NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2737 8.3144 119.9991 56.6538 33.9602 174.1178 3 K 4.2746 7.7992 117.6364 55.5135 34.8349 171.8363 4 A 4.7097 8.5787 127.6856 50.3116 21.7391 175.4825 5 V 4.5293 8.4043 122.5703 61.3071 33.4571 175.2578 6 I 4.0730 8.5874 130.9909 59.7703 38.2511 175.4809 7 N 4.4784 8.5768 127.7542 52.2333 38.1945 175.7313 8 G 3.3298 8.8394 117.2015 48.0208 0.0000 174.0756 9 E 3.8624 7.7649 119.3613 58.8676 29.6057 177.4771 10 Q 4.3030 7.6753 114.9836 55.8152 29.3846 175.8285 11 I 3.9460 7.0279 119.8382 61.4689 37.3495 176.2648 12 R 4.1032 10.0084 127.1510 58.7918 30.4435 177.0405 13 S 4.5974 7.4229 110.4667 56.1011 67.1116 174.7621 14 I 3.7367 8.2836 120.8082 64.3814 37.6687 177.7202 15 S 4.2160 8.0842 115.6038 61.6854 62.7332 176.0220 16 D 4.3713 8.0475 120.4610 56.9277 40.8224 177.9652 17 L 3.9326 7.9047 120.9956 58.6291 42.0965 178.6416 18 H 4.3413 8.3244 115.9761 59.0961 28.6667 177.7175 19 Q 4.0806 8.2975 119.7140 59.4597 28.5333 179.2217 20 T 3.9206 8.0754 116.5744 66.6299 68.3931 176.8481 21 L 4.0385 8.3133 121.3205 57.4334 41.6247 179.2569 22 K 3.6019 8.7900 120.0540 59.6212 32.3137 179.0371 23 K 3.9913 8.1651 118.4888 59.4721 31.7766 179.2971 24 E 4.1079 8.7570 118.2285 58.7457 29.4702 178.4856 25 L 4.4781 8.0504 115.6058 52.9924 42.9869 176.1732 26 A 3.7206 7.4843 119.7782 53.2188 16.3553 177.3093 27 L 4.0123 7.5219 120.6693 53.3472 42.9289 176.0875 28 P 3.7904 0.0000 0.0000 62.0970 31.3206 177.3865 29 E 3.8163 8.0764 117.5845 59.1719 29.7206 177.3052 30 Y 4.3301 7.0536 115.0389 56.9079 38.4687 174.3187 31 Y 4.1625 7.7815 122.8564 58.1723 38.7147 177.1611 32 G 3.3325 8.6135 115.5257 45.9220 0.0000 172.5186 33 E 2.8908 5.9000 119.0127 55.3325 27.2829 173.3097 34 N 4.3450 6.3485 115.2584 51.0404 41.4072 175.4165 35 L 4.1176 8.1888 120.8465 57.9546 41.5740 179.5693 36 D 4.4563 8.2604 118.4672 57.0219 40.9057 178.2901 37 A 4.0657 8.6003 121.6103 55.0968 18.4285 179.1910 38 L 4.0495 8.2645 118.8859 58.2658 42.1692 178.9359 39 W 4.1835 8.4097 128.0362 60.5217 30.6177 177.1691 40 D 4.2086 8.6509 117.9765 57.5003 40.6972 178.1084 41 A 4.0509 8.5196 121.4417 55.3064 18.1298 179.5406 42 L 4.0328 8.3179 116.7435 56.8475 41.8058 178.5731 43 T 4.4710 6.8203 108.8834 60.7071 69.6232 175.6068 44 G 4.2643 8.1846 111.5860 44.0572 0.0000 173.1213 45 W 4.9645 8.0766 128.6182 58.2665 37.8627 175.2268 46 V 3.7230 7.4867 110.8713 60.9197 31.5112 176.0062 47 E 3.8996 8.1511 123.1200 56.2433 30.1991 175.6134 48 Y 5.1013 7.8547 119.7864 55.3137 41.8735 173.2949 49 P 4.8973 0.0000 0.0000 62.8365 32.9022 175.0665 50 L 4.7185 9.0149 123.9064 53.4678 44.5597 175.0341 51 V 4.7542 8.4874 126.4638 61.2600 33.7859 173.7232 52 L 5.0279 9.3348 131.4431 53.3088 44.3295 174.4255 53 E 4.8587 9.2072 128.6423 54.6226 31.6968 174.7228 54 W 4.6866 9.1010 135.0000 56.0926 30.3435 172.9445 55 R 3.8278 8.8751 127.2451 56.8727 30.7606 176.0310 *56 Q 2.8088 8.7016 123.2288 56.6483 24.8517 171.0613 *57 F 4.5317 7.7687 118.6382 56.2848 40.6104 175.8936 *67 G 4.0866 8.2019 109.8006 45.7765 0.0000 176.1817 68 A 4.3895 7.9972 122.2857 54.5037 18.5334 179.0842 69 E 3.8602 8.3312 117.4211 59.4161 29.5054 178.6938 70 S 4.1566 8.2110 113.8463 61.9088 63.2383 176.6628 71 V 3.8581 7.5315 118.9780 65.8999 31.3853 177.6637 72 L 3.3215 7.8215 120.2364 58.1634 41.8230 178.7359 73 Q 3.9828 8.7146 119.7130 59.1344 28.7877 178.5808 74 V 3.7195 7.7873 119.4660 65.9259 31.5152 178.0556 75 F 4.1214 8.3153 117.1608 60.5971 38.8000 177.7046 76 R 4.0402 8.4154 120.2260 59.9119 29.7856 179.5927 77 E 4.1327 8.5830 118.0163 61.0030 29.7063 180.9215 78 A 4.1115 8.5356 121.9376 55.0455 18.5459 179.6743 79 K 4.1621 8.6239 119.3332 59.0582 32.0390 178.6644 80 A 4.1710 8.2987 120.1994 54.2916 18.5121 178.6768 81 E 4.1625 8.3351 117.4381 57.2613 29.8260 176.5951 82 G 3.7213 7.6457 105.5784 45.4770 0.0000 174.3511 83 A 3.3677 7.8511 123.2037 51.9066 19.5957 176.9402 84 D 4.6976 7.4986 121.6382 53.0044 40.1083 173.0740 85 I 4.9959 7.6857 120.6496 59.2751 40.0935 174.7105 86 T 4.5837 9.1271 124.4946 61.9352 70.5675 173.5253 87 I 4.8282 8.4080 127.0569 59.5589 39.6454 174.8993 88 I 4.2803 8.9377 128.5775 59.8409 39.0688 175.0680 89 L 4.5914 8.6869 130.8780 53.8385 41.3129 177.7709 *90 S 4.2704 8.2269 118.1824 58.0967 62.9859 172.5376 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 K 8.31 4.27 0.00 1.89 1.91 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.45 7.81 3 K 7.80 4.27 0.00 1.83 1.67 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.53 7.81 4 A 8.58 4.71 1.28 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 5 V 8.40 4.53 2.06 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 0.81 0.00 0.00 0.93 0.00 0.00 6 I 8.59 4.07 1.55 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.81 0.59 0.00 0.00 7 N 8.58 4.48 0.00 2.65 2.65 0.00 0.00 7.02 8.08 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 8 G 8.84 3.33 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 0.00 9 E 7.76 3.86 0.00 1.97 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 2.29 2.25 0.00 10 Q 7.68 4.30 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 11 I 7.03 3.95 1.77 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 1.30 0.48 0.91 0.00 0.00 12 R 10.01 4.10 0.00 1.84 1.98 0.00 3.18 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 13 S 7.42 4.60 0.00 4.01 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 14 I 8.28 3.74 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.34 0.96 0.00 0.00 15 S 8.08 4.22 0.00 3.93 3.92 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 0.00 0.00 0.00 16 D 8.05 4.37 0.00 2.78 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 17 L 7.90 3.93 0.00 2.03 1.75 1.14 0.91 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 18 H 8.32 4.34 0.00 3.45 3.54 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.30 4.08 0.00 2.47 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 20 T 8.08 3.92 4.44 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 1.20 0.00 0.00 21 L 8.31 4.04 0.00 1.92 1.82 1.18 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.79 3.60 0.00 2.00 2.05 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.39 7.81 23 K 8.17 3.99 0.00 1.83 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.63 7.81 24 E 8.76 4.11 0.00 1.99 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 2.56 2.51 0.00 25 L 8.05 4.48 0.00 1.67 1.70 1.18 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.48 3.72 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 27 L 7.52 4.01 0.00 1.10 0.88 -0.10 0.87 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 28 P 0.00 3.79 0.00 0.49 0.49 0.00 2.76 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.51 0.00 29 E 8.08 3.82 0.00 2.05 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 2.29 2.32 0.00 30 Y 7.05 4.33 0.00 2.99 3.10 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 31 Y 7.78 4.16 0.00 2.89 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 32 G 8.61 3.33 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 0.00 33 E 5.90 2.89 0.00 1.87 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 2.16 2.11 0.00 34 N 6.35 4.34 0.00 2.85 2.72 0.00 0.00 6.11 6.67 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 35 L 8.19 4.12 0.00 1.74 1.81 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.26 4.46 0.00 2.85 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 37 A 8.60 4.07 1.28 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 38 L 8.26 4.05 0.00 2.15 2.06 0.74 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 W 8.41 4.18 0.00 3.45 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 40 D 8.65 4.21 0.00 3.02 2.92 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 0.00 0.00 0.00 41 A 8.52 4.05 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 42 L 8.32 4.03 0.00 1.32 1.62 0.14 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 T 6.82 4.47 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 -0.09 0.00 0.00 44 G 8.18 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 0.00 0.00 0.00 0.00 45 W 8.08 4.96 0.00 3.39 3.17 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 46 V 7.49 3.72 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 0.76 0.00 0.00 0.70 0.00 0.00 47 E 8.15 3.90 0.00 1.78 1.75 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 2.23 2.21 0.00 48 Y 7.85 5.10 0.00 2.97 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 49 P 0.00 4.90 0.00 2.12 2.42 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 50 L 9.01 4.72 0.00 1.97 1.90 1.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.49 4.75 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 0.93 0.00 0.00 0.96 0.00 0.00 52 L 9.33 5.03 0.00 1.68 1.35 0.95 -0.33 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 53 E 9.21 4.86 0.00 2.07 1.81 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 2.23 2.26 0.00 54 W 9.10 4.69 0.00 3.30 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 55 R 8.88 3.83 0.00 1.90 1.76 0.00 3.38 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 *56 Q 8.70 2.81 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.42 0.00 0.00 0.00 0.00 0.00 2.21 1.90 0.00 *57 F 7.77 4.53 0.00 2.04 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 0.00 0.00 0.00 0.00 *67 G 8.20 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 0.00 0.00 0.00 68 A 8.00 4.39 1.64 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 0.00 0.00 69 E 8.33 3.86 0.00 2.15 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 2.39 2.47 0.00 70 S 8.21 4.16 0.00 4.18 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 71 V 7.53 3.86 2.57 0.00 0.00 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 0.00 0.00 1.14 0.00 0.00 72 L 7.82 3.32 0.00 0.82 1.48 0.14 0.62 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 73 Q 8.71 3.98 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 74 V 7.79 3.72 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 1.26 0.00 0.00 1.04 0.00 0.00 75 F 8.32 4.12 0.00 3.18 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 76 R 8.42 4.04 0.00 1.88 1.99 0.00 3.06 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 77 E 8.58 4.13 0.00 1.97 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 2.24 2.20 0.00 78 A 8.54 4.11 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 K 8.62 4.16 0.00 1.87 2.15 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.32 7.81 80 A 8.30 4.17 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 81 E 8.34 4.16 0.00 2.35 2.14 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 2.37 2.42 0.00 82 G 7.65 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 83 A 7.85 3.37 1.02 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 0.00 0.00 84 D 7.50 4.70 0.00 2.65 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 85 I 7.69 5.00 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 1.07 0.00 0.00 86 T 9.13 4.58 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 1.22 0.00 0.00 87 I 8.41 4.83 1.83 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 1.26 0.60 0.77 0.00 0.00 88 I 8.94 4.28 1.90 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 1.24 0.82 0.93 0.00 0.00 89 L 8.69 4.59 0.00 1.56 1.71 0.91 0.90 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 *90 S 8.23 4.27 0.00 3.70 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 * Residues marked with a * may have inaccurate shift predictions.