============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 5 1.000 42.104 29.764 25.548 -99.200 -91.000 HIS 7 0.900 43.159 36.113 23.251 -99.200 -91.000 PHE 15 1.000 33.217 50.809 11.091 -99.200 -91.000 TYR 17 0.840 29.942 58.032 4.316 -99.200 -91.000 PHE 23 1.000 32.744 58.077 16.036 -99.200 -91.000 HIS 47 0.900 46.036 70.688 7.240 -99.200 -91.000 TRP 58 1.040 48.404 71.327 11.297 -99.200 -91.000 TRP6 58 1.020 46.483 69.993 11.056 -99.200 -91.000 HIS 59 0.900 56.721 65.287 11.971 -99.200 -91.000 HIS 64 0.900 60.214 49.747 4.285 -99.200 -91.000 TYR 114 0.840 40.441 48.347 3.119 -99.200 -91.000 TRP 123 1.040 58.813 48.471 19.042 -99.200 -91.000 TRP6 123 1.020 60.973 48.219 18.089 -99.200 -91.000 TYR 146 0.840 39.188 50.937 12.009 -99.200 -91.000 HIS 167 0.900 47.776 41.508 8.830 -99.200 -91.000 TRP 173 1.040 48.498 28.804 9.179 -99.200 -91.000 TRP6 173 1.020 46.878 28.425 7.510 -99.200 -91.000 HIS 204 0.900 33.646 57.244 -4.465 -99.200 -91.000 TYR 214 0.840 33.315 44.249 11.942 -99.200 -91.000 TYR 217 0.840 39.682 46.759 15.742 -99.200 -91.000 PHE 223 1.000 49.977 39.858 12.165 -99.200 -91.000 HIS 231 0.900 50.718 35.805 3.683 -99.200 -91.000 HIS 232 0.900 51.054 37.595 8.591 -99.200 -91.000 HIS 236 0.900 60.802 40.260 8.320 -99.200 -91.000 PHE 242 1.000 64.878 38.143 -2.536 -99.200 -91.000 HIS 246 0.900 53.114 45.202 3.769 -99.200 -91.000 HIS 250 0.900 51.523 40.726 3.836 -99.200 -91.000 TYR 256 0.840 50.422 30.522 -5.242 -99.200 -91.000 PHE 260 1.000 53.864 24.287 2.745 -99.200 -91.000 PHE 276 1.000 37.324 32.842 2.154 -99.200 -91.000 TYR 301 0.840 53.138 42.531 -7.997 -99.200 -91.000 PHE 303 1.000 61.124 36.180 -5.476 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3iv7B1 ASN 3 HA 0.01 -0.10 0.23 -0.75 4.76 4.15 3iv7B1 SER 4 H 0.02 0.09 0.10 -0.55 8.46 8.12 3iv7B1 SER 4 HA 0.02 0.16 0.85 -0.75 4.49 4.76 3iv7B1 SER 4 HB2 0.02 -0.04 0.13 -0.04 3.95 4.02 3iv7B1 SER 4 HB3 0.01 0.01 0.01 -0.04 3.93 3.92 3iv7B1 LEU 5 H 0.04 0.07 0.13 -0.55 8.37 8.06 3iv7B1 LEU 5 HA 0.09 0.05 0.46 -0.75 4.35 4.19 3iv7B1 LEU 5 HB2 0.07 -0.00 0.14 -0.04 1.64 1.81 3iv7B1 LEU 5 HB3 0.07 -0.03 0.12 -0.04 1.64 1.77 3iv7B1 LEU 5 HG 0.29 0.00 -0.25 -0.04 1.64 1.65 3iv7B1 LEU 5 HD13 0.15 -0.01 0.01 -0.04 0.93 1.04 3iv7B1 LEU 5 HD23 0.17 -0.01 -0.02 -0.04 0.89 0.99 3iv7B1 ALA 6 H 0.14 0.27 0.21 -0.55 8.40 8.46 3iv7B1 ALA 6 HA -0.03 0.06 0.66 -0.75 4.34 4.28 3iv7B1 ALA 6 HB3 0.02 0.02 0.01 -0.04 1.41 1.42 3iv7B1 PHE 7 H -0.25 0.32 0.21 -0.55 8.34 8.07 3iv7B1 PHE 7 HA 0.02 0.15 0.29 -0.75 4.62 4.32 3iv7B1 PHE 7 HB2 0.03 0.06 0.09 -0.04 3.15 3.29 3iv7B1 PHE 7 HB3 0.02 0.20 0.12 -0.04 3.06 3.36 3iv7B1 PHE 7 HD2 0.04 0.02 -0.37 -0.04 7.28 6.92 3iv7B1 PHE 7 HE2 -0.00 0.00 -0.08 -0.04 7.38 7.25 3iv7B1 PHE 7 HZ -0.03 0.01 -0.05 -0.04 7.32 7.21 3iv7B1 ASN 8 H 0.21 0.39 0.09 -0.55 8.53 8.67 3iv7B1 ASN 8 HA -0.01 0.10 0.77 -0.75 4.76 4.87 3iv7B1 ASN 8 HB2 0.00 -0.01 -0.06 -0.04 2.88 2.77 3iv7B1 ASN 8 HB3 0.04 0.04 0.14 -0.04 2.79 2.97 3iv7B1 ASN 8 HD21 -0.01 -0.01 -0.01 -0.04 7.03 6.96 3iv7B1 ASN 8 HD22 -0.01 -0.01 -0.01 -0.04 7.74 7.67 3iv7B1 HIS 9 H 0.21 0.21 0.10 -0.55 8.41 8.39 3iv7B1 HIS 9 HA 0.09 0.27 0.96 -0.75 4.63 5.19 3iv7B1 HIS 9 HB2 0.28 -0.05 -0.07 -0.04 3.26 3.38 3iv7B1 HIS 9 HB3 0.22 -0.01 0.03 -0.04 3.20 3.39 3iv7B1 HIS 9 HD2 0.04 -0.05 -0.40 -0.04 6.97 6.51 3iv7B1 HIS 9 HE1 -0.06 -0.01 -0.03 -0.04 7.75 7.60 3iv7B1 ASP 10 H -0.49 0.27 0.10 -0.55 8.40 7.74 3iv7B1 ASP 10 HA -0.06 0.15 0.89 -0.75 4.63 4.85 3iv7B1 ASP 10 HB2 -0.17 0.04 0.10 -0.04 2.71 2.64 3iv7B1 ASP 10 HB3 -0.09 0.05 -0.07 -0.04 2.70 2.55 3iv7B1 THR 11 H 0.03 0.20 0.06 -0.55 8.28 8.02 3iv7B1 THR 11 HA 0.03 0.14 0.87 -0.75 4.39 4.67 3iv7B1 THR 11 HB 0.08 -0.01 0.09 -0.04 4.32 4.44 3iv7B1 THR 11 HG23 0.07 0.03 -0.14 -0.04 1.22 1.14 3iv7B1 LEU 12 H -0.01 0.15 0.09 -0.55 8.37 8.06 3iv7B1 LEU 12 HA -0.01 0.11 0.52 -0.75 4.35 4.22 3iv7B1 LEU 12 HB2 -0.00 0.00 -0.01 -0.04 1.64 1.59 3iv7B1 LEU 12 HB3 -0.00 0.13 -0.07 -0.04 1.64 1.66 3iv7B1 LEU 12 HG -0.06 -0.01 -0.07 -0.04 1.64 1.46 3iv7B1 LEU 12 HD13 -0.05 0.02 -0.05 -0.04 0.93 0.82 3iv7B1 LEU 12 HD23 -0.04 -0.01 -0.15 -0.04 0.89 0.65 3iv7B1 PRO 13 HA 0.03 0.00 0.44 -0.51 4.44 4.40 3iv7B1 PRO 13 HB2 0.01 0.06 -0.01 -0.04 2.28 2.30 3iv7B1 PRO 13 HB3 0.01 -0.03 0.09 -0.04 2.02 2.05 3iv7B1 PRO 13 HG2 0.01 0.10 0.10 -0.04 2.03 2.21 3iv7B1 PRO 13 HG3 0.01 -0.01 0.08 -0.04 2.03 2.07 3iv7B1 PRO 13 HD2 0.01 0.06 0.19 -0.04 3.68 3.89 3iv7B1 PRO 13 HD3 0.01 0.12 0.23 -0.04 3.65 3.97 3iv7B1 GLN 14 H 0.04 0.19 0.20 -0.55 8.47 8.36 3iv7B1 GLN 14 HA 0.02 0.23 0.41 -0.75 4.36 4.27 3iv7B1 GLN 14 HB2 0.08 0.11 -0.31 -0.04 2.15 1.99 3iv7B1 GLN 14 HB3 0.13 -0.15 -0.10 -0.04 2.02 1.86 3iv7B1 GLN 14 HG2 0.04 -0.07 -0.22 -0.04 2.40 2.11 3iv7B1 GLN 14 HG3 0.03 0.25 -0.05 -0.04 2.39 2.58 3iv7B1 GLN 14 HE21 0.10 0.21 0.15 -0.04 6.97 7.38 3iv7B1 GLN 14 HE22 0.04 0.60 0.01 -0.04 7.69 8.30 3iv7B1 LYS 15 H -0.01 0.81 0.39 -0.55 8.42 9.06 3iv7B1 LYS 15 HA -0.00 0.11 0.96 -0.75 4.32 4.64 3iv7B1 LYS 15 HB2 -0.01 0.01 0.13 -0.04 1.87 1.95 3iv7B1 LYS 15 HB3 -0.04 0.02 0.24 -0.04 1.79 1.97 3iv7B1 LYS 15 HG2 -0.08 -0.05 -0.23 -0.04 1.46 1.06 3iv7B1 LYS 15 HG3 -0.03 0.00 0.07 -0.04 1.46 1.47 3iv7B1 LYS 15 HD2 -0.04 -0.02 -0.05 -0.04 1.69 1.54 3iv7B1 LYS 15 HD3 -0.04 -0.01 -0.05 -0.04 1.68 1.54 3iv7B1 LYS 15 HE2 -0.01 0.03 -0.01 -0.04 2.99 2.96 3iv7B1 LYS 15 HE3 -0.00 -0.00 -0.03 -0.04 2.99 2.92 3iv7B1 VAL 16 H -0.03 0.24 0.08 -0.55 8.24 7.98 3iv7B1 VAL 16 HA -0.17 0.32 0.92 -0.75 4.13 4.45 3iv7B1 VAL 16 HB -0.05 -0.01 0.06 -0.04 2.12 2.08 3iv7B1 VAL 16 HG13 -0.06 0.01 -0.04 -0.04 0.97 0.83 3iv7B1 VAL 16 HG23 -0.28 0.01 -0.25 -0.04 0.95 0.38 3iv7B1 PHE 18 HA 0.09 0.00 0.42 -0.75 4.62 4.38 3iv7B1 PHE 18 HB2 0.06 0.00 -0.13 -0.04 3.15 3.03 3iv7B1 PHE 18 HB3 0.07 0.00 0.05 -0.04 3.06 3.14 3iv7B1 PHE 18 HD2 0.08 0.01 -0.21 -0.04 7.28 7.12 3iv7B1 PHE 18 HE2 -0.04 -0.04 -0.12 -0.04 7.38 7.14 3iv7B1 PHE 18 HZ 0.04 0.08 0.08 -0.04 7.32 7.49 3iv7B1 GLY 19 H -0.13 0.55 0.28 -0.55 8.43 8.58 3iv7B1 GLY 19 HA2 0.28 -0.02 0.39 -0.51 4.01 4.15 3iv7B1 GLY 19 HA3 0.31 0.17 0.53 -0.51 4.01 4.51 3iv7B1 TYR 20 H 0.24 0.20 0.16 -0.55 8.29 8.34 3iv7B1 TYR 20 HA 0.00 -0.22 0.49 -0.75 4.56 4.08 3iv7B1 TYR 20 HB2 0.05 0.01 0.14 -0.04 3.06 3.22 3iv7B1 TYR 20 HB3 0.05 0.07 0.17 -0.04 2.98 3.23 3iv7B1 TYR 20 HD2 0.03 -0.03 -0.10 -0.04 7.15 7.01 3iv7B1 TYR 20 HE2 0.04 0.08 -0.04 -0.04 6.85 6.89 3iv7B1 GLY 21 H -0.41 -0.02 0.24 -0.55 8.43 7.69 3iv7B1 GLY 21 HA2 -0.33 0.01 0.37 -0.51 4.01 3.55 3iv7B1 GLY 21 HA3 -0.28 0.16 0.46 -0.51 4.01 3.84 3iv7B1 LYS 22 H -0.04 0.39 -0.26 -0.55 8.42 7.96 3iv7B1 LYS 22 HA -0.14 0.22 0.64 -0.75 4.32 4.28 3iv7B1 LYS 22 HB2 0.00 0.13 -0.09 -0.04 1.87 1.88 3iv7B1 LYS 22 HB3 -0.77 -0.04 0.05 -0.04 1.79 1.00 3iv7B1 LYS 22 HG2 -0.04 0.14 -0.39 -0.04 1.46 1.14 3iv7B1 LYS 22 HG3 -0.13 0.05 -0.12 -0.04 1.46 1.21 3iv7B1 LYS 22 HD2 -0.29 -0.03 -0.06 -0.04 1.69 1.26 3iv7B1 LYS 22 HD3 -0.12 0.03 -0.23 -0.04 1.68 1.31 3iv7B1 LYS 22 HE2 -0.07 -0.01 -0.05 -0.04 2.99 2.82 3iv7B1 LYS 22 HE3 -0.02 0.03 -0.05 -0.04 2.99 2.91 3iv7B1 SER 23 H -0.01 0.06 -0.17 -0.55 8.46 7.80 3iv7B1 SER 23 HA 0.18 0.10 0.14 -0.75 4.49 4.16 3iv7B1 SER 23 HB2 0.03 0.11 -0.02 -0.04 3.95 4.02 3iv7B1 SER 23 HB3 0.03 -0.02 -0.00 -0.04 3.93 3.90 3iv7B1 SER 24 H -0.00 0.09 -0.11 -0.55 8.46 7.89 3iv7B1 SER 24 HA 0.03 0.35 0.40 -0.75 4.49 4.51 3iv7B1 SER 24 HB2 0.02 -0.02 0.10 -0.04 3.95 4.00 3iv7B1 SER 24 HB3 0.01 0.04 0.16 -0.04 3.93 4.10 3iv7B1 ALA 25 H -0.04 0.06 -0.32 -0.55 8.40 7.55 3iv7B1 ALA 25 HA -0.03 0.09 0.43 -0.75 4.34 4.08 3iv7B1 ALA 25 HB3 -0.13 0.02 0.04 -0.04 1.41 1.30 3iv7B1 PHE 26 H 0.01 0.74 0.01 -0.55 8.34 8.54 3iv7B1 PHE 26 HA -0.00 0.03 0.46 -0.75 4.62 4.35 3iv7B1 PHE 26 HB2 -0.02 0.05 0.06 -0.04 3.15 3.20 3iv7B1 PHE 26 HB3 -0.02 -0.02 -0.10 -0.04 3.06 2.88 3iv7B1 PHE 26 HD2 -0.00 -0.08 -0.16 -0.04 7.28 7.00 3iv7B1 PHE 26 HE2 0.03 -0.04 -0.25 -0.04 7.38 7.07 3iv7B1 PHE 26 HZ 0.07 0.11 -0.08 -0.04 7.32 7.38 3iv7B1 LEU 27 H 0.11 0.63 -0.21 -0.55 8.37 8.36 3iv7B1 LEU 27 HA 0.04 -0.00 0.32 -0.75 4.35 3.95 3iv7B1 LEU 27 HB2 0.03 0.00 0.01 -0.04 1.64 1.64 3iv7B1 LEU 27 HB3 0.03 0.14 0.06 -0.04 1.64 1.83 3iv7B1 LEU 27 HG -0.01 0.00 -0.26 -0.04 1.64 1.33 3iv7B1 LEU 27 HD13 -0.02 -0.03 -0.06 -0.04 0.93 0.78 3iv7B1 LEU 27 HD23 -0.01 0.01 -0.18 -0.04 0.89 0.68 3iv7B1 LYS 28 H 0.03 0.48 -0.17 -0.55 8.42 8.22 3iv7B1 LYS 28 HA 0.01 0.05 0.40 -0.75 4.32 4.02 3iv7B1 LYS 28 HB2 0.01 0.04 0.06 -0.04 1.87 1.95 3iv7B1 LYS 28 HB3 0.01 0.07 0.18 -0.04 1.79 2.01 3iv7B1 LYS 28 HG2 0.01 -0.05 -0.21 -0.04 1.46 1.17 3iv7B1 LYS 28 HG3 0.01 0.01 0.03 -0.04 1.46 1.47 3iv7B1 LYS 28 HD2 0.01 0.13 0.06 -0.04 1.69 1.84 3iv7B1 LYS 28 HD3 -0.00 -0.07 0.01 -0.04 1.68 1.58 3iv7B1 LYS 28 HE2 0.00 -0.05 -0.02 -0.04 2.99 2.88 3iv7B1 LYS 28 HE3 0.00 0.02 0.01 -0.04 2.99 2.98 3iv7B1 GLN 29 H 0.05 0.50 -0.25 -0.55 8.47 8.22 3iv7B1 GLN 29 HA 0.03 0.00 0.35 -0.75 4.36 3.99 3iv7B1 GLN 29 HB2 0.05 -0.01 0.10 -0.04 2.15 2.24 3iv7B1 GLN 29 HB3 0.12 0.15 0.18 -0.04 2.02 2.43 3iv7B1 GLN 29 HG2 0.07 0.01 -0.25 -0.04 2.40 2.19 3iv7B1 GLN 29 HG3 0.05 -0.05 0.03 -0.04 2.39 2.37 3iv7B1 GLN 29 HE21 0.13 -0.02 -0.03 -0.04 6.97 7.00 3iv7B1 GLN 29 HE22 0.08 0.00 -0.06 -0.04 7.69 7.67 3iv7B1 GLU 30 H 0.05 0.54 -0.17 -0.55 8.60 8.48 3iv7B1 GLU 30 HA 0.02 0.02 0.45 -0.75 4.29 4.02 3iv7B1 GLU 30 HB2 0.02 0.03 0.03 -0.04 2.09 2.13 3iv7B1 GLU 30 HB3 0.01 0.07 0.08 -0.04 1.99 2.11 3iv7B1 GLU 30 HG2 -0.03 -0.04 -0.10 -0.04 2.34 2.13 3iv7B1 GLU 30 HG3 -0.02 0.01 -0.26 -0.04 2.34 2.03 3iv7B1 VAL 31 H 0.00 0.71 -0.07 -0.55 8.24 8.34 3iv7B1 VAL 31 HA -0.02 -0.01 0.51 -0.75 4.13 3.86 3iv7B1 VAL 31 HB -0.01 0.11 0.12 -0.04 2.12 2.30 3iv7B1 VAL 31 HG13 -0.02 -0.02 -0.09 -0.04 0.97 0.79 3iv7B1 VAL 31 HG23 -0.03 0.01 -0.03 -0.04 0.95 0.86 3iv7B1 GLU 32 H 0.01 0.56 -0.21 -0.55 8.60 8.41 3iv7B1 GLU 32 HA -0.00 0.03 0.53 -0.75 4.29 4.10 3iv7B1 GLU 32 HB2 0.01 0.08 0.20 -0.04 2.09 2.34 3iv7B1 GLU 32 HB3 0.01 -0.06 -0.00 -0.04 1.99 1.89 3iv7B1 GLU 32 HG2 0.00 -0.05 0.03 -0.04 2.34 2.28 3iv7B1 GLU 32 HG3 0.00 0.09 0.06 -0.04 2.34 2.45 3iv7B1 ARG 33 H 0.01 0.73 0.02 -0.55 8.46 8.66 3iv7B1 ARG 33 HA 0.01 -0.04 0.34 -0.75 4.34 3.89 3iv7B1 ARG 33 HB2 0.02 0.05 0.16 -0.04 1.90 2.08 3iv7B1 ARG 33 HB3 0.01 0.09 0.16 -0.04 1.80 2.02 3iv7B1 ARG 33 HG2 0.00 0.02 -0.12 -0.04 1.67 1.54 3iv7B1 ARG 33 HG3 0.01 -0.07 0.05 -0.04 1.67 1.62 3iv7B1 ARG 33 HD2 0.01 -0.05 -0.02 -0.04 3.22 3.12 3iv7B1 ARG 33 HD3 0.02 -0.03 -0.02 -0.04 3.22 3.15 3iv7B1 ARG 34 H -0.00 0.35 -0.43 -0.55 8.46 7.83 3iv7B1 ARG 34 HA -0.01 0.05 0.51 -0.75 4.34 4.14 3iv7B1 ARG 34 HB2 -0.02 0.01 0.13 -0.04 1.90 1.98 3iv7B1 ARG 34 HB3 -0.02 -0.04 -0.03 -0.04 1.80 1.67 3iv7B1 ARG 34 HG2 -0.01 -0.03 0.00 -0.04 1.67 1.58 3iv7B1 ARG 34 HG3 -0.01 0.02 -0.00 -0.04 1.67 1.64 3iv7B1 ARG 34 HD2 -0.02 0.00 -0.15 -0.04 3.22 3.01 3iv7B1 ARG 34 HD3 -0.02 -0.01 -0.05 -0.04 3.22 3.10 3iv7B1 GLY 35 H -0.01 0.40 -0.19 -0.55 8.43 8.09 3iv7B1 GLY 35 HA2 -0.01 0.01 0.31 -0.51 4.01 3.81 3iv7B1 GLY 35 HA3 -0.01 0.01 0.52 -0.51 4.01 4.02 3iv7B1 SER 36 H -0.02 0.20 -0.02 -0.55 8.46 8.08 3iv7B1 SER 36 HA -0.03 0.04 0.25 -0.75 4.49 4.00 3iv7B1 SER 36 HB2 -0.04 -0.02 0.02 -0.04 3.95 3.87 3iv7B1 SER 36 HB3 -0.04 -0.11 -0.19 -0.04 3.93 3.55 3iv7B1 ALA 37 H -0.03 0.10 0.18 -0.55 8.40 8.10 3iv7B1 ALA 37 HA -0.03 0.18 0.69 -0.75 4.34 4.43 3iv7B1 ALA 37 HB3 -0.02 0.02 0.09 -0.04 1.41 1.45 3iv7B1 LYS 38 H -0.05 0.01 -0.04 -0.55 8.42 7.79 3iv7B1 LYS 38 HA -0.06 0.16 0.84 -0.75 4.32 4.50 3iv7B1 LYS 38 HB2 -0.05 0.04 0.21 -0.04 1.87 2.03 3iv7B1 LYS 38 HB3 -0.06 0.03 0.03 -0.04 1.79 1.75 3iv7B1 VAL 39 H -0.11 0.25 -0.00 -0.55 8.24 7.84 3iv7B1 VAL 39 HA -0.11 0.26 0.52 -0.75 4.13 4.05 3iv7B1 VAL 39 HB -0.16 0.10 0.13 -0.04 2.12 2.15 3iv7B1 VAL 39 HG13 -0.17 0.02 -0.09 -0.04 0.97 0.69 3iv7B1 VAL 39 HG23 -0.08 -0.00 -0.14 -0.04 0.95 0.69 3iv7B1 VAL 41 HA -0.14 0.07 0.44 -0.75 4.13 3.75 3iv7B1 VAL 41 HB -0.59 -0.03 0.10 -0.04 2.12 1.56 3iv7B1 VAL 41 HG13 0.10 -0.03 -0.31 -0.04 0.97 0.69 3iv7B1 VAL 41 HG23 -0.46 -0.00 -0.20 -0.04 0.95 0.24 3iv7B1 ILE 42 H -0.01 0.73 0.38 -0.55 8.25 8.80 3iv7B1 ILE 42 HA 0.11 0.31 0.98 -0.75 4.18 4.83 3iv7B1 ILE 42 HB 0.02 -0.08 0.15 -0.04 1.89 1.93 3iv7B1 ILE 42 HG12 0.04 0.01 -0.10 -0.04 1.49 1.40 3iv7B1 ILE 42 HG13 -0.02 0.04 -0.19 -0.04 1.21 1.01 3iv7B1 ILE 42 HG23 0.09 -0.03 -0.15 -0.04 0.93 0.80 3iv7B1 ILE 42 HD13 -0.04 -0.01 -0.14 -0.04 0.88 0.65 3iv7B1 ALA 43 H 0.09 0.63 0.20 -0.55 8.40 8.77 3iv7B1 ALA 43 HA 0.04 0.06 0.61 -0.75 4.34 4.29 3iv7B1 ALA 43 HB3 0.06 0.01 0.00 -0.04 1.41 1.45 3iv7B1 GLY 44 H 0.02 0.07 0.18 -0.55 8.43 8.15 3iv7B1 GLY 44 HA2 0.01 0.13 0.56 -0.51 4.01 4.20 3iv7B1 GLY 44 HA3 0.00 -0.04 0.41 -0.51 4.01 3.88 3iv7B1 GLU 45 H -0.01 0.31 0.36 -0.55 8.60 8.71 3iv7B1 GLU 45 HA 0.00 0.11 0.44 -0.75 4.29 4.09 3iv7B1 GLU 45 HB2 -0.02 0.08 0.23 -0.04 2.09 2.34 3iv7B1 GLU 45 HB3 -0.01 -0.09 0.19 -0.04 1.99 2.04 3iv7B1 GLU 45 HG2 -0.01 0.03 -0.20 -0.04 2.34 2.12 3iv7B1 GLU 45 HG3 -0.01 0.02 0.07 -0.04 2.34 2.38 3iv7B1 ARG 46 H -0.00 -0.04 -0.29 -0.55 8.46 7.58 3iv7B1 ARG 46 HA -0.00 0.18 0.61 -0.75 4.34 4.37 3iv7B1 GLU 47 H 0.01 0.39 -0.28 -0.55 8.60 8.17 3iv7B1 GLU 47 HA 0.01 0.18 0.62 -0.75 4.29 4.35 3iv7B1 GLU 47 HB2 0.02 0.03 0.20 -0.04 2.09 2.31 3iv7B1 GLU 47 HB3 0.01 0.02 0.15 -0.04 1.99 2.13 3iv7B1 GLU 47 HG2 -0.00 0.07 -0.01 -0.04 2.34 2.36 3iv7B1 GLU 47 HG3 0.00 -0.10 0.06 -0.04 2.34 2.26 3iv7B1 SER 49 HA 0.05 -0.02 0.28 -0.75 4.49 4.04 3iv7B1 SER 49 HB2 -0.04 -0.01 0.02 -0.04 3.95 3.89 3iv7B1 SER 49 HB3 -0.03 0.04 0.07 -0.04 3.93 3.97 3iv7B1 ILE 50 H 0.02 0.31 -0.57 -0.55 8.25 7.46 3iv7B1 ILE 50 HA 0.02 0.03 0.51 -0.75 4.18 3.98 3iv7B1 ILE 50 HB 0.02 0.18 0.21 -0.04 1.89 2.26 3iv7B1 ILE 50 HG23 0.01 -0.02 -0.11 -0.04 0.93 0.77 3iv7B1 ALA 51 H 0.04 0.52 0.12 -0.55 8.40 8.53 3iv7B1 ALA 51 HA 0.07 -0.01 0.33 -0.75 4.34 3.98 3iv7B1 ALA 51 HB3 0.09 0.03 -0.10 -0.04 1.41 1.40 3iv7B1 HIS 52 H 0.02 0.17 -0.52 -0.55 8.41 7.53 3iv7B1 HIS 52 HA -0.02 0.08 0.31 -0.75 4.63 4.24 3iv7B1 HIS 52 HB2 -0.19 0.15 0.05 -0.04 3.26 3.24 3iv7B1 HIS 52 HB3 -0.22 -0.00 -0.10 -0.04 3.20 2.84 3iv7B1 HIS 52 HD2 -1.09 0.03 -0.05 -0.04 6.97 5.81 3iv7B1 HIS 52 HE1 -0.51 -0.01 -0.08 -0.04 7.75 7.11 3iv7B1 LYS 53 H 0.07 0.39 -0.18 -0.55 8.42 8.15 3iv7B1 LYS 53 HA 0.05 0.05 0.51 -0.75 4.32 4.17 3iv7B1 LYS 53 HB2 0.03 0.12 0.22 -0.04 1.87 2.20 3iv7B1 LYS 53 HB3 0.02 -0.09 0.03 -0.04 1.79 1.71 3iv7B1 LYS 53 HG2 0.01 -0.03 0.02 -0.04 1.46 1.42 3iv7B1 LYS 53 HG3 0.01 0.18 0.07 -0.04 1.46 1.69 3iv7B1 VAL 54 H 0.06 0.64 -0.03 -0.55 8.24 8.36 3iv7B1 VAL 54 HA 0.03 -0.12 0.34 -0.75 4.13 3.63 3iv7B1 VAL 54 HB 0.06 0.11 0.07 -0.04 2.12 2.32 3iv7B1 VAL 54 HG13 0.02 -0.03 -0.23 -0.04 0.97 0.69 3iv7B1 VAL 54 HG23 0.02 0.00 -0.04 -0.04 0.95 0.88 3iv7B1 ALA 55 H 0.16 0.64 -0.29 -0.55 8.40 8.36 3iv7B1 ALA 55 HA 0.06 0.06 0.51 -0.75 4.34 4.21 3iv7B1 ALA 55 HB3 0.16 0.00 -0.02 -0.04 1.41 1.51 3iv7B1 SER 56 H 0.10 0.33 -0.70 -0.55 8.46 7.65 3iv7B1 SER 56 HA 0.14 0.07 0.28 -0.75 4.49 4.23 3iv7B1 SER 56 HB2 0.05 -0.11 0.07 -0.04 3.95 3.93 3iv7B1 SER 56 HB3 0.07 0.07 0.22 -0.04 3.93 4.25 3iv7B1 GLU 57 H 0.05 0.11 -0.33 -0.55 8.60 7.88 3iv7B1 GLU 57 HA 0.03 0.15 0.66 -0.75 4.29 4.38 3iv7B1 GLU 57 HB2 0.02 0.11 0.00 -0.04 2.09 2.18 3iv7B1 GLU 57 HB3 0.01 -0.03 0.12 -0.04 1.99 2.05 3iv7B1 GLU 57 HG2 0.01 0.02 -0.09 -0.04 2.34 2.25 3iv7B1 GLU 57 HG3 0.02 -0.04 -0.11 -0.04 2.34 2.17 3iv7B1 ILE 58 H 0.05 0.50 -0.30 -0.55 8.25 7.95 3iv7B1 ILE 58 HA 0.01 0.14 0.83 -0.75 4.18 4.40 3iv7B1 ILE 58 HB -0.02 0.03 0.01 -0.04 1.89 1.86 3iv7B1 ILE 58 HG12 0.00 -0.06 -0.09 -0.04 1.49 1.30 3iv7B1 ILE 58 HG13 -0.04 0.06 -0.46 -0.04 1.21 0.73 3iv7B1 ILE 58 HG23 0.00 -0.01 -0.29 -0.04 0.93 0.58 3iv7B1 ILE 58 HD13 -0.08 -0.01 -0.17 -0.04 0.88 0.58 3iv7B1 GLU 59 H -0.01 0.12 0.08 -0.55 8.60 8.25 3iv7B1 GLU 59 HA 0.04 0.11 0.70 -0.75 4.29 4.39 3iv7B1 GLU 59 HB2 -0.01 0.01 0.11 -0.04 2.09 2.16 3iv7B1 GLU 59 HB3 -0.00 0.04 -0.05 -0.04 1.99 1.94 3iv7B1 VAL 60 H 0.01 0.18 0.10 -0.55 8.24 7.98 3iv7B1 VAL 60 HA -0.26 0.12 0.89 -0.75 4.13 4.13 3iv7B1 VAL 60 HB -0.48 -0.05 0.00 -0.04 2.12 1.54 3iv7B1 VAL 60 HG13 -1.39 -0.01 -0.28 -0.04 0.97 -0.75 3iv7B1 VAL 60 HG23 -0.46 0.02 -0.26 -0.04 0.95 0.21 3iv7B1 ALA 61 H -0.21 0.37 0.17 -0.55 8.40 8.18 3iv7B1 ALA 61 HA -0.06 0.06 0.59 -0.75 4.34 4.18 3iv7B1 ALA 61 HB3 -0.08 0.01 0.04 -0.04 1.41 1.34 3iv7B1 ILE 62 H -0.31 0.49 0.10 -0.55 8.25 7.98 3iv7B1 ILE 62 HA -0.05 0.10 0.81 -0.75 4.18 4.29 3iv7B1 ILE 62 HB -0.10 0.02 -0.18 -0.04 1.89 1.59 3iv7B1 ILE 62 HG12 -0.05 -0.03 -0.57 -0.04 1.49 0.79 3iv7B1 ILE 62 HG13 -0.03 0.02 -0.18 -0.04 1.21 0.97 3iv7B1 ILE 62 HG23 0.05 -0.03 -0.35 -0.04 0.93 0.56 3iv7B1 ILE 62 HD13 0.03 0.01 0.02 -0.04 0.88 0.90 3iv7B1 TRP 63 H 0.21 0.15 0.07 -0.55 7.97 7.86 3iv7B1 TRP 63 HA -0.02 0.37 0.92 -0.75 4.62 5.14 3iv7B1 TRP 63 HB2 0.04 -0.07 0.14 -0.04 3.23 3.30 3iv7B1 TRP 63 HB3 -0.03 -0.03 -0.04 -0.04 3.23 3.09 3iv7B1 TRP 63 HD1 0.06 -0.01 -0.07 -0.04 7.22 7.15 3iv7B1 TRP 63 HE1 0.07 0.04 -0.10 -0.04 10.20 10.17 3iv7B1 TRP 63 HE3 -0.30 -0.00 -0.15 -0.04 7.59 7.10 3iv7B1 TRP 63 HZ2 0.05 0.04 -0.08 -0.04 7.44 7.41 3iv7B1 TRP 63 HZ3 -0.32 -0.05 -0.43 -0.04 7.13 6.28 3iv7B1 TRP 63 HH2 -0.10 0.06 -0.13 -0.04 7.19 6.98 3iv7B1 HIS 64 H 0.19 0.96 0.27 -0.55 8.41 9.28 3iv7B1 HIS 64 HA 0.08 0.08 0.85 -0.75 4.63 4.88 3iv7B1 HIS 64 HB2 0.01 0.07 -0.16 -0.04 3.26 3.14 3iv7B1 HIS 64 HB3 0.01 0.03 0.07 -0.04 3.20 3.27 3iv7B1 HIS 64 HD2 0.01 -0.02 -0.22 -0.04 6.97 6.70 3iv7B1 HIS 64 HE1 0.01 0.01 -0.10 -0.04 7.75 7.62 3iv7B1 ASP 65 H -0.22 0.15 0.14 -0.55 8.40 7.92 3iv7B1 ASP 65 HA -0.02 0.52 0.95 -0.75 4.63 5.33 3iv7B1 ASP 65 HB2 -0.01 -0.11 0.11 -0.04 2.71 2.67 3iv7B1 ASP 65 HB3 0.02 0.08 -0.10 -0.04 2.70 2.67 3iv7B1 GLU 66 H -0.64 0.15 -0.12 -0.55 8.60 7.45 3iv7B1 GLU 66 HA -0.07 0.11 0.71 -0.75 4.29 4.29 3iv7B1 GLU 66 HB2 -0.14 0.01 0.07 -0.04 2.09 2.00 3iv7B1 GLU 66 HB3 -0.07 0.04 0.15 -0.04 1.99 2.07 3iv7B1 GLU 66 HG2 0.03 -0.04 -0.15 -0.04 2.34 2.14 3iv7B1 GLU 66 HG3 -0.01 0.01 -0.05 -0.04 2.34 2.25 3iv7B1 VAL 67 H -0.01 0.37 0.10 -0.55 8.24 8.15 3iv7B1 VAL 67 HA 0.04 0.21 0.80 -0.75 4.13 4.43 3iv7B1 VAL 67 HB 0.01 -0.11 0.08 -0.04 2.12 2.06 3iv7B1 VAL 67 HG13 0.01 0.01 -0.32 -0.04 0.97 0.64 3iv7B1 VAL 67 HG23 0.05 0.03 -0.43 -0.04 0.95 0.55 3iv7B1 VAL 68 H 0.02 0.32 0.04 -0.55 8.24 8.07 3iv7B1 VAL 68 HA -0.01 0.25 0.77 -0.75 4.13 4.38 3iv7B1 VAL 68 HB 0.03 0.00 0.05 -0.04 2.12 2.16 3iv7B1 VAL 68 HG13 0.02 0.02 0.02 -0.04 0.97 0.99 3iv7B1 VAL 68 HG23 0.02 0.02 -0.31 -0.04 0.95 0.63 3iv7B1 HIS 70 HA 0.03 -0.00 0.14 -0.75 4.63 4.05 3iv7B1 HIS 70 HB2 0.03 -0.06 -0.18 -0.04 3.26 3.01 3iv7B1 HIS 70 HB3 0.03 0.02 -0.05 -0.04 3.20 3.16 3iv7B1 HIS 70 HD2 0.02 -0.02 -0.03 -0.04 6.97 6.89 3iv7B1 HIS 70 HE1 0.02 0.00 -0.04 -0.04 7.75 7.69 3iv7B1 VAL 71 H 0.04 0.42 0.54 -0.55 8.24 8.69 3iv7B1 VAL 71 HA 0.05 -0.00 0.42 -0.75 4.13 3.84 3iv7B1 VAL 71 HB 0.11 0.22 0.06 -0.04 2.12 2.46 3iv7B1 VAL 71 HG13 0.05 -0.01 -0.02 -0.04 0.97 0.96 3iv7B1 VAL 71 HG23 0.06 -0.02 -0.05 -0.04 0.95 0.90 3iv7B1 PRO 72 HA 0.06 0.25 0.58 -0.51 4.44 4.82 3iv7B1 PRO 72 HB2 0.04 -0.19 0.07 -0.04 2.28 2.16 3iv7B1 PRO 72 HB3 0.04 0.03 0.10 -0.04 2.02 2.15 3iv7B1 PRO 72 HG2 0.05 0.02 0.01 -0.04 2.03 2.07 3iv7B1 PRO 72 HG3 0.07 0.10 -0.07 -0.04 2.03 2.09 3iv7B1 PRO 72 HD2 0.05 0.04 0.12 -0.04 3.68 3.85 3iv7B1 PRO 72 HD3 0.07 0.16 -0.32 -0.04 3.65 3.52 3iv7B1 ILE 73 H 0.04 0.58 0.42 -0.55 8.25 8.74 3iv7B1 ILE 73 HA 0.01 0.16 0.40 -0.75 4.18 4.00 3iv7B1 ILE 73 HB 0.02 0.13 0.11 -0.04 1.89 2.12 3iv7B1 ILE 73 HG12 -0.01 0.04 -0.01 -0.04 1.49 1.48 3iv7B1 ILE 73 HG13 -0.01 -0.07 -0.10 -0.04 1.21 0.99 3iv7B1 ILE 73 HG23 0.02 -0.00 0.13 -0.04 0.93 1.03 3iv7B1 ILE 73 HD13 -0.04 0.01 0.04 -0.04 0.88 0.86 3iv7B1 GLU 74 H 0.02 0.09 -0.12 -0.55 8.60 8.04 3iv7B1 GLU 74 HA 0.01 0.11 0.40 -0.75 4.29 4.06 3iv7B1 GLU 74 HB2 0.02 -0.01 -0.00 -0.04 2.09 2.06 3iv7B1 GLU 74 HB3 0.02 0.06 0.03 -0.04 1.99 2.05 3iv7B1 GLU 74 HG2 0.01 0.06 0.02 -0.04 2.34 2.39 3iv7B1 GLU 74 HG3 0.01 0.03 0.02 -0.04 2.34 2.36 3iv7B1 VAL 75 H 0.03 0.12 -0.33 -0.55 8.24 7.50 3iv7B1 VAL 75 HA 0.05 0.05 0.50 -0.75 4.13 3.98 3iv7B1 VAL 75 HB 0.04 0.18 0.12 -0.04 2.12 2.42 3iv7B1 VAL 75 HG13 0.07 -0.01 -0.09 -0.04 0.97 0.90 3iv7B1 VAL 75 HG23 0.04 -0.03 -0.02 -0.04 0.95 0.89 3iv7B1 ALA 76 H 0.02 0.56 -0.11 -0.55 8.40 8.32 3iv7B1 ALA 76 HA -0.01 0.05 0.31 -0.75 4.34 3.95 3iv7B1 ALA 76 HB3 -0.02 0.05 0.05 -0.04 1.41 1.46 3iv7B1 GLU 77 H -0.00 0.56 -0.15 -0.55 8.60 8.46 3iv7B1 GLU 77 HA -0.03 0.00 0.39 -0.75 4.29 3.89 3iv7B1 GLU 77 HB2 -0.00 -0.00 0.18 -0.04 2.09 2.22 3iv7B1 GLU 77 HB3 -0.01 0.00 -0.03 -0.04 1.99 1.91 3iv7B1 GLU 77 HG2 -0.03 0.00 0.01 -0.04 2.34 2.28 3iv7B1 GLU 77 HG3 -0.02 0.14 0.05 -0.04 2.34 2.47 3iv7B1 ARG 78 H 0.01 0.57 -0.13 -0.55 8.46 8.37 3iv7B1 ARG 78 HA 0.01 0.03 0.52 -0.75 4.34 4.15 3iv7B1 ARG 78 HB2 0.06 0.12 0.21 -0.04 1.90 2.25 3iv7B1 ARG 78 HB3 0.09 -0.04 0.01 -0.04 1.80 1.81 3iv7B1 ARG 78 HG2 0.03 -0.03 0.05 -0.04 1.67 1.68 3iv7B1 ARG 78 HG3 0.03 0.09 0.08 -0.04 1.67 1.82 3iv7B1 ARG 78 HD2 0.05 -0.01 0.01 -0.04 3.22 3.23 3iv7B1 ARG 78 HD3 0.03 -0.03 -0.00 -0.04 3.22 3.17 3iv7B1 ALA 79 H -0.01 0.57 -0.18 -0.55 8.40 8.23 3iv7B1 ALA 79 HA -0.35 -0.02 0.38 -0.75 4.34 3.60 3iv7B1 ALA 79 HB3 -0.14 0.04 0.03 -0.04 1.41 1.29 3iv7B1 ARG 80 H -0.07 0.58 -0.10 -0.55 8.46 8.32 3iv7B1 ARG 80 HA -0.08 0.06 0.47 -0.75 4.34 4.04 3iv7B1 ARG 80 HB2 -0.05 0.00 0.15 -0.04 1.90 1.96 3iv7B1 ARG 80 HB3 -0.06 -0.01 0.00 -0.04 1.80 1.70 3iv7B1 ARG 80 HG2 -0.07 0.11 0.09 -0.04 1.67 1.75 3iv7B1 ARG 80 HG3 -0.07 0.02 0.03 -0.04 1.67 1.61 3iv7B1 ARG 80 HD2 -0.06 -0.16 -0.17 -0.04 3.22 2.79 3iv7B1 ARG 80 HD3 -0.07 -0.03 -0.02 -0.04 3.22 3.05 3iv7B1 ALA 81 H -0.04 0.41 -0.32 -0.55 8.40 7.90 3iv7B1 ALA 81 HA -0.03 0.02 0.36 -0.75 4.34 3.93 3iv7B1 ALA 81 HB3 -0.01 0.03 0.11 -0.04 1.41 1.49 3iv7B1 VAL 82 H -0.06 0.49 -0.12 -0.55 8.24 8.00 3iv7B1 VAL 82 HA -0.01 0.00 0.42 -0.75 4.13 3.78 3iv7B1 VAL 82 HB -0.16 0.11 0.12 -0.04 2.12 2.14 3iv7B1 VAL 82 HG13 0.02 -0.01 -0.19 -0.04 0.97 0.75 3iv7B1 VAL 82 HG23 0.09 0.03 0.02 -0.04 0.95 1.05 3iv7B1 ALA 83 H -0.10 0.58 -0.17 -0.55 8.40 8.15 3iv7B1 ALA 83 HA -0.07 -0.00 0.34 -0.75 4.34 3.85 3iv7B1 ALA 83 HB3 -0.08 0.03 0.04 -0.04 1.41 1.36 3iv7B1 THR 84 H -0.05 0.61 -0.14 -0.55 8.28 8.15 3iv7B1 THR 84 HA -0.04 0.07 0.36 -0.75 4.39 4.02 3iv7B1 THR 84 HB -0.03 0.01 0.14 -0.04 4.32 4.39 3iv7B1 THR 84 HG23 -0.03 -0.02 -0.13 -0.04 1.22 1.00 3iv7B1 ASP 85 H -0.03 0.85 0.03 -0.55 8.40 8.71 3iv7B1 ASP 85 HA -0.02 0.00 0.49 -0.75 4.63 4.36 3iv7B1 ASP 85 HB2 -0.01 0.08 0.12 -0.04 2.71 2.86 3iv7B1 ASP 85 HB3 -0.01 -0.08 0.04 -0.04 2.70 2.61 3iv7B1 ASN 86 H -0.03 0.44 -0.38 -0.55 8.53 8.01 3iv7B1 ASN 86 HA -0.02 0.11 0.70 -0.75 4.76 4.80 3iv7B1 ASN 86 HB2 -0.03 0.16 0.04 -0.04 2.88 3.00 3iv7B1 ASN 86 HB3 -0.03 -0.06 0.06 -0.04 2.79 2.72 3iv7B1 ASN 86 HD21 0.01 -0.13 -0.04 -0.04 7.03 6.82 3iv7B1 ASN 86 HD22 -0.01 0.54 0.13 -0.04 7.74 8.35 3iv7B1 GLU 87 H -0.03 0.31 -0.45 -0.55 8.60 7.88 3iv7B1 GLU 87 HA -0.03 0.05 0.30 -0.75 4.29 3.86 3iv7B1 GLU 87 HB2 -0.02 0.10 -0.01 -0.04 2.09 2.12 3iv7B1 GLU 87 HB3 -0.02 -0.07 0.12 -0.04 1.99 1.98 3iv7B1 GLU 87 HG2 -0.02 0.03 -0.04 -0.04 2.34 2.27 3iv7B1 GLU 87 HG3 -0.02 0.02 -0.40 -0.04 2.34 1.90 3iv7B1 ILE 88 H -0.05 0.45 -0.11 -0.55 8.25 8.00 3iv7B1 ILE 88 HA -0.06 0.08 0.49 -0.75 4.18 3.95 3iv7B1 ILE 88 HB -0.06 -0.04 0.08 -0.04 1.89 1.83 3iv7B1 ILE 88 HG12 -0.06 0.05 -0.08 -0.04 1.49 1.36 3iv7B1 ILE 88 HG13 -0.08 -0.09 -0.09 -0.04 1.21 0.92 3iv7B1 ILE 88 HG23 -0.08 -0.00 -0.04 -0.04 0.93 0.77 3iv7B1 ILE 88 HD13 -0.08 -0.01 -0.17 -0.04 0.88 0.57 3iv7B1 ASP 89 H -0.05 0.36 0.34 -0.55 8.40 8.50 3iv7B1 ASP 89 HA -0.04 0.23 0.81 -0.75 4.63 4.87 3iv7B1 ASP 89 HB2 -0.03 0.01 0.18 -0.04 2.71 2.83 3iv7B1 ASP 89 HB3 -0.03 0.11 -0.01 -0.04 2.70 2.73 3iv7B1 LEU 90 H -0.06 0.29 0.14 -0.55 8.37 8.19 3iv7B1 LEU 90 HA -0.05 0.22 0.48 -0.75 4.35 4.26 3iv7B1 LEU 90 HB2 -0.05 0.07 -0.14 -0.04 1.64 1.48 3iv7B1 LEU 90 HB3 -0.06 -0.13 -0.06 -0.04 1.64 1.35 3iv7B1 LEU 90 HG -0.06 0.07 -0.31 -0.04 1.64 1.30 3iv7B1 LEU 90 HD13 -0.04 0.03 -0.06 -0.04 0.93 0.82 3iv7B1 LEU 90 HD23 -0.05 -0.03 -0.12 -0.04 0.89 0.65 3iv7B1 LEU 91 H -0.05 0.72 0.20 -0.55 8.37 8.69 3iv7B1 LEU 91 HA -0.08 0.13 0.90 -0.75 4.35 4.55 3iv7B1 LEU 91 HB2 -0.04 0.08 0.06 -0.04 1.64 1.70 3iv7B1 LEU 91 HB3 -0.05 -0.09 -0.03 -0.04 1.64 1.43 3iv7B1 LEU 91 HG -0.05 0.02 -0.24 -0.04 1.64 1.32 3iv7B1 LEU 91 HD13 -0.05 0.00 -0.16 -0.04 0.93 0.68 3iv7B1 LEU 91 HD23 -0.08 0.00 -0.13 -0.04 0.89 0.64 3iv7B1 VAL 92 H -0.08 0.27 0.15 -0.55 8.24 8.03 3iv7B1 VAL 92 HA -0.05 0.32 0.92 -0.75 4.13 4.57 3iv7B1 VAL 92 HB -0.11 0.01 0.11 -0.04 2.12 2.10 3iv7B1 VAL 92 HG13 -0.05 -0.01 -0.15 -0.04 0.97 0.72 3iv7B1 VAL 92 HG23 -0.07 -0.00 -0.22 -0.04 0.95 0.61 3iv7B1 CYS 93 H -0.04 0.52 0.27 -0.55 8.50 8.70 3iv7B1 CYS 93 HA -0.01 0.33 1.12 -0.75 4.58 5.26 3iv7B1 CYS 93 HB2 -0.00 -0.11 -0.21 -0.04 2.97 2.61 3iv7B1 CYS 93 HB3 -0.01 0.03 -0.04 -0.04 2.97 2.91 3iv7B1 VAL 94 H 0.01 0.72 0.27 -0.55 8.24 8.70 3iv7B1 VAL 94 HA -0.01 0.36 1.03 -0.75 4.13 4.75 3iv7B1 VAL 94 HB 0.03 -0.05 0.19 -0.04 2.12 2.24 3iv7B1 VAL 94 HG13 0.01 -0.01 -0.05 -0.04 0.97 0.89 3iv7B1 VAL 94 HG23 0.02 0.02 -0.21 -0.04 0.95 0.74 3iv7B1 GLY 95 H -0.01 0.50 0.20 -0.55 8.43 8.57 3iv7B1 GLY 95 HA2 -0.01 0.11 0.32 -0.51 4.01 3.92 3iv7B1 GLY 95 HA3 -0.00 0.01 0.80 -0.51 4.01 4.31 3iv7B1 GLY 96 H -0.01 0.12 0.13 -0.55 8.43 8.13 3iv7B1 GLY 96 HA2 -0.01 0.13 0.62 -0.51 4.01 4.24 3iv7B1 GLY 96 HA3 -0.02 0.05 0.39 -0.51 4.01 3.92 3iv7B1 GLY 97 H -0.02 0.19 0.13 -0.55 8.43 8.18 3iv7B1 GLY 97 HA2 0.01 0.12 0.28 -0.51 4.01 3.91 3iv7B1 GLY 97 HA3 -0.03 0.15 0.29 -0.51 4.01 3.91 3iv7B1 SER 98 H -0.04 0.05 -0.17 -0.55 8.46 7.75 3iv7B1 SER 98 HA -0.02 0.00 0.32 -0.75 4.49 4.04 3iv7B1 SER 98 HB2 -0.03 0.00 -0.11 -0.04 3.95 3.76 3iv7B1 SER 98 HB3 -0.07 0.00 -0.06 -0.04 3.93 3.75 3iv7B1 THR 99 H -0.00 0.08 -0.41 -0.55 8.28 7.39 3iv7B1 THR 99 HA 0.02 0.12 0.42 -0.75 4.39 4.19 3iv7B1 THR 99 HB 0.00 0.10 -0.18 -0.04 4.32 4.20 3iv7B1 THR 99 HG23 0.02 0.07 -0.28 -0.04 1.22 0.99 3iv7B1 ILE 100 H 0.01 0.51 -0.12 -0.55 8.25 8.10 3iv7B1 ILE 100 HA 0.01 0.08 0.34 -0.75 4.18 3.86 3iv7B1 ILE 100 HB 0.02 -0.07 -0.03 -0.04 1.89 1.78 3iv7B1 ILE 100 HG12 -0.00 0.07 -0.10 -0.04 1.49 1.41 3iv7B1 ILE 100 HG13 0.00 -0.00 -0.18 -0.04 1.21 0.99 3iv7B1 ILE 100 HG23 0.03 0.02 -0.30 -0.04 0.93 0.65 3iv7B1 ILE 100 HD13 0.02 -0.07 -0.19 -0.04 0.88 0.60 3iv7B1 GLY 101 H 0.02 0.44 -0.34 -0.55 8.43 8.01 3iv7B1 GLY 101 HA2 0.07 0.08 0.35 -0.51 4.01 4.00 3iv7B1 GLY 101 HA3 0.05 0.03 0.27 -0.51 4.01 3.85 3iv7B1 LEU 102 H 0.03 0.30 -0.30 -0.55 8.37 7.85 3iv7B1 LEU 102 HA 0.03 0.04 0.47 -0.75 4.35 4.13 3iv7B1 LEU 102 HB2 0.04 -0.04 0.16 -0.04 1.64 1.76 3iv7B1 LEU 102 HB3 0.04 0.07 0.09 -0.04 1.64 1.80 3iv7B1 LEU 102 HG 0.01 0.03 -0.23 -0.04 1.64 1.41 3iv7B1 LEU 102 HD13 0.02 -0.02 -0.04 -0.04 0.93 0.85 3iv7B1 LEU 102 HD23 0.17 -0.03 -0.03 -0.04 0.89 0.95 3iv7B1 ALA 103 H 0.01 0.40 -0.16 -0.55 8.40 8.10 3iv7B1 ALA 103 HA -0.02 0.00 0.36 -0.75 4.34 3.93 3iv7B1 ALA 103 HB3 -0.01 0.03 0.02 -0.04 1.41 1.41 3iv7B1 LYS 104 H 0.03 0.51 -0.24 -0.55 8.42 8.17 3iv7B1 LYS 104 HA 0.03 0.11 0.35 -0.75 4.32 4.06 3iv7B1 LYS 104 HB2 0.09 0.03 0.16 -0.04 1.87 2.12 3iv7B1 LYS 104 HB3 0.14 -0.09 -0.03 -0.04 1.79 1.77 3iv7B1 LYS 104 HG2 0.06 0.40 0.07 -0.04 1.46 1.95 3iv7B1 LYS 104 HG3 0.05 0.06 -0.01 -0.04 1.46 1.52 3iv7B1 LYS 104 HD2 0.09 -0.20 -0.08 -0.04 1.69 1.46 3iv7B1 LYS 104 HD3 0.14 -0.01 -0.14 -0.04 1.68 1.62 3iv7B1 LYS 104 HE2 0.06 0.26 -0.04 -0.04 2.99 3.23 3iv7B1 LYS 104 HE3 0.06 -0.22 -0.13 -0.04 2.99 2.66 3iv7B1 ALA 105 H 0.02 0.44 -0.17 -0.55 8.40 8.15 3iv7B1 ALA 105 HA -0.09 -0.01 0.24 -0.75 4.34 3.72 3iv7B1 ALA 105 HB3 -0.01 -0.00 0.12 -0.04 1.41 1.47 3iv7B1 ILE 106 H -0.04 0.42 -0.29 -0.55 8.25 7.79 3iv7B1 ILE 106 HA -0.07 -0.02 0.45 -0.75 4.18 3.78 3iv7B1 ILE 106 HB -0.06 0.15 0.03 -0.04 1.89 1.97 3iv7B1 ILE 106 HG12 -0.10 -0.11 -0.25 -0.04 1.49 0.99 3iv7B1 ILE 106 HG13 -0.06 0.17 -0.03 -0.04 1.21 1.25 3iv7B1 ILE 106 HG23 -0.08 -0.04 -0.15 -0.04 0.93 0.63 3iv7B1 ILE 106 HD13 -0.13 -0.03 -0.15 -0.04 0.88 0.53 3iv7B1 ALA 107 H -0.04 0.52 -0.21 -0.55 8.40 8.12 3iv7B1 ALA 107 HA -0.05 -0.16 0.22 -0.75 4.34 3.61 3iv7B1 ALA 107 HB3 -0.02 0.07 0.04 -0.04 1.41 1.45 3iv7B1 THR 109 HA -0.09 -0.10 0.34 -0.75 4.39 3.79 3iv7B1 THR 109 HB -0.07 -0.07 0.05 -0.04 4.32 4.18 3iv7B1 THR 109 HG23 -0.13 -0.01 0.05 -0.04 1.22 1.09 3iv7B1 THR 110 H -0.07 0.50 -0.69 -0.55 8.28 7.48 3iv7B1 THR 110 HA -0.05 0.12 0.83 -0.75 4.39 4.54 3iv7B1 THR 110 HB -0.05 -0.03 -0.01 -0.04 4.32 4.19 3iv7B1 THR 110 HG23 -0.06 0.01 -0.06 -0.04 1.22 1.07 3iv7B1 ALA 111 H -0.05 0.67 0.09 -0.55 8.40 8.57 3iv7B1 ALA 111 HA -0.03 0.12 0.34 -0.75 4.34 4.01 3iv7B1 ALA 111 HB3 -0.03 0.01 0.04 -0.04 1.41 1.39 3iv7B1 LEU 112 H -0.04 -0.02 -0.41 -0.55 8.37 7.35 3iv7B1 LEU 112 HA -0.03 0.14 0.43 -0.75 4.35 4.14 3iv7B1 LEU 112 HB2 -0.05 -0.09 -0.17 -0.04 1.64 1.29 3iv7B1 LEU 112 HB3 -0.04 -0.00 -0.24 -0.04 1.64 1.32 3iv7B1 LEU 112 HG -0.04 0.02 -0.21 -0.04 1.64 1.37 3iv7B1 LEU 112 HD13 -0.06 -0.03 -0.21 -0.04 0.93 0.60 3iv7B1 LEU 112 HD23 -0.04 0.01 -0.15 -0.04 0.89 0.67 3iv7B1 PRO 113 HA -0.02 0.15 0.50 -0.51 4.44 4.56 3iv7B1 PRO 113 HB2 -0.02 -0.03 -0.02 -0.04 2.28 2.17 3iv7B1 PRO 113 HB3 -0.02 0.05 0.11 -0.04 2.02 2.11 3iv7B1 PRO 113 HG2 -0.03 -0.05 0.14 -0.04 2.03 2.05 3iv7B1 PRO 113 HG3 -0.02 0.05 0.12 -0.04 2.03 2.14 3iv7B1 PRO 113 HD2 -0.03 0.08 0.08 -0.04 3.68 3.77 3iv7B1 PRO 113 HD3 -0.03 0.20 0.22 -0.04 3.65 4.01 3iv7B1 ILE 114 H -0.02 0.17 0.22 -0.55 8.25 8.06 3iv7B1 ILE 114 HA -0.04 0.27 0.99 -0.75 4.18 4.65 3iv7B1 ILE 114 HB -0.01 -0.03 0.05 -0.04 1.89 1.85 3iv7B1 ILE 114 HG12 -0.03 -0.06 -0.22 -0.04 1.49 1.14 3iv7B1 ILE 114 HG13 -0.02 0.15 -0.27 -0.04 1.21 1.03 3iv7B1 ILE 114 HG23 -0.02 -0.04 -0.28 -0.04 0.93 0.54 3iv7B1 ILE 114 HD13 0.00 0.04 -0.33 -0.04 0.88 0.55 3iv7B1 VAL 115 H -0.04 0.71 0.31 -0.55 8.24 8.66 3iv7B1 VAL 115 HA -0.06 0.26 0.90 -0.75 4.13 4.47 3iv7B1 VAL 115 HB -0.05 -0.02 0.21 -0.04 2.12 2.22 3iv7B1 VAL 115 HG13 -0.06 -0.02 -0.17 -0.04 0.97 0.68 3iv7B1 VAL 115 HG23 -0.04 0.01 -0.10 -0.04 0.95 0.78 3iv7B1 ALA 116 H -0.09 0.72 0.31 -0.55 8.40 8.80 3iv7B1 ALA 116 HA -0.06 0.13 1.08 -0.75 4.34 4.73 3iv7B1 ALA 116 HB3 -0.06 -0.00 0.05 -0.04 1.41 1.35 3iv7B1 ILE 117 H -0.06 0.68 0.27 -0.55 8.25 8.59 3iv7B1 ILE 117 HA -0.13 0.37 1.02 -0.75 4.18 4.68 3iv7B1 ILE 117 HB -0.03 -0.04 0.28 -0.04 1.89 2.06 3iv7B1 ILE 117 HG12 -0.07 0.01 -0.34 -0.04 1.49 1.04 3iv7B1 ILE 117 HG13 -0.05 0.10 -0.23 -0.04 1.21 0.99 3iv7B1 ILE 117 HG23 -0.03 -0.00 0.01 -0.04 0.93 0.86 3iv7B1 ILE 117 HD13 -0.01 -0.02 -0.14 -0.04 0.88 0.66 3iv7B1 PRO 118 HA -0.01 0.24 0.53 -0.51 4.44 4.70 3iv7B1 PRO 118 HB2 0.15 0.07 -0.04 -0.04 2.28 2.42 3iv7B1 PRO 118 HB3 0.05 -0.12 0.07 -0.04 2.02 1.98 3iv7B1 PRO 118 HG2 -0.21 0.05 -0.04 -0.04 2.03 1.78 3iv7B1 PRO 118 HG3 -0.12 0.01 -0.10 -0.04 2.03 1.77 3iv7B1 PRO 118 HD2 -0.21 0.07 0.18 -0.04 3.68 3.68 3iv7B1 PRO 118 HD3 -0.30 0.36 0.05 -0.04 3.65 3.72 3iv7B1 THR 119 H -0.01 0.13 0.10 -0.55 8.28 7.95 3iv7B1 THR 119 HA -0.03 0.27 0.81 -0.75 4.39 4.68 3iv7B1 THR 119 HB -0.04 0.20 0.13 -0.04 4.32 4.56 3iv7B1 THR 119 HG23 -0.01 0.02 -0.15 -0.04 1.22 1.03 3iv7B1 THR 120 H -0.04 0.06 0.08 -0.55 8.28 7.83 3iv7B1 THR 120 HA -0.44 0.37 0.74 -0.75 4.39 4.30 3iv7B1 THR 120 HB -0.12 -0.01 0.20 -0.04 4.32 4.35 3iv7B1 THR 120 HG23 -0.08 0.02 -0.16 -0.04 1.22 0.96 3iv7B1 TYR 121 H -0.12 0.15 0.09 -0.55 8.29 7.86 3iv7B1 TYR 121 HA 0.07 0.24 0.72 -0.75 4.56 4.83 3iv7B1 TYR 121 HB2 0.00 0.04 -0.30 -0.04 3.06 2.76 3iv7B1 TYR 121 HB3 0.01 0.06 0.11 -0.04 2.98 3.12 3iv7B1 TYR 121 HD2 0.02 -0.00 -0.18 -0.04 7.15 6.94 3iv7B1 TYR 121 HE2 0.02 0.06 -0.10 -0.04 6.85 6.80 3iv7B1 ALA 122 H 0.08 -0.03 -0.23 -0.55 8.40 7.68 3iv7B1 ALA 122 HA 0.10 0.18 0.22 -0.75 4.34 4.08 3iv7B1 ALA 122 HB3 0.06 -0.02 0.06 -0.04 1.41 1.47 3iv7B1 GLY 123 H 0.16 0.04 -0.24 -0.55 8.43 7.84 3iv7B1 GLY 123 HA2 0.20 0.06 0.16 -0.51 4.01 3.92 3iv7B1 GLY 123 HA3 0.16 0.24 0.25 -0.51 4.01 4.15 3iv7B1 SER 124 H 0.10 -0.05 -0.31 -0.55 8.46 7.64 3iv7B1 SER 124 HA 0.08 0.15 0.24 -0.75 4.49 4.20 3iv7B1 SER 124 HB2 0.06 -0.06 -0.00 -0.04 3.95 3.91 3iv7B1 SER 124 HB3 0.05 -0.13 -0.05 -0.04 3.93 3.76 3iv7B1 GLU 125 H 0.09 -0.10 -0.41 -0.55 8.60 7.63 3iv7B1 GLU 125 HA 0.04 0.15 0.41 -0.75 4.29 4.14 3iv7B1 GLU 125 HB2 -0.02 0.11 0.02 -0.04 2.09 2.16 3iv7B1 GLU 125 HB3 0.01 -0.12 -0.01 -0.04 1.99 1.83 3iv7B1 GLU 125 HG2 0.22 0.14 -0.31 -0.04 2.34 2.36 3iv7B1 GLU 125 HG3 -0.04 0.04 -0.13 -0.04 2.34 2.16 3iv7B1 ALA 126 H 0.11 0.45 -0.46 -0.55 8.40 7.96 3iv7B1 ALA 126 HA 0.15 0.23 0.70 -0.75 4.34 4.67 3iv7B1 ALA 126 HB3 0.08 -0.03 -0.03 -0.04 1.41 1.39 3iv7B1 THR 127 H 0.05 0.41 -0.17 -0.55 8.28 8.02 3iv7B1 THR 127 HA -0.02 0.23 1.05 -0.75 4.39 4.90 3iv7B1 THR 127 HB -0.06 -0.05 0.08 -0.04 4.32 4.25 3iv7B1 THR 127 HG23 0.07 0.04 -0.17 -0.04 1.22 1.11 3iv7B1 ASN 128 H -0.04 0.15 0.08 -0.55 8.53 8.17 3iv7B1 ASN 128 HA 0.03 0.25 0.54 -0.75 4.76 4.83 3iv7B1 ASN 128 HB2 0.02 -0.09 -0.14 -0.04 2.88 2.63 3iv7B1 ASN 128 HB3 -0.00 0.09 -0.03 -0.04 2.79 2.80 3iv7B1 ASN 128 HD21 -0.06 0.07 -0.04 -0.04 7.03 6.94 3iv7B1 ASN 128 HD22 -0.03 -0.06 -0.08 -0.04 7.74 7.53 3iv7B1 VAL 129 H -0.01 0.10 -0.47 -0.55 8.24 7.31 3iv7B1 VAL 129 HA -0.14 0.28 0.98 -0.75 4.13 4.49 3iv7B1 VAL 129 HB -0.03 -0.05 0.03 -0.04 2.12 2.02 3iv7B1 VAL 129 HG13 -0.18 0.02 -0.13 -0.04 0.97 0.64 3iv7B1 VAL 129 HG23 -0.16 -0.03 -0.09 -0.04 0.95 0.63 3iv7B1 TRP 130 H -0.41 0.48 0.26 -0.55 7.97 7.75 3iv7B1 TRP 130 HA 0.02 0.17 0.84 -0.75 4.62 4.89 3iv7B1 TRP 130 HB2 0.01 0.01 -0.07 -0.04 3.23 3.14 3iv7B1 TRP 130 HB3 0.00 0.06 -0.14 -0.04 3.23 3.11 3iv7B1 TRP 130 HD1 -0.00 0.02 -0.27 -0.04 7.22 6.92 3iv7B1 TRP 130 HE1 -0.00 0.04 -0.31 -0.04 10.20 9.88 3iv7B1 TRP 130 HE3 0.02 0.03 -0.60 -0.04 7.59 7.00 3iv7B1 TRP 130 HZ2 0.00 0.01 -0.19 -0.04 7.44 7.22 3iv7B1 TRP 130 HZ3 0.02 0.03 -0.30 -0.04 7.13 6.84 3iv7B1 TRP 130 HH2 0.01 -0.01 -0.27 -0.04 7.19 6.89 3iv7B1 GLY 131 H 0.36 0.26 0.14 -0.55 8.43 8.65 3iv7B1 GLY 131 HA2 0.19 0.31 0.96 -0.51 4.01 4.96 3iv7B1 GLY 131 HA3 0.16 -0.06 0.21 -0.51 4.01 3.81 3iv7B1 LEU 132 H 0.31 0.69 0.38 -0.55 8.37 9.21 3iv7B1 LEU 132 HA 0.16 0.36 0.93 -0.75 4.35 5.05 3iv7B1 LEU 132 HB2 0.31 -0.03 0.01 -0.04 1.64 1.89 3iv7B1 LEU 132 HB3 0.11 -0.06 -0.03 -0.04 1.64 1.62 3iv7B1 LEU 132 HG 0.19 -0.02 -0.44 -0.04 1.64 1.33 3iv7B1 LEU 132 HD13 -0.22 -0.01 -0.10 -0.04 0.93 0.56 3iv7B1 LEU 132 HD23 0.02 0.02 0.04 -0.04 0.89 0.93 3iv7B1 THR 133 H 0.10 0.47 0.18 -0.55 8.28 8.48 3iv7B1 THR 133 HA 0.07 0.33 0.95 -0.75 4.39 4.99 3iv7B1 THR 133 HB 0.08 -0.14 -0.11 -0.04 4.32 4.12 3iv7B1 THR 133 HG23 0.02 -0.04 -0.34 -0.04 1.22 0.82 3iv7B1 GLU 134 H 0.04 0.75 0.09 -0.55 8.60 8.93 3iv7B1 GLU 134 HA 0.03 -0.08 0.66 -0.75 4.29 4.15 3iv7B1 GLU 134 HB2 0.04 0.03 -0.08 -0.04 2.09 2.04 3iv7B1 GLU 134 HB3 0.04 0.11 0.06 -0.04 1.99 2.16 3iv7B1 GLU 134 HG2 0.02 0.04 -0.18 -0.04 2.34 2.18 3iv7B1 GLU 134 HG3 0.02 -0.10 0.05 -0.04 2.34 2.27 3iv7B1 ALA 135 H 0.02 0.10 0.12 -0.55 8.40 8.09 3iv7B1 ALA 135 HA 0.01 0.03 0.36 -0.75 4.34 3.99 3iv7B1 ALA 135 HB3 0.01 0.10 0.11 -0.04 1.41 1.59 3iv7B1 ALA 136 H 0.01 0.01 -0.08 -0.55 8.40 7.80 3iv7B1 ALA 136 HA -0.01 -0.00 0.22 -0.75 4.34 3.79 3iv7B1 ALA 136 HB3 -0.01 0.07 -0.01 -0.04 1.41 1.42 3iv7B1 ARG 137 H 0.01 0.09 -0.96 -0.55 8.46 7.06 3iv7B1 ARG 137 HA 0.00 0.17 0.85 -0.75 4.34 4.60 3iv7B1 ARG 137 HB2 0.02 0.06 -0.01 -0.04 1.90 1.93 3iv7B1 ARG 137 HB3 0.03 0.08 0.13 -0.04 1.80 2.00 3iv7B1 ARG 137 HG2 0.04 -0.05 -0.05 -0.04 1.67 1.56 3iv7B1 ARG 137 HG3 0.04 0.15 -0.19 -0.04 1.67 1.62 3iv7B1 ARG 137 HD2 0.01 0.02 0.03 -0.04 3.22 3.25 3iv7B1 ARG 137 HD3 0.02 -0.04 -0.00 -0.04 3.22 3.16 3iv7B1 LYS 138 H 0.00 0.19 0.14 -0.55 8.42 8.20 3iv7B1 LYS 138 HA 0.06 0.22 0.85 -0.75 4.32 4.70 3iv7B1 THR 139 H 0.14 0.92 0.46 -0.55 8.28 9.25 3iv7B1 THR 139 HA 0.06 0.14 0.86 -0.75 4.39 4.70 3iv7B1 THR 139 HB 0.19 0.03 0.04 -0.04 4.32 4.54 3iv7B1 THR 139 HG23 0.10 0.01 -0.24 -0.04 1.22 1.05 3iv7B1 THR 140 H -0.16 0.21 0.19 -0.55 8.28 7.97 3iv7B1 THR 140 HA -0.81 0.31 1.08 -0.75 4.39 4.22 3iv7B1 THR 140 HB -0.40 0.07 0.11 -0.04 4.32 4.06 3iv7B1 THR 140 HG23 -0.03 -0.03 -0.19 -0.04 1.22 0.93 3iv7B1 GLY 141 H -1.56 0.57 0.34 -0.55 8.43 7.24 3iv7B1 GLY 141 HA2 -0.48 0.08 0.56 -0.51 4.01 3.66 3iv7B1 GLY 141 HA3 -0.82 0.06 0.27 -0.51 4.01 3.01 3iv7B1 VAL 142 H -0.10 0.22 0.20 -0.55 8.24 8.01 3iv7B1 VAL 142 HA -0.11 0.33 0.99 -0.75 4.13 4.59 3iv7B1 VAL 142 HB -0.06 -0.04 0.13 -0.04 2.12 2.10 3iv7B1 VAL 142 HG13 -0.03 -0.01 -0.15 -0.04 0.97 0.74 3iv7B1 VAL 142 HG23 -0.15 -0.01 -0.14 -0.04 0.95 0.61 3iv7B1 ASP 143 H 0.12 0.85 0.26 -0.55 8.40 9.07 3iv7B1 ASP 143 HA 0.09 0.04 0.40 -0.75 4.63 4.40 3iv7B1 ASP 143 HB2 0.28 0.13 -0.08 -0.04 2.71 3.01 3iv7B1 ASP 143 HB3 0.24 0.00 -0.02 -0.04 2.70 2.89 3iv7B1 LEU 144 H 0.04 0.17 0.11 -0.55 8.37 8.14 3iv7B1 LEU 144 HA 0.02 0.08 0.42 -0.75 4.35 4.11 3iv7B1 LEU 144 HB2 0.01 -0.02 0.13 -0.04 1.64 1.72 3iv7B1 LEU 144 HB3 0.01 -0.01 0.09 -0.04 1.64 1.69 3iv7B1 LEU 144 HG 0.01 0.08 -0.11 -0.04 1.64 1.58 3iv7B1 LEU 144 HD13 0.01 0.01 0.07 -0.04 0.93 0.98 3iv7B1 LEU 144 HD23 0.00 -0.01 0.01 -0.04 0.89 0.85 3iv7B1 LYS 145 H 0.03 -0.01 -0.32 -0.55 8.42 7.56 3iv7B1 LYS 145 HA 0.01 0.11 0.36 -0.75 4.32 4.05 3iv7B1 LYS 145 HB2 0.01 -0.10 -0.03 -0.04 1.87 1.71 3iv7B1 LYS 145 HB3 -0.01 0.14 -0.05 -0.04 1.79 1.83 3iv7B1 LYS 145 HG2 -0.01 0.06 0.03 -0.04 1.46 1.50 3iv7B1 LYS 145 HG3 0.00 -0.12 0.00 -0.04 1.46 1.30 3iv7B1 LYS 145 HD2 -0.03 0.19 0.03 -0.04 1.69 1.84 3iv7B1 LYS 145 HD3 -0.02 -0.00 0.00 -0.04 1.68 1.62 3iv7B1 LYS 145 HE2 -0.02 -0.05 -0.07 -0.04 2.99 2.81 3iv7B1 LYS 145 HE3 -0.04 0.06 -0.07 -0.04 2.99 2.89 3iv7B1 VAL 146 H 0.08 0.38 -0.35 -0.55 8.24 7.80 3iv7B1 VAL 146 HA 0.04 0.16 0.58 -0.75 4.13 4.16 3iv7B1 VAL 146 HB 0.13 -0.10 -0.03 -0.04 2.12 2.08 3iv7B1 VAL 146 HG13 0.12 -0.01 -0.16 -0.04 0.97 0.87 3iv7B1 VAL 146 HG23 0.18 0.09 -0.38 -0.04 0.95 0.81 3iv7B1 LEU 147 H 0.04 0.17 -0.26 -0.55 8.37 7.77 3iv7B1 LEU 147 HA 0.04 0.24 0.47 -0.75 4.35 4.34 3iv7B1 LEU 147 HB2 0.02 -0.21 -0.08 -0.04 1.64 1.34 3iv7B1 LEU 147 HB3 0.02 0.12 0.09 -0.04 1.64 1.83 3iv7B1 LEU 147 HG 0.03 0.24 -0.39 -0.04 1.64 1.48 3iv7B1 LEU 147 HD13 0.04 -0.03 -0.35 -0.04 0.93 0.55 3iv7B1 LEU 147 HD23 0.02 -0.04 -0.12 -0.04 0.89 0.71 3iv7B1 PRO 148 HA -0.01 -0.05 0.52 -0.51 4.44 4.39 3iv7B1 PRO 148 HB2 -0.01 0.03 -0.01 -0.04 2.28 2.24 3iv7B1 PRO 148 HB3 -0.03 -0.10 -0.03 -0.04 2.02 1.83 3iv7B1 PRO 148 HG2 0.01 -0.13 0.16 -0.04 2.03 2.03 3iv7B1 PRO 148 HG3 0.00 -0.06 0.03 -0.04 2.03 1.96 3iv7B1 PRO 148 HD2 0.04 0.21 0.19 -0.04 3.68 4.08 3iv7B1 PRO 148 HD3 0.03 0.35 0.30 -0.04 3.65 4.30 3iv7B1 GLU 149 H -0.02 0.20 0.38 -0.55 8.60 8.61 3iv7B1 GLU 149 HA -0.00 0.16 0.52 -0.75 4.29 4.22 3iv7B1 GLU 149 HB2 -0.02 0.01 0.17 -0.04 2.09 2.21 3iv7B1 GLU 149 HB3 -0.01 -0.08 0.05 -0.04 1.99 1.91 3iv7B1 GLU 149 HG2 -0.00 0.03 0.04 -0.04 2.34 2.37 3iv7B1 GLU 149 HG3 -0.01 0.06 0.13 -0.04 2.34 2.48 3iv7B1 THR 150 H -0.04 0.38 0.15 -0.55 8.28 8.23 3iv7B1 THR 150 HA -0.06 0.30 1.00 -0.75 4.39 4.88 3iv7B1 THR 150 HB -0.06 -0.08 0.07 -0.04 4.32 4.21 3iv7B1 THR 150 HG23 -0.10 -0.02 -0.18 -0.04 1.22 0.88 3iv7B1 VAL 151 H -0.15 0.72 0.35 -0.55 8.24 8.61 3iv7B1 VAL 151 HA -0.22 0.23 1.05 -0.75 4.13 4.43 3iv7B1 VAL 151 HB -0.35 -0.05 0.14 -0.04 2.12 1.82 3iv7B1 VAL 151 HG13 -0.87 -0.04 -0.17 -0.04 0.97 -0.15 3iv7B1 VAL 151 HG23 -0.08 0.01 -0.18 -0.04 0.95 0.66 3iv7B1 ILE 152 H -0.25 0.75 0.24 -0.55 8.25 8.44 3iv7B1 ILE 152 HA -0.29 0.17 0.97 -0.75 4.18 4.27 3iv7B1 ILE 152 HB -0.11 0.01 0.07 -0.04 1.89 1.82 3iv7B1 ILE 152 HG12 -0.22 0.06 -0.18 -0.04 1.49 1.11 3iv7B1 ILE 152 HG13 -0.14 -0.02 -0.36 -0.04 1.21 0.65 3iv7B1 ILE 152 HG23 -0.01 -0.01 -0.17 -0.04 0.93 0.70 3iv7B1 ILE 152 HD13 -0.00 0.00 -0.23 -0.04 0.88 0.61 3iv7B1 TYR 153 H -0.11 0.29 0.11 -0.55 8.29 8.03 3iv7B1 TYR 153 HA -0.12 0.22 0.94 -0.75 4.56 4.84 3iv7B1 TYR 153 HB2 -0.25 0.03 0.14 -0.04 3.06 2.94 3iv7B1 TYR 153 HB3 -0.44 -0.06 -0.11 -0.04 2.98 2.32 3iv7B1 TYR 153 HD2 0.01 0.03 -0.06 -0.04 7.15 7.09 3iv7B1 TYR 153 HE2 -0.27 -0.01 -0.08 -0.04 6.85 6.45 3iv7B1 ASP 154 H 0.00 0.40 0.03 -0.55 8.40 8.28 3iv7B1 ASP 154 HA -0.09 0.17 0.82 -0.75 4.63 4.78 3iv7B1 ASP 154 HB2 0.01 0.09 -0.10 -0.04 2.71 2.67 3iv7B1 ASP 154 HB3 -0.02 0.11 0.16 -0.04 2.70 2.90 3iv7B1 SER 155 H -0.06 0.17 -0.05 -0.55 8.46 7.98 3iv7B1 SER 155 HA 0.06 0.16 0.19 -0.75 4.49 4.14 3iv7B1 SER 155 HB2 0.14 0.08 -0.11 -0.04 3.95 4.02 3iv7B1 SER 155 HB3 0.07 0.06 -0.11 -0.04 3.93 3.91 3iv7B1 GLU 156 H -0.02 -0.11 -0.32 -0.55 8.60 7.60 3iv7B1 GLU 156 HA 0.16 0.15 0.41 -0.75 4.29 4.26 3iv7B1 GLU 156 HB2 -0.70 -0.09 0.13 -0.04 2.09 1.38 3iv7B1 GLU 156 HB3 -0.21 -0.08 0.08 -0.04 1.99 1.74 3iv7B1 GLU 156 HG2 -0.05 0.08 -0.11 -0.04 2.34 2.21 3iv7B1 GLU 156 HG3 0.01 0.07 0.08 -0.04 2.34 2.46 3iv7B1 LEU 157 H -0.01 0.33 -0.20 -0.55 8.37 7.94 3iv7B1 LEU 157 HA -0.00 0.09 0.42 -0.75 4.35 4.09 3iv7B1 LEU 157 HB2 -0.00 0.16 0.07 -0.04 1.64 1.82 3iv7B1 LEU 157 HB3 -0.01 -0.03 0.09 -0.04 1.64 1.65 3iv7B1 LEU 157 HG -0.03 -0.15 0.07 -0.04 1.64 1.49 3iv7B1 LEU 157 HD13 -0.01 -0.00 -0.01 -0.04 0.93 0.86 3iv7B1 LEU 157 HD23 -0.01 -0.00 -0.06 -0.04 0.89 0.77 3iv7B1 THR 158 H 0.02 0.35 -0.47 -0.55 8.28 7.63 3iv7B1 THR 158 HA -0.06 0.21 0.77 -0.75 4.39 4.56 3iv7B1 THR 158 HB -0.10 -0.02 0.07 -0.04 4.32 4.23 3iv7B1 THR 158 HG23 -0.01 -0.04 -0.18 -0.04 1.22 0.95 3iv7B1 SER 160 HA -0.02 -0.07 0.23 -0.75 4.49 3.88 3iv7B1 SER 160 HB2 0.02 -0.06 0.08 -0.04 3.95 3.94 3iv7B1 SER 160 HB3 0.03 -0.02 0.08 -0.04 3.93 3.98 3iv7B1 LEU 161 H -0.04 0.44 -0.77 -0.55 8.37 7.45 3iv7B1 LEU 161 HA -0.03 -0.06 0.58 -0.75 4.35 4.09 3iv7B1 LEU 161 HB2 -0.08 -0.00 0.18 -0.04 1.64 1.70 3iv7B1 LEU 161 HB3 -0.06 0.11 0.27 -0.04 1.64 1.92 3iv7B1 LEU 161 HG -0.03 0.18 0.01 -0.04 1.64 1.75 3iv7B1 LEU 161 HD13 -0.05 -0.04 0.07 -0.04 0.93 0.87 3iv7B1 LEU 161 HD23 -0.17 -0.04 0.13 -0.04 0.89 0.78 3iv7B1 PRO 162 HA 0.01 0.06 0.33 -0.51 4.44 4.32 3iv7B1 PRO 162 HB2 0.02 -0.10 0.07 -0.04 2.28 2.23 3iv7B1 PRO 162 HB3 0.02 -0.02 0.16 -0.04 2.02 2.13 3iv7B1 PRO 162 HG2 0.01 -0.05 0.13 -0.04 2.03 2.08 3iv7B1 PRO 162 HG3 0.01 0.09 0.15 -0.04 2.03 2.24 3iv7B1 PRO 162 HD2 -0.00 -0.04 0.25 -0.04 3.68 3.85 3iv7B1 PRO 162 HD3 -0.00 0.35 0.41 -0.04 3.65 4.36 3iv7B1 VAL 163 H 0.02 0.09 0.17 -0.55 8.24 7.97 3iv7B1 VAL 163 HA 0.03 0.14 0.33 -0.75 4.13 3.88 3iv7B1 VAL 163 HB 0.03 -0.10 0.16 -0.04 2.12 2.17 3iv7B1 VAL 163 HG13 0.03 0.02 -0.11 -0.04 0.97 0.87 3iv7B1 VAL 163 HG23 0.02 0.04 0.06 -0.04 0.95 1.04 3iv7B1 GLU 164 H 0.03 0.02 -0.15 -0.55 8.60 7.96 3iv7B1 GLU 164 HA 0.04 0.17 0.20 -0.75 4.29 3.95 3iv7B1 GLU 164 HB2 0.04 -0.01 0.09 -0.04 2.09 2.16 3iv7B1 GLU 164 HB3 0.05 -0.01 0.12 -0.04 1.99 2.10 3iv7B1 GLU 164 HG2 0.04 0.12 0.03 -0.04 2.34 2.49 3iv7B1 GLU 164 HG3 0.03 -0.04 0.06 -0.04 2.34 2.35 3iv7B1 SER 166 HA 0.12 -0.19 0.31 -0.75 4.49 3.97 3iv7B1 SER 166 HB2 0.09 0.10 0.02 -0.04 3.95 4.12 3iv7B1 SER 166 HB3 0.23 -0.11 -0.05 -0.04 3.93 3.96 3iv7B1 VAL 167 H 0.07 0.73 -0.85 -0.55 8.24 7.65 3iv7B1 VAL 167 HA 0.05 -0.00 0.51 -0.75 4.13 3.94 3iv7B1 VAL 167 HB 0.04 0.13 0.18 -0.04 2.12 2.43 3iv7B1 VAL 167 HG13 0.03 0.01 -0.20 -0.04 0.97 0.77 3iv7B1 VAL 167 HG23 0.04 0.06 0.01 -0.04 0.95 1.02 3iv7B1 ALA 168 H 0.05 0.75 0.36 -0.55 8.40 9.01 3iv7B1 ALA 168 HA 0.02 0.08 0.36 -0.75 4.34 4.05 3iv7B1 ALA 168 HB3 0.01 -0.03 -0.08 -0.04 1.41 1.27 3iv7B1 SER 169 H 0.07 0.25 -0.25 -0.55 8.46 7.98 3iv7B1 SER 169 HA 0.05 -0.04 0.39 -0.75 4.49 4.13 3iv7B1 SER 169 HB2 0.04 0.04 0.08 -0.04 3.95 4.07 3iv7B1 SER 169 HB3 0.19 0.27 0.07 -0.04 3.93 4.42 3iv7B1 GLY 170 H 0.17 0.61 -0.25 -0.55 8.43 8.41 3iv7B1 GLY 170 HA2 -0.05 -0.02 0.49 -0.51 4.01 3.93 3iv7B1 GLY 170 HA3 -0.06 0.18 0.34 -0.51 4.01 3.96 3iv7B1 LEU 171 H 0.01 0.55 -0.22 -0.55 8.37 8.16 3iv7B1 LEU 171 HA -0.04 0.03 0.44 -0.75 4.35 4.03 3iv7B1 LEU 171 HB2 0.00 0.09 0.13 -0.04 1.64 1.82 3iv7B1 LEU 171 HB3 -0.01 -0.02 0.03 -0.04 1.64 1.61 3iv7B1 LEU 171 HG 0.00 0.10 0.00 -0.04 1.64 1.70 3iv7B1 LEU 171 HD13 0.02 0.01 -0.07 -0.04 0.93 0.85 3iv7B1 LEU 171 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.78 3iv7B1 ASN 172 H -0.06 0.35 -0.26 -0.55 8.53 8.02 3iv7B1 ASN 172 HA -0.22 -0.02 0.42 -0.75 4.76 4.19 3iv7B1 ASN 172 HB2 -0.15 0.01 0.13 -0.04 2.88 2.83 3iv7B1 ASN 172 HB3 -0.12 0.23 0.14 -0.04 2.79 3.00 3iv7B1 ASN 172 HD21 0.23 -0.01 -0.06 -0.04 7.03 7.14 3iv7B1 ASN 172 HD22 0.03 -0.10 -0.04 -0.04 7.74 7.59 3iv7B1 GLY 173 H -0.10 0.44 -0.19 -0.55 8.43 8.03 3iv7B1 GLY 173 HA2 -0.16 0.04 0.38 -0.51 4.01 3.76 3iv7B1 GLY 173 HA3 -0.05 0.13 0.31 -0.51 4.01 3.89 3iv7B1 LEU 174 H -0.11 0.55 -0.16 -0.55 8.37 8.10 3iv7B1 LEU 174 HA -0.10 0.03 0.40 -0.75 4.35 3.93 3iv7B1 LEU 174 HB2 -0.05 0.12 0.08 -0.04 1.64 1.75 3iv7B1 LEU 174 HB3 -0.06 0.12 0.07 -0.04 1.64 1.73 3iv7B1 LEU 174 HG 0.00 -0.10 -0.06 -0.04 1.64 1.45 3iv7B1 LEU 174 HD13 -0.11 -0.00 0.01 -0.04 0.93 0.79 3iv7B1 LEU 174 HD23 0.14 0.01 -0.06 -0.04 0.89 0.94 3iv7B1 ALA 175 H -0.21 0.45 -0.50 -0.55 8.40 7.59 3iv7B1 ALA 175 HA -0.26 -0.05 0.45 -0.75 4.34 3.72 3iv7B1 ALA 175 HB3 -0.53 0.05 0.03 -0.04 1.41 0.91 3iv7B1 HIS 176 H -0.30 0.45 -0.17 -0.55 8.41 7.85 3iv7B1 HIS 176 HA -0.03 -0.04 0.45 -0.75 4.63 4.26 3iv7B1 HIS 176 HB2 -0.11 0.16 0.01 -0.04 3.26 3.28 3iv7B1 HIS 176 HB3 -0.13 0.08 -0.11 -0.04 3.20 2.99 3iv7B1 HIS 176 HD2 -0.09 0.00 -0.11 -0.04 6.97 6.73 3iv7B1 HIS 176 HE1 -0.23 -0.09 -0.08 -0.04 7.75 7.31 3iv7B1 CYS 177 H -0.05 0.34 -0.39 -0.55 8.50 7.86 3iv7B1 CYS 177 HA -0.06 0.04 0.39 -0.75 4.58 4.20 3iv7B1 CYS 177 HB2 -0.12 0.13 0.18 -0.04 2.97 3.12 3iv7B1 CYS 177 HB3 -0.14 0.01 0.00 -0.04 2.97 2.80 3iv7B1 ILE 178 H -0.14 0.63 0.05 -0.55 8.25 8.24 3iv7B1 ILE 178 HA -0.31 0.04 0.26 -0.75 4.18 3.42 3iv7B1 ILE 178 HB -0.13 0.03 0.09 -0.04 1.89 1.84 3iv7B1 ILE 178 HG12 -0.04 -0.05 -0.03 -0.04 1.49 1.33 3iv7B1 ILE 178 HG13 -0.09 0.09 0.04 -0.04 1.21 1.20 3iv7B1 ILE 178 HG23 -0.10 -0.02 -0.20 -0.04 0.93 0.56 3iv7B1 ILE 178 HD13 0.13 -0.01 -0.09 -0.04 0.88 0.87 3iv7B1 ASP 179 H -0.16 0.55 -0.07 -0.55 8.40 8.18 3iv7B1 ASP 179 HA -0.38 -0.02 0.37 -0.75 4.63 3.84 3iv7B1 ASP 179 HB2 0.11 0.08 0.11 -0.04 2.71 2.97 3iv7B1 ASP 179 HB3 0.37 0.15 0.03 -0.04 2.70 3.20 3iv7B1 SER 180 H -0.14 0.35 -0.56 -0.55 8.46 7.56 3iv7B1 SER 180 HA -0.06 0.05 0.30 -0.75 4.49 4.02 3iv7B1 SER 180 HB2 -0.07 0.20 0.10 -0.04 3.95 4.14 3iv7B1 SER 180 HB3 -0.04 -0.10 -0.05 -0.04 3.93 3.70 3iv7B1 LEU 181 H -0.53 0.36 -0.40 -0.55 8.37 7.26 3iv7B1 LEU 181 HA -0.17 -0.01 0.41 -0.75 4.35 3.83 3iv7B1 LEU 181 HB2 -0.67 0.22 0.10 -0.04 1.64 1.25 3iv7B1 LEU 181 HB3 -0.16 -0.14 0.09 -0.04 1.64 1.39 3iv7B1 LEU 181 HG -0.26 0.24 0.04 -0.04 1.64 1.61 3iv7B1 LEU 181 HD13 -0.16 -0.01 -0.02 -0.04 0.93 0.70 3iv7B1 LEU 181 HD23 -0.12 -0.03 0.01 -0.04 0.89 0.72 3iv7B1 TRP 182 H -0.80 0.36 -0.40 -0.55 7.97 6.58 3iv7B1 TRP 182 HA 0.03 0.17 0.71 -0.75 4.62 4.78 3iv7B1 TRP 182 HB2 0.05 0.04 0.24 -0.04 3.23 3.52 3iv7B1 TRP 182 HB3 0.04 -0.04 0.03 -0.04 3.23 3.22 3iv7B1 TRP 182 HD1 0.09 -0.04 -0.13 -0.04 7.22 7.10 3iv7B1 TRP 182 HE1 0.13 -0.28 0.02 -0.04 10.20 10.03 3iv7B1 TRP 182 HE3 0.04 0.00 -0.13 -0.04 7.59 7.46 3iv7B1 TRP 182 HZ2 0.08 -0.13 -0.26 -0.04 7.44 7.09 3iv7B1 TRP 182 HZ3 0.04 -0.05 -0.14 -0.04 7.13 6.94 3iv7B1 TRP 182 HH2 0.05 -0.11 -0.13 -0.04 7.19 6.97 3iv7B1 GLY 183 H -0.03 0.32 -0.17 -0.55 8.43 8.00 3iv7B1 GLY 183 HA2 0.18 -0.06 0.29 -0.51 4.01 3.90 3iv7B1 GLY 183 HA3 0.04 0.12 0.23 -0.51 4.01 3.88 3iv7B1 PRO 184 HA 0.06 0.02 0.37 -0.51 4.44 4.39 3iv7B1 PRO 184 HB2 0.00 0.02 -0.01 -0.04 2.28 2.25 3iv7B1 PRO 184 HB3 0.03 -0.08 0.13 -0.04 2.02 2.06 3iv7B1 PRO 184 HG2 -0.03 0.06 0.07 -0.04 2.03 2.10 3iv7B1 PRO 184 HG3 0.01 0.09 0.03 -0.04 2.03 2.12 3iv7B1 PRO 184 HD2 0.03 0.22 -0.28 -0.04 3.68 3.61 3iv7B1 PRO 184 HD3 0.10 0.05 -0.11 -0.04 3.65 3.65 3iv7B1 ASN 185 H -0.00 0.68 -0.21 -0.55 8.53 8.44 3iv7B1 ASN 185 HA 0.02 0.16 0.85 -0.75 4.76 5.04 3iv7B1 ASN 185 HB2 -0.04 0.17 0.07 -0.04 2.88 3.04 3iv7B1 ASN 185 HB3 -0.00 -0.06 0.19 -0.04 2.79 2.87 3iv7B1 ASN 185 HD21 -0.00 -0.09 -0.08 -0.04 7.03 6.82 3iv7B1 ASN 185 HD22 0.02 0.07 0.05 -0.04 7.74 7.83 3iv7B1 ALA 186 H 0.03 0.53 -0.26 -0.55 8.40 8.16 3iv7B1 ALA 186 HA -0.02 -0.07 0.43 -0.75 4.34 3.93 3iv7B1 ALA 186 HB3 0.02 -0.02 -0.01 -0.04 1.41 1.36 3iv7B1 ASP 187 H -0.06 0.10 0.26 -0.55 8.40 8.15 3iv7B1 ASP 187 HA -0.12 0.24 0.57 -0.75 4.63 4.56 3iv7B1 ASP 187 HB2 -0.45 -0.03 0.15 -0.04 2.71 2.34 3iv7B1 ASP 187 HB3 0.02 0.29 -0.17 -0.04 2.70 2.79 3iv7B1 PRO 188 HA -0.17 0.12 0.42 -0.51 4.44 4.30 3iv7B1 PRO 188 HB2 -0.31 0.03 -0.03 -0.04 2.28 1.92 3iv7B1 PRO 188 HB3 -0.16 0.06 0.08 -0.04 2.02 1.95 3iv7B1 PRO 188 HG2 -0.41 0.06 0.03 -0.04 2.03 1.67 3iv7B1 PRO 188 HG3 -0.19 0.09 0.05 -0.04 2.03 1.93 3iv7B1 PRO 188 HD2 -1.51 0.07 0.15 -0.04 3.68 2.35 3iv7B1 PRO 188 HD3 -0.47 0.25 0.19 -0.04 3.65 3.58 3iv7B1 ILE 189 H -0.46 0.14 -0.22 -0.55 8.25 7.16 3iv7B1 ILE 189 HA -0.22 0.13 0.53 -0.75 4.18 3.86 3iv7B1 ILE 189 HB -0.79 -0.00 0.06 -0.04 1.89 1.11 3iv7B1 ILE 189 HG12 -0.23 0.03 -0.03 -0.04 1.49 1.22 3iv7B1 ILE 189 HG13 -0.44 -0.06 -0.01 -0.04 1.21 0.66 3iv7B1 ILE 189 HG23 -0.31 0.02 -0.15 -0.04 0.93 0.46 3iv7B1 ILE 189 HD13 -0.23 0.02 -0.04 -0.04 0.88 0.59 3iv7B1 ASN 190 H -0.14 0.12 -0.06 -0.55 8.53 7.91 3iv7B1 ASN 190 HA -0.04 0.07 0.46 -0.75 4.76 4.50 3iv7B1 ASN 190 HB2 -0.02 0.11 0.22 -0.04 2.88 3.15 3iv7B1 ASN 190 HB3 0.11 0.04 0.15 -0.04 2.79 3.05 3iv7B1 ASN 190 HD21 0.01 0.44 0.05 -0.04 7.03 7.49 3iv7B1 ASN 190 HD22 0.07 -0.02 -0.09 -0.04 7.74 7.66 3iv7B1 ALA 191 H -0.12 0.39 -0.41 -0.55 8.40 7.71 3iv7B1 ALA 191 HA -0.10 0.07 0.35 -0.75 4.34 3.91 3iv7B1 ALA 191 HB3 -0.09 0.04 0.07 -0.04 1.41 1.38 3iv7B1 VAL 192 H -0.11 0.45 -0.10 -0.55 8.24 7.93 3iv7B1 VAL 192 HA -0.08 0.00 0.46 -0.75 4.13 3.76 3iv7B1 VAL 192 HB -0.08 0.00 0.14 -0.04 2.12 2.14 3iv7B1 VAL 192 HG13 -0.10 0.03 0.18 -0.04 0.97 1.04 3iv7B1 VAL 192 HG23 -0.05 -0.02 -0.07 -0.04 0.95 0.77 3iv7B1 LEU 193 H -0.09 0.49 -0.20 -0.55 8.37 8.03 3iv7B1 LEU 193 HA -0.09 0.02 0.38 -0.75 4.35 3.92 3iv7B1 LEU 193 HB2 -0.08 0.10 0.11 -0.04 1.64 1.73 3iv7B1 LEU 193 HB3 -0.11 0.02 0.03 -0.04 1.64 1.54 3iv7B1 LEU 193 HG -0.08 0.11 0.02 -0.04 1.64 1.64 3iv7B1 LEU 193 HD13 -0.06 -0.00 -0.09 -0.04 0.93 0.74 3iv7B1 LEU 193 HD23 -0.06 -0.02 -0.04 -0.04 0.89 0.73 3iv7B1 ALA 194 H -0.09 0.58 -0.12 -0.55 8.40 8.22 3iv7B1 ALA 194 HA -0.10 0.02 0.45 -0.75 4.34 3.95 3iv7B1 ALA 194 HB3 -0.11 0.04 0.11 -0.04 1.41 1.41 3iv7B1 ALA 195 H -0.10 0.50 -0.22 -0.55 8.40 8.03 3iv7B1 ALA 195 HA -0.15 0.00 0.33 -0.75 4.34 3.77 3iv7B1 ALA 195 HB3 -0.09 0.04 0.06 -0.04 1.41 1.38 3iv7B1 GLU 196 H -0.09 0.53 -0.12 -0.55 8.60 8.37 3iv7B1 GLU 196 HA -0.05 0.02 0.52 -0.75 4.29 4.03 3iv7B1 GLU 196 HB2 -0.03 0.01 0.11 -0.04 2.09 2.13 3iv7B1 GLU 196 HB3 -0.08 0.11 0.15 -0.04 1.99 2.13 3iv7B1 GLU 196 HG2 0.04 -0.01 -0.04 -0.04 2.34 2.30 3iv7B1 GLU 196 HG3 0.01 -0.02 -0.23 -0.04 2.34 2.06 3iv7B1 GLY 197 H -0.13 0.56 -0.24 -0.55 8.43 8.07 3iv7B1 GLY 197 HA2 -0.15 -0.05 0.54 -0.51 4.01 3.84 3iv7B1 GLY 197 HA3 -0.13 0.08 0.29 -0.51 4.01 3.75 3iv7B1 ILE 198 H -0.16 0.58 -0.10 -0.55 8.25 8.01 3iv7B1 ILE 198 HA -0.22 -0.04 0.39 -0.75 4.18 3.55 3iv7B1 ILE 198 HB -0.31 0.16 0.16 -0.04 1.89 1.86 3iv7B1 ILE 198 HG12 -0.25 -0.06 0.02 -0.04 1.49 1.15 3iv7B1 ILE 198 HG13 -0.20 0.19 0.04 -0.04 1.21 1.20 3iv7B1 ILE 198 HG23 -0.97 0.00 -0.21 -0.04 0.93 -0.29 3iv7B1 ILE 198 HD13 -0.23 -0.03 -0.11 -0.04 0.88 0.47 3iv7B1 ARG 199 H -0.15 0.56 -0.10 -0.55 8.46 8.21 3iv7B1 ARG 199 HA -0.13 0.24 0.41 -0.75 4.34 4.11 3iv7B1 ARG 199 HB2 -0.08 0.03 0.19 -0.04 1.90 2.00 3iv7B1 ARG 199 HB3 -0.04 0.06 0.20 -0.04 1.80 1.99 3iv7B1 ARG 199 HG2 -0.03 -0.07 -0.13 -0.04 1.67 1.40 3iv7B1 ARG 199 HG3 -0.04 0.10 0.08 -0.04 1.67 1.77 3iv7B1 ARG 199 HD2 -0.02 -0.04 -0.01 -0.04 3.22 3.10 3iv7B1 ARG 199 HD3 -0.03 -0.01 0.02 -0.04 3.22 3.16 3iv7B1 ALA 200 H -0.04 0.52 -0.17 -0.55 8.40 8.16 3iv7B1 ALA 200 HA 0.01 -0.01 0.36 -0.75 4.34 3.95 3iv7B1 ALA 200 HB3 0.12 0.03 0.13 -0.04 1.41 1.65 3iv7B1 LEU 201 H -0.08 0.70 0.00 -0.55 8.37 8.45 3iv7B1 LEU 201 HA -0.10 -0.05 0.51 -0.75 4.35 3.95 3iv7B1 LEU 201 HB2 -0.10 0.13 0.13 -0.04 1.64 1.75 3iv7B1 LEU 201 HB3 -0.09 -0.04 -0.03 -0.04 1.64 1.44 3iv7B1 LEU 201 HG -0.11 -0.06 0.00 -0.04 1.64 1.43 3iv7B1 LEU 201 HD13 -0.10 0.01 -0.24 -0.04 0.93 0.56 3iv7B1 LEU 201 HD23 -0.23 -0.02 0.08 -0.04 0.89 0.68 3iv7B1 ASN 202 H -0.07 0.68 -0.17 -0.55 8.53 8.42 3iv7B1 ASN 202 HA 0.06 -0.03 0.40 -0.75 4.76 4.44 3iv7B1 ASN 202 HB2 -0.03 0.02 0.09 -0.04 2.88 2.92 3iv7B1 ASN 202 HB3 -0.01 0.17 0.12 -0.04 2.79 3.03 3iv7B1 ASN 202 HD21 0.15 -0.03 0.01 -0.04 7.03 7.13 3iv7B1 ASN 202 HD22 0.08 0.09 -0.02 -0.04 7.74 7.85 3iv7B1 GLN 203 H -0.02 0.42 -0.20 -0.55 8.47 8.13 3iv7B1 GLN 203 HA 0.01 0.06 0.55 -0.75 4.36 4.22 3iv7B1 GLN 203 HB2 -0.01 0.07 0.16 -0.04 2.15 2.33 3iv7B1 GLN 203 HB3 -0.01 -0.12 -0.02 -0.04 2.02 1.83 3iv7B1 GLN 203 HG2 -0.01 0.27 0.11 -0.04 2.40 2.73 3iv7B1 GLN 203 HG3 -0.01 -0.09 0.01 -0.04 2.39 2.26 3iv7B1 GLN 203 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.88 3iv7B1 GLN 203 HE22 0.00 0.10 -0.00 -0.04 7.69 7.75 3iv7B1 GLY 204 H -0.02 0.57 -0.09 -0.55 8.43 8.34 3iv7B1 GLY 204 HA2 -0.01 -0.10 0.45 -0.51 4.01 3.84 3iv7B1 GLY 204 HA3 -0.03 0.02 0.34 -0.51 4.01 3.83 3iv7B1 LEU 205 H -0.04 0.68 -0.03 -0.55 8.37 8.43 3iv7B1 LEU 205 HA -0.03 -0.03 0.30 -0.75 4.35 3.83 3iv7B1 LEU 205 HB2 -0.01 0.15 0.08 -0.04 1.64 1.82 3iv7B1 LEU 205 HB3 -0.01 -0.03 -0.01 -0.04 1.64 1.55 3iv7B1 LEU 205 HG -0.11 0.07 0.11 -0.04 1.64 1.67 3iv7B1 LEU 205 HD13 -0.05 -0.02 -0.10 -0.04 0.93 0.73 3iv7B1 LEU 205 HD23 -0.13 -0.03 -0.01 -0.04 0.89 0.67 3iv7B1 PRO 206 HA 0.01 0.11 0.43 -0.51 4.44 4.49 3iv7B1 PRO 206 HB2 0.01 0.02 0.00 -0.04 2.28 2.27 3iv7B1 PRO 206 HB3 0.01 0.01 0.06 -0.04 2.02 2.06 3iv7B1 PRO 206 HG2 0.02 0.14 0.09 -0.04 2.03 2.23 3iv7B1 PRO 206 HG3 0.02 -0.00 0.03 -0.04 2.03 2.04 3iv7B1 PRO 206 HD2 0.00 0.19 -0.38 -0.04 3.68 3.46 3iv7B1 PRO 206 HD3 0.01 0.07 0.05 -0.04 3.65 3.73 3iv7B1 LYS 207 H 0.01 0.34 -0.36 -0.55 8.42 7.85 3iv7B1 LYS 207 HA 0.01 0.00 0.35 -0.75 4.32 3.93 3iv7B1 LYS 207 HB2 0.01 0.19 0.21 -0.04 1.87 2.24 3iv7B1 LYS 207 HB3 0.01 -0.19 0.08 -0.04 1.79 1.65 3iv7B1 LYS 207 HG2 0.01 -0.07 0.03 -0.04 1.46 1.38 3iv7B1 LYS 207 HG3 0.01 0.15 0.07 -0.04 1.46 1.65 3iv7B1 LYS 207 HD2 0.00 0.07 -0.06 -0.04 1.69 1.66 3iv7B1 LYS 207 HD3 0.00 -0.21 -0.06 -0.04 1.68 1.37 3iv7B1 LYS 207 HE2 -0.00 -0.08 -0.02 -0.04 2.99 2.85 3iv7B1 LYS 207 HE3 0.00 0.16 0.02 -0.04 2.99 3.13 3iv7B1 ILE 208 H 0.01 0.48 -0.20 -0.55 8.25 8.00 3iv7B1 ILE 208 HA 0.03 0.06 0.14 -0.75 4.18 3.66 3iv7B1 ILE 208 HB 0.03 0.15 0.08 -0.04 1.89 2.11 3iv7B1 ILE 208 HG12 0.06 -0.07 -0.18 -0.04 1.49 1.26 3iv7B1 ILE 208 HG13 0.02 0.19 -0.16 -0.04 1.21 1.22 3iv7B1 ILE 208 HG23 0.06 -0.00 -0.13 -0.04 0.93 0.82 3iv7B1 ILE 208 HD13 0.05 -0.02 -0.13 -0.04 0.88 0.75 3iv7B1 VAL 209 H 0.02 0.51 -0.14 -0.55 8.24 8.07 3iv7B1 VAL 209 HA 0.03 -0.03 0.34 -0.75 4.13 3.71 3iv7B1 VAL 209 HB 0.02 0.12 0.16 -0.04 2.12 2.38 3iv7B1 VAL 209 HG13 0.02 -0.01 -0.07 -0.04 0.97 0.87 3iv7B1 VAL 209 HG23 0.02 0.03 0.05 -0.04 0.95 1.01 3iv7B1 ALA 210 H 0.02 0.43 -0.25 -0.55 8.40 8.06 3iv7B1 ALA 210 HA 0.02 0.01 0.50 -0.75 4.34 4.12 3iv7B1 ALA 210 HB3 0.02 -0.02 0.09 -0.04 1.41 1.45 3iv7B1 ASN 211 H 0.03 0.60 -0.20 -0.55 8.53 8.41 3iv7B1 ASN 211 HA 0.06 0.12 0.67 -0.75 4.76 4.85 3iv7B1 ASN 211 HB2 0.03 0.08 -0.12 -0.04 2.88 2.84 3iv7B1 ASN 211 HB3 0.03 -0.02 0.11 -0.04 2.79 2.86 3iv7B1 ASN 211 HD21 0.04 0.00 -0.16 -0.04 7.03 6.87 3iv7B1 ASN 211 HD22 0.03 -0.00 -0.03 -0.04 7.74 7.69 3iv7B1 PRO 212 HA -0.01 0.09 0.41 -0.51 4.44 4.42 3iv7B1 PRO 212 HB2 -0.11 -0.04 -0.07 -0.04 2.28 2.02 3iv7B1 PRO 212 HB3 -0.06 0.08 0.05 -0.04 2.02 2.05 3iv7B1 PRO 212 HG2 0.05 -0.05 0.05 -0.04 2.03 2.04 3iv7B1 PRO 212 HG3 0.02 0.11 0.07 -0.04 2.03 2.19 3iv7B1 PRO 212 HD2 0.09 -0.01 0.13 -0.04 3.68 3.86 3iv7B1 PRO 212 HD3 0.04 0.32 -0.11 -0.04 3.65 3.86 3iv7B1 HIS 213 H 0.16 0.07 -0.47 -0.55 8.41 7.63 3iv7B1 HIS 213 HA 0.06 0.27 0.78 -0.75 4.63 4.99 3iv7B1 HIS 213 HB2 0.03 -0.02 0.02 -0.04 3.26 3.25 3iv7B1 HIS 213 HB3 0.04 -0.06 0.15 -0.04 3.20 3.29 3iv7B1 HIS 213 HD2 0.07 -0.03 0.00 -0.04 6.97 6.97 3iv7B1 HIS 213 HE1 0.03 -0.01 -0.06 -0.04 7.75 7.67 3iv7B1 SER 214 H 0.05 0.65 -0.23 -0.55 8.46 8.39 3iv7B1 SER 214 HA 0.02 -0.00 0.46 -0.75 4.49 4.21 3iv7B1 SER 214 HB2 0.03 0.17 0.12 -0.04 3.95 4.23 3iv7B1 SER 214 HB3 0.03 0.09 0.06 -0.04 3.93 4.07 3iv7B1 ILE 215 H -0.06 0.20 0.23 -0.55 8.25 8.07 3iv7B1 ILE 215 HA -0.05 0.10 0.39 -0.75 4.18 3.86 3iv7B1 ILE 215 HB -0.15 -0.03 0.18 -0.04 1.89 1.85 3iv7B1 ILE 215 HG12 -1.10 -0.05 0.03 -0.04 1.49 0.33 3iv7B1 ILE 215 HG13 -0.28 0.17 0.10 -0.04 1.21 1.16 3iv7B1 ILE 215 HG23 -0.15 -0.01 -0.08 -0.04 0.93 0.65 3iv7B1 ILE 215 HD13 -0.40 0.01 0.05 -0.04 0.88 0.49 3iv7B1 GLU 216 H -0.03 0.12 0.00 -0.55 8.60 8.15 3iv7B1 GLU 216 HA 0.01 0.08 0.36 -0.75 4.29 3.98 3iv7B1 GLU 216 HB2 -0.01 0.02 0.11 -0.04 2.09 2.16 3iv7B1 GLU 216 HB3 -0.00 -0.02 0.08 -0.04 1.99 2.00 3iv7B1 GLU 216 HG2 -0.00 0.04 -0.27 -0.04 2.34 2.07 3iv7B1 GLU 216 HG3 -0.01 0.00 0.01 -0.04 2.34 2.29 3iv7B1 GLY 217 H 0.01 0.05 -0.29 -0.55 8.43 7.66 3iv7B1 GLY 217 HA2 0.01 0.08 0.45 -0.51 4.01 4.03 3iv7B1 GLY 217 HA3 0.02 0.12 0.24 -0.51 4.01 3.87 3iv7B1 ARG 218 H 0.05 0.65 -0.15 -0.55 8.46 8.45 3iv7B1 ARG 218 HA 0.11 0.07 0.50 -0.75 4.34 4.27 3iv7B1 ARG 218 HB2 0.10 0.04 0.06 -0.04 1.90 2.06 3iv7B1 ARG 218 HB3 0.14 -0.09 0.02 -0.04 1.80 1.82 3iv7B1 ARG 218 HG2 0.06 -0.02 -0.04 -0.04 1.67 1.63 3iv7B1 ARG 218 HG3 0.06 0.04 -0.08 -0.04 1.67 1.66 3iv7B1 ARG 218 HD2 0.15 -0.10 0.06 -0.04 3.22 3.29 3iv7B1 ARG 218 HD3 0.15 -0.10 -0.01 -0.04 3.22 3.21 3iv7B1 ASP 219 H 0.10 0.61 -0.23 -0.55 8.40 8.33 3iv7B1 ASP 219 HA 0.32 -0.05 0.50 -0.75 4.63 4.64 3iv7B1 ASP 219 HB2 0.12 0.17 0.16 -0.04 2.71 3.12 3iv7B1 ASP 219 HB3 0.26 -0.02 -0.05 -0.04 2.70 2.85 3iv7B1 GLU 220 H 0.06 0.55 -0.07 -0.55 8.60 8.60 3iv7B1 GLU 220 HA 0.05 -0.01 0.42 -0.75 4.29 4.00 3iv7B1 GLU 220 HB2 0.01 0.06 0.20 -0.04 2.09 2.32 3iv7B1 GLU 220 HB3 0.01 0.16 0.10 -0.04 1.99 2.22 3iv7B1 GLU 220 HG2 -0.04 -0.05 0.05 -0.04 2.34 2.26 3iv7B1 GLU 220 HG3 -0.01 0.10 0.10 -0.04 2.34 2.49 3iv7B1 ALA 221 H 0.00 0.50 -0.25 -0.55 8.40 8.10 3iv7B1 ALA 221 HA -0.18 0.03 0.32 -0.75 4.34 3.76 3iv7B1 ALA 221 HB3 -0.43 0.02 0.04 -0.04 1.41 1.00 3iv7B1 LEU 222 H 0.13 0.46 -0.29 -0.55 8.37 8.12 3iv7B1 LEU 222 HA 0.21 0.01 0.26 -0.75 4.35 4.08 3iv7B1 LEU 222 HB2 0.23 0.19 0.09 -0.04 1.64 2.10 3iv7B1 LEU 222 HB3 0.18 0.01 0.08 -0.04 1.64 1.87 3iv7B1 LEU 222 HG -0.32 -0.03 -0.13 -0.04 1.64 1.12 3iv7B1 LEU 222 HD13 0.25 0.00 -0.13 -0.04 0.93 1.02 3iv7B1 LEU 222 HD23 0.02 -0.02 -0.24 -0.04 0.89 0.62 3iv7B1 TYR 223 H 0.29 0.69 -0.07 -0.55 8.29 8.64 3iv7B1 TYR 223 HA -0.06 0.00 0.46 -0.75 4.56 4.22 3iv7B1 TYR 223 HB2 -0.41 -0.03 0.07 -0.04 3.06 2.66 3iv7B1 TYR 223 HB3 -0.09 0.13 0.15 -0.04 2.98 3.12 3iv7B1 TYR 223 HD2 -0.19 0.03 -0.05 -0.04 7.15 6.90 3iv7B1 TYR 223 HE2 -0.08 0.02 -0.06 -0.04 6.85 6.70 3iv7B1 GLY 224 H 0.07 0.71 -0.20 -0.55 8.43 8.46 3iv7B1 GLY 224 HA2 -0.20 -0.03 0.43 -0.51 4.01 3.70 3iv7B1 GLY 224 HA3 -0.08 0.10 0.31 -0.51 4.01 3.84 3iv7B1 ALA 225 H -0.05 0.62 -0.20 -0.55 8.40 8.23 3iv7B1 ALA 225 HA 0.02 -0.00 0.41 -0.75 4.34 4.01 3iv7B1 ALA 225 HB3 0.14 0.03 0.12 -0.04 1.41 1.66 3iv7B1 TYR 226 H 0.01 0.46 -0.33 -0.55 8.29 7.88 3iv7B1 TYR 226 HA 0.10 -0.02 0.36 -0.75 4.56 4.24 3iv7B1 TYR 226 HB2 -0.15 0.00 0.09 -0.04 3.06 2.96 3iv7B1 TYR 226 HB3 -0.19 0.17 0.18 -0.04 2.98 3.10 3iv7B1 TYR 226 HD2 0.12 -0.03 -0.07 -0.04 7.15 7.13 3iv7B1 TYR 226 HE2 0.07 0.04 -0.11 -0.04 6.85 6.81 3iv7B1 LEU 227 H -0.22 0.51 -0.02 -0.55 8.37 8.09 3iv7B1 LEU 227 HA -0.37 0.01 0.41 -0.75 4.35 3.65 3iv7B1 LEU 227 HB2 -0.31 0.07 0.11 -0.04 1.64 1.46 3iv7B1 LEU 227 HB3 -0.21 0.08 0.04 -0.04 1.64 1.50 3iv7B1 LEU 227 HG -0.57 0.10 0.03 -0.04 1.64 1.16 3iv7B1 LEU 227 HD13 -0.30 -0.01 -0.07 -0.04 0.93 0.52 3iv7B1 LEU 227 HD23 -0.17 -0.02 -0.03 -0.04 0.89 0.63 3iv7B1 ALA 228 H -0.11 0.60 -0.20 -0.55 8.40 8.15 3iv7B1 ALA 228 HA -0.05 -0.02 0.39 -0.75 4.34 3.90 3iv7B1 ALA 228 HB3 0.01 0.06 0.08 -0.04 1.41 1.51 3iv7B1 ALA 229 H -0.02 0.55 -0.21 -0.55 8.40 8.17 3iv7B1 ALA 229 HA -0.06 -0.02 0.41 -0.75 4.34 3.92 3iv7B1 ALA 229 HB3 0.04 0.03 0.11 -0.04 1.41 1.54 3iv7B1 VAL 230 H -0.26 0.54 -0.07 -0.55 8.24 7.91 3iv7B1 VAL 230 HA -0.13 0.17 0.46 -0.75 4.13 3.87 3iv7B1 VAL 230 HB -0.32 0.01 0.12 -0.04 2.12 1.89 3iv7B1 VAL 230 HG13 -0.10 -0.02 -0.08 -0.04 0.97 0.73 3iv7B1 VAL 230 HG23 -0.73 0.07 0.01 -0.04 0.95 0.25 3iv7B1 SER 231 H -0.10 0.56 -0.29 -0.55 8.46 8.08 3iv7B1 SER 231 HA -0.04 -0.06 0.45 -0.75 4.49 4.09 3iv7B1 SER 231 HB2 -0.08 -0.05 0.00 -0.04 3.95 3.78 3iv7B1 SER 231 HB3 -0.04 0.18 0.12 -0.04 3.93 4.15 3iv7B1 PHE 232 H 0.09 0.53 -0.16 -0.55 8.34 8.24 3iv7B1 PHE 232 HA -0.13 0.02 0.40 -0.75 4.62 4.16 3iv7B1 PHE 232 HB2 -0.11 0.06 0.11 -0.04 3.15 3.16 3iv7B1 PHE 232 HB3 -0.26 0.12 0.17 -0.04 3.06 3.06 3iv7B1 PHE 232 HD2 -0.34 0.08 -0.08 -0.04 7.28 6.90 3iv7B1 PHE 232 HE2 -0.60 -0.08 -0.13 -0.04 7.38 6.53 3iv7B1 PHE 232 HZ -0.16 -0.04 -0.11 -0.04 7.32 6.98 3iv7B1 ALA 233 H -0.06 0.61 -0.21 -0.55 8.40 8.19 3iv7B1 ALA 233 HA -0.37 -0.06 0.38 -0.75 4.34 3.53 3iv7B1 ALA 233 HB3 -0.10 0.01 0.12 -0.04 1.41 1.40 3iv7B1 SER 234 H -0.12 0.30 -0.39 -0.55 8.46 7.70 3iv7B1 SER 234 HA -0.17 0.10 0.75 -0.75 4.49 4.41 3iv7B1 SER 234 HB2 -0.15 0.04 0.14 -0.04 3.95 3.94 3iv7B1 SER 234 HB3 -0.02 0.08 0.24 -0.04 3.93 4.19 3iv7B1 ALA 235 H -0.10 0.67 0.15 -0.55 8.40 8.57 3iv7B1 ALA 235 HA -0.05 0.13 0.04 -0.75 4.34 3.71 3iv7B1 ALA 235 HB3 -0.04 -0.04 0.07 -0.04 1.41 1.35 3iv7B1 GLY 236 H -0.31 0.50 -0.27 -0.55 8.43 7.80 3iv7B1 GLY 236 HA2 -0.39 0.03 0.27 -0.51 4.01 3.41 3iv7B1 GLY 236 HA3 -0.16 0.08 0.47 -0.51 4.01 3.89 3iv7B1 SER 237 H -0.18 0.13 0.11 -0.55 8.46 7.97 3iv7B1 SER 237 HA 0.08 -0.00 0.45 -0.75 4.49 4.27 3iv7B1 SER 237 HB2 0.00 0.05 0.11 -0.04 3.95 4.06 3iv7B1 SER 237 HB3 0.18 -0.03 -0.10 -0.04 3.93 3.93 3iv7B1 GLY 238 H 0.34 0.02 0.12 -0.55 8.43 8.36 3iv7B1 GLY 238 HA2 0.21 0.30 0.71 -0.51 4.01 4.72 3iv7B1 GLY 238 HA3 0.37 0.09 0.30 -0.51 4.01 4.26 3iv7B1 LEU 239 H 0.32 0.28 0.14 -0.55 8.37 8.56 3iv7B1 LEU 239 HA 0.11 0.11 0.30 -0.75 4.35 4.13 3iv7B1 LEU 239 HB2 0.10 0.13 0.13 -0.04 1.64 1.96 3iv7B1 LEU 239 HB3 0.20 -0.04 0.11 -0.04 1.64 1.86 3iv7B1 LEU 239 HG -0.00 -0.06 -0.29 -0.04 1.64 1.25 3iv7B1 LEU 239 HD13 -0.05 0.00 -0.01 -0.04 0.93 0.83 3iv7B1 LEU 239 HD23 -0.12 0.03 -0.04 -0.04 0.89 0.71 3iv7B1 HIS 240 H 0.43 0.13 -0.15 -0.55 8.41 8.28 3iv7B1 HIS 240 HA 0.02 0.06 0.40 -0.75 4.63 4.36 3iv7B1 HIS 240 HB2 0.16 0.03 0.03 -0.04 3.26 3.44 3iv7B1 HIS 240 HB3 0.13 -0.02 0.02 -0.04 3.20 3.28 3iv7B1 HIS 240 HD2 -0.83 0.01 -0.31 -0.04 6.97 5.80 3iv7B1 HIS 240 HE1 -0.11 0.23 0.07 -0.04 7.75 7.90 3iv7B1 HIS 241 H 0.47 0.12 -0.25 -0.55 8.41 8.20 3iv7B1 HIS 241 HA 0.04 0.01 0.30 -0.75 4.63 4.23 3iv7B1 HIS 241 HB2 0.27 0.07 0.04 -0.04 3.26 3.61 3iv7B1 HIS 241 HB3 0.29 0.03 -0.01 -0.04 3.20 3.46 3iv7B1 HIS 241 HD2 0.26 -0.00 -0.08 -0.04 6.97 7.11 3iv7B1 HIS 241 HE1 0.09 0.18 -0.07 -0.04 7.75 7.91 3iv7B1 LYS 242 H 0.16 0.51 -0.31 -0.55 8.42 8.23 3iv7B1 LYS 242 HA 0.08 0.03 0.27 -0.75 4.32 3.95 3iv7B1 LYS 242 HB2 0.05 0.04 -0.01 -0.04 1.87 1.91 3iv7B1 LYS 242 HB3 0.03 -0.02 -0.11 -0.04 1.79 1.65 3iv7B1 LYS 242 HG2 0.11 0.18 -0.28 -0.04 1.46 1.43 3iv7B1 LYS 242 HG3 0.05 0.14 -0.37 -0.04 1.46 1.23 3iv7B1 LYS 242 HD2 -0.03 -0.05 -0.08 -0.04 1.69 1.49 3iv7B1 LYS 242 HD3 0.05 -0.16 -0.22 -0.04 1.68 1.31 3iv7B1 LYS 242 HE2 0.04 0.14 -0.08 -0.04 2.99 3.04 3iv7B1 LYS 242 HE3 -0.00 0.32 0.00 -0.04 2.99 3.27 3iv7B1 ILE 243 H -0.04 0.61 -0.10 -0.55 8.25 8.17 3iv7B1 ILE 243 HA -0.07 0.01 0.39 -0.75 4.18 3.76 3iv7B1 ILE 243 HB -0.22 0.14 0.15 -0.04 1.89 1.92 3iv7B1 ILE 243 HG12 -0.11 -0.06 -0.02 -0.04 1.49 1.26 3iv7B1 ILE 243 HG13 -0.07 0.14 0.03 -0.04 1.21 1.27 3iv7B1 ILE 243 HG23 -0.21 -0.03 -0.19 -0.04 0.93 0.46 3iv7B1 ILE 243 HD13 -0.12 -0.03 -0.09 -0.04 0.88 0.59 3iv7B1 CYS 244 H -0.30 0.58 -0.16 -0.55 8.50 8.07 3iv7B1 CYS 244 HA -0.29 -0.02 0.33 -0.75 4.58 3.85 3iv7B1 CYS 244 HB2 -0.55 0.11 0.04 -0.04 2.97 2.52 3iv7B1 CYS 244 HB3 -0.64 -0.05 -0.09 -0.04 2.97 2.15 3iv7B1 HIS 245 H 0.08 0.71 -0.16 -0.55 8.41 8.50 3iv7B1 HIS 245 HA 0.07 -0.01 0.42 -0.75 4.63 4.34 3iv7B1 HIS 245 HB2 0.09 0.07 0.06 -0.04 3.26 3.43 3iv7B1 HIS 245 HB3 0.03 0.17 0.11 -0.04 3.20 3.47 3iv7B1 HIS 245 HD2 0.08 -0.02 -0.06 -0.04 6.97 6.93 3iv7B1 HIS 245 HE1 0.01 0.02 -0.06 -0.04 7.75 7.67 3iv7B1 THR 246 H 0.08 0.50 -0.28 -0.55 8.28 8.03 3iv7B1 THR 246 HA 0.07 0.04 0.42 -0.75 4.39 4.17 3iv7B1 THR 246 HB 0.03 0.15 0.16 -0.04 4.32 4.63 3iv7B1 THR 246 HG23 0.19 0.01 -0.05 -0.04 1.22 1.32 3iv7B1 LEU 247 H -0.06 0.58 -0.03 -0.55 8.37 8.31 3iv7B1 LEU 247 HA 0.07 -0.02 0.34 -0.75 4.35 3.99 3iv7B1 LEU 247 HB2 -0.20 0.07 0.08 -0.04 1.64 1.55 3iv7B1 LEU 247 HB3 -0.24 -0.04 -0.06 -0.04 1.64 1.26 3iv7B1 LEU 247 HG -0.29 0.14 0.02 -0.04 1.64 1.46 3iv7B1 LEU 247 HD13 -0.40 -0.02 -0.13 -0.04 0.93 0.34 3iv7B1 LEU 247 HD23 -1.04 -0.02 -0.05 -0.04 0.89 -0.26 3iv7B1 GLY 248 H -0.04 0.67 -0.24 -0.55 8.43 8.27 3iv7B1 GLY 248 HA2 0.04 0.07 0.53 -0.51 4.01 4.14 3iv7B1 GLY 248 HA3 0.03 0.05 0.24 -0.51 4.01 3.82 3iv7B1 GLY 249 H -0.11 0.54 -0.10 -0.55 8.43 8.21 3iv7B1 GLY 249 HA2 -0.16 0.01 0.36 -0.51 4.01 3.72 3iv7B1 GLY 249 HA3 -0.20 0.07 0.35 -0.51 4.01 3.72 3iv7B1 THR 250 H 0.01 0.74 0.10 -0.55 8.28 8.58 3iv7B1 THR 250 HA -0.16 0.15 0.72 -0.75 4.39 4.34 3iv7B1 THR 250 HB 0.02 0.08 0.08 -0.04 4.32 4.47 3iv7B1 THR 250 HG23 -0.71 -0.02 -0.10 -0.04 1.22 0.34 3iv7B1 PHE 251 H 0.19 0.22 -0.11 -0.55 8.34 8.09 3iv7B1 PHE 251 HA 0.06 0.17 0.74 -0.75 4.62 4.83 3iv7B1 PHE 251 HB2 0.04 0.14 0.15 -0.04 3.15 3.43 3iv7B1 PHE 251 HB3 0.18 -0.04 0.11 -0.04 3.06 3.27 3iv7B1 PHE 251 HD2 0.10 0.06 -0.05 -0.04 7.28 7.35 3iv7B1 PHE 251 HE2 0.07 -0.05 -0.06 -0.04 7.38 7.29 3iv7B1 PHE 251 HZ 0.10 -0.12 -0.03 -0.04 7.32 7.23 3iv7B1 ASN 252 H 0.05 0.17 -0.36 -0.55 8.53 7.84 3iv7B1 ASN 252 HA 0.05 0.23 0.36 -0.75 4.76 4.65 3iv7B1 LEU 253 H 0.09 0.30 -0.26 -0.55 8.37 7.96 3iv7B1 LEU 253 HA 0.09 0.19 0.48 -0.75 4.35 4.36 3iv7B1 LEU 253 HB2 -0.03 -0.11 -0.21 -0.04 1.64 1.25 3iv7B1 LEU 253 HB3 0.01 -0.01 -0.02 -0.04 1.64 1.58 3iv7B1 LEU 253 HG 0.10 0.07 -0.09 -0.04 1.64 1.68 3iv7B1 LEU 253 HD13 -0.28 -0.05 -0.06 -0.04 0.93 0.50 3iv7B1 LEU 253 HD23 0.21 0.01 -0.08 -0.04 0.89 0.98 3iv7B1 PRO 254 HA 0.04 0.04 0.40 -0.51 4.44 4.41 3iv7B1 PRO 254 HB2 -0.16 -0.19 -0.01 -0.04 2.28 1.88 3iv7B1 PRO 254 HB3 -0.02 0.06 0.11 -0.04 2.02 2.13 3iv7B1 PRO 254 HG2 -0.38 -0.03 0.10 -0.04 2.03 1.67 3iv7B1 PRO 254 HG3 0.02 0.10 0.12 -0.04 2.03 2.23 3iv7B1 PRO 254 HD2 0.08 0.14 0.27 -0.04 3.68 4.13 3iv7B1 PRO 254 HD3 0.08 0.25 0.22 -0.04 3.65 4.16 3iv7B1 HIS 255 H 0.14 0.15 0.16 -0.55 8.41 8.31 3iv7B1 HIS 255 HA 0.07 0.16 0.23 -0.75 4.63 4.33 3iv7B1 HIS 255 HB2 0.06 0.11 0.12 -0.04 3.26 3.52 3iv7B1 HIS 255 HB3 0.02 -0.14 0.17 -0.04 3.20 3.20 3iv7B1 HIS 255 HD2 -0.04 -0.09 -0.12 -0.04 6.97 6.68 3iv7B1 HIS 255 HE1 0.20 0.07 -0.09 -0.04 7.75 7.88 3iv7B1 ALA 256 H 0.11 0.11 -0.02 -0.55 8.40 8.05 3iv7B1 ALA 256 HA -0.06 0.09 0.28 -0.75 4.34 3.89 3iv7B1 ALA 256 HB3 0.03 0.00 -0.13 -0.04 1.41 1.27 3iv7B1 GLN 257 H -0.14 0.11 -0.27 -0.55 8.47 7.62 3iv7B1 GLN 257 HA -0.11 0.09 0.31 -0.75 4.36 3.90 3iv7B1 GLN 257 HB2 -0.67 0.05 -0.01 -0.04 2.15 1.49 3iv7B1 GLN 257 HB3 -0.95 0.05 -0.03 -0.04 2.02 1.04 3iv7B1 GLN 257 HG2 -0.23 0.07 0.01 -0.04 2.40 2.21 3iv7B1 GLN 257 HG3 -0.08 0.05 0.02 -0.04 2.39 2.35 3iv7B1 GLN 257 HE21 -0.01 -0.03 -0.04 -0.04 6.97 6.85 3iv7B1 GLN 257 HE22 0.01 0.10 -0.01 -0.04 7.69 7.75 3iv7B1 THR 258 H -0.17 0.37 -0.44 -0.55 8.28 7.49 3iv7B1 THR 258 HA -0.13 0.04 0.39 -0.75 4.39 3.94 3iv7B1 THR 258 HB -0.17 0.14 0.01 -0.04 4.32 4.26 3iv7B1 THR 258 HG23 -0.25 -0.03 -0.20 -0.04 1.22 0.70 3iv7B1 HIS 259 H -0.03 0.50 -0.03 -0.55 8.41 8.30 3iv7B1 HIS 259 HA -0.02 -0.01 0.42 -0.75 4.63 4.26 3iv7B1 HIS 259 HB2 -0.19 0.08 0.16 -0.04 3.26 3.27 3iv7B1 HIS 259 HB3 -0.09 0.01 -0.04 -0.04 3.20 3.05 3iv7B1 HIS 259 HD2 -0.80 0.19 -0.04 -0.04 6.97 6.27 3iv7B1 HIS 259 HE1 -0.06 -0.01 -0.10 -0.04 7.75 7.54 3iv7B1 ALA 260 H 0.02 0.60 -0.18 -0.55 8.40 8.30 3iv7B1 ALA 260 HA 0.03 -0.03 0.16 -0.75 4.34 3.75 3iv7B1 ALA 260 HB3 0.02 0.04 0.09 -0.04 1.41 1.52 3iv7B1 THR 261 H 0.03 0.32 -0.45 -0.55 8.28 7.63 3iv7B1 THR 261 HA 0.13 0.20 0.25 -0.75 4.39 4.21 3iv7B1 THR 261 HB 0.06 -0.02 -0.00 -0.04 4.32 4.31 3iv7B1 THR 261 HG23 0.13 -0.05 -0.38 -0.04 1.22 0.88 3iv7B1 VAL 262 H 0.04 0.65 -0.06 -0.55 8.24 8.32 3iv7B1 VAL 262 HA 0.14 -0.01 0.39 -0.75 4.13 3.90 3iv7B1 VAL 262 HB -0.14 0.09 0.08 -0.04 2.12 2.11 3iv7B1 VAL 262 HG13 -0.08 -0.04 -0.09 -0.04 0.97 0.71 3iv7B1 VAL 262 HG23 -0.18 0.01 -0.05 -0.04 0.95 0.68 3iv7B1 LEU 263 H 0.19 0.58 -0.30 -0.55 8.37 8.30 3iv7B1 LEU 263 HA 0.10 -0.12 0.18 -0.75 4.35 3.75 3iv7B1 LEU 263 HB2 -0.10 0.09 0.02 -0.04 1.64 1.60 3iv7B1 LEU 263 HB3 0.01 0.22 0.04 -0.04 1.64 1.86 3iv7B1 LEU 263 HG -0.01 -0.05 -0.33 -0.04 1.64 1.21 3iv7B1 LEU 263 HD13 -0.21 -0.05 -0.04 -0.04 0.93 0.59 3iv7B1 LEU 263 HD23 -0.06 0.04 -0.16 -0.04 0.89 0.67 3iv7B1 PRO 264 HA -0.04 -0.03 0.36 -0.51 4.44 4.22 3iv7B1 PRO 264 HB2 -0.37 -0.02 -0.03 -0.04 2.28 1.82 3iv7B1 PRO 264 HB3 -0.13 -0.01 0.05 -0.04 2.02 1.89 3iv7B1 PRO 264 HG2 -0.25 0.12 0.02 -0.04 2.03 1.88 3iv7B1 PRO 264 HG3 -0.08 0.11 0.04 -0.04 2.03 2.05 3iv7B1 PRO 264 HD2 0.08 0.23 -0.36 -0.04 3.68 3.59 3iv7B1 PRO 264 HD3 -0.00 0.13 0.06 -0.04 3.65 3.80 3iv7B1 TYR 265 H 0.07 0.44 -0.31 -0.55 8.29 7.95 3iv7B1 TYR 265 HA 0.05 0.03 0.49 -0.75 4.56 4.37 3iv7B1 TYR 265 HB2 0.01 0.14 0.14 -0.04 3.06 3.31 3iv7B1 TYR 265 HB3 0.01 -0.05 0.05 -0.04 2.98 2.95 3iv7B1 TYR 265 HD2 0.02 0.08 0.03 -0.04 7.15 7.24 3iv7B1 TYR 265 HE2 0.02 0.10 -0.18 -0.04 6.85 6.75 3iv7B1 VAL 266 H 0.20 0.50 -0.05 -0.55 8.24 8.35 3iv7B1 VAL 266 HA 0.13 0.03 0.33 -0.75 4.13 3.86 3iv7B1 VAL 266 HB 0.29 0.15 0.07 -0.04 2.12 2.58 3iv7B1 VAL 266 HG13 0.35 -0.05 -0.11 -0.04 0.97 1.12 3iv7B1 VAL 266 HG23 0.13 0.02 -0.06 -0.04 0.95 1.00 3iv7B1 LEU 267 H 0.18 0.54 -0.19 -0.55 8.37 8.36 3iv7B1 LEU 267 HA 0.41 0.03 0.33 -0.75 4.35 4.37 3iv7B1 LEU 267 HB2 0.25 0.03 -0.02 -0.04 1.64 1.86 3iv7B1 LEU 267 HB3 0.10 0.12 0.06 -0.04 1.64 1.87 3iv7B1 LEU 267 HG 0.10 -0.05 -0.30 -0.04 1.64 1.35 3iv7B1 LEU 267 HD13 0.32 -0.02 -0.06 -0.04 0.93 1.13 3iv7B1 LEU 267 HD23 0.09 -0.02 -0.24 -0.04 0.89 0.68 3iv7B1 ALA 268 H 0.06 0.54 -0.25 -0.55 8.40 8.21 3iv7B1 ALA 268 HA 0.01 -0.08 0.31 -0.75 4.34 3.83 3iv7B1 ALA 268 HB3 0.02 0.01 -0.04 -0.04 1.41 1.35 3iv7B1 PHE 269 H 0.19 0.57 -0.20 -0.55 8.34 8.34 3iv7B1 PHE 269 HA -0.04 0.22 0.36 -0.75 4.62 4.41 3iv7B1 PHE 269 HB2 0.00 0.01 0.09 -0.04 3.15 3.22 3iv7B1 PHE 269 HB3 -0.07 0.04 0.17 -0.04 3.06 3.16 3iv7B1 PHE 269 HD2 -0.09 0.01 -0.06 -0.04 7.28 7.10 3iv7B1 PHE 269 HE2 -0.06 0.01 -0.09 -0.04 7.38 7.21 3iv7B1 PHE 269 HZ -0.04 -0.01 -0.14 -0.04 7.32 7.09 3iv7B1 ASN 270 H -0.11 0.60 -0.13 -0.55 8.53 8.34 3iv7B1 ASN 270 HA -0.41 0.11 0.52 -0.75 4.76 4.24 3iv7B1 ASN 270 HB2 -1.16 0.13 0.06 -0.04 2.88 1.87 3iv7B1 ASN 270 HB3 -1.33 -0.03 -0.03 -0.04 2.79 1.36 3iv7B1 ASN 270 HD21 -0.39 -0.06 0.02 -0.04 7.03 6.57 3iv7B1 ASN 270 HD22 -1.67 -0.01 -0.01 -0.04 7.74 6.00 3iv7B1 ALA 271 H -0.13 0.50 -0.20 -0.55 8.40 8.03 3iv7B1 ALA 271 HA 0.03 -0.00 0.21 -0.75 4.34 3.82 3iv7B1 ALA 271 HB3 0.03 0.01 0.07 -0.04 1.41 1.49 3iv7B1 GLY 272 H -0.10 0.24 -0.18 -0.55 8.43 7.84 3iv7B1 GLY 272 HA2 -0.04 -0.01 0.29 -0.51 4.01 3.74 3iv7B1 GLY 272 HA3 -0.08 0.05 0.27 -0.51 4.01 3.74 3iv7B1 ASP 273 H -0.15 0.26 -0.40 -0.55 8.40 7.57 3iv7B1 ASP 273 HA -0.06 0.11 0.68 -0.75 4.63 4.60 3iv7B1 ASP 273 HB2 -0.18 -0.02 -0.15 -0.04 2.71 2.32 3iv7B1 ASP 273 HB3 -0.09 0.17 -0.06 -0.04 2.70 2.68 3iv7B1 ALA 274 H -0.04 0.39 -0.25 -0.55 8.40 7.94 3iv7B1 ALA 274 HA 0.06 0.19 0.86 -0.75 4.34 4.70 3iv7B1 ALA 274 HB3 0.19 -0.02 0.07 -0.04 1.41 1.61 3iv7B1 PRO 275 HA 0.05 0.06 0.31 -0.51 4.44 4.36 3iv7B1 PRO 275 HB2 0.02 -0.01 -0.02 -0.04 2.28 2.23 3iv7B1 PRO 275 HB3 0.02 0.08 0.10 -0.04 2.02 2.18 3iv7B1 PRO 275 HG2 0.03 -0.05 0.07 -0.04 2.03 2.03 3iv7B1 PRO 275 HG3 0.01 0.09 0.05 -0.04 2.03 2.14 3iv7B1 PRO 275 HD2 0.03 0.21 -0.04 -0.04 3.68 3.84 3iv7B1 PRO 275 HD3 0.01 0.27 -0.25 -0.04 3.65 3.64 3iv7B1 GLU 276 H 0.06 0.21 -0.15 -0.55 8.60 8.16 3iv7B1 GLU 276 HA 0.03 0.08 0.52 -0.75 4.29 4.17 3iv7B1 GLU 276 HB2 0.05 0.05 0.09 -0.04 2.09 2.23 3iv7B1 GLU 276 HB3 0.02 0.02 0.02 -0.04 1.99 2.01 3iv7B1 GLU 276 HG2 0.02 -0.00 0.01 -0.04 2.34 2.33 3iv7B1 GLU 276 HG3 0.03 -0.00 0.04 -0.04 2.34 2.37 3iv7B1 ALA 277 H 0.11 0.18 -0.11 -0.55 8.40 8.03 3iv7B1 ALA 277 HA 0.04 0.04 0.44 -0.75 4.34 4.10 3iv7B1 ALA 277 HB3 0.21 0.09 0.03 -0.04 1.41 1.70 3iv7B1 GLU 278 H 0.14 0.57 -0.20 -0.55 8.60 8.56 3iv7B1 GLU 278 HA 0.16 -0.05 0.35 -0.75 4.29 4.00 3iv7B1 GLU 278 HB2 0.12 0.21 0.06 -0.04 2.09 2.44 3iv7B1 GLU 278 HB3 0.07 0.15 0.13 -0.04 1.99 2.30 3iv7B1 GLU 278 HG2 0.11 -0.14 0.07 -0.04 2.34 2.33 3iv7B1 GLU 278 HG3 0.06 0.05 -0.03 -0.04 2.34 2.37 3iv7B1 ARG 279 H 0.06 0.54 -0.15 -0.55 8.46 8.35 3iv7B1 ARG 279 HA 0.04 0.01 0.38 -0.75 4.34 4.02 3iv7B1 ARG 279 HB2 0.03 0.10 0.20 -0.04 1.90 2.19 3iv7B1 ARG 279 HB3 0.02 -0.04 0.03 -0.04 1.80 1.77 3iv7B1 ARG 279 HG2 0.03 -0.03 0.06 -0.04 1.67 1.69 3iv7B1 ARG 279 HG3 0.03 0.16 0.11 -0.04 1.67 1.93 3iv7B1 ARG 279 HD2 0.02 -0.02 0.02 -0.04 3.22 3.19 3iv7B1 ARG 279 HD3 0.02 -0.02 0.01 -0.04 3.22 3.19 3iv7B1 ARG 280 H 0.02 0.53 -0.14 -0.55 8.46 8.33 3iv7B1 ARG 280 HA -0.01 0.02 0.41 -0.75 4.34 4.01 3iv7B1 ARG 280 HB2 -0.01 0.03 0.10 -0.04 1.90 1.98 3iv7B1 ARG 280 HB3 -0.02 0.09 0.14 -0.04 1.80 1.97 3iv7B1 ARG 280 HG2 -0.06 -0.04 -0.18 -0.04 1.67 1.36 3iv7B1 ARG 280 HG3 -0.04 -0.03 0.01 -0.04 1.67 1.56 3iv7B1 ARG 280 HD2 -0.07 0.03 -0.03 -0.04 3.22 3.11 3iv7B1 ARG 280 HD3 -0.07 0.06 -0.10 -0.04 3.22 3.07 3iv7B1 ALA 281 H 0.02 0.60 -0.13 -0.55 8.40 8.35 3iv7B1 ALA 281 HA -0.09 0.03 0.44 -0.75 4.34 3.97 3iv7B1 ALA 281 HB3 0.09 0.02 0.07 -0.04 1.41 1.55 3iv7B1 ALA 282 H 0.09 0.56 -0.19 -0.55 8.40 8.32 3iv7B1 ALA 282 HA 0.20 -0.08 0.12 -0.75 4.34 3.83 3iv7B1 ALA 282 HB3 0.06 0.05 -0.12 -0.04 1.41 1.36 3iv7B1 ALA 283 H 0.03 0.62 -0.13 -0.55 8.40 8.38 3iv7B1 ALA 283 HA 0.03 -0.00 0.38 -0.75 4.34 4.00 3iv7B1 ALA 283 HB3 -0.00 0.02 0.08 -0.04 1.41 1.47 3iv7B1 ALA 284 H -0.04 0.43 -0.28 -0.55 8.40 7.97 3iv7B1 ALA 284 HA -0.08 0.01 0.49 -0.75 4.34 4.01 3iv7B1 ALA 284 HB3 -0.22 -0.01 0.12 -0.04 1.41 1.26 3iv7B1 PHE 285 H 0.07 0.47 -0.15 -0.55 8.34 8.18 3iv7B1 PHE 285 HA -0.02 0.11 0.60 -0.75 4.62 4.56 3iv7B1 PHE 285 HB2 -0.01 0.04 0.15 -0.04 3.15 3.29 3iv7B1 PHE 285 HB3 -0.01 -0.07 0.03 -0.04 3.06 2.97 3iv7B1 PHE 285 HD2 -0.02 0.04 -0.09 -0.04 7.28 7.17 3iv7B1 PHE 285 HE2 -0.03 -0.03 -0.09 -0.04 7.38 7.19 3iv7B1 PHE 285 HZ -0.04 -0.03 -0.08 -0.04 7.32 7.13 3iv7B1 GLY 286 H 0.09 0.34 -0.25 -0.55 8.43 8.06 3iv7B1 GLY 286 HA2 0.04 0.02 0.28 -0.51 4.01 3.84 3iv7B1 GLY 286 HA3 0.05 0.07 0.62 -0.51 4.01 4.24 3iv7B1 THR 287 H 0.10 0.44 0.03 -0.55 8.28 8.31 3iv7B1 THR 287 HA 0.02 0.18 0.78 -0.75 4.39 4.62 3iv7B1 THR 287 HB -0.00 -0.22 0.07 -0.04 4.32 4.12 3iv7B1 THR 287 HG23 -0.00 0.04 -0.25 -0.04 1.22 0.97 3iv7B1 ASP 288 H 0.01 0.12 0.10 -0.55 8.40 8.08 3iv7B1 ASP 288 HA 0.02 0.14 0.40 -0.75 4.63 4.44 3iv7B1 ASP 288 HB2 0.00 -0.05 0.09 -0.04 2.71 2.72 3iv7B1 ASP 288 HB3 0.01 0.01 0.00 -0.04 2.70 2.68 3iv7B1 THR 289 H 0.00 0.07 -0.09 -0.55 8.28 7.72 3iv7B1 THR 289 HA 0.03 0.32 0.83 -0.75 4.39 4.82 3iv7B1 THR 289 HB 0.01 -0.03 0.09 -0.04 4.32 4.35 3iv7B1 THR 289 HG23 0.00 0.04 -0.16 -0.04 1.22 1.06 3iv7B1 ALA 290 H 0.06 0.23 0.11 -0.55 8.40 8.24 3iv7B1 ALA 290 HA 0.16 0.18 0.34 -0.75 4.34 4.26 3iv7B1 ALA 290 HB3 0.16 0.07 0.05 -0.04 1.41 1.65 3iv7B1 LEU 291 H -0.00 0.10 -0.07 -0.55 8.37 7.85 3iv7B1 LEU 291 HA -0.08 0.13 0.35 -0.75 4.35 3.99 3iv7B1 LEU 291 HB2 -0.01 0.05 0.01 -0.04 1.64 1.65 3iv7B1 LEU 291 HB3 -0.04 -0.03 0.02 -0.04 1.64 1.56 3iv7B1 LEU 291 HG -0.07 -0.00 -0.13 -0.04 1.64 1.39 3iv7B1 LEU 291 HD13 -0.08 0.01 -0.00 -0.04 0.93 0.81 3iv7B1 LEU 291 HD23 -0.04 -0.01 -0.11 -0.04 0.89 0.70 3iv7B1 GLU 292 H -0.07 0.01 -0.36 -0.55 8.60 7.64 3iv7B1 GLU 292 HA -0.09 0.06 0.33 -0.75 4.29 3.83 3iv7B1 GLU 292 HB2 -0.05 -0.03 0.03 -0.04 2.09 2.00 3iv7B1 GLU 292 HB3 -0.06 0.07 0.03 -0.04 1.99 1.99 3iv7B1 GLU 292 HG2 -0.07 0.07 -0.18 -0.04 2.34 2.13 3iv7B1 GLU 292 HG3 -0.05 0.01 -0.01 -0.04 2.34 2.26 3iv7B1 GLY 293 H -0.21 0.33 -0.25 -0.55 8.43 7.75 3iv7B1 GLY 293 HA2 -0.29 0.06 0.32 -0.51 4.01 3.58 3iv7B1 GLY 293 HA3 -0.82 0.09 0.28 -0.51 4.01 3.06 3iv7B1 LEU 294 H -0.71 0.56 -0.14 -0.55 8.37 7.54 3iv7B1 LEU 294 HA -0.47 0.05 0.34 -0.75 4.35 3.52 3iv7B1 LEU 294 HB2 -0.22 0.01 0.06 -0.04 1.64 1.45 3iv7B1 LEU 294 HB3 -0.19 0.02 0.13 -0.04 1.64 1.56 3iv7B1 LEU 294 HG -0.09 0.01 -0.18 -0.04 1.64 1.35 3iv7B1 LEU 294 HD13 0.04 0.00 -0.02 -0.04 0.93 0.92 3iv7B1 LEU 294 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.72 3iv7B1 GLN 295 H -0.20 0.64 -0.05 -0.55 8.47 8.31 3iv7B1 GLN 295 HA -0.09 0.02 0.37 -0.75 4.36 3.91 3iv7B1 GLN 295 HB2 -0.10 0.05 0.14 -0.04 2.15 2.19 3iv7B1 GLN 295 HB3 -0.07 -0.03 0.01 -0.04 2.02 1.88 3iv7B1 GLN 295 HG2 -0.11 0.17 0.08 -0.04 2.40 2.49 3iv7B1 GLN 295 HG3 -0.08 -0.10 -0.03 -0.04 2.39 2.14 3iv7B1 GLN 295 HE21 -0.09 0.08 0.02 -0.04 6.97 6.94 3iv7B1 GLN 295 HE22 -0.07 -0.07 0.01 -0.04 7.69 7.53 3iv7B1 ARG 296 H -0.14 0.59 -0.12 -0.55 8.46 8.24 3iv7B1 ARG 296 HA -0.05 -0.02 0.46 -0.75 4.34 3.97 3iv7B1 ARG 296 HB2 -0.07 -0.04 0.09 -0.04 1.90 1.83 3iv7B1 ARG 296 HB3 -0.10 0.18 0.10 -0.04 1.80 1.95 3iv7B1 ARG 296 HG2 -0.02 0.02 -0.20 -0.04 1.67 1.42 3iv7B1 ARG 296 HG3 -0.03 -0.07 0.03 -0.04 1.67 1.56 3iv7B1 ARG 296 HD2 -0.02 0.08 -0.05 -0.04 3.22 3.19 3iv7B1 ARG 296 HD3 -0.01 -0.02 -0.04 -0.04 3.22 3.12 3iv7B1 LEU 297 H -0.12 0.49 -0.14 -0.55 8.37 8.06 3iv7B1 LEU 297 HA -0.00 0.05 0.50 -0.75 4.35 4.14 3iv7B1 LEU 297 HB2 0.05 0.04 0.12 -0.04 1.64 1.81 3iv7B1 LEU 297 HB3 -0.03 0.10 0.20 -0.04 1.64 1.87 3iv7B1 LEU 297 HG 0.03 -0.03 -0.27 -0.04 1.64 1.33 3iv7B1 LEU 297 HD13 0.04 0.01 0.04 -0.04 0.93 0.97 3iv7B1 LEU 297 HD23 0.15 -0.02 -0.08 -0.04 0.89 0.91 3iv7B1 ARG 298 H -0.05 0.70 -0.04 -0.55 8.46 8.52 3iv7B1 ARG 298 HA -0.00 -0.02 0.27 -0.75 4.34 3.84 3iv7B1 ARG 298 HB2 -0.04 0.07 0.17 -0.04 1.90 2.05 3iv7B1 ARG 298 HB3 -0.01 -0.01 -0.03 -0.04 1.80 1.71 3iv7B1 ARG 298 HG2 -0.01 -0.04 -0.00 -0.04 1.67 1.58 3iv7B1 ARG 298 HG3 -0.04 0.18 0.03 -0.04 1.67 1.80 3iv7B1 ARG 298 HD2 -0.04 -0.06 -0.05 -0.04 3.22 3.03 3iv7B1 ARG 298 HD3 -0.07 -0.09 -0.10 -0.04 3.22 2.93 3iv7B1 LEU 299 H -0.03 0.63 -0.14 -0.55 8.37 8.29 3iv7B1 LEU 299 HA -0.00 -0.00 0.44 -0.75 4.35 4.03 3iv7B1 LEU 299 HB2 -0.02 -0.01 0.12 -0.04 1.64 1.69 3iv7B1 LEU 299 HB3 -0.02 0.09 0.20 -0.04 1.64 1.87 3iv7B1 LEU 299 HG -0.00 -0.03 0.01 -0.04 1.64 1.58 3iv7B1 LEU 299 HD13 -0.01 -0.02 -0.00 -0.04 0.93 0.85 3iv7B1 LEU 299 HD23 -0.01 0.01 -0.16 -0.04 0.89 0.68 3iv7B1 SER 300 H -0.01 0.62 -0.08 -0.55 8.46 8.44 3iv7B1 SER 300 HA 0.00 -0.03 0.32 -0.75 4.49 4.03 3iv7B1 SER 300 HB2 0.01 -0.08 0.13 -0.04 3.95 3.96 3iv7B1 SER 300 HB3 -0.00 -0.03 0.16 -0.04 3.93 4.02 3iv7B1 VAL 301 H 0.01 0.30 -0.68 -0.55 8.24 7.31 3iv7B1 VAL 301 HA 0.02 0.13 0.72 -0.75 4.13 4.24 3iv7B1 VAL 301 HB 0.01 0.21 -0.02 -0.04 2.12 2.28 3iv7B1 VAL 301 HG13 0.02 -0.04 -0.09 -0.04 0.97 0.83 3iv7B1 VAL 301 HG23 0.01 -0.02 -0.25 -0.04 0.95 0.64 3iv7B1 ASN 302 H 0.01 0.41 -0.11 -0.55 8.53 8.29 3iv7B1 ASN 302 HA 0.02 0.01 0.34 -0.75 4.76 4.37 3iv7B1 ASN 302 HB2 0.02 -0.01 -0.06 -0.04 2.88 2.79 3iv7B1 ASN 302 HB3 0.03 0.06 0.15 -0.04 2.79 2.99 3iv7B1 ASN 302 HD21 0.02 -0.07 0.02 -0.04 7.03 6.96 3iv7B1 ASN 302 HD22 0.02 -0.01 0.02 -0.04 7.74 7.74 3iv7B1 ALA 303 H 0.02 0.40 -0.07 -0.55 8.40 8.20 3iv7B1 ALA 303 HA 0.04 0.05 0.21 -0.75 4.34 3.89 3iv7B1 ALA 303 HB3 0.02 -0.02 0.00 -0.04 1.41 1.38 3iv7B1 PRO 304 HA 0.12 0.01 0.50 -0.51 4.44 4.56 3iv7B1 PRO 304 HB2 0.13 0.05 -0.09 -0.04 2.28 2.33 3iv7B1 PRO 304 HB3 0.30 -0.02 0.06 -0.04 2.02 2.32 3iv7B1 PRO 304 HG2 0.04 -0.06 0.08 -0.04 2.03 2.06 3iv7B1 PRO 304 HG3 0.11 0.02 0.09 -0.04 2.03 2.21 3iv7B1 PRO 304 HD2 0.05 0.07 0.12 -0.04 3.68 3.88 3iv7B1 PRO 304 HD3 0.06 0.19 0.13 -0.04 3.65 3.99 3iv7B1 LYS 305 H 0.09 -0.02 0.19 -0.55 8.42 8.13 3iv7B1 LYS 305 HA 0.10 0.25 0.81 -0.75 4.32 4.73 3iv7B1 ARG 306 H 0.06 0.04 0.11 -0.55 8.46 8.12 3iv7B1 ARG 306 HA 0.04 0.33 0.84 -0.75 4.34 4.80 3iv7B1 ARG 306 HB2 -0.06 -0.09 0.02 -0.04 1.90 1.74 3iv7B1 ARG 306 HB3 -0.03 0.00 -0.04 -0.04 1.80 1.69 3iv7B1 ARG 306 HG2 0.01 -0.00 -0.82 -0.04 1.67 0.81 3iv7B1 ARG 306 HG3 0.02 -0.04 -0.59 -0.04 1.67 1.01 3iv7B1 ARG 306 HD2 -0.02 -0.05 -0.07 -0.04 3.22 3.04 3iv7B1 ARG 306 HD3 -0.00 0.16 -0.10 -0.04 3.22 3.24 3iv7B1 LEU 307 H 0.03 0.69 0.30 -0.55 8.37 8.84 3iv7B1 LEU 307 HA 0.26 0.07 0.46 -0.75 4.35 4.39 3iv7B1 LEU 307 HB2 0.09 0.00 -0.01 -0.04 1.64 1.68 3iv7B1 LEU 307 HB3 0.04 -0.07 -0.01 -0.04 1.64 1.56 3iv7B1 LEU 307 HG -0.03 0.16 -0.16 -0.04 1.64 1.57 3iv7B1 LEU 307 HD13 -0.32 -0.01 -0.19 -0.04 0.93 0.37 3iv7B1 LEU 307 HD23 -0.05 0.00 -0.08 -0.04 0.89 0.73 3iv7B1 SER 308 H 0.01 0.55 0.02 -0.55 8.46 8.49 3iv7B1 SER 308 HA 0.03 0.33 0.53 -0.75 4.49 4.62 3iv7B1 SER 308 HB2 -0.03 -0.06 0.09 -0.04 3.95 3.91 3iv7B1 SER 308 HB3 -0.01 -0.01 0.09 -0.04 3.93 3.96 3iv7B1 ASP 309 H -0.22 0.29 -0.53 -0.55 8.40 7.39 3iv7B1 ASP 309 HA -0.20 0.10 0.54 -0.75 4.63 4.32 3iv7B1 ASP 309 HB2 -0.79 0.16 0.08 -0.04 2.71 2.12 3iv7B1 ASP 309 HB3 -0.45 -0.02 0.12 -0.04 2.70 2.31 3iv7B1 TYR 310 H -0.15 0.41 -0.41 -0.55 8.29 7.59 3iv7B1 TYR 310 HA 0.04 0.18 0.82 -0.75 4.56 4.84 3iv7B1 TYR 310 HB2 0.03 0.02 0.12 -0.04 3.06 3.19 3iv7B1 TYR 310 HB3 0.04 -0.03 0.21 -0.04 2.98 3.16 3iv7B1 TYR 310 HD2 0.02 0.02 -0.00 -0.04 7.15 7.14 3iv7B1 TYR 310 HE2 0.02 0.00 -0.09 -0.04 6.85 6.74 3iv7B1 GLY 311 H 0.03 0.31 -0.28 -0.55 8.43 7.94 3iv7B1 GLY 311 HA2 0.05 0.00 0.27 -0.51 4.01 3.82 3iv7B1 GLY 311 HA3 0.10 0.14 0.55 -0.51 4.01 4.30 3iv7B1 PHE 312 H 0.23 0.22 -0.26 -0.55 8.34 7.98 3iv7B1 PHE 312 HA -0.02 0.03 0.40 -0.75 4.62 4.27 3iv7B1 PHE 312 HB2 -0.03 0.06 -0.00 -0.04 3.15 3.13 3iv7B1 PHE 312 HB3 -0.06 -0.07 -0.21 -0.04 3.06 2.69 3iv7B1 PHE 312 HD2 -0.21 0.01 -0.12 -0.04 7.28 6.91 3iv7B1 PHE 312 HE2 -1.06 0.01 -0.12 -0.04 7.38 6.16 3iv7B1 PHE 312 HZ -0.43 -0.03 -0.26 -0.04 7.32 6.56 3iv7B1 GLU 313 H -0.57 0.12 0.20 -0.55 8.60 7.80 3iv7B1 GLU 313 HA -0.19 0.26 0.88 -0.75 4.29 4.48 3iv7B1 GLU 313 HB2 -0.19 -0.08 0.07 -0.04 2.09 1.85 3iv7B1 GLU 313 HB3 -0.14 -0.10 0.13 -0.04 1.99 1.84 3iv7B1 GLU 313 HG2 -0.07 0.06 -0.06 -0.04 2.34 2.23 3iv7B1 GLU 313 HG3 -0.07 0.28 -0.13 -0.04 2.34 2.38 3iv7B1 ALA 314 H -0.17 0.24 0.14 -0.55 8.40 8.07 3iv7B1 ALA 314 HA -0.20 0.11 0.41 -0.75 4.34 3.90 3iv7B1 ALA 314 HB3 -0.09 0.04 0.09 -0.04 1.41 1.40 3iv7B1 SER 315 H -0.15 0.10 -0.22 -0.55 8.46 7.64 3iv7B1 SER 315 HA -0.07 0.09 0.41 -0.75 4.49 4.16 3iv7B1 SER 315 HB2 -0.04 0.05 0.07 -0.04 3.95 3.99 3iv7B1 SER 315 HB3 -0.06 0.01 0.08 -0.04 3.93 3.92 3iv7B1 GLY 316 H -0.39 0.45 -0.47 -0.55 8.43 7.48 3iv7B1 GLY 316 HA2 0.08 0.12 0.64 -0.51 4.01 4.34 3iv7B1 GLY 316 HA3 -0.31 0.08 0.30 -0.51 4.01 3.56 3iv7B1 ILE 317 H -0.18 0.49 -0.25 -0.55 8.25 7.75 3iv7B1 ILE 317 HA 0.08 0.07 0.31 -0.75 4.18 3.89 3iv7B1 ILE 317 HB -0.05 0.10 0.12 -0.04 1.89 2.02 3iv7B1 ILE 317 HG12 0.12 -0.02 -0.10 -0.04 1.49 1.46 3iv7B1 ILE 317 HG13 -0.22 0.04 0.06 -0.04 1.21 1.06 3iv7B1 ILE 317 HG23 0.00 0.01 -0.04 -0.04 0.93 0.87 3iv7B1 ILE 317 HD13 -0.03 0.02 -0.11 -0.04 0.88 0.72 3iv7B1 ALA 318 H -0.00 0.21 -0.16 -0.55 8.40 7.90 3iv7B1 ALA 318 HA 0.02 0.07 0.39 -0.75 4.34 4.07 3iv7B1 ALA 318 HB3 0.02 0.03 0.06 -0.04 1.41 1.48 3iv7B1 GLU 319 H 0.12 0.17 -0.17 -0.55 8.60 8.17 3iv7B1 GLU 319 HA 0.10 0.05 0.43 -0.75 4.29 4.12 3iv7B1 GLU 319 HB2 0.11 0.01 0.07 -0.04 2.09 2.24 3iv7B1 GLU 319 HB3 0.36 0.08 0.05 -0.04 1.99 2.45 3iv7B1 GLU 319 HG2 0.16 0.01 -0.27 -0.04 2.34 2.20 3iv7B1 GLU 319 HG3 0.06 -0.03 0.02 -0.04 2.34 2.34 3iv7B1 ALA 320 H 0.24 0.43 -0.23 -0.55 8.40 8.29 3iv7B1 ALA 320 HA 0.34 0.02 0.37 -0.75 4.34 4.31 3iv7B1 ALA 320 HB3 -0.02 0.03 0.06 -0.04 1.41 1.45 3iv7B1 VAL 321 H 0.06 0.70 -0.09 -0.55 8.24 8.36 3iv7B1 VAL 321 HA 0.01 -0.00 0.36 -0.75 4.13 3.75 3iv7B1 VAL 321 HB 0.02 0.13 0.16 -0.04 2.12 2.40 3iv7B1 VAL 321 HG13 0.00 -0.01 -0.08 -0.04 0.97 0.84 3iv7B1 VAL 321 HG23 -0.01 0.03 -0.08 -0.04 0.95 0.85 3iv7B1 ASP 322 H 0.06 0.54 -0.17 -0.55 8.40 8.28 3iv7B1 ASP 322 HA 0.03 -0.03 0.33 -0.75 4.63 4.21 3iv7B1 ASP 322 HB2 0.04 0.10 0.13 -0.04 2.71 2.94 3iv7B1 ASP 322 HB3 0.06 0.07 0.19 -0.04 2.70 2.97 3iv7B1 VAL 323 H 0.08 0.59 -0.12 -0.55 8.24 8.24 3iv7B1 VAL 323 HA 0.04 0.00 0.40 -0.75 4.13 3.81 3iv7B1 VAL 323 HB 0.05 0.00 0.07 -0.04 2.12 2.20 3iv7B1 VAL 323 HG13 0.13 0.14 0.11 -0.04 0.97 1.31 3iv7B1 VAL 323 HG23 0.07 -0.01 -0.09 -0.04 0.95 0.89 3iv7B1 THR 324 H 0.05 0.46 -0.14 -0.55 8.28 8.10 3iv7B1 THR 324 HA 0.04 0.09 0.37 -0.75 4.39 4.13 3iv7B1 THR 324 HB 0.00 0.03 0.04 -0.04 4.32 4.35 3iv7B1 THR 324 HG23 -0.01 -0.02 -0.27 -0.04 1.22 0.88 3iv7B1 LEU 325 H 0.02 0.59 -0.10 -0.55 8.37 8.33 3iv7B1 LEU 325 HA 0.00 -0.02 0.24 -0.75 4.35 3.81 3iv7B1 LEU 325 HB2 0.01 0.26 0.10 -0.04 1.64 1.97 3iv7B1 LEU 325 HB3 0.01 0.02 0.03 -0.04 1.64 1.66 3iv7B1 LEU 325 HG 0.01 0.06 -0.11 -0.04 1.64 1.56 3iv7B1 LEU 325 HD13 0.00 -0.03 -0.27 -0.04 0.93 0.58 3iv7B1 LEU 325 HD23 0.01 -0.06 -0.06 -0.04 0.89 0.74 3iv7B1 GLU 326 H 0.02 0.20 -0.27 -0.55 8.60 7.99 3iv7B1 GLU 326 HA 0.01 0.08 0.40 -0.75 4.29 4.03 3iv7B1 GLU 326 HB2 0.01 -0.01 0.05 -0.04 2.09 2.10 3iv7B1 GLU 326 HB3 0.01 -0.06 0.06 -0.04 1.99 1.97 3iv7B1 GLU 326 HG2 0.02 0.10 -0.01 -0.04 2.34 2.42 3iv7B1 GLU 326 HG3 0.01 0.05 -0.21 -0.04 2.34 2.15 3iv7B1 LYS 327 H 0.01 0.32 -0.35 -0.55 8.42 7.85 3iv7B1 LYS 327 HA -0.01 0.05 0.55 -0.75 4.32 4.16 3iv7B1 LYS 327 HB2 0.01 0.11 0.08 -0.04 1.87 2.03 3iv7B1 LYS 327 HB3 -0.02 -0.09 0.03 -0.04 1.79 1.67 3iv7B1 LYS 327 HG2 -0.03 -0.03 0.00 -0.04 1.46 1.36 3iv7B1 LYS 327 HG3 0.02 0.13 0.07 -0.04 1.46 1.64 3iv7B1 LYS 327 HD2 0.06 -0.02 -0.03 -0.04 1.69 1.65 3iv7B1 LYS 327 HD3 -0.05 -0.05 -0.02 -0.04 1.68 1.52 3iv7B1 LYS 327 HE2 0.07 -0.01 -0.06 -0.04 2.99 2.96 3iv7B1 LYS 327 HE3 0.08 0.11 -0.12 -0.04 2.99 3.02 3iv7B1 VAL 328 H 0.02 0.31 -0.29 -0.55 8.24 7.73 3iv7B1 VAL 328 HA 0.04 -0.05 0.21 -0.75 4.13 3.58 3iv7B1 VAL 328 HB 0.02 0.13 0.08 -0.04 2.12 2.31 3iv7B1 VAL 328 HG13 0.05 0.01 -0.09 -0.04 0.97 0.89 3iv7B1 VAL 328 HG23 0.01 -0.02 -0.04 -0.04 0.95 0.86 3iv7B1 PRO 329 HA 0.03 0.08 0.53 -0.51 4.44 4.57 3iv7B1 PRO 329 HB2 0.08 -0.04 -0.02 -0.04 2.28 2.27 3iv7B1 PRO 329 HB3 0.05 0.04 0.12 -0.04 2.02 2.19 3iv7B1 PRO 329 HG2 0.12 -0.03 0.15 -0.04 2.03 2.23 3iv7B1 PRO 329 HG3 0.06 0.18 0.16 -0.04 2.03 2.38 3iv7B1 PRO 329 HD2 0.10 -0.10 0.15 -0.04 3.68 3.79 3iv7B1 PRO 329 HD3 0.07 0.22 0.12 -0.04 3.65 4.02 3iv7B1 ALA 330 H 0.03 0.15 0.20 -0.55 8.40 8.23 3iv7B1 ALA 330 HA 0.03 0.09 0.40 -0.75 4.34 4.10 3iv7B1 ALA 330 HB3 0.02 0.00 0.13 -0.04 1.41 1.52 3iv7B1 ASN 331 H 0.04 0.01 -0.35 -0.55 8.53 7.68 3iv7B1 ASN 331 HA 0.04 0.20 0.55 -0.75 4.76 4.80 3iv7B1 ASN 331 HB2 0.05 0.03 0.11 -0.04 2.88 3.03 3iv7B1 ASN 331 HB3 0.04 -0.07 0.02 -0.04 2.79 2.74 3iv7B1 ASN 331 HD21 0.06 0.19 0.19 -0.04 7.03 7.43 3iv7B1 ASN 331 HD22 0.05 -0.05 0.06 -0.04 7.74 7.76 3iv7B1 ASN 332 H 0.05 0.44 -0.47 -0.55 8.53 8.01 3iv7B1 ASN 332 HA 0.07 0.09 0.53 -0.75 4.76 4.69 3iv7B1 ASN 332 HB2 0.07 -0.01 0.10 -0.04 2.88 2.99 3iv7B1 ASN 332 HB3 0.04 0.04 0.00 -0.04 2.79 2.84 3iv7B1 ASN 332 HD21 0.12 -0.12 -0.05 -0.04 7.03 6.94 3iv7B1 ASN 332 HD22 0.08 0.62 -0.07 -0.04 7.74 8.32 3iv7B1 PRO 333 HA -0.02 0.10 0.25 -0.51 4.44 4.26 3iv7B1 PRO 333 HB2 -0.22 -0.05 -0.07 -0.04 2.28 1.91 3iv7B1 PRO 333 HB3 -0.06 0.16 -0.21 -0.04 2.02 1.88 3iv7B1 PRO 333 HG2 -0.43 -0.07 0.05 -0.04 2.03 1.55 3iv7B1 PRO 333 HG3 0.10 0.06 0.11 -0.04 2.03 2.26 3iv7B1 PRO 333 HD2 -0.33 -0.06 0.20 -0.04 3.68 3.46 3iv7B1 PRO 333 HD3 0.08 0.31 0.32 -0.04 3.65 4.32 3iv7B1 ARG 334 H -0.13 0.03 -0.28 -0.55 8.46 7.53 3iv7B1 ARG 334 HA -0.12 0.21 0.91 -0.75 4.34 4.59 3iv7B1 ARG 334 HB2 -0.36 -0.03 -0.01 -0.04 1.90 1.45 3iv7B1 ARG 334 HB3 -0.40 -0.10 -0.03 -0.04 1.80 1.23 3iv7B1 ARG 334 HG2 -0.30 0.09 -0.31 -0.04 1.67 1.10 3iv7B1 ARG 334 HG3 -0.27 -0.01 0.01 -0.04 1.67 1.36 3iv7B1 ARG 334 HD2 -0.63 0.04 0.06 -0.04 3.22 2.65 3iv7B1 ARG 334 HD3 -2.06 -0.05 -0.06 -0.04 3.22 1.01 3iv7B1 PRO 335 HA 0.03 0.09 0.36 -0.51 4.44 4.40 3iv7B1 PRO 335 HB2 0.01 -0.08 0.06 -0.04 2.28 2.22 3iv7B1 PRO 335 HB3 0.01 0.03 0.06 -0.04 2.02 2.08 3iv7B1 PRO 335 HG2 -0.02 -0.03 0.09 -0.04 2.03 2.03 3iv7B1 PRO 335 HG3 -0.01 0.10 0.07 -0.04 2.03 2.16 3iv7B1 PRO 335 HD2 -0.07 0.02 0.21 -0.04 3.68 3.80 3iv7B1 PRO 335 HD3 -0.05 0.33 0.20 -0.04 3.65 4.10 3iv7B1 VAL 336 H 0.07 0.19 0.19 -0.55 8.24 8.14 3iv7B1 VAL 336 HA 0.21 0.06 0.69 -0.75 4.13 4.33 3iv7B1 VAL 336 HB 0.04 0.05 0.10 -0.04 2.12 2.28 3iv7B1 VAL 336 HG13 -0.03 -0.03 -0.11 -0.04 0.97 0.76 3iv7B1 VAL 336 HG23 0.11 0.03 0.00 -0.04 0.95 1.06 3iv7B1 THR 337 H 0.08 0.12 0.18 -0.55 8.28 8.11 3iv7B1 THR 337 HA 0.03 0.30 0.82 -0.75 4.39 4.79 3iv7B1 THR 337 HB 0.03 -0.10 0.12 -0.04 4.32 4.33 3iv7B1 THR 337 HG23 0.03 0.07 -0.16 -0.04 1.22 1.12 3iv7B1 ARG 338 H 0.02 0.25 0.13 -0.55 8.46 8.30 3iv7B1 ARG 338 HA 0.01 0.12 0.38 -0.75 4.34 4.10 3iv7B1 ARG 338 HB2 0.01 0.09 0.12 -0.04 1.90 2.08 3iv7B1 ARG 338 HB3 0.01 -0.03 0.15 -0.04 1.80 1.88 3iv7B1 ARG 338 HG2 0.01 -0.02 -0.18 -0.04 1.67 1.43 3iv7B1 ARG 338 HG3 0.01 0.02 0.01 -0.04 1.67 1.67 3iv7B1 ARG 338 HD2 0.01 -0.00 -0.01 -0.04 3.22 3.17 3iv7B1 ARG 338 HD3 0.01 0.01 -0.02 -0.04 3.22 3.18 3iv7B1 GLU 339 H 0.02 0.10 -0.18 -0.55 8.60 7.99 3iv7B1 GLU 339 HA 0.01 0.10 0.31 -0.75 4.29 3.96 3iv7B1 GLU 339 HB2 0.02 0.01 0.08 -0.04 2.09 2.16 3iv7B1 GLU 339 HB3 0.02 0.07 -0.00 -0.04 1.99 2.04 3iv7B1 GLU 339 HG2 0.01 0.07 0.01 -0.04 2.34 2.39 3iv7B1 GLU 339 HG3 0.01 0.02 -0.01 -0.04 2.34 2.32 3iv7B1 ASN 340 H 0.05 0.08 -0.11 -0.55 8.53 8.00 3iv7B1 ASN 340 HA 0.07 0.13 0.55 -0.75 4.76 4.76 3iv7B1 ASN 340 HB2 0.27 0.11 0.12 -0.04 2.88 3.34 3iv7B1 ASN 340 HB3 0.11 0.00 0.08 -0.04 2.79 2.94 3iv7B1 ASN 340 HD21 0.19 0.47 0.24 -0.04 7.03 7.89 3iv7B1 ASN 340 HD22 0.11 0.00 0.04 -0.04 7.74 7.85 3iv7B1 LEU 341 H -0.01 0.49 -0.21 -0.55 8.37 8.09 3iv7B1 LEU 341 HA -0.22 0.10 0.63 -0.75 4.35 4.10 3iv7B1 LEU 341 HB2 -0.09 0.01 0.04 -0.04 1.64 1.57 3iv7B1 LEU 341 HB3 -0.04 0.09 0.08 -0.04 1.64 1.72 3iv7B1 LEU 341 HG -0.07 -0.05 -0.11 -0.04 1.64 1.36 3iv7B1 LEU 341 HD13 -0.18 -0.01 -0.00 -0.04 0.93 0.70 3iv7B1 LEU 341 HD23 -0.04 0.01 -0.09 -0.04 0.89 0.74 3iv7B1 SER 342 H -0.02 0.45 -0.10 -0.55 8.46 8.25 3iv7B1 SER 342 HA -0.02 0.02 0.50 -0.75 4.49 4.24 3iv7B1 SER 342 HB2 -0.00 0.12 0.17 -0.04 3.95 4.19 3iv7B1 SER 342 HB3 -0.01 -0.07 -0.00 -0.04 3.93 3.81 3iv7B1 ARG 343 H -0.00 0.40 -0.22 -0.55 8.46 8.09 3iv7B1 ARG 343 HA -0.01 0.01 0.37 -0.75 4.34 3.96 3iv7B1 ARG 343 HB2 0.02 0.03 0.10 -0.04 1.90 2.01 3iv7B1 ARG 343 HB3 0.04 0.10 0.11 -0.04 1.80 2.01 3iv7B1 ARG 343 HG2 0.05 0.06 -0.03 -0.04 1.67 1.70 3iv7B1 ARG 343 HG3 0.04 -0.01 -0.17 -0.04 1.67 1.49 3iv7B1 ARG 343 HD2 0.01 -0.07 0.04 -0.04 3.22 3.15 3iv7B1 ARG 343 HD3 0.02 -0.00 -0.01 -0.04 3.22 3.19 3iv7B1 LEU 344 H -0.06 0.31 -0.38 -0.55 8.37 7.70 3iv7B1 LEU 344 HA -0.01 0.06 0.42 -0.75 4.35 4.07 3iv7B1 LEU 344 HB2 -0.23 0.16 0.15 -0.04 1.64 1.68 3iv7B1 LEU 344 HB3 -0.19 0.08 0.15 -0.04 1.64 1.65 3iv7B1 LEU 344 HG -0.00 -0.03 -0.07 -0.04 1.64 1.49 3iv7B1 LEU 344 HD13 -0.49 -0.00 -0.09 -0.04 0.93 0.31 3iv7B1 LEU 344 HD23 -0.11 -0.02 -0.24 -0.04 0.89 0.48 3iv7B1 LEU 345 H -0.09 0.50 -0.17 -0.55 8.37 8.06 3iv7B1 LEU 345 HA -0.14 0.01 0.30 -0.75 4.35 3.77 3iv7B1 LEU 345 HB2 -0.02 0.13 0.13 -0.04 1.64 1.84 3iv7B1 LEU 345 HB3 0.06 -0.07 -0.03 -0.04 1.64 1.56 3iv7B1 LEU 345 HG -0.10 0.13 0.04 -0.04 1.64 1.67 3iv7B1 LEU 345 HD13 -0.03 -0.01 -0.08 -0.04 0.93 0.78 3iv7B1 LEU 345 HD23 -0.20 -0.01 -0.06 -0.04 0.89 0.57 3iv7B1 GLU 346 H -0.05 0.49 -0.28 -0.55 8.60 8.21 3iv7B1 GLU 346 HA -0.04 -0.02 0.51 -0.75 4.29 3.98 3iv7B1 GLU 346 HB2 -0.03 0.15 0.13 -0.04 2.09 2.30 3iv7B1 GLU 346 HB3 -0.03 -0.03 -0.01 -0.04 1.99 1.87 3iv7B1 GLU 346 HG2 -0.04 -0.09 0.04 -0.04 2.34 2.22 3iv7B1 GLU 346 HG3 -0.03 0.16 0.03 -0.04 2.34 2.46 3iv7B1 ALA 347 H -0.12 0.50 -0.23 -0.55 8.40 8.01 3iv7B1 ALA 347 HA -0.09 -0.02 0.44 -0.75 4.34 3.91 3iv7B1 ALA 347 HB3 -0.04 0.06 0.05 -0.04 1.41 1.43 3iv7B1 ALA 348 H -0.49 0.56 -0.02 -0.55 8.40 7.90 3iv7B1 ALA 348 HA -0.90 0.18 0.56 -0.75 4.34 3.43 3iv7B1 ALA 348 HB3 -0.33 -0.00 -0.01 -0.04 1.41 1.03 3iv7B1 LEU 349 H -0.12 0.55 -0.29 -0.55 8.37 7.96 3iv7B1 LEU 349 HA 0.07 -0.11 0.46 -0.75 4.35 4.01 3iv7B1 LEU 349 HB2 0.13 0.04 0.01 -0.04 1.64 1.77 3iv7B1 LEU 349 HB3 -0.02 0.14 0.17 -0.04 1.64 1.89 3iv7B1 LEU 349 HG -0.02 0.03 -0.33 -0.04 1.64 1.28 3iv7B1 LEU 349 HD13 0.06 -0.02 -0.29 -0.04 0.93 0.64 3iv7B1 LEU 349 HD23 -0.10 -0.04 -0.13 -0.04 0.89 0.58 3iv7B1 ASN 350 H -0.07 0.40 -0.18 -0.55 8.53 8.12 3iv7B1 ASN 350 HA -0.02 0.12 0.73 -0.75 4.76 4.84 3iv7B1 ASN 350 HB2 -0.03 0.08 0.05 -0.04 2.88 2.94 3iv7B1 ASN 350 HB3 -0.01 -0.01 0.08 -0.04 2.79 2.81 3iv7B1 ASN 350 HD21 -0.03 -0.07 -0.08 -0.04 7.03 6.80 3iv7B1 ASN 350 HD22 -0.02 0.06 -0.05 -0.04 7.74 7.69 3iv7B1 GLY 351 H -0.06 0.19 -0.17 -0.55 8.43 7.84 3iv7B1 GLY 351 HA2 0.16 0.18 0.44 -0.51 4.01 4.28 3iv7B1 GLY 351 HA3 0.07 -0.01 0.37 -0.51 4.01 3.93 3iv7B1 GLU 352 H 0.05 0.29 0.10 -0.55 8.60 8.49 3iv7B1 GLU 352 HA 0.07 0.07 0.51 -0.75 4.29 4.18 3iv7B1 GLU 352 HB2 0.13 -0.02 -0.04 -0.04 2.09 2.11 3iv7B1 GLU 352 HB3 0.08 -0.05 0.07 -0.04 1.99 2.05 3iv7B1 GLU 352 HG2 0.02 0.02 -0.04 -0.04 2.34 2.30 3iv7B1 GLU 352 HG3 0.00 0.00 -0.00 -0.04 2.34 2.30 3iv7B1 ASP 353 H 0.06 0.07 0.12 -0.55 8.40 8.11 3iv7B1 ASP 353 HA 0.02 0.18 0.48 -0.75 4.63 4.56 3iv7B1 ASP 353 HB2 0.02 0.08 0.14 -0.04 2.71 2.91 3iv7B1 ASP 353 HB3 0.03 -0.06 0.12 -0.04 2.70 2.74 3iv7B1 PRO 354 HA 0.07 0.11 0.43 -0.51 4.44 4.53 3iv7B1 PRO 354 HB2 -0.16 -0.04 -0.07 -0.04 2.28 1.97 3iv7B1 PRO 354 HB3 -0.41 0.08 -0.19 -0.04 2.02 1.46 3iv7B1 PRO 354 HG2 -0.32 0.02 0.00 -0.04 2.03 1.69 3iv7B1 PRO 354 HG3 -0.98 0.14 -0.04 -0.04 2.03 1.11 3iv7B1 PRO 354 HD2 -0.10 0.00 0.19 -0.04 3.68 3.73 3iv7B1 PRO 354 HD3 -0.09 0.37 0.23 -0.04 3.65 4.12 3iv7B1 ALA 355 H -0.02 0.12 -0.30 -0.55 8.40 7.66 3iv7B1 ALA 355 HA -0.00 0.05 0.33 -0.75 4.34 3.97 3iv7B1 ALA 355 HB3 -0.01 0.01 0.00 -0.04 1.41 1.38 3iv7B1 VAL 356 H 0.05 0.41 -0.62 -0.55 8.24 7.53 3iv7B1 VAL 356 HA 0.03 0.04 0.37 -0.75 4.13 3.82 3iv7B1 VAL 356 HB 0.04 -0.03 0.03 -0.04 2.12 2.12 3iv7B1 VAL 356 HG13 0.04 -0.00 0.02 -0.04 0.97 0.99 3iv7B1 VAL 356 HG23 0.10 0.06 -0.15 -0.04 0.95 0.92 3iv7B1 LEU 357 H 0.09 0.53 -0.30 -0.55 8.37 8.15 3iv7B1 LEU 357 HA 0.09 0.13 0.69 -0.75 4.35 4.50 3iv7B1 LEU 357 HB2 0.16 0.07 -0.03 -0.04 1.64 1.81 3iv7B1 LEU 357 HB3 0.25 -0.03 0.08 -0.04 1.64 1.90 3iv7B1 LEU 357 HG 0.21 -0.02 -0.04 -0.04 1.64 1.74 3iv7B1 LEU 357 HD13 0.25 -0.01 0.06 -0.04 0.93 1.19 3iv7B1 LEU 357 HD23 0.11 0.03 -0.19 -0.04 0.89 0.80 3iv7B1 SER 358 H 0.02 0.30 -0.50 -0.55 8.46 7.74 3iv7B1 SER 358 HA -0.03 0.30 0.03 -0.75 4.49 4.04 3iv7B1 SER 358 HB2 -0.01 0.08 0.07 -0.04 3.95 4.04 3iv7B1 SER 358 HB3 -0.02 -0.06 0.06 -0.04 3.93 3.87