============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. HIS 3 0.900 41.634 25.650 12.255 -99.200 -91.000 TYR 4 0.840 39.631 21.467 10.837 -99.200 -91.000 PHE 10 1.000 28.280 26.105 15.398 -99.200 -91.000 PHE 11 1.000 29.089 20.872 17.992 -99.200 -91.000 PHE 14 1.000 24.254 21.647 14.792 -99.200 -91.000 TYR 21 0.840 27.152 16.457 16.062 -99.200 -91.000 TYR 25 0.840 12.103 5.295 14.114 -99.200 -91.000 PHE 26 1.000 11.954 13.803 12.762 -99.200 -91.000 TYR 38 0.840 13.569 12.496 25.364 -99.200 -91.000 TRP 63 1.040 25.545 16.460 25.408 -99.200 -91.000 TRP6 63 1.020 27.148 17.754 26.609 -99.200 -91.000 PHE 74 1.000 13.705 -1.111 28.123 -99.200 -91.000 HIS 88 0.900 33.095 11.330 33.984 -99.200 -91.000 TRP 111 1.040 36.024 0.855 21.271 -99.200 -91.000 TRP6 111 1.020 37.468 -0.938 20.691 -99.200 -91.000 PHE 114 1.000 33.264 -1.430 30.217 -99.200 -91.000 PHE 127 1.000 31.219 12.728 17.092 -99.200 -91.000 HIS 129 0.900 33.893 6.183 22.819 -99.200 -91.000 TYR 132 0.840 35.322 0.063 12.042 -99.200 -91.000 PHE 135 1.000 32.564 -1.568 18.809 -99.200 -91.000 PHE 136 1.000 31.497 -4.699 15.139 -99.200 -91.000 PHE 140 1.000 30.559 -13.620 20.419 -99.200 -91.000 TYR 157 0.840 25.668 3.181 -0.140 -99.200 -91.000 HIS 158 0.900 34.875 -0.897 -2.175 -99.200 -91.000 TYR 160 0.840 36.057 -1.999 -6.149 -99.200 -91.000 PHE 171 1.000 36.192 10.045 -9.833 -99.200 -91.000 PHE 176 1.000 29.443 16.671 2.346 -99.200 -91.000 PHE 179 1.000 33.028 19.777 4.994 -99.200 -91.000 PHE 185 1.000 31.204 13.948 12.840 -99.200 -91.000 HIS 199 0.900 35.466 -5.367 10.229 -99.200 -91.000 PHE 205 1.000 28.363 -9.512 18.442 -99.200 -91.000 HIS 216 0.900 12.750 7.997 10.256 -99.200 -91.000 TYR 217 0.840 21.789 11.646 10.321 -99.200 -91.000 TRP 224 1.040 20.183 18.560 14.007 -99.200 -91.000 TRP6 224 1.020 21.713 16.788 13.729 -99.200 -91.000 TYR 244 0.840 25.980 30.344 9.594 -99.200 -91.000 TYR 247 0.840 30.110 22.153 12.638 -99.200 -91.000 TYR 250 0.840 28.006 17.176 9.136 -99.200 -91.000 HIS 256 0.900 22.889 17.387 -3.285 -99.200 -91.000 TYR 257 0.840 27.037 14.946 -1.775 -99.200 -91.000 PHE 258 1.000 22.462 10.643 5.477 -99.200 -91.000 TYR 270 0.840 26.610 -5.399 15.008 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fk7A1 GLN 22 HA 0.34 0.10 0.24 -0.75 4.36 4.29 2fk7A1 GLN 22 HB2 0.07 -0.05 0.06 -0.04 2.15 2.18 2fk7A1 GLN 22 HB3 0.10 0.03 -0.09 -0.04 2.02 2.03 2fk7A1 GLN 22 HG2 0.09 0.05 0.07 -0.04 2.40 2.57 2fk7A1 GLN 22 HG3 0.06 -0.01 0.04 -0.04 2.39 2.44 2fk7A1 GLN 22 HE21 0.01 0.06 -0.06 -0.04 6.97 6.94 2fk7A1 GLN 22 HE22 0.02 -0.00 0.03 -0.04 7.69 7.70 2fk7A1 ALA 23 H 0.05 0.24 0.10 -0.55 8.40 8.25 2fk7A1 ALA 23 HA 0.06 0.09 0.41 -0.75 4.34 4.14 2fk7A1 ALA 23 HB3 0.03 0.01 0.11 -0.04 1.41 1.52 2fk7A1 HIS 24 H 0.02 0.16 -0.54 -0.55 8.41 7.51 2fk7A1 HIS 24 HA -0.16 0.08 0.62 -0.75 4.63 4.42 2fk7A1 HIS 24 HB2 -0.22 -0.03 0.05 -0.04 3.26 3.02 2fk7A1 HIS 24 HB3 -0.64 0.08 -0.03 -0.04 3.20 2.57 2fk7A1 HIS 24 HD2 -0.13 -0.01 0.04 -0.04 6.97 6.82 2fk7A1 HIS 24 HE1 -0.14 -0.04 -0.04 -0.04 7.75 7.48 2fk7A1 TYR 25 H 0.02 0.59 -0.15 -0.55 8.29 8.20 2fk7A1 TYR 25 HA -0.08 0.11 0.53 -0.75 4.56 4.36 2fk7A1 TYR 25 HB2 -0.00 0.14 0.11 -0.04 3.06 3.26 2fk7A1 TYR 25 HB3 -0.05 0.13 0.12 -0.04 2.98 3.14 2fk7A1 TYR 25 HD2 -0.00 0.04 0.08 -0.04 7.15 7.23 2fk7A1 TYR 25 HE2 0.06 -0.05 -0.02 -0.04 6.85 6.80 2fk7A1 ASP 26 H 0.01 0.11 -0.46 -0.55 8.40 7.52 2fk7A1 ASP 26 HA 0.12 0.02 0.45 -0.75 4.63 4.47 2fk7A1 ASP 26 HB2 0.02 0.03 -0.00 -0.04 2.71 2.72 2fk7A1 ASP 26 HB3 0.07 -0.07 -0.03 -0.04 2.70 2.62 2fk7A1 VAL 27 H 0.18 0.19 0.23 -0.55 8.24 8.29 2fk7A1 VAL 27 HA -0.08 0.17 0.87 -0.75 4.13 4.34 2fk7A1 VAL 27 HB -0.06 -0.03 0.08 -0.04 2.12 2.07 2fk7A1 VAL 27 HG13 -0.72 0.02 -0.00 -0.04 0.97 0.22 2fk7A1 VAL 27 HG23 -0.13 0.09 -0.14 -0.04 0.95 0.74 2fk7A1 SER 28 H -0.02 0.19 0.14 -0.55 8.46 8.23 2fk7A1 SER 28 HA 0.12 0.10 0.46 -0.75 4.49 4.42 2fk7A1 SER 28 HB2 0.07 -0.02 0.16 -0.04 3.95 4.11 2fk7A1 SER 28 HB3 0.03 0.14 0.15 -0.04 3.93 4.22 2fk7A1 ASP 29 H 0.18 0.16 0.20 -0.55 8.40 8.40 2fk7A1 ASP 29 HA 0.40 0.10 0.43 -0.75 4.63 4.80 2fk7A1 ASP 29 HB2 0.13 0.02 0.10 -0.04 2.71 2.92 2fk7A1 ASP 29 HB3 0.13 0.05 0.06 -0.04 2.70 2.91 2fk7A1 ASP 30 H 0.07 0.07 -0.28 -0.55 8.40 7.70 2fk7A1 ASP 30 HA -0.04 0.09 0.32 -0.75 4.63 4.24 2fk7A1 ASP 30 HB2 0.02 0.04 -0.00 -0.04 2.71 2.72 2fk7A1 ASP 30 HB3 -0.02 0.08 0.03 -0.04 2.70 2.75 2fk7A1 PHE 31 H 0.07 0.41 -0.40 -0.55 8.34 7.87 2fk7A1 PHE 31 HA -0.15 0.14 0.46 -0.75 4.62 4.31 2fk7A1 PHE 31 HB2 -0.22 -0.00 0.01 -0.04 3.15 2.91 2fk7A1 PHE 31 HB3 -0.52 0.09 0.08 -0.04 3.06 2.67 2fk7A1 PHE 31 HD2 -0.71 0.03 -0.14 -0.04 7.28 6.42 2fk7A1 PHE 31 HE2 -0.32 -0.03 -0.12 -0.04 7.38 6.87 2fk7A1 PHE 31 HZ -0.05 -0.01 -0.06 -0.04 7.32 7.16 2fk7A1 PHE 32 H -0.16 0.24 -0.06 -0.55 8.34 7.80 2fk7A1 PHE 32 HA -0.85 0.04 0.34 -0.75 4.62 3.39 2fk7A1 PHE 32 HB2 -0.23 0.09 0.13 -0.04 3.15 3.10 2fk7A1 PHE 32 HB3 -0.61 -0.03 0.02 -0.04 3.06 2.40 2fk7A1 PHE 32 HD2 -0.39 -0.02 -0.04 -0.04 7.28 6.80 2fk7A1 PHE 32 HE2 -0.03 0.09 -0.05 -0.04 7.38 7.35 2fk7A1 PHE 32 HZ 0.04 0.09 0.04 -0.04 7.32 7.45 2fk7A1 ALA 33 H -0.13 0.37 -0.43 -0.55 8.40 7.66 2fk7A1 ALA 33 HA -0.23 -0.02 0.28 -0.75 4.34 3.62 2fk7A1 ALA 33 HB3 -0.15 0.04 0.01 -0.04 1.41 1.28 2fk7A1 LEU 34 H -0.32 0.60 -0.49 -0.55 8.37 7.61 2fk7A1 LEU 34 HA -0.12 0.08 0.56 -0.75 4.35 4.12 2fk7A1 LEU 34 HB2 -0.40 0.15 0.11 -0.04 1.64 1.46 2fk7A1 LEU 34 HB3 -0.15 -0.05 0.13 -0.04 1.64 1.52 2fk7A1 LEU 34 HG -0.14 0.11 -0.00 -0.04 1.64 1.57 2fk7A1 LEU 34 HD13 -0.11 -0.03 -0.12 -0.04 0.93 0.63 2fk7A1 LEU 34 HD23 -0.07 -0.02 -0.03 -0.04 0.89 0.74 2fk7A1 PHE 35 H -0.41 0.44 -0.20 -0.55 8.34 7.62 2fk7A1 PHE 35 HA -0.05 0.17 0.59 -0.75 4.62 4.57 2fk7A1 PHE 35 HB2 -0.01 0.10 0.22 -0.04 3.15 3.42 2fk7A1 PHE 35 HB3 -0.20 -0.01 -0.10 -0.04 3.06 2.70 2fk7A1 PHE 35 HD2 -0.65 -0.02 -0.17 -0.04 7.28 6.40 2fk7A1 PHE 35 HE2 -0.80 -0.04 -0.09 -0.04 7.38 6.41 2fk7A1 PHE 35 HZ -0.12 -0.02 -0.04 -0.04 7.32 7.10 2fk7A1 GLN 36 H -0.43 0.30 0.10 -0.55 8.47 7.89 2fk7A1 GLN 36 HA -0.03 0.04 0.37 -0.75 4.36 3.99 2fk7A1 GLN 36 HB2 -0.35 0.07 -0.04 -0.04 2.15 1.79 2fk7A1 GLN 36 HB3 -0.11 -0.15 -0.03 -0.04 2.02 1.69 2fk7A1 GLN 36 HG2 -0.51 0.08 -0.12 -0.04 2.40 1.81 2fk7A1 GLN 36 HG3 -1.37 -0.02 -0.10 -0.04 2.39 0.87 2fk7A1 GLN 36 HE21 -0.82 -0.03 -0.09 -0.04 6.97 5.99 2fk7A1 GLN 36 HE22 -1.04 0.01 -0.09 -0.04 7.69 6.52 2fk7A1 ASP 37 H 0.24 0.06 0.11 -0.55 8.40 8.26 2fk7A1 ASP 37 HA 0.10 0.21 0.52 -0.75 4.63 4.70 2fk7A1 ASP 37 HB2 0.09 -0.04 0.11 -0.04 2.71 2.84 2fk7A1 ASP 37 HB3 0.19 0.04 0.02 -0.04 2.70 2.91 2fk7A1 PRO 38 HA -0.05 0.20 0.34 -0.51 4.44 4.43 2fk7A1 PRO 38 HB2 0.03 -0.00 0.00 -0.04 2.28 2.26 2fk7A1 PRO 38 HB3 -0.01 0.09 0.09 -0.04 2.02 2.15 2fk7A1 PRO 38 HG2 0.04 0.03 0.08 -0.04 2.03 2.13 2fk7A1 PRO 38 HG3 0.02 0.13 0.08 -0.04 2.03 2.21 2fk7A1 PRO 38 HD2 0.06 -0.01 0.19 -0.04 3.68 3.87 2fk7A1 PRO 38 HD3 0.06 0.13 0.23 -0.04 3.65 4.02 2fk7A1 THR 39 H -0.01 0.01 -0.34 -0.55 8.28 7.38 2fk7A1 THR 39 HA -0.04 0.23 0.62 -0.75 4.39 4.43 2fk7A1 THR 39 HB -0.08 -0.01 0.04 -0.04 4.32 4.24 2fk7A1 THR 39 HG23 -0.19 0.01 -0.04 -0.04 1.22 0.96 2fk7A1 ARG 40 H -0.07 0.56 -0.42 -0.55 8.46 7.97 2fk7A1 ARG 40 HA -0.14 0.10 0.16 -0.75 4.34 3.71 2fk7A1 ARG 40 HB2 -0.53 0.17 0.03 -0.04 1.90 1.52 2fk7A1 ARG 40 HB3 -0.43 -0.08 0.11 -0.04 1.80 1.35 2fk7A1 ARG 40 HG2 -0.38 0.04 -0.12 -0.04 1.67 1.17 2fk7A1 ARG 40 HG3 -0.37 0.13 -0.38 -0.04 1.67 1.01 2fk7A1 ARG 40 HD2 -2.16 -0.08 -0.06 -0.04 3.22 0.88 2fk7A1 ARG 40 HD3 -0.88 -0.04 -0.07 -0.04 3.22 2.20 2fk7A1 THR 41 H 0.09 -0.03 -0.26 -0.55 8.28 7.53 2fk7A1 THR 41 HA 0.23 0.09 0.53 -0.75 4.39 4.48 2fk7A1 THR 41 HB 0.16 -0.03 0.04 -0.04 4.32 4.45 2fk7A1 THR 41 HG23 0.15 -0.01 -0.20 -0.04 1.22 1.12 2fk7A1 TYR 42 H 0.35 0.15 0.06 -0.55 8.29 8.29 2fk7A1 TYR 42 HA 0.17 0.16 0.54 -0.75 4.56 4.67 2fk7A1 TYR 42 HB2 0.08 0.04 0.00 -0.04 3.06 3.14 2fk7A1 TYR 42 HB3 0.25 -0.02 0.20 -0.04 2.98 3.37 2fk7A1 TYR 42 HD2 0.08 -0.01 0.00 -0.04 7.15 7.19 2fk7A1 TYR 42 HE2 0.23 0.02 -0.02 -0.04 6.85 7.05 2fk7A1 SER 43 H 0.62 0.40 -0.30 -0.55 8.46 8.63 2fk7A1 SER 43 HA 0.44 0.10 0.41 -0.75 4.49 4.69 2fk7A1 SER 43 HB2 0.08 -0.05 -0.01 -0.04 3.95 3.93 2fk7A1 SER 43 HB3 0.18 0.17 -0.10 -0.04 3.93 4.14 2fk7A1 CYS 44 H -0.28 0.08 0.02 -0.55 8.50 7.77 2fk7A1 CYS 44 HA -0.84 -0.00 0.35 -0.75 4.58 3.33 2fk7A1 CYS 44 HB2 -1.19 -0.05 0.04 -0.04 2.97 1.72 2fk7A1 CYS 44 HB3 -0.33 -0.00 -0.01 -0.04 2.97 2.58 2fk7A1 ALA 45 H -0.24 0.05 0.14 -0.55 8.40 7.80 2fk7A1 ALA 45 HA -0.14 0.13 0.56 -0.75 4.34 4.13 2fk7A1 ALA 45 HB3 -0.34 -0.02 -0.08 -0.04 1.41 0.93 2fk7A1 TYR 46 H -0.21 0.63 0.10 -0.55 8.29 8.26 2fk7A1 TYR 46 HA -0.37 0.12 0.84 -0.75 4.56 4.39 2fk7A1 TYR 46 HB2 -0.23 0.01 -0.16 -0.04 3.06 2.64 2fk7A1 TYR 46 HB3 -0.20 -0.04 -0.05 -0.04 2.98 2.65 2fk7A1 TYR 46 HD2 -0.54 0.01 -0.12 -0.04 7.15 6.47 2fk7A1 TYR 46 HE2 -0.16 0.02 -0.08 -0.04 6.85 6.60 2fk7A1 PHE 47 H 0.54 0.17 -0.06 -0.55 8.34 8.44 2fk7A1 PHE 47 HA -0.04 0.14 0.51 -0.75 4.62 4.48 2fk7A1 PHE 47 HB2 0.09 -0.04 0.14 -0.04 3.15 3.30 2fk7A1 PHE 47 HB3 -0.01 0.08 0.12 -0.04 3.06 3.21 2fk7A1 PHE 47 HD2 0.06 0.09 -0.06 -0.04 7.28 7.33 2fk7A1 PHE 47 HE2 -0.03 0.01 -0.21 -0.04 7.38 7.10 2fk7A1 PHE 47 HZ -0.04 -0.06 -0.11 -0.04 7.32 7.06 2fk7A1 GLU 48 H -0.33 0.49 -0.16 -0.55 8.60 8.05 2fk7A1 GLU 48 HA -0.10 -0.00 0.51 -0.75 4.29 3.95 2fk7A1 GLU 48 HB2 -0.60 0.01 0.01 -0.04 2.09 1.47 2fk7A1 GLU 48 HB3 -0.15 0.02 -0.06 -0.04 1.99 1.77 2fk7A1 GLU 48 HG2 -0.60 -0.06 -0.39 -0.04 2.34 1.25 2fk7A1 GLU 48 HG3 -0.37 0.01 -0.10 -0.04 2.34 1.85 2fk7A1 PRO 49 HA -0.02 0.15 0.30 -0.51 4.44 4.37 2fk7A1 PRO 49 HB2 0.01 -0.08 -0.01 -0.04 2.28 2.17 2fk7A1 PRO 49 HB3 0.00 0.08 0.08 -0.04 2.02 2.15 2fk7A1 PRO 49 HG2 0.02 -0.06 -0.06 -0.04 2.03 1.90 2fk7A1 PRO 49 HG3 0.01 0.08 0.03 -0.04 2.03 2.11 2fk7A1 PRO 49 HD2 0.00 0.10 0.28 -0.04 3.68 4.02 2fk7A1 PRO 49 HD3 -0.00 0.14 0.17 -0.04 3.65 3.91 2fk7A1 PRO 50 HA 0.11 0.17 0.40 -0.51 4.44 4.61 2fk7A1 PRO 50 HB2 -0.01 0.01 -0.04 -0.04 2.28 2.21 2fk7A1 PRO 50 HB3 -0.03 0.03 0.11 -0.04 2.02 2.10 2fk7A1 PRO 50 HG2 -0.01 0.03 0.07 -0.04 2.03 2.09 2fk7A1 PRO 50 HG3 -0.00 0.08 0.11 -0.04 2.03 2.18 2fk7A1 PRO 50 HD2 0.01 0.08 0.16 -0.04 3.68 3.88 2fk7A1 PRO 50 HD3 0.00 0.12 0.20 -0.04 3.65 3.93 2fk7A1 GLU 51 H 0.04 0.05 -0.41 -0.55 8.60 7.73 2fk7A1 GLU 51 HA 0.04 0.17 0.51 -0.75 4.29 4.24 2fk7A1 GLU 51 HB2 0.03 -0.00 -0.07 -0.04 2.09 2.01 2fk7A1 GLU 51 HB3 0.03 0.01 0.09 -0.04 1.99 2.07 2fk7A1 GLU 51 HG2 0.01 0.02 -0.02 -0.04 2.34 2.31 2fk7A1 GLU 51 HG3 0.01 0.01 -0.08 -0.04 2.34 2.24 2fk7A1 LEU 52 H 0.15 0.31 -0.52 -0.55 8.37 7.77 2fk7A1 LEU 52 HA 0.08 -0.00 0.38 -0.75 4.35 4.05 2fk7A1 LEU 52 HB2 0.09 0.00 -0.07 -0.04 1.64 1.62 2fk7A1 LEU 52 HB3 0.02 -0.11 -0.10 -0.04 1.64 1.41 2fk7A1 LEU 52 HG 0.03 0.26 -0.20 -0.04 1.64 1.69 2fk7A1 LEU 52 HD13 -0.04 0.04 -0.19 -0.04 0.93 0.70 2fk7A1 LEU 52 HD23 0.03 -0.03 -0.09 -0.04 0.89 0.76 2fk7A1 THR 53 H 0.09 0.06 0.17 -0.55 8.28 8.04 2fk7A1 THR 53 HA 0.16 0.22 0.57 -0.75 4.39 4.58 2fk7A1 THR 53 HB 0.10 -0.02 0.17 -0.04 4.32 4.52 2fk7A1 THR 53 HG23 0.07 0.06 0.09 -0.04 1.22 1.39 2fk7A1 LEU 54 H 0.19 0.23 0.13 -0.55 8.37 8.38 2fk7A1 LEU 54 HA 0.14 0.12 0.37 -0.75 4.35 4.23 2fk7A1 LEU 54 HB2 0.24 0.10 0.12 -0.04 1.64 2.06 2fk7A1 LEU 54 HB3 0.18 -0.02 0.13 -0.04 1.64 1.89 2fk7A1 LEU 54 HG 0.19 -0.09 -0.19 -0.04 1.64 1.51 2fk7A1 LEU 54 HD13 0.11 0.01 0.05 -0.04 0.93 1.06 2fk7A1 LEU 54 HD23 0.42 0.03 -0.02 -0.04 0.89 1.27 2fk7A1 GLU 55 H 0.10 0.13 -0.11 -0.55 8.60 8.17 2fk7A1 GLU 55 HA 0.04 0.04 0.42 -0.75 4.29 4.04 2fk7A1 GLU 55 HB2 0.09 0.03 0.13 -0.04 2.09 2.29 2fk7A1 GLU 55 HB3 0.10 0.02 0.08 -0.04 1.99 2.15 2fk7A1 GLU 55 HG2 0.27 0.05 -0.21 -0.04 2.34 2.41 2fk7A1 GLU 55 HG3 0.08 -0.09 0.03 -0.04 2.34 2.32 2fk7A1 GLU 56 H 0.08 0.07 -0.21 -0.55 8.60 7.99 2fk7A1 GLU 56 HA 0.20 0.08 0.43 -0.75 4.29 4.24 2fk7A1 GLU 56 HB2 0.05 -0.02 0.13 -0.04 2.09 2.22 2fk7A1 GLU 56 HB3 0.05 0.09 0.02 -0.04 1.99 2.11 2fk7A1 GLU 56 HG2 0.05 0.08 0.04 -0.04 2.34 2.46 2fk7A1 GLU 56 HG3 0.08 -0.08 0.05 -0.04 2.34 2.34 2fk7A1 ALA 57 H -0.09 0.67 -0.28 -0.55 8.40 8.15 2fk7A1 ALA 57 HA -0.19 0.19 0.40 -0.75 4.34 3.98 2fk7A1 ALA 57 HB3 -0.88 -0.01 -0.17 -0.04 1.41 0.31 2fk7A1 GLN 58 H -0.08 0.37 -0.41 -0.55 8.47 7.81 2fk7A1 GLN 58 HA -0.09 0.05 0.58 -0.75 4.36 4.14 2fk7A1 GLN 58 HB2 -0.14 0.11 0.17 -0.04 2.15 2.25 2fk7A1 GLN 58 HB3 -0.11 -0.07 0.01 -0.04 2.02 1.80 2fk7A1 GLN 58 HG2 -0.01 0.27 0.04 -0.04 2.40 2.66 2fk7A1 GLN 58 HG3 0.08 -0.15 -0.01 -0.04 2.39 2.27 2fk7A1 GLN 58 HE21 0.26 0.48 -0.01 -0.04 6.97 7.65 2fk7A1 GLN 58 HE22 0.34 -0.08 0.01 -0.04 7.69 7.91 2fk7A1 TYR 59 H 0.03 0.41 -0.04 -0.55 8.29 8.13 2fk7A1 TYR 59 HA 0.01 0.01 0.57 -0.75 4.56 4.40 2fk7A1 TYR 59 HB2 -0.00 0.11 0.18 -0.04 3.06 3.30 2fk7A1 TYR 59 HB3 0.01 0.02 -0.03 -0.04 2.98 2.93 2fk7A1 TYR 59 HD2 0.01 0.03 -0.02 -0.04 7.15 7.13 2fk7A1 TYR 59 HE2 0.02 -0.01 -0.05 -0.04 6.85 6.76 2fk7A1 ALA 60 H 0.09 0.68 0.02 -0.55 8.40 8.64 2fk7A1 ALA 60 HA 0.10 0.03 0.55 -0.75 4.34 4.26 2fk7A1 ALA 60 HB3 0.06 0.04 0.17 -0.04 1.41 1.64 2fk7A1 LYS 61 H -0.00 0.42 -0.24 -0.55 8.42 8.05 2fk7A1 LYS 61 HA -0.13 0.03 0.46 -0.75 4.32 3.93 2fk7A1 LYS 61 HB2 -0.07 -0.08 0.01 -0.04 1.87 1.69 2fk7A1 LYS 61 HB3 -0.06 0.08 0.18 -0.04 1.79 1.95 2fk7A1 LYS 61 HG2 -0.13 -0.10 -0.08 -0.04 1.46 1.12 2fk7A1 LYS 61 HG3 -0.09 0.41 -0.03 -0.04 1.46 1.71 2fk7A1 LYS 61 HD2 -0.04 0.02 -0.80 -0.04 1.69 0.83 2fk7A1 LYS 61 HD3 -0.04 -0.10 -0.19 -0.04 1.68 1.31 2fk7A1 LYS 61 HE2 -0.03 0.14 -0.04 -0.04 2.99 3.02 2fk7A1 LYS 61 HE3 -0.00 -0.12 -0.14 -0.04 2.99 2.69 2fk7A1 VAL 62 H -0.00 0.47 -0.14 -0.55 8.24 8.02 2fk7A1 VAL 62 HA -0.00 -0.02 0.40 -0.75 4.13 3.75 2fk7A1 VAL 62 HB 0.09 0.18 0.16 -0.04 2.12 2.50 2fk7A1 VAL 62 HG13 0.08 -0.01 -0.16 -0.04 0.97 0.83 2fk7A1 VAL 62 HG23 -0.01 0.02 -0.03 -0.04 0.95 0.88 2fk7A1 ASP 63 H 0.07 0.55 -0.17 -0.55 8.40 8.30 2fk7A1 ASP 63 HA 0.10 0.00 0.34 -0.75 4.63 4.33 2fk7A1 ASP 63 HB2 0.07 0.11 0.15 -0.04 2.71 3.00 2fk7A1 ASP 63 HB3 0.07 -0.01 -0.04 -0.04 2.70 2.68 2fk7A1 LEU 64 H -0.03 0.50 -0.23 -0.55 8.37 8.05 2fk7A1 LEU 64 HA -0.07 0.02 0.33 -0.75 4.35 3.87 2fk7A1 LEU 64 HB2 -0.43 0.02 0.08 -0.04 1.64 1.27 2fk7A1 LEU 64 HB3 -0.32 0.08 0.15 -0.04 1.64 1.51 2fk7A1 LEU 64 HG -0.26 0.02 -0.29 -0.04 1.64 1.06 2fk7A1 LEU 64 HD13 -0.31 -0.01 -0.03 -0.04 0.93 0.54 2fk7A1 LEU 64 HD23 -0.87 -0.02 -0.09 -0.04 0.89 -0.14 2fk7A1 ASN 65 H -0.08 0.47 -0.23 -0.55 8.53 8.14 2fk7A1 ASN 65 HA -0.07 0.03 0.39 -0.75 4.76 4.36 2fk7A1 ASN 65 HB2 -0.04 0.11 0.14 -0.04 2.88 3.05 2fk7A1 ASN 65 HB3 -0.04 -0.05 -0.06 -0.04 2.79 2.60 2fk7A1 ASN 65 HD21 -0.08 -0.11 -0.08 -0.04 7.03 6.71 2fk7A1 ASN 65 HD22 -0.09 0.44 -0.00 -0.04 7.74 8.05 2fk7A1 LEU 66 H 0.01 0.60 -0.03 -0.55 8.37 8.40 2fk7A1 LEU 66 HA -0.08 0.01 0.22 -0.75 4.35 3.74 2fk7A1 LEU 66 HB2 0.18 0.05 0.02 -0.04 1.64 1.85 2fk7A1 LEU 66 HB3 0.01 -0.01 -0.07 -0.04 1.64 1.53 2fk7A1 LEU 66 HG 0.05 0.17 0.02 -0.04 1.64 1.84 2fk7A1 LEU 66 HD13 0.20 0.00 -0.17 -0.04 0.93 0.92 2fk7A1 LEU 66 HD23 -0.01 -0.02 -0.12 -0.04 0.89 0.69 2fk7A1 ASP 67 H 0.03 0.62 -0.32 -0.55 8.40 8.18 2fk7A1 ASP 67 HA 0.08 0.00 0.35 -0.75 4.63 4.31 2fk7A1 ASP 67 HB2 0.03 0.16 0.06 -0.04 2.71 2.92 2fk7A1 ASP 67 HB3 0.05 -0.06 0.03 -0.04 2.70 2.67 2fk7A1 LYS 68 H -0.05 0.39 -0.49 -0.55 8.42 7.72 2fk7A1 LYS 68 HA -0.03 0.08 0.64 -0.75 4.32 4.26 2fk7A1 LYS 68 HB2 -0.05 0.21 0.07 -0.04 1.87 2.06 2fk7A1 LYS 68 HB3 -0.05 -0.06 0.02 -0.04 1.79 1.66 2fk7A1 LYS 68 HG2 -0.04 -0.05 0.00 -0.04 1.46 1.32 2fk7A1 LYS 68 HG3 -0.05 0.10 -0.01 -0.04 1.46 1.46 2fk7A1 LYS 68 HD2 -0.07 0.00 -0.04 -0.04 1.69 1.54 2fk7A1 LYS 68 HD3 -0.06 -0.06 -0.07 -0.04 1.68 1.44 2fk7A1 LYS 68 HE2 -0.09 0.04 -0.06 -0.04 2.99 2.84 2fk7A1 LYS 68 HE3 -0.10 -0.11 -0.09 -0.04 2.99 2.65 2fk7A1 LEU 69 H -0.12 0.43 -0.36 -0.55 8.37 7.77 2fk7A1 LEU 69 HA -0.07 0.15 0.21 -0.75 4.35 3.89 2fk7A1 LEU 69 HB2 -0.19 0.11 0.01 -0.04 1.64 1.53 2fk7A1 LEU 69 HB3 -0.12 -0.04 -0.00 -0.04 1.64 1.44 2fk7A1 LEU 69 HG -0.07 0.13 -0.16 -0.04 1.64 1.50 2fk7A1 LEU 69 HD13 -0.08 -0.06 -0.19 -0.04 0.93 0.56 2fk7A1 LEU 69 HD23 -0.04 0.00 -0.23 -0.04 0.89 0.58 2fk7A1 ASP 70 H -0.09 0.14 -0.33 -0.55 8.40 7.57 2fk7A1 ASP 70 HA -0.06 0.00 0.26 -0.75 4.63 4.08 2fk7A1 ASP 70 HB2 -0.03 0.02 -0.09 -0.04 2.71 2.57 2fk7A1 ASP 70 HB3 -0.04 0.18 -0.19 -0.04 2.70 2.61 2fk7A1 LEU 71 H -0.30 0.04 -0.16 -0.55 8.37 7.40 2fk7A1 LEU 71 HA -0.13 0.13 0.51 -0.75 4.35 4.10 2fk7A1 LEU 71 HB2 -0.97 -0.03 -0.00 -0.04 1.64 0.59 2fk7A1 LEU 71 HB3 -0.30 0.03 -0.18 -0.04 1.64 1.15 2fk7A1 LEU 71 HG -0.28 0.04 -0.23 -0.04 1.64 1.14 2fk7A1 LEU 71 HD13 -0.50 -0.01 -0.10 -0.04 0.93 0.27 2fk7A1 LEU 71 HD23 -0.11 -0.00 -0.15 -0.04 0.89 0.58 2fk7A1 LYS 72 H -0.02 0.15 0.17 -0.55 8.42 8.16 2fk7A1 LYS 72 HA 0.07 0.19 0.85 -0.75 4.32 4.68 2fk7A1 LYS 72 HB2 0.01 -0.05 0.03 -0.04 1.87 1.82 2fk7A1 LYS 72 HB3 0.02 0.03 0.07 -0.04 1.79 1.87 2fk7A1 LYS 72 HG2 0.03 0.02 -0.15 -0.04 1.46 1.32 2fk7A1 LYS 72 HG3 -0.00 0.07 -0.45 -0.04 1.46 1.03 2fk7A1 LYS 72 HD2 0.00 -0.02 -0.03 -0.04 1.69 1.60 2fk7A1 LYS 72 HD3 0.01 -0.04 -0.03 -0.04 1.68 1.58 2fk7A1 LYS 72 HE2 0.01 -0.04 -0.06 -0.04 2.99 2.86 2fk7A1 LYS 72 HE3 -0.00 0.11 -0.08 -0.04 2.99 2.98 2fk7A1 PRO 73 HA 0.06 0.32 0.42 -0.51 4.44 4.73 2fk7A1 PRO 73 HB2 0.03 -0.08 0.08 -0.04 2.28 2.27 2fk7A1 PRO 73 HB3 0.03 0.03 0.15 -0.04 2.02 2.19 2fk7A1 PRO 73 HG2 0.03 -0.05 0.09 -0.04 2.03 2.06 2fk7A1 PRO 73 HG3 0.05 0.12 0.06 -0.04 2.03 2.23 2fk7A1 PRO 73 HD2 0.04 0.02 0.20 -0.04 3.68 3.90 2fk7A1 PRO 73 HD3 0.08 0.15 0.23 -0.04 3.65 4.07 2fk7A1 GLY 74 H 0.03 0.56 0.47 -0.55 8.43 8.94 2fk7A1 GLY 74 HA2 0.02 -0.07 0.45 -0.51 4.01 3.90 2fk7A1 GLY 74 HA3 0.02 0.08 0.64 -0.51 4.01 4.23 2fk7A1 MET 75 H 0.02 0.46 -0.26 -0.55 8.47 8.14 2fk7A1 MET 75 HA 0.00 0.06 0.59 -0.75 4.52 4.42 2fk7A1 MET 75 HB2 -0.00 0.15 0.11 -0.04 2.15 2.36 2fk7A1 MET 75 HB3 -0.01 -0.05 -0.00 -0.04 2.03 1.93 2fk7A1 MET 75 HG2 -0.01 -0.03 0.07 -0.04 2.63 2.62 2fk7A1 MET 75 HG3 -0.00 0.06 0.00 -0.04 2.56 2.58 2fk7A1 MET 75 HE3 -0.01 0.01 0.03 -0.04 2.10 2.09 2fk7A1 THR 76 H 0.00 0.13 0.21 -0.55 8.28 8.07 2fk7A1 THR 76 HA 0.01 0.33 0.97 -0.75 4.39 4.94 2fk7A1 THR 76 HB 0.03 -0.06 0.15 -0.04 4.32 4.40 2fk7A1 THR 76 HG23 0.04 -0.00 -0.29 -0.04 1.22 0.92 2fk7A1 LEU 77 H 0.00 0.77 0.24 -0.55 8.37 8.83 2fk7A1 LEU 77 HA -0.03 0.19 0.98 -0.75 4.35 4.73 2fk7A1 LEU 77 HB2 -0.04 0.02 -0.06 -0.04 1.64 1.52 2fk7A1 LEU 77 HB3 -0.01 0.01 0.08 -0.04 1.64 1.68 2fk7A1 LEU 77 HG -0.04 -0.04 -0.52 -0.04 1.64 1.00 2fk7A1 LEU 77 HD13 -0.06 0.03 -0.28 -0.04 0.93 0.59 2fk7A1 LEU 77 HD23 -0.02 -0.03 -0.18 -0.04 0.89 0.63 2fk7A1 LEU 78 H -0.04 0.74 0.38 -0.55 8.37 8.90 2fk7A1 LEU 78 HA -0.11 0.28 1.05 -0.75 4.35 4.82 2fk7A1 LEU 78 HB2 -0.05 0.04 0.01 -0.04 1.64 1.59 2fk7A1 LEU 78 HB3 -0.07 0.04 0.19 -0.04 1.64 1.76 2fk7A1 LEU 78 HG -0.22 -0.11 -0.37 -0.04 1.64 0.90 2fk7A1 LEU 78 HD13 -0.68 0.03 -0.17 -0.04 0.93 0.08 2fk7A1 LEU 78 HD23 -0.10 0.01 -0.13 -0.04 0.89 0.63 2fk7A1 ASP 79 H -0.13 0.79 0.44 -0.55 8.40 8.96 2fk7A1 ASP 79 HA -0.09 0.33 1.05 -0.75 4.63 5.16 2fk7A1 ASP 79 HB2 -0.06 0.03 -0.07 -0.04 2.71 2.58 2fk7A1 ASP 79 HB3 -0.09 -0.10 0.21 -0.04 2.70 2.68 2fk7A1 ILE 80 H -0.12 0.71 0.29 -0.55 8.25 8.58 2fk7A1 ILE 80 HA -0.26 0.04 0.79 -0.75 4.18 4.00 2fk7A1 ILE 80 HB -0.08 0.02 0.18 -0.04 1.89 1.97 2fk7A1 ILE 80 HG12 -0.10 -0.00 -0.12 -0.04 1.49 1.23 2fk7A1 ILE 80 HG13 -0.11 0.05 -0.15 -0.04 1.21 0.96 2fk7A1 ILE 80 HG23 -0.09 -0.02 -0.06 -0.04 0.93 0.72 2fk7A1 ILE 80 HD13 0.00 0.02 -0.08 -0.04 0.88 0.78 2fk7A1 GLY 81 H -0.44 0.46 0.34 -0.55 8.43 8.23 2fk7A1 GLY 81 HA2 -0.23 -0.06 0.51 -0.51 4.01 3.72 2fk7A1 GLY 81 HA3 -0.25 0.05 0.77 -0.51 4.01 4.07 2fk7A1 CYS 82 H -0.15 0.47 0.16 -0.55 8.50 8.43 2fk7A1 CYS 82 HA -0.10 0.12 0.25 -0.75 4.58 4.10 2fk7A1 CYS 82 HB2 -0.07 -0.08 0.09 -0.04 2.97 2.87 2fk7A1 CYS 82 HB3 -0.10 0.13 0.12 -0.04 2.97 3.07 2fk7A1 GLY 83 H -0.19 -0.00 -0.39 -0.55 8.43 7.29 2fk7A1 GLY 83 HA2 -0.37 0.03 0.29 -0.51 4.01 3.45 2fk7A1 GLY 83 HA3 -0.13 0.02 0.27 -0.51 4.01 3.65 2fk7A1 TRP 84 H 0.10 0.13 0.20 -0.55 7.97 7.86 2fk7A1 TRP 84 HA -0.01 0.15 0.61 -0.75 4.62 4.61 2fk7A1 TRP 84 HB2 -0.01 0.06 0.08 -0.04 3.23 3.32 2fk7A1 TRP 84 HB3 -0.01 0.05 0.14 -0.04 3.23 3.37 2fk7A1 TRP 84 HD1 -0.00 0.12 0.07 -0.04 7.22 7.36 2fk7A1 TRP 84 HE1 -0.05 0.04 0.04 -0.04 10.20 10.19 2fk7A1 TRP 84 HE3 -0.00 0.04 0.00 -0.04 7.59 7.59 2fk7A1 TRP 84 HZ2 -0.03 -0.00 -0.00 -0.04 7.44 7.37 2fk7A1 TRP 84 HZ3 0.01 0.06 -0.25 -0.04 7.13 6.91 2fk7A1 TRP 84 HH2 0.01 -0.07 -0.07 -0.04 7.19 7.02 2fk7A1 GLY 85 H 0.04 0.33 -0.01 -0.55 8.43 8.24 2fk7A1 GLY 85 HA2 0.01 0.05 0.23 -0.51 4.01 3.79 2fk7A1 GLY 85 HA3 0.06 0.19 0.22 -0.51 4.01 3.97 2fk7A1 THR 86 H 0.10 0.06 -0.16 -0.55 8.28 7.73 2fk7A1 THR 86 HA 0.09 0.15 0.37 -0.75 4.39 4.25 2fk7A1 THR 86 HB 0.02 -0.06 0.04 -0.04 4.32 4.28 2fk7A1 THR 86 HG23 -0.06 0.01 -0.09 -0.04 1.22 1.04 2fk7A1 THR 87 H 0.03 0.08 -0.12 -0.55 8.28 7.72 2fk7A1 THR 87 HA 0.05 0.09 0.28 -0.75 4.39 4.06 2fk7A1 THR 87 HB -0.00 -0.02 -0.01 -0.04 4.32 4.25 2fk7A1 THR 87 HG23 0.01 0.03 -0.14 -0.04 1.22 1.07 2fk7A1 MET 88 H 0.02 0.04 -0.33 -0.55 8.47 7.66 2fk7A1 MET 88 HA 0.02 0.09 0.28 -0.75 4.52 4.15 2fk7A1 MET 88 HB2 0.01 0.05 0.02 -0.04 2.15 2.19 2fk7A1 MET 88 HB3 0.01 0.08 -0.11 -0.04 2.03 1.96 2fk7A1 MET 88 HG2 -0.02 0.08 -0.11 -0.04 2.63 2.54 2fk7A1 MET 88 HG3 -0.03 -0.10 -0.04 -0.04 2.56 2.34 2fk7A1 MET 88 HE3 -0.03 -0.00 -0.06 -0.04 2.10 1.97 2fk7A1 ARG 89 H 0.05 0.47 -0.17 -0.55 8.46 8.26 2fk7A1 ARG 89 HA 0.04 0.07 0.36 -0.75 4.34 4.05 2fk7A1 ARG 89 HB2 0.06 0.06 0.03 -0.04 1.90 2.00 2fk7A1 ARG 89 HB3 0.08 0.01 0.09 -0.04 1.80 1.95 2fk7A1 ARG 89 HG2 0.05 -0.04 -0.21 -0.04 1.67 1.43 2fk7A1 ARG 89 HG3 0.04 0.05 -0.03 -0.04 1.67 1.69 2fk7A1 ARG 89 HD2 0.06 0.03 -0.06 -0.04 3.22 3.21 2fk7A1 ARG 89 HD3 0.09 -0.06 -0.06 -0.04 3.22 3.15 2fk7A1 ARG 90 H 0.09 0.53 -0.19 -0.55 8.46 8.34 2fk7A1 ARG 90 HA 0.06 0.00 0.35 -0.75 4.34 4.00 2fk7A1 ARG 90 HB2 0.16 -0.04 0.05 -0.04 1.90 2.04 2fk7A1 ARG 90 HB3 0.11 0.08 0.08 -0.04 1.80 2.03 2fk7A1 ARG 90 HG2 0.13 0.02 -0.21 -0.04 1.67 1.56 2fk7A1 ARG 90 HG3 0.06 -0.02 -0.06 -0.04 1.67 1.61 2fk7A1 ARG 90 HD2 0.18 -0.02 -0.05 -0.04 3.22 3.29 2fk7A1 ARG 90 HD3 0.07 0.02 -0.07 -0.04 3.22 3.20 2fk7A1 ALA 91 H 0.09 0.54 -0.19 -0.55 8.40 8.30 2fk7A1 ALA 91 HA 0.34 0.01 0.36 -0.75 4.34 4.29 2fk7A1 ALA 91 HB3 0.08 0.03 -0.01 -0.04 1.41 1.47 2fk7A1 VAL 92 H 0.06 0.58 -0.13 -0.55 8.24 8.20 2fk7A1 VAL 92 HA 0.06 0.02 0.39 -0.75 4.13 3.85 2fk7A1 VAL 92 HB 0.03 0.06 0.12 -0.04 2.12 2.29 2fk7A1 VAL 92 HG13 0.02 0.01 -0.14 -0.04 0.97 0.82 2fk7A1 VAL 92 HG23 0.03 0.09 -0.03 -0.04 0.95 1.00 2fk7A1 GLU 93 H 0.03 0.55 -0.15 -0.55 8.60 8.49 2fk7A1 GLU 93 HA -0.01 0.03 0.21 -0.75 4.29 3.77 2fk7A1 GLU 93 HB2 -0.01 0.05 0.11 -0.04 2.09 2.20 2fk7A1 GLU 93 HB3 -0.03 -0.05 -0.06 -0.04 1.99 1.81 2fk7A1 GLU 93 HG2 -0.01 -0.03 -0.00 -0.04 2.34 2.26 2fk7A1 GLU 93 HG3 0.01 0.06 0.02 -0.04 2.34 2.40 2fk7A1 ARG 94 H -0.04 0.56 -0.13 -0.55 8.46 8.30 2fk7A1 ARG 94 HA -0.22 0.04 0.48 -0.75 4.34 3.88 2fk7A1 ARG 94 HB2 -0.23 0.14 0.09 -0.04 1.90 1.86 2fk7A1 ARG 94 HB3 -0.89 -0.04 -0.05 -0.04 1.80 0.78 2fk7A1 ARG 94 HG2 -0.18 -0.03 -0.01 -0.04 1.67 1.41 2fk7A1 ARG 94 HG3 -0.09 0.00 0.02 -0.04 1.67 1.57 2fk7A1 ARG 94 HD2 -0.05 -0.08 -0.04 -0.04 3.22 3.01 2fk7A1 ARG 94 HD3 -0.02 -0.02 -0.09 -0.04 3.22 3.05 2fk7A1 PHE 95 H 0.05 0.48 -0.16 -0.55 8.34 8.15 2fk7A1 PHE 95 HA 0.00 0.21 0.79 -0.75 4.62 4.87 2fk7A1 PHE 95 HB2 0.00 0.09 -0.05 -0.04 3.15 3.15 2fk7A1 PHE 95 HB3 0.00 -0.03 -0.19 -0.04 3.06 2.80 2fk7A1 PHE 95 HD2 0.00 0.05 -0.06 -0.04 7.28 7.22 2fk7A1 PHE 95 HE2 0.00 -0.04 -0.11 -0.04 7.38 7.18 2fk7A1 PHE 95 HZ 0.00 -0.04 -0.17 -0.04 7.32 7.07 2fk7A1 ASP 96 H 0.05 0.44 -0.04 -0.55 8.40 8.31 2fk7A1 ASP 96 HA 0.04 0.11 0.37 -0.75 4.63 4.40 2fk7A1 ASP 96 HB2 0.02 0.03 -0.13 -0.04 2.71 2.59 2fk7A1 ASP 96 HB3 0.05 0.12 0.02 -0.04 2.70 2.85 2fk7A1 VAL 97 H 0.09 0.15 -0.12 -0.55 8.24 7.81 2fk7A1 VAL 97 HA 0.04 0.01 0.97 -0.75 4.13 4.40 2fk7A1 VAL 97 HB 0.03 0.20 -0.04 -0.04 2.12 2.27 2fk7A1 VAL 97 HG13 0.06 0.02 -0.31 -0.04 0.97 0.70 2fk7A1 VAL 97 HG23 0.07 -0.00 -0.33 -0.04 0.95 0.65 2fk7A1 ASN 98 H 0.02 0.45 0.22 -0.55 8.53 8.67 2fk7A1 ASN 98 HA 0.02 0.20 0.78 -0.75 4.76 5.01 2fk7A1 ASN 98 HB2 0.02 -0.05 0.07 -0.04 2.88 2.89 2fk7A1 ASN 98 HB3 0.02 0.04 0.12 -0.04 2.79 2.93 2fk7A1 ASN 98 HD21 0.02 -0.00 0.03 -0.04 7.03 7.04 2fk7A1 ASN 98 HD22 0.02 0.09 -0.20 -0.04 7.74 7.60 2fk7A1 VAL 99 H 0.01 0.64 0.36 -0.55 8.24 8.70 2fk7A1 VAL 99 HA -0.00 0.27 1.03 -0.75 4.13 4.67 2fk7A1 VAL 99 HB -0.01 -0.06 -0.01 -0.04 2.12 2.00 2fk7A1 VAL 99 HG13 0.02 0.03 -0.27 -0.04 0.97 0.71 2fk7A1 VAL 99 HG23 0.01 -0.02 -0.03 -0.04 0.95 0.86 2fk7A1 ILE 100 H -0.03 0.80 0.38 -0.55 8.25 8.84 2fk7A1 ILE 100 HA -0.02 0.25 0.78 -0.75 4.18 4.44 2fk7A1 ILE 100 HB -0.08 -0.03 0.05 -0.04 1.89 1.80 2fk7A1 ILE 100 HG12 0.06 0.02 -0.05 -0.04 1.49 1.48 2fk7A1 ILE 100 HG13 0.04 -0.06 -0.50 -0.04 1.21 0.65 2fk7A1 ILE 100 HG23 -0.07 -0.02 -0.19 -0.04 0.93 0.61 2fk7A1 ILE 100 HD13 0.22 0.01 -0.14 -0.04 0.88 0.93 2fk7A1 GLY 101 H -0.06 0.61 0.37 -0.55 8.43 8.81 2fk7A1 GLY 101 HA2 -0.12 0.25 1.13 -0.51 4.01 4.76 2fk7A1 GLY 101 HA3 -0.08 -0.05 0.39 -0.51 4.01 3.76 2fk7A1 LEU 102 H -0.16 0.64 0.45 -0.55 8.37 8.75 2fk7A1 LEU 102 HA -0.04 0.32 1.09 -0.75 4.35 4.97 2fk7A1 LEU 102 HB2 -0.22 -0.28 0.24 -0.04 1.64 1.35 2fk7A1 LEU 102 HB3 0.04 0.27 -0.01 -0.04 1.64 1.90 2fk7A1 LEU 102 HG -0.32 0.01 -0.19 -0.04 1.64 1.10 2fk7A1 LEU 102 HD13 -0.11 0.01 -0.26 -0.04 0.93 0.53 2fk7A1 LEU 102 HD23 -0.28 0.05 -0.29 -0.04 0.89 0.32 2fk7A1 THR 103 H 0.03 0.77 0.43 -0.55 8.28 8.97 2fk7A1 THR 103 HA 0.13 0.03 0.79 -0.75 4.39 4.58 2fk7A1 THR 103 HB -0.10 -0.04 -0.08 -0.04 4.32 4.07 2fk7A1 THR 103 HG23 -0.00 0.04 -0.18 -0.04 1.22 1.04 2fk7A1 LEU 104 H -0.03 0.09 0.15 -0.55 8.37 8.04 2fk7A1 LEU 104 HA -0.08 0.21 0.75 -0.75 4.35 4.48 2fk7A1 LEU 104 HB2 -0.19 -0.03 0.05 -0.04 1.64 1.44 2fk7A1 LEU 104 HB3 -0.13 0.06 0.09 -0.04 1.64 1.61 2fk7A1 LEU 104 HG -0.35 -0.06 -0.33 -0.04 1.64 0.87 2fk7A1 LEU 104 HD13 -0.44 -0.00 -0.09 -0.04 0.93 0.36 2fk7A1 LEU 104 HD23 -0.14 0.01 -0.17 -0.04 0.89 0.54 2fk7A1 SER 105 H -0.11 -0.01 -0.01 -0.55 8.46 7.79 2fk7A1 SER 105 HA -0.06 0.20 0.75 -0.75 4.49 4.63 2fk7A1 SER 105 HB2 -0.15 0.14 0.10 -0.04 3.95 3.99 2fk7A1 SER 105 HB3 -0.25 0.00 0.16 -0.04 3.93 3.81 2fk7A1 LYS 106 H -0.02 0.26 0.19 -0.55 8.42 8.29 2fk7A1 LYS 106 HA 0.00 0.14 0.40 -0.75 4.32 4.11 2fk7A1 ASN 107 H 0.02 0.09 -0.06 -0.55 8.53 8.04 2fk7A1 ASN 107 HA 0.12 0.13 0.46 -0.75 4.76 4.72 2fk7A1 ASN 107 HB2 0.12 -0.06 0.09 -0.04 2.88 2.99 2fk7A1 ASN 107 HB3 0.38 0.07 -0.01 -0.04 2.79 3.19 2fk7A1 ASN 107 HD21 0.12 0.05 0.05 -0.04 7.03 7.20 2fk7A1 ASN 107 HD22 0.21 -0.03 0.06 -0.04 7.74 7.93 2fk7A1 GLN 108 H -0.22 -0.00 -0.31 -0.55 8.47 7.39 2fk7A1 GLN 108 HA -0.48 0.08 0.38 -0.75 4.36 3.59 2fk7A1 GLN 108 HB2 -0.37 -0.07 0.10 -0.04 2.15 1.77 2fk7A1 GLN 108 HB3 -0.49 0.32 0.02 -0.04 2.02 1.82 2fk7A1 GLN 108 HG2 -2.72 0.05 -0.13 -0.04 2.40 -0.45 2fk7A1 GLN 108 HG3 -1.08 -0.09 -0.01 -0.04 2.39 1.17 2fk7A1 GLN 108 HE21 -0.43 0.02 0.04 -0.04 6.97 6.55 2fk7A1 GLN 108 HE22 -1.13 0.07 -0.03 -0.04 7.69 6.56 2fk7A1 HIS 109 H 0.02 0.47 -0.23 -0.55 8.41 8.13 2fk7A1 HIS 109 HA -0.05 0.00 0.24 -0.75 4.63 4.07 2fk7A1 HIS 109 HB2 -0.05 0.00 -0.05 -0.04 3.26 3.13 2fk7A1 HIS 109 HB3 -0.03 0.11 0.13 -0.04 3.20 3.37 2fk7A1 HIS 109 HD2 0.00 0.01 -0.21 -0.04 6.97 6.73 2fk7A1 HIS 109 HE1 -0.00 0.35 -0.02 -0.04 7.75 8.03 2fk7A1 ALA 110 H 0.13 0.55 -0.14 -0.55 8.40 8.40 2fk7A1 ALA 110 HA 0.04 0.05 0.42 -0.75 4.34 4.09 2fk7A1 ALA 110 HB3 0.10 0.02 0.11 -0.04 1.41 1.59 2fk7A1 ARG 111 H 0.13 0.50 -0.18 -0.55 8.46 8.36 2fk7A1 ARG 111 HA 0.11 0.02 0.41 -0.75 4.34 4.12 2fk7A1 ARG 111 HB2 0.35 -0.02 0.10 -0.04 1.90 2.29 2fk7A1 ARG 111 HB3 0.41 0.05 0.18 -0.04 1.80 2.40 2fk7A1 ARG 111 HG2 0.44 -0.04 0.02 -0.04 1.67 2.05 2fk7A1 ARG 111 HG3 0.26 0.11 -0.14 -0.04 1.67 1.86 2fk7A1 ARG 111 HD2 0.09 -0.08 0.11 -0.04 3.22 3.30 2fk7A1 ARG 111 HD3 0.09 -0.02 0.03 -0.04 3.22 3.28 2fk7A1 CYS 112 H 0.01 0.64 -0.17 -0.55 8.50 8.43 2fk7A1 CYS 112 HA 0.03 0.03 0.20 -0.75 4.58 4.09 2fk7A1 CYS 112 HB2 -0.12 0.10 0.09 -0.04 2.97 3.00 2fk7A1 CYS 112 HB3 -0.07 -0.06 -0.12 -0.04 2.97 2.68 2fk7A1 GLU 113 H -0.12 0.52 -0.29 -0.55 8.60 8.17 2fk7A1 GLU 113 HA -0.08 0.01 0.30 -0.75 4.29 3.77 2fk7A1 GLU 113 HB2 -0.09 0.11 0.13 -0.04 2.09 2.20 2fk7A1 GLU 113 HB3 -0.05 -0.02 0.01 -0.04 1.99 1.88 2fk7A1 GLU 113 HG2 -0.18 -0.07 0.03 -0.04 2.34 2.07 2fk7A1 GLU 113 HG3 -0.54 0.14 0.04 -0.04 2.34 1.93 2fk7A1 GLN 114 H 0.00 0.37 -0.31 -0.55 8.47 7.99 2fk7A1 GLN 114 HA 0.01 0.06 0.45 -0.75 4.36 4.13 2fk7A1 GLN 114 HB2 0.02 0.02 0.10 -0.04 2.15 2.26 2fk7A1 GLN 114 HB3 0.03 0.06 0.13 -0.04 2.02 2.20 2fk7A1 GLN 114 HG2 0.02 0.00 -0.12 -0.04 2.40 2.26 2fk7A1 GLN 114 HG3 0.02 -0.02 0.02 -0.04 2.39 2.37 2fk7A1 GLN 114 HE21 0.01 -0.03 -0.03 -0.04 6.97 6.88 2fk7A1 GLN 114 HE22 0.01 0.01 -0.04 -0.04 7.69 7.64 2fk7A1 VAL 115 H 0.03 0.82 0.08 -0.55 8.24 8.63 2fk7A1 VAL 115 HA 0.03 -0.01 0.46 -0.75 4.13 3.86 2fk7A1 VAL 115 HB 0.04 0.05 0.14 -0.04 2.12 2.32 2fk7A1 VAL 115 HG13 0.05 -0.02 -0.15 -0.04 0.97 0.81 2fk7A1 VAL 115 HG23 0.08 0.05 0.03 -0.04 0.95 1.06 2fk7A1 LEU 116 H 0.00 0.65 -0.27 -0.55 8.37 8.20 2fk7A1 LEU 116 HA 0.01 0.01 0.27 -0.75 4.35 3.89 2fk7A1 LEU 116 HB2 -0.01 0.07 -0.01 -0.04 1.64 1.65 2fk7A1 LEU 116 HB3 0.00 -0.01 -0.05 -0.04 1.64 1.54 2fk7A1 LEU 116 HG -0.00 0.15 -0.00 -0.04 1.64 1.75 2fk7A1 LEU 116 HD13 -0.02 -0.05 -0.24 -0.04 0.93 0.58 2fk7A1 LEU 116 HD23 0.01 -0.03 -0.16 -0.04 0.89 0.66 2fk7A1 ALA 117 H 0.00 0.53 -0.09 -0.55 8.40 8.29 2fk7A1 ALA 117 HA 0.01 0.06 0.53 -0.75 4.34 4.18 2fk7A1 ALA 117 HB3 0.00 -0.03 0.13 -0.04 1.41 1.47 2fk7A1 SER 118 H 0.01 0.46 -0.44 -0.55 8.46 7.94 2fk7A1 SER 118 HA 0.01 -0.05 0.32 -0.75 4.49 4.01 2fk7A1 SER 118 HB2 0.02 0.30 0.15 -0.04 3.95 4.38 2fk7A1 SER 118 HB3 0.01 -0.15 0.00 -0.04 3.93 3.76 2fk7A1 ILE 119 H 0.01 0.31 -0.54 -0.55 8.25 7.48 2fk7A1 ILE 119 HA 0.01 -0.05 0.47 -0.75 4.18 3.86 2fk7A1 ILE 119 HB 0.01 0.20 0.07 -0.04 1.89 2.13 2fk7A1 ILE 119 HG12 0.02 -0.07 -0.02 -0.04 1.49 1.37 2fk7A1 ILE 119 HG13 0.02 0.14 0.03 -0.04 1.21 1.36 2fk7A1 ILE 119 HG23 0.01 -0.04 -0.32 -0.04 0.93 0.53 2fk7A1 ILE 119 HD13 0.02 -0.04 -0.02 -0.04 0.88 0.80 2fk7A1 ASP 120 H 0.00 0.09 0.14 -0.55 8.40 8.09 2fk7A1 ASP 120 HA 0.00 0.15 0.62 -0.75 4.63 4.64 2fk7A1 ASP 120 HB2 0.00 0.02 0.13 -0.04 2.71 2.83 2fk7A1 ASP 120 HB3 -0.00 -0.04 0.23 -0.04 2.70 2.85 2fk7A1 THR 121 H 0.01 0.50 0.27 -0.55 8.28 8.50 2fk7A1 THR 121 HA 0.01 0.07 0.68 -0.75 4.39 4.40 2fk7A1 THR 121 HB 0.01 0.06 -0.35 -0.04 4.32 4.00 2fk7A1 THR 121 HG23 0.01 0.08 -0.17 -0.04 1.22 1.10 2fk7A1 ASN 122 H 0.01 0.13 0.13 -0.55 8.53 8.25 2fk7A1 ASN 122 HA 0.01 0.21 0.87 -0.75 4.76 5.10 2fk7A1 ASN 122 HB2 0.01 -0.01 0.07 -0.04 2.88 2.91 2fk7A1 ASN 122 HB3 0.01 -0.00 0.12 -0.04 2.79 2.87 2fk7A1 ASN 122 HD21 0.00 -0.01 -0.01 -0.04 7.03 6.97 2fk7A1 ASN 122 HD22 0.01 0.00 0.01 -0.04 7.74 7.72 2fk7A1 ARG 123 H 0.01 -0.01 -0.18 -0.55 8.46 7.72 2fk7A1 ARG 123 HA 0.02 0.02 0.26 -0.75 4.34 3.87 2fk7A1 ARG 123 HB2 0.02 -0.02 -0.05 -0.04 1.90 1.80 2fk7A1 ARG 123 HB3 0.02 0.11 -0.14 -0.04 1.80 1.75 2fk7A1 ARG 123 HG2 0.02 -0.11 -0.09 -0.04 1.67 1.46 2fk7A1 ARG 123 HG3 0.03 0.11 -0.47 -0.04 1.67 1.30 2fk7A1 ARG 123 HD2 0.02 -0.03 -0.16 -0.04 3.22 3.00 2fk7A1 ARG 123 HD3 0.02 -0.04 -0.13 -0.04 3.22 3.02 2fk7A1 SER 124 H 0.02 0.06 0.18 -0.55 8.46 8.17 2fk7A1 SER 124 HA 0.01 0.13 0.59 -0.75 4.49 4.47 2fk7A1 SER 124 HB2 0.02 0.03 0.10 -0.04 3.95 4.06 2fk7A1 SER 124 HB3 0.02 -0.04 0.18 -0.04 3.93 4.05 2fk7A1 ARG 125 H 0.01 0.25 0.21 -0.55 8.46 8.38 2fk7A1 ARG 125 HA 0.01 0.17 0.94 -0.75 4.34 4.71 2fk7A1 ARG 125 HB2 0.01 0.03 0.06 -0.04 1.90 1.95 2fk7A1 ARG 125 HB3 -0.00 -0.08 -0.09 -0.04 1.80 1.59 2fk7A1 ARG 125 HG2 0.01 -0.08 -0.11 -0.04 1.67 1.45 2fk7A1 ARG 125 HG3 0.01 0.06 -0.62 -0.04 1.67 1.07 2fk7A1 ARG 125 HD2 0.01 0.04 -0.09 -0.04 3.22 3.14 2fk7A1 ARG 125 HD3 0.01 -0.05 -0.07 -0.04 3.22 3.07 2fk7A1 GLN 126 H -0.00 0.43 0.21 -0.55 8.47 8.57 2fk7A1 GLN 126 HA 0.01 0.14 0.88 -0.75 4.36 4.63 2fk7A1 GLN 126 HB2 0.03 0.03 -0.24 -0.04 2.15 1.93 2fk7A1 GLN 126 HB3 0.04 -0.02 0.08 -0.04 2.02 2.07 2fk7A1 GLN 126 HG2 0.06 -0.02 -0.19 -0.04 2.40 2.21 2fk7A1 GLN 126 HG3 0.05 0.02 0.04 -0.04 2.39 2.46 2fk7A1 GLN 126 HE21 0.06 0.00 -0.04 -0.04 6.97 6.95 2fk7A1 GLN 126 HE22 0.06 -0.00 -0.02 -0.04 7.69 7.68 2fk7A1 VAL 127 H -0.01 0.28 0.18 -0.55 8.24 8.14 2fk7A1 VAL 127 HA -0.02 0.20 0.82 -0.75 4.13 4.38 2fk7A1 VAL 127 HB -0.07 -0.01 0.07 -0.04 2.12 2.08 2fk7A1 VAL 127 HG13 -0.16 -0.01 -0.24 -0.04 0.97 0.52 2fk7A1 VAL 127 HG23 -0.08 -0.02 -0.14 -0.04 0.95 0.67 2fk7A1 LEU 128 H 0.04 0.74 0.35 -0.55 8.37 8.96 2fk7A1 LEU 128 HA 0.14 0.14 0.89 -0.75 4.35 4.77 2fk7A1 LEU 128 HB2 0.05 -0.00 0.06 -0.04 1.64 1.71 2fk7A1 LEU 128 HB3 0.08 0.03 -0.09 -0.04 1.64 1.62 2fk7A1 LEU 128 HG 0.08 -0.08 -0.33 -0.04 1.64 1.26 2fk7A1 LEU 128 HD13 0.21 0.01 -0.13 -0.04 0.93 0.98 2fk7A1 LEU 128 HD23 0.09 0.04 -0.06 -0.04 0.89 0.92 2fk7A1 LEU 129 H -0.05 0.19 0.10 -0.55 8.37 8.06 2fk7A1 LEU 129 HA -0.01 0.28 0.82 -0.75 4.35 4.68 2fk7A1 LEU 129 HB2 -0.47 -0.03 0.08 -0.04 1.64 1.18 2fk7A1 LEU 129 HB3 -0.18 0.02 0.23 -0.04 1.64 1.66 2fk7A1 LEU 129 HG -0.09 0.04 -0.11 -0.04 1.64 1.44 2fk7A1 LEU 129 HD13 -0.08 0.04 -0.38 -0.04 0.93 0.48 2fk7A1 LEU 129 HD23 -0.14 -0.01 -0.01 -0.04 0.89 0.69 2fk7A1 GLN 130 H 0.02 0.47 0.17 -0.55 8.47 8.59 2fk7A1 GLN 130 HA -0.04 0.02 0.44 -0.75 4.36 4.02 2fk7A1 GLN 130 HB2 -0.00 -0.05 0.05 -0.04 2.15 2.11 2fk7A1 GLN 130 HB3 0.00 0.21 -0.35 -0.04 2.02 1.84 2fk7A1 GLN 130 HG2 0.06 -0.13 -0.41 -0.04 2.40 1.88 2fk7A1 GLN 130 HG3 0.08 0.09 -0.52 -0.04 2.39 2.01 2fk7A1 GLN 130 HE21 0.22 0.27 -0.39 -0.04 6.97 7.03 2fk7A1 GLN 130 HE22 0.22 0.08 -0.45 -0.04 7.69 7.50 2fk7A1 GLY 131 H -0.08 0.13 0.09 -0.55 8.43 8.02 2fk7A1 GLY 131 HA2 0.12 0.12 0.58 -0.51 4.01 4.32 2fk7A1 GLY 131 HA3 -0.20 0.05 0.31 -0.51 4.01 3.66 2fk7A1 TRP 132 H 0.08 0.18 0.12 -0.55 7.97 7.81 2fk7A1 TRP 132 HA 0.12 0.14 0.33 -0.75 4.62 4.45 2fk7A1 TRP 132 HB2 0.11 0.14 0.03 -0.04 3.23 3.47 2fk7A1 TRP 132 HB3 0.10 -0.04 0.06 -0.04 3.23 3.32 2fk7A1 TRP 132 HD1 0.18 -0.10 0.06 -0.04 7.22 7.32 2fk7A1 TRP 132 HE1 -0.06 0.36 0.02 -0.04 10.20 10.49 2fk7A1 TRP 132 HE3 0.07 0.08 -0.39 -0.04 7.59 7.32 2fk7A1 TRP 132 HZ2 -0.03 0.00 0.01 -0.04 7.44 7.38 2fk7A1 TRP 132 HZ3 0.04 0.09 -0.24 -0.04 7.13 6.99 2fk7A1 TRP 132 HH2 0.04 -0.03 -0.09 -0.04 7.19 7.07 2fk7A1 GLU 133 H -0.94 -0.01 -0.26 -0.55 8.60 6.84 2fk7A1 GLU 133 HA -0.50 0.13 0.27 -0.75 4.29 3.43 2fk7A1 GLU 133 HB2 -0.46 -0.07 -0.01 -0.04 2.09 1.51 2fk7A1 GLU 133 HB3 -0.37 0.06 -0.02 -0.04 1.99 1.62 2fk7A1 GLU 133 HG2 -0.60 0.03 0.00 -0.04 2.34 1.74 2fk7A1 GLU 133 HG3 -1.84 0.04 0.01 -0.04 2.34 0.51 2fk7A1 ASP 134 H -0.11 0.08 -0.48 -0.55 8.40 7.34 2fk7A1 ASP 134 HA -0.02 0.15 0.51 -0.75 4.63 4.51 2fk7A1 ASP 134 HB2 -0.04 -0.09 0.02 -0.04 2.71 2.56 2fk7A1 ASP 134 HB3 0.01 0.02 0.07 -0.04 2.70 2.75 2fk7A1 PHE 135 H 0.21 0.54 -0.52 -0.55 8.34 8.01 2fk7A1 PHE 135 HA 0.03 0.10 0.92 -0.75 4.62 4.92 2fk7A1 PHE 135 HB2 0.08 -0.05 -0.10 -0.04 3.15 3.04 2fk7A1 PHE 135 HB3 0.13 0.08 0.06 -0.04 3.06 3.30 2fk7A1 PHE 135 HD2 0.04 0.04 -0.17 -0.04 7.28 7.15 2fk7A1 PHE 135 HE2 0.01 0.09 -0.12 -0.04 7.38 7.33 2fk7A1 PHE 135 HZ 0.01 0.05 -0.14 -0.04 7.32 7.20 2fk7A1 ALA 136 H -0.66 0.11 -0.03 -0.55 8.40 7.28 2fk7A1 ALA 136 HA -0.15 0.23 0.73 -0.75 4.34 4.39 2fk7A1 ALA 136 HB3 -0.10 0.01 -0.08 -0.04 1.41 1.20 2fk7A1 GLU 137 H -1.28 0.13 -0.02 -0.55 8.60 6.89 2fk7A1 GLU 137 HA -0.22 0.21 0.94 -0.75 4.29 4.47 2fk7A1 GLU 137 HB2 -0.32 -0.05 -0.02 -0.04 2.09 1.66 2fk7A1 GLU 137 HB3 -0.09 0.10 0.02 -0.04 1.99 1.98 2fk7A1 GLU 137 HG2 -0.53 -0.14 -0.10 -0.04 2.34 1.53 2fk7A1 GLU 137 HG3 -0.08 -0.01 -0.05 -0.04 2.34 2.16 2fk7A1 PRO 138 HA -0.01 0.32 0.54 -0.51 4.44 4.79 2fk7A1 PRO 138 HB2 -0.00 -0.06 -0.01 -0.04 2.28 2.17 2fk7A1 PRO 138 HB3 -0.02 0.08 0.08 -0.04 2.02 2.11 2fk7A1 PRO 138 HG2 -0.02 -0.04 0.09 -0.04 2.03 2.02 2fk7A1 PRO 138 HG3 -0.03 0.05 0.08 -0.04 2.03 2.09 2fk7A1 PRO 138 HD2 -0.05 0.01 0.22 -0.04 3.68 3.81 2fk7A1 PRO 138 HD3 -0.07 0.18 0.19 -0.04 3.65 3.90 2fk7A1 VAL 139 H 0.04 0.73 0.34 -0.55 8.24 8.79 2fk7A1 VAL 139 HA 0.05 0.06 0.64 -0.75 4.13 4.13 2fk7A1 VAL 139 HB 0.05 -0.03 0.04 -0.04 2.12 2.14 2fk7A1 VAL 139 HG13 0.21 0.01 -0.30 -0.04 0.97 0.85 2fk7A1 VAL 139 HG23 0.08 0.00 -0.21 -0.04 0.95 0.78 2fk7A1 ASP 140 H 0.01 0.47 0.38 -0.55 8.40 8.71 2fk7A1 ASP 140 HA -0.01 0.13 0.79 -0.75 4.63 4.78 2fk7A1 ASP 140 HB2 -0.01 0.02 0.19 -0.04 2.71 2.86 2fk7A1 ASP 140 HB3 -0.02 0.05 0.06 -0.04 2.70 2.75 2fk7A1 ARG 141 H -0.02 0.29 0.35 -0.55 8.46 8.53 2fk7A1 ARG 141 HA -0.02 0.25 0.92 -0.75 4.34 4.74 2fk7A1 ARG 141 HB2 -0.06 -0.17 -0.03 -0.04 1.90 1.60 2fk7A1 ARG 141 HB3 -0.06 0.08 0.14 -0.04 1.80 1.92 2fk7A1 ARG 141 HG2 -0.04 -0.24 -0.48 -0.04 1.67 0.86 2fk7A1 ARG 141 HG3 -0.08 -0.00 -0.14 -0.04 1.67 1.40 2fk7A1 ARG 141 HD2 -0.04 0.01 0.17 -0.04 3.22 3.32 2fk7A1 ARG 141 HD3 -0.03 0.15 0.25 -0.04 3.22 3.55 2fk7A1 ILE 142 H -0.03 0.60 0.47 -0.55 8.25 8.74 2fk7A1 ILE 142 HA -0.05 0.25 1.20 -0.75 4.18 4.82 2fk7A1 ILE 142 HB -0.06 -0.03 0.07 -0.04 1.89 1.82 2fk7A1 ILE 142 HG12 -0.03 -0.00 -0.15 -0.04 1.49 1.26 2fk7A1 ILE 142 HG13 -0.02 -0.03 -0.54 -0.04 1.21 0.58 2fk7A1 ILE 142 HG23 -0.09 -0.03 -0.15 -0.04 0.93 0.63 2fk7A1 ILE 142 HD13 -0.07 0.01 -0.11 -0.04 0.88 0.67 2fk7A1 VAL 143 H -0.06 0.72 0.44 -0.55 8.24 8.79 2fk7A1 VAL 143 HA -0.03 0.21 1.00 -0.75 4.13 4.56 2fk7A1 VAL 143 HB -0.05 0.07 -0.10 -0.04 2.12 2.01 2fk7A1 VAL 143 HG13 -0.05 -0.01 -0.07 -0.04 0.97 0.81 2fk7A1 VAL 143 HG23 -0.03 -0.02 -0.10 -0.04 0.95 0.75 2fk7A1 SER 144 H -0.02 0.50 0.21 -0.55 8.46 8.61 2fk7A1 SER 144 HA -0.07 0.18 0.75 -0.75 4.49 4.59 2fk7A1 SER 144 HB2 -0.02 0.03 -0.05 -0.04 3.95 3.87 2fk7A1 SER 144 HB3 -0.01 -0.01 0.22 -0.04 3.93 4.09 2fk7A1 ILE 145 H -0.06 0.30 0.06 -0.55 8.25 7.99 2fk7A1 ILE 145 HA -0.01 0.09 0.95 -0.75 4.18 4.45 2fk7A1 ILE 145 HB -0.02 -0.00 0.11 -0.04 1.89 1.94 2fk7A1 ILE 145 HG12 -0.03 0.05 -0.10 -0.04 1.49 1.37 2fk7A1 ILE 145 HG13 -0.03 -0.08 -0.31 -0.04 1.21 0.75 2fk7A1 ILE 145 HG23 0.01 0.00 -0.16 -0.04 0.93 0.75 2fk7A1 ILE 145 HD13 -0.02 0.01 -0.09 -0.04 0.88 0.73 2fk7A1 GLU 146 H 0.01 0.80 0.35 -0.55 8.60 9.21 2fk7A1 GLU 146 HA 0.03 0.06 0.45 -0.75 4.29 4.08 2fk7A1 GLU 146 HB2 0.10 0.07 -0.09 -0.04 2.09 2.14 2fk7A1 GLU 146 HB3 0.12 0.00 0.24 -0.04 1.99 2.31 2fk7A1 GLU 146 HG2 0.13 -0.07 -0.03 -0.04 2.34 2.33 2fk7A1 GLU 146 HG3 0.07 -0.01 -0.12 -0.04 2.34 2.24 2fk7A1 ALA 147 H -0.07 0.18 -0.19 -0.55 8.40 7.78 2fk7A1 ALA 147 HA -0.24 0.10 0.50 -0.75 4.34 3.94 2fk7A1 ALA 147 HB3 -0.12 0.03 0.12 -0.04 1.41 1.40 2fk7A1 PHE 148 H -0.43 0.47 0.29 -0.55 8.34 8.12 2fk7A1 PHE 148 HA -0.17 0.10 0.36 -0.75 4.62 4.15 2fk7A1 PHE 148 HB2 -0.50 0.05 0.07 -0.04 3.15 2.72 2fk7A1 PHE 148 HB3 -0.65 0.02 0.10 -0.04 3.06 2.48 2fk7A1 PHE 148 HD2 -0.22 0.12 0.02 -0.04 7.28 7.16 2fk7A1 PHE 148 HE2 -0.01 0.03 0.08 -0.04 7.38 7.44 2fk7A1 PHE 148 HZ 0.18 -0.03 0.06 -0.04 7.32 7.49 2fk7A1 GLU 149 H -0.60 0.01 -0.14 -0.55 8.60 7.32 2fk7A1 GLU 149 HA -0.01 0.23 0.47 -0.75 4.29 4.23 2fk7A1 HIS 150 H 0.02 0.21 -0.56 -0.55 8.41 7.53 2fk7A1 HIS 150 HA 0.03 0.19 0.73 -0.75 4.63 4.82 2fk7A1 HIS 150 HB2 -0.02 0.11 0.03 -0.04 3.26 3.34 2fk7A1 HIS 150 HB3 0.32 -0.02 0.04 -0.04 3.20 3.49 2fk7A1 HIS 150 HD2 -0.18 -0.07 -0.08 -0.04 6.97 6.60 2fk7A1 HIS 150 HE1 -0.03 0.35 -0.05 -0.04 7.75 7.98 2fk7A1 GLU 154 HA 0.01 0.02 0.24 -0.75 4.29 3.81 2fk7A1 ASN 155 H -0.24 0.20 0.61 -0.55 8.53 8.55 2fk7A1 ASN 155 HA 0.07 0.18 0.83 -0.75 4.76 5.09 2fk7A1 ASN 155 HB2 -0.03 0.06 0.42 -0.04 2.88 3.29 2fk7A1 ASN 155 HB3 0.37 -0.01 0.18 -0.04 2.79 3.29 2fk7A1 ASN 155 HD21 -0.13 0.01 0.00 -0.04 7.03 6.87 2fk7A1 ASN 155 HD22 0.03 0.03 0.03 -0.04 7.74 7.79 2fk7A1 TYR 156 H -0.13 0.27 -0.15 -0.55 8.29 7.73 2fk7A1 TYR 156 HA -0.07 0.09 0.10 -0.75 4.56 3.93 2fk7A1 TYR 156 HB2 -0.69 0.03 0.02 -0.04 3.06 2.38 2fk7A1 TYR 156 HB3 -0.43 0.04 -0.09 -0.04 2.98 2.46 2fk7A1 TYR 156 HD2 -0.10 0.02 -0.07 -0.04 7.15 6.97 2fk7A1 TYR 156 HE2 -0.07 0.02 -0.05 -0.04 6.85 6.70 2fk7A1 ASP 157 H 0.03 0.14 -0.11 -0.55 8.40 7.91 2fk7A1 ASP 157 HA 0.22 0.13 0.42 -0.75 4.63 4.65 2fk7A1 ASP 157 HB2 0.11 -0.01 0.03 -0.04 2.71 2.80 2fk7A1 ASP 157 HB3 0.12 0.08 -0.06 -0.04 2.70 2.80 2fk7A1 ASP 158 H 0.14 0.09 -0.36 -0.55 8.40 7.72 2fk7A1 ASP 158 HA 0.14 0.09 0.41 -0.75 4.63 4.51 2fk7A1 ASP 158 HB2 0.40 0.09 0.10 -0.04 2.71 3.26 2fk7A1 ASP 158 HB3 0.40 0.03 -0.00 -0.04 2.70 3.08 2fk7A1 PHE 159 H 0.02 0.43 -0.15 -0.55 8.34 8.08 2fk7A1 PHE 159 HA -1.85 0.02 0.33 -0.75 4.62 2.36 2fk7A1 PHE 159 HB2 -1.10 -0.00 0.03 -0.04 3.15 2.03 2fk7A1 PHE 159 HB3 -0.66 0.09 0.10 -0.04 3.06 2.55 2fk7A1 PHE 159 HD2 -2.73 -0.01 -0.11 -0.04 7.28 4.40 2fk7A1 PHE 159 HE2 -0.82 -0.02 -0.09 -0.04 7.38 6.40 2fk7A1 PHE 159 HZ -0.44 0.00 -0.09 -0.04 7.32 6.75 2fk7A1 PHE 160 H 0.01 0.48 -0.12 -0.55 8.34 8.16 2fk7A1 PHE 160 HA -0.30 0.03 0.38 -0.75 4.62 3.97 2fk7A1 PHE 160 HB2 0.07 0.07 0.00 -0.04 3.15 3.25 2fk7A1 PHE 160 HB3 0.16 0.06 -0.05 -0.04 3.06 3.18 2fk7A1 PHE 160 HD2 -0.16 0.12 -0.09 -0.04 7.28 7.10 2fk7A1 PHE 160 HE2 -0.70 -0.04 -0.11 -0.04 7.38 6.49 2fk7A1 PHE 160 HZ -0.06 -0.06 -0.07 -0.04 7.32 7.09 2fk7A1 LYS 161 H 0.07 0.47 -0.19 -0.55 8.42 8.23 2fk7A1 LYS 161 HA 0.02 0.10 0.51 -0.75 4.32 4.20 2fk7A1 LYS 161 HB2 0.04 0.02 0.12 -0.04 1.87 2.01 2fk7A1 LYS 161 HB3 0.06 0.02 0.16 -0.04 1.79 1.99 2fk7A1 LYS 161 HG2 0.05 0.00 -0.20 -0.04 1.46 1.27 2fk7A1 LYS 161 HG3 0.01 0.03 0.03 -0.04 1.46 1.49 2fk7A1 LYS 161 HD2 0.01 -0.00 -0.02 -0.04 1.69 1.64 2fk7A1 LYS 161 HD3 0.03 -0.02 -0.02 -0.04 1.68 1.62 2fk7A1 LYS 161 HE2 0.06 -0.04 -0.03 -0.04 2.99 2.94 2fk7A1 LYS 161 HE3 0.05 0.03 -0.06 -0.04 2.99 2.97 2fk7A1 ARG 162 H -0.05 0.57 -0.17 -0.55 8.46 8.26 2fk7A1 ARG 162 HA 0.05 0.00 0.34 -0.75 4.34 3.98 2fk7A1 ARG 162 HB2 0.20 -0.02 0.11 -0.04 1.90 2.15 2fk7A1 ARG 162 HB3 -0.18 0.10 0.17 -0.04 1.80 1.85 2fk7A1 ARG 162 HG2 0.42 -0.02 -0.04 -0.04 1.67 1.99 2fk7A1 ARG 162 HG3 0.08 -0.05 -0.27 -0.04 1.67 1.39 2fk7A1 ARG 162 HD2 0.17 0.51 0.15 -0.04 3.22 4.01 2fk7A1 ARG 162 HD3 0.09 -0.10 0.04 -0.04 3.22 3.20 2fk7A1 CYS 163 H -0.36 0.56 -0.13 -0.55 8.50 8.03 2fk7A1 CYS 163 HA -0.12 -0.01 0.31 -0.75 4.58 4.01 2fk7A1 CYS 163 HB2 -0.25 0.06 0.08 -0.04 2.97 2.82 2fk7A1 CYS 163 HB3 -0.11 -0.03 -0.11 -0.04 2.97 2.68 2fk7A1 PHE 164 H 0.20 0.55 -0.27 -0.55 8.34 8.27 2fk7A1 PHE 164 HA -0.16 -0.01 0.36 -0.75 4.62 4.05 2fk7A1 PHE 164 HB2 -0.40 0.03 0.09 -0.04 3.15 2.82 2fk7A1 PHE 164 HB3 -0.17 0.07 0.13 -0.04 3.06 3.05 2fk7A1 PHE 164 HD2 -1.19 -0.06 -0.20 -0.04 7.28 5.78 2fk7A1 PHE 164 HE2 -0.28 -0.01 -0.18 -0.04 7.38 6.88 2fk7A1 PHE 164 HZ -0.15 -0.07 0.05 -0.04 7.32 7.11 2fk7A1 ASN 165 H 0.10 0.44 -0.22 -0.55 8.53 8.31 2fk7A1 ASN 165 HA 0.07 0.04 0.22 -0.75 4.76 4.33 2fk7A1 ASN 165 HB2 0.05 0.06 0.08 -0.04 2.88 3.04 2fk7A1 ASN 165 HB3 0.04 -0.09 -0.02 -0.04 2.79 2.68 2fk7A1 ASN 165 HD21 0.04 -0.08 -0.03 -0.04 7.03 6.92 2fk7A1 ASN 165 HD22 0.05 -0.05 -0.08 -0.04 7.74 7.62 2fk7A1 ILE 166 H 0.01 0.39 -0.22 -0.55 8.25 7.89 2fk7A1 ILE 166 HA -0.01 0.07 0.63 -0.75 4.18 4.12 2fk7A1 ILE 166 HB 0.04 0.03 0.02 -0.04 1.89 1.94 2fk7A1 ILE 166 HG12 0.03 0.23 0.06 -0.04 1.49 1.77 2fk7A1 ILE 166 HG13 0.04 0.04 -0.24 -0.04 1.21 1.01 2fk7A1 ILE 166 HG23 0.02 0.00 -0.10 -0.04 0.93 0.81 2fk7A1 ILE 166 HD13 0.22 -0.04 -0.12 -0.04 0.88 0.90 2fk7A1 MET 167 H -0.07 0.31 -0.34 -0.55 8.47 7.82 2fk7A1 MET 167 HA -0.03 0.39 0.93 -0.75 4.52 5.05 2fk7A1 MET 167 HB2 -0.11 0.12 0.09 -0.04 2.15 2.20 2fk7A1 MET 167 HB3 -0.07 -0.04 0.09 -0.04 2.03 1.97 2fk7A1 MET 167 HG2 -0.00 0.04 -0.30 -0.04 2.63 2.32 2fk7A1 MET 167 HG3 0.01 0.07 -0.14 -0.04 2.56 2.46 2fk7A1 MET 167 HE3 0.18 -0.01 -0.30 -0.04 2.10 1.93 2fk7A1 PRO 168 HA -0.07 0.12 0.49 -0.51 4.44 4.47 2fk7A1 PRO 168 HB2 -0.04 -0.13 0.16 -0.04 2.28 2.23 2fk7A1 PRO 168 HB3 -0.03 0.05 0.11 -0.04 2.02 2.10 2fk7A1 PRO 168 HG2 -0.04 -0.08 -0.03 -0.04 2.03 1.84 2fk7A1 PRO 168 HG3 -0.03 0.01 0.10 -0.04 2.03 2.06 2fk7A1 PRO 168 HD2 -0.04 0.18 0.34 -0.04 3.68 4.12 2fk7A1 PRO 168 HD3 -0.03 0.33 0.39 -0.04 3.65 4.30 2fk7A1 ALA 169 H -0.06 0.10 0.16 -0.55 8.40 8.05 2fk7A1 ALA 169 HA -0.12 0.12 0.44 -0.75 4.34 4.03 2fk7A1 ALA 169 HB3 -0.04 -0.00 0.10 -0.04 1.41 1.43 2fk7A1 ASP 170 H -0.05 0.03 -0.24 -0.55 8.40 7.60 2fk7A1 ASP 170 HA -0.02 0.14 0.14 -0.75 4.63 4.14 2fk7A1 ASP 170 HB2 -0.01 -0.08 0.16 -0.04 2.71 2.73 2fk7A1 ASP 170 HB3 -0.02 -0.02 -0.01 -0.04 2.70 2.62 2fk7A1 GLY 171 H -0.08 0.38 -0.51 -0.55 8.43 7.67 2fk7A1 GLY 171 HA2 -0.02 0.22 0.44 -0.51 4.01 4.14 2fk7A1 GLY 171 HA3 -0.04 0.07 0.31 -0.51 4.01 3.85 2fk7A1 ARG 172 H 0.00 0.28 0.42 -0.55 8.46 8.62 2fk7A1 ARG 172 HA 0.09 0.26 0.84 -0.75 4.34 4.78 2fk7A1 ARG 172 HB2 -0.02 -0.04 0.07 -0.04 1.90 1.87 2fk7A1 ARG 172 HB3 0.00 -0.02 0.08 -0.04 1.80 1.83 2fk7A1 ARG 172 HG2 0.02 0.02 0.00 -0.04 1.67 1.67 2fk7A1 ARG 172 HG3 -0.00 0.12 -0.19 -0.04 1.67 1.55 2fk7A1 ARG 172 HD2 -0.03 -0.09 -0.21 -0.04 3.22 2.85 2fk7A1 ARG 172 HD3 -0.01 0.02 0.00 -0.04 3.22 3.19 2fk7A1 MET 173 H 0.02 0.63 0.40 -0.55 8.47 8.97 2fk7A1 MET 173 HA -0.02 0.26 1.11 -0.75 4.52 5.12 2fk7A1 MET 173 HB2 -0.07 0.03 -0.15 -0.04 2.15 1.92 2fk7A1 MET 173 HB3 -0.18 -0.02 0.01 -0.04 2.03 1.80 2fk7A1 MET 173 HG2 0.01 -0.10 -0.48 -0.04 2.63 2.01 2fk7A1 MET 173 HG3 -0.04 0.09 -0.11 -0.04 2.56 2.46 2fk7A1 MET 173 HE3 -0.61 -0.00 -0.16 -0.04 2.10 1.28 2fk7A1 THR 174 H -0.00 0.51 0.40 -0.55 8.28 8.64 2fk7A1 THR 174 HA 0.09 0.38 1.13 -0.75 4.39 5.23 2fk7A1 THR 174 HB -0.01 -0.06 -0.04 -0.04 4.32 4.17 2fk7A1 THR 174 HG23 -0.04 0.03 -0.10 -0.04 1.22 1.06 2fk7A1 VAL 175 H 0.16 0.69 0.28 -0.55 8.24 8.82 2fk7A1 VAL 175 HA 0.05 0.24 0.97 -0.75 4.13 4.63 2fk7A1 VAL 175 HB 0.32 -0.03 0.10 -0.04 2.12 2.46 2fk7A1 VAL 175 HG13 0.01 -0.02 -0.13 -0.04 0.97 0.78 2fk7A1 VAL 175 HG23 0.13 0.01 -0.23 -0.04 0.95 0.82 2fk7A1 GLN 176 H 0.01 0.60 0.39 -0.55 8.47 8.92 2fk7A1 GLN 176 HA 0.02 0.36 1.16 -0.75 4.36 5.14 2fk7A1 GLN 176 HB2 -0.02 0.04 0.06 -0.04 2.15 2.19 2fk7A1 GLN 176 HB3 -0.00 -0.16 0.27 -0.04 2.02 2.09 2fk7A1 GLN 176 HG2 0.03 -0.10 -0.20 -0.04 2.40 2.08 2fk7A1 GLN 176 HG3 -0.00 0.06 -0.13 -0.04 2.39 2.27 2fk7A1 GLN 176 HE21 -0.08 0.24 -0.08 -0.04 6.97 7.00 2fk7A1 GLN 176 HE22 -0.06 -0.17 -0.08 -0.04 7.69 7.34 2fk7A1 SER 177 H 0.06 0.71 0.33 -0.55 8.46 9.01 2fk7A1 SER 177 HA 0.07 0.05 0.94 -0.75 4.49 4.79 2fk7A1 SER 177 HB2 0.02 -0.00 -0.20 -0.04 3.95 3.73 2fk7A1 SER 177 HB3 0.03 -0.04 -0.10 -0.04 3.93 3.78 2fk7A1 SER 178 H 0.15 0.12 0.19 -0.55 8.46 8.37 2fk7A1 SER 178 HA 0.26 0.07 0.83 -0.75 4.49 4.90 2fk7A1 SER 178 HB2 0.15 -0.00 0.14 -0.04 3.95 4.19 2fk7A1 SER 178 HB3 0.18 0.09 0.09 -0.04 3.93 4.25 2fk7A1 VAL 179 H 0.01 0.66 0.31 -0.55 8.24 8.67 2fk7A1 VAL 179 HA -0.03 0.33 0.84 -0.75 4.13 4.51 2fk7A1 VAL 179 HB -0.15 -0.00 0.13 -0.04 2.12 2.06 2fk7A1 VAL 179 HG13 -0.02 0.02 -0.46 -0.04 0.97 0.47 2fk7A1 VAL 179 HG23 -0.15 -0.04 -0.28 -0.04 0.95 0.44 2fk7A1 SER 180 H -0.11 0.54 0.11 -0.55 8.46 8.46 2fk7A1 SER 180 HA -0.16 0.20 0.80 -0.75 4.49 4.58 2fk7A1 SER 180 HB2 -0.03 0.02 0.12 -0.04 3.95 4.02 2fk7A1 SER 180 HB3 -0.03 -0.02 -0.02 -0.04 3.93 3.82 2fk7A1 TYR 181 H 0.06 0.29 0.15 -0.55 8.29 8.24 2fk7A1 TYR 181 HA 0.02 0.05 0.95 -0.75 4.56 4.83 2fk7A1 TYR 181 HB2 -0.01 0.08 0.02 -0.04 3.06 3.11 2fk7A1 TYR 181 HB3 0.02 -0.06 0.01 -0.04 2.98 2.91 2fk7A1 TYR 181 HD2 -0.01 0.05 -0.05 -0.04 7.15 7.11 2fk7A1 TYR 181 HE2 -0.02 0.02 -0.32 -0.04 6.85 6.49 2fk7A1 HIS 182 H 0.23 0.06 0.14 -0.55 8.41 8.29 2fk7A1 HIS 182 HA -0.03 0.18 0.46 -0.75 4.63 4.49 2fk7A1 HIS 182 HB2 -0.01 0.03 0.16 -0.04 3.26 3.40 2fk7A1 HIS 182 HB3 0.02 -0.14 0.13 -0.04 3.20 3.17 2fk7A1 HIS 182 HD2 -0.11 0.03 0.05 -0.04 6.97 6.89 2fk7A1 HIS 182 HE1 -2.29 0.07 0.03 -0.04 7.75 5.51 2fk7A1 PRO 183 HA -0.04 0.10 0.44 -0.51 4.44 4.43 2fk7A1 PRO 183 HB2 -0.17 0.01 0.05 -0.04 2.28 2.13 2fk7A1 PRO 183 HB3 -0.05 0.06 0.09 -0.04 2.02 2.08 2fk7A1 PRO 183 HG2 -0.33 0.07 0.10 -0.04 2.03 1.83 2fk7A1 PRO 183 HG3 -0.17 0.10 0.11 -0.04 2.03 2.03 2fk7A1 PRO 183 HD2 -1.71 0.06 0.23 -0.04 3.68 2.22 2fk7A1 PRO 183 HD3 -0.42 0.19 0.23 -0.04 3.65 3.61 2fk7A1 TYR 184 H 0.47 0.09 -0.26 -0.55 8.29 8.05 2fk7A1 TYR 184 HA 0.08 0.09 0.39 -0.75 4.56 4.37 2fk7A1 TYR 184 HB2 0.12 -0.08 0.07 -0.04 3.06 3.14 2fk7A1 TYR 184 HB3 0.04 0.08 0.00 -0.04 2.98 3.06 2fk7A1 TYR 184 HD2 -0.01 -0.01 -0.05 -0.04 7.15 7.03 2fk7A1 TYR 184 HE2 0.05 0.03 -0.01 -0.04 6.85 6.88 2fk7A1 GLU 185 H 0.25 0.03 -0.14 -0.55 8.60 8.19 2fk7A1 GLU 185 HA 0.04 0.06 0.40 -0.75 4.29 4.04 2fk7A1 GLU 185 HB2 0.14 -0.12 0.13 -0.04 2.09 2.20 2fk7A1 GLU 185 HB3 0.13 0.05 0.01 -0.04 1.99 2.13 2fk7A1 GLU 185 HG2 -0.23 0.08 -0.02 -0.04 2.34 2.13 2fk7A1 GLU 185 HG3 -0.03 0.02 0.07 -0.04 2.34 2.35 2fk7A1 MET 186 H 0.08 0.43 -0.31 -0.55 8.47 8.12 2fk7A1 MET 186 HA -0.04 0.08 0.42 -0.75 4.52 4.23 2fk7A1 MET 186 HB2 -0.00 0.03 0.14 -0.04 2.15 2.29 2fk7A1 MET 186 HB3 -0.04 -0.06 0.04 -0.04 2.03 1.93 2fk7A1 MET 186 HG2 0.07 0.02 0.00 -0.04 2.63 2.68 2fk7A1 MET 186 HG3 0.09 0.10 -0.20 -0.04 2.56 2.52 2fk7A1 MET 186 HE3 -0.01 0.00 -0.06 -0.04 2.10 1.99 2fk7A1 ALA 187 H 0.01 0.65 -0.02 -0.55 8.40 8.49 2fk7A1 ALA 187 HA -0.11 -0.04 0.30 -0.75 4.34 3.74 2fk7A1 ALA 187 HB3 -0.01 0.03 0.09 -0.04 1.41 1.47 2fk7A1 ALA 188 H -0.02 0.34 -0.45 -0.55 8.40 7.73 2fk7A1 ALA 188 HA -0.03 0.01 0.40 -0.75 4.34 3.96 2fk7A1 ALA 188 HB3 -0.03 0.03 0.09 -0.04 1.41 1.46 2fk7A1 ARG 189 H -0.06 0.38 -0.17 -0.55 8.46 8.06 2fk7A1 ARG 189 HA -0.04 0.06 0.65 -0.75 4.34 4.25 2fk7A1 ARG 189 HB2 -0.05 0.01 0.10 -0.04 1.90 1.93 2fk7A1 ARG 189 HB3 -0.05 -0.02 0.16 -0.04 1.80 1.85 2fk7A1 ARG 189 HG2 -0.09 -0.06 -0.03 -0.04 1.67 1.44 2fk7A1 ARG 189 HG3 -0.10 0.13 0.13 -0.04 1.67 1.80 2fk7A1 ARG 189 HD2 -0.16 -0.01 0.03 -0.04 3.22 3.03 2fk7A1 ARG 189 HD3 -0.13 0.05 0.03 -0.04 3.22 3.12 2fk7A1 GLY 190 H -0.05 0.45 -0.61 -0.55 8.43 7.67 2fk7A1 GLY 190 HA2 -0.04 0.00 0.40 -0.51 4.01 3.86 2fk7A1 GLY 190 HA3 -0.03 0.13 0.87 -0.51 4.01 4.48 2fk7A1 LYS 191 H -0.05 0.18 0.17 -0.55 8.42 8.17 2fk7A1 LYS 191 HA -0.33 0.08 0.53 -0.75 4.32 3.84 2fk7A1 LYS 191 HB2 0.02 -0.00 0.15 -0.04 1.87 1.99 2fk7A1 LYS 191 HB3 0.01 0.02 -0.01 -0.04 1.79 1.77 2fk7A1 LYS 191 HG2 -0.14 0.01 0.07 -0.04 1.46 1.35 2fk7A1 LYS 191 HG3 -0.07 0.03 0.11 -0.04 1.46 1.49 2fk7A1 LYS 191 HD2 0.05 0.02 0.03 -0.04 1.69 1.75 2fk7A1 LYS 191 HD3 0.02 0.02 0.06 -0.04 1.68 1.75 2fk7A1 LYS 191 HE2 0.13 -0.03 0.02 -0.04 2.99 3.07 2fk7A1 LYS 191 HE3 0.22 0.00 0.01 -0.04 2.99 3.18 2fk7A1 LYS 192 H 0.01 0.14 -0.13 -0.55 8.42 7.89 2fk7A1 LYS 192 HA 0.15 0.05 0.30 -0.75 4.32 4.07 2fk7A1 LYS 192 HB2 0.06 0.01 0.11 -0.04 1.87 2.01 2fk7A1 LYS 192 HB3 0.04 0.03 0.10 -0.04 1.79 1.92 2fk7A1 LYS 192 HG2 0.07 0.01 -0.19 -0.04 1.46 1.31 2fk7A1 LYS 192 HG3 0.08 -0.01 0.02 -0.04 1.46 1.51 2fk7A1 LYS 192 HD2 0.04 -0.00 0.01 -0.04 1.69 1.70 2fk7A1 LYS 192 HD3 0.04 0.03 -0.02 -0.04 1.68 1.69 2fk7A1 LYS 192 HE2 0.04 -0.01 -0.01 -0.04 2.99 2.97 2fk7A1 LYS 192 HE3 0.03 0.02 -0.01 -0.04 2.99 2.99 2fk7A1 LEU 193 H 0.00 0.19 -0.30 -0.55 8.37 7.72 2fk7A1 LEU 193 HA 0.09 0.03 0.21 -0.75 4.35 3.93 2fk7A1 LEU 193 HB2 0.04 -0.02 0.04 -0.04 1.64 1.66 2fk7A1 LEU 193 HB3 0.00 0.19 -0.02 -0.04 1.64 1.78 2fk7A1 LEU 193 HG 0.08 -0.02 -0.08 -0.04 1.64 1.58 2fk7A1 LEU 193 HD13 0.18 -0.02 0.01 -0.04 0.93 1.06 2fk7A1 LEU 193 HD23 0.02 0.03 0.01 -0.04 0.89 0.91 2fk7A1 SER 194 H -0.11 0.37 -0.28 -0.55 8.46 7.89 2fk7A1 SER 194 HA -0.06 0.05 0.41 -0.75 4.49 4.13 2fk7A1 SER 194 HB2 -0.15 -0.11 -0.08 -0.04 3.95 3.57 2fk7A1 SER 194 HB3 -0.15 0.27 -0.29 -0.04 3.93 3.72 2fk7A1 PHE 195 H -0.21 0.59 -0.06 -0.55 8.34 8.10 2fk7A1 PHE 195 HA 0.01 0.02 0.43 -0.75 4.62 4.33 2fk7A1 PHE 195 HB2 0.02 0.10 0.07 -0.04 3.15 3.31 2fk7A1 PHE 195 HB3 0.02 -0.03 0.01 -0.04 3.06 3.02 2fk7A1 PHE 195 HD2 0.02 -0.00 -0.03 -0.04 7.28 7.22 2fk7A1 PHE 195 HE2 0.02 -0.02 -0.03 -0.04 7.38 7.31 2fk7A1 PHE 195 HZ 0.02 -0.01 -0.00 -0.04 7.32 7.29 2fk7A1 GLU 196 H 0.14 0.43 -0.16 -0.55 8.60 8.46 2fk7A1 GLU 196 HA 0.11 0.02 0.51 -0.75 4.29 4.18 2fk7A1 GLU 196 HB2 0.13 0.04 0.10 -0.04 2.09 2.31 2fk7A1 GLU 196 HB3 0.14 0.11 0.13 -0.04 1.99 2.33 2fk7A1 GLU 196 HG2 0.30 -0.01 -0.23 -0.04 2.34 2.36 2fk7A1 GLU 196 HG3 0.16 -0.03 0.01 -0.04 2.34 2.43 2fk7A1 THR 197 H -0.00 0.58 -0.13 -0.55 8.28 8.18 2fk7A1 THR 197 HA -0.51 0.01 0.47 -0.75 4.39 3.60 2fk7A1 THR 197 HB -0.05 0.06 0.17 -0.04 4.32 4.45 2fk7A1 THR 197 HG23 -0.15 -0.01 -0.05 -0.04 1.22 0.98 2fk7A1 ALA 198 H 0.01 0.62 0.00 -0.55 8.40 8.49 2fk7A1 ALA 198 HA 0.01 -0.01 0.49 -0.75 4.34 4.07 2fk7A1 ALA 198 HB3 0.07 0.02 0.11 -0.04 1.41 1.57 2fk7A1 ARG 199 H 0.08 0.60 -0.17 -0.55 8.46 8.42 2fk7A1 ARG 199 HA 0.05 0.01 0.57 -0.75 4.34 4.22 2fk7A1 ARG 199 HB2 0.09 0.17 0.13 -0.04 1.90 2.24 2fk7A1 ARG 199 HB3 0.07 -0.06 -0.04 -0.04 1.80 1.72 2fk7A1 ARG 199 HG2 0.05 -0.06 0.05 -0.04 1.67 1.66 2fk7A1 ARG 199 HG3 0.08 0.16 0.11 -0.04 1.67 1.98 2fk7A1 ARG 199 HD2 0.07 -0.00 -0.01 -0.04 3.22 3.23 2fk7A1 ARG 199 HD3 0.04 -0.04 -0.01 -0.04 3.22 3.17 2fk7A1 PHE 200 H 0.10 0.46 -0.24 -0.55 8.34 8.11 2fk7A1 PHE 200 HA 0.07 0.03 0.50 -0.75 4.62 4.46 2fk7A1 PHE 200 HB2 -0.13 0.06 0.10 -0.04 3.15 3.14 2fk7A1 PHE 200 HB3 -0.35 0.10 0.13 -0.04 3.06 2.91 2fk7A1 PHE 200 HD2 -0.02 0.02 -0.11 -0.04 7.28 7.14 2fk7A1 PHE 200 HE2 0.10 0.02 -0.12 -0.04 7.38 7.34 2fk7A1 PHE 200 HZ 0.23 0.12 0.06 -0.04 7.32 7.69 2fk7A1 ILE 201 H 0.05 0.61 -0.06 -0.55 8.25 8.30 2fk7A1 ILE 201 HA -0.03 -0.01 0.46 -0.75 4.18 3.84 2fk7A1 ILE 201 HB 0.01 0.10 0.16 -0.04 1.89 2.12 2fk7A1 ILE 201 HG12 0.04 -0.05 0.00 -0.04 1.49 1.44 2fk7A1 ILE 201 HG13 0.04 0.12 0.03 -0.04 1.21 1.36 2fk7A1 ILE 201 HG23 0.00 -0.01 -0.11 -0.04 0.93 0.77 2fk7A1 ILE 201 HD13 -0.00 -0.01 -0.04 -0.04 0.88 0.79 2fk7A1 LYS 202 H 0.00 0.54 -0.22 -0.55 8.42 8.18 2fk7A1 LYS 202 HA -0.04 0.02 0.35 -0.75 4.32 3.90 2fk7A1 LYS 202 HB2 0.00 0.01 0.11 -0.04 1.87 1.95 2fk7A1 LYS 202 HB3 0.02 0.14 0.18 -0.04 1.79 2.09 2fk7A1 LYS 202 HG2 0.01 -0.03 -0.01 -0.04 1.46 1.38 2fk7A1 LYS 202 HG3 -0.00 -0.00 -0.16 -0.04 1.46 1.26 2fk7A1 LYS 202 HD2 -0.04 -0.01 0.01 -0.04 1.69 1.61 2fk7A1 LYS 202 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.63 2fk7A1 LYS 202 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 2fk7A1 LYS 202 HE3 -0.00 -0.02 -0.01 -0.04 2.99 2.91 2fk7A1 PHE 203 H 0.04 0.41 -0.33 -0.55 8.34 7.90 2fk7A1 PHE 203 HA -0.19 0.01 0.45 -0.75 4.62 4.13 2fk7A1 PHE 203 HB2 -0.14 -0.01 0.09 -0.04 3.15 3.04 2fk7A1 PHE 203 HB3 -0.36 0.16 0.21 -0.04 3.06 3.02 2fk7A1 PHE 203 HD2 -0.60 0.05 -0.03 -0.04 7.28 6.66 2fk7A1 PHE 203 HE2 -0.07 -0.03 -0.08 -0.04 7.38 7.16 2fk7A1 PHE 203 HZ -0.12 0.16 0.00 -0.04 7.32 7.32 2fk7A1 ILE 204 H -0.32 0.59 -0.08 -0.55 8.25 7.89 2fk7A1 ILE 204 HA -0.73 -0.03 0.43 -0.75 4.18 3.09 2fk7A1 ILE 204 HB -0.10 0.19 0.18 -0.04 1.89 2.11 2fk7A1 ILE 204 HG12 0.01 -0.05 0.03 -0.04 1.49 1.44 2fk7A1 ILE 204 HG13 -0.49 0.28 0.09 -0.04 1.21 1.04 2fk7A1 ILE 204 HG23 0.09 -0.02 -0.10 -0.04 0.93 0.86 2fk7A1 ILE 204 HD13 0.26 -0.02 -0.04 -0.04 0.88 1.03 2fk7A1 VAL 205 H -0.18 0.58 -0.32 -0.55 8.24 7.78 2fk7A1 VAL 205 HA -0.06 0.13 0.14 -0.75 4.13 3.59 2fk7A1 VAL 205 HB -0.06 0.27 0.05 -0.04 2.12 2.34 2fk7A1 VAL 205 HG13 -0.04 0.00 -0.07 -0.04 0.97 0.83 2fk7A1 VAL 205 HG23 0.02 -0.08 -0.30 -0.04 0.95 0.55 2fk7A1 THR 206 H -0.34 0.23 -0.61 -0.55 8.28 7.01 2fk7A1 THR 206 HA -0.19 0.09 0.97 -0.75 4.39 4.50 2fk7A1 THR 206 HB -0.25 0.00 0.12 -0.04 4.32 4.15 2fk7A1 THR 206 HG23 -0.18 -0.03 -0.08 -0.04 1.22 0.89 2fk7A1 GLU 207 H -0.66 0.49 0.12 -0.55 8.60 8.00 2fk7A1 GLU 207 HA -1.49 0.17 0.66 -0.75 4.29 2.88 2fk7A1 GLU 207 HB2 -0.91 0.05 0.01 -0.04 2.09 1.20 2fk7A1 GLU 207 HB3 -0.38 -0.04 0.04 -0.04 1.99 1.57 2fk7A1 GLU 207 HG2 -0.52 0.02 -0.15 -0.04 2.34 1.65 2fk7A1 GLU 207 HG3 -0.26 0.02 0.01 -0.04 2.34 2.06 2fk7A1 ILE 208 H -0.72 0.31 0.12 -0.55 8.25 7.41 2fk7A1 ILE 208 HA -0.66 0.16 0.83 -0.75 4.18 3.75 2fk7A1 ILE 208 HB -1.13 0.05 0.25 -0.04 1.89 1.01 2fk7A1 ILE 208 HG12 -1.31 0.01 -0.08 -0.04 1.49 0.07 2fk7A1 ILE 208 HG13 -1.05 -0.06 -0.02 -0.04 1.21 0.04 2fk7A1 ILE 208 HG23 -1.99 -0.02 -0.08 -0.04 0.93 -1.20 2fk7A1 ILE 208 HD13 -0.97 0.04 -0.16 -0.04 0.88 -0.26 2fk7A1 PHE 209 H -0.54 0.71 0.14 -0.55 8.34 8.10 2fk7A1 PHE 209 HA -0.17 0.19 0.67 -0.75 4.62 4.55 2fk7A1 PHE 209 HB2 -0.18 -0.04 0.03 -0.04 3.15 2.92 2fk7A1 PHE 209 HB3 -0.10 0.01 0.04 -0.04 3.06 2.96 2fk7A1 PHE 209 HD2 -0.55 0.03 -0.04 -0.04 7.28 6.68 2fk7A1 PHE 209 HE2 -0.76 -0.02 -0.03 -0.04 7.38 6.52 2fk7A1 PHE 209 HZ -0.55 -0.01 -0.03 -0.04 7.32 6.69 2fk7A1 PRO 210 HA -0.10 0.17 0.09 -0.51 4.44 4.09 2fk7A1 PRO 210 HB2 0.06 -0.08 -0.01 -0.04 2.28 2.21 2fk7A1 PRO 210 HB3 0.02 0.11 0.11 -0.04 2.02 2.21 2fk7A1 PRO 210 HG2 0.14 0.04 -0.06 -0.04 2.03 2.11 2fk7A1 PRO 210 HG3 -0.13 0.15 -0.17 -0.04 2.03 1.84 2fk7A1 PRO 210 HD2 0.08 0.03 -0.08 -0.04 3.68 3.67 2fk7A1 PRO 210 HD3 -0.10 0.22 -0.72 -0.04 3.65 3.00 2fk7A1 GLY 211 H -0.02 0.28 0.30 -0.55 8.43 8.45 2fk7A1 GLY 211 HA2 0.00 -0.03 0.43 -0.51 4.01 3.89 2fk7A1 GLY 211 HA3 0.01 -0.02 0.45 -0.51 4.01 3.94 2fk7A1 GLY 212 H 0.04 0.66 -0.49 -0.55 8.43 8.10 2fk7A1 GLY 212 HA2 0.05 0.03 0.46 -0.51 4.01 4.05 2fk7A1 GLY 212 HA3 0.08 -0.02 0.28 -0.51 4.01 3.83 2fk7A1 ARG 213 H 0.04 0.28 0.19 -0.55 8.46 8.43 2fk7A1 ARG 213 HA 0.03 0.08 0.32 -0.75 4.34 4.02 2fk7A1 ARG 213 HB2 0.08 -0.04 0.02 -0.04 1.90 1.91 2fk7A1 ARG 213 HB3 0.08 -0.05 -0.03 -0.04 1.80 1.76 2fk7A1 ARG 213 HG2 0.02 0.44 -0.21 -0.04 1.67 1.88 2fk7A1 ARG 213 HG3 0.02 -0.05 -0.07 -0.04 1.67 1.53 2fk7A1 ARG 213 HD2 0.02 0.01 0.07 -0.04 3.22 3.28 2fk7A1 ARG 213 HD3 0.02 -0.02 0.01 -0.04 3.22 3.19 2fk7A1 LEU 214 H 0.04 0.18 0.03 -0.55 8.37 8.07 2fk7A1 LEU 214 HA 0.04 0.27 0.94 -0.75 4.35 4.84 2fk7A1 LEU 214 HB2 0.02 -0.06 0.13 -0.04 1.64 1.68 2fk7A1 LEU 214 HB3 0.01 -0.00 -0.08 -0.04 1.64 1.52 2fk7A1 LEU 214 HG 0.06 -0.02 -0.15 -0.04 1.64 1.49 2fk7A1 LEU 214 HD13 0.06 -0.01 -0.11 -0.04 0.93 0.83 2fk7A1 LEU 214 HD23 0.07 0.04 -0.10 -0.04 0.89 0.86 2fk7A1 PRO 215 HA 0.03 0.05 0.51 -0.51 4.44 4.52 2fk7A1 PRO 215 HB2 -0.14 0.04 -0.01 -0.04 2.28 2.13 2fk7A1 PRO 215 HB3 -0.22 0.03 0.04 -0.04 2.02 1.83 2fk7A1 PRO 215 HG2 -0.04 0.03 -0.10 -0.04 2.03 1.88 2fk7A1 PRO 215 HG3 -0.06 0.05 -0.02 -0.04 2.03 1.95 2fk7A1 PRO 215 HD2 0.03 0.22 0.27 -0.04 3.68 4.16 2fk7A1 PRO 215 HD3 0.11 0.22 -0.02 -0.04 3.65 3.92 2fk7A1 SER 216 H -0.03 0.05 0.15 -0.55 8.46 8.09 2fk7A1 SER 216 HA -0.12 0.46 0.95 -0.75 4.49 5.03 2fk7A1 SER 216 HB2 -0.04 -0.03 0.19 -0.04 3.95 4.03 2fk7A1 SER 216 HB3 -0.01 0.06 -0.04 -0.04 3.93 3.91 2fk7A1 THR 217 H -0.13 0.27 0.12 -0.55 8.28 7.99 2fk7A1 THR 217 HA -0.04 0.12 0.33 -0.75 4.39 4.05 2fk7A1 THR 217 HB -0.03 -0.02 0.08 -0.04 4.32 4.31 2fk7A1 THR 217 HG23 -0.02 0.03 -0.10 -0.04 1.22 1.08 2fk7A1 GLU 218 H -0.02 0.06 -0.11 -0.55 8.60 7.99 2fk7A1 GLU 218 HA -0.03 0.15 0.31 -0.75 4.29 3.96 2fk7A1 GLU 218 HB2 0.00 0.05 0.10 -0.04 2.09 2.20 2fk7A1 GLU 218 HB3 -0.01 -0.09 0.08 -0.04 1.99 1.93 2fk7A1 GLU 218 HG2 -0.05 0.01 -0.20 -0.04 2.34 2.06 2fk7A1 GLU 218 HG3 -0.04 0.06 0.04 -0.04 2.34 2.36 2fk7A1 MET 219 H -0.03 -0.00 -0.30 -0.55 8.47 7.59 2fk7A1 MET 219 HA -0.11 0.05 0.48 -0.75 4.52 4.18 2fk7A1 MET 219 HB2 -0.05 0.04 0.17 -0.04 2.15 2.27 2fk7A1 MET 219 HB3 0.02 0.06 -0.02 -0.04 2.03 2.05 2fk7A1 MET 219 HG2 0.05 0.07 0.03 -0.04 2.63 2.74 2fk7A1 MET 219 HG3 0.01 -0.08 0.04 -0.04 2.56 2.50 2fk7A1 MET 219 HE3 0.10 0.04 0.01 -0.04 2.10 2.20 2fk7A1 MET 220 H -0.06 0.46 -0.07 -0.55 8.47 8.25 2fk7A1 MET 220 HA 0.00 0.00 0.35 -0.75 4.52 4.13 2fk7A1 MET 220 HB2 0.00 0.11 0.09 -0.04 2.15 2.31 2fk7A1 MET 220 HB3 0.15 0.02 -0.05 -0.04 2.03 2.10 2fk7A1 MET 220 HG2 -0.02 -0.02 -0.06 -0.04 2.63 2.49 2fk7A1 MET 220 HG3 -0.06 0.10 -0.08 -0.04 2.56 2.48 2fk7A1 MET 220 HE3 0.11 0.03 -0.11 -0.04 2.10 2.09 2fk7A1 VAL 221 H -0.05 0.50 -0.24 -0.55 8.24 7.89 2fk7A1 VAL 221 HA -0.07 0.11 0.40 -0.75 4.13 3.81 2fk7A1 VAL 221 HB -0.06 -0.00 0.15 -0.04 2.12 2.17 2fk7A1 VAL 221 HG13 -0.06 0.00 -0.08 -0.04 0.97 0.79 2fk7A1 VAL 221 HG23 -0.08 0.03 -0.02 -0.04 0.95 0.85 2fk7A1 GLU 222 H -0.11 0.56 0.03 -0.55 8.60 8.53 2fk7A1 GLU 222 HA -0.08 0.06 0.22 -0.75 4.29 3.73 2fk7A1 GLU 222 HB2 -0.18 0.04 0.16 -0.04 2.09 2.07 2fk7A1 GLU 222 HB3 -0.16 -0.03 0.01 -0.04 1.99 1.77 2fk7A1 GLU 222 HG2 -0.07 0.01 0.01 -0.04 2.34 2.26 2fk7A1 GLU 222 HG3 -0.07 0.03 0.07 -0.04 2.34 2.33 2fk7A1 HIS 223 H -0.19 0.68 -0.05 -0.55 8.41 8.31 2fk7A1 HIS 223 HA -0.05 0.01 0.59 -0.75 4.63 4.43 2fk7A1 HIS 223 HB2 -0.30 0.14 0.00 -0.04 3.26 3.07 2fk7A1 HIS 223 HB3 0.04 0.00 -0.17 -0.04 3.20 3.03 2fk7A1 HIS 223 HD2 -0.11 -0.03 -0.16 -0.04 6.97 6.63 2fk7A1 HIS 223 HE1 0.12 0.02 -0.04 -0.04 7.75 7.81 2fk7A1 GLY 224 H -0.37 0.39 -0.38 -0.55 8.43 7.51 2fk7A1 GLY 224 HA2 -0.33 0.01 0.38 -0.51 4.01 3.56 2fk7A1 GLY 224 HA3 -0.03 0.12 0.25 -0.51 4.01 3.85 2fk7A1 GLU 225 H -0.03 0.40 -0.13 -0.55 8.60 8.29 2fk7A1 GLU 225 HA 0.08 0.31 0.29 -0.75 4.29 4.22 2fk7A1 GLU 225 HB2 -0.03 -0.02 0.13 -0.04 2.09 2.14 2fk7A1 GLU 225 HB3 -0.01 -0.04 0.02 -0.04 1.99 1.93 2fk7A1 GLU 225 HG2 0.02 0.09 0.05 -0.04 2.34 2.46 2fk7A1 GLU 225 HG3 -0.01 0.20 0.06 -0.04 2.34 2.55 2fk7A1 LYS 226 H -0.03 0.45 -0.20 -0.55 8.42 8.09 2fk7A1 LYS 226 HA -0.04 -0.01 0.29 -0.75 4.32 3.81 2fk7A1 LYS 226 HB2 -0.02 -0.01 0.13 -0.04 1.87 1.93 2fk7A1 LYS 226 HB3 0.04 0.07 0.13 -0.04 1.79 1.99 2fk7A1 LYS 226 HG2 -0.00 0.04 0.00 -0.04 1.46 1.46 2fk7A1 LYS 226 HG3 0.00 -0.06 0.04 -0.04 1.46 1.40 2fk7A1 LYS 226 HD2 0.13 -0.02 0.00 -0.04 1.69 1.76 2fk7A1 LYS 226 HD3 0.09 0.01 -0.06 -0.04 1.68 1.68 2fk7A1 LYS 226 HE2 0.05 -0.02 -0.01 -0.04 2.99 2.96 2fk7A1 LYS 226 HE3 0.11 -0.07 -0.02 -0.04 2.99 2.97 2fk7A1 ALA 227 H 0.01 0.34 -0.56 -0.55 8.40 7.64 2fk7A1 ALA 227 HA -0.17 0.02 0.44 -0.75 4.34 3.88 2fk7A1 ALA 227 HB3 0.07 0.02 -0.05 -0.04 1.41 1.40 2fk7A1 GLY 228 H -0.13 0.48 -0.33 -0.55 8.43 7.90 2fk7A1 GLY 228 HA2 -0.19 -0.03 0.27 -0.51 4.01 3.55 2fk7A1 GLY 228 HA3 -0.69 0.09 0.73 -0.51 4.01 3.64 2fk7A1 PHE 229 H 0.13 0.30 0.00 -0.55 8.34 8.22 2fk7A1 PHE 229 HA 0.28 0.19 0.45 -0.75 4.62 4.79 2fk7A1 PHE 229 HB2 0.20 -0.06 -0.18 -0.04 3.15 3.06 2fk7A1 PHE 229 HB3 0.23 0.02 -0.16 -0.04 3.06 3.12 2fk7A1 PHE 229 HD2 0.17 0.06 -0.35 -0.04 7.28 7.11 2fk7A1 PHE 229 HE2 0.11 0.03 -0.17 -0.04 7.38 7.31 2fk7A1 PHE 229 HZ 0.06 -0.03 -0.41 -0.04 7.32 6.90 2fk7A1 THR 230 H 0.25 0.68 0.28 -0.55 8.28 8.94 2fk7A1 THR 230 HA 0.08 0.01 0.68 -0.75 4.39 4.41 2fk7A1 THR 230 HB 0.10 0.03 0.16 -0.04 4.32 4.57 2fk7A1 THR 230 HG23 0.03 -0.03 -0.12 -0.04 1.22 1.06 2fk7A1 VAL 231 H 0.01 0.15 0.04 -0.55 8.24 7.89 2fk7A1 VAL 231 HA -0.14 0.43 1.13 -0.75 4.13 4.81 2fk7A1 VAL 231 HB -0.07 -0.11 0.16 -0.04 2.12 2.07 2fk7A1 VAL 231 HG13 -0.30 0.06 -0.01 -0.04 0.97 0.68 2fk7A1 VAL 231 HG23 -0.01 0.05 -0.24 -0.04 0.95 0.71 2fk7A1 PRO 232 HA -0.04 0.04 0.52 -0.51 4.44 4.46 2fk7A1 PRO 232 HB2 -0.05 0.08 -0.02 -0.04 2.28 2.24 2fk7A1 PRO 232 HB3 -0.03 -0.03 0.11 -0.04 2.02 2.04 2fk7A1 PRO 232 HG2 -0.04 0.06 -0.01 -0.04 2.03 1.99 2fk7A1 PRO 232 HG3 -0.02 0.02 -0.04 -0.04 2.03 1.94 2fk7A1 PRO 232 HD2 -0.13 0.11 0.14 -0.04 3.68 3.77 2fk7A1 PRO 232 HD3 -0.06 0.24 -0.04 -0.04 3.65 3.75 2fk7A1 GLU 233 H -0.03 0.06 0.13 -0.55 8.60 8.21 2fk7A1 GLU 233 HA -0.04 0.08 0.42 -0.75 4.29 3.99 2fk7A1 GLU 233 HB2 -0.02 -0.03 0.13 -0.04 2.09 2.13 2fk7A1 GLU 233 HB3 -0.02 -0.04 0.16 -0.04 1.99 2.06 2fk7A1 GLU 233 HG2 -0.01 0.23 -0.21 -0.04 2.34 2.31 2fk7A1 GLU 233 HG3 -0.01 -0.05 0.04 -0.04 2.34 2.28 2fk7A1 PRO 234 HA -0.08 0.14 0.50 -0.51 4.44 4.49 2fk7A1 PRO 234 HB2 -0.02 -0.09 -0.10 -0.04 2.28 2.02 2fk7A1 PRO 234 HB3 -0.05 -0.02 -0.09 -0.04 2.02 1.81 2fk7A1 PRO 234 HG2 -0.05 -0.09 0.01 -0.04 2.03 1.86 2fk7A1 PRO 234 HG3 -0.10 0.12 0.05 -0.04 2.03 2.05 2fk7A1 PRO 234 HD2 -0.03 -0.00 0.17 -0.04 3.68 3.78 2fk7A1 PRO 234 HD3 -0.06 0.29 0.24 -0.04 3.65 4.08 2fk7A1 LEU 235 H -0.04 0.66 0.34 -0.55 8.37 8.78 2fk7A1 LEU 235 HA 0.01 0.11 0.82 -0.75 4.35 4.55 2fk7A1 LEU 235 HB2 -0.03 0.08 0.11 -0.04 1.64 1.76 2fk7A1 LEU 235 HB3 -0.04 -0.02 0.21 -0.04 1.64 1.74 2fk7A1 LEU 235 HG 0.03 0.01 -0.33 -0.04 1.64 1.31 2fk7A1 LEU 235 HD13 0.06 -0.01 0.04 -0.04 0.93 0.98 2fk7A1 LEU 235 HD23 -0.12 -0.01 -0.06 -0.04 0.89 0.66 2fk7A1 SER 236 H 0.06 0.21 0.19 -0.55 8.46 8.36 2fk7A1 SER 236 HA 0.09 0.17 0.86 -0.75 4.49 4.85 2fk7A1 SER 236 HB2 0.08 0.06 0.10 -0.04 3.95 4.16 2fk7A1 SER 236 HB3 0.10 0.04 0.17 -0.04 3.93 4.19 2fk7A1 LEU 237 H 0.16 0.75 0.36 -0.55 8.37 9.09 2fk7A1 LEU 237 HA 0.27 0.21 0.79 -0.75 4.35 4.86 2fk7A1 LEU 237 HB2 0.12 0.01 -0.01 -0.04 1.64 1.72 2fk7A1 LEU 237 HB3 0.10 -0.05 0.07 -0.04 1.64 1.72 2fk7A1 LEU 237 HG 0.02 0.07 -0.26 -0.04 1.64 1.43 2fk7A1 LEU 237 HD13 -0.08 0.00 -0.18 -0.04 0.93 0.64 2fk7A1 LEU 237 HD23 -0.06 0.04 -0.11 -0.04 0.89 0.71 2fk7A1 ARG 238 H 0.21 0.13 -0.11 -0.55 8.46 8.13 2fk7A1 ARG 238 HA 0.37 -0.01 0.22 -0.75 4.34 4.17 2fk7A1 ARG 238 HB2 0.29 -0.05 0.17 -0.04 1.90 2.27 2fk7A1 ARG 238 HB3 0.18 0.06 0.13 -0.04 1.80 2.12 2fk7A1 ARG 238 HG2 0.19 -0.04 -0.32 -0.04 1.67 1.45 2fk7A1 ARG 238 HG3 0.48 -0.03 0.01 -0.04 1.67 2.09 2fk7A1 ARG 238 HD2 0.12 -0.05 0.03 -0.04 3.22 3.28 2fk7A1 ARG 238 HD3 0.12 0.14 0.03 -0.04 3.22 3.46 2fk7A1 PRO 239 HA -0.02 0.09 0.45 -0.51 4.44 4.44 2fk7A1 PRO 239 HB2 -0.20 0.05 0.01 -0.04 2.28 2.10 2fk7A1 PRO 239 HB3 -0.05 0.07 0.09 -0.04 2.02 2.09 2fk7A1 PRO 239 HG2 -0.23 0.04 -0.01 -0.04 2.03 1.79 2fk7A1 PRO 239 HG3 -0.03 0.10 0.02 -0.04 2.03 2.08 2fk7A1 PRO 239 HD2 0.14 0.06 -0.30 -0.04 3.68 3.54 2fk7A1 PRO 239 HD3 0.08 0.14 0.05 -0.04 3.65 3.89 2fk7A1 HIS 240 H 0.05 0.29 -0.24 -0.55 8.41 7.97 2fk7A1 HIS 240 HA 0.15 0.03 0.55 -0.75 4.63 4.60 2fk7A1 HIS 240 HB2 0.09 0.13 0.12 -0.04 3.26 3.56 2fk7A1 HIS 240 HB3 0.15 0.25 0.13 -0.04 3.20 3.68 2fk7A1 HIS 240 HD2 0.17 0.01 0.02 -0.04 6.97 7.13 2fk7A1 HIS 240 HE1 -0.18 0.21 -0.25 -0.04 7.75 7.49 2fk7A1 TYR 241 H 0.08 0.45 -0.25 -0.55 8.29 8.02 2fk7A1 TYR 241 HA -0.20 -0.01 0.45 -0.75 4.56 4.04 2fk7A1 TYR 241 HB2 -0.33 0.04 -0.03 -0.04 3.06 2.70 2fk7A1 TYR 241 HB3 -1.20 0.06 -0.11 -0.04 2.98 1.70 2fk7A1 TYR 241 HD2 -0.19 -0.04 -0.01 -0.04 7.15 6.87 2fk7A1 TYR 241 HE2 -0.00 0.01 -0.10 -0.04 6.85 6.72 2fk7A1 ILE 242 H -0.08 0.49 -0.03 -0.55 8.25 8.08 2fk7A1 ILE 242 HA -0.10 0.02 0.50 -0.75 4.18 3.85 2fk7A1 ILE 242 HB -0.06 0.10 0.21 -0.04 1.89 2.10 2fk7A1 ILE 242 HG12 0.04 0.05 0.07 -0.04 1.49 1.61 2fk7A1 ILE 242 HG13 0.01 0.03 0.04 -0.04 1.21 1.24 2fk7A1 ILE 242 HG23 -0.05 -0.00 -0.03 -0.04 0.93 0.81 2fk7A1 ILE 242 HD13 0.05 -0.00 -0.18 -0.04 0.88 0.71 2fk7A1 LYS 243 H -0.11 0.51 -0.15 -0.55 8.42 8.12 2fk7A1 LYS 243 HA -0.18 0.01 0.33 -0.75 4.32 3.73 2fk7A1 LYS 243 HB2 -0.28 0.11 0.15 -0.04 1.87 1.82 2fk7A1 LYS 243 HB3 -0.78 -0.04 -0.02 -0.04 1.79 0.91 2fk7A1 LYS 243 HG2 -0.29 -0.04 0.05 -0.04 1.46 1.14 2fk7A1 LYS 243 HG3 -0.26 0.14 0.10 -0.04 1.46 1.41 2fk7A1 LYS 243 HD2 -1.42 -0.02 0.02 -0.04 1.69 0.23 2fk7A1 LYS 243 HD3 -0.52 0.01 0.03 -0.04 1.68 1.16 2fk7A1 LYS 243 HE2 -0.25 0.01 -0.01 -0.04 2.99 2.70 2fk7A1 LYS 243 HE3 -0.19 0.01 0.06 -0.04 2.99 2.82 2fk7A1 THR 244 H -0.02 0.58 -0.11 -0.55 8.28 8.19 2fk7A1 THR 244 HA -0.13 -0.03 0.42 -0.75 4.39 3.89 2fk7A1 THR 244 HB -0.30 0.11 0.12 -0.04 4.32 4.20 2fk7A1 THR 244 HG23 -1.28 -0.00 -0.06 -0.04 1.22 -0.16 2fk7A1 LEU 245 H -0.14 0.70 -0.20 -0.55 8.37 8.19 2fk7A1 LEU 245 HA 0.02 -0.02 0.36 -0.75 4.35 3.96 2fk7A1 LEU 245 HB2 -0.09 0.13 0.17 -0.04 1.64 1.81 2fk7A1 LEU 245 HB3 -0.00 0.05 0.09 -0.04 1.64 1.73 2fk7A1 LEU 245 HG -0.10 0.02 0.00 -0.04 1.64 1.53 2fk7A1 LEU 245 HD13 -0.40 -0.04 -0.29 -0.04 0.93 0.15 2fk7A1 LEU 245 HD23 0.09 -0.01 -0.02 -0.04 0.89 0.91 2fk7A1 ARG 246 H -0.07 0.50 -0.18 -0.55 8.46 8.16 2fk7A1 ARG 246 HA 0.01 0.00 0.42 -0.75 4.34 4.03 2fk7A1 ARG 246 HB2 -0.04 0.01 0.08 -0.04 1.90 1.90 2fk7A1 ARG 246 HB3 -0.07 0.09 0.18 -0.04 1.80 1.95 2fk7A1 ARG 246 HG2 -0.05 -0.01 -0.02 -0.04 1.67 1.55 2fk7A1 ARG 246 HG3 -0.02 -0.01 -0.21 -0.04 1.67 1.39 2fk7A1 ARG 246 HD2 -0.01 -0.01 -0.00 -0.04 3.22 3.16 2fk7A1 ARG 246 HD3 0.00 -0.05 0.08 -0.04 3.22 3.22 2fk7A1 ILE 247 H -0.03 0.58 -0.03 -0.55 8.25 8.22 2fk7A1 ILE 247 HA 0.08 0.00 0.49 -0.75 4.18 4.00 2fk7A1 ILE 247 HB 0.05 0.08 0.19 -0.04 1.89 2.17 2fk7A1 ILE 247 HG12 0.03 -0.04 0.05 -0.04 1.49 1.49 2fk7A1 ILE 247 HG13 -0.05 0.05 0.09 -0.04 1.21 1.26 2fk7A1 ILE 247 HG23 0.20 -0.02 -0.09 -0.04 0.93 0.98 2fk7A1 ILE 247 HD13 0.01 -0.03 -0.03 -0.04 0.88 0.80 2fk7A1 TRP 248 H 0.19 0.66 0.02 -0.55 7.97 8.30 2fk7A1 TRP 248 HA 0.24 0.22 0.53 -0.75 4.62 4.85 2fk7A1 TRP 248 HB2 0.15 0.06 0.13 -0.04 3.23 3.53 2fk7A1 TRP 248 HB3 0.10 -0.06 -0.08 -0.04 3.23 3.15 2fk7A1 TRP 248 HD1 0.28 0.08 0.02 -0.04 7.22 7.56 2fk7A1 TRP 248 HE1 0.23 -0.14 0.04 -0.04 10.20 10.29 2fk7A1 TRP 248 HE3 0.35 0.01 -0.08 -0.04 7.59 7.83 2fk7A1 TRP 248 HZ2 0.32 0.13 0.05 -0.04 7.44 7.91 2fk7A1 TRP 248 HZ3 0.65 -0.01 -0.15 -0.04 7.13 7.58 2fk7A1 TRP 248 HH2 0.54 -0.10 -0.38 -0.04 7.19 7.21 2fk7A1 GLY 249 H 0.22 0.63 -0.20 -0.55 8.43 8.53 2fk7A1 GLY 249 HA2 0.06 -0.03 0.47 -0.51 4.01 4.00 2fk7A1 GLY 249 HA3 0.08 0.08 0.32 -0.51 4.01 3.97 2fk7A1 ASP 250 H 0.09 0.75 0.07 -0.55 8.40 8.77 2fk7A1 ASP 250 HA 0.07 -0.04 0.40 -0.75 4.63 4.30 2fk7A1 ASP 250 HB2 0.07 0.08 0.14 -0.04 2.71 2.96 2fk7A1 ASP 250 HB3 0.06 -0.07 0.07 -0.04 2.70 2.72 2fk7A1 THR 251 H 0.16 0.55 -0.30 -0.55 8.28 8.14 2fk7A1 THR 251 HA 0.10 -0.04 0.50 -0.75 4.39 4.20 2fk7A1 THR 251 HB 0.24 0.13 0.23 -0.04 4.32 4.88 2fk7A1 THR 251 HG23 0.11 0.04 -0.15 -0.04 1.22 1.18 2fk7A1 LEU 252 H 0.14 0.68 0.11 -0.55 8.37 8.75 2fk7A1 LEU 252 HA 0.06 0.17 0.43 -0.75 4.35 4.27 2fk7A1 LEU 252 HB2 -0.05 0.02 0.10 -0.04 1.64 1.67 2fk7A1 LEU 252 HB3 -0.01 0.03 0.16 -0.04 1.64 1.78 2fk7A1 LEU 252 HG 0.08 -0.04 -0.27 -0.04 1.64 1.37 2fk7A1 LEU 252 HD13 -0.10 -0.01 -0.06 -0.04 0.93 0.72 2fk7A1 LEU 252 HD23 -0.07 -0.02 -0.10 -0.04 0.89 0.67 2fk7A1 GLN 253 H 0.11 0.63 -0.13 -0.55 8.47 8.53 2fk7A1 GLN 253 HA 0.31 -0.06 0.42 -0.75 4.36 4.27 2fk7A1 GLN 253 HB2 0.11 -0.00 0.10 -0.04 2.15 2.32 2fk7A1 GLN 253 HB3 0.09 0.14 0.18 -0.04 2.02 2.39 2fk7A1 GLN 253 HG2 0.08 0.00 -0.17 -0.04 2.40 2.28 2fk7A1 GLN 253 HG3 0.13 -0.07 0.02 -0.04 2.39 2.43 2fk7A1 GLN 253 HE21 0.04 -0.05 0.01 -0.04 6.97 6.94 2fk7A1 GLN 253 HE22 0.06 0.13 0.09 -0.04 7.69 7.93 2fk7A1 SER 254 H 0.08 0.66 -0.03 -0.55 8.46 8.63 2fk7A1 SER 254 HA 0.04 -0.07 0.48 -0.75 4.49 4.19 2fk7A1 SER 254 HB2 0.04 -0.13 0.15 -0.04 3.95 3.97 2fk7A1 SER 254 HB3 0.06 0.22 0.26 -0.04 3.93 4.42 2fk7A1 ASN 255 H 0.07 0.48 -0.54 -0.55 8.53 7.99 2fk7A1 ASN 255 HA 0.00 0.07 0.94 -0.75 4.76 5.02 2fk7A1 ASN 255 HB2 0.00 0.19 0.17 -0.04 2.88 3.21 2fk7A1 ASN 255 HB3 -0.02 -0.23 0.21 -0.04 2.79 2.71 2fk7A1 ASN 255 HD21 -0.01 -0.10 0.00 -0.04 7.03 6.88 2fk7A1 ASN 255 HD22 -0.04 0.17 0.20 -0.04 7.74 8.02 2fk7A1 LYS 256 H 0.02 0.66 -0.10 -0.55 8.42 8.45 2fk7A1 LYS 256 HA -0.26 0.04 0.34 -0.75 4.32 3.69 2fk7A1 LYS 256 HB2 -0.12 0.14 0.21 -0.04 1.87 2.06 2fk7A1 LYS 256 HB3 -0.13 -0.06 0.18 -0.04 1.79 1.74 2fk7A1 LYS 256 HG2 -0.39 -0.05 -0.24 -0.04 1.46 0.74 2fk7A1 LYS 256 HG3 -1.37 -0.04 -0.00 -0.04 1.46 0.01 2fk7A1 LYS 256 HD2 -0.10 0.03 0.02 -0.04 1.69 1.60 2fk7A1 LYS 256 HD3 -0.12 0.01 0.01 -0.04 1.68 1.54 2fk7A1 LYS 256 HE2 -0.06 0.01 -0.01 -0.04 2.99 2.89 2fk7A1 LYS 256 HE3 -0.18 -0.04 -0.04 -0.04 2.99 2.69 2fk7A1 ASP 257 H -0.09 0.18 -0.06 -0.55 8.40 7.89 2fk7A1 ASP 257 HA -0.10 0.02 0.41 -0.75 4.63 4.21 2fk7A1 ASP 257 HB2 -0.04 0.03 0.09 -0.04 2.71 2.75 2fk7A1 ASP 257 HB3 -0.04 0.02 0.02 -0.04 2.70 2.66 2fk7A1 LYS 258 H -0.03 0.15 -0.17 -0.55 8.42 7.81 2fk7A1 LYS 258 HA -0.02 0.03 0.40 -0.75 4.32 3.97 2fk7A1 ALA 259 H -0.02 0.74 -0.12 -0.55 8.40 8.46 2fk7A1 ALA 259 HA 0.04 0.02 0.49 -0.75 4.34 4.14 2fk7A1 ALA 259 HB3 0.14 0.02 0.05 -0.04 1.41 1.57 2fk7A1 ILE 260 H -0.03 0.69 -0.04 -0.55 8.25 8.32 2fk7A1 ILE 260 HA 0.08 -0.02 0.17 -0.75 4.18 3.65 2fk7A1 ILE 260 HB -0.08 0.12 0.16 -0.04 1.89 2.05 2fk7A1 ILE 260 HG12 -0.00 -0.14 -0.11 -0.04 1.49 1.19 2fk7A1 ILE 260 HG13 -0.27 0.15 0.03 -0.04 1.21 1.07 2fk7A1 ILE 260 HG23 -0.02 -0.04 -0.20 -0.04 0.93 0.63 2fk7A1 ILE 260 HD13 -0.21 -0.02 -0.06 -0.04 0.88 0.55 2fk7A1 GLU 261 H -0.01 0.68 -0.06 -0.55 8.60 8.67 2fk7A1 GLU 261 HA 0.00 -0.01 0.35 -0.75 4.29 3.87 2fk7A1 VAL 262 H 0.04 0.24 -0.64 -0.55 8.24 7.33 2fk7A1 VAL 262 HA 0.02 0.06 0.51 -0.75 4.13 3.96 2fk7A1 VAL 262 HB 0.07 0.11 0.12 -0.04 2.12 2.38 2fk7A1 VAL 262 HG13 0.05 -0.05 -0.15 -0.04 0.97 0.78 2fk7A1 VAL 262 HG23 0.00 0.00 -0.03 -0.04 0.95 0.89 2fk7A1 THR 263 H 0.07 0.37 -0.19 -0.55 8.28 7.98 2fk7A1 THR 263 HA -0.02 0.14 0.86 -0.75 4.39 4.62 2fk7A1 THR 263 HB -0.12 -0.07 0.16 -0.04 4.32 4.25 2fk7A1 THR 263 HG23 -0.15 -0.01 -0.04 -0.04 1.22 0.97 2fk7A1 SER 264 H 0.03 0.21 0.30 -0.55 8.46 8.45 2fk7A1 SER 264 HA 0.02 0.26 0.53 -0.75 4.49 4.55 2fk7A1 SER 264 HB2 0.02 -0.15 0.21 -0.04 3.95 3.99 2fk7A1 SER 264 HB3 -0.00 0.29 0.06 -0.04 3.93 4.24 2fk7A1 GLU 265 H 0.04 0.24 0.19 -0.55 8.60 8.52 2fk7A1 GLU 265 HA 0.12 0.11 0.59 -0.75 4.29 4.36 2fk7A1 GLU 265 HB2 0.03 0.06 0.15 -0.04 2.09 2.28 2fk7A1 GLU 265 HB3 0.06 0.02 0.06 -0.04 1.99 2.09 2fk7A1 GLU 265 HG2 0.12 -0.02 -0.02 -0.04 2.34 2.38 2fk7A1 GLU 265 HG3 0.05 0.01 0.08 -0.04 2.34 2.44 2fk7A1 GLU 266 H 0.06 0.11 -0.05 -0.55 8.60 8.17 2fk7A1 GLU 266 HA 0.08 0.09 0.43 -0.75 4.29 4.14 2fk7A1 GLU 266 HB2 0.05 0.03 0.10 -0.04 2.09 2.23 2fk7A1 GLU 266 HB3 0.03 -0.02 0.07 -0.04 1.99 2.03 2fk7A1 GLU 266 HG2 0.06 0.05 -0.34 -0.04 2.34 2.06 2fk7A1 GLU 266 HG3 0.08 -0.00 -0.01 -0.04 2.34 2.37 2fk7A1 VAL 267 H 0.03 0.07 -0.26 -0.55 8.24 7.53 2fk7A1 VAL 267 HA 0.02 0.12 0.37 -0.75 4.13 3.89 2fk7A1 VAL 267 HB -0.12 -0.05 0.12 -0.04 2.12 2.03 2fk7A1 VAL 267 HG13 -0.72 0.02 -0.09 -0.04 0.97 0.14 2fk7A1 VAL 267 HG23 -0.12 0.02 0.01 -0.04 0.95 0.82 2fk7A1 TYR 268 H 0.23 0.39 -0.12 -0.55 8.29 8.23 2fk7A1 TYR 268 HA 0.34 0.06 0.52 -0.75 4.56 4.73 2fk7A1 TYR 268 HB2 0.18 0.03 0.04 -0.04 3.06 3.28 2fk7A1 TYR 268 HB3 0.10 0.03 0.20 -0.04 2.98 3.27 2fk7A1 TYR 268 HD2 0.11 0.03 -0.09 -0.04 7.15 7.16 2fk7A1 TYR 268 HE2 0.05 0.11 -0.16 -0.04 6.85 6.81 2fk7A1 ASN 269 H 0.21 0.71 -0.07 -0.55 8.53 8.84 2fk7A1 ASN 269 HA -0.01 0.00 0.43 -0.75 4.76 4.43 2fk7A1 ASN 269 HB2 0.10 0.11 0.14 -0.04 2.88 3.19 2fk7A1 ASN 269 HB3 0.06 -0.04 -0.02 -0.04 2.79 2.75 2fk7A1 ASN 269 HD21 0.11 -0.05 -0.05 -0.04 7.03 7.00 2fk7A1 ASN 269 HD22 0.09 -0.02 -0.06 -0.04 7.74 7.71 2fk7A1 ARG 270 H 0.09 0.52 -0.17 -0.55 8.46 8.35 2fk7A1 ARG 270 HA 0.13 -0.00 0.44 -0.75 4.34 4.14 2fk7A1 ARG 270 HB2 0.09 0.05 0.12 -0.04 1.90 2.12 2fk7A1 ARG 270 HB3 0.06 0.12 0.16 -0.04 1.80 2.10 2fk7A1 ARG 270 HG2 -0.19 -0.07 -0.16 -0.04 1.67 1.20 2fk7A1 ARG 270 HG3 0.12 -0.05 -0.01 -0.04 1.67 1.69 2fk7A1 ARG 270 HD2 -0.13 0.00 -0.02 -0.04 3.22 3.03 2fk7A1 ARG 270 HD3 -0.24 0.19 -0.07 -0.04 3.22 3.06 2fk7A1 TYR 271 H 0.19 0.49 -0.22 -0.55 8.29 8.20 2fk7A1 TYR 271 HA 0.14 0.01 0.41 -0.75 4.56 4.37 2fk7A1 TYR 271 HB2 0.20 0.13 0.14 -0.04 3.06 3.49 2fk7A1 TYR 271 HB3 0.05 -0.04 0.01 -0.04 2.98 2.96 2fk7A1 TYR 271 HD2 -0.05 0.12 0.04 -0.04 7.15 7.21 2fk7A1 TYR 271 HE2 0.00 0.03 0.01 -0.04 6.85 6.84 2fk7A1 MET 272 H -0.10 0.62 -0.07 -0.55 8.47 8.37 2fk7A1 MET 272 HA -0.05 0.00 0.56 -0.75 4.52 4.28 2fk7A1 MET 272 HB2 -0.17 0.08 0.15 -0.04 2.15 2.16 2fk7A1 MET 272 HB3 -0.08 -0.06 0.01 -0.04 2.03 1.86 2fk7A1 MET 272 HG2 -0.92 0.19 0.03 -0.04 2.63 1.88 2fk7A1 MET 272 HG3 -0.39 -0.04 -0.02 -0.04 2.56 2.08 2fk7A1 MET 272 HE3 0.01 -0.01 0.02 -0.04 2.10 2.08 2fk7A1 LYS 273 H 0.03 0.68 -0.12 -0.55 8.42 8.45 2fk7A1 LYS 273 HA 0.03 -0.03 0.43 -0.75 4.32 3.99 2fk7A1 LYS 273 HB2 -0.04 -0.00 0.11 -0.04 1.87 1.90 2fk7A1 LYS 273 HB3 0.06 0.20 0.21 -0.04 1.79 2.22 2fk7A1 LYS 273 HG2 -0.36 0.00 -0.25 -0.04 1.46 0.82 2fk7A1 LYS 273 HG3 -0.08 -0.07 -0.01 -0.04 1.46 1.26 2fk7A1 LYS 273 HD2 -0.24 -0.02 -0.02 -0.04 1.69 1.37 2fk7A1 LYS 273 HD3 -0.64 0.02 -0.02 -0.04 1.68 1.00 2fk7A1 LYS 273 HE2 -1.45 -0.01 -0.05 -0.04 2.99 1.44 2fk7A1 LYS 273 HE3 -0.29 -0.03 -0.03 -0.04 2.99 2.60 2fk7A1 TYR 274 H 0.30 0.65 -0.12 -0.55 8.29 8.57 2fk7A1 TYR 274 HA 0.53 -0.02 0.37 -0.75 4.56 4.69 2fk7A1 TYR 274 HB2 -0.07 0.04 0.06 -0.04 3.06 3.05 2fk7A1 TYR 274 HB3 -0.04 0.10 0.17 -0.04 2.98 3.17 2fk7A1 TYR 274 HD2 0.09 0.01 -0.03 -0.04 7.15 7.19 2fk7A1 TYR 274 HE2 0.31 -0.02 -0.05 -0.04 6.85 7.05 2fk7A1 LEU 275 H 0.16 0.76 -0.02 -0.55 8.37 8.72 2fk7A1 LEU 275 HA -0.08 -0.03 0.42 -0.75 4.35 3.91 2fk7A1 LEU 275 HB2 0.03 0.04 0.22 -0.04 1.64 1.89 2fk7A1 LEU 275 HB3 0.09 -0.01 0.04 -0.04 1.64 1.72 2fk7A1 LEU 275 HG 0.15 0.11 0.09 -0.04 1.64 1.95 2fk7A1 LEU 275 HD13 -0.40 -0.02 -0.21 -0.04 0.93 0.26 2fk7A1 LEU 275 HD23 0.33 -0.03 -0.03 -0.04 0.89 1.12 2fk7A1 ARG 276 H 0.03 0.68 0.04 -0.55 8.46 8.66 2fk7A1 ARG 276 HA 0.00 0.00 0.47 -0.75 4.34 4.07 2fk7A1 ARG 276 HB2 -0.01 0.11 0.07 -0.04 1.90 2.03 2fk7A1 ARG 276 HB3 -0.03 -0.07 0.00 -0.04 1.80 1.66 2fk7A1 ARG 276 HG2 0.00 0.09 0.11 -0.04 1.67 1.83 2fk7A1 ARG 276 HG3 -0.01 -0.04 -0.00 -0.04 1.67 1.58 2fk7A1 ARG 276 HD2 -0.00 -0.02 0.02 -0.04 3.22 3.18 2fk7A1 ARG 276 HD3 0.02 -0.02 -0.03 -0.04 3.22 3.14 2fk7A1 GLY 277 H 0.07 0.67 -0.22 -0.55 8.43 8.40 2fk7A1 GLY 277 HA2 -0.27 -0.03 0.46 -0.51 4.01 3.66 2fk7A1 GLY 277 HA3 -0.27 0.13 0.33 -0.51 4.01 3.69 2fk7A1 CYS 278 H 0.11 0.83 0.00 -0.55 8.50 8.89 2fk7A1 CYS 278 HA 0.27 -0.04 0.46 -0.75 4.58 4.50 2fk7A1 CYS 278 HB2 -0.13 0.18 0.16 -0.04 2.97 3.14 2fk7A1 CYS 278 HB3 0.09 -0.09 -0.07 -0.04 2.97 2.86 2fk7A1 GLU 279 H 0.01 0.52 -0.26 -0.55 8.60 8.32 2fk7A1 GLU 279 HA 0.02 -0.03 0.36 -0.75 4.29 3.88 2fk7A1 GLU 279 HB2 -0.01 0.06 0.08 -0.04 2.09 2.18 2fk7A1 GLU 279 HB3 -0.00 0.11 0.13 -0.04 1.99 2.19 2fk7A1 GLU 279 HG2 -0.02 -0.05 -0.05 -0.04 2.34 2.19 2fk7A1 GLU 279 HG3 -0.04 0.01 0.12 -0.04 2.34 2.38 2fk7A1 HIS 280 H 0.00 0.54 -0.22 -0.55 8.41 8.19 2fk7A1 HIS 280 HA -0.15 -0.00 0.41 -0.75 4.63 4.13 2fk7A1 HIS 280 HB2 -0.25 0.04 0.13 -0.04 3.26 3.14 2fk7A1 HIS 280 HB3 -0.51 0.14 0.23 -0.04 3.20 3.01 2fk7A1 HIS 280 HD2 -1.80 -0.00 -0.16 -0.04 6.97 4.96 2fk7A1 HIS 280 HE1 -0.16 -0.01 -0.03 -0.04 7.75 7.51 2fk7A1 TYR 281 H -0.07 0.66 0.01 -0.55 8.29 8.35 2fk7A1 TYR 281 HA -0.14 0.04 0.45 -0.75 4.56 4.16 2fk7A1 TYR 281 HB2 -0.09 0.07 0.05 -0.04 3.06 3.05 2fk7A1 TYR 281 HB3 -0.06 -0.09 -0.03 -0.04 2.98 2.76 2fk7A1 TYR 281 HD2 -0.41 0.05 -0.06 -0.04 7.15 6.69 2fk7A1 TYR 281 HE2 -0.40 -0.01 -0.06 -0.04 6.85 6.33 2fk7A1 PHE 282 H 0.26 0.76 -0.13 -0.55 8.34 8.68 2fk7A1 PHE 282 HA 0.06 0.03 0.56 -0.75 4.62 4.51 2fk7A1 PHE 282 HB2 -0.01 0.21 0.15 -0.04 3.15 3.45 2fk7A1 PHE 282 HB3 0.02 -0.05 -0.04 -0.04 3.06 2.96 2fk7A1 PHE 282 HD2 0.02 0.13 -0.06 -0.04 7.28 7.33 2fk7A1 PHE 282 HE2 -0.04 -0.09 -0.26 -0.04 7.38 6.95 2fk7A1 PHE 282 HZ -0.04 -0.01 -0.10 -0.04 7.32 7.13 2fk7A1 THR 283 H 0.05 0.66 -0.06 -0.55 8.28 8.38 2fk7A1 THR 283 HA 0.02 -0.04 0.37 -0.75 4.39 3.98 2fk7A1 THR 283 HB -0.16 0.16 0.19 -0.04 4.32 4.47 2fk7A1 THR 283 HG23 -0.07 -0.03 -0.04 -0.04 1.22 1.04 2fk7A1 ASP 284 H -0.17 0.45 -0.18 -0.55 8.40 7.96 2fk7A1 ASP 284 HA -0.10 0.08 0.63 -0.75 4.63 4.48 2fk7A1 ASP 284 HB2 -0.19 0.02 0.12 -0.04 2.71 2.61 2fk7A1 ASP 284 HB3 -0.07 -0.05 0.08 -0.04 2.70 2.63 2fk7A1 GLU 285 H 0.02 0.50 -0.50 -0.55 8.60 8.07 2fk7A1 GLU 285 HA 0.06 0.09 0.38 -0.75 4.29 4.07 2fk7A1 GLU 285 HB2 -0.02 0.16 -0.08 -0.04 2.09 2.11 2fk7A1 GLU 285 HB3 -0.00 -0.10 0.18 -0.04 1.99 2.02 2fk7A1 GLU 285 HG2 0.04 0.03 0.02 -0.04 2.34 2.39 2fk7A1 GLU 285 HG3 -0.00 0.10 -0.25 -0.04 2.34 2.15 2fk7A1 MET 286 H 0.05 0.50 -0.04 -0.55 8.47 8.44 2fk7A1 MET 286 HA 0.08 0.15 0.85 -0.75 4.52 4.85 2fk7A1 MET 286 HB2 0.18 -0.03 0.03 -0.04 2.15 2.29 2fk7A1 MET 286 HB3 0.06 -0.09 0.06 -0.04 2.03 2.02 2fk7A1 MET 286 HG2 0.06 0.15 -0.21 -0.04 2.63 2.59 2fk7A1 MET 286 HG3 0.15 -0.06 -0.04 -0.04 2.56 2.56 2fk7A1 MET 286 HE3 0.01 -0.01 -0.05 -0.04 2.10 2.00 2fk7A1 LEU 287 H -0.07 0.27 -0.01 -0.55 8.37 8.02 2fk7A1 LEU 287 HA -0.18 0.18 0.71 -0.75 4.35 4.32 2fk7A1 LEU 287 HB2 -0.97 -0.06 -0.12 -0.04 1.64 0.45 2fk7A1 LEU 287 HB3 -0.73 0.08 0.13 -0.04 1.64 1.07 2fk7A1 LEU 287 HG -0.05 -0.09 -0.28 -0.04 1.64 1.18 2fk7A1 LEU 287 HD13 0.10 -0.00 -0.05 -0.04 0.93 0.94 2fk7A1 LEU 287 HD23 -0.04 0.05 0.03 -0.04 0.89 0.88 2fk7A1 ASP 288 H -0.31 0.62 0.29 -0.55 8.40 8.46 2fk7A1 ASP 288 HA 0.09 0.10 0.55 -0.75 4.63 4.62 2fk7A1 ASP 288 HB2 -0.00 0.12 -0.26 -0.04 2.71 2.51 2fk7A1 ASP 288 HB3 -0.14 -0.04 -0.10 -0.04 2.70 2.38 2fk7A1 CYS 289 H 0.24 0.20 0.15 -0.55 8.50 8.55 2fk7A1 CYS 289 HA 0.23 0.21 0.82 -0.75 4.58 5.09 2fk7A1 CYS 289 HB2 0.74 0.07 -0.09 -0.04 2.97 3.65 2fk7A1 CYS 289 HB3 0.40 -0.15 -0.00 -0.04 2.97 3.18 2fk7A1 SER 290 H 0.09 0.73 0.27 -0.55 8.46 9.00 2fk7A1 SER 290 HA 0.05 0.32 0.96 -0.75 4.49 5.06 2fk7A1 SER 290 HB2 0.01 0.01 0.01 -0.04 3.95 3.95 2fk7A1 SER 290 HB3 -0.00 0.07 -0.14 -0.04 3.93 3.82 2fk7A1 LEU 291 H -0.00 0.74 0.29 -0.55 8.37 8.85 2fk7A1 LEU 291 HA -0.01 0.18 0.97 -0.75 4.35 4.73 2fk7A1 LEU 291 HB2 -0.05 -0.06 0.00 -0.04 1.64 1.49 2fk7A1 LEU 291 HB3 -0.06 -0.02 0.20 -0.04 1.64 1.71 2fk7A1 LEU 291 HG -0.05 -0.06 -0.08 -0.04 1.64 1.40 2fk7A1 LEU 291 HD13 -0.15 -0.00 -0.13 -0.04 0.93 0.60 2fk7A1 LEU 291 HD23 -0.06 0.04 -0.26 -0.04 0.89 0.57 2fk7A1 VAL 292 H -0.00 0.73 0.25 -0.55 8.24 8.67 2fk7A1 VAL 292 HA -0.17 0.08 0.75 -0.75 4.13 4.05 2fk7A1 VAL 292 HB -0.02 -0.00 0.04 -0.04 2.12 2.10 2fk7A1 VAL 292 HG13 -0.64 0.05 -0.18 -0.04 0.97 0.16 2fk7A1 VAL 292 HG23 -0.03 -0.03 -0.14 -0.04 0.95 0.71 2fk7A1 THR 293 H -0.27 0.22 0.15 -0.55 8.28 7.84 2fk7A1 THR 293 HA -0.11 0.24 1.01 -0.75 4.39 4.78 2fk7A1 THR 293 HB -0.13 -0.03 0.09 -0.04 4.32 4.21 2fk7A1 THR 293 HG23 -0.05 0.03 -0.12 -0.04 1.22 1.03 2fk7A1 TYR 294 H 0.02 0.76 0.37 -0.55 8.29 8.90 2fk7A1 TYR 294 HA -0.12 0.27 0.92 -0.75 4.56 4.88 2fk7A1 TYR 294 HB2 -0.62 -0.06 0.12 -0.04 3.06 2.46 2fk7A1 TYR 294 HB3 -1.46 0.03 -0.09 -0.04 2.98 1.42 2fk7A1 TYR 294 HD2 -0.22 0.08 -0.17 -0.04 7.15 6.81 2fk7A1 TYR 294 HE2 -0.15 0.00 -0.04 -0.04 6.85 6.62 2fk7A1 LEU 295 H 0.18 0.68 0.29 -0.55 8.37 8.97 2fk7A1 LEU 295 HA 0.15 0.22 0.99 -0.75 4.35 4.96 2fk7A1 LEU 295 HB2 0.10 -0.11 0.12 -0.04 1.64 1.71 2fk7A1 LEU 295 HB3 0.07 0.11 0.05 -0.04 1.64 1.84 2fk7A1 LEU 295 HG 0.02 -0.01 -0.14 -0.04 1.64 1.48 2fk7A1 LEU 295 HD13 0.01 -0.02 -0.06 -0.04 0.93 0.82 2fk7A1 LEU 295 HD23 0.01 0.02 -0.11 -0.04 0.89 0.77 2fk7A1 LYS 296 H 0.14 0.63 0.24 -0.55 8.42 8.88 2fk7A1 LYS 296 HA 0.10 0.11 0.54 -0.75 4.32 4.31 2fk7A1 LYS 296 HB2 -0.08 0.03 0.08 -0.04 1.87 1.86 2fk7A1 LYS 296 HB3 -0.28 -0.01 0.16 -0.04 1.79 1.62 2fk7A1 LYS 296 HG2 -0.59 -0.05 -0.08 -0.04 1.46 0.69 2fk7A1 LYS 296 HG3 0.04 -0.01 -0.11 -0.04 1.46 1.33 2fk7A1 LYS 296 HD2 -0.55 0.04 0.03 -0.04 1.69 1.17 2fk7A1 LYS 296 HD3 -0.31 0.15 -0.03 -0.04 1.68 1.46 2fk7A1 LYS 296 HE2 -0.68 -0.14 0.02 -0.04 2.99 2.15 2fk7A1 LYS 296 HE3 -2.63 -0.09 0.01 -0.04 2.99 0.24 2fk7A1 PRO 297 HA 0.06 0.05 0.45 -0.51 4.44 4.49 2fk7A1 PRO 297 HB2 0.03 -0.02 0.03 -0.04 2.28 2.29 2fk7A1 PRO 297 HB3 0.05 -0.04 0.11 -0.04 2.02 2.10 2fk7A1 PRO 297 HG2 0.14 -0.01 0.12 -0.04 2.03 2.24 2fk7A1 PRO 297 HG3 0.12 0.10 0.16 -0.04 2.03 2.36 2fk7A1 PRO 297 HD2 -0.01 0.09 0.24 -0.04 3.68 3.95 2fk7A1 PRO 297 HD3 0.27 0.25 0.24 -0.04 3.65 4.37 2fk7A1 GLY 298 H -0.02 0.30 -0.21 -0.55 8.43 7.95 2fk7A1 GLY 298 HA2 0.00 0.06 0.57 -0.51 4.01 4.13 2fk7A1 GLY 298 HA3 -0.02 -0.11 0.16 -0.51 4.01 3.53 2fk7A1 ALA 299 H 0.02 0.46 -0.36 -0.55 8.40 7.96 2fk7A1 ALA 299 HA -0.00 0.01 0.37 -0.75 4.34 3.96 2fk7A1 ALA 299 HB3 0.03 -0.00 0.05 -0.04 1.41 1.44 2fk7A1 ALA 300 H -0.00 0.11 0.18 -0.55 8.40 8.14 2fk7A1 ALA 300 HA 0.00 -0.01 0.43 -0.75 4.34 4.00 2fk7A1 ALA 300 HB3 -0.00 -0.01 0.10 -0.04 1.41 1.46 2fk7A1 ALA 301 H 0.00 0.02 0.07 -0.55 8.40 7.95 2fk7A1 ALA 301 HA 0.01 0.14 0.24 -0.75 4.34 3.97 2fk7A1 ALA 301 HB3 0.00 -0.01 0.07 -0.04 1.41 1.44