434 175.9746 117 K 4.4620 8.5392 123.5903 56.5067 34.0374 176.6414 118 S 4.4410 8.0426 117.0339 57.6452 64.2102 173.1478 119 A 4.5223 8.0207 124.2930 51.2624 19.7981 177.6859 120 K 4.9128 7.8132 116.3067 55.7849 33.0413 177.7804 121 E 4.0917 8.5844 120.0465 58.3682 30.0771 178.4751 122 G 4.0322 9.0605 104.6895 45.0899 0.0000 173.8925 123 K 3.7075 7.9860 120.2064 57.0327 32.5355 176.5247 124 G 3.9845 7.5627 110.7593 44.4056 0.0000 171.7816 125 E 4.5800 8.3732 117.7028 55.1273 32.6534 174.7715 126 V 4.1832 8.4307 122.9965 62.8179 32.7315 174.9345 127 D 4.5863 8.4190 120.6642 53.6964 39.5846 174.4812 128 V 3.7525 7.6580 119.0662 61.7367 32.0548 173.9038 129 P 4.5267 0.0000 0.0000 63.3265 31.7526 175.4416 130 L 4.7280 9.1070 122.6462 53.0837 45.1005 175.7542 131 K 4.6250 8.4553 121.2640 54.7905 33.9273 174.8642 132 V 4.2023 8.2313 126.6435 61.5885 33.0308 175.5191 133 L 3.8673 9.9475 126.6286 55.9524 38.5765 175.4777 134 G 4.2064 7.3101 112.9269 44.4363 0.0000 174.6834 135 V 3.8797 8.0688 113.4975 61.9212 32.2964 175.4954 136 E 4.6294 8.7176 124.8238 55.6391 31.4458 176.2112 137 V 4.0694 8.7758 121.7723 61.2323 33.6082 173.6102 138 L 4.9730 8.1534 130.5560 52.3114 44.1365 173.9017 139 P 4.5050 0.0000 0.0000 64.3238 31.5839 176.8150 140 G 3.9925 9.3328 110.7499 45.3927 0.0000 173.9402 141 S 4.5907 7.5340 114.5082 57.9505 65.1768 172.7979 142 F 5.3154 8.9033 122.5802 56.6741 41.5366 174.1406 143 L 5.1246 8.0389 125.8881 53.0387 45.8368 174.7310 144 L 4.7672 8.3720 125.5056 53.1738 45.6573 174.9810 145 A 5.5667 8.1312 125.4177 50.2573 23.1726 175.2937 146 D 5.1414 8.0468 116.7170 53.8751 41.7992 176.3223 147 E 4.0736 9.0749 118.2303 58.7216 29.4623 177.3720 148 D 4.7980 9.3592 117.0837 53.8060 43.4001 176.7211 149 G 3.7582 6.7072 106.2511 44.5623 0.0000 171.7007 150 L 5.2051 8.2687 120.4816 52.8529 45.6852 175.9792 151 L 4.9313 8.8662 123.4186 53.6087 45.1341 175.4230 152 L 4.7460 8.5342 128.0682 53.5917 42.2824 176.1527 153 L 4.7276 8.4198 124.5479 52.2753 43.7220 176.7179 154 P 4.3227 0.0000 0.0000 65.1815 31.6830 176.5332 155 E 4.6168 7.7640 116.2042 53.5509 32.4965 172.4247 156 P 3.5008 0.0000 0.0000 62.5643 31.8435 175.2655 *157 P 4.2215 0.0000 0.0000 62.5824 31.3635 173.8589 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 8.30 4.37 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 E 8.10 4.24 0.00 2.00 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 2.11 2.39 0.00 3 A 9.54 3.58 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 4 R 7.95 4.23 0.00 2.01 1.87 0.00 3.30 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 5 T 8.15 4.02 4.47 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 1.34 0.00 0.00 6 T 7.74 3.93 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 7 D 8.20 4.17 0.00 2.67 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 8 L 7.62 4.34 0.00 1.68 1.49 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.84 3.84 0.00 3.92 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 10 D 8.99 4.68 0.00 2.74 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.91 4.78 0.00 1.97 1.57 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.05 4.78 0.00 2.98 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 13 P 0.00 4.28 0.00 2.05 2.18 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 14 E 8.27 4.50 0.00 2.01 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 2.26 0.00 15 G 8.11 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 16 E 8.70 4.48 0.00 2.04 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 2.40 2.25 0.00 17 A 8.31 4.96 1.22 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 0.00 0.00 18 L 8.71 4.78 0.00 1.76 1.82 1.22 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.50 0.00 2.07 1.54 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 *21 V 8.87 4.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.52 0.00 0.00 22 F 8.21 4.67 0.00 2.92 3.28 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 23 K 9.62 4.56 0.00 1.72 1.36 0.00 1.65 0.00 0.00 1.40 0.00 0.00 2.73 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.42 7.81 24 S 8.50 4.77 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 9.67 4.21 0.00 2.97 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.06 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 0.00 0.00 0.00 0.00 27 G 8.35 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 28 R 7.97 4.54 0.00 1.83 1.98 0.00 3.29 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.73 0.00 29 A 8.76 4.18 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 30 R 7.58 5.25 0.00 1.76 1.90 0.00 3.28 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 31 F 8.28 4.81 0.00 3.09 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 32 A 9.37 4.74 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 6.86 4.83 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 0.00 0.00 0.00 34 R 8.07 4.70 0.00 2.06 1.91 0.00 3.18 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 35 V 9.02 5.03 2.21 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 1.47 0.00 0.00 1.02 0.00 0.00 36 R 8.85 5.02 0.00 2.08 1.99 0.00 3.35 0.00 0.00 3.75 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 37 T 8.43 4.67 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 38 L 8.08 4.70 0.00 1.78 1.52 0.94 0.63 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 39 R 8.95 5.12 0.00 1.94 1.76 0.00 3.36 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.89 0.00 40 V 8.97 4.92 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 0.73 0.00 0.00 0.99 0.00 0.00 41 F 8.37 4.86 0.00 2.92 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 42 E 7.96 3.86 0.00 1.88 1.69 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 1.68 1.47 0.00 43 D 7.43 4.96 0.00 2.56 2.50 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 44 N 8.75 4.95 0.00 2.89 2.88 0.00 0.00 6.42 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 45 A 8.17 3.96 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 46 L 7.82 4.07 0.00 1.70 1.72 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.85 3.62 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 0.89 0.00 0.00 0.88 0.00 0.00 48 R 7.70 3.92 0.00 1.87 2.02 0.00 3.24 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 49 K 7.51 4.03 0.00 1.86 1.98 0.00 1.86 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.48 7.81 50 V 7.73 3.96 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 0.96 0.00 0.00 1.04 0.00 0.00 51 L 7.03 3.25 0.00 1.52 1.32 0.65 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.75 4.48 0.00 2.11 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 0.00 2.51 2.40 0.00 53 E 8.15 4.13 0.00 2.21 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 2.39 2.57 0.00 54 E 7.74 5.14 0.00 1.85 1.77 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 1.94 1.96 0.00 55 G 7.56 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 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.81 3.35 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 57 G 8.25 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 58 Q 7.97 4.50 0.00 1.50 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 59 V 9.36 4.91 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 1.53 0.00 0.00 1.25 0.00 0.00 60 L 8.73 4.65 0.00 1.49 1.33 0.95 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.75 4.80 0.00 3.17 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 62 V 8.86 4.61 2.04 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 0.89 0.00 0.00 0.86 0.00 0.00 63 D 9.70 4.99 0.00 2.95 2.77 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 64 G 8.78 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.03 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 66 G 8.18 3.76 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 0.00 0.00 0.00 67 S 7.83 4.30 0.00 3.86 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 4.73 0.00 1.68 1.60 0.91 0.91 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 69 R 7.49 3.75 0.00 1.91 1.93 0.00 3.14 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 70 T 7.27 4.64 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 1.10 0.00 0.00 71 A 8.76 4.51 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 72 L 8.22 4.58 0.00 1.34 1.58 0.88 1.03 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 73 L 7.70 4.46 0.00 1.56 1.27 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.61 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 0.00 0.00 0.00 0.00 75 G 8.73 3.76 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 0.00 0.00 0.00 76 N 8.10 4.35 0.00 2.73 2.84 0.00 0.00 7.11 6.74 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 77 L 7.93 3.79 0.00 1.61 1.64 0.87 0.89 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 78 A 7.63 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 79 R 8.20 4.22 0.00 2.00 2.35 0.00 3.24 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.04 0.00 80 R 8.83 3.91 0.00 1.94 2.15 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 81 A 8.18 4.22 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 W 7.82 4.53 0.00 3.28 3.51 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 83 E 8.73 3.81 0.00 2.03 1.89 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 2.07 2.31 0.00 84 K 8.65 4.43 0.00 2.05 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.60 7.81 85 G 9.01 4.10 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 0.00 86 W 6.70 4.21 0.00 3.52 3.18 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 87 A 8.27 4.64 1.40 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 0.00 0.00 0.00 88 G 9.10 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.67 4.50 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 0.77 0.00 0.00 0.80 0.00 0.00 90 V 8.60 4.39 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 -0.35 0.00 0.00 0.78 0.00 0.00 91 V 8.50 4.49 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 0.91 0.00 0.00 0.77 0.00 0.00 92 H 9.53 5.25 0.00 3.43 3.51 0.00 5.69 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 93 G 7.37 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 94 A 8.16 5.60 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 95 V 7.64 4.63 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 0.36 0.00 0.00 -0.16 0.00 0.00 96 R 8.41 4.69 0.00 1.85 2.14 0.00 2.90 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 97 D 8.45 4.41 0.00 2.90 2.95 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 98 T 8.04 4.04 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 1.19 0.00 0.00 99 E 8.26 3.91 0.00 1.95 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 2.29 2.41 0.00 100 E 8.04 4.09 0.00 2.20 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 2.39 2.39 0.00 101 L 8.17 4.04 0.00 1.87 1.77 0.86 0.90 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 0.00 102 R 7.75 4.44 0.00 1.77 2.10 0.00 3.09 0.00 0.00 3.02 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 103 E 8.15 4.19 0.00 2.01 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 2.44 2.44 0.00 104 V 6.89 3.52 1.76 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 0.65 0.00 0.00 0.87 0.00 0.00 105 P 0.00 4.65 0.00 1.96 1.88 0.00 2.20 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.45 0.00 106 I 7.28 4.59 1.88 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 1.12 0.76 1.02 0.00 0.00 107 G 7.88 3.27 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 0.00 108 L 8.01 4.97 0.00 1.62 1.47 0.84 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.43 5.38 0.00 1.30 1.37 0.82 0.72 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 0.00 110 A 8.62 5.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.80 4.06 0.00 1.67 1.72 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.70 4.81 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 0.00 113 A 8.88 4.95 1.47 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 0.00 0.00 114 T 8.93 4.27 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 1.15 0.00 0.00 115 P 0.00 4.25 0.00 2.06 1.95 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 116 K 7.91 3.94 0.00 1.82 1.74 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.46 7.81 117 K 8.54 4.46 0.00 1.72 1.77 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.40 7.81 118 S 8.04 4.44 0.00 4.35 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 0.00 119 A 8.02 4.52 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 0.00 120 K 7.81 4.91 0.00 1.68 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.31 1.57 7.81 121 E 8.58 4.09 0.00 2.11 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 2.40 2.40 0.00 122 G 9.06 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 0.00 123 K 7.99 3.71 0.00 1.75 1.93 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.51 7.81 124 G 7.56 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 0.00 125 E 8.37 4.58 0.00 2.16 2.04 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 2.33 2.27 0.00 126 V 8.43 4.18 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 1.04 0.00 0.00 0.95 0.00 0.00 127 D 8.42 4.59 0.00 2.88 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 0.00 128 V 7.66 3.75 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 0.81 0.00 0.00 1.02 0.00 0.00 129 P 0.00 4.53 0.00 2.09 2.03 0.00 3.78 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 1.98 2.00 0.00 130 L 9.11 4.73 0.00 1.37 1.51 1.03 1.00 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 0.00 131 K 8.46 4.63 0.00 1.68 1.66 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.53 7.81 132 V 8.23 4.20 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 0.87 0.00 0.00 1.02 0.00 0.00 133 L 9.95 3.87 0.00 1.86 1.74 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 134 G 7.31 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 0.00 135 V 8.07 3.88 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 1.19 0.00 0.00 1.01 0.00 0.00 136 E 8.72 4.63 0.00 2.08 1.89 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 2.21 2.25 0.00 137 V 8.78 4.07 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 0.51 0.00 0.00 0.08 0.00 0.00 138 L 8.15 4.97 0.00 1.77 1.47 0.91 0.90 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 0.00 139 P 0.00 4.51 0.00 2.15 2.07 0.00 3.84 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 2.00 2.34 0.00 140 G 9.33 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 0.00 141 S 7.53 4.59 0.00 4.13 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 0.00 142 F 8.90 5.32 0.00 3.11 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 0.00 143 L 8.04 5.12 0.00 1.52 1.17 1.01 0.07 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 0.00 144 L 8.37 4.77 0.00 1.57 1.29 0.98 1.15 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 0.00 145 A 8.13 5.57 0.62 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 0.00 146 D 8.05 5.14 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 9.07 4.07 0.00 1.99 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 2.35 2.31 0.00 148 D 9.36 4.80 0.00 2.65 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 G 6.71 3.76 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 0.00 0.00 0.00 150 L 8.27 5.21 0.00 1.61 1.50 0.82 0.36 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 0.00 151 L 8.87 4.93 0.00 1.64 1.40 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.53 4.75 0.00 1.56 1.59 0.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.42 4.73 0.00 1.68 1.64 0.57 0.79 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 0.00 154 P 0.00 4.32 0.00 2.07 2.13 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 155 E 7.76 4.62 0.00 1.87 1.76 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 2.13 2.28 0.00 156 P 0.00 3.50 0.00 1.77 1.31 0.00 3.62 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 1.73 1.37 0.00 *157 P 0.00 4.22 0.00 1.83 1.79 0.00 3.22 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.02 0.00 * Residues marked with a * may have inaccurate shift predictions.