NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 W 4.7640 8.2749 130.5354 57.2371 31.8975 173.9656 8 L 4.0104 6.3717 120.5406 52.0481 43.1566 175.2261 9 D 4.6813 8.5712 122.3520 51.9924 42.1671 175.9797 10 F 4.3238 8.5045 125.7169 59.7287 39.1313 176.0517 11 D 4.9868 7.6091 118.7909 52.8524 40.1224 176.3443 12 Q 4.8894 7.2728 114.2416 57.0653 33.0505 172.2746 13 L 3.7919 8.3885 123.2534 56.1215 40.8045 178.7136 *20 D 4.4733 8.8455 126.7817 54.7154 42.6032 174.8826 21 A 4.1927 8.4814 122.7030 53.0000 19.0844 177.0128 22 L 4.7519 8.2724 120.4152 52.7915 43.8211 176.3402 23 K 4.6575 8.2591 121.7917 53.6899 34.8033 174.5443 24 P 4.4912 0.0000 0.0000 61.5652 32.0099 174.7089 25 P 4.4453 0.0000 0.0000 62.8881 31.6077 176.7770 26 S 4.5479 8.4836 117.1211 58.5996 64.4869 173.5449 27 M 4.9083 8.4834 120.8259 55.4795 33.6992 174.9363 28 Y 5.1029 9.5456 118.6491 56.2124 42.3965 175.1231 29 K 4.7460 9.3286 123.3779 56.1104 34.0164 175.9340 30 V 4.8697 9.2112 124.6836 61.4289 33.5582 174.4289 31 I 5.0732 9.3045 128.7355 59.5083 40.8118 174.3291 32 L 4.9455 8.6718 125.5030 53.1191 43.8185 175.6138 33 V 4.5954 8.4609 124.2244 61.1668 33.1462 175.0817 34 N 4.8219 8.9309 126.4173 53.7862 39.4892 173.4662 35 D 4.7594 8.3181 121.6683 52.5614 42.4143 175.2834 36 D 4.6162 8.5680 117.6283 55.0648 41.3497 176.9950 37 Y 4.4103 8.1032 116.3447 59.6579 39.2410 176.5847 38 T 3.8659 9.0096 117.5209 62.6569 69.0143 173.2896 39 P 4.4572 0.0000 0.0000 62.5131 33.4432 177.3252 40 M 4.1149 8.6730 120.7088 58.6705 31.9140 178.7610 41 E 3.9986 8.2029 118.9933 59.2384 29.7760 178.5368 42 F 4.2282 8.1423 120.3827 61.0664 39.5889 177.2152 43 V 3.6415 7.8766 117.5931 66.0743 31.3486 178.1190 44 I 3.7363 7.8353 119.5900 64.2418 36.8815 177.7341 45 D 4.3049 8.1802 118.9291 57.5085 40.9799 178.5055 46 V 3.7217 7.7740 118.7056 66.2325 31.3730 178.0135 47 L 4.4793 8.1211 118.6327 57.8116 41.0422 179.5575 48 Q 4.3182 8.2883 119.4854 58.0597 28.5995 178.4222 49 K 3.6068 8.1287 119.7942 58.8549 32.3365 178.0879 50 F 4.4601 7.8589 114.4439 57.1908 39.6478 176.1349 51 F 4.7320 7.4406 114.2941 56.0371 40.8264 174.7210 52 S 3.8219 7.7570 114.8964 59.6288 60.8744 171.8604 53 Y 4.4923 7.5504 117.3545 57.4962 38.6940 175.4171 54 D 4.7470 8.5086 122.8309 52.4347 42.1947 177.5126 55 V 3.5927 8.3323 118.6116 66.2722 31.4046 177.2983 56 E 3.8910 8.1456 118.1417 59.5429 29.6229 178.6978 57 R 3.8361 8.6748 118.6596 59.2383 30.0736 178.3064 58 A 3.8656 8.1602 120.7291 55.3035 18.3399 179.7897 59 T 3.8191 8.0047 114.3696 66.6984 68.5124 176.9865 60 Q 3.9789 7.9053 119.6148 59.0622 28.7958 178.8891 61 L 3.9139 7.7746 119.9086 57.8535 41.5629 179.2337 62 M 4.0130 8.1781 118.2566 58.7327 32.0931 178.3458 63 L 3.9735 8.1286 118.8783 57.6114 41.7191 179.3751 64 A 4.0608 8.0925 120.9080 55.0362 18.3071 179.8225 65 V 3.5100 7.9133 116.7964 66.3045 31.3955 177.5837 66 H 3.8766 8.0004 116.5632 59.6262 29.7583 176.3650 67 Y 4.4443 7.9732 116.8948 60.5233 38.1331 177.2997 68 Q 4.3392 8.5810 117.0942 56.3344 29.4325 176.5504 69 G 4.0804 9.8317 109.3636 45.2045 0.0000 173.2815 70 K 4.7656 7.3306 114.4955 56.3106 34.8512 174.0269 71 A 4.7081 8.2587 120.7859 50.6273 23.0935 175.4294 72 I 4.3099 8.2610 121.7602 61.3977 37.2538 175.8954 73 C 4.1797 9.4032 126.2204 61.7040 29.0901 173.8113 74 G 3.9376 7.2440 103.9185 45.9411 0.0000 172.2709 75 V 4.9365 7.7142 119.3412 61.0205 33.7646 174.4037 76 F 5.2223 9.3817 125.8347 55.5648 44.1669 174.3603 77 T 4.3315 8.7123 109.2128 61.4837 69.5565 175.0461 78 A 3.6959 8.3373 124.6849 55.5130 17.7399 179.8729 79 E 3.7986 8.0978 116.9755 59.4926 29.6854 179.1103 80 V 3.5252 7.8532 118.0320 65.7230 31.5462 177.7473 81 A 3.9456 8.4235 121.0389 55.2281 18.3854 179.0738 82 E 3.7721 8.1063 117.6877 59.7737 29.5957 179.3453 83 T 3.8003 7.4636 114.5213 66.4989 68.4975 176.9335 84 K 3.6694 8.0326 120.6832 59.3375 32.0024 179.4539 85 V 3.5569 7.9162 118.2781 66.0628 31.4330 177.9857 86 A 3.9553 7.8171 120.0788 55.2776 18.1786 179.5703 87 M 3.8246 7.9921 117.2950 58.3407 31.9725 179.1563 88 V 2.9531 7.4562 118.3449 65.9856 31.7604 177.8482 89 N 4.3743 8.1947 116.2227 56.1212 38.2233 177.3971 90 K 3.9707 8.0827 121.1987 59.6195 32.3492 178.3051 91 Y 4.4066 8.1396 119.7022 60.6788 38.6649 177.9209 92 A 4.1908 8.4884 121.9037 55.0769 18.4990 179.5022 93 R 3.7567 8.0734 117.1985 59.8086 29.9844 178.6666 94 E 3.9563 8.2575 117.0240 58.8043 29.4397 178.0917 95 N 4.4868 7.3722 113.4340 51.7602 39.0371 174.5976 96 E 3.6490 7.8867 118.6954 57.9398 27.7028 174.0567 97 H 4.9202 7.9899 114.9605 53.4775 31.3367 172.9690 98 P 4.6788 0.0000 0.0000 62.7782 31.4148 175.8344 99 L 4.1785 7.5375 121.3385 55.6922 42.1624 175.6411 100 L 4.5991 8.5718 128.8413 53.8612 43.6947 174.2079 101 C 5.3538 9.1854 127.5762 57.9874 33.5191 172.6431 102 T 5.0073 9.1139 115.5404 59.9848 72.6195 172.0342 103 L 5.8340 8.3022 120.3244 53.3536 44.0892 175.2896 104 E 4.8577 8.6395 118.3021 54.6388 33.1605 174.2274 105 K 3.2604 8.5307 125.2699 56.1251 32.7878 176.7047 106 A 4.1566 8.3369 125.8994 52.2285 17.8863 177.2081 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 7 W 8.27 4.76 0.00 3.28 3.03 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 8 L 6.37 4.01 0.00 0.44 0.52 0.44 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.57 4.68 0.00 2.67 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 10 F 8.50 4.32 0.00 3.14 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 11 D 7.61 4.99 0.00 2.80 2.79 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 12 Q 7.27 4.89 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.63 6.98 0.00 0.00 0.00 0.00 0.00 2.13 2.31 0.00 13 L 8.39 3.79 0.00 1.65 1.35 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 *20 D 8.85 4.47 0.00 2.69 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 21 A 8.48 4.19 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 22 L 8.27 4.75 0.00 1.63 1.59 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.26 4.66 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.42 7.81 24 P 0.00 4.49 0.00 2.06 2.00 0.00 3.69 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 2.04 2.11 0.00 25 P 0.00 4.45 0.00 2.10 2.05 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 26 S 8.48 4.55 0.00 3.71 3.65 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 27 M 8.48 4.91 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 28 Y 9.55 5.10 0.00 2.90 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 29 K 9.33 4.75 0.00 1.71 1.76 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.38 7.81 30 V 9.21 4.87 2.51 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 1.26 0.00 0.00 1.25 0.00 0.00 31 I 9.30 5.07 1.92 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 1.25 0.75 0.95 0.00 0.00 32 L 8.67 4.95 0.00 1.58 1.57 1.01 0.61 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 33 V 8.46 4.60 2.19 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 0.74 0.00 0.00 1.00 0.00 0.00 34 N 8.93 4.82 0.00 2.96 2.72 0.00 0.00 6.95 8.63 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 35 D 8.32 4.76 0.00 3.02 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 36 D 8.57 4.62 0.00 2.31 2.49 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 37 Y 8.10 4.41 0.00 3.00 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 38 T 9.01 3.87 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 39 P 0.00 4.46 0.00 2.22 1.99 0.00 3.32 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 2.05 2.15 0.00 40 M 8.67 4.11 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 41 E 8.20 4.00 0.00 2.08 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 2.46 2.42 0.00 42 F 8.14 4.23 0.00 3.20 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 43 V 7.88 3.64 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 1.01 0.00 0.00 1.10 0.00 0.00 44 I 7.84 3.74 2.05 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 1.41 0.84 0.93 0.00 0.00 45 D 8.18 4.30 0.00 2.90 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 46 V 7.77 3.72 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 1.36 0.00 0.00 0.81 0.00 0.00 47 L 8.12 4.48 0.00 2.00 1.95 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.29 4.32 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 49 K 8.13 3.61 0.00 1.31 1.30 0.00 0.72 0.00 0.00 0.86 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.69 7.81 50 F 7.86 4.46 0.00 2.75 2.36 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 51 F 7.44 4.73 0.00 3.35 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 52 S 7.76 3.82 0.00 3.92 3.88 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 53 Y 7.55 4.49 0.00 3.18 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 54 D 8.51 4.75 0.00 2.99 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 55 V 8.33 3.59 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 1.04 0.00 0.00 1.00 0.00 0.00 56 E 8.15 3.89 0.00 2.08 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 2.52 2.37 0.00 57 R 8.67 3.84 0.00 1.97 2.02 0.00 3.06 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.12 0.00 58 A 8.16 3.87 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 59 T 8.00 3.82 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 1.21 0.00 0.00 60 Q 7.91 3.98 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 61 L 7.77 3.91 0.00 1.62 1.55 0.78 -0.07 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 62 M 8.18 4.01 0.00 2.19 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 2.77 2.74 0.00 63 L 8.13 3.97 0.00 1.98 1.90 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.09 4.06 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 65 V 7.91 3.51 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 1.00 0.00 0.00 0.94 0.00 0.00 66 H 8.00 3.88 0.00 3.14 3.10 0.00 5.99 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 67 Y 7.97 4.44 0.00 3.02 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 68 Q 8.58 4.34 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.50 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 69 G 9.83 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.33 4.77 0.00 1.91 1.75 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.38 7.81 71 A 8.26 4.71 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 72 I 8.26 4.31 1.86 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 1.35 0.58 0.93 0.00 0.00 73 C 9.40 4.18 0.00 2.37 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 0.00 0.00 0.00 74 G 7.24 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.71 4.94 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 0.82 0.00 0.00 0.87 0.00 0.00 76 F 9.38 5.22 0.00 3.04 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 77 T 8.71 4.33 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 1.29 0.00 0.00 78 A 8.34 3.70 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 79 E 8.10 3.80 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 80 V 7.85 3.53 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 81 A 8.42 3.95 1.50 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 82 E 8.11 3.77 0.00 1.99 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 2.23 2.28 0.00 83 T 7.46 3.80 4.25 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 1.12 0.00 0.00 84 K 8.03 3.67 0.00 1.52 1.58 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.28 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.05 1.06 7.81 85 V 7.92 3.56 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 1.05 0.00 0.00 1.05 0.00 0.00 86 A 7.82 3.96 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 87 M 7.99 3.82 0.00 1.73 1.90 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 88 V 7.46 2.95 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 1.13 0.00 0.00 0.77 0.00 0.00 89 N 8.19 4.37 0.00 2.83 2.86 0.00 0.00 6.72 7.00 0.00 0.00 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 K 8.08 3.97 0.00 1.94 1.94 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.46 7.81 91 Y 8.14 4.41 0.00 3.23 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 92 A 8.49 4.19 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.76 0.00 2.05 2.12 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 94 E 8.26 3.96 0.00 2.06 1.97 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 2.35 2.47 0.00 95 N 7.37 4.49 0.00 2.29 2.31 0.00 0.00 7.05 8.18 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 96 E 7.89 3.65 0.00 1.89 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 2.13 2.13 0.00 97 H 7.99 4.92 0.00 2.77 2.96 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.68 0.00 2.15 1.96 0.00 3.78 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.83 0.00 99 L 7.54 4.18 0.00 1.75 1.87 1.07 1.45 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 0.00 100 L 8.57 4.60 0.00 1.84 1.56 0.94 0.83 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 0.00 101 C 9.19 5.35 0.00 3.08 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 0.00 102 T 9.11 5.01 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 103 L 8.30 5.83 0.00 1.93 1.77 0.99 0.46 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 0.00 104 E 8.64 4.86 0.00 2.09 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 2.27 2.36 0.00 105 K 8.53 3.26 0.00 1.46 1.45 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.55 1.16 7.81 106 A 8.34 4.16 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 * Residues marked with a * may have inaccurate shift predictions.