NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 125 N 4.6583 8.2785 119.2087 53.2110 40.2300 174.7390 126 A 3.8533 8.7324 128.3378 54.2822 18.3817 177.1631 127 L 3.9646 8.2700 118.6026 58.5422 42.5038 177.3119 128 V 3.6544 8.1578 117.9020 66.3593 31.4166 177.6252 129 E 3.9822 8.3519 118.6737 59.2378 29.4407 178.3503 130 D 4.3814 8.7986 119.2816 57.5420 40.9234 178.6489 131 F 3.9271 8.6404 118.1500 60.9411 38.9946 177.8043 132 E 4.5838 8.6949 119.5684 58.6991 29.0019 179.4546 133 R 3.8981 7.9325 118.1920 59.5612 30.2921 178.1894 134 E 4.1271 8.0947 117.1897 59.2512 29.5803 178.8846 135 L 4.2770 8.4489 117.9279 54.8612 41.9827 177.1467 136 G 4.1635 7.8606 107.0255 46.0755 0.0000 173.9432 137 R 4.2289 7.1937 125.5058 55.9304 34.5703 176.6171 *139 L 4.3154 8.6802 114.7923 53.9987 42.6297 176.9758 140 S 4.3091 8.3509 117.5217 57.5012 64.9456 173.6077 141 P 4.1095 0.0000 0.0000 66.0741 30.9779 178.9354 142 F 4.2312 7.8769 115.7276 60.5451 38.8089 177.4931 143 E 3.3894 8.2737 118.5067 59.0223 29.1077 179.1502 144 L 3.9177 8.1505 119.4430 57.9802 41.6458 179.3654 145 E 3.9409 8.4641 119.3832 59.1894 29.5398 178.4697 146 D 4.4386 8.6239 119.4890 57.3078 40.9498 178.4626 147 L 3.9617 8.4610 121.1327 58.3040 42.0164 178.8603 148 Q 3.9905 8.0403 117.8807 58.9909 28.6095 179.1569 149 K 3.9582 8.2735 119.5789 59.7920 32.1571 179.3701 150 T 3.8557 8.0302 109.9370 64.8503 68.0065 176.5372 151 V 4.3161 7.6856 122.2426 65.6622 31.5846 177.9247 152 S 4.2731 8.4214 115.4660 61.1510 62.6187 176.2131 153 D 4.3852 7.9110 120.9610 57.7879 40.7624 177.7528 154 D 4.5858 8.2124 115.1718 53.7264 41.1948 176.4814 155 K 3.9723 7.2842 117.2744 56.7896 30.2171 175.7710 156 T 4.4249 7.9309 115.9257 61.9970 69.3927 174.3903 157 D 4.5535 8.6772 126.7055 54.1933 41.6358 175.5402 158 P 4.3552 0.0000 0.0000 66.2350 30.9278 177.8182 159 D 4.4408 8.4566 117.9655 56.1739 40.7902 178.3930 160 L 3.9173 7.7951 121.6636 57.8589 42.1308 178.7436 161 V 3.6767 7.8926 117.8064 66.3070 31.5024 177.7303 162 R 3.9526 8.3230 118.6206 59.5097 29.9210 178.4572 163 S 4.4792 8.2481 113.3528 60.7165 63.1135 176.3376 164 A 3.8537 8.2343 125.2991 54.7954 17.9965 179.2638 165 L 3.5901 7.8914 118.8452 58.1292 42.0807 178.7947 166 R 3.5218 8.1828 119.0227 59.6595 29.8536 177.9490 167 E 3.7917 8.1426 118.3977 58.9973 29.5683 178.6268 168 A 4.1000 8.0692 120.9133 55.0999 18.5200 179.4812 169 V 3.6089 7.7264 118.3163 65.7529 31.3554 178.3986 170 F 4.5967 8.2193 115.5919 60.1404 38.7869 176.5647 171 N 4.7270 8.1099 114.2853 52.7688 38.6878 175.6560 172 G 3.8343 7.9043 108.2715 46.3449 0.0000 174.6612 173 K 4.3445 7.6319 115.0841 55.0430 31.7965 179.0563 174 T 4.2972 7.2364 117.4882 62.2232 67.9969 173.8129 175 N 5.2235 7.8175 122.2161 49.3994 42.1492 174.4890 176 W 4.4543 9.0880 132.3678 61.3476 30.6277 178.0589 177 N 4.3638 8.4535 115.4136 56.4297 38.0830 176.5464 178 Y 3.8981 8.0439 120.3319 60.7181 38.9109 177.9905 179 I 3.5354 7.6473 120.3232 64.6209 37.1937 178.3765 180 Q 3.7127 7.6790 118.3643 58.7636 28.4230 178.8191 181 A 3.7699 8.0827 122.0972 55.0006 18.3354 179.5590 182 I 2.9598 7.1412 118.1430 64.4086 37.0780 178.5625 183 L 3.9173 7.3871 119.4559 57.8177 41.4097 179.9470 184 R 3.7884 7.9182 118.0170 59.0806 30.1369 178.4559 185 N 4.1615 8.2026 117.2400 56.5272 38.8749 176.8722 186 W 4.5731 7.7875 120.2026 59.9562 29.1695 178.4503 187 R 4.0925 8.5593 119.0329 59.8397 29.2192 178.1813 188 H 4.3431 8.1312 115.3081 58.4640 28.6793 176.4734 189 E 4.5614 7.6957 116.9002 55.7448 29.5211 177.1714 190 G 3.8585 7.9759 106.4620 45.8393 0.0000 173.9708 191 I 4.3349 7.6923 121.4260 60.3172 37.3451 175.7641 192 S 4.7344 10.4357 120.0822 57.5482 64.1047 173.6578 193 T 4.9314 7.6033 110.6931 58.9449 71.9274 174.5288 194 L 3.7840 8.7433 124.6103 58.1758 42.0702 179.0893 195 R 3.8159 8.0278 118.2631 59.9447 29.5813 178.0478 196 Q 4.0190 7.4463 115.8844 58.9100 28.7846 178.6634 197 V 3.6404 6.8469 116.0984 62.3776 31.6239 175.7659 198 E 4.1804 7.8696 117.9765 57.6156 30.4875 174.2547 199 E 4.0659 8.4832 125.5262 56.4772 29.7099 176.1801 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 125 N 8.28 4.66 0.00 2.75 2.80 0.00 0.00 6.96 6.86 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 0.00 126 A 8.73 3.85 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 0.00 127 L 8.27 3.96 0.00 1.85 1.97 1.14 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.16 3.65 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 1.07 0.00 0.00 0.97 0.00 0.00 129 E 8.35 3.98 0.00 2.13 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 0.00 2.35 2.39 0.00 130 D 8.80 4.38 0.00 2.98 2.69 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 0.00 131 F 8.64 3.93 0.00 3.36 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 0.00 132 E 8.69 4.58 0.00 2.08 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 2.62 2.45 0.00 133 R 7.93 3.90 0.00 1.91 2.13 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 134 E 8.09 4.13 0.00 1.91 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 2.45 2.38 0.00 135 L 8.45 4.28 0.00 1.80 1.83 1.35 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 G 7.86 4.16 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 0.00 137 R 7.19 4.23 0.00 1.96 1.25 0.00 3.02 0.00 0.00 3.37 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 *139 L 8.68 4.32 0.00 1.65 1.56 0.92 0.99 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 0.00 140 S 8.35 4.31 0.00 4.05 3.89 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 0.00 141 P 0.00 4.11 0.00 1.75 1.90 0.00 3.53 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 142 F 7.88 4.23 0.00 2.92 2.93 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 0.00 143 E 8.27 3.39 0.00 1.65 1.12 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 1.47 1.67 0.00 144 L 8.15 3.92 0.00 1.69 1.67 0.90 0.80 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 0.00 145 E 8.46 3.94 0.00 1.95 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 2.35 2.36 0.00 146 D 8.62 4.44 0.00 3.14 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 0.00 147 L 8.46 3.96 0.00 2.04 1.65 0.58 0.21 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 0.00 148 Q 8.04 3.99 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 149 K 8.27 3.96 0.00 2.07 1.89 0.00 1.70 0.00 0.00 1.96 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.48 7.81 150 T 8.03 3.86 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 1.35 0.00 0.00 151 V 7.69 4.32 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 1.09 0.00 0.00 0.98 0.00 0.00 152 S 8.42 4.27 0.00 3.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 7.91 4.39 0.00 2.85 2.75 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 0.00 154 D 8.21 4.59 0.00 2.88 2.72 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 0.00 155 K 7.28 3.97 0.00 1.86 1.90 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.50 7.81 156 T 7.93 4.42 4.34 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 1.27 0.00 0.00 157 D 8.68 4.55 0.00 2.68 2.58 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 0.00 158 P 0.00 4.36 0.00 2.33 2.35 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 159 D 8.46 4.44 0.00 2.73 2.75 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 0.00 160 L 7.80 3.92 0.00 1.82 1.85 0.41 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 161 V 7.89 3.68 2.35 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 1.18 0.00 0.00 0.99 0.00 0.00 162 R 8.32 3.95 0.00 1.98 2.17 0.00 3.16 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 1.62 1.63 0.00 163 S 8.25 4.48 0.00 4.16 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 0.00 164 A 8.23 3.85 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 0.00 165 L 7.89 3.59 0.00 1.18 1.65 0.36 0.10 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 0.00 166 R 8.18 3.52 0.00 1.73 1.87 0.00 3.02 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 167 E 8.14 3.79 0.00 2.24 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 2.32 2.41 0.00 168 A 8.07 4.10 1.49 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 0.00 0.00 169 V 7.73 3.61 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 1.26 0.00 0.00 0.93 0.00 0.00 170 F 8.22 4.60 0.00 3.06 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 0.00 171 N 8.11 4.73 0.00 2.88 2.76 0.00 0.00 7.02 7.74 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 0.00 172 G 7.90 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 0.00 0.00 0.00 0.00 173 K 7.63 4.34 0.00 0.79 0.74 0.00 1.48 0.00 0.00 1.04 0.00 0.00 2.63 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.09 0.76 7.81 174 T 7.24 4.30 4.22 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 1.19 0.00 0.00 175 N 7.82 5.22 0.00 2.94 2.88 0.00 0.00 5.72 8.88 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 0.00 176 W 9.09 4.45 0.00 3.52 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 0.00 177 N 8.45 4.36 0.00 2.88 2.92 0.00 0.00 6.63 7.48 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 0.00 178 Y 8.04 3.90 0.00 3.15 3.01 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 0.00 0.00 0.00 179 I 7.65 3.54 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.52 0.78 0.00 0.00 180 Q 7.68 3.71 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.52 2.11 0.00 181 A 8.08 3.77 1.10 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 0.00 182 I 7.14 2.96 1.42 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.01 -0.46 0.00 0.00 183 L 7.39 3.92 0.00 1.71 1.68 0.85 1.16 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 0.00 184 R 7.92 3.79 0.00 1.80 1.76 0.00 3.07 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 185 N 8.20 4.16 0.00 2.54 2.64 0.00 0.00 7.26 7.69 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 0.00 186 W 7.79 4.57 0.00 3.58 3.09 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 0.00 187 R 8.56 4.09 0.00 1.95 2.05 0.00 3.11 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 188 H 8.13 4.34 0.00 3.42 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 7.70 4.56 0.00 2.21 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 2.36 2.48 0.00 190 G 7.98 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 0.00 191 I 7.69 4.33 2.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.72 0.00 0.00 192 S 10.44 4.73 0.00 3.82 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 0.00 193 T 7.60 4.93 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 1.19 0.00 0.00 194 L 8.74 3.78 0.00 1.77 1.64 0.92 0.77 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 0.00 195 R 8.03 3.82 0.00 1.87 1.89 0.00 3.21 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 196 Q 7.45 4.02 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 197 V 6.85 3.64 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 0.24 0.00 0.00 -0.10 0.00 0.00 198 E 7.87 4.18 0.00 1.90 2.24 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 2.12 2.08 0.00 199 E 8.48 4.07 0.00 1.90 1.78 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 2.27 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.