============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 2 1.000 19.560 11.560 52.299 -99.200 -91.000 TRP 3 1.040 17.220 12.296 44.823 -99.200 -91.000 TRP6 3 1.020 18.150 12.192 42.665 -99.200 -91.000 HIS 11 0.900 36.155 17.391 50.049 -99.200 -91.000 TRP 22 1.040 21.601 9.741 37.432 -99.200 -91.000 TRP6 22 1.020 21.121 12.034 37.164 -99.200 -91.000 TYR 23 0.840 29.144 8.620 33.274 -99.200 -91.000 TRP 46 1.040 26.996 7.105 43.343 -99.200 -91.000 TRP6 46 1.020 26.642 8.437 41.413 -99.200 -91.000 PHE 53 1.000 42.533 16.688 33.263 -99.200 -91.000 TRP 59 1.040 47.664 23.539 30.448 -99.200 -91.000 TRP6 59 1.020 46.560 24.715 32.162 -99.200 -91.000 TRP 60 1.040 47.220 21.306 34.657 -99.200 -91.000 TRP6 60 1.020 46.779 19.120 35.396 -99.200 -91.000 TYR 63 0.840 49.775 29.729 33.477 -99.200 -91.000 TYR 67 0.840 50.996 19.907 38.883 -99.200 -91.000 TRP 72 1.040 42.721 20.217 44.944 -99.200 -91.000 TRP6 72 1.020 43.346 22.101 46.198 -99.200 -91.000 TYR 78 0.840 25.976 18.006 25.329 -99.200 -91.000 TYR 79 0.840 26.764 27.057 25.964 -99.200 -91.000 TYR 83 0.840 28.940 15.358 28.198 -99.200 -91.000 TRP 84 1.040 31.483 23.240 27.016 -99.200 -91.000 TRP6 84 1.020 33.248 23.798 25.578 -99.200 -91.000 TYR 86 0.840 34.796 26.055 32.740 -99.200 -91.000 TYR 87 0.840 41.286 20.942 34.961 -99.200 -91.000 PHE 92 1.000 46.057 18.990 49.853 -99.200 -91.000 TRP 112 1.040 37.295 13.996 29.735 -99.200 -91.000 TRP6 112 1.020 35.494 15.494 29.898 -99.200 -91.000 TYR 127 0.840 41.565 36.728 42.080 -99.200 -91.000 PHE 136 1.000 25.245 27.589 30.620 -99.200 -91.000 TRP 143 1.040 27.450 35.670 32.825 -99.200 -91.000 TRP6 143 1.020 28.201 37.757 33.644 -99.200 -91.000 PHE 146 1.000 37.569 32.854 40.036 -99.200 -91.000 PHE 149 1.000 39.227 29.700 53.971 -99.200 -91.000 TRP 150 1.040 44.106 34.686 50.347 -99.200 -91.000 TRP6 150 1.020 44.243 32.342 50.086 -99.200 -91.000 TYR 170 0.840 31.132 42.200 36.858 -99.200 -91.000 TYR 189 0.840 17.052 34.172 35.442 -99.200 -91.000 TYR 193 0.840 14.289 37.402 43.047 -99.200 -91.000 TYR 194 0.840 20.903 36.106 37.013 -99.200 -91.000 TYR 195 0.840 16.927 31.949 43.761 -99.200 -91.000 PHE 200 1.000 28.504 31.463 55.160 -99.200 -91.000 TYR 211 0.840 30.310 24.797 61.299 -99.200 -91.000 TYR 215 0.840 18.969 29.894 51.016 -99.200 -91.000 TYR 225 0.840 24.146 36.612 43.526 -99.200 -91.000 TRP 248 1.040 24.490 11.878 56.596 -99.200 -91.000 TRP6 248 1.020 26.234 10.734 55.498 -99.200 -91.000 HIS 265 0.900 32.120 18.195 50.493 -99.200 -91.000 TYR 267 0.840 33.854 16.131 55.467 -99.200 -91.000 TRP 284 1.040 14.780 26.246 42.496 -99.200 -91.000 TRP6 284 1.020 16.686 27.324 43.345 -99.200 -91.000 TRP 288 1.040 13.834 33.454 49.851 -99.200 -91.000 TRP6 288 1.020 15.807 34.729 49.579 -99.200 -91.000 TYR 291 0.840 18.499 20.165 51.535 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1uv4A1 ALA 3 HA 0.08 -0.06 0.21 -0.75 4.34 3.82 1uv4A1 ALA 3 HB3 0.09 0.00 -0.02 -0.04 1.41 1.44 1uv4A1 PHE 4 H 0.20 0.10 0.11 -0.55 8.34 8.20 1uv4A1 PHE 4 HA -0.07 0.14 0.75 -0.75 4.62 4.69 1uv4A1 PHE 4 HB2 -0.13 -0.01 0.07 -0.04 3.15 3.04 1uv4A1 PHE 4 HB3 -0.02 -0.02 0.16 -0.04 3.06 3.13 1uv4A1 PHE 4 HD2 -0.11 0.06 -0.04 -0.04 7.28 7.14 1uv4A1 PHE 4 HE2 -0.14 0.00 -0.10 -0.04 7.38 7.10 1uv4A1 PHE 4 HZ -0.24 0.00 -0.25 -0.04 7.32 6.79 1uv4A1 TRP 5 H 0.01 0.73 0.45 -0.55 7.97 8.62 1uv4A1 TRP 5 HA -0.24 0.04 0.41 -0.75 4.62 4.07 1uv4A1 TRP 5 HB2 -0.28 0.07 0.13 -0.04 3.23 3.11 1uv4A1 TRP 5 HB3 -0.23 -0.01 -0.05 -0.04 3.23 2.90 1uv4A1 TRP 5 HD1 -0.11 0.06 -0.19 -0.04 7.22 6.94 1uv4A1 TRP 5 HE1 -0.05 0.00 -0.09 -0.04 10.20 10.02 1uv4A1 TRP 5 HE3 -0.26 0.10 -0.10 -0.04 7.59 7.28 1uv4A1 TRP 5 HZ2 -0.03 0.01 -0.09 -0.04 7.44 7.29 1uv4A1 TRP 5 HZ3 -0.77 -0.07 -0.14 -0.04 7.13 6.11 1uv4A1 TRP 5 HH2 -0.24 -0.04 -0.12 -0.04 7.19 6.75 1uv4A1 GLY 6 H -1.18 0.15 0.10 -0.55 8.43 6.95 1uv4A1 GLY 6 HA2 -1.11 -0.03 0.22 -0.51 4.01 2.58 1uv4A1 GLY 6 HA3 -0.32 0.20 0.74 -0.51 4.01 4.12 1uv4A1 ALA 7 H -0.00 0.17 0.16 -0.55 8.40 8.18 1uv4A1 ALA 7 HA -0.11 0.35 0.95 -0.75 4.34 4.78 1uv4A1 ALA 7 HB3 -0.06 -0.02 -0.05 -0.04 1.41 1.24 1uv4A1 SER 8 H -0.00 0.50 0.23 -0.55 8.46 8.64 1uv4A1 SER 8 HA 0.25 0.21 0.50 -0.75 4.49 4.69 1uv4A1 SER 8 HB2 0.15 -0.21 0.10 -0.04 3.95 3.95 1uv4A1 SER 8 HB3 0.01 0.06 0.11 -0.04 3.93 4.06 1uv4A1 ASN 9 H 0.22 0.16 0.26 -0.55 8.53 8.63 1uv4A1 ASN 9 HA 0.13 0.11 0.64 -0.75 4.76 4.88 1uv4A1 ASN 9 HB2 0.10 0.01 0.09 -0.04 2.88 3.04 1uv4A1 ASN 9 HB3 0.11 0.03 0.18 -0.04 2.79 3.07 1uv4A1 ASN 9 HD21 0.15 0.28 0.19 -0.04 7.03 7.60 1uv4A1 ASN 9 HD22 0.10 0.01 0.06 -0.04 7.74 7.86 1uv4A1 GLU 10 H 0.15 -0.01 0.01 -0.55 8.60 8.21 1uv4A1 GLU 10 HA 0.07 0.08 0.43 -0.75 4.29 4.11 1uv4A1 GLU 10 HB2 0.06 -0.07 -0.03 -0.04 2.09 2.00 1uv4A1 GLU 10 HB3 0.03 0.16 -0.09 -0.04 1.99 2.05 1uv4A1 GLU 10 HG2 0.14 -0.06 -0.02 -0.04 2.34 2.36 1uv4A1 GLU 10 HG3 0.15 -0.03 -0.17 -0.04 2.34 2.25 1uv4A1 LEU 11 H 0.03 0.05 0.13 -0.55 8.37 8.04 1uv4A1 LEU 11 HA 0.01 0.34 0.53 -0.75 4.35 4.47 1uv4A1 LEU 11 HB2 0.02 -0.01 0.12 -0.04 1.64 1.73 1uv4A1 LEU 11 HB3 0.01 -0.10 0.10 -0.04 1.64 1.62 1uv4A1 LEU 11 HG -0.02 0.19 0.04 -0.04 1.64 1.81 1uv4A1 LEU 11 HD13 0.00 -0.02 0.01 -0.04 0.93 0.87 1uv4A1 LEU 11 HD23 -0.01 -0.03 -0.31 -0.04 0.89 0.51 1uv4A1 LEU 12 H -0.04 0.59 0.16 -0.55 8.37 8.53 1uv4A1 LEU 12 HA -0.03 0.06 0.15 -0.75 4.35 3.77 1uv4A1 LEU 12 HB2 -0.18 0.05 -0.27 -0.04 1.64 1.20 1uv4A1 LEU 12 HB3 -0.14 -0.06 -0.20 -0.04 1.64 1.20 1uv4A1 LEU 12 HG -0.06 0.04 -0.33 -0.04 1.64 1.25 1uv4A1 LEU 12 HD13 -0.06 -0.01 -0.23 -0.04 0.93 0.59 1uv4A1 LEU 12 HD23 -0.27 -0.00 -0.32 -0.04 0.89 0.25 1uv4A1 HIS 13 H 0.05 0.26 0.04 -0.55 8.41 8.22 1uv4A1 HIS 13 HA -0.17 0.12 0.77 -0.75 4.63 4.60 1uv4A1 HIS 13 HB2 -0.15 0.01 -0.13 -0.04 3.26 2.95 1uv4A1 HIS 13 HB3 -0.08 0.02 0.03 -0.04 3.20 3.12 1uv4A1 HIS 13 HD2 -0.14 0.01 -0.06 -0.04 6.97 6.74 1uv4A1 HIS 13 HE1 -0.13 -0.04 -0.01 -0.04 7.75 7.54 1uv4A1 ASP 14 H 0.38 0.12 0.12 -0.55 8.40 8.47 1uv4A1 ASP 14 HA 0.04 0.07 0.44 -0.75 4.63 4.43 1uv4A1 ASP 14 HB2 -0.02 -0.11 0.32 -0.04 2.71 2.86 1uv4A1 ASP 14 HB3 0.01 0.10 0.23 -0.04 2.70 2.99 1uv4A1 PRO 15 HA -0.01 0.34 0.48 -0.51 4.44 4.74 1uv4A1 PRO 15 HB2 -0.09 -0.02 -0.22 -0.04 2.28 1.92 1uv4A1 PRO 15 HB3 -0.09 -0.08 -0.20 -0.04 2.02 1.61 1uv4A1 PRO 15 HG2 -0.06 0.14 -0.19 -0.04 2.03 1.88 1uv4A1 PRO 15 HG3 -0.08 -0.01 -0.41 -0.04 2.03 1.50 1uv4A1 PRO 15 HD2 -0.01 0.25 0.21 -0.04 3.68 4.08 1uv4A1 PRO 15 HD3 0.11 -0.07 -0.13 -0.04 3.65 3.51 1uv4A1 THR 16 H 0.01 0.56 0.39 -0.55 8.28 8.69 1uv4A1 THR 16 HA 0.06 0.09 0.47 -0.75 4.39 4.26 1uv4A1 THR 16 HB 0.09 0.37 0.02 -0.04 4.32 4.75 1uv4A1 THR 16 HG23 0.11 -0.04 -0.26 -0.04 1.22 0.99 1uv4A1 MET 17 H 0.15 0.31 0.20 -0.55 8.47 8.58 1uv4A1 MET 17 HA 0.22 0.33 1.12 -0.75 4.52 5.43 1uv4A1 MET 17 HB2 0.04 0.02 -0.32 -0.04 2.15 1.85 1uv4A1 MET 17 HB3 0.12 -0.04 -0.09 -0.04 2.03 1.97 1uv4A1 MET 17 HG2 0.55 -0.06 -0.27 -0.04 2.63 2.80 1uv4A1 MET 17 HG3 0.46 0.08 -0.16 -0.04 2.56 2.89 1uv4A1 MET 17 HE3 -0.54 -0.01 -0.19 -0.04 2.10 1.32 1uv4A1 ILE 18 H 0.47 0.65 0.35 -0.55 8.25 9.17 1uv4A1 ILE 18 HA 0.42 0.05 0.63 -0.75 4.18 4.52 1uv4A1 ILE 18 HB 0.32 0.13 -0.22 -0.04 1.89 2.08 1uv4A1 ILE 18 HG12 0.31 0.16 -0.04 -0.04 1.49 1.89 1uv4A1 ILE 18 HG13 0.30 -0.04 0.17 -0.04 1.21 1.60 1uv4A1 ILE 18 HG23 0.26 -0.01 -0.18 -0.04 0.93 0.96 1uv4A1 ILE 18 HD13 0.46 -0.00 -0.10 -0.04 0.88 1.20 1uv4A1 LYS 19 H 0.12 0.14 0.16 -0.55 8.42 8.28 1uv4A1 LYS 19 HA -0.34 0.19 0.87 -0.75 4.32 4.28 1uv4A1 LYS 19 HB2 -1.18 -0.02 0.04 -0.04 1.87 0.66 1uv4A1 LYS 19 HB3 -0.27 -0.05 0.10 -0.04 1.79 1.52 1uv4A1 LYS 19 HG2 -0.45 -0.04 -0.08 -0.04 1.46 0.85 1uv4A1 LYS 19 HG3 -0.39 0.06 -0.23 -0.04 1.46 0.86 1uv4A1 LYS 19 HD2 -1.83 -0.01 -0.24 -0.04 1.69 -0.43 1uv4A1 LYS 19 HD3 -1.83 -0.05 -0.14 -0.04 1.68 -0.38 1uv4A1 LYS 19 HE2 -0.43 0.10 -0.39 -0.04 2.99 2.23 1uv4A1 LYS 19 HE3 -0.64 -0.04 -0.34 -0.04 2.99 1.93 1uv4A1 GLU 20 H 0.02 0.76 0.15 -0.55 8.60 8.99 1uv4A1 GLU 20 HA 0.03 0.11 0.64 -0.75 4.29 4.31 1uv4A1 GLU 20 HB2 0.11 0.04 -0.07 -0.04 2.09 2.14 1uv4A1 GLU 20 HB3 0.25 -0.01 0.07 -0.04 1.99 2.27 1uv4A1 GLU 20 HG2 0.07 0.01 -0.17 -0.04 2.34 2.20 1uv4A1 GLU 20 HG3 0.10 0.07 0.05 -0.04 2.34 2.52 1uv4A1 GLY 21 H -0.05 0.15 0.06 -0.55 8.43 8.04 1uv4A1 GLY 21 HA2 -0.05 0.06 0.34 -0.51 4.01 3.85 1uv4A1 GLY 21 HA3 -0.02 0.01 0.38 -0.51 4.01 3.87 1uv4A1 SER 22 H -0.03 0.11 0.22 -0.55 8.46 8.20 1uv4A1 SER 22 HA -0.10 0.15 0.55 -0.75 4.49 4.34 1uv4A1 SER 22 HB2 -0.05 0.03 0.20 -0.04 3.95 4.09 1uv4A1 SER 22 HB3 -0.04 -0.03 0.11 -0.04 3.93 3.93 1uv4A1 SER 23 H -0.08 0.38 -0.28 -0.55 8.46 7.94 1uv4A1 SER 23 HA -0.11 0.26 1.16 -0.75 4.49 5.04 1uv4A1 SER 23 HB2 -0.10 -0.02 -0.01 -0.04 3.95 3.78 1uv4A1 SER 23 HB3 -0.32 0.08 0.06 -0.04 3.93 3.70 1uv4A1 TRP 24 H 0.08 0.54 0.32 -0.55 7.97 8.36 1uv4A1 TRP 24 HA 0.15 0.19 0.92 -0.75 4.62 5.12 1uv4A1 TRP 24 HB2 -0.14 -0.16 -0.01 -0.04 3.23 2.88 1uv4A1 TRP 24 HB3 0.36 0.07 -0.15 -0.04 3.23 3.47 1uv4A1 TRP 24 HD1 -0.10 -0.10 -0.35 -0.04 7.22 6.62 1uv4A1 TRP 24 HE1 0.03 0.06 -0.21 -0.04 10.20 10.04 1uv4A1 TRP 24 HE3 0.25 0.05 -0.36 -0.04 7.59 7.49 1uv4A1 TRP 24 HZ2 0.22 0.03 -0.12 -0.04 7.44 7.52 1uv4A1 TRP 24 HZ3 0.19 -0.03 -0.22 -0.04 7.13 7.04 1uv4A1 TRP 24 HH2 0.23 0.01 -0.12 -0.04 7.19 7.27 1uv4A1 TYR 25 H 0.58 0.72 0.32 -0.55 8.29 9.36 1uv4A1 TYR 25 HA 0.42 0.34 1.02 -0.75 4.56 5.58 1uv4A1 TYR 25 HB2 0.18 -0.04 0.06 -0.04 3.06 3.23 1uv4A1 TYR 25 HB3 0.17 0.05 -0.05 -0.04 2.98 3.11 1uv4A1 TYR 25 HD2 0.12 0.07 -0.17 -0.04 7.15 7.14 1uv4A1 TYR 25 HE2 0.06 0.05 -0.12 -0.04 6.85 6.80 1uv4A1 ALA 26 H 0.25 0.52 0.19 -0.55 8.40 8.81 1uv4A1 ALA 26 HA 0.06 0.33 1.06 -0.75 4.34 5.03 1uv4A1 ALA 26 HB3 -0.63 -0.02 -0.05 -0.04 1.41 0.66 1uv4A1 LEU 27 H 0.04 0.58 0.25 -0.55 8.37 8.70 1uv4A1 LEU 27 HA 0.02 0.32 1.12 -0.75 4.35 5.04 1uv4A1 LEU 27 HB2 0.05 -0.03 -0.05 -0.04 1.64 1.57 1uv4A1 LEU 27 HB3 0.00 0.06 0.02 -0.04 1.64 1.68 1uv4A1 LEU 27 HG 0.06 0.03 -0.17 -0.04 1.64 1.53 1uv4A1 LEU 27 HD13 0.14 -0.06 -0.35 -0.04 0.93 0.62 1uv4A1 LEU 27 HD23 -0.08 -0.01 -0.17 -0.04 0.89 0.59 1uv4A1 GLY 28 H 0.01 0.59 0.27 -0.55 8.43 8.76 1uv4A1 GLY 28 HA2 0.03 0.34 0.60 -0.51 4.01 4.47 1uv4A1 GLY 28 HA3 0.01 -0.05 0.24 -0.51 4.01 3.70 1uv4A1 THR 29 H 0.06 0.51 0.31 -0.55 8.28 8.61 1uv4A1 THR 29 HA 0.17 0.09 0.76 -0.75 4.39 4.66 1uv4A1 THR 29 HB 0.11 -0.05 0.12 -0.04 4.32 4.46 1uv4A1 THR 29 HG23 0.11 0.11 -0.06 -0.04 1.22 1.34 1uv4A1 GLY 30 H 0.18 0.58 0.43 -0.55 8.43 9.07 1uv4A1 GLY 30 HA2 0.09 -0.15 0.39 -0.51 4.01 3.82 1uv4A1 GLY 30 HA3 0.13 0.32 0.25 -0.51 4.01 4.20 1uv4A1 LEU 31 H 0.07 0.05 0.03 -0.55 8.37 7.98 1uv4A1 LEU 31 HA 0.06 0.07 0.56 -0.75 4.35 4.29 1uv4A1 LEU 31 HB2 0.06 -0.01 -0.01 -0.04 1.64 1.64 1uv4A1 LEU 31 HB3 0.05 -0.07 0.04 -0.04 1.64 1.62 1uv4A1 LEU 31 HG 0.05 0.01 0.04 -0.04 1.64 1.70 1uv4A1 LEU 31 HD13 0.04 0.00 -0.02 -0.04 0.93 0.92 1uv4A1 LEU 31 HD23 0.03 0.03 -0.03 -0.04 0.89 0.88 1uv4A1 THR 32 H 0.07 0.12 0.14 -0.55 8.28 8.06 1uv4A1 THR 32 HA 0.20 0.15 0.30 -0.75 4.39 4.29 1uv4A1 THR 32 HB 0.08 -0.05 0.12 -0.04 4.32 4.43 1uv4A1 THR 32 HG23 0.26 0.00 -0.03 -0.04 1.22 1.42 1uv4A1 GLU 33 H 0.07 0.00 -0.27 -0.55 8.60 7.86 1uv4A1 GLU 33 HA 0.08 0.13 0.44 -0.75 4.29 4.19 1uv4A1 GLU 33 HB2 0.05 0.02 0.12 -0.04 2.09 2.24 1uv4A1 GLU 33 HB3 0.05 -0.04 0.05 -0.04 1.99 2.00 1uv4A1 GLU 33 HG2 0.05 0.01 -0.25 -0.04 2.34 2.11 1uv4A1 GLU 33 HG3 0.04 0.01 -0.07 -0.04 2.34 2.28 1uv4A1 GLU 34 H 0.09 0.57 -0.61 -0.55 8.60 8.10 1uv4A1 GLU 34 HA 0.07 0.14 0.84 -0.75 4.29 4.59 1uv4A1 GLU 34 HB2 0.08 -0.03 -0.13 -0.04 2.09 1.96 1uv4A1 GLU 34 HB3 0.07 0.05 0.03 -0.04 1.99 2.10 1uv4A1 GLU 34 HG2 0.05 0.08 -0.07 -0.04 2.34 2.36 1uv4A1 GLU 34 HG3 0.06 -0.16 -0.49 -0.04 2.34 1.71 1uv4A1 ARG 35 H 0.08 0.07 0.11 -0.55 8.46 8.18 1uv4A1 ARG 35 HA 0.14 0.32 0.54 -0.75 4.34 4.58 1uv4A1 ARG 35 HB2 0.10 -0.07 0.13 -0.04 1.90 2.02 1uv4A1 ARG 35 HB3 0.15 0.14 0.01 -0.04 1.80 2.06 1uv4A1 ARG 35 HG2 0.12 0.02 -0.01 -0.04 1.67 1.76 1uv4A1 ARG 35 HG3 0.08 -0.11 0.03 -0.04 1.67 1.63 1uv4A1 ARG 35 HD2 0.08 0.22 0.11 -0.04 3.22 3.58 1uv4A1 ARG 35 HD3 0.11 -0.02 0.01 -0.04 3.22 3.27 1uv4A1 GLY 36 H 0.16 0.35 0.37 -0.55 8.43 8.77 1uv4A1 GLY 36 HA2 0.24 -0.04 0.37 -0.51 4.01 4.06 1uv4A1 GLY 36 HA3 0.14 0.23 0.33 -0.51 4.01 4.21 1uv4A1 LEU 37 H 0.01 0.61 0.31 -0.55 8.37 8.74 1uv4A1 LEU 37 HA 0.06 0.15 0.91 -0.75 4.35 4.72 1uv4A1 LEU 37 HB2 -0.18 -0.12 0.06 -0.04 1.64 1.35 1uv4A1 LEU 37 HB3 -0.05 0.13 -0.05 -0.04 1.64 1.64 1uv4A1 LEU 37 HG 0.05 -0.09 -0.27 -0.04 1.64 1.29 1uv4A1 LEU 37 HD13 -0.22 -0.02 -0.17 -0.04 0.93 0.48 1uv4A1 LEU 37 HD23 0.11 0.04 -0.24 -0.04 0.89 0.75 1uv4A1 ARG 38 H 0.04 0.48 -0.05 -0.55 8.46 8.38 1uv4A1 ARG 38 HA 0.03 0.04 0.51 -0.75 4.34 4.17 1uv4A1 ARG 38 HB2 0.05 -0.03 -0.04 -0.04 1.90 1.83 1uv4A1 ARG 38 HB3 0.03 -0.00 -0.10 -0.04 1.80 1.68 1uv4A1 ARG 38 HG2 0.00 -0.02 -0.29 -0.04 1.67 1.32 1uv4A1 ARG 38 HG3 0.03 -0.03 -0.04 -0.04 1.67 1.59 1uv4A1 ARG 38 HD2 0.03 -0.11 -0.05 -0.04 3.22 3.05 1uv4A1 ARG 38 HD3 0.02 0.05 -0.11 -0.04 3.22 3.14 1uv4A1 VAL 39 H 0.05 0.25 0.16 -0.55 8.24 8.14 1uv4A1 VAL 39 HA 0.07 0.25 1.00 -0.75 4.13 4.70 1uv4A1 VAL 39 HB 0.09 0.06 -0.05 -0.04 2.12 2.19 1uv4A1 VAL 39 HG13 0.22 -0.01 -0.20 -0.04 0.97 0.94 1uv4A1 VAL 39 HG23 0.01 0.02 -0.21 -0.04 0.95 0.72 1uv4A1 LEU 40 H 0.09 0.81 0.35 -0.55 8.37 9.08 1uv4A1 LEU 40 HA 0.18 0.26 1.02 -0.75 4.35 5.05 1uv4A1 LEU 40 HB2 -0.22 -0.05 0.02 -0.04 1.64 1.35 1uv4A1 LEU 40 HB3 0.25 -0.08 -0.06 -0.04 1.64 1.71 1uv4A1 LEU 40 HG -0.10 0.04 -0.28 -0.04 1.64 1.25 1uv4A1 LEU 40 HD13 -0.40 0.01 -0.22 -0.04 0.93 0.28 1uv4A1 LEU 40 HD23 0.05 0.03 -0.25 -0.04 0.89 0.68 1uv4A1 LYS 41 H 0.31 0.54 0.37 -0.55 8.42 9.08 1uv4A1 LYS 41 HA 0.06 0.36 1.04 -0.75 4.32 5.02 1uv4A1 LYS 41 HB2 0.06 0.02 -0.09 -0.04 1.87 1.82 1uv4A1 LYS 41 HB3 0.06 -0.03 0.08 -0.04 1.79 1.86 1uv4A1 LYS 41 HG2 -0.16 -0.04 -0.14 -0.04 1.46 1.08 1uv4A1 LYS 41 HG3 -0.70 0.06 0.02 -0.04 1.46 0.80 1uv4A1 LYS 41 HD2 0.13 0.02 -0.07 -0.04 1.69 1.73 1uv4A1 LYS 41 HD3 0.03 -0.02 -0.08 -0.04 1.68 1.57 1uv4A1 LYS 41 HE2 -0.04 -0.02 -0.09 -0.04 2.99 2.80 1uv4A1 LYS 41 HE3 0.01 -0.01 -0.06 -0.04 2.99 2.88 1uv4A1 SER 42 H -0.14 0.64 0.36 -0.55 8.46 8.78 1uv4A1 SER 42 HA -0.22 0.17 0.60 -0.75 4.49 4.28 1uv4A1 SER 42 HB2 -0.74 -0.10 0.17 -0.04 3.95 3.23 1uv4A1 SER 42 HB3 -1.18 0.11 -0.30 -0.04 3.93 2.52 1uv4A1 SER 43 H -0.18 0.21 0.24 -0.55 8.46 8.18 1uv4A1 SER 43 HA -0.05 0.31 1.01 -0.75 4.49 5.00 1uv4A1 SER 43 HB2 -0.05 0.08 0.17 -0.04 3.95 4.11 1uv4A1 SER 43 HB3 -0.07 -0.00 0.11 -0.04 3.93 3.93 1uv4A1 ASP 44 H -0.27 -0.03 0.09 -0.55 8.40 7.64 1uv4A1 ASP 44 HA -0.06 0.32 0.82 -0.75 4.63 4.96 1uv4A1 ASP 44 HB2 -0.14 0.11 0.13 -0.04 2.71 2.76 1uv4A1 ASP 44 HB3 -0.11 0.06 -0.07 -0.04 2.70 2.53 1uv4A1 ALA 45 H -0.35 0.05 -0.23 -0.55 8.40 7.32 1uv4A1 ALA 45 HA -0.98 -0.01 0.06 -0.75 4.34 2.66 1uv4A1 ALA 45 HB3 -0.39 0.06 -0.09 -0.04 1.41 0.94 1uv4A1 LYS 46 H -0.55 -0.24 -0.49 -0.55 8.42 6.58 1uv4A1 LYS 46 HA 0.13 0.25 0.67 -0.75 4.32 4.62 1uv4A1 LYS 46 HB2 -0.14 -0.11 -0.06 -0.04 1.87 1.52 1uv4A1 LYS 46 HB3 -0.04 0.01 -0.11 -0.04 1.79 1.61 1uv4A1 LYS 46 HG2 -0.03 0.07 -0.21 -0.04 1.46 1.24 1uv4A1 LYS 46 HG3 -0.01 0.06 -0.69 -0.04 1.46 0.77 1uv4A1 LYS 46 HD2 -0.15 -0.07 -0.02 -0.04 1.69 1.41 1uv4A1 LYS 46 HD3 -0.12 -0.02 -0.01 -0.04 1.68 1.49 1uv4A1 LYS 46 HE2 -0.12 -0.03 -0.08 -0.04 2.99 2.73 1uv4A1 LYS 46 HE3 -0.31 0.06 -0.01 -0.04 2.99 2.68 1uv4A1 ASN 47 H -0.35 -0.01 0.05 -0.55 8.53 7.67 1uv4A1 ASN 47 HA 0.02 0.13 0.90 -0.75 4.76 5.06 1uv4A1 ASN 47 HB2 -0.13 -0.08 0.17 -0.04 2.88 2.80 1uv4A1 ASN 47 HB3 -0.04 0.08 0.02 -0.04 2.79 2.81 1uv4A1 ASN 47 HD21 -0.04 0.08 -0.06 -0.04 7.03 6.97 1uv4A1 ASN 47 HD22 -0.09 -0.07 0.01 -0.04 7.74 7.54 1uv4A1 TRP 48 H 0.25 0.18 0.19 -0.55 7.97 8.04 1uv4A1 TRP 48 HA 0.02 0.30 0.65 -0.75 4.62 4.83 1uv4A1 TRP 48 HB2 0.02 -0.06 -0.04 -0.04 3.23 3.11 1uv4A1 TRP 48 HB3 0.03 0.04 -0.11 -0.04 3.23 3.14 1uv4A1 TRP 48 HD1 0.00 0.03 -0.17 -0.04 7.22 7.04 1uv4A1 TRP 48 HE1 -0.03 0.24 -0.49 -0.04 10.20 9.88 1uv4A1 TRP 48 HE3 0.03 -0.02 -0.64 -0.04 7.59 6.92 1uv4A1 TRP 48 HZ2 -0.10 0.21 -0.27 -0.04 7.44 7.25 1uv4A1 TRP 48 HZ3 0.10 0.08 -0.55 -0.04 7.13 6.72 1uv4A1 TRP 48 HH2 0.06 0.02 -0.33 -0.04 7.19 6.90 1uv4A1 THR 49 H 0.23 0.60 0.41 -0.55 8.28 8.98 1uv4A1 THR 49 HA 0.13 0.13 0.90 -0.75 4.39 4.79 1uv4A1 THR 49 HB 0.08 0.04 0.07 -0.04 4.32 4.47 1uv4A1 THR 49 HG23 0.04 -0.00 -0.11 -0.04 1.22 1.12 1uv4A1 VAL 50 H 0.10 0.13 0.16 -0.55 8.24 8.08 1uv4A1 VAL 50 HA 0.11 0.16 0.62 -0.75 4.13 4.26 1uv4A1 VAL 50 HB 0.07 -0.05 0.17 -0.04 2.12 2.27 1uv4A1 VAL 50 HG13 0.06 0.03 -0.07 -0.04 0.97 0.96 1uv4A1 VAL 50 HG23 0.07 -0.01 0.01 -0.04 0.95 0.98 1uv4A1 GLN 51 H 0.11 0.75 0.39 -0.55 8.47 9.18 1uv4A1 GLN 51 HA 0.09 0.07 0.73 -0.75 4.36 4.49 1uv4A1 GLN 51 HB2 0.14 0.06 -0.09 -0.04 2.15 2.22 1uv4A1 GLN 51 HB3 0.13 -0.02 0.06 -0.04 2.02 2.15 1uv4A1 GLN 51 HG2 0.18 0.02 -0.18 -0.04 2.40 2.38 1uv4A1 GLN 51 HG3 0.27 -0.01 -0.20 -0.04 2.39 2.40 1uv4A1 GLN 51 HE21 0.11 -0.03 -0.06 -0.04 6.97 6.95 1uv4A1 GLN 51 HE22 0.17 0.05 -0.04 -0.04 7.69 7.83 1uv4A1 LYS 52 H 0.07 0.08 0.12 -0.55 8.42 8.14 1uv4A1 LYS 52 HA 0.05 -0.01 0.56 -0.75 4.32 4.17 1uv4A1 LYS 52 HB2 0.05 -0.04 0.15 -0.04 1.87 1.99 1uv4A1 LYS 52 HB3 0.06 0.03 0.06 -0.04 1.79 1.90 1uv4A1 LYS 52 HG2 0.04 0.21 -0.02 -0.04 1.46 1.64 1uv4A1 LYS 52 HG3 0.04 -0.06 0.11 -0.04 1.46 1.51 1uv4A1 LYS 52 HD2 0.04 -0.03 0.04 -0.04 1.69 1.70 1uv4A1 LYS 52 HD3 0.04 0.02 0.02 -0.04 1.68 1.72 1uv4A1 LYS 52 HE2 0.04 -0.01 0.02 -0.04 2.99 3.00 1uv4A1 LYS 52 HE3 0.04 -0.01 0.03 -0.04 2.99 3.00 1uv4A1 SER 53 H 0.04 0.02 0.19 -0.55 8.46 8.18 1uv4A1 SER 53 HA 0.01 0.10 0.47 -0.75 4.49 4.32 1uv4A1 SER 53 HB2 0.04 -0.10 0.01 -0.04 3.95 3.87 1uv4A1 SER 53 HB3 0.02 0.13 0.05 -0.04 3.93 4.10 1uv4A1 ILE 54 H -0.11 0.40 0.23 -0.55 8.25 8.22 1uv4A1 ILE 54 HA -0.21 0.09 0.70 -0.75 4.18 4.01 1uv4A1 ILE 54 HB -0.50 -0.00 0.06 -0.04 1.89 1.40 1uv4A1 ILE 54 HG12 -0.23 0.03 -0.07 -0.04 1.49 1.18 1uv4A1 ILE 54 HG13 -0.14 0.06 -0.12 -0.04 1.21 0.97 1uv4A1 ILE 54 HG23 -1.48 -0.00 -0.13 -0.04 0.93 -0.72 1uv4A1 ILE 54 HD13 -0.61 -0.00 -0.13 -0.04 0.88 0.10 1uv4A1 PHE 55 H -0.19 0.16 0.12 -0.55 8.34 7.87 1uv4A1 PHE 55 HA -0.03 0.11 0.29 -0.75 4.62 4.23 1uv4A1 PHE 55 HB2 0.05 0.06 0.15 -0.04 3.15 3.37 1uv4A1 PHE 55 HB3 0.16 0.03 0.07 -0.04 3.06 3.28 1uv4A1 PHE 55 HD2 -0.17 0.05 -0.07 -0.04 7.28 7.05 1uv4A1 PHE 55 HE2 -0.73 0.02 -0.15 -0.04 7.38 6.48 1uv4A1 PHE 55 HZ -0.18 0.01 -0.18 -0.04 7.32 6.93 1uv4A1 THR 56 H 0.06 0.13 -0.24 -0.55 8.28 7.69 1uv4A1 THR 56 HA 0.09 0.15 0.37 -0.75 4.39 4.24 1uv4A1 THR 56 HB 0.05 -0.01 0.04 -0.04 4.32 4.36 1uv4A1 THR 56 HG23 0.05 0.05 -0.04 -0.04 1.22 1.24 1uv4A1 THR 57 H 0.08 0.00 -0.29 -0.55 8.28 7.53 1uv4A1 THR 57 HA 0.03 0.21 0.78 -0.75 4.39 4.66 1uv4A1 THR 57 HB 0.01 -0.08 0.06 -0.04 4.32 4.26 1uv4A1 THR 57 HG23 -0.04 0.05 -0.04 -0.04 1.22 1.15 1uv4A1 PRO 58 HA -0.41 0.07 0.51 -0.51 4.44 4.10 1uv4A1 PRO 58 HB2 -0.08 0.05 -0.10 -0.04 2.28 2.11 1uv4A1 PRO 58 HB3 0.29 0.10 0.06 -0.04 2.02 2.43 1uv4A1 PRO 58 HG2 -0.01 -0.02 -0.02 -0.04 2.03 1.94 1uv4A1 PRO 58 HG3 0.13 0.08 0.03 -0.04 2.03 2.22 1uv4A1 PRO 58 HD2 -0.01 0.04 0.17 -0.04 3.68 3.84 1uv4A1 PRO 58 HD3 0.06 0.24 0.10 -0.04 3.65 4.01 1uv4A1 LEU 59 H -2.84 0.13 0.15 -0.55 8.37 5.26 1uv4A1 LEU 59 HA -0.66 0.14 0.70 -0.75 4.35 3.78 1uv4A1 LEU 59 HB2 -3.13 -0.01 0.12 -0.04 1.64 -1.42 1uv4A1 LEU 59 HB3 -1.07 -0.09 0.07 -0.04 1.64 0.52 1uv4A1 LEU 59 HG -1.36 0.05 0.02 -0.04 1.64 0.31 1uv4A1 LEU 59 HD13 -0.22 0.00 -0.01 -0.04 0.93 0.66 1uv4A1 LEU 59 HD23 -0.23 0.03 -0.04 -0.04 0.89 0.61 1uv4A1 SER 60 H -0.31 0.18 0.15 -0.55 8.46 7.94 1uv4A1 SER 60 HA -0.17 0.15 0.27 -0.75 4.49 3.98 1uv4A1 SER 60 HB2 -0.03 0.04 0.06 -0.04 3.95 3.98 1uv4A1 SER 60 HB3 -0.09 0.06 0.11 -0.04 3.93 3.97 1uv4A1 TRP 61 H -0.20 0.06 -0.24 -0.55 7.97 7.04 1uv4A1 TRP 61 HA -0.03 0.13 0.22 -0.75 4.62 4.19 1uv4A1 TRP 61 HB2 0.10 0.04 0.04 -0.04 3.23 3.37 1uv4A1 TRP 61 HB3 -0.01 0.02 0.04 -0.04 3.23 3.23 1uv4A1 TRP 61 HD1 -0.10 0.00 -0.00 -0.04 7.22 7.08 1uv4A1 TRP 61 HE1 0.02 -0.01 -0.01 -0.04 10.20 10.15 1uv4A1 TRP 61 HE3 0.47 -0.01 -0.38 -0.04 7.59 7.63 1uv4A1 TRP 61 HZ2 0.30 0.02 -0.14 -0.04 7.44 7.58 1uv4A1 TRP 61 HZ3 0.10 0.04 -0.16 -0.04 7.13 7.07 1uv4A1 TRP 61 HH2 0.00 0.07 -0.27 -0.04 7.19 6.95 1uv4A1 TRP 62 H -0.67 0.29 -0.44 -0.55 7.97 6.61 1uv4A1 TRP 62 HA -0.48 0.01 0.22 -0.75 4.62 3.62 1uv4A1 TRP 62 HB2 -0.73 0.15 0.06 -0.04 3.23 2.67 1uv4A1 TRP 62 HB3 -0.90 0.04 -0.01 -0.04 3.23 2.32 1uv4A1 TRP 62 HD1 -3.10 -0.05 -0.14 -0.04 7.22 3.89 1uv4A1 TRP 62 HE1 -0.72 -0.01 -0.08 -0.04 10.20 9.35 1uv4A1 TRP 62 HE3 -1.13 0.11 0.01 -0.04 7.59 6.53 1uv4A1 TRP 62 HZ2 -1.53 0.01 -0.06 -0.04 7.44 5.82 1uv4A1 TRP 62 HZ3 -0.30 0.15 0.04 -0.04 7.13 6.98 1uv4A1 TRP 62 HH2 -0.65 0.07 0.02 -0.04 7.19 6.59 1uv4A1 SER 63 H 0.14 0.29 -0.31 -0.55 8.46 8.04 1uv4A1 SER 63 HA 0.26 0.17 0.03 -0.75 4.49 4.19 1uv4A1 SER 63 HB2 0.09 0.04 0.08 -0.04 3.95 4.12 1uv4A1 SER 63 HB3 0.26 0.01 0.04 -0.04 3.93 4.20 1uv4A1 ASN 64 H 0.07 0.37 -0.44 -0.55 8.53 7.99 1uv4A1 ASN 64 HA -0.09 0.07 0.49 -0.75 4.76 4.47 1uv4A1 ASN 64 HB2 -0.38 0.12 0.01 -0.04 2.88 2.59 1uv4A1 ASN 64 HB3 -0.41 -0.04 0.03 -0.04 2.79 2.33 1uv4A1 ASN 64 HD21 0.04 -0.05 -0.03 -0.04 7.03 6.95 1uv4A1 ASN 64 HD22 0.03 -0.01 0.02 -0.04 7.74 7.73 1uv4A1 TYR 65 H 0.12 0.30 -0.28 -0.55 8.29 7.88 1uv4A1 TYR 65 HA 0.06 0.16 0.86 -0.75 4.56 4.88 1uv4A1 TYR 65 HB2 0.17 0.03 -0.00 -0.04 3.06 3.22 1uv4A1 TYR 65 HB3 0.06 -0.00 -0.01 -0.04 2.98 2.99 1uv4A1 TYR 65 HD2 0.33 0.03 -0.06 -0.04 7.15 7.41 1uv4A1 TYR 65 HE2 0.04 -0.04 -0.06 -0.04 6.85 6.74 1uv4A1 VAL 66 H 0.15 0.46 -0.03 -0.55 8.24 8.27 1uv4A1 VAL 66 HA 0.04 0.16 0.71 -0.75 4.13 4.28 1uv4A1 VAL 66 HB 0.01 -0.02 0.05 -0.04 2.12 2.12 1uv4A1 VAL 66 HG13 -0.06 0.01 -0.19 -0.04 0.97 0.69 1uv4A1 VAL 66 HG23 -0.06 0.03 -0.33 -0.04 0.95 0.55 1uv4A1 PRO 67 HA 0.06 0.12 0.37 -0.51 4.44 4.48 1uv4A1 PRO 67 HB2 -0.00 -0.02 -0.05 -0.04 2.28 2.17 1uv4A1 PRO 67 HB3 0.00 0.03 0.07 -0.04 2.02 2.09 1uv4A1 PRO 67 HG2 0.01 -0.03 0.00 -0.04 2.03 1.97 1uv4A1 PRO 67 HG3 0.01 0.07 -0.02 -0.04 2.03 2.04 1uv4A1 PRO 67 HD2 0.03 0.13 -0.05 -0.04 3.68 3.75 1uv4A1 PRO 67 HD3 0.04 0.14 -0.53 -0.04 3.65 3.26 1uv4A1 ASN 68 H -0.00 0.08 -0.40 -0.55 8.53 7.66 1uv4A1 ASN 68 HA -0.15 0.28 1.02 -0.75 4.76 5.16 1uv4A1 ASN 68 HB2 -0.03 -0.06 0.04 -0.04 2.88 2.79 1uv4A1 ASN 68 HB3 -0.06 -0.00 0.13 -0.04 2.79 2.82 1uv4A1 ASN 68 HD21 -0.05 -0.04 -0.02 -0.04 7.03 6.87 1uv4A1 ASN 68 HD22 -0.08 0.01 0.02 -0.04 7.74 7.66 1uv4A1 TYR 69 H -0.06 0.35 -0.34 -0.55 8.29 7.69 1uv4A1 TYR 69 HA -0.17 -0.02 0.21 -0.75 4.56 3.82 1uv4A1 TYR 69 HB2 -0.29 0.05 0.06 -0.04 3.06 2.84 1uv4A1 TYR 69 HB3 -0.18 0.01 0.00 -0.04 2.98 2.77 1uv4A1 TYR 69 HD2 -0.05 0.41 -0.24 -0.04 7.15 7.23 1uv4A1 TYR 69 HE2 0.12 -0.05 -0.11 -0.04 6.85 6.76 1uv4A1 GLY 70 H -0.11 0.50 0.47 -0.55 8.43 8.74 1uv4A1 GLY 70 HA2 -0.06 0.03 0.69 -0.51 4.01 4.17 1uv4A1 GLY 70 HA3 -0.10 -0.04 0.43 -0.51 4.01 3.79 1uv4A1 GLN 71 H 0.05 0.09 0.19 -0.55 8.47 8.26 1uv4A1 GLN 71 HA 0.19 0.05 0.02 -0.75 4.36 3.86 1uv4A1 GLN 71 HB2 0.11 -0.07 -0.04 -0.04 2.15 2.12 1uv4A1 GLN 71 HB3 0.06 -0.03 0.06 -0.04 2.02 2.07 1uv4A1 GLN 71 HG2 0.09 -0.06 0.12 -0.04 2.40 2.51 1uv4A1 GLN 71 HG3 0.11 0.38 -0.30 -0.04 2.39 2.54 1uv4A1 GLN 71 HE21 0.06 -0.01 -0.13 -0.04 6.97 6.85 1uv4A1 GLN 71 HE22 0.09 0.33 0.10 -0.04 7.69 8.17 1uv4A1 ASN 72 H 0.15 -0.04 -0.11 -0.55 8.53 7.99 1uv4A1 ASN 72 HA 0.15 0.01 0.81 -0.75 4.76 4.97 1uv4A1 ASN 72 HB2 0.22 -0.03 -0.07 -0.04 2.88 2.95 1uv4A1 ASN 72 HB3 0.18 0.31 -0.05 -0.04 2.79 3.19 1uv4A1 ASN 72 HD21 0.27 -0.17 -0.11 -0.04 7.03 6.98 1uv4A1 ASN 72 HD22 0.21 0.48 -0.19 -0.04 7.74 8.20 1uv4A1 GLN 73 H 0.11 0.39 0.33 -0.55 8.47 8.76 1uv4A1 GLN 73 HA -0.24 0.22 1.01 -0.75 4.36 4.60 1uv4A1 GLN 73 HB2 0.01 -0.09 -0.03 -0.04 2.15 2.00 1uv4A1 GLN 73 HB3 -0.03 -0.02 0.09 -0.04 2.02 2.03 1uv4A1 GLN 73 HG2 -0.81 -0.11 -0.05 -0.04 2.40 1.39 1uv4A1 GLN 73 HG3 -0.79 0.06 0.10 -0.04 2.39 1.72 1uv4A1 GLN 73 HE21 0.01 0.17 -0.16 -0.04 6.97 6.95 1uv4A1 GLN 73 HE22 -0.56 0.01 -0.14 -0.04 7.69 6.96 1uv4A1 TRP 74 H 0.02 0.55 0.36 -0.55 7.97 8.35 1uv4A1 TRP 74 HA 0.06 0.17 1.15 -0.75 4.62 5.24 1uv4A1 TRP 74 HB2 0.04 -0.07 -0.01 -0.04 3.23 3.15 1uv4A1 TRP 74 HB3 0.08 -0.01 0.02 -0.04 3.23 3.27 1uv4A1 TRP 74 HD1 0.04 0.08 -0.90 -0.04 7.22 6.39 1uv4A1 TRP 74 HE1 -0.12 0.04 -0.11 -0.04 10.20 9.98 1uv4A1 TRP 74 HE3 0.10 -0.02 -0.12 -0.04 7.59 7.51 1uv4A1 TRP 74 HZ2 -0.49 -0.09 -0.26 -0.04 7.44 6.55 1uv4A1 TRP 74 HZ3 0.14 0.04 -0.14 -0.04 7.13 7.12 1uv4A1 TRP 74 HH2 0.10 0.00 -0.52 -0.04 7.19 6.74 1uv4A1 ALA 75 H 0.21 0.09 0.19 -0.55 8.40 8.34 1uv4A1 ALA 75 HA 0.12 0.24 0.46 -0.75 4.34 4.41 1uv4A1 ALA 75 HB3 0.19 -0.01 -0.02 -0.04 1.41 1.53 1uv4A1 PRO 76 HA 0.19 0.29 0.70 -0.51 4.44 5.11 1uv4A1 PRO 76 HB2 0.07 -0.04 -0.14 -0.04 2.28 2.13 1uv4A1 PRO 76 HB3 0.08 -0.06 -0.07 -0.04 2.02 1.93 1uv4A1 PRO 76 HG2 0.07 0.11 -0.28 -0.04 2.03 1.89 1uv4A1 PRO 76 HG3 0.05 0.01 -0.26 -0.04 2.03 1.79 1uv4A1 PRO 76 HD2 0.09 0.21 0.09 -0.04 3.68 4.04 1uv4A1 PRO 76 HD3 0.13 0.00 -0.38 -0.04 3.65 3.36 1uv4A1 ASP 77 H 0.21 0.54 0.36 -0.55 8.40 8.96 1uv4A1 ASP 77 HA 0.16 0.10 0.76 -0.75 4.63 4.90 1uv4A1 ASP 77 HB2 0.14 0.39 -0.10 -0.04 2.71 3.10 1uv4A1 ASP 77 HB3 0.22 -0.17 0.01 -0.04 2.70 2.72 1uv4A1 ILE 78 H 0.22 0.25 0.22 -0.55 8.25 8.39 1uv4A1 ILE 78 HA 0.36 0.48 1.13 -0.75 4.18 5.40 1uv4A1 ILE 78 HB 0.19 -0.01 -0.29 -0.04 1.89 1.74 1uv4A1 ILE 78 HG12 0.44 -0.06 -0.21 -0.04 1.49 1.62 1uv4A1 ILE 78 HG13 0.41 0.11 -0.12 -0.04 1.21 1.57 1uv4A1 ILE 78 HG23 0.24 -0.01 -0.19 -0.04 0.93 0.93 1uv4A1 ILE 78 HD13 0.22 -0.03 -0.20 -0.04 0.88 0.83 1uv4A1 GLN 79 H 0.50 0.49 0.39 -0.55 8.47 9.30 1uv4A1 GLN 79 HA 0.41 0.10 0.63 -0.75 4.36 4.75 1uv4A1 GLN 79 HB2 0.54 -0.01 -0.01 -0.04 2.15 2.63 1uv4A1 GLN 79 HB3 0.51 0.04 -0.04 -0.04 2.02 2.48 1uv4A1 GLN 79 HG2 0.34 0.03 -0.33 -0.04 2.40 2.40 1uv4A1 GLN 79 HG3 0.41 0.00 -0.09 -0.04 2.39 2.67 1uv4A1 GLN 79 HE21 0.26 -0.11 0.19 -0.04 6.97 7.27 1uv4A1 GLN 79 HE22 0.25 0.08 0.16 -0.04 7.69 8.13 1uv4A1 TYR 80 H 0.44 0.16 0.18 -0.55 8.29 8.52 1uv4A1 TYR 80 HA 0.12 0.31 1.02 -0.75 4.56 5.26 1uv4A1 TYR 80 HB2 -0.05 -0.03 0.04 -0.04 3.06 2.98 1uv4A1 TYR 80 HB3 0.05 -0.01 0.15 -0.04 2.98 3.13 1uv4A1 TYR 80 HD2 -0.93 -0.03 -0.22 -0.04 7.15 5.93 1uv4A1 TYR 80 HE2 -0.31 0.01 -0.13 -0.04 6.85 6.38 1uv4A1 TYR 81 H 0.05 0.79 0.26 -0.55 8.29 8.84 1uv4A1 TYR 81 HA 0.05 0.04 0.76 -0.75 4.56 4.65 1uv4A1 TYR 81 HB2 0.29 0.05 -0.20 -0.04 3.06 3.16 1uv4A1 TYR 81 HB3 0.44 0.04 -0.06 -0.04 2.98 3.34 1uv4A1 TYR 81 HD2 -0.16 -0.00 -0.01 -0.04 7.15 6.94 1uv4A1 TYR 81 HE2 -0.02 0.06 0.05 -0.04 6.85 6.89 1uv4A1 ASN 82 H -0.27 0.15 0.14 -0.55 8.53 8.01 1uv4A1 ASN 82 HA -0.26 0.02 0.37 -0.75 4.76 4.14 1uv4A1 ASN 82 HB2 -1.26 -0.01 -0.08 -0.04 2.88 1.49 1uv4A1 ASN 82 HB3 -0.25 0.19 -0.12 -0.04 2.79 2.57 1uv4A1 ASN 82 HD21 -0.03 -0.04 0.04 -0.04 7.03 6.96 1uv4A1 ASN 82 HD22 0.01 0.09 0.04 -0.04 7.74 7.84 1uv4A1 GLY 83 H -0.24 0.00 -0.18 -0.55 8.43 7.46 1uv4A1 GLY 83 HA2 -0.13 -0.04 0.25 -0.51 4.01 3.59 1uv4A1 GLY 83 HA3 -0.12 0.09 0.40 -0.51 4.01 3.86 1uv4A1 LYS 84 H -0.60 0.37 -0.19 -0.55 8.42 7.45 1uv4A1 LYS 84 HA -0.49 0.14 0.93 -0.75 4.32 4.15 1uv4A1 LYS 84 HB2 -0.81 0.07 -0.07 -0.04 1.87 1.02 1uv4A1 LYS 84 HB3 -1.01 0.06 0.02 -0.04 1.79 0.82 1uv4A1 LYS 84 HG2 -0.32 -0.03 -0.06 -0.04 1.46 1.00 1uv4A1 LYS 84 HG3 -0.24 0.02 -0.40 -0.04 1.46 0.80 1uv4A1 LYS 84 HD2 -0.40 0.05 -0.09 -0.04 1.69 1.21 1uv4A1 LYS 84 HD3 -0.54 -0.07 -0.09 -0.04 1.68 0.94 1uv4A1 LYS 84 HE2 -0.13 -0.07 -0.07 -0.04 2.99 2.67 1uv4A1 LYS 84 HE3 -0.09 0.02 -0.06 -0.04 2.99 2.82 1uv4A1 TYR 85 H -0.24 0.58 0.36 -0.55 8.29 8.44 1uv4A1 TYR 85 HA 0.09 0.24 0.98 -0.75 4.56 5.12 1uv4A1 TYR 85 HB2 -0.12 -0.08 0.09 -0.04 3.06 2.91 1uv4A1 TYR 85 HB3 0.31 0.04 -0.10 -0.04 2.98 3.19 1uv4A1 TYR 85 HD2 0.07 0.01 -0.32 -0.04 7.15 6.87 1uv4A1 TYR 85 HE2 0.05 0.06 -0.21 -0.04 6.85 6.71 1uv4A1 TRP 86 H 0.50 0.64 0.39 -0.55 7.97 8.95 1uv4A1 TRP 86 HA 0.24 0.22 0.95 -0.75 4.62 5.28 1uv4A1 TRP 86 HB2 0.31 -0.06 0.13 -0.04 3.23 3.56 1uv4A1 TRP 86 HB3 0.09 0.05 -0.03 -0.04 3.23 3.30 1uv4A1 TRP 86 HD1 0.27 -0.02 -0.03 -0.04 7.22 7.39 1uv4A1 TRP 86 HE1 0.07 0.46 0.05 -0.04 10.20 10.74 1uv4A1 TRP 86 HE3 0.04 0.02 -0.11 -0.04 7.59 7.50 1uv4A1 TRP 86 HZ2 0.00 0.05 -0.08 -0.04 7.44 7.36 1uv4A1 TRP 86 HZ3 0.06 0.01 -0.16 -0.04 7.13 6.99 1uv4A1 TRP 86 HH2 0.04 0.00 -0.13 -0.04 7.19 7.06 1uv4A1 LEU 87 H 0.32 0.70 0.28 -0.55 8.37 9.13 1uv4A1 LEU 87 HA 0.23 0.35 0.99 -0.75 4.35 5.16 1uv4A1 LEU 87 HB2 -0.28 -0.07 -0.15 -0.04 1.64 1.10 1uv4A1 LEU 87 HB3 -0.15 -0.05 0.09 -0.04 1.64 1.49 1uv4A1 LEU 87 HG -0.00 -0.00 -0.29 -0.04 1.64 1.31 1uv4A1 LEU 87 HD13 -0.06 0.05 -0.11 -0.04 0.93 0.77 1uv4A1 LEU 87 HD23 -1.14 -0.03 -0.17 -0.04 0.89 -0.49 1uv4A1 TYR 88 H 0.41 0.52 0.33 -0.55 8.29 8.99 1uv4A1 TYR 88 HA 0.12 0.32 1.03 -0.75 4.56 5.27 1uv4A1 TYR 88 HB2 0.11 -0.01 0.07 -0.04 3.06 3.19 1uv4A1 TYR 88 HB3 0.02 0.01 0.05 -0.04 2.98 3.03 1uv4A1 TYR 88 HD2 0.09 0.03 -0.09 -0.04 7.15 7.13 1uv4A1 TYR 88 HE2 0.04 0.02 -0.09 -0.04 6.85 6.78 1uv4A1 TYR 89 H -0.24 0.48 0.35 -0.55 8.29 8.33 1uv4A1 TYR 89 HA 0.09 0.29 0.65 -0.75 4.56 4.84 1uv4A1 TYR 89 HB2 0.05 -0.02 -0.07 -0.04 3.06 2.97 1uv4A1 TYR 89 HB3 0.09 0.04 -0.39 -0.04 2.98 2.67 1uv4A1 TYR 89 HD2 -0.05 0.11 -0.43 -0.04 7.15 6.74 1uv4A1 TYR 89 HE2 -0.19 -0.02 -0.32 -0.04 6.85 6.28 1uv4A1 SER 90 H 0.13 0.40 0.28 -0.55 8.46 8.72 1uv4A1 SER 90 HA -0.23 0.30 1.02 -0.75 4.49 4.83 1uv4A1 SER 90 HB2 -0.04 -0.12 0.12 -0.04 3.95 3.86 1uv4A1 SER 90 HB3 -0.14 0.06 0.09 -0.04 3.93 3.90 1uv4A1 VAL 91 H -0.45 0.85 0.49 -0.55 8.24 8.58 1uv4A1 VAL 91 HA -0.79 0.18 0.97 -0.75 4.13 3.73 1uv4A1 VAL 91 HB -0.63 -0.04 0.23 -0.04 2.12 1.65 1uv4A1 VAL 91 HG13 -0.87 0.01 -0.05 -0.04 0.97 0.02 1uv4A1 VAL 91 HG23 -1.61 -0.01 -0.10 -0.04 0.95 -0.82 1uv4A1 SER 92 H -0.83 0.38 0.24 -0.55 8.46 7.69 1uv4A1 SER 92 HA -0.37 0.20 0.67 -0.75 4.49 4.24 1uv4A1 SER 92 HB2 -0.66 0.05 -0.43 -0.04 3.95 2.87 1uv4A1 SER 92 HB3 -2.11 -0.04 -0.18 -0.04 3.93 1.57 1uv4A1 SER 93 H -0.13 0.33 0.18 -0.55 8.46 8.29 1uv4A1 SER 93 HA -0.11 0.07 0.57 -0.75 4.49 4.27 1uv4A1 SER 93 HB2 -0.00 0.02 0.14 -0.04 3.95 4.07 1uv4A1 SER 93 HB3 -0.06 0.15 0.07 -0.04 3.93 4.05 1uv4A1 PHE 94 H -0.16 0.14 0.12 -0.55 8.34 7.88 1uv4A1 PHE 94 HA 0.37 0.01 0.36 -0.75 4.62 4.60 1uv4A1 PHE 94 HB2 0.11 0.00 0.14 -0.04 3.15 3.36 1uv4A1 PHE 94 HB3 0.05 0.06 0.01 -0.04 3.06 3.15 1uv4A1 PHE 94 HD2 -0.09 0.01 0.03 -0.04 7.28 7.19 1uv4A1 PHE 94 HE2 -0.17 0.02 0.00 -0.04 7.38 7.19 1uv4A1 PHE 94 HZ 0.05 0.01 0.03 -0.04 7.32 7.36 1uv4A1 GLY 95 H 0.36 0.13 0.16 -0.55 8.43 8.54 1uv4A1 GLY 95 HA2 0.12 0.02 0.32 -0.51 4.01 3.95 1uv4A1 GLY 95 HA3 0.15 0.11 0.51 -0.51 4.01 4.27 1uv4A1 SER 96 H 0.28 0.50 -0.16 -0.55 8.46 8.53 1uv4A1 SER 96 HA 0.24 0.10 0.55 -0.75 4.49 4.64 1uv4A1 SER 96 HB2 0.11 0.05 -0.06 -0.04 3.95 4.01 1uv4A1 SER 96 HB3 0.08 0.06 0.08 -0.04 3.93 4.11 1uv4A1 ASN 97 H -0.07 0.15 0.09 -0.55 8.53 8.15 1uv4A1 ASN 97 HA -0.25 0.29 1.01 -0.75 4.76 5.06 1uv4A1 ASN 97 HB2 -0.87 0.08 0.12 -0.04 2.88 2.17 1uv4A1 ASN 97 HB3 -2.63 0.01 -0.08 -0.04 2.79 0.05 1uv4A1 ASN 97 HD21 -0.69 0.20 0.11 -0.04 7.03 6.61 1uv4A1 ASN 97 HD22 -1.14 0.07 -0.03 -0.04 7.74 6.60 1uv4A1 THR 98 H -0.07 0.04 -0.24 -0.55 8.28 7.46 1uv4A1 THR 98 HA -0.11 0.35 0.87 -0.75 4.39 4.75 1uv4A1 THR 98 HB -0.03 -0.05 0.18 -0.04 4.32 4.38 1uv4A1 THR 98 HG23 -0.02 0.02 0.11 -0.04 1.22 1.29 1uv4A1 SER 99 H -0.10 0.51 0.29 -0.55 8.46 8.62 1uv4A1 SER 99 HA -0.18 0.21 0.92 -0.75 4.49 4.69 1uv4A1 SER 99 HB2 -0.10 -0.21 -0.19 -0.04 3.95 3.41 1uv4A1 SER 99 HB3 -0.19 0.14 -0.04 -0.04 3.93 3.81 1uv4A1 ALA 100 H -0.25 0.61 0.46 -0.55 8.40 8.67 1uv4A1 ALA 100 HA -0.14 0.12 0.96 -0.75 4.34 4.53 1uv4A1 ALA 100 HB3 -0.02 -0.01 -0.00 -0.04 1.41 1.33 1uv4A1 ILE 101 H -0.18 0.72 0.45 -0.55 8.25 8.69 1uv4A1 ILE 101 HA -0.26 0.33 1.18 -0.75 4.18 4.67 1uv4A1 ILE 101 HB -0.21 -0.09 0.19 -0.04 1.89 1.74 1uv4A1 ILE 101 HG12 -0.10 0.01 -0.17 -0.04 1.49 1.18 1uv4A1 ILE 101 HG13 -0.20 0.18 -0.39 -0.04 1.21 0.75 1uv4A1 ILE 101 HG23 -0.01 0.00 -0.05 -0.04 0.93 0.83 1uv4A1 ILE 101 HD13 -0.35 -0.01 -0.29 -0.04 0.88 0.18 1uv4A1 GLY 102 H -0.73 0.49 0.29 -0.55 8.43 7.93 1uv4A1 GLY 102 HA2 0.14 0.19 0.89 -0.51 4.01 4.72 1uv4A1 GLY 102 HA3 -0.04 -0.06 0.27 -0.51 4.01 3.66 1uv4A1 LEU 103 H 0.26 0.37 0.22 -0.55 8.37 8.67 1uv4A1 LEU 103 HA 0.01 0.33 1.01 -0.75 4.35 4.95 1uv4A1 LEU 103 HB2 -0.18 0.03 -0.15 -0.04 1.64 1.31 1uv4A1 LEU 103 HB3 0.06 0.01 -0.06 -0.04 1.64 1.61 1uv4A1 LEU 103 HG 0.23 -0.08 -0.32 -0.04 1.64 1.43 1uv4A1 LEU 103 HD13 -0.60 0.02 -0.12 -0.04 0.93 0.19 1uv4A1 LEU 103 HD23 0.08 0.03 -0.12 -0.04 0.89 0.84 1uv4A1 ALA 104 H 0.28 0.72 0.37 -0.55 8.40 9.23 1uv4A1 ALA 104 HA 0.36 0.19 1.02 -0.75 4.34 5.14 1uv4A1 ALA 104 HB3 0.41 -0.04 -0.05 -0.04 1.41 1.69 1uv4A1 SER 105 H 0.31 0.44 0.38 -0.55 8.46 9.05 1uv4A1 SER 105 HA 0.12 0.37 1.16 -0.75 4.49 5.39 1uv4A1 SER 105 HB2 -0.74 0.05 0.09 -0.04 3.95 3.31 1uv4A1 SER 105 HB3 -0.30 0.03 -0.13 -0.04 3.93 3.49 1uv4A1 SER 106 H -0.30 0.58 0.39 -0.55 8.46 8.58 1uv4A1 SER 106 HA -0.40 0.11 0.74 -0.75 4.49 4.19 1uv4A1 SER 106 HB2 -2.10 0.12 -0.13 -0.04 3.95 1.81 1uv4A1 SER 106 HB3 -1.35 -0.09 -0.14 -0.04 3.93 2.32 1uv4A1 THR 107 H -0.23 0.19 0.19 -0.55 8.28 7.89 1uv4A1 THR 107 HA -0.05 0.22 1.08 -0.75 4.39 4.88 1uv4A1 THR 107 HB -0.04 0.01 0.22 -0.04 4.32 4.48 1uv4A1 THR 107 HG23 -0.12 0.05 0.05 -0.04 1.22 1.17 1uv4A1 SER 108 H -0.27 0.16 -0.06 -0.55 8.46 7.75 1uv4A1 SER 108 HA 0.07 0.10 0.53 -0.75 4.49 4.44 1uv4A1 SER 108 HB2 -0.04 0.22 -0.05 -0.04 3.95 4.04 1uv4A1 SER 108 HB3 -0.13 -0.00 0.02 -0.04 3.93 3.77 1uv4A1 ILE 109 H -0.43 0.21 0.04 -0.55 8.25 7.52 1uv4A1 ILE 109 HA -0.30 0.15 0.43 -0.75 4.18 3.70 1uv4A1 ILE 109 HB -0.82 -0.01 -0.02 -0.04 1.89 1.00 1uv4A1 ILE 109 HG12 -0.29 0.06 -0.13 -0.04 1.49 1.09 1uv4A1 ILE 109 HG13 -1.32 -0.11 -0.07 -0.04 1.21 -0.34 1uv4A1 ILE 109 HG23 -0.43 0.03 -0.18 -0.04 0.93 0.32 1uv4A1 ILE 109 HD13 -0.44 0.02 -0.16 -0.04 0.88 0.26 1uv4A1 SER 110 H -0.25 0.04 -0.10 -0.55 8.46 7.61 1uv4A1 SER 110 HA -0.01 0.15 0.34 -0.75 4.49 4.21 1uv4A1 SER 110 HB2 0.12 0.06 0.03 -0.04 3.95 4.11 1uv4A1 SER 110 HB3 0.09 -0.01 0.04 -0.04 3.93 4.01 1uv4A1 SER 111 H -0.13 -0.01 -0.50 -0.55 8.46 7.27 1uv4A1 SER 111 HA -0.03 0.11 0.37 -0.75 4.49 4.19 1uv4A1 SER 111 HB2 -0.07 0.03 0.05 -0.04 3.95 3.92 1uv4A1 SER 111 HB3 -0.08 -0.07 0.02 -0.04 3.93 3.76 1uv4A1 GLY 112 H -0.16 0.19 -0.28 -0.55 8.43 7.65 1uv4A1 GLY 112 HA2 0.11 0.07 0.21 -0.51 4.01 3.89 1uv4A1 GLY 112 HA3 0.05 0.11 0.33 -0.51 4.01 3.99 1uv4A1 GLY 113 H -0.27 0.05 -0.19 -0.55 8.43 7.47 1uv4A1 GLY 113 HA2 -0.03 0.15 0.77 -0.51 4.01 4.39 1uv4A1 GLY 113 HA3 -0.15 -0.02 0.24 -0.51 4.01 3.58 1uv4A1 TRP 114 H 0.14 0.23 0.15 -0.55 7.97 7.94 1uv4A1 TRP 114 HA -0.03 0.29 0.93 -0.75 4.62 5.06 1uv4A1 TRP 114 HB2 -0.07 -0.04 0.00 -0.04 3.23 3.08 1uv4A1 TRP 114 HB3 0.00 0.01 -0.12 -0.04 3.23 3.09 1uv4A1 TRP 114 HD1 -0.14 0.14 -0.35 -0.04 7.22 6.83 1uv4A1 TRP 114 HE1 -0.15 0.04 -0.19 -0.04 10.20 9.87 1uv4A1 TRP 114 HE3 -0.00 -0.00 -0.47 -0.04 7.59 7.07 1uv4A1 TRP 114 HZ2 -0.20 -0.02 -0.18 -0.04 7.44 7.00 1uv4A1 TRP 114 HZ3 0.02 0.09 -0.34 -0.04 7.13 6.86 1uv4A1 TRP 114 HH2 -0.08 -0.03 -0.25 -0.04 7.19 6.78 1uv4A1 LYS 115 H 0.14 0.79 0.36 -0.55 8.42 9.15 1uv4A1 LYS 115 HA 0.13 0.09 0.83 -0.75 4.32 4.62 1uv4A1 LYS 115 HB2 0.02 -0.01 0.07 -0.04 1.87 1.91 1uv4A1 LYS 115 HB3 0.07 -0.02 0.16 -0.04 1.79 1.95 1uv4A1 LYS 115 HG2 0.11 0.10 -0.35 -0.04 1.46 1.28 1uv4A1 LYS 115 HG3 0.07 -0.02 0.02 -0.04 1.46 1.48 1uv4A1 LYS 115 HD2 0.02 -0.03 -0.03 -0.04 1.69 1.61 1uv4A1 LYS 115 HD3 0.02 -0.02 -0.06 -0.04 1.68 1.58 1uv4A1 LYS 115 HE2 0.08 0.04 -0.10 -0.04 2.99 2.97 1uv4A1 LYS 115 HE3 0.05 0.01 -0.04 -0.04 2.99 2.97 1uv4A1 ASP 116 H 0.18 0.16 0.18 -0.55 8.40 8.36 1uv4A1 ASP 116 HA 0.34 0.09 0.73 -0.75 4.63 5.04 1uv4A1 ASP 116 HB2 0.20 0.02 0.14 -0.04 2.71 3.04 1uv4A1 ASP 116 HB3 0.17 0.01 0.23 -0.04 2.70 3.07 1uv4A1 GLU 117 H 0.28 0.60 0.48 -0.55 8.60 9.41 1uv4A1 GLU 117 HA 0.11 0.12 0.80 -0.75 4.29 4.57 1uv4A1 GLU 117 HB2 0.19 0.10 -0.07 -0.04 2.09 2.28 1uv4A1 GLU 117 HB3 0.15 0.04 0.06 -0.04 1.99 2.20 1uv4A1 GLU 117 HG2 0.22 -0.01 -0.17 -0.04 2.34 2.34 1uv4A1 GLU 117 HG3 0.36 -0.01 -0.24 -0.04 2.34 2.41 1uv4A1 GLY 118 H 0.25 -0.01 0.02 -0.55 8.43 8.14 1uv4A1 GLY 118 HA2 -0.65 -0.09 0.26 -0.51 4.01 3.02 1uv4A1 GLY 118 HA3 -0.42 0.15 0.54 -0.51 4.01 3.77 1uv4A1 LEU 119 H -0.90 0.08 0.13 -0.55 8.37 7.13 1uv4A1 LEU 119 HA -0.39 0.05 0.45 -0.75 4.35 3.69 1uv4A1 LEU 119 HB2 -0.85 -0.06 0.03 -0.04 1.64 0.72 1uv4A1 LEU 119 HB3 -0.49 0.00 0.08 -0.04 1.64 1.19 1uv4A1 LEU 119 HG -0.31 0.08 -0.56 -0.04 1.64 0.81 1uv4A1 LEU 119 HD13 -0.29 0.01 -0.15 -0.04 0.93 0.46 1uv4A1 LEU 119 HD23 -0.69 -0.01 -0.12 -0.04 0.89 0.03 1uv4A1 VAL 120 H -0.11 0.64 0.40 -0.55 8.24 8.63 1uv4A1 VAL 120 HA -0.07 0.13 0.78 -0.75 4.13 4.22 1uv4A1 VAL 120 HB -0.04 0.02 0.08 -0.04 2.12 2.14 1uv4A1 VAL 120 HG13 0.04 -0.01 -0.09 -0.04 0.97 0.87 1uv4A1 VAL 120 HG23 0.10 0.01 -0.24 -0.04 0.95 0.78 1uv4A1 ILE 121 H -0.17 0.36 0.34 -0.55 8.25 8.23 1uv4A1 ILE 121 HA -0.17 0.08 0.58 -0.75 4.18 3.92 1uv4A1 ILE 121 HB -0.17 0.13 -0.23 -0.04 1.89 1.58 1uv4A1 ILE 121 HG12 -0.12 0.09 -0.07 -0.04 1.49 1.34 1uv4A1 ILE 121 HG13 -0.08 -0.02 0.12 -0.04 1.21 1.19 1uv4A1 ILE 121 HG23 -0.57 -0.02 -0.17 -0.04 0.93 0.14 1uv4A1 ILE 121 HD13 -0.03 -0.01 -0.09 -0.04 0.88 0.71 1uv4A1 ARG 122 H -0.13 0.21 0.21 -0.55 8.46 8.19 1uv4A1 ARG 122 HA -0.14 0.19 1.07 -0.75 4.34 4.71 1uv4A1 ARG 122 HB2 -0.07 0.22 0.29 -0.04 1.90 2.30 1uv4A1 ARG 122 HB3 -0.22 -0.07 0.05 -0.04 1.80 1.52 1uv4A1 ARG 122 HG2 -0.30 0.01 -0.02 -0.04 1.67 1.32 1uv4A1 ARG 122 HG3 -0.24 -0.09 0.02 -0.04 1.67 1.32 1uv4A1 ARG 122 HD2 -0.05 -0.05 -0.22 -0.04 3.22 2.85 1uv4A1 ARG 122 HD3 -0.02 0.08 -0.20 -0.04 3.22 3.04 1uv4A1 SER 123 H -0.08 0.70 0.46 -0.55 8.46 9.00 1uv4A1 SER 123 HA -0.13 0.09 0.82 -0.75 4.49 4.52 1uv4A1 SER 123 HB2 -0.34 0.24 0.26 -0.04 3.95 4.07 1uv4A1 SER 123 HB3 0.00 -0.06 -0.07 -0.04 3.93 3.76 1uv4A1 THR 124 H -0.22 0.09 0.28 -0.55 8.28 7.89 1uv4A1 THR 124 HA -0.11 0.21 0.84 -0.75 4.39 4.57 1uv4A1 THR 124 HB -0.06 -0.06 0.25 -0.04 4.32 4.41 1uv4A1 THR 124 HG23 -0.02 0.05 -0.07 -0.04 1.22 1.14 1uv4A1 SER 125 H -0.09 0.18 0.15 -0.55 8.46 8.16 1uv4A1 SER 125 HA -0.17 0.12 0.39 -0.75 4.49 4.08 1uv4A1 SER 125 HB2 -0.01 0.05 0.11 -0.04 3.95 4.06 1uv4A1 SER 125 HB3 -0.04 -0.02 0.13 -0.04 3.93 3.96 1uv4A1 SER 126 H -0.10 -0.06 -0.41 -0.55 8.46 7.34 1uv4A1 SER 126 HA -0.06 0.16 0.66 -0.75 4.49 4.49 1uv4A1 SER 126 HB2 -0.07 -0.04 0.02 -0.04 3.95 3.82 1uv4A1 SER 126 HB3 -0.05 0.02 0.08 -0.04 3.93 3.94 1uv4A1 ASN 127 H -0.26 0.47 -0.14 -0.55 8.53 8.06 1uv4A1 ASN 127 HA -0.24 0.10 0.75 -0.75 4.76 4.61 1uv4A1 ASN 127 HB2 -0.63 0.23 0.27 -0.04 2.88 2.71 1uv4A1 ASN 127 HB3 -1.29 -0.05 0.13 -0.04 2.79 1.54 1uv4A1 ASN 127 HD21 -0.08 0.01 -0.01 -0.04 7.03 6.91 1uv4A1 ASN 127 HD22 -0.20 0.02 0.04 -0.04 7.74 7.55 1uv4A1 ASN 128 H -0.14 0.13 0.12 -0.55 8.53 8.10 1uv4A1 ASN 128 HA 0.01 0.21 0.80 -0.75 4.76 5.02 1uv4A1 ASN 128 HB2 0.14 -0.02 0.20 -0.04 2.88 3.16 1uv4A1 ASN 128 HB3 0.06 0.04 0.10 -0.04 2.79 2.95 1uv4A1 ASN 128 HD21 0.11 0.02 0.01 -0.04 7.03 7.12 1uv4A1 ASN 128 HD22 0.10 -0.00 0.05 -0.04 7.74 7.84 1uv4A1 TYR 129 H -0.49 0.27 -0.38 -0.55 8.29 7.14 1uv4A1 TYR 129 HA 0.17 0.12 0.50 -0.75 4.56 4.60 1uv4A1 TYR 129 HB2 0.13 0.06 0.03 -0.04 3.06 3.23 1uv4A1 TYR 129 HB3 0.07 0.09 -0.12 -0.04 2.98 2.98 1uv4A1 TYR 129 HD2 0.12 -0.01 -0.42 -0.04 7.15 6.81 1uv4A1 TYR 129 HE2 0.04 0.06 -0.09 -0.04 6.85 6.82 1uv4A1 ASN 130 H 0.37 0.25 0.12 -0.55 8.53 8.72 1uv4A1 ASN 130 HA -0.09 0.17 0.84 -0.75 4.76 4.93 1uv4A1 ASN 130 HB2 0.09 0.05 -0.09 -0.04 2.88 2.89 1uv4A1 ASN 130 HB3 0.37 0.01 0.16 -0.04 2.79 3.29 1uv4A1 ASN 130 HD21 0.36 0.05 -0.13 -0.04 7.03 7.26 1uv4A1 ASN 130 HD22 0.53 0.04 -0.13 -0.04 7.74 8.14 1uv4A1 ALA 131 H 0.04 0.20 -0.07 -0.55 8.40 8.02 1uv4A1 ALA 131 HA -0.01 0.15 0.40 -0.75 4.34 4.13 1uv4A1 ALA 131 HB3 -0.16 0.03 -0.21 -0.04 1.41 1.03 1uv4A1 ILE 132 H 0.24 0.54 -0.05 -0.55 8.25 8.43 1uv4A1 ILE 132 HA 0.03 0.15 0.45 -0.75 4.18 4.06 1uv4A1 ILE 132 HB 0.26 -0.06 0.02 -0.04 1.89 2.07 1uv4A1 ILE 132 HG12 0.30 -0.00 -0.26 -0.04 1.49 1.49 1uv4A1 ILE 132 HG13 0.30 0.06 -0.45 -0.04 1.21 1.08 1uv4A1 ILE 132 HG23 0.02 -0.01 -0.37 -0.04 0.93 0.53 1uv4A1 ILE 132 HD13 0.51 -0.00 -0.14 -0.04 0.88 1.20 1uv4A1 ASP 133 H 0.17 0.14 0.06 -0.55 8.40 8.22 1uv4A1 ASP 133 HA 0.17 0.14 0.37 -0.75 4.63 4.56 1uv4A1 ASP 133 HB2 0.20 0.10 0.15 -0.04 2.71 3.11 1uv4A1 ASP 133 HB3 0.14 0.04 0.26 -0.04 2.70 3.10 1uv4A1 PRO 134 HA 0.11 0.25 0.54 -0.51 4.44 4.82 1uv4A1 PRO 134 HB2 0.01 -0.03 -0.16 -0.04 2.28 2.05 1uv4A1 PRO 134 HB3 0.00 -0.03 -0.03 -0.04 2.02 1.91 1uv4A1 PRO 134 HG2 0.15 0.16 -0.14 -0.04 2.03 2.17 1uv4A1 PRO 134 HG3 0.10 -0.07 -0.20 -0.04 2.03 1.81 1uv4A1 PRO 134 HD2 0.13 0.29 0.17 -0.04 3.68 4.23 1uv4A1 PRO 134 HD3 0.06 -0.05 -0.12 -0.04 3.65 3.49 1uv4A1 GLU 135 H -0.01 0.46 0.30 -0.55 8.60 8.80 1uv4A1 GLU 135 HA 0.04 0.08 0.76 -0.75 4.29 4.42 1uv4A1 GLU 135 HB2 0.04 0.38 -0.03 -0.04 2.09 2.44 1uv4A1 GLU 135 HB3 0.02 -0.06 0.03 -0.04 1.99 1.93 1uv4A1 GLU 135 HG2 0.02 -0.14 -0.21 -0.04 2.34 1.97 1uv4A1 GLU 135 HG3 -0.00 -0.10 -0.42 -0.04 2.34 1.78 1uv4A1 LEU 136 H 0.00 0.15 0.11 -0.55 8.37 8.09 1uv4A1 LEU 136 HA -0.25 0.22 0.83 -0.75 4.35 4.40 1uv4A1 LEU 136 HB2 -0.10 -0.01 0.02 -0.04 1.64 1.51 1uv4A1 LEU 136 HB3 0.10 -0.03 0.07 -0.04 1.64 1.73 1uv4A1 LEU 136 HG -0.45 0.00 -0.25 -0.04 1.64 0.91 1uv4A1 LEU 136 HD13 -0.35 0.04 0.00 -0.04 0.93 0.59 1uv4A1 LEU 136 HD23 0.30 -0.02 -0.09 -0.04 0.89 1.04 1uv4A1 THR 137 H -0.25 0.69 0.42 -0.55 8.28 8.59 1uv4A1 THR 137 HA -0.09 0.16 0.74 -0.75 4.39 4.44 1uv4A1 THR 137 HB -0.01 0.08 -0.18 -0.04 4.32 4.17 1uv4A1 THR 137 HG23 -0.05 -0.01 -0.26 -0.04 1.22 0.86 1uv4A1 PHE 138 H 0.14 0.24 0.17 -0.55 8.34 8.33 1uv4A1 PHE 138 HA 0.08 0.29 0.76 -0.75 4.62 4.99 1uv4A1 PHE 138 HB2 0.04 -0.03 0.03 -0.04 3.15 3.15 1uv4A1 PHE 138 HB3 0.02 -0.03 -0.18 -0.04 3.06 2.82 1uv4A1 PHE 138 HD2 -0.10 0.03 -0.24 -0.04 7.28 6.93 1uv4A1 PHE 138 HE2 -0.74 0.00 -0.10 -0.04 7.38 6.50 1uv4A1 PHE 138 HZ -0.14 -0.02 -0.15 -0.04 7.32 6.98 1uv4A1 ASP 139 H 0.24 0.56 0.15 -0.55 8.40 8.81 1uv4A1 ASP 139 HA 0.13 0.19 0.56 -0.75 4.63 4.75 1uv4A1 ASP 139 HB2 -0.06 -0.09 0.16 -0.04 2.71 2.68 1uv4A1 ASP 139 HB3 -0.25 0.10 0.02 -0.04 2.70 2.52 1uv4A1 LYS 140 H -0.19 0.16 0.13 -0.55 8.42 7.96 1uv4A1 LYS 140 HA -0.48 0.16 0.42 -0.75 4.32 3.66 1uv4A1 LYS 140 HB2 -0.39 0.05 0.09 -0.04 1.87 1.57 1uv4A1 LYS 140 HB3 -1.09 0.03 0.10 -0.04 1.79 0.79 1uv4A1 LYS 140 HG2 -0.14 -0.06 0.06 -0.04 1.46 1.28 1uv4A1 LYS 140 HG3 -0.11 0.03 -0.24 -0.04 1.46 1.10 1uv4A1 LYS 140 HD2 -0.15 0.04 0.00 -0.04 1.69 1.55 1uv4A1 LYS 140 HD3 -0.07 0.00 -0.00 -0.04 1.68 1.57 1uv4A1 LYS 140 HE2 -0.06 0.01 -0.06 -0.04 2.99 2.83 1uv4A1 LYS 140 HE3 -0.04 0.02 -0.02 -0.04 2.99 2.91 1uv4A1 ASP 141 H -0.01 -0.01 -0.32 -0.55 8.40 7.52 1uv4A1 ASP 141 HA 0.01 0.24 0.78 -0.75 4.63 4.90 1uv4A1 ASP 141 HB2 0.07 -0.07 0.03 -0.04 2.71 2.70 1uv4A1 ASP 141 HB3 0.04 0.05 0.16 -0.04 2.70 2.92 1uv4A1 GLY 142 H 0.06 0.58 -0.41 -0.55 8.43 8.11 1uv4A1 GLY 142 HA2 0.12 0.08 0.24 -0.51 4.01 3.94 1uv4A1 GLY 142 HA3 0.09 0.08 0.47 -0.51 4.01 4.14 1uv4A1 ASN 143 H 0.17 -0.11 -0.31 -0.55 8.53 7.74 1uv4A1 ASN 143 HA 0.18 0.26 0.74 -0.75 4.76 5.18 1uv4A1 ASN 143 HB2 0.17 -0.14 0.03 -0.04 2.88 2.90 1uv4A1 ASN 143 HB3 0.05 0.12 0.06 -0.04 2.79 2.97 1uv4A1 ASN 143 HD21 0.06 0.04 -0.02 -0.04 7.03 7.07 1uv4A1 ASN 143 HD22 0.08 -0.08 -0.03 -0.04 7.74 7.68 1uv4A1 PRO 144 HA -0.38 0.34 0.66 -0.51 4.44 4.55 1uv4A1 PRO 144 HB2 -0.30 0.05 -0.14 -0.04 2.28 1.85 1uv4A1 PRO 144 HB3 -0.48 0.04 0.04 -0.04 2.02 1.58 1uv4A1 PRO 144 HG2 -0.16 0.06 -0.12 -0.04 2.03 1.77 1uv4A1 PRO 144 HG3 -0.09 0.06 -0.03 -0.04 2.03 1.92 1uv4A1 PRO 144 HD2 0.00 0.02 0.22 -0.04 3.68 3.88 1uv4A1 PRO 144 HD3 0.03 0.19 0.25 -0.04 3.65 4.08 1uv4A1 TRP 145 H -0.11 0.68 0.40 -0.55 7.97 8.39 1uv4A1 TRP 145 HA -0.15 0.06 0.85 -0.75 4.62 4.63 1uv4A1 TRP 145 HB2 -0.17 -0.05 -0.16 -0.04 3.23 2.81 1uv4A1 TRP 145 HB3 -0.13 0.08 -0.14 -0.04 3.23 3.00 1uv4A1 TRP 145 HD1 -0.12 0.15 -0.35 -0.04 7.22 6.85 1uv4A1 TRP 145 HE1 -0.09 -0.09 -0.11 -0.04 10.20 9.87 1uv4A1 TRP 145 HE3 -0.09 0.09 -0.51 -0.04 7.59 7.04 1uv4A1 TRP 145 HZ2 -0.12 -0.03 -0.05 -0.04 7.44 7.19 1uv4A1 TRP 145 HZ3 -0.22 0.06 -0.19 -0.04 7.13 6.74 1uv4A1 TRP 145 HH2 -0.21 -0.01 -0.07 -0.04 7.19 6.86 1uv4A1 LEU 146 H 0.09 0.83 0.28 -0.55 8.37 9.03 1uv4A1 LEU 146 HA -0.11 0.34 1.09 -0.75 4.35 4.92 1uv4A1 LEU 146 HB2 -0.21 -0.03 -0.17 -0.04 1.64 1.19 1uv4A1 LEU 146 HB3 -0.01 -0.05 0.03 -0.04 1.64 1.56 1uv4A1 LEU 146 HG 0.01 0.16 -0.26 -0.04 1.64 1.51 1uv4A1 LEU 146 HD13 -0.63 0.02 -0.21 -0.04 0.93 0.07 1uv4A1 LEU 146 HD23 -0.10 -0.02 -0.17 -0.04 0.89 0.56 1uv4A1 ALA 147 H -0.01 0.62 0.33 -0.55 8.40 8.79 1uv4A1 ALA 147 HA -0.03 0.29 1.08 -0.75 4.34 4.92 1uv4A1 ALA 147 HB3 -0.04 -0.02 0.04 -0.04 1.41 1.35 1uv4A1 PHE 148 H -0.30 0.58 0.36 -0.55 8.34 8.43 1uv4A1 PHE 148 HA 0.02 0.36 0.38 -0.75 4.62 4.63 1uv4A1 PHE 148 HB2 0.02 0.17 -0.06 -0.04 3.15 3.24 1uv4A1 PHE 148 HB3 -0.03 0.03 -0.22 -0.04 3.06 2.79 1uv4A1 PHE 148 HD2 -0.01 0.09 -0.33 -0.04 7.28 6.99 1uv4A1 PHE 148 HE2 -0.10 -0.03 -0.30 -0.04 7.38 6.91 1uv4A1 PHE 148 HZ -0.39 -0.02 -0.19 -0.04 7.32 6.67 1uv4A1 GLY 149 H 0.29 0.58 0.33 -0.55 8.43 9.09 1uv4A1 GLY 149 HA2 0.33 0.19 0.44 -0.51 4.01 4.46 1uv4A1 GLY 149 HA3 0.06 0.21 0.85 -0.51 4.01 4.63 1uv4A1 SER 150 H 0.32 0.23 0.17 -0.55 8.46 8.63 1uv4A1 SER 150 HA 0.25 0.20 0.78 -0.75 4.49 4.97 1uv4A1 SER 150 HB2 0.32 0.05 -0.10 -0.04 3.95 4.18 1uv4A1 SER 150 HB3 0.42 -0.07 -0.02 -0.04 3.93 4.23 1uv4A1 PHE 151 H 0.06 0.55 0.34 -0.55 8.34 8.74 1uv4A1 PHE 151 HA 0.03 0.48 0.48 -0.75 4.62 4.86 1uv4A1 PHE 151 HB2 0.13 0.06 -0.29 -0.04 3.15 3.01 1uv4A1 PHE 151 HB3 -0.50 -0.15 0.20 -0.04 3.06 2.57 1uv4A1 PHE 151 HD2 -0.08 0.02 -0.06 -0.04 7.28 7.12 1uv4A1 PHE 151 HE2 -0.04 0.03 -0.08 -0.04 7.38 7.25 1uv4A1 PHE 151 HZ -0.04 0.07 -0.13 -0.04 7.32 7.18 1uv4A1 TRP 152 H -0.13 0.13 0.18 -0.55 7.97 7.59 1uv4A1 TRP 152 HA 0.11 0.01 0.31 -0.75 4.62 4.30 1uv4A1 TRP 152 HB2 0.15 0.07 -0.27 -0.04 3.23 3.13 1uv4A1 TRP 152 HB3 0.09 0.02 -0.06 -0.04 3.23 3.24 1uv4A1 TRP 152 HD1 0.05 -0.01 0.02 -0.04 7.22 7.24 1uv4A1 TRP 152 HE1 0.04 -0.02 0.02 -0.04 10.20 10.20 1uv4A1 TRP 152 HE3 0.22 0.22 -0.21 -0.04 7.59 7.77 1uv4A1 TRP 152 HZ2 0.03 -0.03 0.02 -0.04 7.44 7.42 1uv4A1 TRP 152 HZ3 0.15 0.03 -0.23 -0.04 7.13 7.04 1uv4A1 TRP 152 HH2 0.05 0.15 -0.36 -0.04 7.19 7.00 1uv4A1 SER 153 H 0.36 0.62 0.31 -0.55 8.46 9.20 1uv4A1 SER 153 HA 0.12 0.00 0.49 -0.75 4.49 4.35 1uv4A1 SER 153 HB2 0.10 -0.08 0.17 -0.04 3.95 4.10 1uv4A1 SER 153 HB3 0.16 -0.06 0.16 -0.04 3.93 4.15 1uv4A1 GLY 154 H 0.22 0.44 -0.25 -0.55 8.43 8.30 1uv4A1 GLY 154 HA2 0.07 0.01 0.16 -0.51 4.01 3.74 1uv4A1 GLY 154 HA3 0.04 0.16 0.59 -0.51 4.01 4.28 1uv4A1 ILE 155 H -0.01 0.59 0.31 -0.55 8.25 8.59 1uv4A1 ILE 155 HA -0.11 0.28 0.69 -0.75 4.18 4.29 1uv4A1 ILE 155 HB -0.05 -0.20 0.13 -0.04 1.89 1.72 1uv4A1 ILE 155 HG12 0.01 -0.04 -0.13 -0.04 1.49 1.28 1uv4A1 ILE 155 HG13 -0.00 -0.00 -0.19 -0.04 1.21 0.97 1uv4A1 ILE 155 HG23 -0.10 0.03 -0.13 -0.04 0.93 0.69 1uv4A1 ILE 155 HD13 0.03 -0.01 -0.43 -0.04 0.88 0.43 1uv4A1 LYS 156 H -0.50 0.74 0.48 -0.55 8.42 8.58 1uv4A1 LYS 156 HA -0.22 0.27 1.06 -0.75 4.32 4.69 1uv4A1 LYS 156 HB2 -1.59 -0.04 -0.04 -0.04 1.87 0.16 1uv4A1 LYS 156 HB3 -0.49 -0.03 0.04 -0.04 1.79 1.27 1uv4A1 LYS 156 HG2 -0.41 0.12 -0.14 -0.04 1.46 0.99 1uv4A1 LYS 156 HG3 -0.72 -0.08 -0.14 -0.04 1.46 0.47 1uv4A1 LYS 156 HD2 -0.19 -0.02 -0.20 -0.04 1.69 1.24 1uv4A1 LYS 156 HD3 -0.15 0.09 -0.27 -0.04 1.68 1.31 1uv4A1 LYS 156 HE2 0.03 0.09 -0.43 -0.04 2.99 2.64 1uv4A1 LYS 156 HE3 0.06 -0.09 -0.22 -0.04 2.99 2.70 1uv4A1 LEU 157 H -0.08 0.50 0.31 -0.55 8.37 8.56 1uv4A1 LEU 157 HA 0.02 0.34 0.97 -0.75 4.35 4.93 1uv4A1 LEU 157 HB2 -0.02 0.03 -0.30 -0.04 1.64 1.31 1uv4A1 LEU 157 HB3 0.11 -0.08 -0.07 -0.04 1.64 1.56 1uv4A1 LEU 157 HG 0.43 -0.04 -0.37 -0.04 1.64 1.63 1uv4A1 LEU 157 HD13 0.05 0.03 -0.27 -0.04 0.93 0.70 1uv4A1 LEU 157 HD23 -0.29 -0.02 -0.27 -0.04 0.89 0.26 1uv4A1 THR 158 H 0.17 0.72 0.34 -0.55 8.28 8.97 1uv4A1 THR 158 HA 0.21 0.19 0.79 -0.75 4.39 4.82 1uv4A1 THR 158 HB 0.07 -0.04 -0.05 -0.04 4.32 4.25 1uv4A1 THR 158 HG23 0.05 0.00 -0.09 -0.04 1.22 1.14 1uv4A1 LYS 159 H -0.33 0.21 0.18 -0.55 8.42 7.93 1uv4A1 LYS 159 HA -1.45 0.05 0.66 -0.75 4.32 2.83 1uv4A1 LYS 159 HB2 -1.66 -0.07 0.11 -0.04 1.87 0.20 1uv4A1 LYS 159 HB3 -0.60 0.09 0.03 -0.04 1.79 1.27 1uv4A1 LYS 159 HG2 -0.61 0.13 -0.04 -0.04 1.46 0.90 1uv4A1 LYS 159 HG3 -1.53 0.05 0.08 -0.04 1.46 0.02 1uv4A1 LYS 159 HD2 -0.55 -0.06 -0.02 -0.04 1.69 1.02 1uv4A1 LYS 159 HD3 -0.39 -0.04 -0.05 -0.04 1.68 1.16 1uv4A1 LYS 159 HE2 -0.12 -0.05 -0.02 -0.04 2.99 2.75 1uv4A1 LYS 159 HE3 -0.23 0.04 -0.03 -0.04 2.99 2.73 1uv4A1 LEU 160 H -0.54 0.60 0.30 -0.55 8.37 8.18 1uv4A1 LEU 160 HA -0.19 0.21 0.73 -0.75 4.35 4.35 1uv4A1 LEU 160 HB2 -0.22 0.02 -0.31 -0.04 1.64 1.09 1uv4A1 LEU 160 HB3 -0.15 -0.01 -0.35 -0.04 1.64 1.09 1uv4A1 LEU 160 HG -0.17 -0.09 -0.49 -0.04 1.64 0.85 1uv4A1 LEU 160 HD13 -0.19 0.00 -0.34 -0.04 0.93 0.36 1uv4A1 LEU 160 HD23 -0.08 0.05 -0.49 -0.04 0.89 0.33 1uv4A1 ASP 161 H -0.13 0.79 0.15 -0.55 8.40 8.67 1uv4A1 ASP 161 HA -0.11 0.06 0.64 -0.75 4.63 4.47 1uv4A1 ASP 161 HB2 -0.09 0.14 0.05 -0.04 2.71 2.77 1uv4A1 ASP 161 HB3 -0.08 -0.08 0.15 -0.04 2.70 2.65 1uv4A1 LYS 162 H -0.05 0.16 0.21 -0.55 8.42 8.19 1uv4A1 LYS 162 HA 0.01 0.14 0.20 -0.75 4.32 3.92 1uv4A1 LYS 162 HB2 0.18 0.05 0.12 -0.04 1.87 2.18 1uv4A1 LYS 162 HB3 0.06 0.05 0.15 -0.04 1.79 2.01 1uv4A1 LYS 162 HG2 0.01 -0.14 0.12 -0.04 1.46 1.41 1uv4A1 LYS 162 HG3 0.04 0.04 -0.06 -0.04 1.46 1.44 1uv4A1 LYS 162 HD2 0.03 0.02 0.08 -0.04 1.69 1.78 1uv4A1 LYS 162 HD3 0.01 -0.02 0.05 -0.04 1.68 1.68 1uv4A1 LYS 162 HE2 0.09 0.02 0.01 -0.04 2.99 3.07 1uv4A1 LYS 162 HE3 0.08 0.02 0.01 -0.04 2.99 3.06 1uv4A1 SER 163 H -0.03 -0.03 -0.24 -0.55 8.46 7.62 1uv4A1 SER 163 HA 0.00 0.24 0.71 -0.75 4.49 4.69 1uv4A1 SER 163 HB2 0.01 0.05 0.07 -0.04 3.95 4.04 1uv4A1 SER 163 HB3 -0.00 -0.05 0.03 -0.04 3.93 3.87 1uv4A1 THR 164 H -0.06 0.01 -0.18 -0.55 8.28 7.51 1uv4A1 THR 164 HA 0.00 0.28 0.92 -0.75 4.39 4.83 1uv4A1 THR 164 HB -0.02 0.08 0.07 -0.04 4.32 4.41 1uv4A1 THR 164 HG23 -0.02 -0.01 -0.13 -0.04 1.22 1.02 1uv4A1 MET 165 H -0.13 0.47 0.03 -0.55 8.47 8.30 1uv4A1 MET 165 HA -0.17 0.05 0.18 -0.75 4.52 3.82 1uv4A1 MET 165 HB2 -0.35 0.17 -0.17 -0.04 2.15 1.76 1uv4A1 MET 165 HB3 -0.27 -0.05 0.06 -0.04 2.03 1.73 1uv4A1 MET 165 HG2 -0.72 -0.02 -0.41 -0.04 2.63 1.43 1uv4A1 MET 165 HG3 -2.47 -0.02 -0.19 -0.04 2.56 -0.16 1uv4A1 MET 165 HE3 -0.62 -0.01 -0.09 -0.04 2.10 1.33 1uv4A1 LYS 166 H -0.07 -0.06 -0.25 -0.55 8.42 7.48 1uv4A1 LYS 166 HA -0.01 0.23 0.79 -0.75 4.32 4.58 1uv4A1 LYS 166 HB2 -0.06 -0.13 -0.05 -0.04 1.87 1.59 1uv4A1 LYS 166 HB3 -0.06 0.13 0.11 -0.04 1.79 1.93 1uv4A1 LYS 166 HG2 -0.03 0.09 -0.29 -0.04 1.46 1.19 1uv4A1 LYS 166 HG3 -0.05 -0.04 -0.04 -0.04 1.46 1.28 1uv4A1 LYS 166 HD2 -0.06 0.15 0.07 -0.04 1.69 1.81 1uv4A1 LYS 166 HD3 0.00 0.03 -0.22 -0.04 1.68 1.45 1uv4A1 LYS 166 HE2 -0.01 -0.10 -0.36 -0.04 2.99 2.48 1uv4A1 LYS 166 HE3 0.01 -0.01 -0.11 -0.04 2.99 2.84 1uv4A1 PRO 167 HA -0.11 0.26 0.42 -0.51 4.44 4.50 1uv4A1 PRO 167 HB2 -0.07 -0.03 -0.02 -0.04 2.28 2.12 1uv4A1 PRO 167 HB3 -0.06 0.04 -0.01 -0.04 2.02 1.95 1uv4A1 PRO 167 HG2 -0.08 0.12 0.01 -0.04 2.03 2.05 1uv4A1 PRO 167 HG3 -0.06 -0.01 -0.04 -0.04 2.03 1.89 1uv4A1 PRO 167 HD2 -0.07 0.17 0.24 -0.04 3.68 3.97 1uv4A1 PRO 167 HD3 -0.04 0.09 0.25 -0.04 3.65 3.90 1uv4A1 THR 168 H -0.16 0.72 0.23 -0.55 8.28 8.52 1uv4A1 THR 168 HA -0.09 0.10 0.66 -0.75 4.39 4.31 1uv4A1 THR 168 HB -0.12 0.04 -0.17 -0.04 4.32 4.04 1uv4A1 THR 168 HG23 -0.22 -0.01 -0.40 -0.04 1.22 0.55 1uv4A1 GLY 169 H -0.08 0.09 0.11 -0.55 8.43 8.00 1uv4A1 GLY 169 HA2 -0.06 -0.01 0.32 -0.51 4.01 3.75 1uv4A1 GLY 169 HA3 -0.08 0.04 0.52 -0.51 4.01 3.99 1uv4A1 SER 170 H -0.08 0.05 0.18 -0.55 8.46 8.06 1uv4A1 SER 170 HA -0.14 0.10 0.54 -0.75 4.49 4.23 1uv4A1 SER 170 HB2 -0.66 -0.01 -0.02 -0.04 3.95 3.22 1uv4A1 SER 170 HB3 -0.35 0.08 0.04 -0.04 3.93 3.65 1uv4A1 LEU 171 H -0.17 0.11 0.17 -0.55 8.37 7.94 1uv4A1 LEU 171 HA -0.05 0.26 0.89 -0.75 4.35 4.70 1uv4A1 LEU 171 HB2 -0.06 0.00 0.05 -0.04 1.64 1.60 1uv4A1 LEU 171 HB3 -0.09 -0.05 0.13 -0.04 1.64 1.58 1uv4A1 LEU 171 HG -0.16 0.07 -0.20 -0.04 1.64 1.31 1uv4A1 LEU 171 HD13 0.01 0.03 -0.17 -0.04 0.93 0.76 1uv4A1 LEU 171 HD23 -0.31 -0.01 -0.09 -0.04 0.89 0.44 1uv4A1 TYR 172 H 0.15 0.80 0.39 -0.55 8.29 9.08 1uv4A1 TYR 172 HA -0.00 0.08 0.67 -0.75 4.56 4.55 1uv4A1 TYR 172 HB2 0.04 0.01 0.06 -0.04 3.06 3.13 1uv4A1 TYR 172 HB3 0.02 0.10 0.02 -0.04 2.98 3.07 1uv4A1 TYR 172 HD2 0.10 0.14 -0.01 -0.04 7.15 7.34 1uv4A1 TYR 172 HE2 0.09 -0.02 -0.02 -0.04 6.85 6.86 1uv4A1 SER 173 H 0.10 0.15 0.18 -0.55 8.46 8.35 1uv4A1 SER 173 HA -0.02 0.27 0.98 -0.75 4.49 4.97 1uv4A1 SER 173 HB2 0.04 -0.06 0.14 -0.04 3.95 4.03 1uv4A1 SER 173 HB3 0.03 0.07 0.00 -0.04 3.93 3.98 1uv4A1 ILE 174 H -0.02 0.66 0.23 -0.55 8.25 8.57 1uv4A1 ILE 174 HA 0.09 0.17 0.96 -0.75 4.18 4.65 1uv4A1 ILE 174 HB 0.02 -0.08 -0.07 -0.04 1.89 1.71 1uv4A1 ILE 174 HG12 -0.07 0.04 -0.38 -0.04 1.49 1.04 1uv4A1 ILE 174 HG13 -0.11 0.00 -0.27 -0.04 1.21 0.79 1uv4A1 ILE 174 HG23 0.07 0.03 -0.39 -0.04 0.93 0.59 1uv4A1 ILE 174 HD13 -0.18 -0.00 -0.22 -0.04 0.88 0.43 1uv4A1 ALA 175 H -0.01 0.39 0.22 -0.55 8.40 8.46 1uv4A1 ALA 175 HA 0.04 0.03 0.09 -0.75 4.34 3.75 1uv4A1 ALA 175 HB3 0.02 0.03 -0.08 -0.04 1.41 1.33 1uv4A1 ALA 176 H 0.03 0.75 0.37 -0.55 8.40 9.00 1uv4A1 ALA 176 HA -0.00 0.07 0.49 -0.75 4.34 4.14 1uv4A1 ALA 176 HB3 0.02 0.09 0.01 -0.04 1.41 1.48 1uv4A1 ARG 177 H -0.07 0.20 -0.11 -0.55 8.46 7.93 1uv4A1 ARG 177 HA -0.11 0.23 0.72 -0.75 4.34 4.43 1uv4A1 ARG 177 HB2 -0.23 -0.14 -0.05 -0.04 1.90 1.44 1uv4A1 ARG 177 HB3 -0.25 -0.05 0.03 -0.04 1.80 1.49 1uv4A1 ARG 177 HG2 -0.36 0.13 -0.12 -0.04 1.67 1.27 1uv4A1 ARG 177 HG3 -0.22 -0.04 -0.53 -0.04 1.67 0.84 1uv4A1 ARG 177 HD2 -1.02 0.05 -0.18 -0.04 3.22 2.03 1uv4A1 ARG 177 HD3 -0.47 -0.03 -0.31 -0.04 3.22 2.37 1uv4A1 PRO 178 HA -0.02 0.10 0.24 -0.51 4.44 4.25 1uv4A1 PRO 178 HB2 -0.01 0.04 -0.04 -0.04 2.28 2.22 1uv4A1 PRO 178 HB3 0.00 0.07 0.07 -0.04 2.02 2.12 1uv4A1 PRO 178 HG2 -0.02 0.00 -0.01 -0.04 2.03 1.96 1uv4A1 PRO 178 HG3 -0.00 0.17 0.06 -0.04 2.03 2.22 1uv4A1 PRO 178 HD2 -0.04 0.12 -0.22 -0.04 3.68 3.50 1uv4A1 PRO 178 HD3 -0.02 0.21 -0.28 -0.04 3.65 3.52 1uv4A1 ASN 179 H -0.06 0.13 -0.36 -0.55 8.53 7.70 1uv4A1 ASN 179 HA -0.04 0.21 0.81 -0.75 4.76 4.99 1uv4A1 ASN 179 HB2 -0.04 0.04 0.01 -0.04 2.88 2.85 1uv4A1 ASN 179 HB3 -0.03 0.02 0.14 -0.04 2.79 2.87 1uv4A1 ASN 179 HD21 -0.01 0.00 -0.06 -0.04 7.03 6.92 1uv4A1 ASN 179 HD22 -0.02 0.02 0.02 -0.04 7.74 7.73 1uv4A1 ASN 180 H -0.10 0.35 -0.30 -0.55 8.53 7.93 1uv4A1 ASN 180 HA -0.08 0.23 0.85 -0.75 4.76 5.01 1uv4A1 ASN 180 HB2 -0.20 -0.03 0.06 -0.04 2.88 2.67 1uv4A1 ASN 180 HB3 -0.16 0.01 0.22 -0.04 2.79 2.82 1uv4A1 ASN 180 HD21 -0.08 0.04 -0.13 -0.04 7.03 6.82 1uv4A1 ASN 180 HD22 -0.13 -0.11 -0.22 -0.04 7.74 7.24 1uv4A1 GLY 181 H -0.06 0.21 -0.17 -0.55 8.43 7.86 1uv4A1 GLY 181 HA2 -0.04 0.06 0.28 -0.51 4.01 3.80 1uv4A1 GLY 181 HA3 -0.03 0.07 0.21 -0.51 4.01 3.75 1uv4A1 GLY 182 H -0.12 0.41 -0.24 -0.55 8.43 7.94 1uv4A1 GLY 182 HA2 -0.14 -0.18 0.18 -0.51 4.01 3.36 1uv4A1 GLY 182 HA3 -0.10 0.24 0.52 -0.51 4.01 4.16 1uv4A1 ALA 183 H -0.32 0.36 -0.19 -0.55 8.40 7.72 1uv4A1 ALA 183 HA -1.77 0.11 0.22 -0.75 4.34 2.14 1uv4A1 ALA 183 HB3 -0.19 0.00 -0.01 -0.04 1.41 1.17 1uv4A1 LEU 184 H -0.52 0.64 0.38 -0.55 8.37 8.33 1uv4A1 LEU 184 HA 0.01 0.23 0.67 -0.75 4.35 4.50 1uv4A1 LEU 184 HB2 0.19 0.08 0.04 -0.04 1.64 1.90 1uv4A1 LEU 184 HB3 -0.07 -0.03 -0.24 -0.04 1.64 1.26 1uv4A1 LEU 184 HG 0.02 0.04 -0.40 -0.04 1.64 1.26 1uv4A1 LEU 184 HD13 0.07 0.00 -0.36 -0.04 0.93 0.60 1uv4A1 LEU 184 HD23 -0.10 -0.00 -0.23 -0.04 0.89 0.52 1uv4A1 GLU 185 H 0.10 0.60 0.34 -0.55 8.60 9.09 1uv4A1 GLU 185 HA 0.12 0.22 0.59 -0.75 4.29 4.47 1uv4A1 GLU 185 HB2 0.20 0.03 0.23 -0.04 2.09 2.51 1uv4A1 GLU 185 HB3 0.21 0.00 -0.13 -0.04 1.99 2.04 1uv4A1 GLU 185 HG2 0.16 -0.01 -0.17 -0.04 2.34 2.27 1uv4A1 GLU 185 HG3 0.13 -0.04 -0.22 -0.04 2.34 2.17 1uv4A1 ALA 186 H 0.13 0.43 0.27 -0.55 8.40 8.69 1uv4A1 ALA 186 HA 0.10 0.16 0.37 -0.75 4.34 4.21 1uv4A1 ALA 186 HB3 0.07 -0.01 -0.05 -0.04 1.41 1.38 1uv4A1 PRO 187 HA 0.01 0.26 0.61 -0.51 4.44 4.81 1uv4A1 PRO 187 HB2 -0.02 -0.03 -0.14 -0.04 2.28 2.04 1uv4A1 PRO 187 HB3 -0.03 -0.06 -0.04 -0.04 2.02 1.85 1uv4A1 PRO 187 HG2 0.04 0.12 -0.15 -0.04 2.03 2.00 1uv4A1 PRO 187 HG3 0.00 -0.06 -0.20 -0.04 2.03 1.73 1uv4A1 PRO 187 HD2 0.09 0.26 0.24 -0.04 3.68 4.23 1uv4A1 PRO 187 HD3 0.06 0.04 -0.09 -0.04 3.65 3.62 1uv4A1 THR 188 H 0.01 0.59 0.41 -0.55 8.28 8.75 1uv4A1 THR 188 HA 0.04 0.11 0.51 -0.75 4.39 4.30 1uv4A1 THR 188 HB 0.04 0.38 0.06 -0.04 4.32 4.77 1uv4A1 THR 188 HG23 0.05 -0.03 -0.12 -0.04 1.22 1.09 1uv4A1 LEU 189 H 0.07 0.29 0.15 -0.55 8.37 8.34 1uv4A1 LEU 189 HA 0.09 0.44 1.09 -0.75 4.35 5.21 1uv4A1 LEU 189 HB2 -0.02 -0.03 -0.31 -0.04 1.64 1.24 1uv4A1 LEU 189 HB3 0.02 -0.05 -0.05 -0.04 1.64 1.52 1uv4A1 LEU 189 HG 0.01 -0.08 -0.19 -0.04 1.64 1.33 1uv4A1 LEU 189 HD13 0.08 -0.00 -0.16 -0.04 0.93 0.80 1uv4A1 LEU 189 HD23 -0.13 0.00 -0.17 -0.04 0.89 0.55 1uv4A1 THR 190 H 0.18 0.58 0.39 -0.55 8.28 8.88 1uv4A1 THR 190 HA 0.13 0.10 0.82 -0.75 4.39 4.69 1uv4A1 THR 190 HB 0.13 0.02 -0.20 -0.04 4.32 4.24 1uv4A1 THR 190 HG23 -0.03 0.01 -0.14 -0.04 1.22 1.02 1uv4A1 TYR 191 H 0.12 0.21 0.18 -0.55 8.29 8.25 1uv4A1 TYR 191 HA -0.27 0.33 1.01 -0.75 4.56 4.87 1uv4A1 TYR 191 HB2 -0.24 -0.01 -0.02 -0.04 3.06 2.75 1uv4A1 TYR 191 HB3 -0.12 0.04 0.12 -0.04 2.98 2.97 1uv4A1 TYR 191 HD2 -0.99 0.04 -0.27 -0.04 7.15 5.89 1uv4A1 TYR 191 HE2 -0.40 0.10 -0.20 -0.04 6.85 6.30 1uv4A1 GLN 192 H -0.51 0.78 0.23 -0.55 8.47 8.42 1uv4A1 GLN 192 HA -0.48 0.10 0.80 -0.75 4.36 4.03 1uv4A1 GLN 192 HB2 -0.93 0.04 -0.04 -0.04 2.15 1.19 1uv4A1 GLN 192 HB3 -0.81 -0.02 -0.04 -0.04 2.02 1.11 1uv4A1 GLN 192 HG2 -0.79 -0.13 -0.62 -0.04 2.40 0.82 1uv4A1 GLN 192 HG3 -2.48 0.05 -0.15 -0.04 2.39 -0.24 1uv4A1 GLN 192 HE21 -0.10 -0.05 0.02 -0.04 6.97 6.80 1uv4A1 GLN 192 HE22 -0.22 -0.11 -0.11 -0.04 7.69 7.21 1uv4A1 ASN 193 H -0.33 0.16 0.10 -0.55 8.53 7.91 1uv4A1 ASN 193 HA -0.19 0.02 0.33 -0.75 4.76 4.16 1uv4A1 ASN 193 HB2 -0.05 0.17 -0.12 -0.04 2.88 2.83 1uv4A1 ASN 193 HB3 -0.06 0.03 0.14 -0.04 2.79 2.86 1uv4A1 ASN 193 HD21 0.01 -0.06 -0.17 -0.04 7.03 6.77 1uv4A1 ASN 193 HD22 -0.02 0.11 -0.20 -0.04 7.74 7.59 1uv4A1 GLY 194 H -0.69 0.03 -0.26 -0.55 8.43 6.96 1uv4A1 GLY 194 HA2 -0.26 -0.04 0.26 -0.51 4.01 3.47 1uv4A1 GLY 194 HA3 -0.32 0.12 0.39 -0.51 4.01 3.70 1uv4A1 TYR 195 H -0.47 0.45 -0.39 -0.55 8.29 7.33 1uv4A1 TYR 195 HA -0.32 0.20 0.97 -0.75 4.56 4.65 1uv4A1 TYR 195 HB2 -0.66 0.08 -0.05 -0.04 3.06 2.39 1uv4A1 TYR 195 HB3 -0.88 0.04 -0.12 -0.04 2.98 1.99 1uv4A1 TYR 195 HD2 -0.29 0.00 -0.20 -0.04 7.15 6.62 1uv4A1 TYR 195 HE2 -0.19 -0.04 -0.05 -0.04 6.85 6.53 1uv4A1 TYR 196 H 0.00 0.64 0.25 -0.55 8.29 8.63 1uv4A1 TYR 196 HA 0.06 0.18 0.92 -0.75 4.56 4.96 1uv4A1 TYR 196 HB2 -0.13 0.08 -0.03 -0.04 3.06 2.93 1uv4A1 TYR 196 HB3 0.15 0.03 -0.10 -0.04 2.98 3.03 1uv4A1 TYR 196 HD2 -0.06 0.13 -0.40 -0.04 7.15 6.78 1uv4A1 TYR 196 HE2 -0.24 0.08 -0.03 -0.04 6.85 6.63 1uv4A1 TYR 197 H 0.25 0.75 0.39 -0.55 8.29 9.13 1uv4A1 TYR 197 HA 0.27 0.27 1.17 -0.75 4.56 5.52 1uv4A1 TYR 197 HB2 0.08 -0.06 0.12 -0.04 3.06 3.16 1uv4A1 TYR 197 HB3 0.29 0.01 -0.02 -0.04 2.98 3.22 1uv4A1 TYR 197 HD2 -0.10 0.01 -0.08 -0.04 7.15 6.94 1uv4A1 TYR 197 HE2 -0.39 0.17 0.01 -0.04 6.85 6.59 1uv4A1 LEU 198 H 0.26 0.52 0.28 -0.55 8.37 8.88 1uv4A1 LEU 198 HA -0.03 0.31 1.05 -0.75 4.35 4.93 1uv4A1 LEU 198 HB2 -0.97 -0.02 -0.07 -0.04 1.64 0.54 1uv4A1 LEU 198 HB3 -0.41 -0.10 0.07 -0.04 1.64 1.16 1uv4A1 LEU 198 HG -0.12 0.01 -0.42 -0.04 1.64 1.06 1uv4A1 LEU 198 HD13 -0.16 0.05 -0.07 -0.04 0.93 0.71 1uv4A1 LEU 198 HD23 -0.35 -0.03 -0.22 -0.04 0.89 0.25 1uv4A1 MET 199 H 0.06 0.65 0.34 -0.55 8.47 8.98 1uv4A1 MET 199 HA 0.08 0.28 1.08 -0.75 4.52 5.21 1uv4A1 MET 199 HB2 0.04 -0.01 0.07 -0.04 2.15 2.21 1uv4A1 MET 199 HB3 0.02 0.01 0.03 -0.04 2.03 2.05 1uv4A1 MET 199 HG2 0.12 0.00 -0.09 -0.04 2.63 2.62 1uv4A1 MET 199 HG3 0.13 -0.03 -0.19 -0.04 2.56 2.44 1uv4A1 MET 199 HE3 -0.22 -0.01 -0.16 -0.04 2.10 1.67 1uv4A1 VAL 200 H -0.05 0.59 0.33 -0.55 8.24 8.56 1uv4A1 VAL 200 HA 0.01 0.31 0.66 -0.75 4.13 4.36 1uv4A1 VAL 200 HB 0.08 0.09 0.01 -0.04 2.12 2.25 1uv4A1 VAL 200 HG13 0.00 -0.02 -0.32 -0.04 0.97 0.59 1uv4A1 VAL 200 HG23 0.06 -0.02 -0.22 -0.04 0.95 0.73 1uv4A1 SER 201 H 0.05 0.63 0.28 -0.55 8.46 8.88 1uv4A1 SER 201 HA 0.01 0.27 1.12 -0.75 4.49 5.13 1uv4A1 SER 201 HB2 0.10 0.01 0.15 -0.04 3.95 4.16 1uv4A1 SER 201 HB3 0.11 0.04 0.10 -0.04 3.93 4.14 1uv4A1 PHE 202 H 0.09 0.49 0.26 -0.55 8.34 8.63 1uv4A1 PHE 202 HA -0.02 0.22 0.91 -0.75 4.62 4.98 1uv4A1 PHE 202 HB2 0.04 -0.09 0.13 -0.04 3.15 3.20 1uv4A1 PHE 202 HB3 0.06 0.06 0.01 -0.04 3.06 3.15 1uv4A1 PHE 202 HD2 -0.01 -0.02 -0.12 -0.04 7.28 7.09 1uv4A1 PHE 202 HE2 -0.04 0.01 -0.13 -0.04 7.38 7.18 1uv4A1 PHE 202 HZ -0.04 0.24 -0.30 -0.04 7.32 7.18 1uv4A1 ASP 203 H 0.04 0.63 0.09 -0.55 8.40 8.61 1uv4A1 ASP 203 HA 0.20 0.09 0.76 -0.75 4.63 4.92 1uv4A1 ASP 203 HB2 0.05 -0.09 -0.25 -0.04 2.71 2.37 1uv4A1 ASP 203 HB3 0.23 0.12 -0.21 -0.04 2.70 2.80 1uv4A1 LYS 204 H 0.06 0.54 0.05 -0.55 8.42 8.52 1uv4A1 LYS 204 HA -0.15 0.08 0.73 -0.75 4.32 4.23 1uv4A1 LYS 204 HB2 -0.07 -0.03 0.14 -0.04 1.87 1.87 1uv4A1 LYS 204 HB3 -0.13 -0.20 0.03 -0.04 1.79 1.44 1uv4A1 LYS 204 HG2 -0.42 -0.02 0.01 -0.04 1.46 0.99 1uv4A1 LYS 204 HG3 -0.68 0.06 -0.04 -0.04 1.46 0.76 1uv4A1 LYS 204 HD2 -0.08 0.13 -0.17 -0.04 1.69 1.53 1uv4A1 LYS 204 HD3 -0.09 -0.08 -0.04 -0.04 1.68 1.42 1uv4A1 LYS 204 HE2 -0.18 -0.06 -0.01 -0.04 2.99 2.69 1uv4A1 LYS 204 HE3 -0.26 0.03 -0.01 -0.04 2.99 2.71 1uv4A1 CYS 205 H -0.06 0.16 0.19 -0.55 8.50 8.25 1uv4A1 CYS 205 HA 0.18 0.19 0.42 -0.75 4.58 4.62 1uv4A1 CYS 205 HB2 0.01 0.01 -0.05 -0.04 2.97 2.89 1uv4A1 CYS 205 HB3 -0.05 0.16 0.08 -0.04 2.97 3.13 1uv4A1 CYS 206 H -0.05 -0.01 -0.08 -0.55 8.50 7.81 1uv4A1 CYS 206 HA -0.04 0.30 0.67 -0.75 4.58 4.76 1uv4A1 CYS 206 HB2 -0.05 -0.00 0.03 -0.04 2.97 2.90 1uv4A1 CYS 206 HB3 -0.04 0.06 0.10 -0.04 2.97 3.05 1uv4A1 ASP 207 H -0.06 0.02 -0.06 -0.55 8.40 7.76 1uv4A1 ASP 207 HA -0.06 0.30 0.77 -0.75 4.63 4.89 1uv4A1 ASP 207 HB2 -0.07 0.10 0.14 -0.04 2.71 2.83 1uv4A1 ASP 207 HB3 -0.08 0.03 0.01 -0.04 2.70 2.61 1uv4A1 GLY 208 H -0.06 0.13 -0.20 -0.55 8.43 7.76 1uv4A1 GLY 208 HA2 -0.07 0.07 0.23 -0.51 4.01 3.74 1uv4A1 GLY 208 HA3 -0.06 0.15 0.44 -0.51 4.01 4.02 1uv4A1 VAL 209 H -0.07 -0.22 -0.35 -0.55 8.24 7.05 1uv4A1 VAL 209 HA -0.10 0.26 0.84 -0.75 4.13 4.38 1uv4A1 VAL 209 HB -0.09 -0.13 -0.01 -0.04 2.12 1.85 1uv4A1 VAL 209 HG13 -0.13 -0.01 -0.13 -0.04 0.97 0.67 1uv4A1 VAL 209 HG23 -0.09 0.06 -0.16 -0.04 0.95 0.72 1uv4A1 ASN 210 H -0.05 -0.12 0.04 -0.55 8.53 7.85 1uv4A1 ASN 210 HA 0.06 0.26 0.35 -0.75 4.76 4.67 1uv4A1 ASN 210 HB2 -0.10 0.14 -0.10 -0.04 2.88 2.78 1uv4A1 ASN 210 HB3 0.08 0.03 0.07 -0.04 2.79 2.93 1uv4A1 ASN 210 HD21 -0.07 -0.01 -0.23 -0.04 7.03 6.69 1uv4A1 ASN 210 HD22 0.05 0.51 0.01 -0.04 7.74 8.28 1uv4A1 SER 211 H -0.03 -0.07 -0.18 -0.55 8.46 7.64 1uv4A1 SER 211 HA 0.11 0.12 0.51 -0.75 4.49 4.47 1uv4A1 SER 211 HB2 -0.13 -0.04 0.02 -0.04 3.95 3.77 1uv4A1 SER 211 HB3 -0.06 0.05 -0.01 -0.04 3.93 3.87 1uv4A1 THR 212 H 0.33 0.08 0.10 -0.55 8.28 8.24 1uv4A1 THR 212 HA 0.23 0.08 0.50 -0.75 4.39 4.45 1uv4A1 THR 212 HB 0.22 0.15 -0.13 -0.04 4.32 4.52 1uv4A1 THR 212 HG23 0.26 -0.05 -0.00 -0.04 1.22 1.39 1uv4A1 TYR 213 H 0.26 0.39 0.30 -0.55 8.29 8.69 1uv4A1 TYR 213 HA 0.10 0.01 0.85 -0.75 4.56 4.77 1uv4A1 TYR 213 HB2 0.08 -0.10 -0.29 -0.04 3.06 2.71 1uv4A1 TYR 213 HB3 0.11 0.12 -0.12 -0.04 2.98 3.05 1uv4A1 TYR 213 HD2 0.07 0.03 -0.05 -0.04 7.15 7.15 1uv4A1 TYR 213 HE2 0.03 -0.01 -0.01 -0.04 6.85 6.81 1uv4A1 LYS 214 H 0.18 0.44 0.39 -0.55 8.42 8.87 1uv4A1 LYS 214 HA -0.07 0.23 0.86 -0.75 4.32 4.59 1uv4A1 LYS 214 HB2 -0.01 -0.08 0.00 -0.04 1.87 1.74 1uv4A1 LYS 214 HB3 -0.13 0.01 0.10 -0.04 1.79 1.73 1uv4A1 LYS 214 HG2 -0.34 0.09 0.05 -0.04 1.46 1.22 1uv4A1 LYS 214 HG3 -0.35 -0.10 -0.41 -0.04 1.46 0.57 1uv4A1 LYS 214 HD2 0.04 -0.01 -0.07 -0.04 1.69 1.61 1uv4A1 LYS 214 HD3 -0.12 -0.03 -0.04 -0.04 1.68 1.45 1uv4A1 LYS 214 HE2 -0.41 0.03 -0.04 -0.04 2.99 2.52 1uv4A1 LYS 214 HE3 0.12 -0.01 -0.08 -0.04 2.99 2.98 1uv4A1 ILE 215 H -0.09 0.54 0.36 -0.55 8.25 8.51 1uv4A1 ILE 215 HA -0.11 0.27 1.09 -0.75 4.18 4.68 1uv4A1 ILE 215 HB -0.07 -0.13 0.17 -0.04 1.89 1.82 1uv4A1 ILE 215 HG12 -0.06 -0.01 -0.10 -0.04 1.49 1.28 1uv4A1 ILE 215 HG13 -0.05 0.08 -0.37 -0.04 1.21 0.83 1uv4A1 ILE 215 HG23 -0.06 0.01 -0.14 -0.04 0.93 0.70 1uv4A1 ILE 215 HD13 -0.04 -0.01 -0.18 -0.04 0.88 0.60 1uv4A1 ALA 216 H -0.24 0.71 0.37 -0.55 8.40 8.69 1uv4A1 ALA 216 HA -0.34 0.27 0.87 -0.75 4.34 4.38 1uv4A1 ALA 216 HB3 -0.90 -0.03 -0.17 -0.04 1.41 0.27 1uv4A1 TYR 217 H -0.48 0.38 0.37 -0.55 8.29 8.00 1uv4A1 TYR 217 HA 0.01 0.37 1.14 -0.75 4.56 5.33 1uv4A1 TYR 217 HB2 0.19 0.07 0.12 -0.04 3.06 3.40 1uv4A1 TYR 217 HB3 0.00 -0.02 -0.15 -0.04 2.98 2.77 1uv4A1 TYR 217 HD2 0.15 -0.02 -0.21 -0.04 7.15 7.03 1uv4A1 TYR 217 HE2 -0.14 -0.02 -0.15 -0.04 6.85 6.50 1uv4A1 GLY 218 H 0.38 0.64 0.41 -0.55 8.43 9.31 1uv4A1 GLY 218 HA2 0.54 0.09 0.50 -0.51 4.01 4.63 1uv4A1 GLY 218 HA3 0.31 -0.05 0.11 -0.51 4.01 3.87 1uv4A1 ARG 219 H 0.34 0.58 0.38 -0.55 8.46 9.20 1uv4A1 ARG 219 HA 0.07 0.33 1.18 -0.75 4.34 5.16 1uv4A1 ARG 219 HB2 -0.94 0.05 0.07 -0.04 1.90 1.04 1uv4A1 ARG 219 HB3 -0.47 -0.03 -0.12 -0.04 1.80 1.15 1uv4A1 ARG 219 HG2 -0.40 0.02 0.06 -0.04 1.67 1.30 1uv4A1 ARG 219 HG3 -0.64 -0.06 -0.27 -0.04 1.67 0.66 1uv4A1 ARG 219 HD2 -2.04 0.04 -0.03 -0.04 3.22 1.15 1uv4A1 ARG 219 HD3 -2.54 0.05 -0.02 -0.04 3.22 0.67 1uv4A1 SER 220 H -0.15 0.63 0.37 -0.55 8.46 8.76 1uv4A1 SER 220 HA -0.12 0.16 0.95 -0.75 4.49 4.73 1uv4A1 SER 220 HB2 -0.79 -0.00 -0.53 -0.04 3.95 2.58 1uv4A1 SER 220 HB3 -1.04 0.06 -0.11 -0.04 3.93 2.80 1uv4A1 LYS 221 H -0.05 0.18 0.18 -0.55 8.42 8.18 1uv4A1 LYS 221 HA -0.15 0.19 0.72 -0.75 4.32 4.32 1uv4A1 LYS 221 HB2 -0.08 -0.02 0.14 -0.04 1.87 1.86 1uv4A1 LYS 221 HB3 -0.12 -0.00 0.10 -0.04 1.79 1.73 1uv4A1 LYS 221 HG2 -0.11 -0.03 0.06 -0.04 1.46 1.35 1uv4A1 LYS 221 HG3 -0.14 -0.01 0.07 -0.04 1.46 1.33 1uv4A1 LYS 221 HD2 -0.34 -0.03 0.13 -0.04 1.69 1.41 1uv4A1 LYS 221 HD3 -0.85 0.14 0.12 -0.04 1.68 1.05 1uv4A1 LYS 221 HE2 -0.55 -0.02 0.00 -0.04 2.99 2.38 1uv4A1 LYS 221 HE3 -0.30 -0.06 0.03 -0.04 2.99 2.62 1uv4A1 SER 222 H -0.14 0.11 -0.14 -0.55 8.46 7.74 1uv4A1 SER 222 HA -0.09 0.21 0.94 -0.75 4.49 4.80 1uv4A1 SER 222 HB2 -0.21 -0.06 0.07 -0.04 3.95 3.71 1uv4A1 SER 222 HB3 -0.12 0.05 -0.04 -0.04 3.93 3.78 1uv4A1 ILE 223 H -0.74 0.15 0.08 -0.55 8.25 7.19 1uv4A1 ILE 223 HA -1.01 0.14 0.21 -0.75 4.18 2.77 1uv4A1 ILE 223 HB -1.90 -0.05 0.02 -0.04 1.89 -0.07 1uv4A1 ILE 223 HG12 -0.83 0.05 -0.15 -0.04 1.49 0.52 1uv4A1 ILE 223 HG13 -0.82 0.03 -0.09 -0.04 1.21 0.28 1uv4A1 ILE 223 HG23 -1.58 0.00 -0.12 -0.04 0.93 -0.81 1uv4A1 ILE 223 HD13 -1.22 -0.00 -0.22 -0.04 0.88 -0.60 1uv4A1 THR 224 H -0.49 -0.00 -0.34 -0.55 8.28 6.90 1uv4A1 THR 224 HA -0.29 0.19 0.46 -0.75 4.39 3.99 1uv4A1 THR 224 HB -0.36 0.05 0.07 -0.04 4.32 4.04 1uv4A1 THR 224 HG23 -1.01 -0.01 -0.11 -0.04 1.22 0.04 1uv4A1 GLY 225 H -0.37 0.26 -0.58 -0.55 8.43 7.19 1uv4A1 GLY 225 HA2 -0.53 0.06 -0.05 -0.51 4.01 2.97 1uv4A1 GLY 225 HA3 -0.08 0.11 0.44 -0.51 4.01 3.98 1uv4A1 PRO 226 HA 0.01 0.10 0.40 -0.51 4.44 4.44 1uv4A1 PRO 226 HB2 0.03 0.00 -0.11 -0.04 2.28 2.16 1uv4A1 PRO 226 HB3 0.02 0.04 0.08 -0.04 2.02 2.12 1uv4A1 PRO 226 HG2 -0.01 0.02 0.09 -0.04 2.03 2.08 1uv4A1 PRO 226 HG3 -0.00 0.03 0.08 -0.04 2.03 2.10 1uv4A1 PRO 226 HD2 -0.06 0.06 0.28 -0.04 3.68 3.92 1uv4A1 PRO 226 HD3 -0.03 0.11 0.24 -0.04 3.65 3.93 1uv4A1 TYR 227 H 0.23 0.21 0.11 -0.55 8.29 8.29 1uv4A1 TYR 227 HA 0.04 0.24 0.43 -0.75 4.56 4.52 1uv4A1 TYR 227 HB2 0.04 0.04 0.11 -0.04 3.06 3.21 1uv4A1 TYR 227 HB3 0.08 -0.03 -0.17 -0.04 2.98 2.81 1uv4A1 TYR 227 HD2 0.01 0.04 -0.19 -0.04 7.15 6.97 1uv4A1 TYR 227 HE2 -0.05 0.04 -0.40 -0.04 6.85 6.40 1uv4A1 LEU 228 H 0.14 0.74 0.39 -0.55 8.37 9.09 1uv4A1 LEU 228 HA 0.12 0.15 0.66 -0.75 4.35 4.53 1uv4A1 LEU 228 HB2 0.16 0.05 0.13 -0.04 1.64 1.94 1uv4A1 LEU 228 HB3 0.13 -0.03 -0.11 -0.04 1.64 1.58 1uv4A1 LEU 228 HG 0.05 0.15 -0.09 -0.04 1.64 1.71 1uv4A1 LEU 228 HD13 0.06 0.00 0.01 -0.04 0.93 0.96 1uv4A1 LEU 228 HD23 0.05 0.02 -0.30 -0.04 0.89 0.62 1uv4A1 ASP 229 H 0.07 0.55 0.19 -0.55 8.40 8.67 1uv4A1 ASP 229 HA 0.04 0.26 0.93 -0.75 4.63 5.10 1uv4A1 ASP 229 HB2 -0.26 -0.06 0.27 -0.04 2.71 2.62 1uv4A1 ASP 229 HB3 -0.06 0.10 0.17 -0.04 2.70 2.87 1uv4A1 LYS 230 H -0.59 0.15 0.19 -0.55 8.42 7.62 1uv4A1 LYS 230 HA -0.65 0.18 0.34 -0.75 4.32 3.44 1uv4A1 LYS 230 HB2 -0.50 -0.06 0.11 -0.04 1.87 1.38 1uv4A1 LYS 230 HB3 -0.45 0.06 0.04 -0.04 1.79 1.39 1uv4A1 LYS 230 HG2 -2.56 0.08 0.00 -0.04 1.46 -1.06 1uv4A1 LYS 230 HG3 -1.28 -0.04 0.07 -0.04 1.46 0.16 1uv4A1 LYS 230 HD2 -0.43 -0.03 -0.00 -0.04 1.69 1.19 1uv4A1 LYS 230 HD3 -0.51 0.02 -0.02 -0.04 1.68 1.13 1uv4A1 LYS 230 HE2 -0.72 0.02 -0.09 -0.04 2.99 2.16 1uv4A1 LYS 230 HE3 -0.27 -0.00 -0.05 -0.04 2.99 2.62 1uv4A1 SER 231 H -0.17 -0.03 -0.25 -0.55 8.46 7.46 1uv4A1 SER 231 HA -0.06 0.21 0.64 -0.75 4.49 4.53 1uv4A1 SER 231 HB2 -0.05 0.07 0.11 -0.04 3.95 4.04 1uv4A1 SER 231 HB3 -0.09 -0.01 0.06 -0.04 3.93 3.85 1uv4A1 GLY 232 H 0.00 0.46 -0.45 -0.55 8.43 7.90 1uv4A1 GLY 232 HA2 0.08 0.09 0.23 -0.51 4.01 3.90 1uv4A1 GLY 232 HA3 0.04 0.16 0.64 -0.51 4.01 4.33 1uv4A1 LYS 233 H 0.00 -0.04 -0.16 -0.55 8.42 7.67 1uv4A1 LYS 233 HA 0.02 0.15 0.55 -0.75 4.32 4.29 1uv4A1 LYS 233 HB2 -0.00 0.07 -0.04 -0.04 1.87 1.86 1uv4A1 LYS 233 HB3 0.00 -0.14 0.05 -0.04 1.79 1.66 1uv4A1 LYS 233 HG2 0.02 0.04 -0.21 -0.04 1.46 1.27 1uv4A1 LYS 233 HG3 0.02 -0.02 0.04 -0.04 1.46 1.46 1uv4A1 LYS 233 HD2 0.00 -0.00 -0.04 -0.04 1.69 1.60 1uv4A1 LYS 233 HD3 0.00 -0.03 -0.10 -0.04 1.68 1.52 1uv4A1 LYS 233 HE2 0.01 0.10 -0.20 -0.04 2.99 2.85 1uv4A1 LYS 233 HE3 0.01 -0.04 -0.02 -0.04 2.99 2.89 1uv4A1 SER 234 H 0.04 0.17 0.19 -0.55 8.46 8.31 1uv4A1 SER 234 HA 0.08 0.30 0.57 -0.75 4.49 4.68 1uv4A1 SER 234 HB2 0.04 0.12 0.10 -0.04 3.95 4.17 1uv4A1 SER 234 HB3 0.04 -0.03 0.13 -0.04 3.93 4.03 1uv4A1 MET 235 H 0.12 0.77 0.33 -0.55 8.47 9.14 1uv4A1 MET 235 HA 0.09 0.15 0.36 -0.75 4.52 4.37 1uv4A1 MET 235 HB2 0.13 0.09 0.15 -0.04 2.15 2.49 1uv4A1 MET 235 HB3 0.09 -0.00 0.09 -0.04 2.03 2.16 1uv4A1 MET 235 HG2 0.10 0.07 -0.47 -0.04 2.63 2.29 1uv4A1 MET 235 HG3 0.16 0.07 -0.24 -0.04 2.56 2.51 1uv4A1 MET 235 HE3 0.03 0.02 -0.21 -0.04 2.10 1.90 1uv4A1 LEU 236 H 0.07 0.07 -0.27 -0.55 8.37 7.69 1uv4A1 LEU 236 HA 0.04 0.04 0.60 -0.75 4.35 4.27 1uv4A1 LEU 236 HB2 0.04 -0.05 -0.05 -0.04 1.64 1.55 1uv4A1 LEU 236 HB3 0.04 0.04 -0.05 -0.04 1.64 1.62 1uv4A1 LEU 236 HG 0.07 0.00 -0.19 -0.04 1.64 1.48 1uv4A1 LEU 236 HD13 0.05 0.03 -0.05 -0.04 0.93 0.92 1uv4A1 LEU 236 HD23 0.04 0.01 -0.42 -0.04 0.89 0.48 1uv4A1 GLU 237 H 0.04 0.33 -0.36 -0.55 8.60 8.06 1uv4A1 GLU 237 HA 0.00 0.17 0.77 -0.75 4.29 4.47 1uv4A1 GLU 237 HB2 0.02 0.01 0.11 -0.04 2.09 2.20 1uv4A1 GLU 237 HB3 0.01 -0.00 0.18 -0.04 1.99 2.13 1uv4A1 GLU 237 HG2 0.02 -0.11 -0.23 -0.04 2.34 1.98 1uv4A1 GLU 237 HG3 0.02 -0.01 -0.01 -0.04 2.34 2.30 1uv4A1 GLY 238 H 0.01 0.44 -0.28 -0.55 8.43 8.07 1uv4A1 GLY 238 HA2 -0.06 0.14 0.36 -0.51 4.01 3.93 1uv4A1 GLY 238 HA3 -0.06 -0.04 0.44 -0.51 4.01 3.84 1uv4A1 GLY 239 H 0.05 0.21 -0.34 -0.55 8.43 7.81 1uv4A1 GLY 239 HA2 0.05 0.04 0.32 -0.51 4.01 3.92 1uv4A1 GLY 239 HA3 0.05 -0.01 -0.17 -0.51 4.01 3.37 1uv4A1 GLY 240 H -0.02 -0.03 -0.02 -0.55 8.43 7.81 1uv4A1 GLY 240 HA2 -0.10 0.17 0.33 -0.51 4.01 3.90 1uv4A1 GLY 240 HA3 -0.10 0.18 0.49 -0.51 4.01 4.07 1uv4A1 THR 241 H -0.50 0.60 0.41 -0.55 8.28 8.25 1uv4A1 THR 241 HA -0.36 0.10 0.80 -0.75 4.39 4.18 1uv4A1 THR 241 HB -1.47 0.09 0.19 -0.04 4.32 3.09 1uv4A1 THR 241 HG23 -0.47 0.05 -0.05 -0.04 1.22 0.71 1uv4A1 ILE 242 H -0.27 0.14 0.18 -0.55 8.25 7.75 1uv4A1 ILE 242 HA -0.26 0.23 0.60 -0.75 4.18 4.00 1uv4A1 ILE 242 HB -0.13 -0.03 0.12 -0.04 1.89 1.81 1uv4A1 ILE 242 HG12 -0.13 -0.02 0.05 -0.04 1.49 1.35 1uv4A1 ILE 242 HG13 -0.08 0.00 -0.02 -0.04 1.21 1.07 1uv4A1 ILE 242 HG23 -0.12 0.01 -0.24 -0.04 0.93 0.54 1uv4A1 ILE 242 HD13 -0.22 0.00 -0.25 -0.04 0.88 0.37 1uv4A1 LEU 243 H -0.09 0.53 0.37 -0.55 8.37 8.64 1uv4A1 LEU 243 HA -0.01 0.10 0.68 -0.75 4.35 4.37 1uv4A1 LEU 243 HB2 0.12 0.01 -0.01 -0.04 1.64 1.73 1uv4A1 LEU 243 HB3 -0.10 0.02 0.04 -0.04 1.64 1.56 1uv4A1 LEU 243 HG -0.68 -0.04 -0.20 -0.04 1.64 0.68 1uv4A1 LEU 243 HD13 -0.52 -0.01 -0.09 -0.04 0.93 0.27 1uv4A1 LEU 243 HD23 -0.46 0.00 -0.18 -0.04 0.89 0.21 1uv4A1 ASP 244 H -0.09 0.32 0.10 -0.55 8.40 8.18 1uv4A1 ASP 244 HA 0.01 0.09 0.80 -0.75 4.63 4.78 1uv4A1 ASP 244 HB2 0.06 0.07 -0.45 -0.04 2.71 2.34 1uv4A1 ASP 244 HB3 -0.00 -0.03 0.03 -0.04 2.70 2.65 1uv4A1 SER 245 H -0.04 0.22 0.17 -0.55 8.46 8.26 1uv4A1 SER 245 HA -0.13 0.27 0.99 -0.75 4.49 4.86 1uv4A1 SER 245 HB2 -0.21 0.03 0.21 -0.04 3.95 3.94 1uv4A1 SER 245 HB3 -0.14 -0.04 0.02 -0.04 3.93 3.73 1uv4A1 GLY 246 H 0.00 -0.05 0.03 -0.55 8.43 7.86 1uv4A1 GLY 246 HA2 0.07 -0.02 0.31 -0.51 4.01 3.86 1uv4A1 GLY 246 HA3 0.05 0.20 0.72 -0.51 4.01 4.47 1uv4A1 ASN 247 H 0.10 0.60 0.26 -0.55 8.53 8.95 1uv4A1 ASN 247 HA 0.01 0.18 0.56 -0.75 4.76 4.76 1uv4A1 ASN 247 HB2 0.01 -0.08 0.21 -0.04 2.88 2.98 1uv4A1 ASN 247 HB3 0.02 0.17 -0.11 -0.04 2.79 2.82 1uv4A1 ASN 247 HD21 0.11 0.01 -0.04 -0.04 7.03 7.07 1uv4A1 ASN 247 HD22 -0.01 0.08 -0.05 -0.04 7.74 7.72 1uv4A1 ASP 248 H -0.00 0.14 0.15 -0.55 8.40 8.13 1uv4A1 ASP 248 HA -0.02 0.12 0.20 -0.75 4.63 4.18 1uv4A1 ASP 248 HB2 -0.04 -0.06 0.05 -0.04 2.71 2.62 1uv4A1 ASP 248 HB3 -0.04 0.05 -0.02 -0.04 2.70 2.65 1uv4A1 GLN 249 H -0.08 -0.02 -0.10 -0.55 8.47 7.72 1uv4A1 GLN 249 HA -0.25 0.19 0.82 -0.75 4.36 4.37 1uv4A1 GLN 249 HB2 -0.27 0.03 0.02 -0.04 2.15 1.89 1uv4A1 GLN 249 HB3 -0.47 -0.02 0.03 -0.04 2.02 1.53 1uv4A1 GLN 249 HG2 -1.81 0.02 -0.30 -0.04 2.40 0.27 1uv4A1 GLN 249 HG3 -0.61 -0.12 0.03 -0.04 2.39 1.65 1uv4A1 GLN 249 HE21 -0.13 0.07 -0.06 -0.04 6.97 6.81 1uv4A1 GLN 249 HE22 -0.74 -0.10 -0.08 -0.04 7.69 6.73 1uv4A1 TRP 250 H 0.06 -0.03 -0.18 -0.55 7.97 7.28 1uv4A1 TRP 250 HA 0.04 0.25 0.55 -0.75 4.62 4.71 1uv4A1 TRP 250 HB2 -0.06 -0.10 0.05 -0.04 3.23 3.08 1uv4A1 TRP 250 HB3 -0.01 0.08 -0.14 -0.04 3.23 3.12 1uv4A1 TRP 250 HD1 -0.13 -0.05 -0.08 -0.04 7.22 6.92 1uv4A1 TRP 250 HE1 0.01 0.02 -0.10 -0.04 10.20 10.08 1uv4A1 TRP 250 HE3 0.03 0.01 -0.61 -0.04 7.59 6.97 1uv4A1 TRP 250 HZ2 0.10 0.01 -0.11 -0.04 7.44 7.41 1uv4A1 TRP 250 HZ3 0.02 0.14 -0.10 -0.04 7.13 7.15 1uv4A1 TRP 250 HH2 0.06 0.11 -0.11 -0.04 7.19 7.20 1uv4A1 LYS 251 H 0.29 0.62 0.28 -0.55 8.42 9.05 1uv4A1 LYS 251 HA 0.15 0.17 0.84 -0.75 4.32 4.72 1uv4A1 LYS 251 HB2 0.18 -0.01 0.04 -0.04 1.87 2.04 1uv4A1 LYS 251 HB3 0.12 0.00 0.05 -0.04 1.79 1.92 1uv4A1 LYS 251 HG2 0.05 0.05 -0.17 -0.04 1.46 1.35 1uv4A1 LYS 251 HG3 0.04 -0.03 -0.06 -0.04 1.46 1.37 1uv4A1 LYS 251 HD2 0.06 -0.02 -0.04 -0.04 1.69 1.65 1uv4A1 LYS 251 HD3 0.06 0.09 -0.43 -0.04 1.68 1.36 1uv4A1 LYS 251 HE2 -0.02 0.08 -0.13 -0.04 2.99 2.88 1uv4A1 LYS 251 HE3 0.01 -0.07 -0.04 -0.04 2.99 2.84 1uv4A1 GLY 252 H 0.17 0.20 0.14 -0.55 8.43 8.39 1uv4A1 GLY 252 HA2 0.24 0.11 0.31 -0.51 4.01 4.16 1uv4A1 GLY 252 HA3 0.33 0.04 0.24 -0.51 4.01 4.12 1uv4A1 PRO 253 HA 0.06 0.32 0.48 -0.51 4.44 4.79 1uv4A1 PRO 253 HB2 -0.01 0.01 -0.18 -0.04 2.28 2.05 1uv4A1 PRO 253 HB3 0.01 -0.03 -0.09 -0.04 2.02 1.87 1uv4A1 PRO 253 HG2 0.00 0.09 -0.21 -0.04 2.03 1.87 1uv4A1 PRO 253 HG3 0.02 -0.21 -0.27 -0.04 2.03 1.53 1uv4A1 PRO 253 HD2 0.06 0.31 -0.10 -0.04 3.68 3.90 1uv4A1 PRO 253 HD3 0.11 0.03 -0.34 -0.04 3.65 3.40 1uv4A1 GLY 254 H -0.28 0.58 0.31 -0.55 8.43 8.50 1uv4A1 GLY 254 HA2 -0.10 0.03 0.31 -0.51 4.01 3.74 1uv4A1 GLY 254 HA3 -0.05 0.03 0.40 -0.51 4.01 3.88 1uv4A1 GLY 255 H -0.08 0.17 0.17 -0.55 8.43 8.14 1uv4A1 GLY 255 HA2 -0.03 0.10 0.36 -0.51 4.01 3.92 1uv4A1 GLY 255 HA3 -0.22 -0.09 0.53 -0.51 4.01 3.72 1uv4A1 GLN 256 H -0.09 -0.06 -0.18 -0.55 8.47 7.60 1uv4A1 GLN 256 HA -0.09 0.31 0.44 -0.75 4.36 4.27 1uv4A1 GLN 256 HB2 -0.05 0.03 -0.05 -0.04 2.15 2.04 1uv4A1 GLN 256 HB3 -0.08 -0.12 -0.08 -0.04 2.02 1.70 1uv4A1 GLN 256 HG2 -0.01 0.04 -0.31 -0.04 2.40 2.08 1uv4A1 GLN 256 HG3 -0.03 -0.07 -0.16 -0.04 2.39 2.08 1uv4A1 GLN 256 HE21 0.01 0.06 -0.09 -0.04 6.97 6.91 1uv4A1 GLN 256 HE22 0.01 0.01 -0.18 -0.04 7.69 7.48 1uv4A1 ASP 257 H -0.04 0.58 0.33 -0.55 8.40 8.72 1uv4A1 ASP 257 HA 0.04 0.07 0.69 -0.75 4.63 4.68 1uv4A1 ASP 257 HB2 0.03 0.33 -0.07 -0.04 2.71 2.96 1uv4A1 ASP 257 HB3 0.03 -0.18 0.10 -0.04 2.70 2.61 1uv4A1 ILE 258 H 0.08 0.17 0.15 -0.55 8.25 8.10 1uv4A1 ILE 258 HA 0.06 0.25 0.88 -0.75 4.18 4.62 1uv4A1 ILE 258 HB 0.15 -0.00 0.09 -0.04 1.89 2.08 1uv4A1 ILE 258 HG12 0.14 0.04 -0.12 -0.04 1.49 1.50 1uv4A1 ILE 258 HG13 0.09 -0.04 -0.16 -0.04 1.21 1.07 1uv4A1 ILE 258 HG23 0.23 -0.03 -0.25 -0.04 0.93 0.83 1uv4A1 ILE 258 HD13 0.27 -0.01 -0.20 -0.04 0.88 0.91 1uv4A1 VAL 259 H 0.07 0.74 0.30 -0.55 8.24 8.80 1uv4A1 VAL 259 HA 0.18 0.15 0.85 -0.75 4.13 4.55 1uv4A1 VAL 259 HB 0.03 0.01 0.02 -0.04 2.12 2.13 1uv4A1 VAL 259 HG13 0.28 -0.01 -0.11 -0.04 0.97 1.09 1uv4A1 VAL 259 HG23 0.09 0.03 -0.17 -0.04 0.95 0.87 1uv4A1 ASN 260 H 0.21 0.23 0.19 -0.55 8.53 8.61 1uv4A1 ASN 260 HA 0.18 0.06 0.37 -0.75 4.76 4.61 1uv4A1 ASN 260 HB2 0.24 0.12 -0.12 -0.04 2.88 3.08 1uv4A1 ASN 260 HB3 0.20 0.02 0.22 -0.04 2.79 3.18 1uv4A1 ASN 260 HD21 0.30 -0.03 -0.01 -0.04 7.03 7.24 1uv4A1 ASN 260 HD22 0.32 0.03 -0.03 -0.04 7.74 8.03 1uv4A1 GLY 261 H 0.17 0.09 -0.59 -0.55 8.43 7.57 1uv4A1 GLY 261 HA2 0.17 0.00 0.24 -0.51 4.01 3.92 1uv4A1 GLY 261 HA3 0.14 0.11 0.47 -0.51 4.01 4.22 1uv4A1 ASN 262 H 0.19 0.27 -0.57 -0.55 8.53 7.87 1uv4A1 ASN 262 HA 0.22 0.16 0.81 -0.75 4.76 5.20 1uv4A1 ASN 262 HB2 0.14 0.09 0.25 -0.04 2.88 3.31 1uv4A1 ASN 262 HB3 0.23 -0.04 -0.12 -0.04 2.79 2.82 1uv4A1 ASN 262 HD21 0.15 -0.03 0.02 -0.04 7.03 7.13 1uv4A1 ASN 262 HD22 0.14 -0.03 0.03 -0.04 7.74 7.84 1uv4A1 ILE 263 H 0.09 0.29 0.10 -0.55 8.25 8.18 1uv4A1 ILE 263 HA -0.14 0.23 0.83 -0.75 4.18 4.35 1uv4A1 ILE 263 HB -0.04 -0.03 0.09 -0.04 1.89 1.87 1uv4A1 ILE 263 HG12 0.06 0.08 -0.03 -0.04 1.49 1.57 1uv4A1 ILE 263 HG13 0.14 -0.09 -0.43 -0.04 1.21 0.78 1uv4A1 ILE 263 HG23 -0.64 0.00 -0.22 -0.04 0.93 0.03 1uv4A1 ILE 263 HD13 0.22 -0.02 -0.13 -0.04 0.88 0.91 1uv4A1 LEU 264 H -0.20 0.71 0.18 -0.55 8.37 8.52 1uv4A1 LEU 264 HA -0.07 0.26 1.04 -0.75 4.35 4.82 1uv4A1 LEU 264 HB2 -0.09 -0.04 -0.14 -0.04 1.64 1.32 1uv4A1 LEU 264 HB3 0.02 -0.04 0.01 -0.04 1.64 1.59 1uv4A1 LEU 264 HG -0.05 0.16 -0.28 -0.04 1.64 1.43 1uv4A1 LEU 264 HD13 -0.05 0.02 -0.22 -0.04 0.93 0.65 1uv4A1 LEU 264 HD23 -0.03 -0.03 -0.20 -0.04 0.89 0.60 1uv4A1 VAL 265 H -0.10 0.59 0.29 -0.55 8.24 8.47 1uv4A1 VAL 265 HA -0.20 0.29 1.05 -0.75 4.13 4.51 1uv4A1 VAL 265 HB -0.15 0.02 -0.03 -0.04 2.12 1.92 1uv4A1 VAL 265 HG13 -0.21 -0.03 -0.17 -0.04 0.97 0.53 1uv4A1 VAL 265 HG23 -0.05 0.04 -0.15 -0.04 0.95 0.75 1uv4A1 ARG 266 H -0.15 0.56 0.36 -0.55 8.46 8.67 1uv4A1 ARG 266 HA -0.16 0.22 0.32 -0.75 4.34 3.97 1uv4A1 ARG 266 HB2 -0.19 0.09 0.06 -0.04 1.90 1.82 1uv4A1 ARG 266 HB3 -0.11 -0.01 -0.34 -0.04 1.80 1.30 1uv4A1 ARG 266 HG2 -0.16 -0.07 -0.35 -0.04 1.67 1.05 1uv4A1 ARG 266 HG3 -0.12 -0.02 -0.17 -0.04 1.67 1.32 1uv4A1 ARG 266 HD2 -0.02 -0.02 -0.28 -0.04 3.22 2.86 1uv4A1 ARG 266 HD3 -0.11 0.09 -0.33 -0.04 3.22 2.82 1uv4A1 HIS 267 H -0.47 0.54 0.30 -0.55 8.41 8.23 1uv4A1 HIS 267 HA -0.15 0.45 1.08 -0.75 4.63 5.26 1uv4A1 HIS 267 HB2 -0.15 0.04 0.14 -0.04 3.26 3.25 1uv4A1 HIS 267 HB3 -0.08 -0.04 0.05 -0.04 3.20 3.09 1uv4A1 HIS 267 HD2 -0.15 0.09 -0.36 -0.04 6.97 6.51 1uv4A1 HIS 267 HE1 -0.16 -0.00 -0.05 -0.04 7.75 7.49 1uv4A1 ALA 268 H -0.04 0.50 0.34 -0.55 8.40 8.65 1uv4A1 ALA 268 HA 0.15 0.24 0.13 -0.75 4.34 4.10 1uv4A1 ALA 268 HB3 0.08 -0.01 -0.15 -0.04 1.41 1.29 1uv4A1 TYR 269 H 0.45 0.79 0.18 -0.55 8.29 9.16 1uv4A1 TYR 269 HA 0.20 0.23 0.35 -0.75 4.56 4.59 1uv4A1 TYR 269 HB2 0.11 -0.07 0.04 -0.04 3.06 3.10 1uv4A1 TYR 269 HB3 0.06 0.08 -0.18 -0.04 2.98 2.89 1uv4A1 TYR 269 HD2 0.08 0.33 -0.06 -0.04 7.15 7.45 1uv4A1 TYR 269 HE2 -0.01 0.05 -0.01 -0.04 6.85 6.83 1uv4A1 ASP 270 H 0.19 0.65 0.04 -0.55 8.40 8.73 1uv4A1 ASP 270 HA -0.63 0.12 0.36 -0.75 4.63 3.73 1uv4A1 ASP 270 HB2 0.14 0.18 0.09 -0.04 2.71 3.09 1uv4A1 ASP 270 HB3 -0.03 -0.01 0.19 -0.04 2.70 2.81 1uv4A1 ALA 271 H -0.30 0.92 0.45 -0.55 8.40 8.92 1uv4A1 ALA 271 HA -0.08 0.03 0.51 -0.75 4.34 4.05 1uv4A1 ALA 271 HB3 -0.11 0.01 0.18 -0.04 1.41 1.44 1uv4A1 ASN 272 H -0.30 0.06 -0.31 -0.55 8.53 7.44 1uv4A1 ASN 272 HA -0.10 0.22 0.88 -0.75 4.76 5.01 1uv4A1 ASN 272 HB2 -0.18 -0.02 0.02 -0.04 2.88 2.66 1uv4A1 ASN 272 HB3 -0.19 0.01 -0.02 -0.04 2.79 2.55 1uv4A1 ASN 272 HD21 -0.03 -0.00 0.04 -0.04 7.03 6.99 1uv4A1 ASN 272 HD22 -0.06 0.00 -0.02 -0.04 7.74 7.63 1uv4A1 ASP 273 H -0.10 0.39 -0.37 -0.55 8.40 7.77 1uv4A1 ASP 273 HA -0.02 0.14 0.54 -0.75 4.63 4.53 1uv4A1 ASP 273 HB2 -0.01 0.08 -0.12 -0.04 2.71 2.62 1uv4A1 ASP 273 HB3 -0.00 -0.03 0.10 -0.04 2.70 2.73 1uv4A1 ASN 274 H -0.03 0.19 -0.06 -0.55 8.53 8.08 1uv4A1 ASN 274 HA -0.01 0.04 0.26 -0.75 4.76 4.30 1uv4A1 ASN 274 HB2 0.01 0.09 -0.38 -0.04 2.88 2.56 1uv4A1 ASN 274 HB3 0.00 0.02 0.15 -0.04 2.79 2.92 1uv4A1 ASN 274 HD21 -0.00 0.00 -0.03 -0.04 7.03 6.96 1uv4A1 ASN 274 HD22 0.00 0.02 -0.07 -0.04 7.74 7.66 1uv4A1 GLY 275 H -0.01 0.34 -0.25 -0.55 8.43 7.97 1uv4A1 GLY 275 HA2 0.07 -0.03 -0.05 -0.51 4.01 3.50 1uv4A1 GLY 275 HA3 0.03 0.02 0.35 -0.51 4.01 3.91 1uv4A1 ILE 276 H 0.06 0.44 -0.16 -0.55 8.25 8.04 1uv4A1 ILE 276 HA 0.08 0.10 0.45 -0.75 4.18 4.05 1uv4A1 ILE 276 HB 0.07 0.03 0.14 -0.04 1.89 2.09 1uv4A1 ILE 276 HG12 0.03 -0.05 0.00 -0.04 1.49 1.43 1uv4A1 ILE 276 HG13 0.03 0.05 -0.07 -0.04 1.21 1.18 1uv4A1 ILE 276 HG23 0.04 -0.00 -0.13 -0.04 0.93 0.80 1uv4A1 ILE 276 HD13 0.03 -0.01 -0.02 -0.04 0.88 0.83 1uv4A1 PRO 277 HA -0.22 0.22 0.57 -0.51 4.44 4.50 1uv4A1 PRO 277 HB2 -0.29 0.18 -0.03 -0.04 2.28 2.10 1uv4A1 PRO 277 HB3 -0.99 -0.00 0.00 -0.04 2.02 0.99 1uv4A1 PRO 277 HG2 -0.12 -0.06 -0.02 -0.04 2.03 1.78 1uv4A1 PRO 277 HG3 -0.29 0.01 0.01 -0.04 2.03 1.71 1uv4A1 PRO 277 HD2 -0.01 0.02 0.21 -0.04 3.68 3.86 1uv4A1 PRO 277 HD3 0.09 0.21 0.21 -0.04 3.65 4.11 1uv4A1 LYS 278 H 0.05 0.58 0.41 -0.55 8.42 8.91 1uv4A1 LYS 278 HA -0.00 0.16 0.91 -0.75 4.32 4.64 1uv4A1 LYS 278 HB2 0.01 -0.09 -0.07 -0.04 1.87 1.68 1uv4A1 LYS 278 HB3 0.06 0.06 0.01 -0.04 1.79 1.88 1uv4A1 LYS 278 HG2 0.33 0.06 -0.21 -0.04 1.46 1.60 1uv4A1 LYS 278 HG3 0.48 -0.04 -0.11 -0.04 1.46 1.75 1uv4A1 LYS 278 HD2 0.12 0.15 -0.49 -0.04 1.69 1.42 1uv4A1 LYS 278 HD3 0.09 0.01 -0.53 -0.04 1.68 1.20 1uv4A1 LYS 278 HE2 0.10 0.14 -0.14 -0.04 2.99 3.05 1uv4A1 LYS 278 HE3 0.11 -0.08 -0.13 -0.04 2.99 2.84 1uv4A1 LEU 279 H -0.11 0.19 0.14 -0.55 8.37 8.05 1uv4A1 LEU 279 HA -0.14 0.30 0.74 -0.75 4.35 4.50 1uv4A1 LEU 279 HB2 -0.28 0.01 -0.03 -0.04 1.64 1.30 1uv4A1 LEU 279 HB3 -0.26 -0.10 0.13 -0.04 1.64 1.37 1uv4A1 LEU 279 HG -0.15 0.02 -0.35 -0.04 1.64 1.12 1uv4A1 LEU 279 HD13 -0.19 0.04 -0.10 -0.04 0.93 0.65 1uv4A1 LEU 279 HD23 -0.64 -0.02 -0.19 -0.04 0.89 -0.00 1uv4A1 LEU 280 H -0.19 0.75 0.39 -0.55 8.37 8.78 1uv4A1 LEU 280 HA -0.15 0.26 0.98 -0.75 4.35 4.68 1uv4A1 LEU 280 HB2 -0.27 0.03 -0.05 -0.04 1.64 1.31 1uv4A1 LEU 280 HB3 -0.12 -0.03 -0.12 -0.04 1.64 1.33 1uv4A1 LEU 280 HG -0.43 0.00 -0.14 -0.04 1.64 1.03 1uv4A1 LEU 280 HD13 -1.03 -0.01 -0.42 -0.04 0.93 -0.57 1uv4A1 LEU 280 HD23 -1.10 -0.02 -0.18 -0.04 0.89 -0.46 1uv4A1 ILE 281 H -0.16 0.37 0.27 -0.55 8.25 8.18 1uv4A1 ILE 281 HA -0.34 0.37 1.13 -0.75 4.18 4.58 1uv4A1 ILE 281 HB -0.36 -0.03 0.06 -0.04 1.89 1.52 1uv4A1 ILE 281 HG12 -0.26 0.03 -0.26 -0.04 1.49 0.96 1uv4A1 ILE 281 HG13 -0.14 -0.03 -0.48 -0.04 1.21 0.53 1uv4A1 ILE 281 HG23 -1.43 -0.01 -0.18 -0.04 0.93 -0.72 1uv4A1 ILE 281 HD13 -0.06 0.02 -0.14 -0.04 0.88 0.67 1uv4A1 ASN 282 H -0.37 0.65 0.33 -0.55 8.53 8.60 1uv4A1 ASN 282 HA -0.20 0.18 1.08 -0.75 4.76 5.07 1uv4A1 ASN 282 HB2 -0.16 -0.04 0.00 -0.04 2.88 2.63 1uv4A1 ASN 282 HB3 -0.08 0.27 -0.02 -0.04 2.79 2.92 1uv4A1 ASN 282 HD21 -0.33 -0.10 -0.11 -0.04 7.03 6.44 1uv4A1 ASN 282 HD22 -0.21 0.09 -0.15 -0.04 7.74 7.43 1uv4A1 ASP 283 H 0.09 0.57 0.28 -0.55 8.40 8.79 1uv4A1 ASP 283 HA 0.02 0.13 0.80 -0.75 4.63 4.83 1uv4A1 ASP 283 HB2 0.11 0.07 0.10 -0.04 2.71 2.95 1uv4A1 ASP 283 HB3 0.11 0.00 0.07 -0.04 2.70 2.84 1uv4A1 LEU 284 H -0.02 0.60 0.09 -0.55 8.37 8.50 1uv4A1 LEU 284 HA -0.21 0.24 0.82 -0.75 4.35 4.45 1uv4A1 LEU 284 HB2 -0.15 -0.09 -0.37 -0.04 1.64 0.99 1uv4A1 LEU 284 HB3 -0.23 -0.02 -0.05 -0.04 1.64 1.30 1uv4A1 LEU 284 HG -1.18 0.01 -0.15 -0.04 1.64 0.28 1uv4A1 LEU 284 HD13 -0.44 0.03 -0.18 -0.04 0.93 0.29 1uv4A1 LEU 284 HD23 -0.13 0.02 -0.24 -0.04 0.89 0.49 1uv4A1 ASN 285 H -0.34 0.77 0.33 -0.55 8.53 8.75 1uv4A1 ASN 285 HA -0.12 0.08 0.80 -0.75 4.76 4.76 1uv4A1 ASN 285 HB2 -0.07 0.05 -0.01 -0.04 2.88 2.82 1uv4A1 ASN 285 HB3 -0.14 0.12 0.10 -0.04 2.79 2.83 1uv4A1 ASN 285 HD21 0.00 -0.03 -0.01 -0.04 7.03 6.96 1uv4A1 ASN 285 HD22 -0.01 0.09 -0.03 -0.04 7.74 7.75 1uv4A1 TRP 286 H 0.10 0.15 0.11 -0.55 7.97 7.79 1uv4A1 TRP 286 HA -0.18 0.36 0.79 -0.75 4.62 4.85 1uv4A1 TRP 286 HB2 -0.11 -0.01 -0.12 -0.04 3.23 2.95 1uv4A1 TRP 286 HB3 -0.23 0.01 -0.05 -0.04 3.23 2.93 1uv4A1 TRP 286 HD1 -0.08 -0.02 -0.13 -0.04 7.22 6.96 1uv4A1 TRP 286 HE1 -0.07 0.51 0.01 -0.04 10.20 10.62 1uv4A1 TRP 286 HE3 -0.93 -0.03 -0.28 -0.04 7.59 6.31 1uv4A1 TRP 286 HZ2 -0.11 0.05 -0.10 -0.04 7.44 7.24 1uv4A1 TRP 286 HZ3 -1.16 0.01 -0.10 -0.04 7.13 5.83 1uv4A1 TRP 286 HH2 -0.19 -0.01 -0.13 -0.04 7.19 6.82 1uv4A1 SER 287 H 0.05 0.08 0.02 -0.55 8.46 8.06 1uv4A1 SER 287 HA 0.08 0.10 0.29 -0.75 4.49 4.20 1uv4A1 SER 287 HB2 0.04 0.04 0.08 -0.04 3.95 4.07 1uv4A1 SER 287 HB3 0.05 -0.01 0.11 -0.04 3.93 4.04 1uv4A1 SER 288 H 0.05 0.11 -0.46 -0.55 8.46 7.61 1uv4A1 SER 288 HA 0.08 0.14 0.52 -0.75 4.49 4.47 1uv4A1 SER 288 HB2 0.14 0.01 0.05 -0.04 3.95 4.11 1uv4A1 SER 288 HB3 0.06 -0.03 -0.02 -0.04 3.93 3.90 1uv4A1 GLY 289 H 0.07 0.48 -0.28 -0.55 8.43 8.14 1uv4A1 GLY 289 HA2 -0.08 0.03 0.28 -0.51 4.01 3.72 1uv4A1 GLY 289 HA3 -0.17 0.15 0.79 -0.51 4.01 4.27 1uv4A1 TRP 290 H 0.16 0.05 -0.19 -0.55 7.97 7.45 1uv4A1 TRP 290 HA 0.12 0.19 0.71 -0.75 4.62 4.88 1uv4A1 TRP 290 HB2 -0.01 -0.04 -0.19 -0.04 3.23 2.94 1uv4A1 TRP 290 HB3 0.00 0.06 -0.05 -0.04 3.23 3.21 1uv4A1 TRP 290 HD1 0.04 0.06 -0.30 -0.04 7.22 6.98 1uv4A1 TRP 290 HE1 0.02 0.01 -0.08 -0.04 10.20 10.10 1uv4A1 TRP 290 HE3 0.45 0.02 -0.07 -0.04 7.59 7.95 1uv4A1 TRP 290 HZ2 -0.02 0.02 -0.09 -0.04 7.44 7.32 1uv4A1 TRP 290 HZ3 0.20 -0.08 -0.00 -0.04 7.13 7.20 1uv4A1 TRP 290 HH2 -0.00 0.15 -0.22 -0.04 7.19 7.07 1uv4A1 PRO 291 HA -1.03 0.24 0.62 -0.51 4.44 3.75 1uv4A1 PRO 291 HB2 -0.83 0.01 -0.15 -0.04 2.28 1.26 1uv4A1 PRO 291 HB3 -1.36 0.03 -0.00 -0.04 2.02 0.65 1uv4A1 PRO 291 HG2 -1.74 -0.00 -0.01 -0.04 2.03 0.24 1uv4A1 PRO 291 HG3 -0.50 0.04 -0.03 -0.04 2.03 1.50 1uv4A1 PRO 291 HD2 -0.10 0.06 0.13 -0.04 3.68 3.72 1uv4A1 PRO 291 HD3 -0.08 0.16 0.08 -0.04 3.65 3.77 1uv4A1 SER 292 H -0.61 0.47 0.37 -0.55 8.46 8.15 1uv4A1 SER 292 HA -0.33 0.07 0.66 -0.75 4.49 4.14 1uv4A1 SER 292 HB2 -0.13 0.02 -0.22 -0.04 3.95 3.58 1uv4A1 SER 292 HB3 -0.16 -0.10 -0.02 -0.04 3.93 3.62 1uv4A1 TYR 293 H -0.25 0.12 0.04 -0.55 8.29 7.65 1uv4A1 TYR 293 HA -0.14 0.37 0.60 -0.75 4.56 4.64 1uv4A1 TYR 293 HB2 -0.08 -0.02 0.09 -0.04 3.06 3.02 1uv4A1 TYR 293 HB3 -0.06 0.03 0.05 -0.04 2.98 2.96 1uv4A1 TYR 293 HD2 -0.11 0.12 -0.02 -0.04 7.15 7.10 1uv4A1 TYR 293 HE2 -0.12 -0.00 -0.12 -0.04 6.85 6.56