NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3243 8.2644 123.5805 52.4340 19.7766 175.9958 2 S 4.2055 8.1888 110.0001 56.6626 64.0023 172.0319 3 A 3.7446 7.9649 128.1296 50.2317 17.0061 177.7572 4 A 5.5544 7.3252 132.7148 51.8987 21.6346 177.6874 5 K 4.4736 6.6888 116.6055 56.3424 31.7612 176.2402 6 G 3.7235 9.1768 122.4626 47.9397 0.0000 176.7010 7 D 3.3700 8.0720 114.6013 51.6534 44.1428 175.0197 8 H 3.8827 9.2447 117.3402 57.0814 28.4474 176.7086 9 G 3.7548 8.7677 107.4577 46.5689 0.0000 173.7602 10 G 3.7162 6.9214 104.3431 45.9329 0.0000 170.5249 *12 G 3.8597 7.6280 107.0673 45.3703 0.0000 172.8756 13 A 4.1441 8.6111 119.3280 55.3297 18.2788 179.9839 14 R 3.9502 8.0496 116.7734 59.8279 30.2284 178.7965 15 T 3.9403 7.8834 115.1785 66.4876 68.5886 176.6358 16 W 4.0587 8.1775 120.3493 59.1858 29.0062 178.6178 17 R 3.9587 8.1350 118.9762 58.9414 29.4790 178.0511 18 F 4.3012 8.3263 120.6520 61.5333 39.3091 177.2040 19 L 3.9498 8.0917 118.5213 57.8483 41.3428 179.6023 20 T 3.7800 7.9524 115.7095 66.7247 68.2124 176.4870 21 F 5.0333 8.1209 117.5696 59.2061 39.3096 177.5859 22 G 4.1133 8.6176 104.2038 45.1832 0.0000 173.4010 23 L 4.5061 7.6778 119.8210 56.1741 44.0586 177.6850 24 A 3.9761 8.1853 120.3219 55.4426 18.1859 179.5168 25 L 3.9761 8.6099 116.8131 57.4500 41.7535 178.1509 26 P 4.2777 0.0000 0.0000 65.6888 31.2817 178.8034 27 S 4.0987 8.1455 114.1080 61.5964 62.7416 176.9283 28 V 3.5759 7.8158 120.7970 65.6847 31.2051 178.0316 29 A 3.9829 8.2451 121.0362 54.9888 18.1792 179.5846 30 L 3.8852 8.1170 117.6717 58.3442 41.6883 179.6907 31 C 4.1173 8.1081 116.4253 63.0011 27.9771 176.3587 32 T 3.5117 7.8886 117.5193 65.9087 67.7036 176.7026 33 L 3.9195 7.4875 121.8157 58.1084 42.5265 177.9524 34 N 4.2965 8.3521 117.3034 56.9202 38.5945 176.9778 35 S 4.0241 8.0588 116.4068 60.9637 63.6360 175.6145 36 W 5.2797 7.7922 121.0099 55.4007 26.8778 175.2734 37 L 4.7800 7.4022 121.9657 57.0842 49.3218 175.5796 38 H 4.7814 8.2290 113.2356 56.6373 30.1812 177.3792 39 S 4.5247 7.5501 113.7828 56.7082 62.0424 174.6992 40 G 3.6879 9.2828 115.9132 44.7514 0.0000 172.2949 41 H 4.0980 8.8271 122.0623 56.3343 28.8867 175.3052 42 R 4.1389 8.4554 123.8968 54.9485 30.8055 175.6304 43 E 3.8215 8.9139 123.0027 56.1605 29.4861 176.9146 44 R 4.0166 8.5501 123.4654 55.5488 29.7882 174.9451 45 P 4.4156 0.0000 0.0000 62.1135 32.0276 175.9549 46 A 4.2099 8.5339 122.9375 52.5999 18.8436 177.2023 47 F 4.5733 8.8854 123.5907 57.9050 40.2354 175.1194 48 I 3.9565 7.1342 127.1257 58.8737 40.4556 175.1605 49 P 4.1405 0.0000 0.0000 61.6210 30.1120 176.7597 50 Y 4.2495 7.2194 116.3749 58.9566 38.6689 178.0355 51 H 4.4994 9.0305 120.3034 57.7908 29.2232 175.6996 52 H 4.7510 8.3477 113.5019 55.1992 28.8298 173.9946 53 L 4.7356 7.0740 118.0202 53.1154 45.1572 175.6963 54 R 3.8023 8.6137 115.5863 57.2052 27.6013 177.4080 55 I 3.8161 7.6124 116.6634 61.8457 37.8723 177.4108 56 R 4.2803 8.1557 123.3102 55.2505 31.4553 174.4068 57 T 4.3286 7.9384 112.2046 61.6375 70.3186 175.3721 58 K 4.3581 7.2257 121.4195 54.1740 35.0572 173.1689 59 P 4.2071 0.0000 0.0000 62.2703 32.1490 176.2584 60 F 3.8568 7.9796 119.3811 57.7313 39.1128 176.1423 61 S 4.3511 8.0976 118.8520 58.3678 62.6268 173.8004 62 W 5.3297 7.5825 117.1446 55.2754 31.9731 175.9899 63 G 3.7046 8.5476 108.2176 47.4134 0.0000 174.0623 64 D 4.5673 8.9025 124.1608 52.8700 39.8239 177.7028 65 G 3.8040 8.4417 108.4892 46.0240 0.0000 174.3067 66 N 4.9444 8.6474 116.1342 53.2068 40.0396 173.4275 67 H 4.8651 7.9926 114.4950 54.4421 30.8089 174.5011 68 T 3.5126 8.3779 114.0664 61.0586 69.4524 173.9384 69 F 3.3482 8.9778 124.6271 60.7842 39.3947 176.6096 70 F 4.8419 7.6683 116.9793 56.4948 39.2246 175.7144 71 H 4.0543 8.2379 119.9530 56.5486 30.4885 173.4165 72 N 4.8220 9.3242 125.9255 51.0286 39.6136 172.6745 73 P 4.3966 0.0000 0.0000 65.7536 31.7040 178.1510 74 R 4.0307 8.0295 117.2049 58.5678 30.0085 177.3485 75 V 4.4419 7.7666 107.2103 60.6921 33.7140 174.9795 76 N 4.8171 8.5622 118.0652 50.6211 38.3282 172.9448 77 P 4.1374 0.0000 0.0000 61.9860 32.3266 176.2781 78 L 4.4104 7.7739 120.1361 52.8812 42.8327 176.2341 79 P 4.2837 0.0000 0.0000 65.6684 31.1310 177.6493 80 T 4.2915 7.5604 105.4969 60.8247 69.3587 173.0666 81 G 2.0000 7.2467 108.8715 43.4849 0.0000 173.2127 82 Y 4.3606 7.5006 116.2557 57.9430 38.2978 176.4168 83 E 4.4032 8.4822 121.5028 55.1342 30.8881 177.1199 84 K 4.0890 8.5798 118.5882 57.1593 32.0663 177.1510 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 A 8.26 4.32 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 2 S 8.19 4.21 0.00 3.82 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 3 A 7.96 3.74 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 4 A 7.33 5.55 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 5 K 6.69 4.47 0.00 1.60 0.74 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.30 7.81 6 G 9.18 3.72 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 0.00 0.00 0.00 7 D 8.07 3.37 0.00 2.63 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 0.00 0.00 0.00 0.00 8 H 9.24 3.88 0.00 3.50 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.77 3.75 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 0.00 0.00 0.00 10 G 6.92 3.72 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 0.00 0.00 0.00 *12 G 7.63 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 0.00 0.00 0.00 13 A 8.61 4.14 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 14 R 8.05 3.95 0.00 1.94 1.99 0.00 3.21 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 15 T 7.88 3.94 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 0.78 0.00 0.00 16 W 8.18 4.06 0.00 3.47 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 17 R 8.14 3.96 0.00 2.10 2.18 0.00 3.22 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 18 F 8.33 4.30 0.00 3.32 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.09 3.95 0.00 1.77 1.59 -0.09 0.21 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 20 T 7.95 3.78 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 0.72 0.00 0.00 21 F 8.12 5.03 0.00 3.11 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 22 G 8.62 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 0.00 0.00 0.00 0.00 23 L 7.68 4.51 0.00 1.64 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 24 A 8.19 3.98 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 25 L 8.61 3.98 0.00 1.85 1.84 1.14 1.12 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 26 P 0.00 4.28 0.00 2.19 2.13 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 27 S 8.15 4.10 0.00 4.07 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 28 V 7.82 3.58 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 0.98 0.00 0.00 0.98 0.00 0.00 29 A 8.25 3.98 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 30 L 8.12 3.89 0.00 1.83 1.71 0.92 1.19 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 31 C 8.11 4.12 0.00 2.89 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 32 T 7.89 3.51 4.30 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 1.03 0.00 0.00 33 L 7.49 3.92 0.00 1.86 1.86 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.35 4.30 0.00 2.69 2.84 0.00 0.00 7.34 7.19 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 35 S 8.06 4.02 0.00 3.41 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 36 W 7.79 5.28 0.00 3.33 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 37 L 7.40 4.78 0.00 1.82 1.85 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.23 4.78 0.00 3.22 3.37 0.00 5.72 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 39 S 7.55 4.52 0.00 4.14 3.44 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 40 G 9.28 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 41 H 8.83 4.10 0.00 3.13 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.46 4.14 0.00 1.84 1.88 0.00 3.27 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 43 E 8.91 3.82 0.00 1.93 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 2.29 2.28 0.00 44 R 8.55 4.02 0.00 1.96 1.89 0.00 2.42 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.31 0.00 45 P 0.00 4.42 0.00 2.33 2.19 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 46 A 8.53 4.21 1.34 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 0.00 0.00 47 F 8.89 4.57 0.00 2.99 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.13 3.96 1.30 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 -0.15 0.00 0.00 49 P 0.00 4.14 0.00 1.83 1.94 0.00 3.25 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 50 Y 7.22 4.25 0.00 2.91 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 51 H 9.03 4.50 0.00 3.22 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.35 4.75 0.00 3.28 3.39 0.00 5.47 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.07 4.74 0.00 1.66 1.60 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.61 3.80 0.00 1.93 2.00 0.00 3.34 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 55 I 7.61 3.82 1.90 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 1.44 0.76 0.89 0.00 0.00 56 R 8.16 4.28 0.00 1.66 1.68 0.00 3.17 0.00 0.00 3.01 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 57 T 7.94 4.33 4.19 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 1.18 0.00 0.00 58 K 7.23 4.36 0.00 1.59 1.52 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.31 7.81 59 P 0.00 4.21 0.00 2.08 1.91 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 60 F 7.98 3.86 0.00 2.32 1.45 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 0.00 61 S 8.10 4.35 0.00 4.16 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 62 W 7.58 5.33 0.00 3.42 3.32 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 63 G 8.55 3.70 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 0.00 0.00 0.00 64 D 8.90 4.57 0.00 2.81 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 65 G 8.44 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 0.00 0.00 0.00 66 N 8.65 4.94 0.00 2.61 2.85 0.00 0.00 6.98 7.92 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 67 H 7.99 4.87 0.00 3.14 3.15 0.00 5.96 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.38 3.51 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 1.35 0.00 0.00 69 F 8.98 3.35 0.00 2.53 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 0.00 0.00 0.00 0.00 70 F 7.67 4.84 0.00 3.11 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 71 H 8.24 4.05 0.00 3.31 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 9.32 4.82 0.00 2.70 2.82 0.00 0.00 6.77 7.47 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 73 P 0.00 4.40 0.00 2.10 2.19 0.00 3.74 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 2.20 0.00 74 R 8.03 4.03 0.00 1.80 1.97 0.00 3.30 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 75 V 7.77 4.44 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 0.83 0.00 0.00 0.97 0.00 0.00 76 N 8.56 4.82 0.00 2.62 2.82 0.00 0.00 6.99 8.02 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 77 P 0.00 4.14 0.00 1.48 0.49 0.00 3.76 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 1.94 1.81 0.00 78 L 7.77 4.41 0.00 1.71 1.56 0.87 0.76 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 79 P 0.00 4.28 0.00 2.04 2.15 0.00 3.63 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 2.16 2.12 0.00 80 T 7.56 4.29 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 1.21 0.00 0.00 81 G 7.25 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 82 Y 7.50 4.36 0.00 2.92 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 83 E 8.48 4.40 0.00 2.04 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 2.32 2.36 0.00 84 K 8.58 4.09 0.00 1.73 1.75 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.