NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3175 8.1233 122.4727 52.1579 20.8495 174.9573 3 T 4.5560 8.0640 115.6145 61.5350 70.4508 172.2548 4 Y 4.3926 9.5493 125.7220 56.2784 40.8897 174.1518 5 Y 5.1134 8.8341 122.0506 56.7506 40.9091 174.2950 6 Y 5.6372 8.4448 119.7558 56.1343 41.7490 173.7275 7 I 4.9532 8.8938 113.2914 59.1331 40.9363 174.1566 8 L 5.4576 9.3420 125.8582 53.7119 45.5583 174.9585 9 A 4.9571 8.8654 126.0210 50.7611 23.7141 175.7270 10 S 4.6105 8.6193 113.5396 58.0652 63.6769 175.4710 11 K 3.9592 9.1305 123.8456 59.5299 31.8153 179.2187 12 K 4.0523 7.9992 120.7622 59.0173 32.2331 178.3016 13 F 4.1395 8.6195 121.1945 61.1856 39.1350 176.2925 14 L 4.4207 8.1504 116.3741 55.6535 41.4012 177.5112 15 T 4.3022 7.4042 108.3411 63.4356 70.0849 176.2448 16 E 4.0322 8.0337 120.9527 58.5094 29.9939 177.2531 17 E 3.7839 8.2709 118.8283 56.1975 29.8802 176.4232 18 E 4.3069 7.1110 128.7227 53.6165 29.5665 173.1275 19 P 4.6142 0.0000 0.0000 61.9855 32.4641 177.4260 20 L 4.7553 8.3820 121.2005 54.5817 42.1941 178.0600 21 E 3.9773 8.1425 121.8031 59.8129 29.4960 178.7481 22 E 4.0729 8.2262 117.9674 59.1273 29.5887 179.2530 23 V 3.6735 7.9856 117.9680 66.1124 31.6341 177.9256 24 F 3.9684 8.6803 117.3175 60.7710 38.8711 177.9391 25 R 4.0712 8.3624 117.6441 59.3518 29.8630 179.0635 26 E 3.9990 8.5828 118.7533 59.3713 29.3714 179.4233 27 R 3.7557 8.0104 118.7805 59.3657 30.0446 178.5746 28 Q 4.0675 8.5772 118.3753 59.0348 28.6963 178.9789 29 R 3.9786 8.1552 119.1316 59.4033 30.1974 178.5404 30 H 4.3357 8.3482 117.9865 59.6075 29.9233 176.8414 31 Y 3.8294 8.5124 118.6784 61.2138 37.7513 179.0185 32 R 4.0069 8.2445 118.8793 59.3550 29.9591 179.0194 33 E 4.0329 8.2516 117.3730 58.7355 29.5135 178.3779 34 Q 4.3883 7.6416 115.2194 54.5452 29.2894 175.7138 35 G 3.8702 7.6295 107.8897 46.4730 0.0000 173.8486 36 K 4.3637 8.1524 118.6347 54.1914 33.5503 176.3487 37 E 4.2439 8.5399 123.7449 55.3582 30.3285 176.4854 38 I 3.4767 8.4550 127.2600 61.9510 37.7775 175.4027 39 D 4.3256 8.0775 123.7709 52.2624 40.0683 174.4445 40 F 4.8206 5.8139 112.7956 55.5296 40.7478 173.7585 41 W 5.5599 9.8988 120.6316 55.2639 34.0214 173.5091 42 L 4.7707 8.9852 125.0148 54.5875 42.9114 176.5655 43 V 4.5101 9.2709 126.3623 60.0648 33.0311 172.2012 44 P 4.5422 0.0000 0.0000 62.7544 32.1076 176.3771 45 E 3.7090 8.9144 120.9995 56.4678 27.2042 173.5299 46 P 4.3225 0.0000 0.0000 62.8529 32.3697 178.1058 47 A 3.9125 8.6592 124.8155 54.8647 18.1956 179.6803 48 F 3.8533 7.8934 112.8953 59.9985 37.3435 177.2205 49 L 3.4998 5.8182 118.2794 57.2036 41.7881 177.9120 50 E 4.1866 7.7751 116.5791 56.4701 30.2187 176.7407 51 Q 4.3613 7.8009 119.9861 54.4558 29.9740 175.3602 52 P 4.2797 0.0000 0.0000 65.7534 31.3342 178.2766 53 Q 3.8218 8.0535 118.8305 58.0417 29.1323 176.4136 54 F 4.9170 8.3602 115.7256 57.1047 39.8698 176.8621 55 A 4.0208 7.9817 125.8055 55.4552 17.9699 179.9748 56 E 3.8920 8.2532 116.9620 59.8483 29.7363 178.9214 57 Q 4.1033 8.2100 117.3271 58.9259 28.6473 178.7045 58 K 3.9272 8.2976 119.7320 59.3839 32.2810 178.4079 59 A 4.1440 7.9719 120.2630 55.2804 18.4285 179.5526 60 R 4.0797 7.9770 115.0981 57.2054 30.4659 176.3735 61 C 4.5388 7.5491 119.3955 56.8781 32.6124 171.5287 62 P 4.4179 0.0000 0.0000 62.7146 31.6419 175.6213 63 Q 4.7697 8.2361 120.7203 53.2564 31.1659 173.8194 64 P 4.5027 0.0000 0.0000 63.0090 33.0006 175.3426 65 A 5.1216 8.4044 122.9152 50.7939 22.5412 174.9822 66 A 5.1023 8.9538 119.0204 50.8792 23.1001 175.5244 67 A 5.3949 9.1068 121.4288 50.2664 23.5585 175.1189 68 I 5.2033 8.7752 120.4485 59.8455 39.8906 174.9129 69 I 5.3773 9.2450 128.2975 59.9996 40.4502 174.7518 70 S 5.5832 9.5513 118.6437 58.1934 66.0391 174.5556 71 T 4.5706 8.7648 114.1928 62.0817 69.7477 174.0788 72 N 4.7085 8.2921 122.8257 52.1138 38.7909 174.7718 73 Q 3.4803 8.2092 127.8264 58.9929 28.8703 177.8839 74 Q 4.3623 7.9377 120.0003 58.3545 28.7518 178.3423 75 F 4.3271 8.7243 121.7673 61.3788 39.3878 177.3271 76 I 3.5485 7.5028 118.0683 64.4559 36.7853 178.4367 77 Q 3.9719 8.2901 119.0840 58.5151 28.4757 178.7562 78 W 4.0252 8.3989 129.7094 60.5001 30.7544 178.0472 79 L 3.7718 7.9983 119.0097 57.5497 40.9164 179.4718 80 K 3.9112 8.1137 119.6292 59.4700 31.9074 178.9418 81 L 4.0489 7.4512 118.2562 57.5617 41.5389 179.2598 82 R 3.7130 7.3211 117.7483 59.1809 30.0703 178.0449 83 L 4.2416 7.9724 117.4606 55.8094 42.0837 176.8649 84 E 4.0792 8.3861 121.1051 57.9320 28.9851 175.3594 85 Y 4.0512 7.7819 115.8153 56.6638 36.2963 174.7308 86 V 4.3159 6.8522 118.9072 61.3887 35.7348 173.7761 87 L 4.4089 8.6019 124.0848 53.6592 44.7972 174.7704 *89 G 3.6881 8.1856 105.3934 47.3561 0.0000 171.5694 90 Q 5.2206 8.4977 115.6372 55.7766 31.3891 173.3017 91 F 5.3135 8.6064 114.3198 56.4762 41.9000 173.0060 92 T 5.1000 9.0341 110.0907 59.9255 71.2085 175.6216 93 S 4.3718 8.9607 118.4376 61.7475 62.9508 176.8552 94 E 4.1010 7.7800 116.1291 58.0304 29.8102 177.5029 95 E 4.2067 8.1481 118.7531 57.4547 30.1227 176.3651 96 V 4.2207 7.2503 117.7097 59.9634 33.3105 172.8638 97 P 4.4091 0.0000 0.0000 65.4722 31.1707 176.5743 98 N 4.8294 7.5713 117.7591 49.2269 39.0228 172.5381 99 P 4.0243 0.0000 0.0000 65.3329 31.5944 177.4668 100 L 4.4149 7.4568 113.4420 54.1976 41.9975 176.3135 101 A 4.0610 7.7826 122.6495 52.4306 19.2245 177.0105 102 S 4.8972 8.5638 116.5338 56.2732 64.8495 173.3952 103 L 4.5930 8.6186 125.8331 54.4716 42.0086 176.8918 104 A 4.3098 8.1250 122.3822 52.0547 18.6628 178.3026 105 S 4.7411 8.5608 113.9206 57.7003 64.0908 174.2339 106 V 4.4889 7.4433 119.0841 60.1123 34.1738 174.2279 107 L 4.5435 8.3786 121.3369 53.9365 43.5090 176.5294 108 E 4.1227 8.9347 122.1920 56.9498 29.6615 174.5467 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 2 A 8.12 4.32 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 3 T 8.06 4.56 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 0.53 0.00 0.00 4 Y 9.55 4.39 0.00 1.52 2.37 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 5 Y 8.83 5.11 0.00 3.03 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.44 5.64 0.00 3.19 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 7 I 8.89 4.95 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 0.94 0.00 0.00 8 L 9.34 5.46 0.00 2.05 1.79 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.87 4.96 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 10 S 8.62 4.61 0.00 4.07 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 11 K 9.13 3.96 0.00 1.88 1.91 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.46 7.81 12 K 8.00 4.05 0.00 1.90 1.86 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.50 7.81 13 F 8.62 4.14 0.00 3.11 3.24 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 14 L 8.15 4.42 0.00 1.84 1.73 1.09 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.40 4.30 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 1.23 0.00 0.00 16 E 8.03 4.03 0.00 1.94 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 2.31 2.30 0.00 17 E 8.27 3.78 0.00 1.76 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 1.86 2.17 0.00 18 E 7.11 4.31 0.00 1.41 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 1.69 1.87 0.00 19 P 0.00 4.61 0.00 2.17 2.18 0.00 3.28 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 20 L 8.38 4.76 0.00 1.83 2.06 1.15 1.00 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 21 E 8.14 3.98 0.00 2.04 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 2.43 2.44 0.00 22 E 8.23 4.07 0.00 2.09 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 0.00 2.44 2.35 0.00 23 V 7.99 3.67 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.21 0.00 0.00 24 F 8.68 3.97 0.00 3.50 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 25 R 8.36 4.07 0.00 1.94 2.04 0.00 3.19 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 26 E 8.58 4.00 0.00 2.03 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 2.35 2.60 0.00 27 R 8.01 3.76 0.00 1.44 1.19 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 28 Q 8.58 4.07 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.88 0.00 29 R 8.16 3.98 0.00 2.07 2.01 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 30 H 8.35 4.34 0.00 3.24 3.58 0.00 5.79 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 31 Y 8.51 3.83 0.00 3.17 3.19 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 32 R 8.24 4.01 0.00 1.90 2.00 0.00 3.16 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 1.69 1.98 0.00 33 E 8.25 4.03 0.00 2.05 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 2.35 2.65 0.00 34 Q 7.64 4.39 0.00 1.78 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 35 G 7.63 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 36 K 8.15 4.36 0.00 1.20 1.36 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.56 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.13 0.98 7.81 37 E 8.54 4.24 0.00 1.98 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 0.00 2.39 2.40 0.00 38 I 8.46 3.48 1.66 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.55 -0.33 0.00 0.00 39 D 8.08 4.33 0.00 2.74 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 40 F 5.81 4.82 0.00 2.83 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 9.90 5.56 0.00 3.42 3.04 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 42 L 8.99 4.77 0.00 1.38 1.56 0.78 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.27 4.51 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.12 0.00 0.00 44 P 0.00 4.54 0.00 2.10 2.03 0.00 3.98 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 45 E 8.91 3.71 0.00 2.04 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 2.19 0.00 46 P 0.00 4.32 0.00 1.35 2.09 0.00 3.53 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 47 A 8.66 3.91 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 48 F 7.89 3.85 0.00 2.43 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 49 L 5.82 3.50 0.00 0.68 1.39 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.78 4.19 0.00 2.01 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 2.20 2.40 0.00 51 Q 7.80 4.36 0.00 2.66 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 52 P 0.00 4.28 0.00 2.20 2.33 0.00 3.73 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 2.06 1.97 0.00 53 Q 8.05 3.82 0.00 1.79 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.37 0.00 0.00 0.00 0.00 0.00 1.58 2.08 0.00 54 F 8.36 4.92 0.00 3.23 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.98 4.02 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 56 E 8.25 3.89 0.00 2.12 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 2.42 2.52 0.00 57 Q 8.21 4.10 0.00 2.37 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 58 K 8.30 3.93 0.00 1.90 2.00 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.42 7.81 59 A 7.97 4.14 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 60 R 7.98 4.08 0.00 1.84 2.01 0.00 3.17 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 61 C 7.55 4.54 0.00 3.02 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 62 P 0.00 4.42 0.00 2.10 1.98 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 63 Q 8.24 4.77 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 64 P 0.00 4.50 0.00 2.10 2.16 0.00 3.67 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 2.07 1.97 0.00 65 A 8.40 5.12 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.95 5.10 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 67 A 9.11 5.39 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 68 I 8.78 5.20 2.12 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.33 1.31 0.00 0.00 69 I 9.24 5.38 2.35 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 1.42 1.32 1.22 0.00 0.00 70 S 9.55 5.58 0.00 4.17 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 71 T 8.76 4.57 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 1.08 0.00 0.00 72 N 8.29 4.71 0.00 2.79 2.84 0.00 0.00 6.78 7.23 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 73 Q 8.21 3.48 0.00 0.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.67 0.00 0.00 0.00 0.00 0.00 2.07 1.77 0.00 74 Q 7.94 4.36 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 75 F 8.72 4.33 0.00 2.92 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.50 3.55 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.96 0.95 0.00 0.00 77 Q 8.29 3.97 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 78 W 8.40 4.03 0.00 3.47 3.37 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 79 L 8.00 3.77 0.00 1.78 1.64 0.49 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.11 3.91 0.00 1.82 1.93 0.00 1.48 0.00 0.00 1.61 0.00 0.00 3.18 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.47 7.81 81 L 7.45 4.05 0.00 1.56 1.54 0.88 0.88 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 82 R 7.32 3.71 0.00 0.78 1.44 0.00 3.17 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.50 0.00 83 L 7.97 4.24 0.00 1.73 2.01 1.07 0.85 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 84 E 8.39 4.08 0.00 2.24 2.18 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 2.39 2.44 0.00 85 Y 7.78 4.05 0.00 2.85 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 86 V 6.85 4.32 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 0.93 0.00 0.00 1.01 0.00 0.00 87 L 8.60 4.41 0.00 1.77 1.73 1.00 0.99 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 *89 G 8.19 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 90 Q 8.50 5.22 0.00 1.72 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 91 F 8.61 5.31 0.00 3.34 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.03 5.10 4.48 0.00 0.00 0.00 0.00 0.00 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 93 S 8.96 4.37 0.00 4.04 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 94 E 7.78 4.10 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 95 E 8.15 4.21 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 96 V 7.25 4.22 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.38 0.00 0.00 97 P 0.00 4.41 0.00 2.19 2.17 0.00 3.71 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 1.95 1.98 0.00 98 N 7.57 4.83 0.00 2.73 2.66 0.00 0.00 7.06 8.03 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 99 P 0.00 4.02 0.00 1.36 1.34 0.00 3.49 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 1.73 2.18 0.00 100 L 7.46 4.41 0.00 1.37 1.50 -0.38 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.78 4.06 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 0.00 102 S 8.56 4.90 0.00 3.84 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 0.00 103 L 8.62 4.59 0.00 1.58 1.61 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.13 4.31 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 0.00 105 S 8.56 4.74 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.44 4.49 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 0.76 0.00 0.00 0.92 0.00 0.00 107 L 8.38 4.54 0.00 1.62 1.61 0.92 0.96 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 0.00 108 E 8.93 4.12 0.00 2.06 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 2.23 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.