============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 8 0.840 61.226 -15.597 52.584 -99.200 -91.000 TYR 15 0.840 56.257 2.457 53.874 -99.200 -91.000 TYR 16 0.840 64.076 6.258 50.958 -99.200 -91.000 HIS 17 0.900 57.969 9.478 44.117 -99.200 -91.000 HIS 28 0.900 55.381 4.060 9.631 -99.200 -91.000 TYR 30 0.840 50.585 1.138 9.757 -99.200 -91.000 PHE 31 1.000 56.681 0.710 7.021 -99.200 -91.000 TYR 51 0.840 52.473 -7.837 25.359 -99.200 -91.000 PHE 54 1.000 57.657 1.309 30.710 -99.200 -91.000 HIS 57 0.900 68.295 -1.648 35.670 -99.200 -91.000 PHE 64 1.000 69.439 5.321 49.379 -99.200 -91.000 PHE 66 1.000 68.882 2.746 53.326 -99.200 -91.000 PHE 71 1.000 67.790 1.053 58.674 -99.200 -91.000 TYR 72 0.840 71.172 -3.118 57.688 -99.200 -91.000 TRP 81 1.040 65.395 -0.819 48.054 -99.200 -91.000 TRP6 81 1.020 64.450 1.009 49.122 -99.200 -91.000 HIS 101 0.900 50.176 -6.236 3.130 -99.200 -91.000 TYR 116 0.840 29.179 -19.565 -5.481 -99.200 -91.000 TYR 132 0.840 45.890 -4.590 14.340 -99.200 -91.000 HIS 149 0.900 54.832 -17.590 19.660 -99.200 -91.000 TRP 150 1.040 48.235 -21.086 19.198 -99.200 -91.000 TRP6 150 1.020 48.191 -23.281 20.031 -99.200 -91.000 PHE 186 1.000 43.132 -10.584 11.572 -99.200 -91.000 PHE 191 1.000 50.052 -12.876 12.834 -99.200 -91.000 TYR 212 0.840 46.055 -13.266 26.224 -99.200 -91.000 TYR 215 0.840 47.091 -12.461 31.888 -99.200 -91.000 TYR 223 0.840 60.693 -20.429 45.238 -99.200 -91.000 PHE 228 1.000 55.070 -8.402 42.405 -99.200 -91.000 PHE 229 1.000 48.116 -4.462 40.378 -99.200 -91.000 TYR 230 0.840 46.598 -10.951 36.628 -99.200 -91.000 PHE 237 1.000 32.534 -4.921 16.709 -99.200 -91.000 HIS 240 0.900 33.376 -4.566 6.922 -99.200 -91.000 PHE 242 1.000 37.155 -8.289 4.411 -99.200 -91.000 TYR 257 0.840 30.102 -29.792 -0.654 -99.200 -91.000 TYR 272 0.840 33.405 -18.692 5.153 -99.200 -91.000 PHE 273 1.000 40.444 -12.233 6.218 -99.200 -91.000 PHE 288 1.000 47.461 1.051 31.569 -99.200 -91.000 TYR 292 0.840 48.074 0.214 38.385 -99.200 -91.000 TRP 293 1.040 46.958 2.252 46.862 -99.200 -91.000 TRP6 293 1.020 48.918 3.544 46.857 -99.200 -91.000 HIS 300 0.900 53.431 -19.051 48.570 -99.200 -91.000 TRP 306 1.040 62.753 -12.260 45.828 -99.200 -91.000 TRP6 306 1.020 63.615 -12.123 47.995 -99.200 -91.000 PHE 311 1.000 62.205 -7.329 34.101 -99.200 -91.000 TYR 336 0.840 46.394 17.963 -3.157 -99.200 -91.000 PHE 341 1.000 50.959 19.484 -0.863 -99.200 -91.000 TYR 344 0.840 57.501 11.728 5.148 -99.200 -91.000 HIS 347 0.900 51.034 5.592 18.208 -99.200 -91.000 TYR 351 0.840 54.200 3.980 28.525 -99.200 -91.000 PHE 355 1.000 57.918 2.120 39.634 -99.200 -91.000 PHE 357 1.000 60.254 0.962 44.513 -99.200 -91.000 TYR 371 0.840 61.647 -20.123 50.814 -99.200 -91.000 HIS 373 0.900 71.860 -22.369 47.297 -99.200 -91.000 TRP 383 1.040 70.980 -9.774 49.912 -99.200 -91.000 TRP6 383 1.020 69.562 -11.545 50.452 -99.200 -91.000 TYR 391 0.840 65.241 -13.057 27.413 -99.200 -91.000 PHE 393 1.000 63.258 -7.517 29.267 -99.200 -91.000 TRP 394 1.040 62.178 2.775 28.346 -99.200 -91.000 TRP6 394 1.020 60.361 3.837 27.150 -99.200 -91.000 PHE 402 1.000 64.530 3.750 45.232 -99.200 -91.000 PHE 409 1.000 58.773 12.890 44.871 -99.200 -91.000 PHE 415 1.000 52.373 3.971 50.955 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r5hE1 ALA 20 HA 0.01 -0.07 0.20 -0.75 4.34 3.73 2r5hE1 ALA 20 HB3 0.03 -0.01 -0.02 -0.04 1.41 1.37 2r5hE1 VAL 21 H -0.04 0.14 0.13 -0.55 8.24 7.92 2r5hE1 VAL 21 HA 0.25 0.13 0.73 -0.75 4.13 4.49 2r5hE1 VAL 21 HB -0.42 0.00 0.03 -0.04 2.12 1.69 2r5hE1 VAL 21 HG13 -0.28 0.02 -0.10 -0.04 0.97 0.56 2r5hE1 VAL 21 HG23 -0.40 0.00 -0.09 -0.04 0.95 0.42 2r5hE1 VAL 22 H 0.37 0.20 0.14 -0.55 8.24 8.40 2r5hE1 VAL 22 HA 0.25 0.14 0.65 -0.75 4.13 4.42 2r5hE1 VAL 22 HB 0.12 0.01 0.02 -0.04 2.12 2.23 2r5hE1 VAL 22 HG13 0.03 0.01 -0.26 -0.04 0.97 0.70 2r5hE1 VAL 22 HG23 -0.06 0.01 -0.08 -0.04 0.95 0.78 2r5hE1 SER 23 H 0.31 0.12 0.12 -0.55 8.46 8.46 2r5hE1 SER 23 HA 0.25 0.22 0.46 -0.75 4.49 4.67 2r5hE1 SER 23 HB2 0.03 0.16 0.16 -0.04 3.95 4.26 2r5hE1 SER 23 HB3 0.09 -0.02 0.18 -0.04 3.93 4.14 2r5hE1 THR 24 H 0.15 0.54 0.28 -0.55 8.28 8.70 2r5hE1 THR 24 HA -0.85 0.07 0.49 -0.75 4.39 3.35 2r5hE1 THR 24 HB -0.32 -0.01 0.08 -0.04 4.32 4.04 2r5hE1 THR 24 HG23 0.28 0.04 0.11 -0.04 1.22 1.62 2r5hE1 ASP 25 H -0.04 0.13 -0.31 -0.55 8.40 7.63 2r5hE1 ASP 25 HA -0.07 0.13 0.41 -0.75 4.63 4.34 2r5hE1 ASP 25 HB2 -0.00 -0.06 -0.01 -0.04 2.71 2.59 2r5hE1 ASP 25 HB3 -0.01 0.02 -0.02 -0.04 2.70 2.65 2r5hE1 GLU 26 H -0.05 0.30 -0.87 -0.55 8.60 7.44 2r5hE1 GLU 26 HA 0.03 0.13 0.63 -0.75 4.29 4.33 2r5hE1 GLU 26 HB2 0.20 0.02 0.08 -0.04 2.09 2.35 2r5hE1 GLU 26 HB3 0.10 -0.06 -0.04 -0.04 1.99 1.95 2r5hE1 GLU 26 HG2 0.05 -0.02 -0.05 -0.04 2.34 2.28 2r5hE1 GLU 26 HG3 0.09 0.09 -0.00 -0.04 2.34 2.48 2r5hE1 TYR 27 H -0.12 0.13 0.08 -0.55 8.29 7.83 2r5hE1 TYR 27 HA 0.05 0.12 0.47 -0.75 4.56 4.45 2r5hE1 TYR 27 HB2 0.12 -0.05 0.21 -0.04 3.06 3.30 2r5hE1 TYR 27 HB3 0.01 -0.03 0.06 -0.04 2.98 2.99 2r5hE1 TYR 27 HD2 0.17 -0.01 -0.02 -0.04 7.15 7.24 2r5hE1 TYR 27 HE2 0.66 0.13 -0.02 -0.04 6.85 7.57 2r5hE1 VAL 28 H -0.13 0.36 -0.48 -0.55 8.24 7.44 2r5hE1 VAL 28 HA 0.08 0.19 1.19 -0.75 4.13 4.83 2r5hE1 VAL 28 HB -0.18 0.06 -0.09 -0.04 2.12 1.87 2r5hE1 VAL 28 HG13 -0.08 -0.02 -0.38 -0.04 0.97 0.45 2r5hE1 VAL 28 HG23 -0.21 -0.05 -0.10 -0.04 0.95 0.55 2r5hE1 ALA 29 H 0.02 1.03 0.45 -0.55 8.40 9.35 2r5hE1 ALA 29 HA -0.02 0.17 0.52 -0.75 4.34 4.26 2r5hE1 ALA 29 HB3 0.00 -0.05 0.00 -0.04 1.41 1.32 2r5hE1 ARG 30 H -0.03 0.17 0.21 -0.55 8.46 8.25 2r5hE1 ARG 30 HA -0.09 0.13 0.76 -0.75 4.34 4.39 2r5hE1 ARG 30 HB2 -0.03 -0.04 0.18 -0.04 1.90 1.96 2r5hE1 ARG 30 HB3 -0.04 0.07 0.03 -0.04 1.80 1.82 2r5hE1 ARG 30 HG2 -0.06 -0.00 -0.20 -0.04 1.67 1.37 2r5hE1 ARG 30 HG3 -0.04 0.11 0.05 -0.04 1.67 1.74 2r5hE1 ARG 30 HD2 -0.02 -0.02 0.01 -0.04 3.22 3.16 2r5hE1 ARG 30 HD3 -0.02 0.01 -0.03 -0.04 3.22 3.15 2r5hE1 THR 31 H -0.17 0.47 0.28 -0.55 8.28 8.31 2r5hE1 THR 31 HA -0.10 0.17 0.76 -0.75 4.39 4.47 2r5hE1 THR 31 HB -0.22 -0.07 0.06 -0.04 4.32 4.05 2r5hE1 THR 31 HG23 -0.20 0.07 -0.21 -0.04 1.22 0.83 2r5hE1 ASN 32 H -0.15 0.13 0.03 -0.55 8.53 7.99 2r5hE1 ASN 32 HA -0.24 0.26 0.80 -0.75 4.76 4.84 2r5hE1 ASN 32 HB2 -0.04 -0.02 0.05 -0.04 2.88 2.83 2r5hE1 ASN 32 HB3 -0.02 -0.02 0.19 -0.04 2.79 2.90 2r5hE1 ASN 32 HD21 0.04 0.02 0.00 -0.04 7.03 7.05 2r5hE1 ASN 32 HD22 0.02 -0.04 0.03 -0.04 7.74 7.71 2r5hE1 ILE 33 H -0.36 0.17 -0.38 -0.55 8.25 7.14 2r5hE1 ILE 33 HA -0.06 0.21 0.97 -0.75 4.18 4.55 2r5hE1 ILE 33 HB -0.33 -0.07 0.11 -0.04 1.89 1.56 2r5hE1 ILE 33 HG12 -0.43 -0.08 -0.12 -0.04 1.49 0.81 2r5hE1 ILE 33 HG13 -0.59 0.02 -0.07 -0.04 1.21 0.53 2r5hE1 ILE 33 HG23 0.28 0.02 -0.18 -0.04 0.93 1.01 2r5hE1 ILE 33 HD13 -0.03 0.06 -0.03 -0.04 0.88 0.84 2r5hE1 TYR 34 H 0.20 0.19 0.12 -0.55 8.29 8.25 2r5hE1 TYR 34 HA 0.34 0.37 1.29 -0.75 4.56 5.81 2r5hE1 TYR 34 HB2 0.20 -0.05 0.08 -0.04 3.06 3.25 2r5hE1 TYR 34 HB3 0.28 0.04 0.01 -0.04 2.98 3.26 2r5hE1 TYR 34 HD2 0.13 0.05 -0.19 -0.04 7.15 7.11 2r5hE1 TYR 34 HE2 0.07 0.00 -0.09 -0.04 6.85 6.79 2r5hE1 TYR 35 H 0.61 0.99 0.45 -0.55 8.29 9.79 2r5hE1 TYR 35 HA 0.29 0.43 1.18 -0.75 4.56 5.71 2r5hE1 TYR 35 HB2 0.41 -0.08 -0.02 -0.04 3.06 3.33 2r5hE1 TYR 35 HB3 0.08 -0.02 0.03 -0.04 2.98 3.04 2r5hE1 TYR 35 HD2 0.47 -0.06 -0.49 -0.04 7.15 7.02 2r5hE1 TYR 35 HE2 0.46 -0.02 -0.18 -0.04 6.85 7.07 2r5hE1 HIS 36 H 0.22 0.65 0.43 -0.55 8.41 9.16 2r5hE1 HIS 36 HA -0.12 0.35 1.23 -0.75 4.63 5.33 2r5hE1 HIS 36 HB2 -0.02 -0.07 0.04 -0.04 3.26 3.18 2r5hE1 HIS 36 HB3 -0.06 0.05 0.05 -0.04 3.20 3.19 2r5hE1 HIS 36 HD2 -0.11 -0.25 -0.03 -0.04 6.97 6.54 2r5hE1 HIS 36 HE1 -0.73 0.08 -0.16 -0.04 7.75 6.89 2r5hE1 ALA 37 H -1.01 0.54 0.35 -0.55 8.40 7.73 2r5hE1 ALA 37 HA -0.20 0.28 0.54 -0.75 4.34 4.20 2r5hE1 ALA 37 HB3 -0.60 -0.01 -0.26 -0.04 1.41 0.50 2r5hE1 GLY 38 H -0.10 0.22 0.01 -0.55 8.43 8.02 2r5hE1 GLY 38 HA2 0.06 -0.09 0.13 -0.51 4.01 3.59 2r5hE1 GLY 38 HA3 -0.12 0.25 0.75 -0.51 4.01 4.38 2r5hE1 THR 39 H -0.02 0.01 0.06 -0.55 8.28 7.78 2r5hE1 THR 39 HA 0.01 0.03 0.30 -0.75 4.39 3.97 2r5hE1 THR 39 HB -0.01 0.01 -0.08 -0.04 4.32 4.20 2r5hE1 THR 39 HG23 -0.06 0.02 -0.00 -0.04 1.22 1.13 2r5hE1 SER 40 H 0.04 0.10 0.17 -0.55 8.46 8.22 2r5hE1 SER 40 HA 0.05 0.12 0.40 -0.75 4.49 4.30 2r5hE1 SER 40 HB2 0.06 0.02 0.12 -0.04 3.95 4.10 2r5hE1 SER 40 HB3 0.06 0.04 0.16 -0.04 3.93 4.15 2r5hE1 ARG 41 H 0.05 0.05 -0.17 -0.55 8.46 7.84 2r5hE1 ARG 41 HA 0.02 0.20 0.64 -0.75 4.34 4.45 2r5hE1 ARG 41 HB2 0.03 0.16 -0.02 -0.04 1.90 2.02 2r5hE1 ARG 41 HB3 0.05 -0.13 -0.10 -0.04 1.80 1.58 2r5hE1 ARG 41 HG2 0.08 0.08 -0.46 -0.04 1.67 1.33 2r5hE1 ARG 41 HG3 0.04 0.07 0.03 -0.04 1.67 1.76 2r5hE1 ARG 41 HD2 0.05 -0.08 -0.07 -0.04 3.22 3.09 2r5hE1 ARG 41 HD3 0.05 -0.00 -0.09 -0.04 3.22 3.14 2r5hE1 LEU 42 H 0.04 0.30 -0.05 -0.55 8.37 8.12 2r5hE1 LEU 42 HA 0.24 0.09 0.74 -0.75 4.35 4.66 2r5hE1 LEU 42 HB2 -0.01 -0.13 -0.02 -0.04 1.64 1.44 2r5hE1 LEU 42 HB3 -0.02 0.07 -0.04 -0.04 1.64 1.61 2r5hE1 LEU 42 HG -0.13 -0.12 -0.13 -0.04 1.64 1.22 2r5hE1 LEU 42 HD13 -1.13 0.00 -0.08 -0.04 0.93 -0.32 2r5hE1 LEU 42 HD23 0.33 0.05 -0.01 -0.04 0.89 1.22 2r5hE1 LEU 43 H 0.38 0.21 0.22 -0.55 8.37 8.64 2r5hE1 LEU 43 HA 0.24 0.29 0.66 -0.75 4.35 4.78 2r5hE1 LEU 43 HB2 0.14 -0.03 -0.04 -0.04 1.64 1.67 2r5hE1 LEU 43 HB3 0.12 -0.01 -0.05 -0.04 1.64 1.65 2r5hE1 LEU 43 HG 0.08 0.01 0.14 -0.04 1.64 1.83 2r5hE1 LEU 43 HD13 0.07 0.05 0.19 -0.04 0.93 1.19 2r5hE1 LEU 43 HD23 0.05 -0.01 -0.03 -0.04 0.89 0.86 2r5hE1 ALA 44 H 0.14 0.43 0.31 -0.55 8.40 8.73 2r5hE1 ALA 44 HA 0.01 0.12 0.68 -0.75 4.34 4.39 2r5hE1 ALA 44 HB3 0.13 -0.00 -0.03 -0.04 1.41 1.47 2r5hE1 VAL 45 H -0.02 0.33 0.10 -0.55 8.24 8.10 2r5hE1 VAL 45 HA -0.03 0.30 0.81 -0.75 4.13 4.46 2r5hE1 VAL 45 HB 0.00 -0.04 0.07 -0.04 2.12 2.10 2r5hE1 VAL 45 HG13 0.00 0.01 -0.13 -0.04 0.97 0.81 2r5hE1 VAL 45 HG23 0.01 -0.02 -0.14 -0.04 0.95 0.75 2r5hE1 GLY 46 H -0.01 0.51 0.33 -0.55 8.43 8.72 2r5hE1 GLY 46 HA2 0.03 0.06 0.65 -0.51 4.01 4.24 2r5hE1 GLY 46 HA3 0.02 0.15 0.41 -0.51 4.01 4.07 2r5hE1 HIS 47 H 0.11 0.52 0.24 -0.55 8.41 8.73 2r5hE1 HIS 47 HA 0.00 0.32 1.00 -0.75 4.63 5.20 2r5hE1 HIS 47 HB2 -0.02 -0.01 0.06 -0.04 3.26 3.25 2r5hE1 HIS 47 HB3 -0.09 0.20 0.08 -0.04 3.20 3.35 2r5hE1 HIS 47 HD2 0.01 0.03 0.12 -0.04 6.97 7.08 2r5hE1 HIS 47 HE1 -0.22 -0.03 -0.00 -0.04 7.75 7.45 2r5hE1 PRO 48 HA -0.08 0.04 0.09 -0.51 4.44 3.97 2r5hE1 PRO 48 HB2 -0.67 0.02 -0.00 -0.04 2.28 1.59 2r5hE1 PRO 48 HB3 -0.24 0.08 0.05 -0.04 2.02 1.88 2r5hE1 PRO 48 HG2 -0.27 -0.02 -0.01 -0.04 2.03 1.69 2r5hE1 PRO 48 HG3 -0.24 0.10 -0.06 -0.04 2.03 1.79 2r5hE1 PRO 48 HD2 -1.37 0.18 0.13 -0.04 3.68 2.57 2r5hE1 PRO 48 HD3 -0.28 0.21 -0.03 -0.04 3.65 3.51 2r5hE1 TYR 49 H 0.48 0.03 -0.34 -0.55 8.29 7.91 2r5hE1 TYR 49 HA 0.11 0.17 0.75 -0.75 4.56 4.84 2r5hE1 TYR 49 HB2 -0.08 0.05 -0.03 -0.04 3.06 2.97 2r5hE1 TYR 49 HB3 0.16 -0.13 -0.08 -0.04 2.98 2.90 2r5hE1 TYR 49 HD2 0.08 -0.10 0.03 -0.04 7.15 7.12 2r5hE1 TYR 49 HE2 -0.03 -0.17 0.12 -0.04 6.85 6.73 2r5hE1 PHE 50 H -0.41 0.09 0.05 -0.55 8.34 7.52 2r5hE1 PHE 50 HA 0.09 0.30 0.88 -0.75 4.62 5.14 2r5hE1 PHE 50 HB2 -0.01 0.13 0.04 -0.04 3.15 3.27 2r5hE1 PHE 50 HB3 0.05 0.09 -0.27 -0.04 3.06 2.89 2r5hE1 PHE 50 HD2 -0.07 0.11 -0.47 -0.04 7.28 6.81 2r5hE1 PHE 50 HE2 -0.22 -0.02 -0.08 -0.04 7.38 7.03 2r5hE1 PHE 50 HZ -0.20 -0.01 -0.03 -0.04 7.32 7.04 2r5hE1 PRO 51 HA 0.12 0.05 0.34 -0.51 4.44 4.45 2r5hE1 PRO 51 HB2 0.06 0.07 0.02 -0.04 2.28 2.39 2r5hE1 PRO 51 HB3 0.07 -0.10 0.13 -0.04 2.02 2.08 2r5hE1 PRO 51 HG2 0.07 0.05 0.07 -0.04 2.03 2.18 2r5hE1 PRO 51 HG3 0.07 0.06 0.10 -0.04 2.03 2.22 2r5hE1 PRO 51 HD2 0.22 0.12 0.17 -0.04 3.68 4.15 2r5hE1 PRO 51 HD3 0.19 0.19 0.28 -0.04 3.65 4.27 2r5hE1 ILE 52 H 0.09 0.60 0.26 -0.55 8.25 8.65 2r5hE1 ILE 52 HA 0.11 0.23 1.04 -0.75 4.18 4.81 2r5hE1 ILE 52 HB 0.08 -0.08 0.24 -0.04 1.89 2.10 2r5hE1 ILE 52 HG12 0.14 -0.02 -0.00 -0.04 1.49 1.57 2r5hE1 ILE 52 HG13 0.15 0.06 -0.05 -0.04 1.21 1.33 2r5hE1 ILE 52 HG23 0.08 -0.01 -0.13 -0.04 0.93 0.83 2r5hE1 ILE 52 HD13 0.01 -0.06 -0.09 -0.04 0.88 0.69 2r5hE1 LYS 53 H 0.04 0.30 0.14 -0.55 8.42 8.34 2r5hE1 LYS 53 HA 0.02 -0.01 1.04 -0.75 4.32 4.61 2r5hE1 LYS 53 HB2 0.00 0.10 -0.21 -0.04 1.87 1.72 2r5hE1 LYS 53 HB3 0.02 -0.13 -0.41 -0.04 1.79 1.22 2r5hE1 LYS 53 HG2 0.01 -0.01 -0.14 -0.04 1.46 1.27 2r5hE1 LYS 53 HG3 -0.01 0.07 -0.16 -0.04 1.46 1.32 2r5hE1 LYS 53 HD2 -0.01 0.02 -0.08 -0.04 1.69 1.57 2r5hE1 LYS 53 HD3 -0.01 -0.06 -0.09 -0.04 1.68 1.48 2r5hE1 LYS 53 HE2 0.00 0.02 -0.20 -0.04 2.99 2.77 2r5hE1 LYS 53 HE3 0.01 -0.04 -0.12 -0.04 2.99 2.80 2r5hE1 LYS 54 H 0.01 0.26 0.17 -0.55 8.42 8.30 2r5hE1 LYS 54 HA 0.01 0.07 0.51 -0.75 4.32 4.16 2r5hE1 LYS 54 HB2 0.00 0.01 0.15 -0.04 1.87 1.99 2r5hE1 LYS 54 HB3 -0.00 -0.05 0.14 -0.04 1.79 1.83 2r5hE1 LYS 54 HG2 -0.00 -0.24 0.07 -0.04 1.46 1.24 2r5hE1 LYS 54 HG3 0.00 0.09 0.11 -0.04 1.46 1.63 2r5hE1 LYS 54 HD2 0.00 0.00 0.05 -0.04 1.69 1.71 2r5hE1 LYS 54 HD3 0.00 -0.01 0.05 -0.04 1.68 1.68 2r5hE1 LYS 54 HE2 0.01 -0.00 0.03 -0.04 2.99 2.98 2r5hE1 LYS 54 HE3 0.01 0.01 0.08 -0.04 2.99 3.05 2r5hE1 PRO 55 HA -0.02 0.13 0.38 -0.51 4.44 4.42 2r5hE1 PRO 55 HB2 -0.01 0.02 0.04 -0.04 2.28 2.28 2r5hE1 PRO 55 HB3 -0.01 0.04 0.14 -0.04 2.02 2.15 2r5hE1 PRO 55 HG2 -0.00 -0.11 0.13 -0.04 2.03 2.01 2r5hE1 PRO 55 HG3 0.00 0.05 0.11 -0.04 2.03 2.14 2r5hE1 PRO 55 HD2 0.01 0.01 0.27 -0.04 3.68 3.92 2r5hE1 PRO 55 HD3 0.01 0.19 0.23 -0.04 3.65 4.04 2r5hE1 ASN 56 H -0.01 -0.04 -0.08 -0.55 8.53 7.85 2r5hE1 ASN 56 HA -0.01 0.20 0.84 -0.75 4.76 5.04 2r5hE1 ASN 56 HB2 -0.01 0.01 -0.06 -0.04 2.88 2.78 2r5hE1 ASN 56 HB3 -0.01 0.01 0.06 -0.04 2.79 2.81 2r5hE1 ASN 56 HD21 -0.00 0.01 0.04 -0.04 7.03 7.04 2r5hE1 ASN 56 HD22 -0.01 0.04 0.02 -0.04 7.74 7.75 2r5hE1 ASN 57 H -0.01 -0.09 -0.03 -0.55 8.53 7.86 2r5hE1 ASN 57 HA -0.01 0.10 0.53 -0.75 4.76 4.63 2r5hE1 ASN 57 HB2 -0.01 0.04 0.10 -0.04 2.88 2.97 2r5hE1 ASN 57 HB3 -0.00 -0.04 0.12 -0.04 2.79 2.83 2r5hE1 ASN 57 HD21 -0.01 0.07 -0.01 -0.04 7.03 7.05 2r5hE1 ASN 57 HD22 -0.01 0.08 0.08 -0.04 7.74 7.86 2r5hE1 ASN 58 H -0.01 0.09 0.11 -0.55 8.53 8.18 2r5hE1 ASN 58 HA -0.01 0.43 0.95 -0.75 4.76 5.38 2r5hE1 ASN 58 HB2 -0.01 -0.00 0.16 -0.04 2.88 2.99 2r5hE1 ASN 58 HB3 -0.01 0.10 -0.06 -0.04 2.79 2.78 2r5hE1 ASN 58 HD21 -0.01 -0.02 -0.02 -0.04 7.03 6.94 2r5hE1 ASN 58 HD22 -0.01 0.01 -0.00 -0.04 7.74 7.70 2r5hE1 LYS 59 H -0.00 -0.00 -0.26 -0.55 8.42 7.60 2r5hE1 LYS 59 HA -0.01 0.18 0.74 -0.75 4.32 4.47 2r5hE1 LYS 59 HB2 -0.01 -0.04 0.05 -0.04 1.87 1.83 2r5hE1 LYS 59 HB3 -0.00 -0.03 0.01 -0.04 1.79 1.73 2r5hE1 LYS 59 HG2 -0.01 0.05 -0.00 -0.04 1.46 1.45 2r5hE1 LYS 59 HG3 -0.01 0.01 0.02 -0.04 1.46 1.44 2r5hE1 LYS 59 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.63 2r5hE1 LYS 59 HD3 -0.00 -0.06 -0.04 -0.04 1.68 1.54 2r5hE1 LYS 59 HE2 -0.00 -0.10 -0.31 -0.04 2.99 2.54 2r5hE1 LYS 59 HE3 -0.00 0.16 -0.28 -0.04 2.99 2.83 2r5hE1 ILE 60 H -0.01 0.17 0.10 -0.55 8.25 7.97 2r5hE1 ILE 60 HA 0.01 0.09 0.46 -0.75 4.18 3.99 2r5hE1 ILE 60 HB 0.01 0.09 -0.19 -0.04 1.89 1.76 2r5hE1 ILE 60 HG12 -0.01 -0.02 0.11 -0.04 1.49 1.53 2r5hE1 ILE 60 HG13 -0.01 0.01 0.11 -0.04 1.21 1.28 2r5hE1 ILE 60 HG23 0.01 0.02 -0.08 -0.04 0.93 0.84 2r5hE1 ILE 60 HD13 -0.02 -0.00 -0.03 -0.04 0.88 0.79 2r5hE1 LEU 61 H 0.02 0.38 0.44 -0.55 8.37 8.66 2r5hE1 LEU 61 HA 0.01 0.04 0.63 -0.75 4.35 4.27 2r5hE1 LEU 61 HB2 0.01 -0.09 0.08 -0.04 1.64 1.61 2r5hE1 LEU 61 HB3 0.03 0.13 0.12 -0.04 1.64 1.88 2r5hE1 LEU 61 HG 0.02 0.03 -0.21 -0.04 1.64 1.44 2r5hE1 LEU 61 HD13 0.00 -0.01 0.06 -0.04 0.93 0.94 2r5hE1 LEU 61 HD23 0.02 -0.02 -0.05 -0.04 0.89 0.80 2r5hE1 VAL 62 H 0.03 0.53 0.17 -0.55 8.24 8.42 2r5hE1 VAL 62 HA 0.02 0.22 0.58 -0.75 4.13 4.19 2r5hE1 VAL 62 HB 0.06 -0.08 0.08 -0.04 2.12 2.14 2r5hE1 VAL 62 HG13 0.07 0.00 -0.08 -0.04 0.97 0.92 2r5hE1 VAL 62 HG23 0.02 -0.00 -0.12 -0.04 0.95 0.81 2r5hE1 PRO 63 HA 0.04 0.13 0.90 -0.51 4.44 4.99 2r5hE1 PRO 63 HB2 -0.02 0.12 0.00 -0.04 2.28 2.33 2r5hE1 PRO 63 HB3 -0.02 0.03 0.03 -0.04 2.02 2.02 2r5hE1 PRO 63 HG2 -0.03 0.07 0.00 -0.04 2.03 2.03 2r5hE1 PRO 63 HG3 -0.05 0.05 0.04 -0.04 2.03 2.03 2r5hE1 PRO 63 HD2 0.00 0.19 0.33 -0.04 3.68 4.16 2r5hE1 PRO 63 HD3 -0.01 0.20 0.09 -0.04 3.65 3.90 2r5hE1 LYS 64 H 0.04 0.17 0.09 -0.55 8.42 8.17 2r5hE1 LYS 64 HA 0.08 0.20 0.47 -0.75 4.32 4.32 2r5hE1 LYS 64 HB2 0.09 -0.05 -0.06 -0.04 1.87 1.81 2r5hE1 LYS 64 HB3 0.05 0.01 0.11 -0.04 1.79 1.92 2r5hE1 LYS 64 HG2 0.06 -0.06 -0.29 -0.04 1.46 1.13 2r5hE1 LYS 64 HG3 0.11 -0.04 -0.43 -0.04 1.46 1.06 2r5hE1 LYS 64 HD2 0.06 -0.01 -0.05 -0.04 1.69 1.65 2r5hE1 LYS 64 HD3 0.06 -0.08 -0.16 -0.04 1.68 1.47 2r5hE1 LYS 64 HE2 0.15 0.37 0.04 -0.04 2.99 3.51 2r5hE1 LYS 64 HE3 0.12 -0.09 0.05 -0.04 2.99 3.03 2r5hE1 VAL 65 H 0.04 0.24 -0.15 -0.55 8.24 7.83 2r5hE1 VAL 65 HA -0.00 0.18 0.69 -0.75 4.13 4.25 2r5hE1 VAL 65 HB -0.03 -0.02 0.05 -0.04 2.12 2.08 2r5hE1 VAL 65 HG13 -0.06 -0.02 -0.44 -0.04 0.97 0.41 2r5hE1 VAL 65 HG23 -0.02 0.06 -0.68 -0.04 0.95 0.27 2r5hE1 SER 66 H 0.04 0.23 -0.11 -0.55 8.46 8.08 2r5hE1 SER 66 HA 0.43 0.22 0.77 -0.75 4.49 5.15 2r5hE1 SER 66 HB2 -0.01 0.14 0.07 -0.04 3.95 4.11 2r5hE1 SER 66 HB3 0.03 0.04 -0.10 -0.04 3.93 3.86 2r5hE1 GLY 67 H 0.26 0.22 0.09 -0.55 8.43 8.45 2r5hE1 GLY 67 HA2 0.11 0.15 0.40 -0.51 4.01 4.16 2r5hE1 GLY 67 HA3 0.16 0.11 0.35 -0.51 4.01 4.11 2r5hE1 LEU 68 H 0.05 0.08 -0.42 -0.55 8.37 7.53 2r5hE1 LEU 68 HA -0.03 0.13 0.70 -0.75 4.35 4.40 2r5hE1 LEU 68 HB2 0.02 -0.00 -0.26 -0.04 1.64 1.35 2r5hE1 LEU 68 HB3 -0.07 -0.02 -0.04 -0.04 1.64 1.47 2r5hE1 LEU 68 HG 0.04 0.44 -0.84 -0.04 1.64 1.24 2r5hE1 LEU 68 HD13 0.18 -0.03 -0.17 -0.04 0.93 0.87 2r5hE1 LEU 68 HD23 -0.05 -0.03 -0.01 -0.04 0.89 0.77 2r5hE1 GLN 69 H 0.04 -0.15 0.01 -0.55 8.47 7.83 2r5hE1 GLN 69 HA 0.07 0.38 0.50 -0.75 4.36 4.55 2r5hE1 GLN 69 HB2 0.06 0.11 0.13 -0.04 2.15 2.41 2r5hE1 GLN 69 HB3 0.05 0.02 -0.02 -0.04 2.02 2.02 2r5hE1 GLN 69 HG2 0.04 0.07 -0.20 -0.04 2.40 2.27 2r5hE1 GLN 69 HG3 0.05 -0.10 -0.07 -0.04 2.39 2.23 2r5hE1 GLN 69 HE21 0.01 0.24 0.02 -0.04 6.97 7.20 2r5hE1 GLN 69 HE22 0.03 0.17 0.01 -0.04 7.69 7.86 2r5hE1 TYR 70 H 0.31 0.42 0.15 -0.55 8.29 8.62 2r5hE1 TYR 70 HA 0.04 0.26 0.46 -0.75 4.56 4.57 2r5hE1 TYR 70 HB2 -0.00 -0.02 0.16 -0.04 3.06 3.16 2r5hE1 TYR 70 HB3 0.00 -0.05 -0.11 -0.04 2.98 2.79 2r5hE1 TYR 70 HD2 0.01 0.09 -0.17 -0.04 7.15 7.05 2r5hE1 TYR 70 HE2 -0.01 0.03 -0.15 -0.04 6.85 6.68 2r5hE1 ARG 71 H 0.08 0.57 0.30 -0.55 8.46 8.86 2r5hE1 ARG 71 HA -0.06 0.00 0.92 -0.75 4.34 4.44 2r5hE1 ARG 71 HB2 0.00 -0.02 0.20 -0.04 1.90 2.04 2r5hE1 ARG 71 HB3 -0.75 -0.05 0.06 -0.04 1.80 1.02 2r5hE1 ARG 71 HG2 0.12 0.14 -0.07 -0.04 1.67 1.82 2r5hE1 ARG 71 HG3 0.18 -0.04 -0.05 -0.04 1.67 1.72 2r5hE1 ARG 71 HD2 0.51 -0.05 -0.09 -0.04 3.22 3.55 2r5hE1 ARG 71 HD3 -0.00 -0.01 -0.03 -0.04 3.22 3.13 2r5hE1 VAL 72 H -0.02 0.17 -0.09 -0.55 8.24 7.75 2r5hE1 VAL 72 HA 0.01 0.17 0.73 -0.75 4.13 4.28 2r5hE1 VAL 72 HB 0.19 -0.15 0.21 -0.04 2.12 2.33 2r5hE1 VAL 72 HG13 -0.24 0.03 -0.14 -0.04 0.97 0.59 2r5hE1 VAL 72 HG23 0.05 0.02 -0.33 -0.04 0.95 0.65 2r5hE1 PHE 73 H 0.24 1.12 0.45 -0.55 8.34 9.59 2r5hE1 PHE 73 HA 0.10 0.11 0.99 -0.75 4.62 5.06 2r5hE1 PHE 73 HB2 -0.01 -0.05 0.23 -0.04 3.15 3.27 2r5hE1 PHE 73 HB3 -0.09 0.00 -0.03 -0.04 3.06 2.90 2r5hE1 PHE 73 HD2 -0.48 0.10 -0.05 -0.04 7.28 6.80 2r5hE1 PHE 73 HE2 -1.28 -0.03 -0.08 -0.04 7.38 5.95 2r5hE1 PHE 73 HZ -2.13 -0.01 -0.10 -0.04 7.32 5.04 2r5hE1 ARG 74 H 0.26 0.97 0.27 -0.55 8.46 9.40 2r5hE1 ARG 74 HA 0.31 0.29 1.11 -0.75 4.34 5.30 2r5hE1 ARG 74 HB2 0.38 -0.04 -0.10 -0.04 1.90 2.10 2r5hE1 ARG 74 HB3 0.22 -0.06 0.04 -0.04 1.80 1.96 2r5hE1 ARG 74 HG2 -0.38 -0.03 -0.24 -0.04 1.67 0.97 2r5hE1 ARG 74 HG3 -0.04 0.03 -0.08 -0.04 1.67 1.54 2r5hE1 ARG 74 HD2 0.49 -0.02 -0.12 -0.04 3.22 3.53 2r5hE1 ARG 74 HD3 0.40 -0.01 -0.10 -0.04 3.22 3.46 2r5hE1 ILE 75 H -0.18 0.75 0.29 -0.55 8.25 8.55 2r5hE1 ILE 75 HA -0.21 0.07 0.86 -0.75 4.18 4.16 2r5hE1 ILE 75 HB -0.22 0.08 0.11 -0.04 1.89 1.82 2r5hE1 ILE 75 HG12 -0.32 -0.07 -0.18 -0.04 1.49 0.88 2r5hE1 ILE 75 HG13 -0.10 -0.01 -0.31 -0.04 1.21 0.75 2r5hE1 ILE 75 HG23 -0.48 -0.03 -0.31 -0.04 0.93 0.07 2r5hE1 ILE 75 HD13 0.13 0.03 -0.25 -0.04 0.88 0.75 2r5hE1 HIS 76 H -0.17 0.55 0.31 -0.55 8.41 8.55 2r5hE1 HIS 76 HA -0.11 0.33 0.95 -0.75 4.63 5.04 2r5hE1 HIS 76 HB2 -0.04 -0.16 0.39 -0.04 3.26 3.41 2r5hE1 HIS 76 HB3 -0.06 -0.00 0.05 -0.04 3.20 3.14 2r5hE1 HIS 76 HD2 0.06 -0.12 -0.31 -0.04 6.97 6.56 2r5hE1 HIS 76 HE1 0.05 0.00 -0.11 -0.04 7.75 7.65 2r5hE1 LEU 77 H -0.17 0.96 0.27 -0.55 8.37 8.89 2r5hE1 LEU 77 HA -0.36 -0.01 0.63 -0.75 4.35 3.86 2r5hE1 LEU 77 HB2 -0.36 -0.03 0.01 -0.04 1.64 1.22 2r5hE1 LEU 77 HB3 -0.87 -0.02 0.01 -0.04 1.64 0.72 2r5hE1 LEU 77 HG -0.31 0.13 -0.23 -0.04 1.64 1.19 2r5hE1 LEU 77 HD13 -0.43 -0.03 -0.33 -0.04 0.93 0.11 2r5hE1 LEU 77 HD23 -0.66 -0.03 -0.24 -0.04 0.89 -0.07 2r5hE1 PRO 78 HA -0.19 0.07 0.56 -0.51 4.44 4.38 2r5hE1 PRO 78 HB2 -0.34 0.06 -0.00 -0.04 2.28 1.96 2r5hE1 PRO 78 HB3 -0.35 -0.03 0.12 -0.04 2.02 1.72 2r5hE1 PRO 78 HG2 -1.38 0.02 0.00 -0.04 2.03 0.64 2r5hE1 PRO 78 HG3 -1.48 0.11 0.07 -0.04 2.03 0.69 2r5hE1 PRO 78 HD2 -1.83 0.08 0.13 -0.04 3.68 2.03 2r5hE1 PRO 78 HD3 -0.72 0.07 0.01 -0.04 3.65 2.98 2r5hE1 ASP 79 H -0.01 0.13 0.06 -0.55 8.40 8.03 2r5hE1 ASP 79 HA 0.14 0.15 0.35 -0.75 4.63 4.52 2r5hE1 ASP 79 HB2 0.07 0.10 0.06 -0.04 2.71 2.90 2r5hE1 ASP 79 HB3 0.09 -0.03 0.03 -0.04 2.70 2.75 2r5hE1 PRO 80 HA 0.42 0.07 0.36 -0.51 4.44 4.78 2r5hE1 PRO 80 HB2 -0.22 0.01 -0.16 -0.04 2.28 1.88 2r5hE1 PRO 80 HB3 -0.85 0.02 -0.07 -0.04 2.02 1.07 2r5hE1 PRO 80 HG2 0.11 0.45 -0.19 -0.04 2.03 2.36 2r5hE1 PRO 80 HG3 -0.04 -0.18 -0.25 -0.04 2.03 1.53 2r5hE1 PRO 80 HD2 0.23 0.10 0.20 -0.04 3.68 4.18 2r5hE1 PRO 80 HD3 0.43 0.20 0.21 -0.04 3.65 4.45 2r5hE1 ASN 81 H 0.19 0.19 -0.21 -0.55 8.53 8.16 2r5hE1 ASN 81 HA 0.13 0.04 0.24 -0.75 4.76 4.41 2r5hE1 ASN 81 HB2 0.22 -0.04 -0.01 -0.04 2.88 3.00 2r5hE1 ASN 81 HB3 0.18 0.12 0.18 -0.04 2.79 3.23 2r5hE1 ASN 81 HD21 0.83 0.13 0.07 -0.04 7.03 8.03 2r5hE1 ASN 81 HD22 0.41 -0.09 0.05 -0.04 7.74 8.06 2r5hE1 LYS 82 H 0.20 0.17 -0.82 -0.55 8.42 7.41 2r5hE1 LYS 82 HA 0.12 0.14 0.58 -0.75 4.32 4.40 2r5hE1 LYS 82 HB2 0.10 -0.07 -0.12 -0.04 1.87 1.73 2r5hE1 LYS 82 HB3 0.07 -0.04 0.07 -0.04 1.79 1.85 2r5hE1 LYS 82 HG2 0.09 0.02 0.04 -0.04 1.46 1.57 2r5hE1 LYS 82 HG3 0.13 0.12 -0.73 -0.04 1.46 0.93 2r5hE1 LYS 82 HD2 0.10 -0.05 -0.08 -0.04 1.69 1.61 2r5hE1 LYS 82 HD3 0.07 -0.02 -0.03 -0.04 1.68 1.65 2r5hE1 LYS 82 HE2 0.07 0.00 0.02 -0.04 2.99 3.04 2r5hE1 LYS 82 HE3 0.10 -0.10 0.02 -0.04 2.99 2.98 2r5hE1 PHE 83 H 0.22 0.32 0.08 -0.55 8.34 8.41 2r5hE1 PHE 83 HA -0.17 -0.05 0.48 -0.75 4.62 4.13 2r5hE1 PHE 83 HB2 -0.15 0.04 -0.05 -0.04 3.15 2.95 2r5hE1 PHE 83 HB3 -0.87 0.07 -0.00 -0.04 3.06 2.21 2r5hE1 PHE 83 HD2 -1.17 -0.02 -0.06 -0.04 7.28 5.99 2r5hE1 PHE 83 HE2 -0.22 -0.01 -0.05 -0.04 7.38 7.06 2r5hE1 PHE 83 HZ 0.04 0.01 -0.05 -0.04 7.32 7.28 2r5hE1 GLY 84 H -0.81 0.08 0.11 -0.55 8.43 7.26 2r5hE1 GLY 84 HA2 -0.29 0.14 0.40 -0.51 4.01 3.76 2r5hE1 GLY 84 HA3 -0.47 -0.03 0.32 -0.51 4.01 3.33 2r5hE1 PHE 85 H -0.08 0.32 0.17 -0.55 8.34 8.21 2r5hE1 PHE 85 HA -0.10 0.12 0.53 -0.75 4.62 4.42 2r5hE1 PHE 85 HB2 0.21 0.08 0.19 -0.04 3.15 3.60 2r5hE1 PHE 85 HB3 0.28 -0.04 0.09 -0.04 3.06 3.36 2r5hE1 PHE 85 HD2 0.22 0.02 -0.02 -0.04 7.28 7.46 2r5hE1 PHE 85 HE2 0.11 0.23 -0.01 -0.04 7.38 7.67 2r5hE1 PHE 85 HZ -0.13 -0.08 -0.05 -0.04 7.32 7.02 2r5hE1 PRO 86 HA 0.08 0.10 0.41 -0.51 4.44 4.52 2r5hE1 PRO 86 HB2 0.12 -0.01 0.15 -0.04 2.28 2.50 2r5hE1 PRO 86 HB3 0.08 0.03 0.14 -0.04 2.02 2.23 2r5hE1 PRO 86 HG2 0.25 -0.01 0.05 -0.04 2.03 2.28 2r5hE1 PRO 86 HG3 0.20 0.01 0.09 -0.04 2.03 2.28 2r5hE1 PRO 86 HD2 0.31 0.06 0.27 -0.04 3.68 4.28 2r5hE1 PRO 86 HD3 0.03 0.30 0.24 -0.04 3.65 4.18 2r5hE1 ASP 87 H 0.28 0.35 -1.08 -0.55 8.40 7.40 2r5hE1 ASP 87 HA 0.12 0.06 0.45 -0.75 4.63 4.50 2r5hE1 ASP 87 HB2 0.17 0.22 -0.17 -0.04 2.71 2.88 2r5hE1 ASP 87 HB3 0.32 -0.01 -0.18 -0.04 2.70 2.79 2r5hE1 THR 88 H -0.04 0.11 0.11 -0.55 8.28 7.91 2r5hE1 THR 88 HA -0.77 0.17 0.65 -0.75 4.39 3.69 2r5hE1 THR 88 HB -0.10 0.05 0.18 -0.04 4.32 4.41 2r5hE1 THR 88 HG23 0.16 0.03 -0.17 -0.04 1.22 1.19 2r5hE1 SER 89 H -0.24 0.04 0.11 -0.55 8.46 7.82 2r5hE1 SER 89 HA -0.21 0.29 0.69 -0.75 4.49 4.50 2r5hE1 SER 89 HB2 -0.06 0.06 0.09 -0.04 3.95 4.00 2r5hE1 SER 89 HB3 -0.07 -0.01 0.08 -0.04 3.93 3.89 2r5hE1 PHE 90 H -0.41 -0.03 -0.06 -0.55 8.34 7.29 2r5hE1 PHE 90 HA -0.00 0.08 0.16 -0.75 4.62 4.10 2r5hE1 PHE 90 HB2 -0.05 0.02 -0.01 -0.04 3.15 3.06 2r5hE1 PHE 90 HB3 -0.03 -0.02 0.01 -0.04 3.06 2.98 2r5hE1 PHE 90 HD2 -0.05 -0.02 -0.42 -0.04 7.28 6.75 2r5hE1 PHE 90 HE2 -0.40 0.12 -0.30 -0.04 7.38 6.76 2r5hE1 PHE 90 HZ -0.67 0.12 -0.02 -0.04 7.32 6.71 2r5hE1 TYR 91 H -0.48 0.22 -0.91 -0.55 8.29 6.57 2r5hE1 TYR 91 HA -0.06 0.06 0.32 -0.75 4.56 4.13 2r5hE1 TYR 91 HB2 0.00 -0.07 -0.00 -0.04 3.06 2.95 2r5hE1 TYR 91 HB3 0.26 -0.02 -0.33 -0.04 2.98 2.85 2r5hE1 TYR 91 HD2 -0.46 -0.08 -0.29 -0.04 7.15 6.28 2r5hE1 TYR 91 HE2 -0.09 0.08 -0.08 -0.04 6.85 6.73 2r5hE1 ASN 92 H -0.12 0.11 0.06 -0.55 8.53 8.03 2r5hE1 ASN 92 HA -0.49 0.40 1.16 -0.75 4.76 5.07 2r5hE1 ASN 92 HB2 -0.16 0.11 0.01 -0.04 2.88 2.80 2r5hE1 ASN 92 HB3 -0.13 -0.09 0.22 -0.04 2.79 2.75 2r5hE1 ASN 92 HD21 -0.15 0.02 -0.07 -0.04 7.03 6.78 2r5hE1 ASN 92 HD22 -0.24 0.18 0.06 -0.04 7.74 7.70 2r5hE1 PRO 93 HA -0.30 0.18 0.14 -0.51 4.44 3.95 2r5hE1 PRO 93 HB2 -0.12 0.05 0.15 -0.04 2.28 2.31 2r5hE1 PRO 93 HB3 -0.19 0.05 0.10 -0.04 2.02 1.93 2r5hE1 PRO 93 HG2 -0.21 -0.01 0.06 -0.04 2.03 1.83 2r5hE1 PRO 93 HG3 -0.26 0.05 0.09 -0.04 2.03 1.87 2r5hE1 PRO 93 HD2 -0.40 0.06 0.27 -0.04 3.68 3.57 2r5hE1 PRO 93 HD3 -0.90 0.32 0.12 -0.04 3.65 3.15 2r5hE1 ASP 94 H -0.18 0.04 -0.55 -0.55 8.40 7.17 2r5hE1 ASP 94 HA -0.07 0.22 0.71 -0.75 4.63 4.74 2r5hE1 ASP 94 HB2 -0.09 -0.08 0.07 -0.04 2.71 2.56 2r5hE1 ASP 94 HB3 -0.06 0.01 0.03 -0.04 2.70 2.64 2r5hE1 THR 95 H -0.10 0.01 0.25 -0.55 8.28 7.89 2r5hE1 THR 95 HA -0.06 0.24 0.72 -0.75 4.39 4.54 2r5hE1 THR 95 HB -0.04 -0.07 0.02 -0.04 4.32 4.19 2r5hE1 THR 95 HG23 -0.04 0.01 -0.03 -0.04 1.22 1.12 2r5hE1 GLN 96 H -0.07 0.33 0.31 -0.55 8.47 8.50 2r5hE1 GLN 96 HA -0.08 0.37 1.08 -0.75 4.36 4.98 2r5hE1 GLN 96 HB2 0.03 -0.06 -0.31 -0.04 2.15 1.77 2r5hE1 GLN 96 HB3 -0.01 -0.09 -0.11 -0.04 2.02 1.77 2r5hE1 GLN 96 HG2 -0.04 -0.02 0.21 -0.04 2.40 2.51 2r5hE1 GLN 96 HG3 0.10 0.03 0.05 -0.04 2.39 2.53 2r5hE1 GLN 96 HE21 0.03 0.08 -0.04 -0.04 6.97 7.00 2r5hE1 GLN 96 HE22 0.02 -0.04 -0.07 -0.04 7.69 7.56 2r5hE1 ARG 97 H -0.23 0.59 0.30 -0.55 8.46 8.56 2r5hE1 ARG 97 HA 0.02 0.16 0.79 -0.75 4.34 4.55 2r5hE1 ARG 97 HB2 -1.32 -0.02 0.03 -0.04 1.90 0.54 2r5hE1 ARG 97 HB3 -0.65 0.03 0.01 -0.04 1.80 1.15 2r5hE1 ARG 97 HG2 -0.27 0.02 -0.46 -0.04 1.67 0.93 2r5hE1 ARG 97 HG3 -0.70 -0.01 -0.10 -0.04 1.67 0.82 2r5hE1 ARG 97 HD2 -0.13 0.04 -0.11 -0.04 3.22 2.98 2r5hE1 ARG 97 HD3 -0.24 -0.09 -0.01 -0.04 3.22 2.84 2r5hE1 LEU 98 H -0.14 0.14 0.08 -0.55 8.37 7.90 2r5hE1 LEU 98 HA -0.15 0.32 0.75 -0.75 4.35 4.51 2r5hE1 LEU 98 HB2 -0.14 -0.13 -0.08 -0.04 1.64 1.25 2r5hE1 LEU 98 HB3 -0.35 -0.01 -0.06 -0.04 1.64 1.17 2r5hE1 LEU 98 HG -0.91 0.01 -0.08 -0.04 1.64 0.62 2r5hE1 LEU 98 HD13 -0.56 0.01 -0.13 -0.04 0.93 0.21 2r5hE1 LEU 98 HD23 -0.43 0.04 -0.10 -0.04 0.89 0.37 2r5hE1 VAL 99 H -0.14 0.45 0.19 -0.55 8.24 8.20 2r5hE1 VAL 99 HA 0.23 0.06 0.66 -0.75 4.13 4.33 2r5hE1 VAL 99 HB 0.03 0.00 -0.10 -0.04 2.12 2.01 2r5hE1 VAL 99 HG13 0.01 0.04 -0.12 -0.04 0.97 0.87 2r5hE1 VAL 99 HG23 0.68 0.01 -0.25 -0.04 0.95 1.36 2r5hE1 TRP 100 H 0.34 0.12 0.14 -0.55 7.97 8.03 2r5hE1 TRP 100 HA 0.00 0.29 1.14 -0.75 4.62 5.30 2r5hE1 TRP 100 HB2 -0.10 -0.01 0.08 -0.04 3.23 3.16 2r5hE1 TRP 100 HB3 -0.02 -0.02 0.05 -0.04 3.23 3.20 2r5hE1 TRP 100 HD1 -0.12 -0.01 0.04 -0.04 7.22 7.09 2r5hE1 TRP 100 HE1 -0.30 0.12 -0.13 -0.04 10.20 9.84 2r5hE1 TRP 100 HE3 0.19 -0.04 -0.15 -0.04 7.59 7.55 2r5hE1 TRP 100 HZ2 -0.56 0.01 -0.12 -0.04 7.44 6.73 2r5hE1 TRP 100 HZ3 0.32 0.05 -0.35 -0.04 7.13 7.10 2r5hE1 TRP 100 HH2 -0.45 -0.00 -0.18 -0.04 7.19 6.52 2r5hE1 ALA 101 H 0.58 0.17 0.24 -0.55 8.40 8.85 2r5hE1 ALA 101 HA 0.09 0.94 1.21 -0.75 4.34 5.82 2r5hE1 ALA 101 HB3 0.03 -0.01 -0.08 -0.04 1.41 1.30 2r5hE1 CYS 102 H 0.03 0.23 0.30 -0.55 8.50 8.51 2r5hE1 CYS 102 HA -0.02 0.20 1.26 -0.75 4.58 5.26 2r5hE1 CYS 102 HB2 0.23 -0.04 -0.12 -0.04 2.97 2.99 2r5hE1 CYS 102 HB3 -0.02 0.03 0.06 -0.04 2.97 2.99 2r5hE1 VAL 103 H -0.21 0.61 0.45 -0.55 8.24 8.54 2r5hE1 VAL 103 HA -0.13 0.35 1.08 -0.75 4.13 4.67 2r5hE1 VAL 103 HB -0.31 -0.09 -0.02 -0.04 2.12 1.66 2r5hE1 VAL 103 HG13 -0.05 0.03 -0.20 -0.04 0.97 0.71 2r5hE1 VAL 103 HG23 -0.62 0.05 0.01 -0.04 0.95 0.35 2r5hE1 GLY 104 H -0.31 0.43 0.38 -0.55 8.43 8.39 2r5hE1 GLY 104 HA2 0.06 0.40 1.16 -0.51 4.01 5.12 2r5hE1 GLY 104 HA3 -0.05 -0.03 0.28 -0.51 4.01 3.69 2r5hE1 VAL 105 H -0.30 0.72 0.33 -0.55 8.24 8.44 2r5hE1 VAL 105 HA -0.62 0.56 0.99 -0.75 4.13 4.31 2r5hE1 VAL 105 HB -0.04 0.02 0.06 -0.04 2.12 2.12 2r5hE1 VAL 105 HG13 -0.26 -0.02 -0.17 -0.04 0.97 0.48 2r5hE1 VAL 105 HG23 -0.14 -0.01 -0.18 -0.04 0.95 0.58 2r5hE1 GLU 106 H -0.57 0.35 0.16 -0.55 8.60 8.00 2r5hE1 GLU 106 HA -0.81 0.28 0.67 -0.75 4.29 3.68 2r5hE1 GLU 106 HB2 -0.48 -0.02 -0.17 -0.04 2.09 1.39 2r5hE1 GLU 106 HB3 -0.35 -0.05 0.02 -0.04 1.99 1.58 2r5hE1 GLU 106 HG2 -0.31 -0.03 -0.51 -0.04 2.34 1.44 2r5hE1 GLU 106 HG3 -0.53 0.09 -0.89 -0.04 2.34 0.97 2r5hE1 VAL 107 H -0.03 0.28 0.08 -0.55 8.24 8.02 2r5hE1 VAL 107 HA -0.11 0.05 0.64 -0.75 4.13 3.95 2r5hE1 VAL 107 HB 0.57 0.00 0.23 -0.04 2.12 2.88 2r5hE1 VAL 107 HG13 0.13 -0.01 -0.13 -0.04 0.97 0.92 2r5hE1 VAL 107 HG23 0.23 0.00 -0.03 -0.04 0.95 1.11 2r5hE1 GLY 108 H -0.11 0.79 0.39 -0.55 8.43 8.96 2r5hE1 GLY 108 HA2 -0.06 -0.05 0.41 -0.51 4.01 3.79 2r5hE1 GLY 108 HA3 -0.08 0.09 0.33 -0.51 4.01 3.84 2r5hE1 ARG 109 H -0.03 0.16 0.16 -0.55 8.46 8.20 2r5hE1 ARG 109 HA -0.26 0.30 1.07 -0.75 4.34 4.70 2r5hE1 ARG 109 HB2 -0.03 -0.04 0.13 -0.04 1.90 1.93 2r5hE1 ARG 109 HB3 -0.15 0.01 -0.01 -0.04 1.80 1.61 2r5hE1 ARG 109 HG2 -0.19 0.03 -0.19 -0.04 1.67 1.28 2r5hE1 ARG 109 HG3 -0.26 -0.07 -0.05 -0.04 1.67 1.25 2r5hE1 ARG 109 HD2 -0.75 0.14 -0.01 -0.04 3.22 2.56 2r5hE1 ARG 109 HD3 -0.58 -0.06 -0.12 -0.04 3.22 2.42 2r5hE1 GLY 110 H -0.15 0.85 0.07 -0.55 8.43 8.66 2r5hE1 GLY 110 HA2 -0.04 0.16 0.62 -0.51 4.01 4.24 2r5hE1 GLY 110 HA3 -0.04 -0.00 0.23 -0.51 4.01 3.69 2r5hE1 GLN 111 H -0.06 0.23 -0.17 -0.55 8.47 7.92 2r5hE1 GLN 111 HA -0.02 0.19 0.74 -0.75 4.36 4.52 2r5hE1 GLN 111 HB2 -0.04 -0.04 -0.05 -0.04 2.15 1.97 2r5hE1 GLN 111 HB3 -0.00 0.12 -0.06 -0.04 2.02 2.04 2r5hE1 GLN 111 HG2 -0.06 -0.16 -0.61 -0.04 2.40 1.53 2r5hE1 GLN 111 HG3 -0.04 -0.03 -0.21 -0.04 2.39 2.07 2r5hE1 GLN 111 HE21 0.00 -0.10 0.05 -0.04 6.97 6.88 2r5hE1 GLN 111 HE22 -0.01 0.30 0.09 -0.04 7.69 8.03 2r5hE1 PRO 112 HA 0.00 -0.06 0.53 -0.51 4.44 4.41 2r5hE1 PRO 112 HB2 0.01 0.09 0.06 -0.04 2.28 2.40 2r5hE1 PRO 112 HB3 0.00 -0.01 0.09 -0.04 2.02 2.06 2r5hE1 PRO 112 HG2 0.01 0.06 0.10 -0.04 2.03 2.16 2r5hE1 PRO 112 HG3 0.01 0.02 0.07 -0.04 2.03 2.09 2r5hE1 PRO 112 HD2 0.00 0.12 0.20 -0.04 3.68 3.96 2r5hE1 PRO 112 HD3 0.00 0.14 0.11 -0.04 3.65 3.87 2r5hE1 LEU 113 H 0.01 0.02 0.18 -0.55 8.37 8.03 2r5hE1 LEU 113 HA 0.02 0.12 0.44 -0.75 4.35 4.17 2r5hE1 LEU 113 HB2 0.01 -0.09 0.09 -0.04 1.64 1.61 2r5hE1 LEU 113 HB3 0.02 0.02 -0.06 -0.04 1.64 1.58 2r5hE1 LEU 113 HG 0.03 -0.00 -0.05 -0.04 1.64 1.57 2r5hE1 LEU 113 HD13 0.01 0.02 0.06 -0.04 0.93 0.98 2r5hE1 LEU 113 HD23 0.02 -0.03 -0.15 -0.04 0.89 0.69 2r5hE1 GLY 114 H 0.02 0.97 0.62 -0.55 8.43 9.49 2r5hE1 GLY 114 HA2 0.01 -0.03 0.21 -0.51 4.01 3.69 2r5hE1 GLY 114 HA3 0.00 0.10 0.62 -0.51 4.01 4.23 2r5hE1 VAL 115 H -0.01 0.16 0.18 -0.55 8.24 8.03 2r5hE1 VAL 115 HA -0.01 0.14 0.58 -0.75 4.13 4.09 2r5hE1 VAL 115 HB -0.01 0.14 0.05 -0.04 2.12 2.26 2r5hE1 VAL 115 HG13 0.01 0.01 -0.05 -0.04 0.97 0.90 2r5hE1 VAL 115 HG23 -0.00 -0.01 0.03 -0.04 0.95 0.93 2r5hE1 GLY 116 H -0.03 0.20 0.12 -0.55 8.43 8.17 2r5hE1 GLY 116 HA2 -0.10 0.13 0.77 -0.51 4.01 4.30 2r5hE1 GLY 116 HA3 -0.12 0.17 0.21 -0.51 4.01 3.76 2r5hE1 ILE 117 H -0.08 0.29 0.23 -0.55 8.25 8.14 2r5hE1 ILE 117 HA -0.09 0.44 1.12 -0.75 4.18 4.89 2r5hE1 ILE 117 HB -0.03 0.01 -0.26 -0.04 1.89 1.58 2r5hE1 ILE 117 HG12 -0.01 -0.14 0.12 -0.04 1.49 1.41 2r5hE1 ILE 117 HG13 -0.02 -0.01 -0.10 -0.04 1.21 1.03 2r5hE1 ILE 117 HG23 0.01 -0.02 0.06 -0.04 0.93 0.94 2r5hE1 ILE 117 HD13 0.02 -0.01 -0.09 -0.04 0.88 0.76 2r5hE1 SER 118 H -0.13 0.56 0.42 -0.55 8.46 8.77 2r5hE1 SER 118 HA 0.48 0.20 0.95 -0.75 4.49 5.36 2r5hE1 SER 118 HB2 -0.37 -0.04 -0.02 -0.04 3.95 3.48 2r5hE1 SER 118 HB3 0.26 -0.08 0.03 -0.04 3.93 4.10 2r5hE1 GLY 119 H 0.35 0.26 0.25 -0.55 8.43 8.74 2r5hE1 GLY 119 HA2 0.11 0.14 0.81 -0.51 4.01 4.56 2r5hE1 GLY 119 HA3 0.08 0.09 0.30 -0.51 4.01 3.97 2r5hE1 HIS 120 H 0.13 0.70 0.23 -0.55 8.41 8.93 2r5hE1 HIS 120 HA 0.01 0.14 0.66 -0.75 4.63 4.68 2r5hE1 HIS 120 HB2 0.03 -0.09 -0.40 -0.04 3.26 2.77 2r5hE1 HIS 120 HB3 0.00 -0.00 -0.15 -0.04 3.20 3.00 2r5hE1 HIS 120 HD2 -0.01 0.05 -0.20 -0.04 6.97 6.77 2r5hE1 HIS 120 HE1 -0.03 0.06 -0.00 -0.04 7.75 7.74 2r5hE1 PRO 121 HA 0.06 0.03 0.41 -0.51 4.44 4.44 2r5hE1 PRO 121 HB2 0.08 0.06 0.01 -0.04 2.28 2.39 2r5hE1 PRO 121 HB3 0.03 0.04 0.05 -0.04 2.02 2.09 2r5hE1 PRO 121 HG2 -0.05 0.09 0.04 -0.04 2.03 2.07 2r5hE1 PRO 121 HG3 -0.03 0.02 0.01 -0.04 2.03 1.99 2r5hE1 PRO 121 HD2 -0.25 0.14 0.16 -0.04 3.68 3.70 2r5hE1 PRO 121 HD3 -0.15 0.10 0.13 -0.04 3.65 3.68 2r5hE1 LEU 122 H 0.64 0.09 -0.25 -0.55 8.37 8.30 2r5hE1 LEU 122 HA -0.03 0.38 0.95 -0.75 4.35 4.89 2r5hE1 LEU 122 HB2 -0.11 0.00 0.13 -0.04 1.64 1.62 2r5hE1 LEU 122 HB3 -0.05 0.02 -0.06 -0.04 1.64 1.51 2r5hE1 LEU 122 HG 0.18 -0.14 -0.09 -0.04 1.64 1.55 2r5hE1 LEU 122 HD13 0.05 0.01 -0.04 -0.04 0.93 0.91 2r5hE1 LEU 122 HD23 0.02 0.06 -0.39 -0.04 0.89 0.54 2r5hE1 LEU 123 H -0.08 0.62 -0.04 -0.55 8.37 8.32 2r5hE1 LEU 123 HA -0.33 0.00 0.27 -0.75 4.35 3.53 2r5hE1 LEU 123 HB2 -0.01 -0.11 -0.07 -0.04 1.64 1.41 2r5hE1 LEU 123 HB3 -0.02 0.16 0.17 -0.04 1.64 1.91 2r5hE1 LEU 123 HG 0.01 -0.02 -0.54 -0.04 1.64 1.05 2r5hE1 LEU 123 HD13 -0.13 -0.02 -0.36 -0.04 0.93 0.38 2r5hE1 LEU 123 HD23 0.22 -0.02 -0.18 -0.04 0.89 0.88 2r5hE1 ASN 124 H -0.25 0.46 0.22 -0.55 8.53 8.42 2r5hE1 ASN 124 HA -0.13 -0.01 0.42 -0.75 4.76 4.28 2r5hE1 ASN 124 HB2 -0.18 0.10 0.18 -0.04 2.88 2.94 2r5hE1 ASN 124 HB3 -0.27 -0.06 0.30 -0.04 2.79 2.73 2r5hE1 ASN 124 HD21 -0.09 0.68 -0.00 -0.04 7.03 7.58 2r5hE1 ASN 124 HD22 -0.11 -0.08 -0.01 -0.04 7.74 7.50 2r5hE1 LYS 125 H -0.09 0.42 0.37 -0.55 8.42 8.56 2r5hE1 LYS 125 HA 0.16 0.21 0.87 -0.75 4.32 4.81 2r5hE1 LYS 125 HB2 0.00 -0.04 -0.35 -0.04 1.87 1.44 2r5hE1 LYS 125 HB3 -0.16 0.05 0.01 -0.04 1.79 1.64 2r5hE1 LYS 125 HG2 -0.41 -0.08 -0.17 -0.04 1.46 0.76 2r5hE1 LYS 125 HG3 -1.30 -0.06 -0.22 -0.04 1.46 -0.16 2r5hE1 LYS 125 HD2 -0.35 0.01 -0.28 -0.04 1.69 1.03 2r5hE1 LYS 125 HD3 -0.24 0.21 -1.15 -0.04 1.68 0.46 2r5hE1 LYS 125 HE2 -0.49 0.02 -0.54 -0.04 2.99 1.95 2r5hE1 LYS 125 HE3 -1.28 -0.04 -0.23 -0.04 2.99 1.40 2r5hE1 LEU 126 H 0.05 0.40 0.21 -0.55 8.37 8.49 2r5hE1 LEU 126 HA -0.03 0.08 0.57 -0.75 4.35 4.22 2r5hE1 LEU 126 HB2 0.01 0.00 -0.14 -0.04 1.64 1.48 2r5hE1 LEU 126 HB3 0.03 -0.22 0.20 -0.04 1.64 1.61 2r5hE1 LEU 126 HG 0.00 0.06 -0.12 -0.04 1.64 1.54 2r5hE1 LEU 126 HD13 -0.01 0.00 0.00 -0.04 0.93 0.88 2r5hE1 LEU 126 HD23 0.02 0.00 -0.06 -0.04 0.89 0.81 2r5hE1 ASP 127 H 0.02 0.08 0.21 -0.55 8.40 8.17 2r5hE1 ASP 127 HA -0.07 0.31 1.00 -0.75 4.63 5.12 2r5hE1 ASP 127 HB2 0.01 0.03 0.08 -0.04 2.71 2.79 2r5hE1 ASP 127 HB3 -0.01 0.10 -0.08 -0.04 2.70 2.67 2r5hE1 ASP 128 H 0.02 0.21 0.19 -0.55 8.40 8.27 2r5hE1 ASP 128 HA 0.26 0.22 0.73 -0.75 4.63 5.08 2r5hE1 ASP 128 HB2 0.09 0.03 0.10 -0.04 2.71 2.90 2r5hE1 ASP 128 HB3 0.05 0.03 0.19 -0.04 2.70 2.93 2r5hE1 THR 129 H 0.10 0.67 0.35 -0.55 8.28 8.86 2r5hE1 THR 129 HA 0.03 0.09 0.20 -0.75 4.39 3.97 2r5hE1 THR 129 HB -0.05 0.03 -0.22 -0.04 4.32 4.03 2r5hE1 THR 129 HG23 0.26 -0.00 -0.19 -0.04 1.22 1.24 2r5hE1 GLU 130 H 0.04 0.04 0.06 -0.55 8.60 8.20 2r5hE1 GLU 130 HA -0.04 0.04 0.31 -0.75 4.29 3.84 2r5hE1 GLU 130 HB2 0.00 -0.09 0.19 -0.04 2.09 2.16 2r5hE1 GLU 130 HB3 0.05 -0.01 0.18 -0.04 1.99 2.16 2r5hE1 GLU 130 HG2 -0.00 0.03 -0.06 -0.04 2.34 2.27 2r5hE1 GLU 130 HG3 -0.03 0.01 0.07 -0.04 2.34 2.35 2r5hE1 ASN 131 H 0.02 0.19 -0.24 -0.55 8.53 7.94 2r5hE1 ASN 131 HA -0.02 0.19 0.88 -0.75 4.76 5.05 2r5hE1 ASN 131 HB2 -0.01 0.07 -0.26 -0.04 2.88 2.63 2r5hE1 ASN 131 HB3 0.01 -0.09 -0.07 -0.04 2.79 2.60 2r5hE1 ASN 131 HD21 -0.00 -0.01 -0.10 -0.04 7.03 6.88 2r5hE1 ASN 131 HD22 0.01 -0.05 -0.10 -0.04 7.74 7.55 2r5hE1 ALA 132 H -0.03 0.25 0.18 -0.55 8.40 8.26 2r5hE1 ALA 132 HA -0.01 0.24 1.02 -0.75 4.34 4.83 2r5hE1 ALA 132 HB3 -0.04 0.02 0.03 -0.04 1.41 1.38 2r5hE1 SER 133 H -0.01 0.09 0.20 -0.55 8.46 8.20 2r5hE1 SER 133 HA -0.00 0.18 0.76 -0.75 4.49 4.67 2r5hE1 SER 133 HB2 0.01 0.01 0.08 -0.04 3.95 4.00 2r5hE1 SER 133 HB3 0.00 0.02 -0.01 -0.04 3.93 3.90 2r5hE1 ALA 134 H 0.00 0.23 0.21 -0.55 8.40 8.30 2r5hE1 ALA 134 HA 0.03 0.09 0.10 -0.75 4.34 3.81 2r5hE1 ALA 134 HB3 0.04 0.05 0.12 -0.04 1.41 1.58 2r5hE1 TYR 135 H 0.15 0.11 0.10 -0.55 8.29 8.10 2r5hE1 TYR 135 HA 0.01 0.03 0.28 -0.75 4.56 4.12 2r5hE1 TYR 135 HB2 0.01 -0.04 0.07 -0.04 3.06 3.05 2r5hE1 TYR 135 HB3 0.00 -0.01 -0.01 -0.04 2.98 2.92 2r5hE1 TYR 135 HD2 0.00 0.11 -0.09 -0.04 7.15 7.13 2r5hE1 TYR 135 HE2 -0.00 0.01 -0.04 -0.04 6.85 6.78 2r5hE1 ALA 136 H 0.12 0.06 0.16 -0.55 8.40 8.19 2r5hE1 ALA 136 HA 0.07 0.06 0.10 -0.75 4.34 3.82 2r5hE1 ALA 136 HB3 0.05 0.01 -0.00 -0.04 1.41 1.43 2r5hE1 ALA 137 H 0.05 0.11 0.18 -0.55 8.40 8.19 2r5hE1 ALA 137 HA 0.03 -0.02 0.31 -0.75 4.34 3.91 2r5hE1 ALA 137 HB3 0.02 0.00 0.10 -0.04 1.41 1.48 2r5hE1 ASN 138 H 0.01 0.06 0.17 -0.55 8.53 8.22 2r5hE1 ASN 138 HA 0.01 0.07 0.36 -0.75 4.76 4.45 2r5hE1 ASN 138 HB2 -0.00 -0.05 0.05 -0.04 2.88 2.83 2r5hE1 ASN 138 HB3 -0.01 0.05 -0.05 -0.04 2.79 2.75 2r5hE1 ASN 138 HD21 -0.02 0.01 -0.00 -0.04 7.03 6.97 2r5hE1 ASN 138 HD22 -0.01 0.01 -0.01 -0.04 7.74 7.68 2r5hE1 ALA 139 H -0.00 0.13 0.13 -0.55 8.40 8.11 2r5hE1 ALA 139 HA -0.01 0.24 0.97 -0.75 4.34 4.80 2r5hE1 ALA 139 HB3 -0.01 -0.01 0.07 -0.04 1.41 1.42 2r5hE1 GLY 140 H -0.01 0.17 -0.01 -0.55 8.43 8.03 2r5hE1 GLY 140 HA2 -0.01 0.03 0.47 -0.51 4.01 3.99 2r5hE1 GLY 140 HA3 -0.01 0.02 0.31 -0.51 4.01 3.81 2r5hE1 VAL 141 H -0.02 0.19 0.06 -0.55 8.24 7.92 2r5hE1 VAL 141 HA -0.02 0.26 0.94 -0.75 4.13 4.55 2r5hE1 VAL 141 HB -0.02 -0.00 0.09 -0.04 2.12 2.15 2r5hE1 VAL 141 HG13 -0.02 0.01 -0.18 -0.04 0.97 0.74 2r5hE1 VAL 141 HG23 -0.02 -0.02 -0.14 -0.04 0.95 0.74 2r5hE1 ASP 142 H -0.03 0.10 0.04 -0.55 8.40 7.96 2r5hE1 ASP 142 HA -0.04 -0.07 0.37 -0.75 4.63 4.13 2r5hE1 ASP 142 HB2 -0.03 -0.07 -0.12 -0.04 2.71 2.46 2r5hE1 ASP 142 HB3 -0.03 0.18 0.41 -0.04 2.70 3.22 2r5hE1 ASN 143 H -0.04 0.06 -0.01 -0.55 8.53 7.99 2r5hE1 ASN 143 HA -0.03 0.20 0.79 -0.75 4.76 4.96 2r5hE1 ASN 143 HB2 -0.04 -0.06 -0.03 -0.04 2.88 2.71 2r5hE1 ASN 143 HB3 -0.04 0.12 0.15 -0.04 2.79 2.97 2r5hE1 ASN 143 HD21 -0.02 -0.07 0.01 -0.04 7.03 6.92 2r5hE1 ASN 143 HD22 -0.02 0.09 0.03 -0.04 7.74 7.80 2r5hE1 ARG 144 H -0.06 -0.18 -0.23 -0.55 8.46 7.44 2r5hE1 ARG 144 HA -0.09 0.02 0.32 -0.75 4.34 3.84 2r5hE1 ARG 144 HB2 -0.08 -0.02 -0.19 -0.04 1.90 1.58 2r5hE1 ARG 144 HB3 -0.12 0.17 -0.49 -0.04 1.80 1.31 2r5hE1 ARG 144 HG2 -0.08 -0.08 -0.02 -0.04 1.67 1.45 2r5hE1 ARG 144 HG3 -0.06 -0.17 -0.00 -0.04 1.67 1.40 2r5hE1 ARG 144 HD2 -0.14 0.36 -0.08 -0.04 3.22 3.33 2r5hE1 ARG 144 HD3 -0.09 -0.05 -0.03 -0.04 3.22 3.01 2r5hE1 GLU 145 H -0.09 0.36 0.29 -0.55 8.60 8.61 2r5hE1 GLU 145 HA -0.04 0.18 0.94 -0.75 4.29 4.61 2r5hE1 GLU 145 HB2 -0.08 -0.07 -0.11 -0.04 2.09 1.78 2r5hE1 GLU 145 HB3 -0.06 -0.04 0.13 -0.04 1.99 1.98 2r5hE1 GLU 145 HG2 -0.09 0.01 -0.33 -0.04 2.34 1.90 2r5hE1 GLU 145 HG3 -0.14 -0.10 -0.07 -0.04 2.34 1.99 2r5hE1 CYS 146 H -0.03 0.14 0.18 -0.55 8.50 8.24 2r5hE1 CYS 146 HA 0.02 0.37 0.98 -0.75 4.58 5.20 2r5hE1 CYS 146 HB2 0.01 0.14 0.16 -0.04 2.97 3.24 2r5hE1 CYS 146 HB3 -0.00 -0.07 0.22 -0.04 2.97 3.08 2r5hE1 ILE 147 H 0.04 0.38 0.30 -0.55 8.25 8.41 2r5hE1 ILE 147 HA 0.03 0.16 0.83 -0.75 4.18 4.45 2r5hE1 ILE 147 HB 0.07 -0.00 -0.04 -0.04 1.89 1.88 2r5hE1 ILE 147 HG12 -0.00 0.01 -0.03 -0.04 1.49 1.43 2r5hE1 ILE 147 HG13 -0.04 0.02 -0.70 -0.04 1.21 0.45 2r5hE1 ILE 147 HG23 0.22 -0.01 -0.05 -0.04 0.93 1.06 2r5hE1 ILE 147 HD13 -0.28 0.00 -0.17 -0.04 0.88 0.39 2r5hE1 SER 148 H 0.06 0.21 0.13 -0.55 8.46 8.31 2r5hE1 SER 148 HA 0.07 0.11 0.61 -0.75 4.49 4.52 2r5hE1 SER 148 HB2 0.04 -0.04 -0.06 -0.04 3.95 3.85 2r5hE1 SER 148 HB3 0.05 -0.05 -0.15 -0.04 3.93 3.74 2r5hE1 MET 149 H -0.04 0.29 0.28 -0.55 8.47 8.46 2r5hE1 MET 149 HA -0.03 0.07 0.54 -0.75 4.52 4.34 2r5hE1 MET 149 HB2 -0.07 0.04 0.10 -0.04 2.15 2.18 2r5hE1 MET 149 HB3 0.03 0.27 -0.33 -0.04 2.03 1.96 2r5hE1 MET 149 HG2 -0.27 0.02 -0.16 -0.04 2.63 2.17 2r5hE1 MET 149 HG3 -0.16 0.01 -0.17 -0.04 2.56 2.20 2r5hE1 MET 149 HE3 0.51 0.00 -0.06 -0.04 2.10 2.50 2r5hE1 ASP 150 H -0.12 0.27 0.09 -0.55 8.40 8.10 2r5hE1 ASP 150 HA -0.12 0.31 0.99 -0.75 4.63 5.05 2r5hE1 ASP 150 HB2 -0.03 0.11 0.14 -0.04 2.71 2.88 2r5hE1 ASP 150 HB3 -0.05 -0.01 0.01 -0.04 2.70 2.61 2r5hE1 TYR 151 H -0.19 0.16 0.04 -0.55 8.29 7.75 2r5hE1 TYR 151 HA -0.08 0.09 0.30 -0.75 4.56 4.12 2r5hE1 TYR 151 HB2 -0.01 0.00 -0.01 -0.04 3.06 3.00 2r5hE1 TYR 151 HB3 -0.01 0.06 0.06 -0.04 2.98 3.05 2r5hE1 TYR 151 HD2 -0.02 0.13 -0.04 -0.04 7.15 7.18 2r5hE1 TYR 151 HE2 0.13 -0.00 -0.11 -0.04 6.85 6.83 2r5hE1 LYS 152 H 0.10 0.38 0.02 -0.55 8.42 8.36 2r5hE1 LYS 152 HA 0.02 0.03 0.33 -0.75 4.32 3.94 2r5hE1 LYS 152 HB2 0.02 0.09 -0.22 -0.04 1.87 1.72 2r5hE1 LYS 152 HB3 -0.01 -0.08 -0.14 -0.04 1.79 1.52 2r5hE1 LYS 152 HG2 0.00 -0.20 -0.41 -0.04 1.46 0.81 2r5hE1 LYS 152 HG3 0.03 0.08 -0.27 -0.04 1.46 1.25 2r5hE1 LYS 152 HD2 0.02 0.08 -0.28 -0.04 1.69 1.46 2r5hE1 LYS 152 HD3 -0.01 -0.04 -0.22 -0.04 1.68 1.37 2r5hE1 LYS 152 HE2 -0.02 -0.17 -0.26 -0.04 2.99 2.49 2r5hE1 LYS 152 HE3 0.03 0.07 -0.21 -0.04 2.99 2.84 2r5hE1 GLN 153 H 0.05 0.12 0.39 -0.55 8.47 8.49 2r5hE1 GLN 153 HA 0.06 -0.02 0.63 -0.75 4.36 4.27 2r5hE1 GLN 153 HB2 0.05 0.05 0.24 -0.04 2.15 2.45 2r5hE1 GLN 153 HB3 0.05 -0.07 0.10 -0.04 2.02 2.06 2r5hE1 GLN 153 HG2 0.06 -0.15 0.00 -0.04 2.40 2.27 2r5hE1 GLN 153 HG3 0.05 0.08 -0.02 -0.04 2.39 2.46 2r5hE1 GLN 153 HE21 0.04 0.00 -0.02 -0.04 6.97 6.95 2r5hE1 GLN 153 HE22 0.06 -0.03 -0.07 -0.04 7.69 7.60 2r5hE1 THR 154 H 0.06 0.15 0.24 -0.55 8.28 8.17 2r5hE1 THR 154 HA 0.08 0.21 0.98 -0.75 4.39 4.91 2r5hE1 THR 154 HB 0.03 -0.04 0.03 -0.04 4.32 4.30 2r5hE1 THR 154 HG23 0.11 -0.03 -0.10 -0.04 1.22 1.15 2r5hE1 GLN 155 H 0.10 0.51 0.15 -0.55 8.47 8.67 2r5hE1 GLN 155 HA 0.23 0.36 1.08 -0.75 4.36 5.27 2r5hE1 GLN 155 HB2 0.10 -0.06 -0.00 -0.04 2.15 2.15 2r5hE1 GLN 155 HB3 0.06 0.05 0.22 -0.04 2.02 2.32 2r5hE1 GLN 155 HG2 0.17 0.00 -0.01 -0.04 2.40 2.52 2r5hE1 GLN 155 HG3 0.38 -0.06 0.12 -0.04 2.39 2.79 2r5hE1 GLN 155 HE21 0.05 0.09 -0.04 -0.04 6.97 7.03 2r5hE1 GLN 155 HE22 0.07 -0.02 -0.02 -0.04 7.69 7.68 2r5hE1 LEU 156 H 0.25 0.56 0.36 -0.55 8.37 9.00 2r5hE1 LEU 156 HA 0.08 0.20 0.61 -0.75 4.35 4.49 2r5hE1 LEU 156 HB2 0.15 0.15 0.20 -0.04 1.64 2.09 2r5hE1 LEU 156 HB3 0.15 -0.13 -0.04 -0.04 1.64 1.58 2r5hE1 LEU 156 HG 0.09 -0.06 -0.06 -0.04 1.64 1.57 2r5hE1 LEU 156 HD13 0.20 0.02 -0.47 -0.04 0.93 0.64 2r5hE1 LEU 156 HD23 0.17 -0.01 -0.11 -0.04 0.89 0.89 2r5hE1 CYS 157 H -0.01 0.67 0.37 -0.55 8.50 8.99 2r5hE1 CYS 157 HA 0.20 0.46 0.76 -0.75 4.58 5.25 2r5hE1 CYS 157 HB2 0.62 0.00 -0.01 -0.04 2.97 3.54 2r5hE1 CYS 157 HB3 -0.19 0.00 0.14 -0.04 2.97 2.88 2r5hE1 LEU 158 H 0.15 0.67 0.40 -0.55 8.37 9.04 2r5hE1 LEU 158 HA 0.05 0.24 1.17 -0.75 4.35 5.06 2r5hE1 LEU 158 HB2 0.08 -0.08 0.10 -0.04 1.64 1.70 2r5hE1 LEU 158 HB3 0.05 0.04 -0.00 -0.04 1.64 1.70 2r5hE1 LEU 158 HG 0.15 0.00 -0.28 -0.04 1.64 1.48 2r5hE1 LEU 158 HD13 0.04 -0.02 -0.13 -0.04 0.93 0.78 2r5hE1 LEU 158 HD23 0.21 0.03 -0.12 -0.04 0.89 0.97 2r5hE1 ILE 159 H 0.14 0.59 0.35 -0.55 8.25 8.78 2r5hE1 ILE 159 HA 0.21 0.40 1.25 -0.75 4.18 5.28 2r5hE1 ILE 159 HB 0.58 -0.07 0.17 -0.04 1.89 2.53 2r5hE1 ILE 159 HG12 0.26 0.06 -0.09 -0.04 1.49 1.68 2r5hE1 ILE 159 HG13 0.26 -0.10 -0.35 -0.04 1.21 0.98 2r5hE1 ILE 159 HG23 0.47 0.01 -0.16 -0.04 0.93 1.21 2r5hE1 ILE 159 HD13 0.33 -0.01 -0.12 -0.04 0.88 1.04 2r5hE1 GLY 160 H 0.08 0.49 0.40 -0.55 8.43 8.86 2r5hE1 GLY 160 HA2 -1.10 -0.04 0.67 -0.51 4.01 3.04 2r5hE1 GLY 160 HA3 -0.25 0.66 0.41 -0.51 4.01 4.32 2r5hE1 CYS 161 H -0.24 0.45 0.24 -0.55 8.50 8.40 2r5hE1 CYS 161 HA -0.12 0.12 0.63 -0.75 4.58 4.46 2r5hE1 CYS 161 HB2 0.07 0.06 0.13 -0.04 2.97 3.19 2r5hE1 CYS 161 HB3 0.08 -0.03 0.10 -0.04 2.97 3.08 2r5hE1 LYS 162 H -0.06 0.28 0.08 -0.55 8.42 8.17 2r5hE1 LYS 162 HA 0.05 0.16 0.70 -0.75 4.32 4.47 2r5hE1 LYS 162 HB2 -0.01 -0.05 -0.18 -0.04 1.87 1.59 2r5hE1 LYS 162 HB3 0.01 0.08 -0.03 -0.04 1.79 1.80 2r5hE1 LYS 162 HG2 0.02 -0.07 -0.31 -0.04 1.46 1.06 2r5hE1 LYS 162 HG3 -0.00 -0.05 -0.14 -0.04 1.46 1.23 2r5hE1 LYS 162 HD2 -0.01 0.03 -0.02 -0.04 1.69 1.65 2r5hE1 LYS 162 HD3 -0.01 0.21 -0.43 -0.04 1.68 1.41 2r5hE1 LYS 162 HE2 -0.02 -0.07 -0.11 -0.04 2.99 2.75 2r5hE1 LYS 162 HE3 -0.06 -0.01 -0.07 -0.04 2.99 2.81 2r5hE1 PRO 163 HA -0.36 0.13 0.44 -0.51 4.44 4.14 2r5hE1 PRO 163 HB2 -0.45 0.08 -0.01 -0.04 2.28 1.85 2r5hE1 PRO 163 HB3 -0.86 -0.01 -0.03 -0.04 2.02 1.08 2r5hE1 PRO 163 HG2 -0.15 0.02 -0.04 -0.04 2.03 1.82 2r5hE1 PRO 163 HG3 -0.22 0.01 -0.04 -0.04 2.03 1.74 2r5hE1 PRO 163 HD2 0.04 0.04 0.11 -0.04 3.68 3.83 2r5hE1 PRO 163 HD3 0.29 0.12 0.04 -0.04 3.65 4.06 2r5hE1 PRO 164 HA -0.10 0.05 0.35 -0.51 4.44 4.23 2r5hE1 PRO 164 HB2 -0.17 -0.05 -0.21 -0.04 2.28 1.82 2r5hE1 PRO 164 HB3 -0.09 0.03 -0.05 -0.04 2.02 1.87 2r5hE1 PRO 164 HG2 -0.19 0.09 0.10 -0.04 2.03 1.98 2r5hE1 PRO 164 HG3 -0.14 0.02 -0.05 -0.04 2.03 1.81 2r5hE1 PRO 164 HD2 -0.52 0.09 0.14 -0.04 3.68 3.35 2r5hE1 PRO 164 HD3 -0.15 0.20 -0.00 -0.04 3.65 3.66 2r5hE1 ILE 165 H -0.14 0.13 0.04 -0.55 8.25 7.73 2r5hE1 ILE 165 HA -0.14 0.36 1.26 -0.75 4.18 4.90 2r5hE1 ILE 165 HB -0.10 -0.06 0.07 -0.04 1.89 1.75 2r5hE1 ILE 165 HG12 -0.09 -0.04 -0.25 -0.04 1.49 1.07 2r5hE1 ILE 165 HG13 -0.11 0.12 -0.71 -0.04 1.21 0.47 2r5hE1 ILE 165 HG23 -0.11 -0.05 -0.21 -0.04 0.93 0.53 2r5hE1 ILE 165 HD13 -0.06 -0.02 -0.11 -0.04 0.88 0.66 2r5hE1 GLY 166 H -0.16 0.70 0.21 -0.55 8.43 8.63 2r5hE1 GLY 166 HA2 -0.22 -0.03 0.64 -0.51 4.01 3.90 2r5hE1 GLY 166 HA3 -0.17 0.04 0.13 -0.51 4.01 3.50 2r5hE1 GLU 167 H -0.09 0.62 0.35 -0.55 8.60 8.94 2r5hE1 GLU 167 HA -0.09 0.45 0.87 -0.75 4.29 4.76 2r5hE1 GLU 167 HB2 -0.25 -0.02 -0.02 -0.04 2.09 1.76 2r5hE1 GLU 167 HB3 -0.20 0.01 -0.03 -0.04 1.99 1.73 2r5hE1 GLU 167 HG2 -0.16 -0.10 -0.09 -0.04 2.34 1.96 2r5hE1 GLU 167 HG3 -0.10 0.37 0.03 -0.04 2.34 2.60 2r5hE1 HIS 168 H -0.36 0.34 0.25 -0.55 8.41 8.09 2r5hE1 HIS 168 HA -0.19 0.00 0.08 -0.75 4.63 3.77 2r5hE1 HIS 168 HB2 -0.05 -0.14 -0.14 -0.04 3.26 2.90 2r5hE1 HIS 168 HB3 -0.07 0.19 0.15 -0.04 3.20 3.43 2r5hE1 HIS 168 HD2 -0.10 -0.03 -0.56 -0.04 6.97 6.24 2r5hE1 HIS 168 HE1 -0.02 -0.04 -0.20 -0.04 7.75 7.44 2r5hE1 TRP 169 H 0.24 0.33 0.13 -0.55 7.97 8.13 2r5hE1 TRP 169 HA -0.18 0.18 0.72 -0.75 4.62 4.59 2r5hE1 TRP 169 HB2 -0.02 -0.00 0.19 -0.04 3.23 3.35 2r5hE1 TRP 169 HB3 -0.04 0.00 0.12 -0.04 3.23 3.27 2r5hE1 TRP 169 HD1 0.01 0.43 0.19 -0.04 7.22 7.81 2r5hE1 TRP 169 HE1 0.01 -0.03 -0.00 -0.04 10.20 10.14 2r5hE1 TRP 169 HE3 -0.05 -0.06 -0.24 -0.04 7.59 7.20 2r5hE1 TRP 169 HZ2 0.01 0.00 -0.03 -0.04 7.44 7.38 2r5hE1 TRP 169 HZ3 -0.02 -0.01 -0.07 -0.04 7.13 6.98 2r5hE1 TRP 169 HH2 -0.00 0.02 -0.03 -0.04 7.19 7.14 2r5hE1 GLY 170 H 0.20 0.15 0.34 -0.55 8.43 8.57 2r5hE1 GLY 170 HA2 0.12 0.04 0.38 -0.51 4.01 4.04 2r5hE1 GLY 170 HA3 0.07 0.07 0.30 -0.51 4.01 3.94 2r5hE1 LYS 171 H 0.06 0.15 0.05 -0.55 8.42 8.12 2r5hE1 LYS 171 HA 0.05 0.78 0.81 -0.75 4.32 5.20 2r5hE1 LYS 171 HB2 0.03 0.02 0.04 -0.04 1.87 1.92 2r5hE1 LYS 171 HB3 0.03 -0.06 0.21 -0.04 1.79 1.92 2r5hE1 LYS 171 HG2 0.02 -0.03 -0.26 -0.04 1.46 1.15 2r5hE1 LYS 171 HG3 0.02 -0.00 0.04 -0.04 1.46 1.48 2r5hE1 LYS 171 HD2 0.02 -0.04 0.02 -0.04 1.69 1.64 2r5hE1 LYS 171 HD3 0.01 -0.02 -0.01 -0.04 1.68 1.61 2r5hE1 LYS 171 HE2 0.01 0.02 -0.02 -0.04 2.99 2.96 2r5hE1 LYS 171 HE3 0.02 0.08 0.03 -0.04 2.99 3.08 2r5hE1 GLY 172 H 0.05 0.49 -0.16 -0.55 8.43 8.25 2r5hE1 GLY 172 HA2 0.02 0.05 0.62 -0.51 4.01 4.19 2r5hE1 GLY 172 HA3 0.03 0.00 0.23 -0.51 4.01 3.76 2r5hE1 SER 173 H 0.02 0.25 -0.05 -0.55 8.46 8.13 2r5hE1 SER 173 HA 0.01 0.01 0.31 -0.75 4.49 4.06 2r5hE1 SER 173 HB2 0.01 -0.04 -0.02 -0.04 3.95 3.86 2r5hE1 SER 173 HB3 0.01 0.02 -0.12 -0.04 3.93 3.79 2r5hE1 PRO 174 HA 0.01 0.12 0.30 -0.51 4.44 4.36 2r5hE1 PRO 174 HB2 0.01 -0.03 -0.01 -0.04 2.28 2.20 2r5hE1 PRO 174 HB3 0.01 0.06 0.17 -0.04 2.02 2.22 2r5hE1 PRO 174 HG2 0.01 0.02 0.04 -0.04 2.03 2.06 2r5hE1 PRO 174 HG3 0.01 0.10 0.07 -0.04 2.03 2.17 2r5hE1 PRO 174 HD2 0.01 0.06 0.13 -0.04 3.68 3.84 2r5hE1 PRO 174 HD3 0.01 0.12 0.09 -0.04 3.65 3.83 2r5hE1 CYS 175 H 0.01 0.31 0.16 -0.55 8.50 8.43 2r5hE1 CYS 175 HA 0.01 0.09 0.66 -0.75 4.58 4.58 2r5hE1 CYS 175 HB2 0.01 0.00 0.12 -0.04 2.97 3.06 2r5hE1 CYS 175 HB3 0.01 -0.01 -0.08 -0.04 2.97 2.84 2r5hE1 THR 176 H 0.01 0.15 0.05 -0.55 8.28 7.93 2r5hE1 THR 176 HA 0.00 0.07 0.15 -0.75 4.39 3.86 2r5hE1 THR 176 HB 0.00 -0.01 0.15 -0.04 4.32 4.42 2r5hE1 THR 176 HG23 0.00 -0.01 -0.10 -0.04 1.22 1.07 2r5hE1 GLN 177 H 0.00 0.47 0.24 -0.55 8.47 8.64 2r5hE1 GLN 177 HA 0.00 -0.01 0.40 -0.75 4.36 4.00 2r5hE1 GLN 177 HB2 0.00 0.03 -0.15 -0.04 2.15 1.99 2r5hE1 GLN 177 HB3 0.00 -0.08 0.11 -0.04 2.02 2.01 2r5hE1 GLN 177 HG2 0.00 -0.10 0.11 -0.04 2.40 2.37 2r5hE1 GLN 177 HG3 0.00 1.09 0.35 -0.04 2.39 3.79 2r5hE1 GLN 177 HE21 0.00 -0.03 -0.01 -0.04 6.97 6.89 2r5hE1 GLN 177 HE22 0.00 -0.01 0.01 -0.04 7.69 7.65 2r5hE1 VAL 178 H 0.00 0.13 0.12 -0.55 8.24 7.94 2r5hE1 VAL 178 HA 0.00 0.03 0.31 -0.75 4.13 3.72 2r5hE1 VAL 178 HB 0.00 0.11 0.21 -0.04 2.12 2.41 2r5hE1 VAL 178 HG13 -0.00 -0.01 0.01 -0.04 0.97 0.93 2r5hE1 VAL 178 HG23 0.00 0.00 -0.06 -0.04 0.95 0.85 2r5hE1 ALA 179 H 0.00 0.05 -0.07 -0.55 8.40 7.84 2r5hE1 ALA 179 HA 0.00 0.16 0.34 -0.75 4.34 4.08 2r5hE1 ALA 179 HB3 0.00 -0.00 0.10 -0.04 1.41 1.47 2r5hE1 VAL 180 H 0.00 0.98 -0.31 -0.55 8.24 8.36 2r5hE1 VAL 180 HA -0.00 -0.01 0.28 -0.75 4.13 3.64 2r5hE1 VAL 180 HB -0.00 -0.03 -0.33 -0.04 2.12 1.72 2r5hE1 VAL 180 HG13 -0.00 0.08 -0.11 -0.04 0.97 0.90 2r5hE1 VAL 180 HG23 0.00 0.03 -0.28 -0.04 0.95 0.66 2r5hE1 GLN 181 H -0.00 0.17 0.08 -0.55 8.47 8.17 2r5hE1 GLN 181 HA -0.00 0.23 0.94 -0.75 4.36 4.77 2r5hE1 GLN 181 HB2 -0.00 -0.04 0.04 -0.04 2.15 2.11 2r5hE1 GLN 181 HB3 -0.00 -0.05 0.19 -0.04 2.02 2.12 2r5hE1 GLN 181 HG2 -0.00 0.01 0.05 -0.04 2.40 2.42 2r5hE1 GLN 181 HG3 -0.00 -0.04 0.02 -0.04 2.39 2.32 2r5hE1 GLN 181 HE21 -0.01 0.05 -0.01 -0.04 6.97 6.96 2r5hE1 GLN 181 HE22 -0.00 -0.05 0.02 -0.04 7.69 7.61 2r5hE1 PRO 182 HA -0.00 -0.02 0.36 -0.51 4.44 4.27 2r5hE1 PRO 182 HB2 -0.00 -0.02 0.10 -0.04 2.28 2.31 2r5hE1 PRO 182 HB3 -0.00 0.03 0.02 -0.04 2.02 2.03 2r5hE1 PRO 182 HG2 -0.00 0.00 0.07 -0.04 2.03 2.05 2r5hE1 PRO 182 HG3 -0.00 0.06 0.03 -0.04 2.03 2.08 2r5hE1 PRO 182 HD2 -0.00 0.00 0.21 -0.04 3.68 3.85 2r5hE1 PRO 182 HD3 -0.00 0.65 0.19 -0.04 3.65 4.45 2r5hE1 GLY 183 H -0.01 0.14 -0.04 -0.55 8.43 7.97 2r5hE1 GLY 183 HA2 -0.01 -0.03 0.40 -0.51 4.01 3.85 2r5hE1 GLY 183 HA3 -0.01 0.14 0.53 -0.51 4.01 4.16 2r5hE1 ASP 184 H -0.01 0.67 0.04 -0.55 8.40 8.56 2r5hE1 ASP 184 HA -0.01 -0.01 0.29 -0.75 4.63 4.15 2r5hE1 ASP 184 HB2 -0.00 -0.00 0.20 -0.04 2.71 2.86 2r5hE1 ASP 184 HB3 -0.00 0.08 0.21 -0.04 2.70 2.94 2r5hE1 CYS 185 H -0.01 0.16 0.43 -0.55 8.50 8.53 2r5hE1 CYS 185 HA -0.01 0.03 0.60 -0.75 4.58 4.44 2r5hE1 CYS 185 HB2 -0.02 -0.07 0.11 -0.04 2.97 2.95 2r5hE1 CYS 185 HB3 -0.01 -0.07 -0.10 -0.04 2.97 2.74 2r5hE1 PRO 186 HA 0.01 0.08 0.34 -0.51 4.44 4.36 2r5hE1 PRO 186 HB2 0.00 -0.07 -0.02 -0.04 2.28 2.15 2r5hE1 PRO 186 HB3 0.02 0.03 0.03 -0.04 2.02 2.06 2r5hE1 PRO 186 HG2 0.01 0.05 0.12 -0.04 2.03 2.18 2r5hE1 PRO 186 HG3 0.01 0.06 0.08 -0.04 2.03 2.14 2r5hE1 PRO 186 HD2 -0.01 0.05 0.26 -0.04 3.68 3.94 2r5hE1 PRO 186 HD3 -0.00 0.13 0.14 -0.04 3.65 3.87 2r5hE1 PRO 187 HA 0.00 0.07 0.65 -0.51 4.44 4.65 2r5hE1 PRO 187 HB2 0.02 -0.11 -0.12 -0.04 2.28 2.04 2r5hE1 PRO 187 HB3 0.02 0.11 -0.01 -0.04 2.02 2.10 2r5hE1 PRO 187 HG2 0.01 -0.03 -0.02 -0.04 2.03 1.95 2r5hE1 PRO 187 HG3 0.01 0.05 0.04 -0.04 2.03 2.09 2r5hE1 PRO 187 HD2 0.01 0.02 0.12 -0.04 3.68 3.79 2r5hE1 PRO 187 HD3 0.00 0.31 -0.00 -0.04 3.65 3.92 2r5hE1 LEU 188 H -0.02 0.10 0.06 -0.55 8.37 7.96 2r5hE1 LEU 188 HA 0.07 0.29 0.60 -0.75 4.35 4.56 2r5hE1 LEU 188 HB2 -0.13 -0.01 0.12 -0.04 1.64 1.58 2r5hE1 LEU 188 HB3 -0.03 -0.07 -0.04 -0.04 1.64 1.45 2r5hE1 LEU 188 HG -0.42 -0.05 -0.00 -0.04 1.64 1.13 2r5hE1 LEU 188 HD13 0.06 -0.02 -0.09 -0.04 0.93 0.84 2r5hE1 LEU 188 HD23 -0.13 0.02 -0.05 -0.04 0.89 0.67 2r5hE1 GLU 189 H 0.29 0.06 0.27 -0.55 8.60 8.68 2r5hE1 GLU 189 HA 0.26 -0.03 0.35 -0.75 4.29 4.12 2r5hE1 GLU 189 HB2 0.08 0.19 -0.18 -0.04 2.09 2.14 2r5hE1 GLU 189 HB3 0.05 -0.09 -0.06 -0.04 1.99 1.85 2r5hE1 GLU 189 HG2 0.01 0.04 -0.12 -0.04 2.34 2.23 2r5hE1 GLU 189 HG3 0.05 0.02 0.06 -0.04 2.34 2.43 2r5hE1 LEU 190 H 0.05 0.13 0.08 -0.55 8.37 8.08 2r5hE1 LEU 190 HA -0.74 0.09 0.42 -0.75 4.35 3.38 2r5hE1 LEU 190 HB2 -1.16 -0.01 0.07 -0.04 1.64 0.49 2r5hE1 LEU 190 HB3 -0.35 0.01 0.11 -0.04 1.64 1.37 2r5hE1 LEU 190 HG -0.40 0.00 -0.22 -0.04 1.64 0.98 2r5hE1 LEU 190 HD13 -0.99 0.02 -0.06 -0.04 0.93 -0.14 2r5hE1 LEU 190 HD23 -0.46 -0.01 -0.05 -0.04 0.89 0.33 2r5hE1 ILE 191 H -0.55 0.59 0.39 -0.55 8.25 8.13 2r5hE1 ILE 191 HA -0.17 0.20 1.13 -0.75 4.18 4.59 2r5hE1 ILE 191 HB -0.87 0.03 0.11 -0.04 1.89 1.13 2r5hE1 ILE 191 HG12 -0.10 0.00 -0.28 -0.04 1.49 1.07 2r5hE1 ILE 191 HG13 -0.20 0.43 -0.28 -0.04 1.21 1.13 2r5hE1 ILE 191 HG23 0.01 0.01 -0.27 -0.04 0.93 0.63 2r5hE1 ILE 191 HD13 -0.05 -0.03 -0.20 -0.04 0.88 0.56 2r5hE1 ASN 192 H -0.09 0.13 0.15 -0.55 8.53 8.17 2r5hE1 ASN 192 HA -0.09 0.33 0.81 -0.75 4.76 5.06 2r5hE1 ASN 192 HB2 -0.06 -0.03 0.03 -0.04 2.88 2.78 2r5hE1 ASN 192 HB3 -0.08 0.01 0.07 -0.04 2.79 2.75 2r5hE1 ASN 192 HD21 -0.09 -0.01 -0.05 -0.04 7.03 6.84 2r5hE1 ASN 192 HD22 -0.07 0.02 0.03 -0.04 7.74 7.67 2r5hE1 THR 193 H -0.06 0.59 0.24 -0.55 8.28 8.50 2r5hE1 THR 193 HA -0.00 0.05 0.39 -0.75 4.39 4.07 2r5hE1 THR 193 HB 0.06 0.20 -0.20 -0.04 4.32 4.34 2r5hE1 THR 193 HG23 0.02 -0.01 -0.47 -0.04 1.22 0.71 2r5hE1 VAL 194 H 0.01 0.14 0.05 -0.55 8.24 7.90 2r5hE1 VAL 194 HA -0.14 0.25 0.57 -0.75 4.13 4.06 2r5hE1 VAL 194 HB -0.03 -0.02 0.06 -0.04 2.12 2.08 2r5hE1 VAL 194 HG13 -0.33 -0.01 -0.33 -0.04 0.97 0.26 2r5hE1 VAL 194 HG23 -0.34 0.01 -0.03 -0.04 0.95 0.54 2r5hE1 ILE 195 H -0.16 0.46 0.14 -0.55 8.25 8.14 2r5hE1 ILE 195 HA -0.20 0.07 0.27 -0.75 4.18 3.56 2r5hE1 ILE 195 HB -0.33 -0.05 -0.05 -0.04 1.89 1.42 2r5hE1 ILE 195 HG12 -0.40 0.04 -0.21 -0.04 1.49 0.87 2r5hE1 ILE 195 HG13 -0.25 -0.05 -0.11 -0.04 1.21 0.76 2r5hE1 ILE 195 HG23 -0.72 0.02 -0.19 -0.04 0.93 -0.00 2r5hE1 ILE 195 HD13 -0.41 -0.03 -0.35 -0.04 0.88 0.05 2r5hE1 GLN 196 H -0.10 0.13 0.23 -0.55 8.47 8.18 2r5hE1 GLN 196 HA -0.00 0.08 0.58 -0.75 4.36 4.27 2r5hE1 GLN 196 HB2 -0.12 -0.04 0.00 -0.04 2.15 1.95 2r5hE1 GLN 196 HB3 -0.32 0.28 0.27 -0.04 2.02 2.21 2r5hE1 GLN 196 HG2 -0.08 -0.05 -0.19 -0.04 2.40 2.04 2r5hE1 GLN 196 HG3 -0.02 0.19 0.03 -0.04 2.39 2.54 2r5hE1 GLN 196 HE21 -0.12 0.10 0.09 -0.04 6.97 6.99 2r5hE1 GLN 196 HE22 0.11 0.00 0.03 -0.04 7.69 7.79 2r5hE1 ASP 197 H -0.12 0.77 0.45 -0.55 8.40 8.96 2r5hE1 ASP 197 HA 0.03 -0.08 0.39 -0.75 4.63 4.22 2r5hE1 ASP 197 HB2 0.09 0.05 0.35 -0.04 2.71 3.16 2r5hE1 ASP 197 HB3 -0.03 0.10 0.18 -0.04 2.70 2.91 2r5hE1 GLY 198 H 0.06 0.59 0.28 -0.55 8.43 8.80 2r5hE1 GLY 198 HA2 0.01 -0.03 0.37 -0.51 4.01 3.85 2r5hE1 GLY 198 HA3 -0.02 0.24 1.09 -0.51 4.01 4.81 2r5hE1 ASP 199 H 0.05 0.28 0.08 -0.55 8.40 8.26 2r5hE1 ASP 199 HA 0.01 0.08 0.12 -0.75 4.63 4.09 2r5hE1 ASP 199 HB2 -0.03 -0.02 0.10 -0.04 2.71 2.72 2r5hE1 ASP 199 HB3 -0.02 0.04 -0.03 -0.04 2.70 2.65 2r5hE1 MET 200 H 0.05 0.25 0.35 -0.55 8.47 8.57 2r5hE1 MET 200 HA 0.08 0.23 0.73 -0.75 4.52 4.80 2r5hE1 MET 200 HB2 0.06 0.19 0.22 -0.04 2.15 2.57 2r5hE1 MET 200 HB3 0.06 -0.02 -0.05 -0.04 2.03 1.98 2r5hE1 MET 200 HG2 0.06 -0.04 0.13 -0.04 2.63 2.74 2r5hE1 MET 200 HG3 0.08 0.03 0.01 -0.04 2.56 2.64 2r5hE1 MET 200 HE3 0.05 0.00 -0.18 -0.04 2.10 1.93 2r5hE1 VAL 201 H 0.01 0.83 0.35 -0.55 8.24 8.88 2r5hE1 VAL 201 HA 0.23 0.12 0.28 -0.75 4.13 4.00 2r5hE1 VAL 201 HB -0.11 -0.11 0.13 -0.04 2.12 1.99 2r5hE1 VAL 201 HG13 -0.38 0.10 -0.07 -0.04 0.97 0.58 2r5hE1 VAL 201 HG23 -0.08 0.12 -0.08 -0.04 0.95 0.87 2r5hE1 ASP 202 H 0.12 0.10 0.04 -0.55 8.40 8.11 2r5hE1 ASP 202 HA 0.07 0.15 0.58 -0.75 4.63 4.67 2r5hE1 ASP 202 HB2 0.07 0.03 -0.01 -0.04 2.71 2.75 2r5hE1 ASP 202 HB3 0.02 0.03 -0.14 -0.04 2.70 2.57 2r5hE1 THR 203 H 0.03 0.02 0.12 -0.55 8.28 7.89 2r5hE1 THR 203 HA -0.10 0.35 0.89 -0.75 4.39 4.78 2r5hE1 THR 203 HB -1.40 -0.04 0.09 -0.04 4.32 2.92 2r5hE1 THR 203 HG23 -0.45 0.08 -0.30 -0.04 1.22 0.51 2r5hE1 GLY 204 H 0.01 -0.01 0.11 -0.55 8.43 7.99 2r5hE1 GLY 204 HA2 -0.06 0.04 0.26 -0.51 4.01 3.74 2r5hE1 GLY 204 HA3 -0.16 0.25 0.96 -0.51 4.01 4.55 2r5hE1 PHE 205 H 0.09 -0.00 -0.07 -0.55 8.34 7.81 2r5hE1 PHE 205 HA 0.14 0.32 0.88 -0.75 4.62 5.21 2r5hE1 PHE 205 HB2 0.20 -0.04 0.03 -0.04 3.15 3.30 2r5hE1 PHE 205 HB3 0.22 0.05 0.12 -0.04 3.06 3.40 2r5hE1 PHE 205 HD2 0.17 -0.02 -0.02 -0.04 7.28 7.36 2r5hE1 PHE 205 HE2 0.26 0.07 -0.01 -0.04 7.38 7.66 2r5hE1 PHE 205 HZ 0.32 -0.06 -0.08 -0.04 7.32 7.46 2r5hE1 GLY 206 H 0.13 -0.09 -0.30 -0.55 8.43 7.63 2r5hE1 GLY 206 HA2 0.12 -0.03 0.26 -0.51 4.01 3.85 2r5hE1 GLY 206 HA3 0.21 0.23 0.59 -0.51 4.01 4.53 2r5hE1 ALA 207 H 0.16 0.13 0.08 -0.55 8.40 8.22 2r5hE1 ALA 207 HA 0.07 0.19 0.91 -0.75 4.34 4.76 2r5hE1 ALA 207 HB3 0.12 0.01 0.13 -0.04 1.41 1.63 2r5hE1 MET 208 H -0.14 0.30 0.22 -0.55 8.47 8.30 2r5hE1 MET 208 HA 0.22 -0.02 0.36 -0.75 4.52 4.32 2r5hE1 MET 208 HB2 0.10 0.02 0.09 -0.04 2.15 2.31 2r5hE1 MET 208 HB3 0.24 0.08 0.11 -0.04 2.03 2.42 2r5hE1 MET 208 HG2 -0.37 -0.06 -0.38 -0.04 2.63 1.78 2r5hE1 MET 208 HG3 -0.24 0.05 -0.37 -0.04 2.56 1.95 2r5hE1 MET 208 HE3 0.16 -0.00 -0.09 -0.04 2.10 2.13 2r5hE1 ASP 209 H 0.06 0.38 0.13 -0.55 8.40 8.41 2r5hE1 ASP 209 HA -0.15 0.16 0.87 -0.75 4.63 4.75 2r5hE1 ASP 209 HB2 0.13 0.10 0.01 -0.04 2.71 2.91 2r5hE1 ASP 209 HB3 0.09 -0.05 0.18 -0.04 2.70 2.88 2r5hE1 PHE 210 H -0.06 0.93 0.27 -0.55 8.34 8.92 2r5hE1 PHE 210 HA 0.04 0.04 0.69 -0.75 4.62 4.64 2r5hE1 PHE 210 HB2 0.04 0.18 0.00 -0.04 3.15 3.33 2r5hE1 PHE 210 HB3 0.03 -0.03 0.03 -0.04 3.06 3.04 2r5hE1 PHE 210 HD2 0.05 0.10 -0.21 -0.04 7.28 7.18 2r5hE1 PHE 210 HE2 0.08 0.03 -0.17 -0.04 7.38 7.28 2r5hE1 PHE 210 HZ 0.18 0.02 -0.17 -0.04 7.32 7.31 2r5hE1 THR 211 H 0.13 0.17 -0.03 -0.55 8.28 8.00 2r5hE1 THR 211 HA 0.08 0.20 0.41 -0.75 4.39 4.33 2r5hE1 THR 211 HB 0.04 -0.07 -0.02 -0.04 4.32 4.23 2r5hE1 THR 211 HG23 0.03 0.01 0.03 -0.04 1.22 1.25 2r5hE1 THR 212 H 0.07 -0.04 -0.78 -0.55 8.28 6.98 2r5hE1 THR 212 HA 0.04 0.44 1.00 -0.75 4.39 5.12 2r5hE1 THR 212 HB 0.04 0.03 0.02 -0.04 4.32 4.37 2r5hE1 THR 212 HG23 0.04 -0.01 -0.20 -0.04 1.22 1.01 2r5hE1 LEU 213 H 0.09 0.19 -0.20 -0.55 8.37 7.90 2r5hE1 LEU 213 HA 0.04 0.12 0.59 -0.75 4.35 4.35 2r5hE1 LEU 213 HB2 0.12 0.28 0.25 -0.04 1.64 2.25 2r5hE1 LEU 213 HB3 0.09 -0.05 0.00 -0.04 1.64 1.63 2r5hE1 LEU 213 HG 0.09 -0.07 -0.06 -0.04 1.64 1.55 2r5hE1 LEU 213 HD13 0.02 -0.00 -0.07 -0.04 0.93 0.84 2r5hE1 LEU 213 HD23 0.07 0.01 -0.34 -0.04 0.89 0.59 2r5hE1 GLN 214 H 0.09 0.42 0.02 -0.55 8.47 8.46 2r5hE1 GLN 214 HA 0.01 0.11 0.98 -0.75 4.36 4.69 2r5hE1 GLN 214 HB2 0.06 0.17 0.19 -0.04 2.15 2.53 2r5hE1 GLN 214 HB3 -0.03 -0.20 0.06 -0.04 2.02 1.81 2r5hE1 GLN 214 HG2 0.02 0.11 -0.19 -0.04 2.40 2.29 2r5hE1 GLN 214 HG3 0.17 -0.02 -0.09 -0.04 2.39 2.40 2r5hE1 GLN 214 HE21 -0.24 0.03 -0.09 -0.04 6.97 6.63 2r5hE1 GLN 214 HE22 0.01 0.06 -0.07 -0.04 7.69 7.65 2r5hE1 ALA 215 H -0.00 0.18 0.03 -0.55 8.40 8.06 2r5hE1 ALA 215 HA 0.01 0.22 0.59 -0.75 4.34 4.41 2r5hE1 ALA 215 HB3 -0.00 0.01 0.00 -0.04 1.41 1.38 2r5hE1 ASN 216 H -0.03 0.03 -0.01 -0.55 8.53 7.98 2r5hE1 ASN 216 HA -0.04 0.07 0.37 -0.75 4.76 4.40 2r5hE1 ASN 216 HB2 -0.07 0.05 0.09 -0.04 2.88 2.91 2r5hE1 ASN 216 HB3 -0.07 -0.13 0.04 -0.04 2.79 2.58 2r5hE1 ASN 216 HD21 -0.12 0.03 -0.04 -0.04 7.03 6.85 2r5hE1 ASN 216 HD22 -0.09 0.02 -0.01 -0.04 7.74 7.61 2r5hE1 LYS 217 H -0.03 0.05 -0.34 -0.55 8.42 7.54 2r5hE1 LYS 217 HA 0.02 0.12 0.14 -0.75 4.32 3.84 2r5hE1 LYS 217 HB2 0.01 0.14 -0.27 -0.04 1.87 1.70 2r5hE1 LYS 217 HB3 0.00 0.19 0.10 -0.04 1.79 2.04 2r5hE1 LYS 217 HG2 0.04 -0.06 0.14 -0.04 1.46 1.54 2r5hE1 LYS 217 HG3 0.04 -0.03 0.03 -0.04 1.46 1.46 2r5hE1 LYS 217 HD2 0.01 -0.04 0.02 -0.04 1.69 1.63 2r5hE1 LYS 217 HD3 0.01 -0.03 0.01 -0.04 1.68 1.63 2r5hE1 LYS 217 HE2 0.02 0.03 0.02 -0.04 2.99 3.02 2r5hE1 LYS 217 HE3 0.01 0.12 -0.01 -0.04 2.99 3.07 2r5hE1 SER 218 H -0.10 -0.08 -0.45 -0.55 8.46 7.29 2r5hE1 SER 218 HA -0.12 0.03 0.24 -0.75 4.49 3.88 2r5hE1 SER 218 HB2 -0.72 0.14 0.07 -0.04 3.95 3.39 2r5hE1 SER 218 HB3 -0.26 0.18 0.17 -0.04 3.93 3.99 2r5hE1 GLU 219 H -0.18 0.14 0.08 -0.55 8.60 8.10 2r5hE1 GLU 219 HA -0.34 0.12 0.64 -0.75 4.29 3.95 2r5hE1 GLU 219 HB2 -0.33 0.04 0.04 -0.04 2.09 1.80 2r5hE1 GLU 219 HB3 -0.42 0.09 0.16 -0.04 1.99 1.78 2r5hE1 GLU 219 HG2 -0.20 -0.15 -0.52 -0.04 2.34 1.43 2r5hE1 GLU 219 HG3 -0.16 -0.03 -0.02 -0.04 2.34 2.08 2r5hE1 VAL 220 H -0.16 0.13 0.05 -0.55 8.24 7.71 2r5hE1 VAL 220 HA -0.17 0.21 0.62 -0.75 4.13 4.03 2r5hE1 VAL 220 HB -0.13 0.01 -0.18 -0.04 2.12 1.78 2r5hE1 VAL 220 HG13 -0.86 0.03 -0.22 -0.04 0.97 -0.13 2r5hE1 VAL 220 HG23 -0.64 -0.05 -0.11 -0.04 0.95 0.11 2r5hE1 PRO 221 HA 0.22 0.00 -0.20 -0.51 4.44 3.95 2r5hE1 PRO 221 HB2 0.45 -0.04 -0.09 -0.04 2.28 2.57 2r5hE1 PRO 221 HB3 0.28 -0.02 -0.13 -0.04 2.02 2.11 2r5hE1 PRO 221 HG2 0.26 0.05 -0.11 -0.04 2.03 2.20 2r5hE1 PRO 221 HG3 0.14 0.12 -0.15 -0.04 2.03 2.09 2r5hE1 PRO 221 HD2 0.41 0.12 0.04 -0.04 3.68 4.21 2r5hE1 PRO 221 HD3 0.27 0.19 0.03 -0.04 3.65 4.09 2r5hE1 LEU 222 H 0.15 0.79 0.30 -0.55 8.37 9.05 2r5hE1 LEU 222 HA 0.03 0.08 0.56 -0.75 4.35 4.25 2r5hE1 LEU 222 HB2 -0.04 0.20 0.32 -0.04 1.64 2.07 2r5hE1 LEU 222 HB3 0.18 -0.03 -0.00 -0.04 1.64 1.74 2r5hE1 LEU 222 HG -0.10 0.05 0.05 -0.04 1.64 1.60 2r5hE1 LEU 222 HD13 -0.80 -0.02 0.11 -0.04 0.93 0.18 2r5hE1 LEU 222 HD23 0.04 -0.01 -0.01 -0.04 0.89 0.88 2r5hE1 ASP 223 H 0.45 0.03 -0.05 -0.55 8.40 8.29 2r5hE1 ASP 223 HA 0.25 0.37 0.84 -0.75 4.63 5.33 2r5hE1 ASP 223 HB2 0.14 0.07 0.05 -0.04 2.71 2.92 2r5hE1 ASP 223 HB3 0.20 -0.03 0.30 -0.04 2.70 3.12 2r5hE1 ILE 224 H 0.20 0.38 -0.28 -0.55 8.25 8.00 2r5hE1 ILE 224 HA 0.19 0.28 0.96 -0.75 4.18 4.86 2r5hE1 ILE 224 HB 0.33 -0.03 -0.20 -0.04 1.89 1.96 2r5hE1 ILE 224 HG12 0.27 -0.09 -0.14 -0.04 1.49 1.49 2r5hE1 ILE 224 HG13 0.05 0.12 -0.21 -0.04 1.21 1.13 2r5hE1 ILE 224 HG23 0.13 -0.01 -0.18 -0.04 0.93 0.82 2r5hE1 ILE 224 HD13 0.21 -0.02 -0.15 -0.04 0.88 0.88 2r5hE1 CYS 225 H 0.08 0.66 0.06 -0.55 8.50 8.74 2r5hE1 CYS 225 HA -0.03 -0.08 0.27 -0.75 4.58 3.99 2r5hE1 CYS 225 HB2 0.07 0.01 -0.20 -0.04 2.97 2.80 2r5hE1 CYS 225 HB3 0.03 -0.14 0.05 -0.04 2.97 2.86 2r5hE1 THR 226 H 0.13 0.15 -0.72 -0.55 8.28 7.30 2r5hE1 THR 226 HA 0.09 0.14 0.81 -0.75 4.39 4.67 2r5hE1 THR 226 HB 0.05 -0.02 0.17 -0.04 4.32 4.48 2r5hE1 THR 226 HG23 0.04 -0.00 -0.06 -0.04 1.22 1.16 2r5hE1 SER 227 H 0.21 0.84 0.14 -0.55 8.46 9.11 2r5hE1 SER 227 HA 0.05 0.20 0.97 -0.75 4.49 4.95 2r5hE1 SER 227 HB2 0.09 0.02 0.13 -0.04 3.95 4.15 2r5hE1 SER 227 HB3 0.05 -0.03 0.20 -0.04 3.93 4.11 2r5hE1 ILE 228 H -0.02 0.20 0.25 -0.55 8.25 8.12 2r5hE1 ILE 228 HA -0.20 0.21 1.21 -0.75 4.18 4.64 2r5hE1 ILE 228 HB -0.18 -0.03 0.10 -0.04 1.89 1.74 2r5hE1 ILE 228 HG12 -0.22 0.05 -0.06 -0.04 1.49 1.22 2r5hE1 ILE 228 HG13 -0.12 -0.08 -0.11 -0.04 1.21 0.86 2r5hE1 ILE 228 HG23 -0.57 -0.00 -0.27 -0.04 0.93 0.04 2r5hE1 ILE 228 HD13 -0.05 -0.01 0.02 -0.04 0.88 0.80 2r5hE1 CYS 229 H -0.24 0.72 0.35 -0.55 8.50 8.77 2r5hE1 CYS 229 HA 0.03 0.69 0.85 -0.75 4.58 5.40 2r5hE1 CYS 229 HB2 -0.17 -0.13 0.23 -0.04 2.97 2.86 2r5hE1 CYS 229 HB3 0.05 -0.13 0.12 -0.04 2.97 2.97 2r5hE1 LYS 230 H 0.12 0.68 0.20 -0.55 8.42 8.86 2r5hE1 LYS 230 HA 0.05 0.32 0.74 -0.75 4.32 4.67 2r5hE1 LYS 230 HB2 -0.06 0.05 -0.06 -0.04 1.87 1.76 2r5hE1 LYS 230 HB3 -0.14 -0.10 -0.19 -0.04 1.79 1.32 2r5hE1 LYS 230 HG2 -0.05 0.15 -0.35 -0.04 1.46 1.17 2r5hE1 LYS 230 HG3 -0.24 -0.05 -0.43 -0.04 1.46 0.69 2r5hE1 LYS 230 HD2 -0.11 -0.02 -0.36 -0.04 1.69 1.16 2r5hE1 LYS 230 HD3 -0.23 0.01 -0.28 -0.04 1.68 1.13 2r5hE1 LYS 230 HE2 -0.14 0.02 -0.11 -0.04 2.99 2.72 2r5hE1 LYS 230 HE3 -0.19 -0.07 -0.15 -0.04 2.99 2.54 2r5hE1 TYR 231 H 0.12 0.51 0.26 -0.55 8.29 8.63 2r5hE1 TYR 231 HA 0.08 0.17 0.79 -0.75 4.56 4.84 2r5hE1 TYR 231 HB2 0.02 -0.04 -0.05 -0.04 3.06 2.94 2r5hE1 TYR 231 HB3 -0.06 -0.03 0.03 -0.04 2.98 2.88 2r5hE1 TYR 231 HD2 -0.02 -0.02 -0.04 -0.04 7.15 7.02 2r5hE1 TYR 231 HE2 0.06 -0.03 -0.03 -0.04 6.85 6.81 2r5hE1 PRO 232 HA -0.41 0.11 0.39 -0.51 4.44 4.02 2r5hE1 PRO 232 HB2 -1.74 -0.06 0.06 -0.04 2.28 0.50 2r5hE1 PRO 232 HB3 -0.52 0.07 -0.09 -0.04 2.02 1.44 2r5hE1 PRO 232 HG2 -0.15 0.04 -0.03 -0.04 2.03 1.85 2r5hE1 PRO 232 HG3 -0.05 0.08 -0.10 -0.04 2.03 1.92 2r5hE1 PRO 232 HD2 -0.63 0.07 0.15 -0.04 3.68 3.23 2r5hE1 PRO 232 HD3 0.18 0.30 0.08 -0.04 3.65 4.18 2r5hE1 ASP 233 H -0.30 0.34 0.43 -0.55 8.40 8.32 2r5hE1 ASP 233 HA -0.26 0.06 0.74 -0.75 4.63 4.41 2r5hE1 ASP 233 HB2 -0.17 0.07 -0.05 -0.04 2.71 2.52 2r5hE1 ASP 233 HB3 -0.15 0.05 0.15 -0.04 2.70 2.71 2r5hE1 TYR 234 H -0.62 0.56 -0.10 -0.55 8.29 7.58 2r5hE1 TYR 234 HA -0.28 0.08 0.32 -0.75 4.56 3.92 2r5hE1 TYR 234 HB2 -0.12 -0.09 0.14 -0.04 3.06 2.95 2r5hE1 TYR 234 HB3 -0.25 0.05 -0.02 -0.04 2.98 2.73 2r5hE1 TYR 234 HD2 -0.30 -0.02 -0.04 -0.04 7.15 6.75 2r5hE1 TYR 234 HE2 -0.15 -0.01 -0.07 -0.04 6.85 6.58 2r5hE1 ILE 235 H 0.06 0.14 -0.05 -0.55 8.25 7.84 2r5hE1 ILE 235 HA 0.03 0.05 0.26 -0.75 4.18 3.77 2r5hE1 ILE 235 HB -0.01 -0.02 -0.01 -0.04 1.89 1.82 2r5hE1 ILE 235 HG12 0.05 -0.10 0.10 -0.04 1.49 1.51 2r5hE1 ILE 235 HG13 0.04 0.06 0.03 -0.04 1.21 1.30 2r5hE1 ILE 235 HG23 0.02 0.02 -0.05 -0.04 0.93 0.88 2r5hE1 ILE 235 HD13 0.07 0.02 0.01 -0.04 0.88 0.94 2r5hE1 LYS 236 H -0.05 0.04 -0.54 -0.55 8.42 7.32 2r5hE1 LYS 236 HA -0.02 0.08 0.31 -0.75 4.32 3.94 2r5hE1 LYS 236 HB2 -0.05 -0.06 0.01 -0.04 1.87 1.72 2r5hE1 LYS 236 HB3 -0.07 0.11 0.04 -0.04 1.79 1.83 2r5hE1 LYS 236 HG2 -0.03 0.00 -0.05 -0.04 1.46 1.34 2r5hE1 LYS 236 HG3 -0.03 -0.01 -0.01 -0.04 1.46 1.37 2r5hE1 LYS 236 HD2 -0.06 -0.01 -0.06 -0.04 1.69 1.52 2r5hE1 LYS 236 HD3 -0.04 0.01 -0.09 -0.04 1.68 1.51 2r5hE1 LYS 236 HE2 -0.03 0.00 -0.04 -0.04 2.99 2.88 2r5hE1 LYS 236 HE3 -0.02 0.01 -0.04 -0.04 2.99 2.89 2r5hE1 MET 237 H -0.06 0.56 0.07 -0.55 8.47 8.49 2r5hE1 MET 237 HA -0.03 -0.02 0.46 -0.75 4.52 4.18 2r5hE1 MET 237 HB2 -0.06 0.04 0.10 -0.04 2.15 2.18 2r5hE1 MET 237 HB3 -0.05 -0.11 -0.00 -0.04 2.03 1.83 2r5hE1 MET 237 HG2 -0.08 -0.04 0.03 -0.04 2.63 2.51 2r5hE1 MET 237 HG3 -0.11 0.40 0.12 -0.04 2.56 2.92 2r5hE1 MET 237 HE3 -0.15 0.02 -0.29 -0.04 2.10 1.64 2r5hE1 VAL 238 H -0.01 0.59 -0.24 -0.55 8.24 8.03 2r5hE1 VAL 238 HA 0.04 0.06 0.38 -0.75 4.13 3.86 2r5hE1 VAL 238 HB 0.03 0.04 -0.04 -0.04 2.12 2.10 2r5hE1 VAL 238 HG13 0.06 -0.00 -0.14 -0.04 0.97 0.86 2r5hE1 VAL 238 HG23 -0.00 -0.02 -0.12 -0.04 0.95 0.76 2r5hE1 SER 239 H 0.02 0.47 -0.01 -0.55 8.46 8.40 2r5hE1 SER 239 HA 0.04 0.04 0.41 -0.75 4.49 4.23 2r5hE1 SER 239 HB2 0.01 -0.01 0.02 -0.04 3.95 3.93 2r5hE1 SER 239 HB3 0.02 -0.07 0.11 -0.04 3.93 3.95 2r5hE1 GLU 240 H 0.02 0.21 -0.54 -0.55 8.60 7.75 2r5hE1 GLU 240 HA 0.03 -0.00 0.53 -0.75 4.29 4.09 2r5hE1 GLU 240 HB2 0.02 -0.05 0.17 -0.04 2.09 2.19 2r5hE1 GLU 240 HB3 0.04 0.68 0.15 -0.04 1.99 2.82 2r5hE1 GLU 240 HG2 0.07 -0.27 0.03 -0.04 2.34 2.12 2r5hE1 GLU 240 HG3 0.11 -0.24 -0.30 -0.04 2.34 1.87 2r5hE1 PRO 241 HA -0.02 0.17 0.38 -0.51 4.44 4.46 2r5hE1 PRO 241 HB2 -0.36 0.03 -0.00 -0.04 2.28 1.91 2r5hE1 PRO 241 HB3 -0.12 0.06 0.16 -0.04 2.02 2.08 2r5hE1 PRO 241 HG2 0.11 -0.20 0.20 -0.04 2.03 2.10 2r5hE1 PRO 241 HG3 0.01 0.10 0.14 -0.04 2.03 2.24 2r5hE1 PRO 241 HD2 0.05 0.02 0.26 -0.04 3.68 3.97 2r5hE1 PRO 241 HD3 0.01 0.19 0.27 -0.04 3.65 4.08 2r5hE1 TYR 242 H 0.10 0.14 0.09 -0.55 8.29 8.07 2r5hE1 TYR 242 HA 0.09 0.11 0.46 -0.75 4.56 4.46 2r5hE1 TYR 242 HB2 0.04 -0.05 0.08 -0.04 3.06 3.09 2r5hE1 TYR 242 HB3 0.14 -0.02 0.10 -0.04 2.98 3.16 2r5hE1 TYR 242 HD2 -0.01 -0.03 0.05 -0.04 7.15 7.12 2r5hE1 TYR 242 HE2 -0.53 0.05 0.04 -0.04 6.85 6.37 2r5hE1 GLY 243 H 0.15 0.28 -1.09 -0.55 8.43 7.23 2r5hE1 GLY 243 HA2 0.13 0.19 0.20 -0.51 4.01 4.03 2r5hE1 GLY 243 HA3 0.21 0.00 0.54 -0.51 4.01 4.25 2r5hE1 ASP 244 H 0.15 0.01 -0.28 -0.55 8.40 7.73 2r5hE1 ASP 244 HA 0.16 0.15 0.51 -0.75 4.63 4.70 2r5hE1 ASP 244 HB2 0.09 -0.04 -0.01 -0.04 2.71 2.71 2r5hE1 ASP 244 HB3 0.09 -0.01 -0.10 -0.04 2.70 2.63 2r5hE1 SER 245 H 0.02 0.00 -0.12 -0.55 8.46 7.82 2r5hE1 SER 245 HA -0.05 0.05 0.20 -0.75 4.49 3.94 2r5hE1 SER 245 HB2 -0.04 0.00 0.09 -0.04 3.95 3.97 2r5hE1 SER 245 HB3 -0.05 0.00 -0.00 -0.04 3.93 3.83 2r5hE1 LEU 246 H -0.05 0.29 -0.09 -0.55 8.37 7.97 2r5hE1 LEU 246 HA -0.28 0.35 0.88 -0.75 4.35 4.54 2r5hE1 LEU 246 HB2 0.03 0.06 -0.04 -0.04 1.64 1.64 2r5hE1 LEU 246 HB3 -0.06 -0.07 -0.28 -0.04 1.64 1.19 2r5hE1 LEU 246 HG 0.06 0.06 -0.48 -0.04 1.64 1.24 2r5hE1 LEU 246 HD13 -0.24 -0.02 -0.18 -0.04 0.93 0.44 2r5hE1 LEU 246 HD23 -0.05 -0.03 -0.14 -0.04 0.89 0.64 2r5hE1 PHE 247 H 0.17 0.26 0.29 -0.55 8.34 8.50 2r5hE1 PHE 247 HA 0.13 0.11 0.70 -0.75 4.62 4.80 2r5hE1 PHE 247 HB2 0.12 0.04 -0.01 -0.04 3.15 3.26 2r5hE1 PHE 247 HB3 0.11 0.18 -0.02 -0.04 3.06 3.29 2r5hE1 PHE 247 HD2 0.13 -0.22 -0.03 -0.04 7.28 7.13 2r5hE1 PHE 247 HE2 0.08 -0.13 -0.31 -0.04 7.38 6.98 2r5hE1 PHE 247 HZ 0.07 -0.03 -0.29 -0.04 7.32 7.03 2r5hE1 PHE 248 H 0.84 0.20 0.29 -0.55 8.34 9.12 2r5hE1 PHE 248 HA 0.11 0.23 1.05 -0.75 4.62 5.25 2r5hE1 PHE 248 HB2 0.05 0.12 -0.04 -0.04 3.15 3.24 2r5hE1 PHE 248 HB3 0.18 -0.04 0.09 -0.04 3.06 3.25 2r5hE1 PHE 248 HD2 -0.04 0.01 -0.05 -0.04 7.28 7.15 2r5hE1 PHE 248 HE2 -0.63 -0.00 -0.07 -0.04 7.38 6.64 2r5hE1 PHE 248 HZ -0.35 0.03 -0.06 -0.04 7.32 6.90 2r5hE1 TYR 249 H -0.94 0.31 0.16 -0.55 8.29 7.28 2r5hE1 TYR 249 HA -0.62 0.27 0.69 -0.75 4.56 4.14 2r5hE1 TYR 249 HB2 -0.19 0.07 0.13 -0.04 3.06 3.03 2r5hE1 TYR 249 HB3 -0.16 0.00 -0.28 -0.04 2.98 2.51 2r5hE1 TYR 249 HD2 -0.31 0.00 -0.32 -0.04 7.15 6.49 2r5hE1 TYR 249 HE2 -0.36 -0.00 -0.10 -0.04 6.85 6.35 2r5hE1 LEU 250 H -0.37 0.52 0.37 -0.55 8.37 8.35 2r5hE1 LEU 250 HA -0.41 0.07 0.65 -0.75 4.35 3.91 2r5hE1 LEU 250 HB2 -0.24 0.09 0.11 -0.04 1.64 1.55 2r5hE1 LEU 250 HB3 -0.31 0.06 0.18 -0.04 1.64 1.53 2r5hE1 LEU 250 HG -0.55 0.00 -0.15 -0.04 1.64 0.91 2r5hE1 LEU 250 HD13 -0.57 -0.02 0.15 -0.04 0.93 0.45 2r5hE1 LEU 250 HD23 -0.18 0.02 0.01 -0.04 0.89 0.70 2r5hE1 ARG 251 H -0.12 0.18 0.21 -0.55 8.46 8.18 2r5hE1 ARG 251 HA 0.05 0.19 0.84 -0.75 4.34 4.66 2r5hE1 ARG 251 HB2 0.15 -0.05 0.11 -0.04 1.90 2.07 2r5hE1 ARG 251 HB3 0.07 -0.00 0.05 -0.04 1.80 1.88 2r5hE1 ARG 251 HG2 -0.04 -0.01 0.07 -0.04 1.67 1.65 2r5hE1 ARG 251 HG3 0.03 0.04 -0.16 -0.04 1.67 1.54 2r5hE1 ARG 251 HD2 0.10 0.02 -0.02 -0.04 3.22 3.28 2r5hE1 ARG 251 HD3 0.24 -0.02 -0.02 -0.04 3.22 3.38 2r5hE1 ARG 252 H 0.08 0.13 0.07 -0.55 8.46 8.19 2r5hE1 ARG 252 HA 0.03 0.05 0.44 -0.75 4.34 4.10 2r5hE1 ARG 252 HB2 -0.03 0.12 -0.51 -0.04 1.90 1.44 2r5hE1 ARG 252 HB3 0.03 -0.10 0.25 -0.04 1.80 1.94 2r5hE1 ARG 252 HG2 0.01 -0.04 0.00 -0.04 1.67 1.60 2r5hE1 ARG 252 HG3 0.01 -0.03 0.02 -0.04 1.67 1.63 2r5hE1 ARG 252 HD2 -0.03 0.10 0.02 -0.04 3.22 3.26 2r5hE1 ARG 252 HD3 -0.02 -0.05 0.04 -0.04 3.22 3.15 2r5hE1 GLU 253 H 0.06 0.25 0.16 -0.55 8.60 8.52 2r5hE1 GLU 253 HA 0.07 0.34 1.28 -0.75 4.29 5.22 2r5hE1 GLU 253 HB2 0.07 0.07 0.02 -0.04 2.09 2.21 2r5hE1 GLU 253 HB3 0.12 -0.08 -0.08 -0.04 1.99 1.90 2r5hE1 GLU 253 HG2 0.13 -0.08 0.04 -0.04 2.34 2.39 2r5hE1 GLU 253 HG3 0.08 0.04 0.00 -0.04 2.34 2.42 2r5hE1 GLN 254 H 0.05 0.75 0.32 -0.55 8.47 9.04 2r5hE1 GLN 254 HA 0.05 0.14 0.43 -0.75 4.36 4.22 2r5hE1 GLN 254 HB2 0.05 -0.00 0.07 -0.04 2.15 2.23 2r5hE1 GLN 254 HB3 0.04 0.11 -0.16 -0.04 2.02 1.97 2r5hE1 GLN 254 HG2 0.05 0.00 -0.10 -0.04 2.40 2.30 2r5hE1 GLN 254 HG3 0.06 -0.07 0.18 -0.04 2.39 2.51 2r5hE1 GLN 254 HE21 0.05 0.05 -0.27 -0.04 6.97 6.76 2r5hE1 GLN 254 HE22 0.07 -0.13 -0.04 -0.04 7.69 7.55 2r5hE1 MET 255 H 0.08 0.42 0.28 -0.55 8.47 8.70 2r5hE1 MET 255 HA 0.08 0.20 0.78 -0.75 4.52 4.83 2r5hE1 MET 255 HB2 0.02 0.05 -0.24 -0.04 2.15 1.94 2r5hE1 MET 255 HB3 0.02 -0.02 -0.21 -0.04 2.03 1.78 2r5hE1 MET 255 HG2 -0.07 -0.13 0.12 -0.04 2.63 2.51 2r5hE1 MET 255 HG3 -0.05 -0.05 -0.04 -0.04 2.56 2.38 2r5hE1 MET 255 HE3 -0.08 -0.03 -0.02 -0.04 2.10 1.93 2r5hE1 PHE 256 H -0.05 0.25 0.27 -0.55 8.34 8.26 2r5hE1 PHE 256 HA -0.03 0.08 0.43 -0.75 4.62 4.35 2r5hE1 PHE 256 HB2 -0.04 -0.01 0.18 -0.04 3.15 3.25 2r5hE1 PHE 256 HB3 -0.03 0.02 -0.23 -0.04 3.06 2.79 2r5hE1 PHE 256 HD2 -0.05 -0.02 -0.06 -0.04 7.28 7.11 2r5hE1 PHE 256 HE2 -0.06 0.03 -0.10 -0.04 7.38 7.20 2r5hE1 PHE 256 HZ -0.06 -0.02 -0.09 -0.04 7.32 7.10 2r5hE1 VAL 257 H 0.19 0.12 0.11 -0.55 8.24 8.12 2r5hE1 VAL 257 HA -0.22 0.31 0.81 -0.75 4.13 4.28 2r5hE1 VAL 257 HB -0.06 0.03 -0.14 -0.04 2.12 1.91 2r5hE1 VAL 257 HG13 -0.06 -0.00 -0.04 -0.04 0.97 0.83 2r5hE1 VAL 257 HG23 0.10 -0.01 0.12 -0.04 0.95 1.11 2r5hE1 ARG 258 H -0.30 0.66 0.29 -0.55 8.46 8.56 2r5hE1 ARG 258 HA -0.30 0.07 0.35 -0.75 4.34 3.70 2r5hE1 ARG 258 HB2 -0.39 0.09 -0.06 -0.04 1.90 1.50 2r5hE1 ARG 258 HB3 -0.20 -0.08 0.13 -0.04 1.80 1.61 2r5hE1 ARG 258 HG2 -0.03 -0.03 0.02 -0.04 1.67 1.59 2r5hE1 ARG 258 HG3 -0.28 -0.03 -0.18 -0.04 1.67 1.14 2r5hE1 ARG 258 HD2 -0.13 -0.04 -0.01 -0.04 3.22 3.00 2r5hE1 ARG 258 HD3 -0.12 0.02 -0.00 -0.04 3.22 3.07 2r5hE1 HIS 259 H -0.23 0.07 0.30 -0.55 8.41 8.00 2r5hE1 HIS 259 HA -0.23 0.28 1.00 -0.75 4.63 4.93 2r5hE1 HIS 259 HB2 -0.52 -0.01 0.05 -0.04 3.26 2.75 2r5hE1 HIS 259 HB3 -0.84 -0.04 0.07 -0.04 3.20 2.35 2r5hE1 HIS 259 HD2 -0.05 -0.06 0.08 -0.04 6.97 6.90 2r5hE1 HIS 259 HE1 -0.00 -0.00 -0.03 -0.04 7.75 7.67 2r5hE1 LEU 260 H -0.19 0.18 0.20 -0.55 8.37 8.01 2r5hE1 LEU 260 HA -0.32 0.21 0.95 -0.75 4.35 4.45 2r5hE1 LEU 260 HB2 -0.07 -0.15 0.09 -0.04 1.64 1.46 2r5hE1 LEU 260 HB3 -0.10 0.08 -0.04 -0.04 1.64 1.54 2r5hE1 LEU 260 HG -0.13 0.12 -0.25 -0.04 1.64 1.34 2r5hE1 LEU 260 HD13 -0.09 -0.05 -0.12 -0.04 0.93 0.63 2r5hE1 LEU 260 HD23 -0.11 0.01 -0.10 -0.04 0.89 0.66 2r5hE1 PHE 261 H -0.36 0.80 0.38 -0.55 8.34 8.60 2r5hE1 PHE 261 HA -0.08 0.28 1.07 -0.75 4.62 5.14 2r5hE1 PHE 261 HB2 -1.58 0.18 -0.05 -0.04 3.15 1.66 2r5hE1 PHE 261 HB3 -0.12 0.01 -0.16 -0.04 3.06 2.75 2r5hE1 PHE 261 HD2 -0.04 0.11 -0.25 -0.04 7.28 7.06 2r5hE1 PHE 261 HE2 -0.08 0.00 -0.11 -0.04 7.38 7.15 2r5hE1 PHE 261 HZ -0.23 0.02 -0.08 -0.04 7.32 6.99 2r5hE1 ASN 262 H 0.19 0.27 0.27 -0.55 8.53 8.71 2r5hE1 ASN 262 HA 0.18 0.21 0.70 -0.75 4.76 5.09 2r5hE1 ASN 262 HB2 0.13 0.02 -0.11 -0.04 2.88 2.88 2r5hE1 ASN 262 HB3 0.08 -0.35 0.20 -0.04 2.79 2.67 2r5hE1 ASN 262 HD21 -0.01 0.03 -0.05 -0.04 7.03 6.96 2r5hE1 ASN 262 HD22 0.04 -0.12 -0.11 -0.04 7.74 7.51 2r5hE1 ARG 263 H 0.23 0.58 0.15 -0.55 8.46 8.86 2r5hE1 ARG 263 HA 0.03 0.18 0.90 -0.75 4.34 4.70 2r5hE1 ARG 263 HB2 -0.02 -0.08 0.14 -0.04 1.90 1.90 2r5hE1 ARG 263 HB3 -0.09 0.07 0.02 -0.04 1.80 1.76 2r5hE1 ARG 263 HG2 0.08 0.12 0.02 -0.04 1.67 1.84 2r5hE1 ARG 263 HG3 -0.11 -0.05 0.03 -0.04 1.67 1.50 2r5hE1 ARG 263 HD2 -0.33 -0.04 0.09 -0.04 3.22 2.90 2r5hE1 ARG 263 HD3 -0.55 0.08 0.04 -0.04 3.22 2.75 2r5hE1 ALA 264 H -0.02 0.19 -0.04 -0.55 8.40 7.98 2r5hE1 ALA 264 HA -0.02 0.01 0.44 -0.75 4.34 4.02 2r5hE1 ALA 264 HB3 -0.04 -0.01 -0.09 -0.04 1.41 1.22 2r5hE1 GLY 265 H -0.03 0.10 0.19 -0.55 8.43 8.14 2r5hE1 GLY 265 HA2 -0.03 -0.02 0.32 -0.51 4.01 3.77 2r5hE1 GLY 265 HA3 -0.04 0.25 0.87 -0.51 4.01 4.58 2r5hE1 THR 266 H -0.03 0.15 0.12 -0.55 8.28 7.97 2r5hE1 THR 266 HA -0.02 -0.01 0.22 -0.75 4.39 3.83 2r5hE1 THR 266 HB -0.02 0.08 -0.02 -0.04 4.32 4.33 2r5hE1 THR 266 HG23 -0.02 -0.02 0.07 -0.04 1.22 1.21 2r5hE1 VAL 267 H -0.02 0.07 0.15 -0.55 8.24 7.89 2r5hE1 VAL 267 HA -0.02 -0.01 0.26 -0.75 4.13 3.60 2r5hE1 VAL 267 HB -0.01 0.01 -0.07 -0.04 2.12 2.01 2r5hE1 VAL 267 HG13 -0.01 -0.04 -0.26 -0.04 0.97 0.62 2r5hE1 VAL 267 HG23 -0.01 -0.01 0.06 -0.04 0.95 0.95 2r5hE1 GLY 268 H -0.02 -0.06 0.22 -0.55 8.43 8.02 2r5hE1 GLY 268 HA2 -0.01 0.18 0.69 -0.51 4.01 4.36 2r5hE1 GLY 268 HA3 -0.02 0.00 0.36 -0.51 4.01 3.85 2r5hE1 GLU 269 H -0.01 -0.01 0.23 -0.55 8.60 8.26 2r5hE1 GLU 269 HA -0.00 0.27 1.03 -0.75 4.29 4.83 2r5hE1 GLU 269 HB2 -0.01 -0.04 0.04 -0.04 2.09 2.04 2r5hE1 GLU 269 HB3 0.00 0.07 -0.08 -0.04 1.99 1.95 2r5hE1 GLU 269 HG2 -0.00 0.01 -0.00 -0.04 2.34 2.31 2r5hE1 GLU 269 HG3 -0.01 0.07 -0.29 -0.04 2.34 2.07 2r5hE1 ASN 270 H 0.01 0.18 0.14 -0.55 8.53 8.32 2r5hE1 ASN 270 HA 0.01 0.12 0.65 -0.75 4.76 4.78 2r5hE1 ASN 270 HB2 0.02 -0.00 0.04 -0.04 2.88 2.89 2r5hE1 ASN 270 HB3 0.04 0.06 -0.22 -0.04 2.79 2.63 2r5hE1 ASN 270 HD21 0.02 0.01 -0.05 -0.04 7.03 6.97 2r5hE1 ASN 270 HD22 0.04 0.03 -0.04 -0.04 7.74 7.73 2r5hE1 VAL 271 H 0.03 0.11 0.13 -0.55 8.24 7.96 2r5hE1 VAL 271 HA 0.06 0.15 0.49 -0.75 4.13 4.08 2r5hE1 VAL 271 HB 0.03 -0.06 0.08 -0.04 2.12 2.14 2r5hE1 VAL 271 HG13 0.18 0.03 -0.22 -0.04 0.97 0.91 2r5hE1 VAL 271 HG23 -0.02 0.01 0.03 -0.04 0.95 0.92 2r5hE1 PRO 272 HA 0.05 -0.01 0.36 -0.51 4.44 4.34 2r5hE1 PRO 272 HB2 0.05 -0.06 0.11 -0.04 2.28 2.34 2r5hE1 PRO 272 HB3 0.03 0.04 0.06 -0.04 2.02 2.11 2r5hE1 PRO 272 HG2 0.04 0.05 0.10 -0.04 2.03 2.18 2r5hE1 PRO 272 HG3 0.04 0.10 0.12 -0.04 2.03 2.25 2r5hE1 PRO 272 HD2 0.08 0.06 0.21 -0.04 3.68 4.00 2r5hE1 PRO 272 HD3 0.06 0.24 0.33 -0.04 3.65 4.23 2r5hE1 ASP 273 H -0.01 0.15 0.17 -0.55 8.40 8.17 2r5hE1 ASP 273 HA -0.60 0.10 0.21 -0.75 4.63 3.58 2r5hE1 ASP 273 HB2 -0.20 0.03 0.23 -0.04 2.71 2.73 2r5hE1 ASP 273 HB3 -0.13 0.03 0.12 -0.04 2.70 2.67 2r5hE1 ASP 274 H -0.07 0.26 -0.34 -0.55 8.40 7.70 2r5hE1 ASP 274 HA -0.11 0.28 1.03 -0.75 4.63 5.07 2r5hE1 ASP 274 HB2 -0.03 0.02 0.08 -0.04 2.71 2.74 2r5hE1 ASP 274 HB3 -0.05 -0.00 -0.11 -0.04 2.70 2.50 2r5hE1 LEU 275 H -0.03 0.23 0.26 -0.55 8.37 8.29 2r5hE1 LEU 275 HA 0.06 0.16 0.79 -0.75 4.35 4.60 2r5hE1 LEU 275 HB2 0.30 0.03 -0.01 -0.04 1.64 1.91 2r5hE1 LEU 275 HB3 0.13 -0.03 0.15 -0.04 1.64 1.85 2r5hE1 LEU 275 HG 0.09 0.16 0.15 -0.04 1.64 2.00 2r5hE1 LEU 275 HD13 0.09 -0.03 0.05 -0.04 0.93 1.00 2r5hE1 LEU 275 HD23 0.05 -0.01 -0.06 -0.04 0.89 0.83 2r5hE1 TYR 276 H -0.20 0.15 -0.19 -0.55 8.29 7.49 2r5hE1 TYR 276 HA 0.02 0.11 0.33 -0.75 4.56 4.27 2r5hE1 TYR 276 HB2 0.03 -0.03 0.11 -0.04 3.06 3.13 2r5hE1 TYR 276 HB3 0.03 0.13 -0.28 -0.04 2.98 2.81 2r5hE1 TYR 276 HD2 0.03 0.13 -0.41 -0.04 7.15 6.85 2r5hE1 TYR 276 HE2 0.02 0.07 -0.41 -0.04 6.85 6.48 2r5hE1 ILE 277 H 0.28 0.23 0.15 -0.55 8.25 8.35 2r5hE1 ILE 277 HA -0.06 0.26 1.13 -0.75 4.18 4.76 2r5hE1 ILE 277 HB 0.08 0.12 -0.05 -0.04 1.89 2.00 2r5hE1 ILE 277 HG12 0.05 -0.05 -0.35 -0.04 1.49 1.09 2r5hE1 ILE 277 HG13 0.08 0.00 -0.01 -0.04 1.21 1.24 2r5hE1 ILE 277 HG23 0.01 -0.01 0.06 -0.04 0.93 0.95 2r5hE1 ILE 277 HD13 0.03 0.01 -0.05 -0.04 0.88 0.82 2r5hE1 LYS 278 H 0.02 0.10 0.14 -0.55 8.42 8.12 2r5hE1 LYS 278 HA 0.16 0.00 0.42 -0.75 4.32 4.15 2r5hE1 LYS 278 HB2 0.03 -0.04 0.08 -0.04 1.87 1.90 2r5hE1 LYS 278 HB3 0.04 0.12 0.05 -0.04 1.79 1.96 2r5hE1 LYS 278 HG2 0.01 -0.01 0.11 -0.04 1.46 1.52 2r5hE1 LYS 278 HG3 0.01 0.00 0.07 -0.04 1.46 1.50 2r5hE1 LYS 278 HD2 0.05 0.03 0.07 -0.04 1.69 1.80 2r5hE1 LYS 278 HD3 0.11 -0.02 0.04 -0.04 1.68 1.77 2r5hE1 LYS 278 HE2 0.02 -0.01 0.04 -0.04 2.99 3.00 2r5hE1 LYS 278 HE3 0.04 0.01 0.03 -0.04 2.99 3.02 2r5hE1 GLY 279 H 0.05 0.06 0.16 -0.55 8.43 8.15 2r5hE1 GLY 279 HA2 0.03 0.24 0.80 -0.51 4.01 4.58 2r5hE1 GLY 279 HA3 0.02 0.16 0.26 -0.51 4.01 3.94 2r5hE1 SER 280 H -0.02 0.07 -0.49 -0.55 8.46 7.47 2r5hE1 SER 280 HA -0.01 0.18 0.60 -0.75 4.49 4.51 2r5hE1 SER 280 HB2 0.00 0.09 -0.13 -0.04 3.95 3.87 2r5hE1 SER 280 HB3 0.01 0.01 -0.10 -0.04 3.93 3.80 2r5hE1 GLY 281 H -0.03 0.26 0.05 -0.55 8.43 8.16 2r5hE1 GLY 281 HA2 -0.04 0.12 0.28 -0.51 4.01 3.86 2r5hE1 GLY 281 HA3 -0.03 0.06 0.34 -0.51 4.01 3.87 2r5hE1 SER 282 H -0.05 0.17 0.26 -0.55 8.46 8.29 2r5hE1 SER 282 HA -0.14 0.09 0.32 -0.75 4.49 4.01 2r5hE1 SER 282 HB2 -0.06 0.02 0.08 -0.04 3.95 3.95 2r5hE1 SER 282 HB3 -0.03 0.02 0.16 -0.04 3.93 4.03 2r5hE1 THR 283 H -0.10 0.41 -0.27 -0.55 8.28 7.77 2r5hE1 THR 283 HA -0.65 0.14 -0.04 -0.75 4.39 3.08 2r5hE1 THR 283 HB 0.09 0.07 0.11 -0.04 4.32 4.55 2r5hE1 THR 283 HG23 0.09 0.03 0.04 -0.04 1.22 1.33 2r5hE1 ALA 284 H -0.15 0.90 -1.21 -0.55 8.40 7.40 2r5hE1 ALA 284 HA -0.02 -0.07 0.55 -0.75 4.34 4.05 2r5hE1 ALA 284 HB3 -0.03 0.04 -0.21 -0.04 1.41 1.16 2r5hE1 ASN 285 H -0.21 0.31 -0.37 -0.55 8.53 7.71 2r5hE1 ASN 285 HA -0.05 0.13 0.72 -0.75 4.76 4.81 2r5hE1 ASN 285 HB2 -0.07 -0.02 -0.28 -0.04 2.88 2.47 2r5hE1 ASN 285 HB3 -0.10 0.00 0.10 -0.04 2.79 2.75 2r5hE1 ASN 285 HD21 -0.02 -0.01 -0.03 -0.04 7.03 6.92 2r5hE1 ASN 285 HD22 -0.04 -0.04 -0.03 -0.04 7.74 7.59 2r5hE1 LEU 286 H -0.03 0.11 -0.08 -0.55 8.37 7.82 2r5hE1 LEU 286 HA 0.07 -0.03 0.18 -0.75 4.35 3.82 2r5hE1 LEU 286 HB2 -0.04 -0.04 0.07 -0.04 1.64 1.59 2r5hE1 LEU 286 HB3 -0.04 0.04 -0.14 -0.04 1.64 1.46 2r5hE1 LEU 286 HG -0.08 0.06 -0.03 -0.04 1.64 1.55 2r5hE1 LEU 286 HD13 -0.11 -0.00 -0.08 -0.04 0.93 0.70 2r5hE1 LEU 286 HD23 -0.41 -0.00 -0.07 -0.04 0.89 0.37 2r5hE1 ALA 287 H 0.24 0.08 0.10 -0.55 8.40 8.28 2r5hE1 ALA 287 HA 0.07 0.12 0.45 -0.75 4.34 4.23 2r5hE1 ALA 287 HB3 0.18 0.01 -0.01 -0.04 1.41 1.55 2r5hE1 SER 288 H 0.01 0.10 0.12 -0.55 8.46 8.14 2r5hE1 SER 288 HA -0.05 0.02 0.31 -0.75 4.49 4.02 2r5hE1 SER 288 HB2 -0.02 0.04 0.12 -0.04 3.95 4.05 2r5hE1 SER 288 HB3 -0.03 -0.07 -0.02 -0.04 3.93 3.77 2r5hE1 SER 289 H -0.11 0.12 0.15 -0.55 8.46 8.07 2r5hE1 SER 289 HA -0.44 0.13 0.51 -0.75 4.49 3.94 2r5hE1 SER 289 HB2 -0.09 0.07 0.08 -0.04 3.95 3.97 2r5hE1 SER 289 HB3 -0.10 -0.03 0.13 -0.04 3.93 3.89 2r5hE1 ASN 290 H -0.20 0.06 -0.57 -0.55 8.53 7.27 2r5hE1 ASN 290 HA -0.15 0.17 0.64 -0.75 4.76 4.67 2r5hE1 ASN 290 HB2 -0.06 0.03 0.14 -0.04 2.88 2.96 2r5hE1 ASN 290 HB3 -0.03 0.08 0.11 -0.04 2.79 2.91 2r5hE1 ASN 290 HD21 -0.04 -0.10 0.00 -0.04 7.03 6.86 2r5hE1 ASN 290 HD22 -0.04 0.07 -0.03 -0.04 7.74 7.70 2r5hE1 TYR 291 H -0.52 0.30 0.03 -0.55 8.29 7.55 2r5hE1 TYR 291 HA 0.12 0.11 0.40 -0.75 4.56 4.43 2r5hE1 TYR 291 HB2 0.04 -0.03 -0.01 -0.04 3.06 3.01 2r5hE1 TYR 291 HB3 0.01 -0.02 0.04 -0.04 2.98 2.97 2r5hE1 TYR 291 HD2 0.02 -0.02 -0.06 -0.04 7.15 7.05 2r5hE1 TYR 291 HE2 -0.00 -0.01 -0.03 -0.04 6.85 6.76 2r5hE1 PHE 292 H 0.11 0.69 0.41 -0.55 8.34 9.00 2r5hE1 PHE 292 HA 0.14 0.10 0.46 -0.75 4.62 4.56 2r5hE1 PHE 292 HB2 0.10 0.03 0.11 -0.04 3.15 3.35 2r5hE1 PHE 292 HB3 0.06 0.08 -0.17 -0.04 3.06 3.00 2r5hE1 PHE 292 HD2 0.18 0.05 -0.29 -0.04 7.28 7.18 2r5hE1 PHE 292 HE2 0.19 -0.02 -0.30 -0.04 7.38 7.21 2r5hE1 PHE 292 HZ 0.35 -0.06 -0.29 -0.04 7.32 7.28 2r5hE1 PRO 293 HA -0.33 0.14 0.89 -0.51 4.44 4.63 2r5hE1 PRO 293 HB2 -0.09 0.06 0.02 -0.04 2.28 2.24 2r5hE1 PRO 293 HB3 -0.07 -0.02 0.06 -0.04 2.02 1.95 2r5hE1 PRO 293 HG2 0.05 0.05 -0.03 -0.04 2.03 2.07 2r5hE1 PRO 293 HG3 0.05 0.02 0.01 -0.04 2.03 2.07 2r5hE1 PRO 293 HD2 0.43 0.12 0.22 -0.04 3.68 4.41 2r5hE1 PRO 293 HD3 0.24 0.13 0.17 -0.04 3.65 4.14 2r5hE1 THR 294 H -0.29 0.12 0.22 -0.55 8.28 7.77 2r5hE1 THR 294 HA 0.06 0.17 0.69 -0.75 4.39 4.56 2r5hE1 THR 294 HB -0.09 0.17 0.12 -0.04 4.32 4.48 2r5hE1 THR 294 HG23 0.14 0.02 -0.04 -0.04 1.22 1.29 2r5hE1 PRO 295 HA -0.25 0.28 0.57 -0.51 4.44 4.53 2r5hE1 PRO 295 HB2 -0.15 -0.10 0.12 -0.04 2.28 2.10 2r5hE1 PRO 295 HB3 -0.31 0.07 0.04 -0.04 2.02 1.77 2r5hE1 PRO 295 HG2 -0.14 0.13 -0.48 -0.04 2.03 1.50 2r5hE1 PRO 295 HG3 -0.05 0.14 0.06 -0.04 2.03 2.13 2r5hE1 PRO 295 HD2 -0.17 0.01 0.10 -0.04 3.68 3.58 2r5hE1 PRO 295 HD3 -0.68 0.17 0.07 -0.04 3.65 3.17 2r5hE1 SER 296 H -0.24 -0.03 0.03 -0.55 8.46 7.67 2r5hE1 SER 296 HA -0.21 0.17 0.62 -0.75 4.49 4.32 2r5hE1 SER 296 HB2 -0.66 0.08 -0.11 -0.04 3.95 3.22 2r5hE1 SER 296 HB3 -1.62 -0.08 -0.05 -0.04 3.93 2.13 2r5hE1 GLY 297 H -0.03 0.94 0.11 -0.55 8.43 8.90 2r5hE1 GLY 297 HA2 0.05 -0.08 0.84 -0.51 4.01 4.31 2r5hE1 GLY 297 HA3 0.04 0.15 0.45 -0.51 4.01 4.14 2r5hE1 SER 298 H 0.16 0.13 0.01 -0.55 8.46 8.21 2r5hE1 SER 298 HA 0.13 0.05 0.34 -0.75 4.49 4.25 2r5hE1 SER 298 HB2 0.29 0.04 0.03 -0.04 3.95 4.27 2r5hE1 SER 298 HB3 0.09 0.02 0.00 -0.04 3.93 4.00 2r5hE1 MET 299 H 0.05 0.05 0.09 -0.55 8.47 8.11 2r5hE1 MET 299 HA 0.03 -0.03 0.36 -0.75 4.52 4.12 2r5hE1 MET 299 HB2 0.02 -0.03 0.14 -0.04 2.15 2.24 2r5hE1 MET 299 HB3 0.01 -0.01 0.08 -0.04 2.03 2.07 2r5hE1 MET 299 HG2 0.01 0.14 -0.13 -0.04 2.63 2.61 2r5hE1 MET 299 HG3 0.01 -0.02 0.03 -0.04 2.56 2.54 2r5hE1 MET 299 HE3 -0.00 -0.01 -0.00 -0.04 2.10 2.05 2r5hE1 VAL 300 H 0.02 0.06 0.09 -0.55 8.24 7.87 2r5hE1 VAL 300 HA 0.03 0.12 0.53 -0.75 4.13 4.06 2r5hE1 VAL 300 HB 0.03 -0.01 -0.08 -0.04 2.12 2.02 2r5hE1 VAL 300 HG13 0.03 0.02 0.02 -0.04 0.97 1.01 2r5hE1 VAL 300 HG23 0.02 -0.01 0.03 -0.04 0.95 0.94 2r5hE1 THR 301 H 0.02 0.26 0.13 -0.55 8.28 8.15 2r5hE1 THR 301 HA 0.01 0.17 0.91 -0.75 4.39 4.72 2r5hE1 THR 301 HB 0.01 0.10 -0.20 -0.04 4.32 4.18 2r5hE1 THR 301 HG23 0.01 0.02 -0.07 -0.04 1.22 1.13 2r5hE1 SER 302 H 0.01 0.20 0.14 -0.55 8.46 8.27 2r5hE1 SER 302 HA 0.02 0.10 0.58 -0.75 4.49 4.43 2r5hE1 SER 302 HB2 0.01 0.05 0.17 -0.04 3.95 4.13 2r5hE1 SER 302 HB3 0.00 -0.05 0.15 -0.04 3.93 3.99 2r5hE1 ASP 303 H 0.00 0.08 -0.03 -0.55 8.40 7.90 2r5hE1 ASP 303 HA -0.00 0.08 0.28 -0.75 4.63 4.23 2r5hE1 ASP 303 HB2 -0.00 -0.03 0.02 -0.04 2.71 2.66 2r5hE1 ASP 303 HB3 -0.00 0.06 0.16 -0.04 2.70 2.88 2r5hE1 ALA 304 H 0.01 0.38 -0.95 -0.55 8.40 7.29 2r5hE1 ALA 304 HA -0.01 0.19 0.86 -0.75 4.34 4.63 2r5hE1 ALA 304 HB3 0.00 -0.00 -0.09 -0.04 1.41 1.28 2r5hE1 GLN 305 H 0.00 0.45 0.24 -0.55 8.47 8.61 2r5hE1 GLN 305 HA 0.02 -0.01 0.29 -0.75 4.36 3.91 2r5hE1 GLN 305 HB2 0.01 0.10 0.13 -0.04 2.15 2.35 2r5hE1 GLN 305 HB3 0.08 -0.17 0.16 -0.04 2.02 2.05 2r5hE1 GLN 305 HG2 0.03 0.17 0.30 -0.04 2.40 2.86 2r5hE1 GLN 305 HG3 0.04 0.01 0.11 -0.04 2.39 2.51 2r5hE1 GLN 305 HE21 0.07 -0.10 -0.04 -0.04 6.97 6.86 2r5hE1 GLN 305 HE22 0.04 0.16 0.04 -0.04 7.69 7.89 2r5hE1 ILE 306 H -0.14 -0.00 0.26 -0.55 8.25 7.82 2r5hE1 ILE 306 HA -0.20 0.24 0.77 -0.75 4.18 4.23 2r5hE1 ILE 306 HB -1.63 -0.06 -0.12 -0.04 1.89 0.04 2r5hE1 ILE 306 HG12 -0.16 -0.02 -0.02 -0.04 1.49 1.25 2r5hE1 ILE 306 HG13 -0.22 0.02 -0.17 -0.04 1.21 0.79 2r5hE1 ILE 306 HG23 -0.45 -0.01 -0.00 -0.04 0.93 0.42 2r5hE1 ILE 306 HD13 -0.13 0.04 -0.32 -0.04 0.88 0.42 2r5hE1 PHE 307 H -0.02 -0.06 0.10 -0.55 8.34 7.80 2r5hE1 PHE 307 HA 0.13 0.23 0.99 -0.75 4.62 5.22 2r5hE1 PHE 307 HB2 0.01 -0.05 0.05 -0.04 3.15 3.11 2r5hE1 PHE 307 HB3 0.04 0.40 0.20 -0.04 3.06 3.66 2r5hE1 PHE 307 HD2 0.11 -0.03 0.02 -0.04 7.28 7.34 2r5hE1 PHE 307 HE2 0.07 -0.01 -0.05 -0.04 7.38 7.35 2r5hE1 PHE 307 HZ 0.06 0.18 -0.18 -0.04 7.32 7.34 2r5hE1 ASN 308 H 0.06 0.59 0.15 -0.55 8.53 8.79 2r5hE1 ASN 308 HA -0.07 -0.04 0.23 -0.75 4.76 4.13 2r5hE1 ASN 308 HB2 0.03 0.13 -0.23 -0.04 2.88 2.76 2r5hE1 ASN 308 HB3 -0.03 0.00 0.19 -0.04 2.79 2.91 2r5hE1 ASN 308 HD21 -0.03 0.03 -0.01 -0.04 7.03 6.98 2r5hE1 ASN 308 HD22 -0.03 -0.01 0.03 -0.04 7.74 7.69 2r5hE1 LYS 309 H -0.14 -0.01 -0.77 -0.55 8.42 6.95 2r5hE1 LYS 309 HA -0.22 0.17 0.67 -0.75 4.32 4.18 2r5hE1 LYS 309 HB2 -0.09 0.06 -0.36 -0.04 1.87 1.43 2r5hE1 LYS 309 HB3 -0.12 0.02 -0.26 -0.04 1.79 1.39 2r5hE1 LYS 309 HG2 -0.14 0.08 -0.11 -0.04 1.46 1.24 2r5hE1 LYS 309 HG3 -0.11 -0.03 -0.04 -0.04 1.46 1.24 2r5hE1 LYS 309 HD2 -0.04 -0.04 -0.06 -0.04 1.69 1.50 2r5hE1 LYS 309 HD3 -0.04 0.10 -0.13 -0.04 1.68 1.57 2r5hE1 LYS 309 HE2 0.11 -0.01 -0.09 -0.04 2.99 2.96 2r5hE1 LYS 309 HE3 0.00 -0.00 -0.05 -0.04 2.99 2.90 2r5hE1 PRO 310 HA -0.94 0.10 0.74 -0.51 4.44 3.83 2r5hE1 PRO 310 HB2 -1.37 0.03 -0.03 -0.04 2.28 0.86 2r5hE1 PRO 310 HB3 -0.61 -0.02 -0.04 -0.04 2.02 1.30 2r5hE1 PRO 310 HG2 -0.59 0.04 0.14 -0.04 2.03 1.58 2r5hE1 PRO 310 HG3 -0.35 0.05 0.03 -0.04 2.03 1.72 2r5hE1 PRO 310 HD2 -0.29 0.11 0.15 -0.04 3.68 3.61 2r5hE1 PRO 310 HD3 -0.28 0.17 0.13 -0.04 3.65 3.62 2r5hE1 TYR 311 H -1.02 0.96 0.52 -0.55 8.29 8.20 2r5hE1 TYR 311 HA -0.50 0.26 1.23 -0.75 4.56 4.79 2r5hE1 TYR 311 HB2 -0.67 -0.07 0.02 -0.04 3.06 2.31 2r5hE1 TYR 311 HB3 -1.11 0.00 -0.00 -0.04 2.98 1.83 2r5hE1 TYR 311 HD2 -0.05 -0.02 -0.12 -0.04 7.15 6.92 2r5hE1 TYR 311 HE2 -0.04 0.00 -0.02 -0.04 6.85 6.76 2r5hE1 TRP 312 H -0.05 0.19 0.15 -0.55 7.97 7.71 2r5hE1 TRP 312 HA -0.23 0.30 0.65 -0.75 4.62 4.58 2r5hE1 TRP 312 HB2 -0.12 0.00 0.23 -0.04 3.23 3.30 2r5hE1 TRP 312 HB3 -0.10 -0.04 0.06 -0.04 3.23 3.11 2r5hE1 TRP 312 HD1 -0.06 0.01 -0.00 -0.04 7.22 7.13 2r5hE1 TRP 312 HE1 -0.04 0.03 -0.09 -0.04 10.20 10.06 2r5hE1 TRP 312 HE3 -0.23 0.24 -0.12 -0.04 7.59 7.44 2r5hE1 TRP 312 HZ2 0.01 0.03 -0.31 -0.04 7.44 7.13 2r5hE1 TRP 312 HZ3 -0.29 -0.08 -0.12 -0.04 7.13 6.59 2r5hE1 TRP 312 HH2 0.09 -0.00 -0.04 -0.04 7.19 7.20 2r5hE1 LEU 313 H 0.03 1.19 0.52 -0.55 8.37 9.56 2r5hE1 LEU 313 HA -0.16 0.15 0.44 -0.75 4.35 4.03 2r5hE1 LEU 313 HB2 -0.18 0.22 0.33 -0.04 1.64 1.96 2r5hE1 LEU 313 HB3 -0.27 0.01 0.16 -0.04 1.64 1.51 2r5hE1 LEU 313 HG -0.16 0.26 -0.12 -0.04 1.64 1.58 2r5hE1 LEU 313 HD13 -0.16 -0.06 -0.37 -0.04 0.93 0.30 2r5hE1 LEU 313 HD23 -0.32 -0.04 -0.23 -0.04 0.89 0.26 2r5hE1 GLN 314 H -0.01 0.07 -0.44 -0.55 8.47 7.54 2r5hE1 GLN 314 HA -0.05 0.04 0.34 -0.75 4.36 3.93 2r5hE1 GLN 314 HB2 -0.04 0.02 0.03 -0.04 2.15 2.12 2r5hE1 GLN 314 HB3 -0.07 -0.04 0.06 -0.04 2.02 1.93 2r5hE1 GLN 314 HG2 -0.00 0.05 0.02 -0.04 2.40 2.42 2r5hE1 GLN 314 HG3 -0.02 -0.03 0.00 -0.04 2.39 2.31 2r5hE1 GLN 314 HE21 -0.03 -0.01 -0.02 -0.04 6.97 6.87 2r5hE1 GLN 314 HE22 -0.01 -0.02 -0.02 -0.04 7.69 7.59 2r5hE1 ARG 315 H -0.02 0.08 -0.06 -0.55 8.46 7.90 2r5hE1 ARG 315 HA -0.02 0.26 0.97 -0.75 4.34 4.80 2r5hE1 ARG 315 HB2 -0.01 -0.07 0.01 -0.04 1.90 1.80 2r5hE1 ARG 315 HB3 0.00 -0.03 0.01 -0.04 1.80 1.74 2r5hE1 ARG 315 HG2 -0.01 -0.05 0.04 -0.04 1.67 1.62 2r5hE1 ARG 315 HG3 -0.01 0.12 0.12 -0.04 1.67 1.86 2r5hE1 ARG 315 HD2 -0.01 -0.04 -0.04 -0.04 3.22 3.10 2r5hE1 ARG 315 HD3 -0.01 -0.03 -0.02 -0.04 3.22 3.13 2r5hE1 ALA 316 H 0.00 0.17 0.08 -0.55 8.40 8.11 2r5hE1 ALA 316 HA 0.06 0.02 0.38 -0.75 4.34 4.04 2r5hE1 ALA 316 HB3 0.06 0.12 0.10 -0.04 1.41 1.65 2r5hE1 GLN 317 H 0.08 0.19 0.18 -0.55 8.47 8.37 2r5hE1 GLN 317 HA 0.01 0.00 0.15 -0.75 4.36 3.77 2r5hE1 GLN 317 HB2 0.04 0.00 0.15 -0.04 2.15 2.31 2r5hE1 GLN 317 HB3 0.04 -0.04 0.14 -0.04 2.02 2.11 2r5hE1 GLN 317 HG2 0.07 -0.03 0.07 -0.04 2.40 2.47 2r5hE1 GLN 317 HG3 0.10 -0.01 0.19 -0.04 2.39 2.63 2r5hE1 GLN 317 HE21 0.14 0.03 -0.05 -0.04 6.97 7.05 2r5hE1 GLN 317 HE22 0.19 0.05 -0.04 -0.04 7.69 7.85 2r5hE1 GLY 318 H 0.10 0.03 -1.37 -0.55 8.43 6.64 2r5hE1 GLY 318 HA2 0.10 0.14 0.76 -0.51 4.01 4.50 2r5hE1 GLY 318 HA3 0.17 0.06 0.30 -0.51 4.01 4.04 2r5hE1 HIS 319 H 0.30 0.15 0.09 -0.55 8.41 8.41 2r5hE1 HIS 319 HA 0.14 0.04 0.47 -0.75 4.63 4.53 2r5hE1 HIS 319 HB2 0.21 0.14 0.00 -0.04 3.26 3.57 2r5hE1 HIS 319 HB3 0.27 -0.08 -0.17 -0.04 3.20 3.18 2r5hE1 HIS 319 HD2 0.09 0.16 0.07 -0.04 6.97 7.24 2r5hE1 HIS 319 HE1 0.07 0.01 -0.05 -0.04 7.75 7.73 2r5hE1 ASN 320 H 0.36 0.39 0.07 -0.55 8.53 8.81 2r5hE1 ASN 320 HA 0.25 -0.08 0.71 -0.75 4.76 4.89 2r5hE1 ASN 320 HB2 0.40 0.07 0.05 -0.04 2.88 3.36 2r5hE1 ASN 320 HB3 0.39 0.20 -0.07 -0.04 2.79 3.26 2r5hE1 ASN 320 HD21 -0.87 0.12 0.21 -0.04 7.03 6.45 2r5hE1 ASN 320 HD22 0.59 0.04 0.08 -0.04 7.74 8.41 2r5hE1 ASN 321 H 0.01 -0.18 0.23 -0.55 8.53 8.04 2r5hE1 ASN 321 HA -0.01 0.31 0.78 -0.75 4.76 5.08 2r5hE1 ASN 321 HB2 -0.00 0.04 -0.11 -0.04 2.88 2.76 2r5hE1 ASN 321 HB3 -0.06 -0.08 -0.05 -0.04 2.79 2.56 2r5hE1 ASN 321 HD21 -0.05 0.39 0.03 -0.04 7.03 7.37 2r5hE1 ASN 321 HD22 -0.05 -0.13 -0.03 -0.04 7.74 7.49 2r5hE1 GLY 322 H -0.06 -0.38 0.17 -0.55 8.43 7.62 2r5hE1 GLY 322 HA2 -0.29 0.07 0.21 -0.51 4.01 3.49 2r5hE1 GLY 322 HA3 -0.20 0.35 0.79 -0.51 4.01 4.44 2r5hE1 ILE 323 H -0.16 -0.05 0.18 -0.55 8.25 7.67 2r5hE1 ILE 323 HA -0.29 0.43 0.96 -0.75 4.18 4.52 2r5hE1 ILE 323 HB -1.86 -0.03 0.21 -0.04 1.89 0.17 2r5hE1 ILE 323 HG12 -0.27 -0.42 0.24 -0.04 1.49 1.01 2r5hE1 ILE 323 HG13 -0.42 0.08 0.07 -0.04 1.21 0.90 2r5hE1 ILE 323 HG23 -0.95 0.02 -0.10 -0.04 0.93 -0.13 2r5hE1 ILE 323 HD13 -0.22 0.06 -0.41 -0.04 0.88 0.26 2r5hE1 CYS 324 H -0.02 0.91 0.19 -0.55 8.50 9.04 2r5hE1 CYS 324 HA 0.04 0.17 0.43 -0.75 4.58 4.46 2r5hE1 CYS 324 HB2 0.10 -0.15 0.10 -0.04 2.97 2.98 2r5hE1 CYS 324 HB3 0.04 0.23 -0.02 -0.04 2.97 3.18 2r5hE1 TRP 325 H 0.02 0.66 0.14 -0.55 7.97 8.25 2r5hE1 TRP 325 HA -0.04 -0.02 0.34 -0.75 4.62 4.14 2r5hE1 TRP 325 HB2 -0.05 0.03 0.19 -0.04 3.23 3.36 2r5hE1 TRP 325 HB3 -0.11 0.01 0.04 -0.04 3.23 3.12 2r5hE1 TRP 325 HD1 0.02 -0.01 0.07 -0.04 7.22 7.26 2r5hE1 TRP 325 HE1 0.15 -0.01 0.05 -0.04 10.20 10.35 2r5hE1 TRP 325 HE3 -0.02 -0.02 -0.02 -0.04 7.59 7.48 2r5hE1 TRP 325 HZ2 0.49 -0.01 0.01 -0.04 7.44 7.90 2r5hE1 TRP 325 HZ3 0.38 0.04 -0.07 -0.04 7.13 7.45 2r5hE1 TRP 325 HH2 0.57 0.03 -0.04 -0.04 7.19 7.71 2r5hE1 GLY 326 H 0.12 0.14 0.27 -0.55 8.43 8.41 2r5hE1 GLY 326 HA2 -0.05 0.02 0.26 -0.51 4.01 3.74 2r5hE1 GLY 326 HA3 -0.02 0.17 0.52 -0.51 4.01 4.17 2r5hE1 ASN 327 H 0.09 0.30 0.11 -0.55 8.53 8.49 2r5hE1 ASN 327 HA 0.02 0.06 0.29 -0.75 4.76 4.38 2r5hE1 ASN 327 HB2 -0.02 0.21 0.27 -0.04 2.88 3.29 2r5hE1 ASN 327 HB3 -0.08 -0.12 0.00 -0.04 2.79 2.55 2r5hE1 ASN 327 HD21 0.10 -0.05 -0.13 -0.04 7.03 6.91 2r5hE1 ASN 327 HD22 0.03 0.18 -0.22 -0.04 7.74 7.68 2r5hE1 GLN 328 H -0.04 0.22 -0.39 -0.55 8.47 7.72 2r5hE1 GLN 328 HA -0.23 0.27 0.71 -0.75 4.36 4.36 2r5hE1 GLN 328 HB2 -0.17 0.19 -0.00 -0.04 2.15 2.13 2r5hE1 GLN 328 HB3 -0.51 -0.01 -0.08 -0.04 2.02 1.38 2r5hE1 GLN 328 HG2 -0.14 0.00 -0.12 -0.04 2.40 2.11 2r5hE1 GLN 328 HG3 -0.07 0.09 -0.30 -0.04 2.39 2.07 2r5hE1 GLN 328 HE21 -0.12 -0.09 -0.02 -0.04 6.97 6.70 2r5hE1 GLN 328 HE22 -0.22 0.18 0.00 -0.04 7.69 7.61 2r5hE1 LEU 329 H -0.40 0.26 0.20 -0.55 8.37 7.88 2r5hE1 LEU 329 HA -0.09 0.24 0.80 -0.75 4.35 4.54 2r5hE1 LEU 329 HB2 -0.14 -0.01 -0.32 -0.04 1.64 1.14 2r5hE1 LEU 329 HB3 -0.12 -0.10 -0.04 -0.04 1.64 1.33 2r5hE1 LEU 329 HG 0.17 -0.01 -0.12 -0.04 1.64 1.64 2r5hE1 LEU 329 HD13 0.14 -0.03 -0.19 -0.04 0.93 0.81 2r5hE1 LEU 329 HD23 0.20 0.07 -0.03 -0.04 0.89 1.08 2r5hE1 PHE 330 H -0.04 1.14 0.27 -0.55 8.34 9.16 2r5hE1 PHE 330 HA -0.07 0.39 1.20 -0.75 4.62 5.39 2r5hE1 PHE 330 HB2 -0.13 0.16 -0.19 -0.04 3.15 2.95 2r5hE1 PHE 330 HB3 -0.14 -0.07 -0.15 -0.04 3.06 2.66 2r5hE1 PHE 330 HD2 -0.21 0.21 -0.80 -0.04 7.28 6.43 2r5hE1 PHE 330 HE2 -0.31 -0.05 -0.14 -0.04 7.38 6.84 2r5hE1 PHE 330 HZ -0.35 -0.02 -0.14 -0.04 7.32 6.77 2r5hE1 VAL 331 H 0.28 0.49 0.33 -0.55 8.24 8.79 2r5hE1 VAL 331 HA 0.20 0.49 1.31 -0.75 4.13 5.38 2r5hE1 VAL 331 HB 0.23 -0.09 0.11 -0.04 2.12 2.33 2r5hE1 VAL 331 HG13 0.16 -0.02 -0.11 -0.04 0.97 0.96 2r5hE1 VAL 331 HG23 0.29 0.01 -0.17 -0.04 0.95 1.04 2r5hE1 THR 332 H 0.17 0.98 0.45 -0.55 8.28 9.33 2r5hE1 THR 332 HA 0.16 0.31 1.25 -0.75 4.39 5.36 2r5hE1 THR 332 HB 0.13 -0.08 -0.04 -0.04 4.32 4.28 2r5hE1 THR 332 HG23 0.09 -0.01 -0.16 -0.04 1.22 1.09 2r5hE1 VAL 333 H 0.17 0.43 0.18 -0.55 8.24 8.46 2r5hE1 VAL 333 HA 0.22 0.48 1.62 -0.75 4.13 5.69 2r5hE1 VAL 333 HB 0.22 -0.03 0.07 -0.04 2.12 2.34 2r5hE1 VAL 333 HG13 -0.13 0.01 -0.07 -0.04 0.97 0.74 2r5hE1 VAL 333 HG23 0.28 0.01 -0.26 -0.04 0.95 0.93 2r5hE1 VAL 334 H 0.16 0.82 0.37 -0.55 8.24 9.04 2r5hE1 VAL 334 HA -0.02 0.20 0.86 -0.75 4.13 4.41 2r5hE1 VAL 334 HB 0.03 -0.11 0.08 -0.04 2.12 2.08 2r5hE1 VAL 334 HG13 -0.08 0.09 -0.21 -0.04 0.97 0.72 2r5hE1 VAL 334 HG23 -0.43 0.01 -0.27 -0.04 0.95 0.22 2r5hE1 ASP 335 H 0.01 0.27 -0.01 -0.55 8.40 8.12 2r5hE1 ASP 335 HA 0.08 0.08 1.08 -0.75 4.63 5.11 2r5hE1 ASP 335 HB2 -0.29 -0.01 -0.25 -0.04 2.71 2.12 2r5hE1 ASP 335 HB3 -0.09 0.07 0.13 -0.04 2.70 2.76 2r5hE1 THR 336 H 0.07 0.30 0.21 -0.55 8.28 8.31 2r5hE1 THR 336 HA 0.05 0.35 0.77 -0.75 4.39 4.79 2r5hE1 THR 336 HB 0.05 0.08 0.14 -0.04 4.32 4.55 2r5hE1 THR 336 HG23 0.04 0.13 0.20 -0.04 1.22 1.54 2r5hE1 THR 337 H 0.07 0.05 0.05 -0.55 8.28 7.91 2r5hE1 THR 337 HA 0.04 0.06 0.45 -0.75 4.39 4.19 2r5hE1 THR 337 HB 0.05 0.03 -0.11 -0.04 4.32 4.25 2r5hE1 THR 337 HG23 0.06 -0.00 0.05 -0.04 1.22 1.29 2r5hE1 ARG 338 H 0.03 0.14 -0.67 -0.55 8.46 7.40 2r5hE1 ARG 338 HA 0.03 0.13 1.04 -0.75 4.34 4.78 2r5hE1 ARG 338 HB2 -0.01 -0.01 0.11 -0.04 1.90 1.94 2r5hE1 ARG 338 HB3 0.01 0.11 -0.07 -0.04 1.80 1.81 2r5hE1 ARG 338 HG2 0.00 0.04 -0.37 -0.04 1.67 1.30 2r5hE1 ARG 338 HG3 0.00 -0.21 -0.32 -0.04 1.67 1.11 2r5hE1 ARG 338 HD2 -0.11 -0.07 -0.08 -0.04 3.22 2.92 2r5hE1 ARG 338 HD3 -0.05 0.01 -0.07 -0.04 3.22 3.06 2r5hE1 SER 339 H 0.02 0.58 -0.02 -0.55 8.46 8.50 2r5hE1 SER 339 HA 0.09 0.15 0.69 -0.75 4.49 4.67 2r5hE1 SER 339 HB2 -0.05 -0.13 0.16 -0.04 3.95 3.89 2r5hE1 SER 339 HB3 0.03 0.22 0.23 -0.04 3.93 4.37 2r5hE1 THR 340 H -0.03 0.15 -0.36 -0.55 8.28 7.50 2r5hE1 THR 340 HA -0.10 0.29 0.14 -0.75 4.39 3.97 2r5hE1 THR 340 HB -0.00 0.02 -0.09 -0.04 4.32 4.21 2r5hE1 THR 340 HG23 -0.02 0.01 -0.20 -0.04 1.22 0.97 2r5hE1 ASN 341 H -0.16 0.07 0.33 -0.55 8.53 8.22 2r5hE1 ASN 341 HA -0.13 0.17 1.14 -0.75 4.76 5.19 2r5hE1 ASN 341 HB2 -0.13 0.03 0.05 -0.04 2.88 2.79 2r5hE1 ASN 341 HB3 -0.27 -0.00 0.11 -0.04 2.79 2.58 2r5hE1 ASN 341 HD21 -0.33 -0.11 0.12 -0.04 7.03 6.67 2r5hE1 ASN 341 HD22 -0.50 -0.02 0.08 -0.04 7.74 7.26 2r5hE1 MET 342 H 0.01 0.25 0.26 -0.55 8.47 8.44 2r5hE1 MET 342 HA 0.00 0.06 0.70 -0.75 4.52 4.52 2r5hE1 MET 342 HB2 0.02 -0.02 0.09 -0.04 2.15 2.20 2r5hE1 MET 342 HB3 0.02 0.01 0.05 -0.04 2.03 2.08 2r5hE1 MET 342 HG2 0.03 0.18 0.03 -0.04 2.63 2.83 2r5hE1 MET 342 HG3 0.03 -0.06 -0.24 -0.04 2.56 2.25 2r5hE1 MET 342 HE3 0.05 0.00 -0.00 -0.04 2.10 2.11 2r5hE1 SER 343 H 0.02 0.22 0.22 -0.55 8.46 8.37 2r5hE1 SER 343 HA 0.05 0.16 1.20 -0.75 4.49 5.15 2r5hE1 SER 343 HB2 0.06 0.07 0.02 -0.04 3.95 4.05 2r5hE1 SER 343 HB3 0.04 0.00 0.04 -0.04 3.93 3.98 2r5hE1 LEU 344 H 0.11 0.38 0.19 -0.55 8.37 8.50 2r5hE1 LEU 344 HA 0.08 0.18 0.91 -0.75 4.35 4.77 2r5hE1 LEU 344 HB2 0.07 0.02 0.01 -0.04 1.64 1.69 2r5hE1 LEU 344 HB3 0.05 0.02 -0.03 -0.04 1.64 1.64 2r5hE1 LEU 344 HG 0.10 -0.02 -0.03 -0.04 1.64 1.65 2r5hE1 LEU 344 HD13 -0.02 0.01 -0.10 -0.04 0.93 0.78 2r5hE1 LEU 344 HD23 0.05 0.00 -0.17 -0.04 0.89 0.73 2r5hE1 CYS 345 H 0.12 0.20 0.17 -0.55 8.50 8.44 2r5hE1 CYS 345 HA 0.25 0.43 1.14 -0.75 4.58 5.65 2r5hE1 CYS 345 HB2 0.16 0.08 -0.18 -0.04 2.97 2.99 2r5hE1 CYS 345 HB3 0.11 -0.05 -0.20 -0.04 2.97 2.79 2r5hE1 ALA 346 H 0.24 0.44 0.29 -0.55 8.40 8.83 2r5hE1 ALA 346 HA 0.11 0.15 1.04 -0.75 4.34 4.88 2r5hE1 ALA 346 HB3 0.10 0.01 -0.05 -0.04 1.41 1.43 2r5hE1 ALA 347 H 0.00 0.11 0.17 -0.55 8.40 8.13 2r5hE1 ALA 347 HA -0.39 0.22 0.56 -0.75 4.34 3.98 2r5hE1 ALA 347 HB3 -0.38 -0.03 0.04 -0.04 1.41 1.00 2r5hE1 ILE 348 H -0.32 0.54 0.37 -0.55 8.25 8.30 2r5hE1 ILE 348 HA -0.07 0.14 0.64 -0.75 4.18 4.14 2r5hE1 ILE 348 HB -0.09 0.02 0.04 -0.04 1.89 1.82 2r5hE1 ILE 348 HG12 -0.04 0.01 0.04 -0.04 1.49 1.46 2r5hE1 ILE 348 HG13 -0.05 -0.04 0.08 -0.04 1.21 1.17 2r5hE1 ILE 348 HG23 -0.13 0.02 0.09 -0.04 0.93 0.87 2r5hE1 ILE 348 HD13 -0.02 0.01 0.04 -0.04 0.88 0.87 2r5hE1 SER 349 H -0.21 0.22 0.23 -0.55 8.46 8.15 2r5hE1 SER 349 HA -0.08 0.20 0.20 -0.75 4.49 4.06 2r5hE1 SER 349 HB2 -0.05 -0.15 0.05 -0.04 3.95 3.76 2r5hE1 SER 349 HB3 -0.05 0.24 0.14 -0.04 3.93 4.21 2r5hE1 THR 350 H -0.05 0.22 0.09 -0.55 8.28 7.98 2r5hE1 THR 350 HA -0.07 0.12 0.18 -0.75 4.39 3.87 2r5hE1 THR 350 HB -0.01 0.06 0.14 -0.04 4.32 4.47 2r5hE1 THR 350 HG23 -0.03 0.00 -0.01 -0.04 1.22 1.14 2r5hE1 SER 351 H -0.05 -0.07 -0.75 -0.55 8.46 7.04 2r5hE1 SER 351 HA -0.02 0.06 0.23 -0.75 4.49 4.01 2r5hE1 SER 351 HB2 -0.03 -0.04 0.08 -0.04 3.95 3.92 2r5hE1 SER 351 HB3 -0.02 0.01 0.01 -0.04 3.93 3.89 2r5hE1 GLU 352 H -0.04 0.08 -0.06 -0.55 8.60 8.03 2r5hE1 GLU 352 HA -0.00 -0.05 0.14 -0.75 4.29 3.63 2r5hE1 GLU 352 HB2 -0.04 0.04 0.10 -0.04 2.09 2.15 2r5hE1 GLU 352 HB3 0.02 0.05 -0.07 -0.04 1.99 1.95 2r5hE1 GLU 352 HG2 -0.02 0.03 0.03 -0.04 2.34 2.34 2r5hE1 GLU 352 HG3 -0.00 -0.02 0.06 -0.04 2.34 2.33 2r5hE1 THR 353 H 0.02 0.08 0.11 -0.55 8.28 7.94 2r5hE1 THR 353 HA 0.04 0.33 1.06 -0.75 4.39 5.07 2r5hE1 THR 353 HB 0.03 -0.03 0.19 -0.04 4.32 4.47 2r5hE1 THR 353 HG23 0.02 0.03 0.02 -0.04 1.22 1.25 2r5hE1 THR 354 H 0.05 0.12 -0.18 -0.55 8.28 7.72 2r5hE1 THR 354 HA 0.08 0.18 0.74 -0.75 4.39 4.64 2r5hE1 THR 354 HB 0.07 0.12 -0.02 -0.04 4.32 4.45 2r5hE1 THR 354 HG23 0.04 0.01 -0.12 -0.04 1.22 1.11 2r5hE1 TYR 355 H 0.20 0.12 0.08 -0.55 8.29 8.14 2r5hE1 TYR 355 HA 0.15 0.01 0.30 -0.75 4.56 4.27 2r5hE1 TYR 355 HB2 -0.01 0.04 0.07 -0.04 3.06 3.12 2r5hE1 TYR 355 HB3 0.00 -0.00 0.10 -0.04 2.98 3.04 2r5hE1 TYR 355 HD2 -0.14 -0.00 -0.18 -0.04 7.15 6.79 2r5hE1 TYR 355 HE2 -0.32 -0.01 -0.10 -0.04 6.85 6.38 2r5hE1 LYS 356 H -0.35 0.18 0.12 -0.55 8.42 7.81 2r5hE1 LYS 356 HA -0.02 0.19 0.39 -0.75 4.32 4.13 2r5hE1 LYS 356 HB2 -0.04 0.00 0.14 -0.04 1.87 1.93 2r5hE1 LYS 356 HB3 -0.03 -0.15 -0.03 -0.04 1.79 1.54 2r5hE1 LYS 356 HG2 0.02 0.01 0.10 -0.04 1.46 1.54 2r5hE1 LYS 356 HG3 0.02 0.22 -0.23 -0.04 1.46 1.43 2r5hE1 LYS 356 HD2 -0.02 -0.03 -0.01 -0.04 1.69 1.59 2r5hE1 LYS 356 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.60 2r5hE1 LYS 356 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 2r5hE1 LYS 356 HE3 0.01 -0.01 -0.03 -0.04 2.99 2.92 2r5hE1 ASN 357 H 0.07 0.21 0.02 -0.55 8.53 8.28 2r5hE1 ASN 357 HA 0.01 0.07 0.40 -0.75 4.76 4.49 2r5hE1 ASN 357 HB2 0.08 -0.01 0.13 -0.04 2.88 3.04 2r5hE1 ASN 357 HB3 0.05 0.07 -0.01 -0.04 2.79 2.85 2r5hE1 ASN 357 HD21 0.06 0.02 0.02 -0.04 7.03 7.09 2r5hE1 ASN 357 HD22 0.05 0.02 0.01 -0.04 7.74 7.78 2r5hE1 THR 358 H -0.02 0.08 -0.49 -0.55 8.28 7.31 2r5hE1 THR 358 HA 0.02 0.34 0.84 -0.75 4.39 4.83 2r5hE1 THR 358 HB -0.01 0.02 0.23 -0.04 4.32 4.53 2r5hE1 THR 358 HG23 0.00 0.01 -0.04 -0.04 1.22 1.15 2r5hE1 ASN 359 H 0.03 0.46 -0.23 -0.55 8.53 8.24 2r5hE1 ASN 359 HA -0.11 0.19 0.96 -0.75 4.76 5.04 2r5hE1 ASN 359 HB2 -0.09 -0.02 -0.04 -0.04 2.88 2.69 2r5hE1 ASN 359 HB3 -0.04 0.14 0.18 -0.04 2.79 3.03 2r5hE1 ASN 359 HD21 -0.24 0.09 0.03 -0.04 7.03 6.87 2r5hE1 ASN 359 HD22 0.00 -0.05 0.04 -0.04 7.74 7.68 2r5hE1 PHE 360 H 0.22 0.27 -0.07 -0.55 8.34 8.22 2r5hE1 PHE 360 HA -0.00 0.16 0.57 -0.75 4.62 4.59 2r5hE1 PHE 360 HB2 -0.02 0.01 -0.02 -0.04 3.15 3.08 2r5hE1 PHE 360 HB3 0.03 0.04 -0.21 -0.04 3.06 2.88 2r5hE1 PHE 360 HD2 -0.13 0.02 -0.21 -0.04 7.28 6.92 2r5hE1 PHE 360 HE2 -0.16 -0.07 -0.07 -0.04 7.38 7.05 2r5hE1 PHE 360 HZ -0.01 0.04 -0.10 -0.04 7.32 7.21 2r5hE1 LYS 361 H 0.11 0.61 0.14 -0.55 8.42 8.73 2r5hE1 LYS 361 HA -0.03 0.15 0.93 -0.75 4.32 4.62 2r5hE1 LYS 361 HB2 0.13 0.11 0.17 -0.04 1.87 2.25 2r5hE1 LYS 361 HB3 -0.14 0.03 -0.04 -0.04 1.79 1.59 2r5hE1 LYS 361 HG2 -0.07 0.02 0.02 -0.04 1.46 1.39 2r5hE1 LYS 361 HG3 0.01 -0.03 -0.11 -0.04 1.46 1.29 2r5hE1 LYS 361 HD2 0.12 0.03 -0.03 -0.04 1.69 1.76 2r5hE1 LYS 361 HD3 0.15 0.00 -0.03 -0.04 1.68 1.76 2r5hE1 LYS 361 HE2 0.01 -0.00 -0.02 -0.04 2.99 2.94 2r5hE1 LYS 361 HE3 0.03 -0.01 -0.03 -0.04 2.99 2.94 2r5hE1 GLU 362 H -0.14 0.20 0.18 -0.55 8.60 8.28 2r5hE1 GLU 362 HA 0.05 0.20 0.87 -0.75 4.29 4.66 2r5hE1 GLU 362 HB2 -0.04 -0.02 0.11 -0.04 2.09 2.09 2r5hE1 GLU 362 HB3 0.01 0.03 -0.10 -0.04 1.99 1.89 2r5hE1 GLU 362 HG2 0.05 0.01 -0.24 -0.04 2.34 2.11 2r5hE1 GLU 362 HG3 0.02 -0.01 -0.07 -0.04 2.34 2.24 2r5hE1 TYR 363 H 0.20 0.65 0.36 -0.55 8.29 8.95 2r5hE1 TYR 363 HA 0.10 0.12 0.82 -0.75 4.56 4.84 2r5hE1 TYR 363 HB2 0.06 0.01 0.04 -0.04 3.06 3.13 2r5hE1 TYR 363 HB3 0.09 0.03 0.04 -0.04 2.98 3.10 2r5hE1 TYR 363 HD2 0.08 0.10 -0.05 -0.04 7.15 7.24 2r5hE1 TYR 363 HE2 0.05 -0.02 -0.07 -0.04 6.85 6.77 2r5hE1 LEU 364 H 0.21 0.19 0.17 -0.55 8.37 8.40 2r5hE1 LEU 364 HA 0.03 0.21 0.99 -0.75 4.35 4.83 2r5hE1 LEU 364 HB2 -0.09 -0.07 0.18 -0.04 1.64 1.62 2r5hE1 LEU 364 HB3 -0.14 0.06 0.05 -0.04 1.64 1.57 2r5hE1 LEU 364 HG 0.06 -0.07 -0.24 -0.04 1.64 1.35 2r5hE1 LEU 364 HD13 0.12 -0.01 -0.04 -0.04 0.93 0.97 2r5hE1 LEU 364 HD23 0.03 0.03 -0.01 -0.04 0.89 0.90 2r5hE1 ARG 365 H 0.01 0.55 0.25 -0.55 8.46 8.72 2r5hE1 ARG 365 HA -0.05 0.31 0.89 -0.75 4.34 4.75 2r5hE1 ARG 365 HB2 0.03 -0.09 0.01 -0.04 1.90 1.81 2r5hE1 ARG 365 HB3 0.02 0.02 0.07 -0.04 1.80 1.86 2r5hE1 ARG 365 HG2 0.06 -0.13 -0.51 -0.04 1.67 1.04 2r5hE1 ARG 365 HG3 0.01 -0.04 -0.10 -0.04 1.67 1.50 2r5hE1 ARG 365 HD2 0.02 -0.03 0.01 -0.04 3.22 3.18 2r5hE1 ARG 365 HD3 0.02 0.26 0.34 -0.04 3.22 3.80 2r5hE1 HIS 366 H 0.05 0.51 0.28 -0.55 8.41 8.69 2r5hE1 HIS 366 HA -0.03 0.03 0.75 -0.75 4.63 4.63 2r5hE1 HIS 366 HB2 -0.09 -0.08 -0.01 -0.04 3.26 3.05 2r5hE1 HIS 366 HB3 -0.07 0.12 0.10 -0.04 3.20 3.30 2r5hE1 HIS 366 HD2 -0.02 -0.12 0.20 -0.04 6.97 6.99 2r5hE1 HIS 366 HE1 -0.02 -0.20 0.05 -0.04 7.75 7.54 2r5hE1 GLY 367 H 0.08 0.16 0.17 -0.55 8.43 8.30 2r5hE1 GLY 367 HA2 -0.06 0.25 0.85 -0.51 4.01 4.54 2r5hE1 GLY 367 HA3 -0.02 -0.04 0.34 -0.51 4.01 3.78 2r5hE1 GLU 368 H -0.01 0.47 0.28 -0.55 8.60 8.79 2r5hE1 GLU 368 HA -0.10 0.12 0.19 -0.75 4.29 3.74 2r5hE1 GLU 368 HB2 0.15 -0.10 0.06 -0.04 2.09 2.16 2r5hE1 GLU 368 HB3 0.06 -0.04 -0.07 -0.04 1.99 1.90 2r5hE1 GLU 368 HG2 -0.28 0.60 0.47 -0.04 2.34 3.08 2r5hE1 GLU 368 HG3 -0.13 -0.05 -0.37 -0.04 2.34 1.74 2r5hE1 GLU 369 H -0.13 0.20 -0.07 -0.55 8.60 8.05 2r5hE1 GLU 369 HA 0.06 0.29 1.04 -0.75 4.29 4.92 2r5hE1 GLU 369 HB2 -0.00 0.02 -0.01 -0.04 2.09 2.05 2r5hE1 GLU 369 HB3 -0.06 -0.10 -0.16 -0.04 1.99 1.64 2r5hE1 GLU 369 HG2 -0.03 -0.17 -0.21 -0.04 2.34 1.89 2r5hE1 GLU 369 HG3 0.02 0.20 0.04 -0.04 2.34 2.57 2r5hE1 TYR 370 H 0.20 0.49 0.06 -0.55 8.29 8.48 2r5hE1 TYR 370 HA -0.08 0.29 0.88 -0.75 4.56 4.90 2r5hE1 TYR 370 HB2 -0.03 -0.01 -0.04 -0.04 3.06 2.93 2r5hE1 TYR 370 HB3 -0.24 -0.07 -0.02 -0.04 2.98 2.61 2r5hE1 TYR 370 HD2 0.00 0.01 -0.16 -0.04 7.15 6.96 2r5hE1 TYR 370 HE2 0.05 0.01 -0.13 -0.04 6.85 6.73 2r5hE1 ASP 371 H 0.03 0.38 0.14 -0.55 8.40 8.41 2r5hE1 ASP 371 HA -0.06 0.01 0.28 -0.75 4.63 4.11 2r5hE1 ASP 371 HB2 -0.02 0.14 0.14 -0.04 2.71 2.93 2r5hE1 ASP 371 HB3 -0.05 -0.15 0.06 -0.04 2.70 2.52 2r5hE1 LEU 372 H -0.16 0.09 0.11 -0.55 8.37 7.87 2r5hE1 LEU 372 HA -0.29 0.21 1.20 -0.75 4.35 4.71 2r5hE1 LEU 372 HB2 -0.13 -0.13 0.11 -0.04 1.64 1.45 2r5hE1 LEU 372 HB3 -0.09 0.07 0.01 -0.04 1.64 1.59 2r5hE1 LEU 372 HG -0.67 -0.08 -0.13 -0.04 1.64 0.73 2r5hE1 LEU 372 HD13 -1.05 0.02 -0.07 -0.04 0.93 -0.21 2r5hE1 LEU 372 HD23 -0.41 0.06 -0.01 -0.04 0.89 0.48 2r5hE1 GLN 373 H -0.69 0.22 0.26 -0.55 8.47 7.71 2r5hE1 GLN 373 HA -0.34 0.22 1.01 -0.75 4.36 4.49 2r5hE1 GLN 373 HB2 -0.42 -0.14 0.16 -0.04 2.15 1.72 2r5hE1 GLN 373 HB3 -0.30 -0.05 0.01 -0.04 2.02 1.63 2r5hE1 GLN 373 HG2 -0.21 0.02 -0.46 -0.04 2.40 1.71 2r5hE1 GLN 373 HG3 -0.20 -0.05 -0.12 -0.04 2.39 1.97 2r5hE1 GLN 373 HE21 0.03 0.01 -0.02 -0.04 6.97 6.95 2r5hE1 GLN 373 HE22 -0.06 -0.08 -0.06 -0.04 7.69 7.44 2r5hE1 PHE 374 H -0.47 0.51 0.39 -0.55 8.34 8.22 2r5hE1 PHE 374 HA -0.44 0.57 1.17 -0.75 4.62 5.16 2r5hE1 PHE 374 HB2 -0.31 -0.06 -0.10 -0.04 3.15 2.64 2r5hE1 PHE 374 HB3 -1.08 -0.02 -0.02 -0.04 3.06 1.89 2r5hE1 PHE 374 HD2 -0.28 0.06 -0.28 -0.04 7.28 6.74 2r5hE1 PHE 374 HE2 -0.12 -0.05 -0.20 -0.04 7.38 6.97 2r5hE1 PHE 374 HZ -0.14 -0.02 -0.14 -0.04 7.32 6.98 2r5hE1 ILE 375 H -0.48 0.50 0.39 -0.55 8.25 8.11 2r5hE1 ILE 375 HA -0.18 0.36 1.14 -0.75 4.18 4.74 2r5hE1 ILE 375 HB -0.39 -0.21 0.29 -0.04 1.89 1.53 2r5hE1 ILE 375 HG12 -0.11 -0.08 -0.48 -0.04 1.49 0.78 2r5hE1 ILE 375 HG13 0.00 0.00 -0.15 -0.04 1.21 1.03 2r5hE1 ILE 375 HG23 -0.41 0.02 -0.20 -0.04 0.93 0.30 2r5hE1 ILE 375 HD13 0.16 0.01 -0.08 -0.04 0.88 0.93 2r5hE1 PHE 376 H 0.17 0.90 0.40 -0.55 8.34 9.26 2r5hE1 PHE 376 HA 0.13 0.37 1.18 -0.75 4.62 5.54 2r5hE1 PHE 376 HB2 0.00 -0.05 0.01 -0.04 3.15 3.07 2r5hE1 PHE 376 HB3 0.50 -0.03 0.04 -0.04 3.06 3.52 2r5hE1 PHE 376 HD2 -0.38 0.05 -0.36 -0.04 7.28 6.55 2r5hE1 PHE 376 HE2 -0.35 0.01 -0.26 -0.04 7.38 6.73 2r5hE1 PHE 376 HZ -0.68 0.01 -0.23 -0.04 7.32 6.38 2r5hE1 GLN 377 H 0.44 0.66 0.40 -0.55 8.47 9.43 2r5hE1 GLN 377 HA 0.06 0.20 0.77 -0.75 4.36 4.63 2r5hE1 GLN 377 HB2 0.32 -0.05 -0.01 -0.04 2.15 2.37 2r5hE1 GLN 377 HB3 0.11 -0.05 0.09 -0.04 2.02 2.12 2r5hE1 GLN 377 HG2 -0.11 0.11 -0.18 -0.04 2.40 2.18 2r5hE1 GLN 377 HG3 -0.38 0.01 0.03 -0.04 2.39 2.01 2r5hE1 GLN 377 HE21 0.22 -0.00 -0.04 -0.04 6.97 7.10 2r5hE1 GLN 377 HE22 0.65 -0.05 -0.05 -0.04 7.69 8.20 2r5hE1 LEU 378 H -0.17 0.65 0.32 -0.55 8.37 8.62 2r5hE1 LEU 378 HA -0.75 0.07 0.60 -0.75 4.35 3.52 2r5hE1 LEU 378 HB2 -0.63 0.00 0.05 -0.04 1.64 1.02 2r5hE1 LEU 378 HB3 -0.50 -0.12 0.11 -0.04 1.64 1.08 2r5hE1 LEU 378 HG -0.71 -0.00 -0.16 -0.04 1.64 0.72 2r5hE1 LEU 378 HD13 -0.88 -0.06 0.03 -0.04 0.93 -0.02 2r5hE1 LEU 378 HD23 -1.26 -0.01 -0.08 -0.04 0.89 -0.50 2r5hE1 CYS 379 H -0.52 0.21 0.31 -0.55 8.50 7.95 2r5hE1 CYS 379 HA -0.20 0.12 0.89 -0.75 4.58 4.63 2r5hE1 CYS 379 HB2 -0.15 0.18 0.01 -0.04 2.97 2.97 2r5hE1 CYS 379 HB3 -0.09 0.01 0.06 -0.04 2.97 2.91 2r5hE1 LYS 380 H -0.08 0.70 0.32 -0.55 8.42 8.82 2r5hE1 LYS 380 HA -0.07 0.22 0.52 -0.75 4.32 4.24 2r5hE1 LYS 380 HB2 0.06 -0.08 -0.05 -0.04 1.87 1.75 2r5hE1 LYS 380 HB3 -0.02 0.03 -0.17 -0.04 1.79 1.59 2r5hE1 LYS 380 HG2 -0.03 -0.01 -0.16 -0.04 1.46 1.22 2r5hE1 LYS 380 HG3 0.01 -0.04 -0.04 -0.04 1.46 1.35 2r5hE1 LYS 380 HD2 0.14 -0.13 -0.02 -0.04 1.69 1.64 2r5hE1 LYS 380 HD3 0.19 0.10 -0.07 -0.04 1.68 1.86 2r5hE1 LYS 380 HE2 0.03 -0.03 -0.13 -0.04 2.99 2.82 2r5hE1 LYS 380 HE3 0.04 -0.07 -0.07 -0.04 2.99 2.84 2r5hE1 ILE 381 H -0.04 0.42 0.17 -0.55 8.25 8.26 2r5hE1 ILE 381 HA 0.08 0.14 0.54 -0.75 4.18 4.19 2r5hE1 ILE 381 HB 0.01 -0.03 0.17 -0.04 1.89 2.00 2r5hE1 ILE 381 HG12 0.20 0.08 0.16 -0.04 1.49 1.89 2r5hE1 ILE 381 HG13 0.15 -0.11 -0.62 -0.04 1.21 0.58 2r5hE1 ILE 381 HG23 0.26 0.17 0.01 -0.04 0.93 1.33 2r5hE1 ILE 381 HD13 0.59 -0.01 -0.06 -0.04 0.88 1.36 2r5hE1 THR 382 H 0.04 0.16 0.08 -0.55 8.28 8.01 2r5hE1 THR 382 HA -0.03 0.12 0.45 -0.75 4.39 4.18 2r5hE1 THR 382 HB -0.01 0.03 -0.06 -0.04 4.32 4.24 2r5hE1 THR 382 HG23 0.00 -0.01 -0.03 -0.04 1.22 1.15 2r5hE1 LEU 383 H -0.04 0.62 0.23 -0.55 8.37 8.63 2r5hE1 LEU 383 HA 0.01 0.02 0.63 -0.75 4.35 4.26 2r5hE1 LEU 383 HB2 -0.05 0.12 0.33 -0.04 1.64 1.99 2r5hE1 LEU 383 HB3 -0.01 -0.02 0.16 -0.04 1.64 1.74 2r5hE1 LEU 383 HG -0.13 -0.06 -0.03 -0.04 1.64 1.37 2r5hE1 LEU 383 HD13 -0.37 0.07 0.07 -0.04 0.93 0.65 2r5hE1 LEU 383 HD23 -0.08 0.01 0.02 -0.04 0.89 0.80 2r5hE1 THR 384 H 0.03 0.20 0.05 -0.55 8.28 8.01 2r5hE1 THR 384 HA 0.01 0.29 0.85 -0.75 4.39 4.78 2r5hE1 THR 384 HB 0.01 -0.03 0.18 -0.04 4.32 4.45 2r5hE1 THR 384 HG23 0.02 0.08 -0.08 -0.04 1.22 1.20 2r5hE1 ALA 385 H 0.01 0.14 0.14 -0.55 8.40 8.15 2r5hE1 ALA 385 HA 0.01 0.21 0.58 -0.75 4.34 4.38 2r5hE1 ALA 385 HB3 0.00 -0.01 0.16 -0.04 1.41 1.52 2r5hE1 ASP 386 H 0.01 0.14 0.08 -0.55 8.40 8.08 2r5hE1 ASP 386 HA 0.02 0.14 0.44 -0.75 4.63 4.47 2r5hE1 ASP 386 HB2 -0.00 0.01 -0.04 -0.04 2.71 2.63 2r5hE1 ASP 386 HB3 -0.01 0.11 0.08 -0.04 2.70 2.84 2r5hE1 VAL 387 H 0.02 -0.08 -0.63 -0.55 8.24 7.01 2r5hE1 VAL 387 HA -0.01 0.17 0.57 -0.75 4.13 4.11 2r5hE1 VAL 387 HB 0.04 -0.28 0.17 -0.04 2.12 2.02 2r5hE1 VAL 387 HG13 0.11 0.21 0.15 -0.04 0.97 1.40 2r5hE1 VAL 387 HG23 0.07 0.08 0.08 -0.04 0.95 1.14 2r5hE1 MET 388 H 0.05 0.22 -0.16 -0.55 8.47 8.03 2r5hE1 MET 388 HA 0.11 0.01 0.19 -0.75 4.52 4.08 2r5hE1 MET 388 HB2 0.04 0.06 0.15 -0.04 2.15 2.36 2r5hE1 MET 388 HB3 0.03 0.10 0.26 -0.04 2.03 2.38 2r5hE1 MET 388 HG2 0.03 -0.03 -0.10 -0.04 2.63 2.49 2r5hE1 MET 388 HG3 0.09 -0.05 0.06 -0.04 2.56 2.62 2r5hE1 MET 388 HE3 0.05 0.01 0.03 -0.04 2.10 2.15 2r5hE1 THR 389 H 0.04 0.46 -0.31 -0.55 8.28 7.92 2r5hE1 THR 389 HA 0.02 0.07 0.27 -0.75 4.39 4.00 2r5hE1 THR 389 HB 0.04 -0.01 -0.06 -0.04 4.32 4.25 2r5hE1 THR 389 HG23 -0.01 0.01 -0.04 -0.04 1.22 1.15 2r5hE1 TYR 390 H 0.15 0.37 -0.18 -0.55 8.29 8.08 2r5hE1 TYR 390 HA -0.01 0.05 0.38 -0.75 4.56 4.24 2r5hE1 TYR 390 HB2 -0.10 0.19 0.23 -0.04 3.06 3.34 2r5hE1 TYR 390 HB3 -0.23 -0.03 0.16 -0.04 2.98 2.84 2r5hE1 TYR 390 HD2 -0.40 -0.00 0.01 -0.04 7.15 6.71 2r5hE1 TYR 390 HE2 0.11 0.22 0.11 -0.04 6.85 7.24 2r5hE1 ILE 391 H 0.09 0.58 -0.20 -0.55 8.25 8.17 2r5hE1 ILE 391 HA -0.27 -0.01 0.27 -0.75 4.18 3.41 2r5hE1 ILE 391 HB 0.16 0.11 -0.11 -0.04 1.89 2.01 2r5hE1 ILE 391 HG12 0.07 -0.04 -0.02 -0.04 1.49 1.46 2r5hE1 ILE 391 HG13 0.13 0.01 -0.16 -0.04 1.21 1.16 2r5hE1 ILE 391 HG23 -0.01 -0.01 0.01 -0.04 0.93 0.88 2r5hE1 ILE 391 HD13 0.60 0.01 -0.06 -0.04 0.88 1.39 2r5hE1 HIS 392 H 0.05 0.29 -1.15 -0.55 8.41 7.06 2r5hE1 HIS 392 HA -0.13 0.11 0.64 -0.75 4.63 4.50 2r5hE1 HIS 392 HB2 -0.02 0.04 0.01 -0.04 3.26 3.26 2r5hE1 HIS 392 HB3 -0.03 0.19 0.14 -0.04 3.20 3.45 2r5hE1 HIS 392 HD2 -0.02 0.00 0.01 -0.04 6.97 6.92 2r5hE1 HIS 392 HE1 -0.03 -0.02 -0.03 -0.04 7.75 7.63 2r5hE1 SER 393 H 0.02 0.51 0.14 -0.55 8.46 8.58 2r5hE1 SER 393 HA -0.00 0.03 0.54 -0.75 4.49 4.31 2r5hE1 SER 393 HB2 0.02 0.03 0.10 -0.04 3.95 4.06 2r5hE1 SER 393 HB3 0.03 -0.04 0.14 -0.04 3.93 4.03 2r5hE1 MET 394 H -0.35 0.10 -0.55 -0.55 8.47 7.12 2r5hE1 MET 394 HA -0.95 0.14 0.90 -0.75 4.52 3.85 2r5hE1 MET 394 HB2 -0.82 0.17 0.01 -0.04 2.15 1.47 2r5hE1 MET 394 HB3 -0.67 -0.31 0.18 -0.04 2.03 1.18 2r5hE1 MET 394 HG2 -0.93 -0.03 -0.10 -0.04 2.63 1.53 2r5hE1 MET 394 HG3 -2.56 -0.01 0.05 -0.04 2.56 -0.01 2r5hE1 MET 394 HE3 -1.52 -0.01 0.03 -0.04 2.10 0.56 2r5hE1 ASN 395 H -0.55 0.29 -0.04 -0.55 8.53 7.69 2r5hE1 ASN 395 HA -0.34 0.21 0.95 -0.75 4.76 4.83 2r5hE1 ASN 395 HB2 -0.51 0.01 -0.08 -0.04 2.88 2.27 2r5hE1 ASN 395 HB3 -0.57 -0.04 0.21 -0.04 2.79 2.35 2r5hE1 ASN 395 HD21 -0.17 0.03 -0.05 -0.04 7.03 6.80 2r5hE1 ASN 395 HD22 -0.26 0.02 -0.05 -0.04 7.74 7.40 2r5hE1 SER 396 H -0.33 0.26 0.05 -0.55 8.46 7.89 2r5hE1 SER 396 HA -0.39 0.11 0.42 -0.75 4.49 3.87 2r5hE1 SER 396 HB2 -0.28 -0.00 0.11 -0.04 3.95 3.73 2r5hE1 SER 396 HB3 -0.45 0.17 0.18 -0.04 3.93 3.78 2r5hE1 THR 397 H -0.20 0.14 -0.05 -0.55 8.28 7.62 2r5hE1 THR 397 HA -0.12 0.01 0.30 -0.75 4.39 3.83 2r5hE1 THR 397 HB -0.14 0.04 0.03 -0.04 4.32 4.20 2r5hE1 THR 397 HG23 -0.10 0.02 0.07 -0.04 1.22 1.16 2r5hE1 ILE 398 H -0.36 0.48 -0.49 -0.55 8.25 7.33 2r5hE1 ILE 398 HA -0.59 -0.09 0.15 -0.75 4.18 2.90 2r5hE1 ILE 398 HB -0.57 0.07 0.18 -0.04 1.89 1.52 2r5hE1 ILE 398 HG12 -0.65 0.59 0.26 -0.04 1.49 1.64 2r5hE1 ILE 398 HG13 -1.18 -0.12 0.09 -0.04 1.21 -0.04 2r5hE1 ILE 398 HG23 -1.76 -0.04 -0.06 -0.04 0.93 -0.97 2r5hE1 ILE 398 HD13 -0.43 -0.07 -0.02 -0.04 0.88 0.31 2r5hE1 LEU 399 H -0.19 0.43 0.06 -0.55 8.37 8.13 2r5hE1 LEU 399 HA 0.59 0.01 0.39 -0.75 4.35 4.58 2r5hE1 LEU 399 HB2 0.07 0.05 0.17 -0.04 1.64 1.89 2r5hE1 LEU 399 HB3 0.20 -0.01 0.03 -0.04 1.64 1.82 2r5hE1 LEU 399 HG 0.05 -0.03 0.02 -0.04 1.64 1.64 2r5hE1 LEU 399 HD13 0.14 -0.01 -0.12 -0.04 0.93 0.89 2r5hE1 LEU 399 HD23 0.45 -0.02 -0.02 -0.04 0.89 1.26 2r5hE1 GLU 400 H -0.02 0.21 -0.15 -0.55 8.60 8.10 2r5hE1 GLU 400 HA 0.06 0.01 0.27 -0.75 4.29 3.87 2r5hE1 GLU 400 HB2 -0.04 -0.06 0.14 -0.04 2.09 2.09 2r5hE1 GLU 400 HB3 0.01 -0.02 -0.07 -0.04 1.99 1.86 2r5hE1 GLU 400 HG2 0.02 -0.00 -0.03 -0.04 2.34 2.29 2r5hE1 GLU 400 HG3 -0.03 0.07 -0.19 -0.04 2.34 2.14 2r5hE1 ASP 401 H -0.07 0.64 0.15 -0.55 8.40 8.57 2r5hE1 ASP 401 HA 0.00 -0.07 0.61 -0.75 4.63 4.42 2r5hE1 ASP 401 HB2 -0.18 0.06 -0.04 -0.04 2.71 2.52 2r5hE1 ASP 401 HB3 -0.05 -0.10 -0.06 -0.04 2.70 2.46 2r5hE1 TRP 402 H 0.05 0.42 -0.54 -0.55 7.97 7.35 2r5hE1 TRP 402 HA 0.06 -0.24 0.48 -0.75 4.62 4.17 2r5hE1 TRP 402 HB2 0.04 0.16 0.34 -0.04 3.23 3.73 2r5hE1 TRP 402 HB3 0.06 -0.08 0.03 -0.04 3.23 3.20 2r5hE1 TRP 402 HD1 0.09 -0.07 0.04 -0.04 7.22 7.23 2r5hE1 TRP 402 HE1 0.13 0.11 -0.12 -0.04 10.20 10.28 2r5hE1 TRP 402 HE3 0.04 0.01 -0.08 -0.04 7.59 7.52 2r5hE1 TRP 402 HZ2 0.35 -0.05 -0.16 -0.04 7.44 7.54 2r5hE1 TRP 402 HZ3 0.03 -0.06 -0.09 -0.04 7.13 6.97 2r5hE1 TRP 402 HH2 0.26 -0.05 -0.07 -0.04 7.19 7.29 2r5hE1 ASN 403 H 0.29 -0.03 0.21 -0.55 8.53 8.45 2r5hE1 ASN 403 HA 0.12 0.14 0.41 -0.75 4.76 4.69 2r5hE1 ASN 403 HB2 0.09 0.17 -0.04 -0.04 2.88 3.07 2r5hE1 ASN 403 HB3 0.10 0.05 0.03 -0.04 2.79 2.94 2r5hE1 ASN 403 HD21 0.05 -0.07 0.05 -0.04 7.03 7.02 2r5hE1 ASN 403 HD22 0.06 0.04 0.09 -0.04 7.74 7.89 2r5hE1 GLU 438 HA 0.00 -0.06 0.18 -0.75 4.29 3.66 2r5hE1 GLU 438 HB2 0.00 -0.01 0.00 -0.04 2.09 2.04 2r5hE1 GLU 438 HB3 0.01 -0.02 -0.14 -0.04 1.99 1.79 2r5hE1 GLU 438 HG2 0.01 -0.18 0.03 -0.04 2.34 2.17 2r5hE1 GLU 438 HG3 0.00 -0.01 -0.01 -0.04 2.34 2.28 2r5hE1 ASP 439 H 0.02 0.08 0.04 -0.55 8.40 8.00 2r5hE1 ASP 439 HA 0.03 0.22 0.66 -0.75 4.63 4.79 2r5hE1 ASP 439 HB2 0.04 0.05 0.04 -0.04 2.71 2.79 2r5hE1 ASP 439 HB3 0.05 -0.00 0.09 -0.04 2.70 2.79 2r5hE1 PRO 440 HA 0.08 0.08 0.25 -0.51 4.44 4.34 2r5hE1 PRO 440 HB2 0.08 0.01 0.04 -0.04 2.28 2.37 2r5hE1 PRO 440 HB3 0.03 0.07 0.09 -0.04 2.02 2.17 2r5hE1 PRO 440 HG2 0.07 0.02 0.01 -0.04 2.03 2.09 2r5hE1 PRO 440 HG3 0.01 0.05 0.07 -0.04 2.03 2.12 2r5hE1 PRO 440 HD2 0.06 0.04 0.14 -0.04 3.68 3.89 2r5hE1 PRO 440 HD3 0.02 0.29 0.28 -0.04 3.65 4.20 2r5hE1 LEU 441 H 0.16 0.14 -0.42 -0.55 8.37 7.70 2r5hE1 LEU 441 HA 0.60 0.11 0.62 -0.75 4.35 4.93 2r5hE1 LEU 441 HB2 0.31 0.04 0.05 -0.04 1.64 2.00 2r5hE1 LEU 441 HB3 0.50 0.02 0.03 -0.04 1.64 2.15 2r5hE1 LEU 441 HG 0.15 -0.11 -0.16 -0.04 1.64 1.49 2r5hE1 LEU 441 HD13 0.21 0.02 -0.06 -0.04 0.93 1.06 2r5hE1 LEU 441 HD23 0.08 0.03 -0.16 -0.04 0.89 0.80 2r5hE1 LYS 442 H 0.13 0.28 -0.43 -0.55 8.42 7.85 2r5hE1 LYS 442 HA 0.07 0.14 0.50 -0.75 4.32 4.28 2r5hE1 LYS 442 HB2 0.04 0.42 0.12 -0.04 1.87 2.41 2r5hE1 LYS 442 HB3 0.00 -0.04 -0.02 -0.04 1.79 1.70 2r5hE1 LYS 442 HG2 -0.00 -0.03 -0.02 -0.04 1.46 1.37 2r5hE1 LYS 442 HG3 -0.01 -0.01 -0.00 -0.04 1.46 1.40 2r5hE1 LYS 442 HD2 0.01 -0.01 0.03 -0.04 1.69 1.68 2r5hE1 LYS 442 HD3 0.04 0.01 0.03 -0.04 1.68 1.72 2r5hE1 LYS 442 HE2 0.02 -0.02 0.04 -0.04 2.99 2.99 2r5hE1 LYS 442 HE3 0.02 -0.04 0.08 -0.04 2.99 3.01 2r5hE1 LYS 443 H -0.02 0.05 -0.08 -0.55 8.42 7.82 2r5hE1 LYS 443 HA -0.20 0.17 0.43 -0.75 4.32 3.97 2r5hE1 LYS 443 HB2 -0.55 0.01 0.10 -0.04 1.87 1.38 2r5hE1 LYS 443 HB3 -0.22 0.01 0.06 -0.04 1.79 1.60 2r5hE1 LYS 443 HG2 -0.14 0.06 0.08 -0.04 1.46 1.42 2r5hE1 LYS 443 HG3 -0.15 0.02 0.03 -0.04 1.46 1.31 2r5hE1 LYS 443 HD2 -0.08 0.02 -0.04 -0.04 1.69 1.55 2r5hE1 LYS 443 HD3 -0.03 -0.17 -0.02 -0.04 1.68 1.41 2r5hE1 LYS 443 HE2 -0.00 -0.00 0.00 -0.04 2.99 2.95 2r5hE1 LYS 443 HE3 -0.00 -0.00 -0.04 -0.04 2.99 2.90 2r5hE1 TYR 444 H 0.01 0.10 -0.72 -0.55 8.29 7.13 2r5hE1 TYR 444 HA -0.26 0.18 0.77 -0.75 4.56 4.49 2r5hE1 TYR 444 HB2 -0.06 0.00 -0.10 -0.04 3.06 2.86 2r5hE1 TYR 444 HB3 -0.76 0.02 -0.09 -0.04 2.98 2.11 2r5hE1 TYR 444 HD2 -0.03 -0.06 -0.02 -0.04 7.15 7.00 2r5hE1 TYR 444 HE2 -0.00 0.08 0.01 -0.04 6.85 6.90 2r5hE1 THR 445 H -0.38 0.17 0.10 -0.55 8.28 7.61 2r5hE1 THR 445 HA -0.24 0.28 1.13 -0.75 4.39 4.79 2r5hE1 THR 445 HB -0.20 0.02 0.09 -0.04 4.32 4.18 2r5hE1 THR 445 HG23 -0.10 0.02 -0.03 -0.04 1.22 1.07 2r5hE1 PHE 446 H -0.01 0.41 0.23 -0.55 8.34 8.42 2r5hE1 PHE 446 HA -0.03 0.08 0.87 -0.75 4.62 4.78 2r5hE1 PHE 446 HB2 0.10 0.00 -0.17 -0.04 3.15 3.04 2r5hE1 PHE 446 HB3 -0.00 0.06 -0.16 -0.04 3.06 2.92 2r5hE1 PHE 446 HD2 -0.06 0.03 -0.10 -0.04 7.28 7.11 2r5hE1 PHE 446 HE2 -0.15 0.12 -0.13 -0.04 7.38 7.18 2r5hE1 PHE 446 HZ -0.45 -0.01 -0.17 -0.04 7.32 6.65 2r5hE1 TRP 447 H 0.28 0.81 0.35 -0.55 7.97 8.87 2r5hE1 TRP 447 HA 0.01 0.08 0.55 -0.75 4.62 4.51 2r5hE1 TRP 447 HB2 -0.29 0.03 0.09 -0.04 3.23 3.01 2r5hE1 TRP 447 HB3 -0.24 -0.08 0.17 -0.04 3.23 3.05 2r5hE1 TRP 447 HD1 0.10 0.13 -0.37 -0.04 7.22 7.04 2r5hE1 TRP 447 HE1 0.11 0.01 -0.03 -0.04 10.20 10.25 2r5hE1 TRP 447 HE3 -0.49 -0.00 -0.08 -0.04 7.59 6.97 2r5hE1 TRP 447 HZ2 0.11 -0.03 0.03 -0.04 7.44 7.52 2r5hE1 TRP 447 HZ3 -0.00 0.01 -0.13 -0.04 7.13 6.96 2r5hE1 TRP 447 HH2 0.14 0.02 -0.29 -0.04 7.19 7.03 2r5hE1 GLU 448 H 0.46 0.17 0.23 -0.55 8.60 8.91 2r5hE1 GLU 448 HA 0.32 0.11 0.05 -0.75 4.29 4.02 2r5hE1 GLU 448 HB2 0.22 -0.04 0.19 -0.04 2.09 2.42 2r5hE1 GLU 448 HB3 0.31 -0.01 -0.03 -0.04 1.99 2.21 2r5hE1 GLU 448 HG2 0.21 0.19 0.09 -0.04 2.34 2.78 2r5hE1 GLU 448 HG3 0.17 -0.02 0.04 -0.04 2.34 2.50 2r5hE1 VAL 449 H 0.13 0.67 0.41 -0.55 8.24 8.90 2r5hE1 VAL 449 HA 0.20 0.17 1.04 -0.75 4.13 4.79 2r5hE1 VAL 449 HB -0.04 -0.10 0.03 -0.04 2.12 1.97 2r5hE1 VAL 449 HG13 -0.02 -0.01 -0.10 -0.04 0.97 0.79 2r5hE1 VAL 449 HG23 0.02 0.05 -0.19 -0.04 0.95 0.79 2r5hE1 ASN 450 H 0.13 0.21 0.13 -0.55 8.53 8.46 2r5hE1 ASN 450 HA 0.14 0.20 1.04 -0.75 4.76 5.39 2r5hE1 ASN 450 HB2 0.11 0.06 0.02 -0.04 2.88 3.02 2r5hE1 ASN 450 HB3 0.08 0.02 0.18 -0.04 2.79 3.03 2r5hE1 ASN 450 HD21 -0.01 0.00 -0.01 -0.04 7.03 6.97 2r5hE1 ASN 450 HD22 -0.01 0.06 -0.00 -0.04 7.74 7.74 2r5hE1 LEU 451 H 0.00 0.94 0.33 -0.55 8.37 9.09 2r5hE1 LEU 451 HA 0.01 0.18 0.80 -0.75 4.35 4.58 2r5hE1 LEU 451 HB2 -0.08 0.24 -0.11 -0.04 1.64 1.65 2r5hE1 LEU 451 HB3 0.02 -0.08 -0.03 -0.04 1.64 1.50 2r5hE1 LEU 451 HG -0.12 -0.03 -0.35 -0.04 1.64 1.10 2r5hE1 LEU 451 HD13 -0.40 -0.00 -0.27 -0.04 0.93 0.22 2r5hE1 LEU 451 HD23 -0.06 -0.02 -0.13 -0.04 0.89 0.64 2r5hE1 LYS 452 H -0.03 0.14 -0.02 -0.55 8.42 7.96 2r5hE1 LYS 452 HA -0.28 0.04 0.24 -0.75 4.32 3.58 2r5hE1 LYS 452 HB2 -0.03 -0.04 0.06 -0.04 1.87 1.82 2r5hE1 LYS 452 HB3 -0.07 0.04 -0.04 -0.04 1.79 1.68 2r5hE1 LYS 452 HG2 -0.18 -0.09 -0.01 -0.04 1.46 1.14 2r5hE1 LYS 452 HG3 -0.13 0.08 -0.23 -0.04 1.46 1.14 2r5hE1 LYS 452 HD2 -0.04 -0.02 -0.03 -0.04 1.69 1.56 2r5hE1 LYS 452 HD3 -0.05 -0.00 -0.02 -0.04 1.68 1.57 2r5hE1 LYS 452 HE2 -0.07 -0.00 -0.05 -0.04 2.99 2.83 2r5hE1 LYS 452 HE3 -0.04 0.04 -0.15 -0.04 2.99 2.79 2r5hE1 GLU 453 H 0.02 0.10 -0.32 -0.55 8.60 7.85 2r5hE1 GLU 453 HA 0.07 0.27 0.94 -0.75 4.29 4.81 2r5hE1 GLU 453 HB2 0.05 -0.03 0.08 -0.04 2.09 2.15 2r5hE1 GLU 453 HB3 0.07 0.03 0.21 -0.04 1.99 2.26 2r5hE1 GLU 453 HG2 0.04 -0.00 0.01 -0.04 2.34 2.35 2r5hE1 GLU 453 HG3 0.06 0.05 -0.00 -0.04 2.34 2.41 2r5hE1 LYS 454 H 0.12 0.32 -0.46 -0.55 8.42 7.85 2r5hE1 LYS 454 HA 0.10 0.27 1.18 -0.75 4.32 5.12 2r5hE1 LYS 454 HB2 0.05 0.11 0.09 -0.04 1.87 2.07 2r5hE1 LYS 454 HB3 0.01 -0.20 0.04 -0.04 1.79 1.61 2r5hE1 LYS 454 HG2 0.05 -0.10 -0.27 -0.04 1.46 1.09 2r5hE1 LYS 454 HG3 0.02 -0.09 -0.05 -0.04 1.46 1.29 2r5hE1 LYS 454 HD2 0.07 0.19 -0.07 -0.04 1.69 1.83 2r5hE1 LYS 454 HD3 0.06 -0.03 -0.11 -0.04 1.68 1.56 2r5hE1 LYS 454 HE2 0.04 -0.13 -0.09 -0.04 2.99 2.78 2r5hE1 LYS 454 HE3 0.04 0.10 -0.05 -0.04 2.99 3.05 2r5hE1 PHE 455 H 0.43 0.12 0.12 -0.55 8.34 8.45 2r5hE1 PHE 455 HA 0.01 0.18 0.61 -0.75 4.62 4.67 2r5hE1 PHE 455 HB2 -0.33 0.03 0.12 -0.04 3.15 2.93 2r5hE1 PHE 455 HB3 -0.11 -0.02 -0.09 -0.04 3.06 2.79 2r5hE1 PHE 455 HD2 -0.60 0.05 -0.05 -0.04 7.28 6.64 2r5hE1 PHE 455 HE2 -1.64 -0.04 -0.13 -0.04 7.38 5.53 2r5hE1 PHE 455 HZ -1.72 -0.01 -0.11 -0.04 7.32 5.43 2r5hE1 SER 456 H 0.22 0.64 0.45 -0.55 8.46 9.23 2r5hE1 SER 456 HA 0.37 0.19 0.79 -0.75 4.49 5.09 2r5hE1 SER 456 HB2 0.34 0.16 -0.10 -0.04 3.95 4.31 2r5hE1 SER 456 HB3 0.46 -0.03 -0.00 -0.04 3.93 4.32 2r5hE1 ALA 457 H 0.11 0.11 0.15 -0.55 8.40 8.23 2r5hE1 ALA 457 HA -0.94 0.23 0.47 -0.75 4.34 3.35 2r5hE1 ALA 457 HB3 -0.13 -0.05 0.16 -0.04 1.41 1.35 2r5hE1 ASP 458 H 0.03 0.05 0.10 -0.55 8.40 8.03 2r5hE1 ASP 458 HA 0.03 0.03 0.53 -0.75 4.63 4.47 2r5hE1 ASP 458 HB2 -0.01 -0.02 0.06 -0.04 2.71 2.70 2r5hE1 ASP 458 HB3 0.01 0.06 0.14 -0.04 2.70 2.87 2r5hE1 LEU 459 H 0.08 0.28 0.29 -0.55 8.37 8.47 2r5hE1 LEU 459 HA 0.25 0.14 0.63 -0.75 4.35 4.61 2r5hE1 LEU 459 HB2 0.10 0.02 -0.13 -0.04 1.64 1.60 2r5hE1 LEU 459 HB3 0.21 -0.15 0.13 -0.04 1.64 1.78 2r5hE1 LEU 459 HG 0.15 0.09 0.11 -0.04 1.64 1.95 2r5hE1 LEU 459 HD13 0.28 -0.01 -0.09 -0.04 0.93 1.07 2r5hE1 LEU 459 HD23 0.23 -0.01 -0.27 -0.04 0.89 0.79 2r5hE1 ASP 460 H 0.01 0.04 -0.20 -0.55 8.40 7.71 2r5hE1 ASP 460 HA -0.01 0.06 0.26 -0.75 4.63 4.19 2r5hE1 ASP 460 HB2 -0.04 0.02 -0.05 -0.04 2.71 2.60 2r5hE1 ASP 460 HB3 -0.03 0.05 0.10 -0.04 2.70 2.78 2r5hE1 GLN 461 H -0.13 0.17 -1.03 -0.55 8.47 6.94 2r5hE1 GLN 461 HA -0.19 0.17 0.67 -0.75 4.36 4.26 2r5hE1 GLN 461 HB2 -0.70 0.07 0.01 -0.04 2.15 1.48 2r5hE1 GLN 461 HB3 -0.40 -0.00 0.11 -0.04 2.02 1.69 2r5hE1 GLN 461 HG2 -0.14 -0.17 -0.28 -0.04 2.40 1.78 2r5hE1 GLN 461 HG3 -0.17 -0.00 -0.05 -0.04 2.39 2.13 2r5hE1 GLN 461 HE21 -0.06 0.01 -0.06 -0.04 6.97 6.82 2r5hE1 GLN 461 HE22 -0.06 -0.05 -0.07 -0.04 7.69 7.47 2r5hE1 PHE 462 H -0.02 0.38 -0.14 -0.55 8.34 8.00 2r5hE1 PHE 462 HA -0.10 0.30 1.03 -0.75 4.62 5.10 2r5hE1 PHE 462 HB2 -0.33 -0.17 0.02 -0.04 3.15 2.63 2r5hE1 PHE 462 HB3 -0.25 -0.02 -0.03 -0.04 3.06 2.72 2r5hE1 PHE 462 HD2 -0.29 0.00 -0.02 -0.04 7.28 6.93 2r5hE1 PHE 462 HE2 -0.08 -0.00 -0.07 -0.04 7.38 7.18 2r5hE1 PHE 462 HZ -0.03 0.05 -0.06 -0.04 7.32 7.24 2r5hE1 PRO 463 HA 0.05 0.10 0.39 -0.51 4.44 4.48 2r5hE1 PRO 463 HB2 0.02 0.04 -0.01 -0.04 2.28 2.29 2r5hE1 PRO 463 HB3 0.03 0.07 0.07 -0.04 2.02 2.16 2r5hE1 PRO 463 HG2 0.12 -0.08 0.09 -0.04 2.03 2.12 2r5hE1 PRO 463 HG3 0.07 0.12 0.07 -0.04 2.03 2.25 2r5hE1 PRO 463 HD2 0.26 0.13 0.23 -0.04 3.68 4.26 2r5hE1 PRO 463 HD3 0.09 0.18 0.16 -0.04 3.65 4.04 2r5hE1 LEU 464 H 0.07 0.15 -0.08 -0.55 8.37 7.97 2r5hE1 LEU 464 HA 0.02 0.07 0.42 -0.75 4.35 4.11 2r5hE1 LEU 464 HB2 0.03 0.02 -0.01 -0.04 1.64 1.64 2r5hE1 LEU 464 HB3 0.15 0.03 -0.22 -0.04 1.64 1.57 2r5hE1 LEU 464 HG -0.20 0.01 -0.13 -0.04 1.64 1.28 2r5hE1 LEU 464 HD13 -0.33 -0.03 -0.48 -0.04 0.93 0.06 2r5hE1 LEU 464 HD23 -0.07 -0.00 -0.19 -0.04 0.89 0.58 2r5hE1 GLY 465 H 0.32 0.07 -0.26 -0.55 8.43 8.01 2r5hE1 GLY 465 HA2 0.30 0.01 0.50 -0.51 4.01 4.31 2r5hE1 GLY 465 HA3 0.21 0.01 0.35 -0.51 4.01 4.07 2r5hE1 ARG 466 H 0.10 0.40 -0.01 -0.55 8.46 8.39 2r5hE1 ARG 466 HA 0.02 -0.09 0.22 -0.75 4.34 3.74 2r5hE1 ARG 466 HB2 0.05 0.19 0.05 -0.04 1.90 2.14 2r5hE1 ARG 466 HB3 0.02 -0.06 -0.07 -0.04 1.80 1.65 2r5hE1 ARG 466 HG2 -0.00 -0.04 -0.01 -0.04 1.67 1.58 2r5hE1 ARG 466 HG3 0.02 0.03 -0.06 -0.04 1.67 1.63 2r5hE1 ARG 466 HD2 0.00 -0.04 -0.09 -0.04 3.22 3.05 2r5hE1 ARG 466 HD3 -0.02 0.01 -0.12 -0.04 3.22 3.05 2r5hE1 LYS 467 H 0.14 0.39 -0.47 -0.55 8.42 7.92 2r5hE1 LYS 467 HA 0.11 0.04 0.56 -0.75 4.32 4.28 2r5hE1 LYS 467 HB2 0.21 0.05 0.20 -0.04 1.87 2.29 2r5hE1 LYS 467 HB3 0.34 -0.05 -0.03 -0.04 1.79 2.01 2r5hE1 LYS 467 HG2 0.06 -0.02 -0.02 -0.04 1.46 1.44 2r5hE1 LYS 467 HG3 0.05 0.07 -0.05 -0.04 1.46 1.49 2r5hE1 LYS 467 HD2 -0.07 -0.05 -0.11 -0.04 1.69 1.42 2r5hE1 LYS 467 HD3 -0.04 -0.00 -0.05 -0.04 1.68 1.55 2r5hE1 LYS 467 HE2 -0.02 -0.01 -0.05 -0.04 2.99 2.87 2r5hE1 LYS 467 HE3 -0.03 -0.03 -0.10 -0.04 2.99 2.78 2r5hE1 PHE 468 H 0.48 0.78 0.20 -0.55 8.34 9.25 2r5hE1 PHE 468 HA -0.40 -0.07 0.22 -0.75 4.62 3.61 2r5hE1 PHE 468 HB2 0.40 -0.06 0.03 -0.04 3.15 3.47 2r5hE1 PHE 468 HB3 0.07 0.04 0.13 -0.04 3.06 3.26 2r5hE1 PHE 468 HD2 -0.74 -0.02 -0.04 -0.04 7.28 6.44 2r5hE1 PHE 468 HE2 -0.79 -0.00 -0.07 -0.04 7.38 6.48 2r5hE1 PHE 468 HZ -0.83 0.04 -0.07 -0.04 7.32 6.42 2r5hE1 LEU 469 H -0.08 0.44 -0.52 -0.55 8.37 7.67 2r5hE1 LEU 469 HA -0.58 -0.01 0.22 -0.75 4.35 3.22 2r5hE1 LEU 469 HB2 -0.09 -0.02 -0.17 -0.04 1.64 1.32 2r5hE1 LEU 469 HB3 -0.11 0.12 -0.06 -0.04 1.64 1.55 2r5hE1 LEU 469 HG -0.12 0.01 -0.08 -0.04 1.64 1.41 2r5hE1 LEU 469 HD13 -0.06 -0.03 -0.11 -0.04 0.93 0.69 2r5hE1 LEU 469 HD23 -0.04 -0.01 -0.11 -0.04 0.89 0.69 2r5hE1 LEU 470 H -0.08 0.55 -0.10 -0.55 8.37 8.19 2r5hE1 LEU 470 HA -0.14 0.06 0.71 -0.75 4.35 4.24 2r5hE1 LEU 470 HB2 -0.04 0.20 0.28 -0.04 1.64 2.04 2r5hE1 LEU 470 HB3 -0.02 0.02 0.07 -0.04 1.64 1.68 2r5hE1 LEU 470 HG -0.04 -0.07 0.08 -0.04 1.64 1.57 2r5hE1 LEU 470 HD13 -0.01 -0.02 0.03 -0.04 0.93 0.89 2r5hE1 LEU 470 HD23 -0.03 -0.01 0.12 -0.04 0.89 0.93 2r5hE1 GLN 471 H -0.33 0.26 -0.91 -0.55 8.47 6.94 2r5hE1 GLN 471 HA -0.20 0.06 0.61 -0.75 4.36 4.08 2r5hE1 GLN 471 HB2 -0.17 0.06 -0.15 -0.04 2.15 1.84 2r5hE1 GLN 471 HB3 -0.72 -0.11 0.12 -0.04 2.02 1.27 2r5hE1 GLN 471 HG2 -0.15 0.02 0.03 -0.04 2.40 2.26 2r5hE1 GLN 471 HG3 -0.37 -0.04 -0.05 -0.04 2.39 1.89 2r5hE1 GLN 471 HE21 -0.20 0.01 -0.21 -0.04 6.97 6.54 2r5hE1 GLN 471 HE22 -0.15 -0.00 -0.08 -0.04 7.69 7.42 2r5hE1 LEU 472 H -0.68 0.16 0.05 -0.55 8.37 7.36 2r5hE1 LEU 472 HA -0.29 -0.02 0.18 -0.75 4.35 3.46 2r5hE1 LEU 472 HB2 -0.55 0.06 -0.12 -0.04 1.64 0.99 2r5hE1 LEU 472 HB3 -0.25 0.09 0.09 -0.04 1.64 1.52 2r5hE1 LEU 472 HG -0.16 -0.03 0.02 -0.04 1.64 1.42 2r5hE1 LEU 472 HD13 -0.27 -0.00 -0.03 -0.04 0.93 0.59 2r5hE1 LEU 472 HD23 -0.04 -0.01 0.01 -0.04 0.89 0.81