============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 38 0.900 31.712 18.145 112.508 -99.200 -91.000 HIS 52 0.900 7.274 13.956 106.911 -99.200 -91.000 HIS 57 0.900 8.184 26.166 114.120 -99.200 -91.000 PHE 67 1.000 20.657 40.655 117.893 -99.200 -91.000 PHE 75 1.000 25.508 61.099 125.698 -99.200 -91.000 TYR 76 0.840 19.532 60.828 129.248 -99.200 -91.000 TYR 79 0.840 19.707 71.439 123.645 -99.200 -91.000 PHE 90 1.000 27.931 75.604 123.092 -99.200 -91.000 TRP 93 1.040 27.390 61.488 122.238 -99.200 -91.000 TRP6 93 1.020 26.326 60.185 120.603 -99.200 -91.000 PHE 110 1.000 26.506 40.015 115.236 -99.200 -91.000 TYR 112 0.840 36.771 42.522 111.537 -99.200 -91.000 PHE 115 1.000 26.085 49.532 111.583 -99.200 -91.000 HIS 142 0.900 14.891 72.022 120.670 -99.200 -91.000 TYR 146 0.840 28.838 64.194 111.277 -99.200 -91.000 TYR 160 0.840 33.426 80.135 112.579 -99.200 -91.000 TRP 162 1.040 25.984 77.303 116.839 -99.200 -91.000 TRP6 162 1.020 25.340 75.114 117.408 -99.200 -91.000 PHE 171 1.000 18.622 75.018 111.431 -99.200 -91.000 TRP 172 1.040 11.821 68.244 115.537 -99.200 -91.000 TRP6 172 1.020 11.484 68.446 117.846 -99.200 -91.000 PHE 185 1.000 31.075 50.846 105.982 -99.200 -91.000 TYR 192 0.840 30.333 51.629 110.533 -99.200 -91.000 PHE 195 1.000 34.995 43.713 120.572 -99.200 -91.000 TYR 196 0.840 43.560 48.733 116.101 -99.200 -91.000 TRP 199 1.040 49.806 48.148 120.455 -99.200 -91.000 TRP6 199 1.020 49.327 48.377 122.734 -99.200 -91.000 HIS 201 0.900 51.109 56.984 118.675 -99.200 -91.000 PHE 202 1.000 52.525 53.130 111.844 -99.200 -91.000 TYR 208 0.840 44.841 46.948 123.693 -99.200 -91.000 PHE 210 1.000 36.231 50.126 122.300 -99.200 -91.000 PHE 220 1.000 29.869 70.965 118.860 -99.200 -91.000 PHE 221 1.000 22.147 67.173 119.899 -99.200 -91.000 HIS 223 0.900 17.290 75.513 124.034 -99.200 -91.000 TYR 239 0.840 15.561 57.125 121.061 -99.200 -91.000 PHE 240 1.000 23.736 56.264 116.636 -99.200 -91.000 HIS 244 0.900 19.555 49.799 103.826 -99.200 -91.000 TRP 248 1.040 31.975 39.945 107.026 -99.200 -91.000 TRP6 248 1.020 31.202 42.109 106.593 -99.200 -91.000 TYR 258 0.840 29.525 46.451 127.550 -99.200 -91.000 PHE 266 1.000 37.731 41.394 131.731 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ev111 GLY 1 HA2 -0.01 -0.02 0.15 -0.51 4.01 3.62 1ev111 GLY 1 HA3 -0.02 -0.02 0.11 -0.51 4.01 3.58 1ev111 ASP 2 H -0.02 0.23 0.04 -0.55 8.40 8.11 1ev111 ASP 2 HA -0.03 0.24 1.04 -0.75 4.63 5.14 1ev111 ASP 2 HB2 -0.02 0.09 -0.09 -0.04 2.71 2.65 1ev111 ASP 2 HB3 -0.03 -0.01 0.21 -0.04 2.70 2.83 1ev111 VAL 3 H -0.03 0.27 -0.03 -0.55 8.24 7.90 1ev111 VAL 3 HA -0.00 0.06 0.15 -0.75 4.13 3.58 1ev111 VAL 3 HB 0.04 -0.05 -0.15 -0.04 2.12 1.92 1ev111 VAL 3 HG13 -0.04 0.03 -0.06 -0.04 0.97 0.85 1ev111 VAL 3 HG23 -0.03 0.01 -0.07 -0.04 0.95 0.83 1ev111 GLN 4 H -0.10 0.01 -0.49 -0.55 8.47 7.35 1ev111 GLN 4 HA -0.81 0.14 0.89 -0.75 4.36 3.82 1ev111 GLN 4 HB2 -0.14 -0.02 0.02 -0.04 2.15 1.97 1ev111 GLN 4 HB3 -0.23 -0.01 0.00 -0.04 2.02 1.74 1ev111 GLN 4 HG2 -0.32 0.01 0.01 -0.04 2.40 2.06 1ev111 GLN 4 HG3 -0.15 0.01 -0.10 -0.04 2.39 2.10 1ev111 GLN 4 HE21 -0.01 0.01 -0.02 -0.04 6.97 6.91 1ev111 GLN 4 HE22 -0.01 -0.01 -0.02 -0.04 7.69 7.62 1ev111 ASN 5 H -0.08 0.43 -0.00 -0.55 8.53 8.33 1ev111 ASN 5 HA -0.04 0.04 0.77 -0.75 4.76 4.78 1ev111 ASN 5 HB2 -0.04 -0.05 0.09 -0.04 2.88 2.84 1ev111 ASN 5 HB3 -0.03 0.06 0.23 -0.04 2.79 3.01 1ev111 ASN 5 HD21 -0.01 0.02 -0.03 -0.04 7.03 6.97 1ev111 ASN 5 HD22 -0.01 -0.01 0.01 -0.04 7.74 7.68 1ev111 ALA 6 H -0.00 0.34 -0.07 -0.55 8.40 8.12 1ev111 ALA 6 HA 0.04 0.11 0.23 -0.75 4.34 3.96 1ev111 ALA 6 HB3 0.07 0.00 0.04 -0.04 1.41 1.48 1ev111 VAL 7 H 0.01 0.10 -0.26 -0.55 8.24 7.54 1ev111 VAL 7 HA 0.01 0.07 0.50 -0.75 4.13 3.96 1ev111 VAL 7 HB 0.01 -0.00 0.11 -0.04 2.12 2.19 1ev111 VAL 7 HG13 0.01 0.00 0.08 -0.04 0.97 1.01 1ev111 VAL 7 HG23 0.01 -0.01 -0.05 -0.04 0.95 0.87 1ev111 GLU 8 H 0.00 0.53 -0.49 -0.55 8.60 8.10 1ev111 GLU 8 HA 0.00 -0.05 0.39 -0.75 4.29 3.88 1ev111 GLU 8 HB2 -0.00 -0.03 -0.41 -0.04 2.09 1.61 1ev111 GLU 8 HB3 -0.01 -0.02 0.14 -0.04 1.99 2.06 1ev111 GLU 8 HG2 -0.00 -0.01 0.05 -0.04 2.34 2.34 1ev111 GLU 8 HG3 -0.00 0.05 0.25 -0.04 2.34 2.60 1ev111 GLY 9 H 0.00 0.06 0.03 -0.55 8.43 7.98 1ev111 GLY 9 HA2 -0.00 0.25 0.72 -0.51 4.01 4.47 1ev111 GLY 9 HA3 0.00 -0.05 0.31 -0.51 4.01 3.76 1ev111 ALA 10 H -0.00 0.18 0.02 -0.55 8.40 8.05 1ev111 ALA 10 HA -0.00 0.09 0.63 -0.75 4.34 4.30 1ev111 ALA 10 HB3 -0.01 0.04 -0.03 -0.04 1.41 1.38 1ev111 MET 11 H 0.00 0.17 0.06 -0.55 8.47 8.16 1ev111 MET 11 HA 0.00 0.07 0.74 -0.75 4.52 4.59 1ev111 MET 11 HB2 0.00 -0.01 0.05 -0.04 2.15 2.16 1ev111 MET 11 HB3 0.00 0.01 0.18 -0.04 2.03 2.18 1ev111 MET 11 HG2 0.01 0.01 -0.03 -0.04 2.63 2.58 1ev111 MET 11 HG3 0.01 -0.02 -0.18 -0.04 2.56 2.33 1ev111 MET 11 HE3 0.01 0.00 -0.04 -0.04 2.10 2.03 1ev111 VAL 12 H 0.00 0.23 0.15 -0.55 8.24 8.06 1ev111 VAL 12 HA 0.00 0.15 0.96 -0.75 4.13 4.49 1ev111 VAL 12 HB -0.00 -0.03 0.16 -0.04 2.12 2.21 1ev111 VAL 12 HG13 0.00 0.03 -0.04 -0.04 0.97 0.91 1ev111 VAL 12 HG23 -0.00 0.02 -0.28 -0.04 0.95 0.64 1ev111 ARG 13 H 0.01 0.14 0.04 -0.55 8.46 8.10 1ev111 ARG 13 HA 0.02 0.06 0.78 -0.75 4.34 4.45 1ev111 ARG 13 HB2 0.01 -0.05 0.08 -0.04 1.90 1.90 1ev111 ARG 13 HB3 0.01 0.22 0.13 -0.04 1.80 2.12 1ev111 ARG 13 HG2 0.02 0.11 -0.20 -0.04 1.67 1.56 1ev111 ARG 13 HG3 0.01 -0.14 -0.15 -0.04 1.67 1.35 1ev111 ARG 13 HD2 0.00 -0.03 -0.03 -0.04 3.22 3.13 1ev111 ARG 13 HD3 0.00 0.03 -0.01 -0.04 3.22 3.21 1ev111 VAL 14 H 0.04 0.60 0.26 -0.55 8.24 8.59 1ev111 VAL 14 HA 0.02 0.05 0.57 -0.75 4.13 4.03 1ev111 VAL 14 HB 0.07 0.05 0.09 -0.04 2.12 2.29 1ev111 VAL 14 HG13 0.06 -0.00 -0.05 -0.04 0.97 0.94 1ev111 VAL 14 HG23 0.05 -0.02 -0.13 -0.04 0.95 0.81 1ev111 ALA 15 H 0.02 0.09 0.14 -0.55 8.40 8.11 1ev111 ALA 15 HA 0.01 0.12 0.60 -0.75 4.34 4.32 1ev111 ALA 15 HB3 0.01 0.02 0.10 -0.04 1.41 1.50 1ev111 ASP 16 H 0.01 0.13 0.21 -0.55 8.40 8.20 1ev111 ASP 16 HA -0.01 -0.05 0.61 -0.75 4.63 4.42 1ev111 ASP 16 HB2 0.06 -0.04 0.04 -0.04 2.71 2.73 1ev111 ASP 16 HB3 0.05 0.25 0.07 -0.04 2.70 3.03 1ev111 THR 17 H -0.01 0.32 0.29 -0.55 8.28 8.33 1ev111 THR 17 HA 0.03 0.11 0.78 -0.75 4.39 4.56 1ev111 THR 17 HB 0.00 -0.28 0.25 -0.04 4.32 4.26 1ev111 THR 17 HG23 0.02 0.06 -0.04 -0.04 1.22 1.22 1ev111 VAL 18 H 0.05 0.17 0.22 -0.55 8.24 8.13 1ev111 VAL 18 HA 0.10 0.05 0.75 -0.75 4.13 4.28 1ev111 VAL 18 HB 0.02 -0.03 0.08 -0.04 2.12 2.15 1ev111 VAL 18 HG13 -0.02 0.03 -0.08 -0.04 0.97 0.87 1ev111 VAL 18 HG23 0.03 0.03 -0.01 -0.04 0.95 0.95 1ev111 GLN 19 H 0.01 0.05 0.02 -0.55 8.47 8.00 1ev111 GLN 19 HA 0.03 0.20 0.14 -0.75 4.36 3.99 1ev111 GLN 19 HB2 0.05 -0.11 -0.12 -0.04 2.15 1.93 1ev111 GLN 19 HB3 -0.01 -0.06 0.06 -0.04 2.02 1.97 1ev111 GLN 19 HG2 0.01 -0.03 -0.29 -0.04 2.40 2.05 1ev111 GLN 19 HG3 0.02 0.41 0.09 -0.04 2.39 2.88 1ev111 GLN 19 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.88 1ev111 GLN 19 HE22 0.01 0.02 -0.07 -0.04 7.69 7.60 1ev111 THR 20 H 0.02 0.22 0.29 -0.55 8.28 8.27 1ev111 THR 20 HA 0.00 0.15 1.04 -0.75 4.39 4.83 1ev111 THR 20 HB 0.01 -0.40 0.42 -0.04 4.32 4.31 1ev111 THR 20 HG23 0.01 0.10 0.03 -0.04 1.22 1.32 1ev111 SER 21 H 0.00 0.13 0.14 -0.55 8.46 8.18 1ev111 SER 21 HA 0.00 0.21 0.99 -0.75 4.49 4.94 1ev111 SER 21 HB2 -0.00 0.03 0.09 -0.04 3.95 4.03 1ev111 SER 21 HB3 0.00 -0.05 0.19 -0.04 3.93 4.02 1ev111 ALA 22 H 0.00 0.06 0.12 -0.55 8.40 8.03 1ev111 ALA 22 HA 0.00 0.11 0.59 -0.75 4.34 4.29 1ev111 ALA 22 HB3 0.00 0.00 0.09 -0.04 1.41 1.46 1ev111 THR 23 H 0.00 0.22 0.18 -0.55 8.28 8.13 1ev111 THR 23 HA 0.00 0.16 0.74 -0.75 4.39 4.54 1ev111 THR 23 HB 0.00 -0.10 0.01 -0.04 4.32 4.19 1ev111 THR 23 HG23 0.00 0.04 -0.21 -0.04 1.22 1.01 1ev111 ASN 24 H 0.00 0.23 -0.06 -0.55 8.53 8.15 1ev111 ASN 24 HA 0.00 0.12 0.56 -0.75 4.76 4.69 1ev111 ASN 24 HB2 0.00 0.04 -0.17 -0.04 2.88 2.71 1ev111 ASN 24 HB3 0.00 -0.03 0.17 -0.04 2.79 2.89 1ev111 ASN 24 HD21 0.00 -0.01 0.01 -0.04 7.03 6.99 1ev111 ASN 24 HD22 0.00 -0.01 0.00 -0.04 7.74 7.69 1ev111 SER 25 H 0.00 0.31 0.12 -0.55 8.46 8.34 1ev111 SER 25 HA 0.00 0.17 0.70 -0.75 4.49 4.60 1ev111 SER 25 HB2 -0.00 -0.07 0.20 -0.04 3.95 4.04 1ev111 SER 25 HB3 0.00 0.03 -0.27 -0.04 3.93 3.64 1ev111 GLU 26 H -0.00 0.14 0.16 -0.55 8.60 8.35 1ev111 GLU 26 HA -0.00 0.20 0.70 -0.75 4.29 4.43 1ev111 GLU 26 HB2 -0.00 -0.02 0.11 -0.04 2.09 2.15 1ev111 GLU 26 HB3 -0.00 0.02 0.13 -0.04 1.99 2.10 1ev111 GLU 26 HG2 -0.00 0.04 0.02 -0.04 2.34 2.36 1ev111 GLU 26 HG3 -0.00 -0.06 -0.04 -0.04 2.34 2.20 1ev111 ARG 27 H 0.00 0.02 -0.23 -0.55 8.46 7.70 1ev111 ARG 27 HA -0.00 0.14 0.81 -0.75 4.34 4.54 1ev111 ARG 27 HB2 0.00 0.03 0.01 -0.04 1.90 1.91 1ev111 ARG 27 HB3 -0.00 -0.02 0.02 -0.04 1.80 1.76 1ev111 ARG 27 HG2 0.00 -0.11 0.06 -0.04 1.67 1.59 1ev111 ARG 27 HG3 0.00 0.06 -0.01 -0.04 1.67 1.68 1ev111 ARG 27 HD2 0.00 0.03 -0.01 -0.04 3.22 3.19 1ev111 ARG 27 HD3 0.00 -0.03 0.01 -0.04 3.22 3.16 1ev111 VAL 28 H -0.00 0.16 0.13 -0.55 8.24 7.98 1ev111 VAL 28 HA 0.00 0.27 1.01 -0.75 4.13 4.66 1ev111 VAL 28 HB 0.00 -0.10 0.16 -0.04 2.12 2.13 1ev111 VAL 28 HG13 0.00 0.02 -0.22 -0.04 0.97 0.74 1ev111 VAL 28 HG23 -0.00 0.03 0.15 -0.04 0.95 1.09 1ev111 PRO 29 HA 0.01 0.08 0.24 -0.51 4.44 4.26 1ev111 PRO 29 HB2 0.01 0.01 -0.07 -0.04 2.28 2.19 1ev111 PRO 29 HB3 0.01 0.01 0.06 -0.04 2.02 2.06 1ev111 PRO 29 HG2 0.01 0.19 0.10 -0.04 2.03 2.29 1ev111 PRO 29 HG3 0.01 0.01 0.02 -0.04 2.03 2.03 1ev111 PRO 29 HD2 0.00 0.19 0.19 -0.04 3.68 4.02 1ev111 PRO 29 HD3 0.00 0.12 -0.33 -0.04 3.65 3.40 1ev111 ASN 30 H 0.01 0.12 -0.30 -0.55 8.53 7.81 1ev111 ASN 30 HA 0.01 0.22 0.99 -0.75 4.76 5.23 1ev111 ASN 30 HB2 0.01 -0.02 0.11 -0.04 2.88 2.95 1ev111 ASN 30 HB3 0.01 0.00 -0.08 -0.04 2.79 2.68 1ev111 ASN 30 HD21 0.00 0.00 -0.04 -0.04 7.03 6.96 1ev111 ASN 30 HD22 0.01 -0.02 -0.01 -0.04 7.74 7.68 1ev111 LEU 31 H 0.01 0.44 -0.19 -0.55 8.37 8.08 1ev111 LEU 31 HA 0.01 0.15 0.98 -0.75 4.35 4.73 1ev111 LEU 31 HB2 0.00 0.03 0.18 -0.04 1.64 1.82 1ev111 LEU 31 HB3 0.00 0.01 -0.00 -0.04 1.64 1.60 1ev111 LEU 31 HG 0.00 -0.05 -0.10 -0.04 1.64 1.45 1ev111 LEU 31 HD13 0.00 -0.00 -0.00 -0.04 0.93 0.89 1ev111 LEU 31 HD23 0.00 0.03 0.01 -0.04 0.89 0.89 1ev111 THR 32 H 0.01 0.22 0.09 -0.55 8.28 8.04 1ev111 THR 32 HA -0.01 0.18 0.75 -0.75 4.39 4.56 1ev111 THR 32 HB 0.01 0.11 -0.45 -0.04 4.32 3.96 1ev111 THR 32 HG23 0.03 -0.01 -0.22 -0.04 1.22 0.99 1ev111 ALA 33 H -0.00 0.21 0.05 -0.55 8.40 8.11 1ev111 ALA 33 HA 0.01 0.20 1.04 -0.75 4.34 4.83 1ev111 ALA 33 HB3 -0.00 0.02 0.04 -0.04 1.41 1.42 1ev111 VAL 34 H 0.02 0.23 0.08 -0.55 8.24 8.02 1ev111 VAL 34 HA 0.04 0.15 0.36 -0.75 4.13 3.92 1ev111 VAL 34 HB 0.01 -0.03 0.12 -0.04 2.12 2.18 1ev111 VAL 34 HG13 0.01 0.03 -0.06 -0.04 0.97 0.90 1ev111 VAL 34 HG23 0.02 0.02 0.05 -0.04 0.95 1.00 1ev111 GLU 35 H 0.01 0.03 -0.29 -0.55 8.60 7.80 1ev111 GLU 35 HA 0.01 0.07 0.30 -0.75 4.29 3.91 1ev111 GLU 35 HB2 0.01 -0.02 -0.00 -0.04 2.09 2.04 1ev111 GLU 35 HB3 0.01 0.05 0.00 -0.04 1.99 2.01 1ev111 GLU 35 HG2 0.01 0.03 0.01 -0.04 2.34 2.35 1ev111 GLU 35 HG3 0.01 0.03 0.04 -0.04 2.34 2.37 1ev111 THR 36 H 0.02 0.35 -0.28 -0.55 8.28 7.82 1ev111 THR 36 HA 0.02 0.02 0.32 -0.75 4.39 3.99 1ev111 THR 36 HB 0.06 -0.13 0.06 -0.04 4.32 4.26 1ev111 THR 36 HG23 -0.00 -0.00 0.01 -0.04 1.22 1.18 1ev111 GLY 37 H 0.04 0.54 -0.27 -0.55 8.43 8.20 1ev111 GLY 37 HA2 0.03 0.02 0.29 -0.51 4.01 3.84 1ev111 GLY 37 HA3 0.04 0.13 0.77 -0.51 4.01 4.44 1ev111 HIS 38 H 0.13 0.01 -0.18 -0.55 8.41 7.83 1ev111 HIS 38 HA 0.00 0.16 0.69 -0.75 4.63 4.73 1ev111 HIS 38 HB2 0.01 0.04 -0.10 -0.04 3.26 3.17 1ev111 HIS 38 HB3 0.00 -0.07 -0.01 -0.04 3.20 3.08 1ev111 HIS 38 HD2 0.01 0.01 -0.03 -0.04 6.97 6.91 1ev111 HIS 38 HE1 0.00 -0.16 -0.05 -0.04 7.75 7.50 1ev111 THR 39 H -0.36 0.16 0.12 -0.55 8.28 7.65 1ev111 THR 39 HA -0.05 0.13 0.74 -0.75 4.39 4.46 1ev111 THR 39 HB -0.17 -0.01 0.08 -0.04 4.32 4.18 1ev111 THR 39 HG23 -0.05 0.03 -0.08 -0.04 1.22 1.07 1ev111 SER 40 H 0.01 0.11 0.11 -0.55 8.46 8.15 1ev111 SER 40 HA 0.14 0.04 0.32 -0.75 4.49 4.25 1ev111 SER 40 HB2 0.05 0.01 0.09 -0.04 3.95 4.05 1ev111 SER 40 HB3 0.02 0.00 0.15 -0.04 3.93 4.06 1ev111 GLN 41 H 0.11 0.14 0.13 -0.55 8.47 8.30 1ev111 GLN 41 HA -0.00 0.20 0.71 -0.75 4.36 4.51 1ev111 GLN 41 HB2 0.06 -0.04 0.14 -0.04 2.15 2.27 1ev111 GLN 41 HB3 0.02 -0.01 0.18 -0.04 2.02 2.17 1ev111 GLN 41 HG2 0.01 0.06 0.07 -0.04 2.40 2.51 1ev111 GLN 41 HG3 0.03 -0.04 0.05 -0.04 2.39 2.39 1ev111 GLN 41 HE21 -0.08 -0.05 -0.15 -0.04 6.97 6.65 1ev111 GLN 41 HE22 -0.12 0.17 -0.56 -0.04 7.69 7.14 1ev111 ALA 42 H 0.02 0.15 -0.71 -0.55 8.40 7.32 1ev111 ALA 42 HA 0.02 0.05 0.56 -0.75 4.34 4.21 1ev111 ALA 42 HB3 0.02 0.02 -0.03 -0.04 1.41 1.38 1ev111 VAL 43 H 0.01 0.17 0.18 -0.55 8.24 8.06 1ev111 VAL 43 HA 0.01 0.21 0.69 -0.75 4.13 4.29 1ev111 VAL 43 HB 0.01 -0.04 0.09 -0.04 2.12 2.14 1ev111 VAL 43 HG13 0.01 -0.06 -0.00 -0.04 0.97 0.88 1ev111 VAL 43 HG23 0.01 0.06 -0.16 -0.04 0.95 0.82 1ev111 PRO 44 HA 0.01 0.06 0.40 -0.51 4.44 4.40 1ev111 PRO 44 HB2 0.01 0.03 0.03 -0.04 2.28 2.31 1ev111 PRO 44 HB3 0.01 0.05 0.11 -0.04 2.02 2.15 1ev111 PRO 44 HG2 0.01 0.04 0.09 -0.04 2.03 2.13 1ev111 PRO 44 HG3 0.01 0.08 0.08 -0.04 2.03 2.16 1ev111 PRO 44 HD2 0.01 0.12 0.21 -0.04 3.68 3.98 1ev111 PRO 44 HD3 0.01 0.22 0.16 -0.04 3.65 4.00 1ev111 GLY 45 H 0.01 0.11 -0.24 -0.55 8.43 7.76 1ev111 GLY 45 HA2 0.01 0.15 0.43 -0.51 4.01 4.09 1ev111 GLY 45 HA3 0.01 0.05 0.31 -0.51 4.01 3.87 1ev111 ASP 46 H 0.01 0.51 -0.34 -0.55 8.40 8.04 1ev111 ASP 46 HA 0.01 0.17 0.85 -0.75 4.63 4.90 1ev111 ASP 46 HB2 0.01 0.04 -0.00 -0.04 2.71 2.71 1ev111 ASP 46 HB3 0.01 -0.07 0.06 -0.04 2.70 2.66 1ev111 THR 47 H 0.01 0.36 0.02 -0.55 8.28 8.12 1ev111 THR 47 HA 0.01 0.13 0.82 -0.75 4.39 4.59 1ev111 THR 47 HB 0.01 0.03 0.10 -0.04 4.32 4.41 1ev111 THR 47 HG23 0.00 -0.01 -0.11 -0.04 1.22 1.06 1ev111 MET 48 H 0.01 0.49 0.23 -0.55 8.47 8.66 1ev111 MET 48 HA 0.00 0.24 1.03 -0.75 4.52 5.05 1ev111 MET 48 HB2 0.01 -0.07 -0.31 -0.04 2.15 1.74 1ev111 MET 48 HB3 0.01 0.00 -0.03 -0.04 2.03 1.97 1ev111 MET 48 HG2 0.00 0.00 -0.05 -0.04 2.63 2.54 1ev111 MET 48 HG3 0.00 -0.00 -0.18 -0.04 2.56 2.34 1ev111 MET 48 HE3 0.01 0.03 0.02 -0.04 2.10 2.12 1ev111 GLN 49 H 0.01 0.12 0.01 -0.55 8.47 8.07 1ev111 GLN 49 HA 0.01 0.15 0.96 -0.75 4.36 4.72 1ev111 GLN 49 HB2 0.01 0.27 0.04 -0.04 2.15 2.43 1ev111 GLN 49 HB3 0.00 0.03 -0.31 -0.04 2.02 1.70 1ev111 GLN 49 HG2 0.00 -0.04 0.04 -0.04 2.40 2.36 1ev111 GLN 49 HG3 0.01 -0.02 0.10 -0.04 2.39 2.42 1ev111 GLN 49 HE21 0.00 -0.08 0.02 -0.04 6.97 6.88 1ev111 GLN 49 HE22 0.01 0.13 0.01 -0.04 7.69 7.79 1ev111 THR 50 H 0.01 0.18 0.14 -0.55 8.28 8.06 1ev111 THR 50 HA 0.01 0.13 0.79 -0.75 4.39 4.57 1ev111 THR 50 HB 0.02 0.04 0.07 -0.04 4.32 4.41 1ev111 THR 50 HG23 0.01 -0.01 -0.17 -0.04 1.22 1.01 1ev111 ARG 51 H 0.02 0.06 0.06 -0.55 8.46 8.05 1ev111 ARG 51 HA 0.03 0.23 0.85 -0.75 4.34 4.70 1ev111 ARG 51 HB2 0.03 -0.05 0.13 -0.04 1.90 1.97 1ev111 ARG 51 HB3 0.01 0.03 0.04 -0.04 1.80 1.85 1ev111 ARG 51 HG2 0.00 -0.03 -0.02 -0.04 1.67 1.58 1ev111 ARG 51 HG3 0.00 -0.02 -0.42 -0.04 1.67 1.19 1ev111 ARG 51 HD2 -0.00 0.01 -0.02 -0.04 3.22 3.16 1ev111 ARG 51 HD3 -0.01 -0.02 -0.08 -0.04 3.22 3.07 1ev111 HIS 52 H 0.10 0.14 0.08 -0.55 8.41 8.19 1ev111 HIS 52 HA -0.01 0.51 1.01 -0.75 4.63 5.39 1ev111 HIS 52 HB2 -0.01 -0.07 0.07 -0.04 3.26 3.22 1ev111 HIS 52 HB3 -0.01 -0.05 0.19 -0.04 3.20 3.29 1ev111 HIS 52 HD2 -0.01 -0.02 -0.02 -0.04 6.97 6.87 1ev111 HIS 52 HE1 -0.01 -0.02 -0.14 -0.04 7.75 7.54 1ev111 VAL 53 H -0.04 0.40 0.20 -0.55 8.24 8.25 1ev111 VAL 53 HA -0.21 0.16 0.94 -0.75 4.13 4.27 1ev111 VAL 53 HB -0.06 -0.07 0.14 -0.04 2.12 2.10 1ev111 VAL 53 HG13 -0.09 -0.00 -0.16 -0.04 0.97 0.67 1ev111 VAL 53 HG23 -0.05 0.01 -0.20 -0.04 0.95 0.67 1ev111 ILE 54 H -0.21 0.21 0.09 -0.55 8.25 7.79 1ev111 ILE 54 HA -0.12 0.14 0.91 -0.75 4.18 4.36 1ev111 ILE 54 HB -0.12 -0.01 0.19 -0.04 1.89 1.91 1ev111 ILE 54 HG12 -0.11 0.05 -0.09 -0.04 1.49 1.30 1ev111 ILE 54 HG13 -0.44 -0.02 -0.18 -0.04 1.21 0.52 1ev111 ILE 54 HG23 -0.05 0.00 -0.11 -0.04 0.93 0.73 1ev111 ILE 54 HD13 -0.01 0.01 -0.02 -0.04 0.88 0.81 1ev111 ASN 55 H -0.07 0.20 -0.05 -0.55 8.53 8.07 1ev111 ASN 55 HA -0.22 0.08 0.65 -0.75 4.76 4.51 1ev111 ASN 55 HB2 -0.04 0.14 -0.24 -0.04 2.88 2.69 1ev111 ASN 55 HB3 -0.08 -0.09 -0.05 -0.04 2.79 2.52 1ev111 ASN 55 HD21 -0.02 -0.00 -0.04 -0.04 7.03 6.93 1ev111 ASN 55 HD22 -0.02 -0.05 -0.05 -0.04 7.74 7.58 1ev111 ASN 56 H -0.14 0.29 0.13 -0.55 8.53 8.26 1ev111 ASN 56 HA -0.02 0.21 0.82 -0.75 4.76 5.01 1ev111 ASN 56 HB2 -0.05 0.01 0.12 -0.04 2.88 2.92 1ev111 ASN 56 HB3 -0.01 -0.01 0.17 -0.04 2.79 2.90 1ev111 ASN 56 HD21 -0.02 -0.01 -0.04 -0.04 7.03 6.93 1ev111 ASN 56 HD22 -0.03 -0.00 0.01 -0.04 7.74 7.68 1ev111 HIS 57 H -0.09 -0.00 -0.55 -0.55 8.41 7.23 1ev111 HIS 57 HA -0.01 0.08 0.48 -0.75 4.63 4.43 1ev111 HIS 57 HB2 -0.01 -0.03 -0.00 -0.04 3.26 3.19 1ev111 HIS 57 HB3 -0.01 0.06 -0.06 -0.04 3.20 3.15 1ev111 HIS 57 HD2 -0.01 0.02 -0.03 -0.04 6.97 6.90 1ev111 HIS 57 HE1 -0.01 0.02 -0.02 -0.04 7.75 7.70 1ev111 VAL 58 H 0.06 0.18 0.22 -0.55 8.24 8.16 1ev111 VAL 58 HA 0.04 0.22 0.98 -0.75 4.13 4.62 1ev111 VAL 58 HB 0.03 0.08 -0.14 -0.04 2.12 2.05 1ev111 VAL 58 HG13 0.02 -0.05 0.01 -0.04 0.97 0.91 1ev111 VAL 58 HG23 0.01 0.06 -0.10 -0.04 0.95 0.88 1ev111 ARG 59 H 0.01 0.35 0.10 -0.55 8.46 8.37 1ev111 ARG 59 HA -0.01 0.11 0.62 -0.75 4.34 4.31 1ev111 ARG 59 HB2 -0.00 0.08 0.16 -0.04 1.90 2.10 1ev111 ARG 59 HB3 -0.01 0.01 0.15 -0.04 1.80 1.91 1ev111 ARG 59 HG2 -0.01 0.01 -0.05 -0.04 1.67 1.58 1ev111 ARG 59 HG3 0.01 -0.05 -0.10 -0.04 1.67 1.48 1ev111 ARG 59 HD2 -0.00 0.04 -0.01 -0.04 3.22 3.21 1ev111 ARG 59 HD3 -0.01 0.03 -0.01 -0.04 3.22 3.19 1ev111 SER 60 H 0.00 0.48 -0.47 -0.55 8.46 7.92 1ev111 SER 60 HA 0.00 0.07 0.25 -0.75 4.49 4.06 1ev111 SER 60 HB2 0.00 0.08 0.11 -0.04 3.95 4.10 1ev111 SER 60 HB3 0.00 -0.07 0.17 -0.04 3.93 4.00 1ev111 GLU 61 H 0.01 0.13 0.06 -0.55 8.60 8.25 1ev111 GLU 61 HA 0.03 0.09 0.42 -0.75 4.29 4.08 1ev111 GLU 61 HB2 0.01 -0.05 0.05 -0.04 2.09 2.07 1ev111 GLU 61 HB3 0.04 0.10 0.01 -0.04 1.99 2.09 1ev111 GLU 61 HG2 0.02 0.09 0.02 -0.04 2.34 2.44 1ev111 GLU 61 HG3 0.01 -0.09 0.02 -0.04 2.34 2.24 1ev111 SER 62 H 0.00 0.07 -0.61 -0.55 8.46 7.38 1ev111 SER 62 HA 0.01 0.24 0.84 -0.75 4.49 4.82 1ev111 SER 62 HB2 -0.05 0.02 0.07 -0.04 3.95 3.95 1ev111 SER 62 HB3 -0.03 -0.02 -0.03 -0.04 3.93 3.81 1ev111 THR 63 H 0.01 0.36 -0.11 -0.55 8.28 7.99 1ev111 THR 63 HA -0.02 0.05 0.58 -0.75 4.39 4.25 1ev111 THR 63 HB 0.01 -0.07 0.13 -0.04 4.32 4.36 1ev111 THR 63 HG23 -0.01 -0.06 -0.03 -0.04 1.22 1.08 1ev111 ILE 64 H -0.06 0.14 0.13 -0.55 8.25 7.91 1ev111 ILE 64 HA 0.03 0.14 0.16 -0.75 4.18 3.76 1ev111 ILE 64 HB -0.14 -0.04 0.04 -0.04 1.89 1.70 1ev111 ILE 64 HG12 -0.15 -0.05 0.12 -0.04 1.49 1.37 1ev111 ILE 64 HG13 -0.34 -0.01 0.01 -0.04 1.21 0.83 1ev111 ILE 64 HG23 -0.30 0.01 -0.16 -0.04 0.93 0.43 1ev111 ILE 64 HD13 -0.29 0.04 -0.03 -0.04 0.88 0.56 1ev111 GLU 65 H -0.03 0.05 -0.19 -0.55 8.60 7.88 1ev111 GLU 65 HA -0.03 0.08 0.40 -0.75 4.29 3.99 1ev111 GLU 65 HB2 -0.02 0.03 0.11 -0.04 2.09 2.18 1ev111 GLU 65 HB3 -0.01 -0.06 0.10 -0.04 1.99 1.98 1ev111 GLU 65 HG2 -0.00 0.02 -0.01 -0.04 2.34 2.31 1ev111 GLU 65 HG3 -0.02 0.07 -0.05 -0.04 2.34 2.29 1ev111 ASN 66 H 0.02 0.04 -0.13 -0.55 8.53 7.92 1ev111 ASN 66 HA 0.01 0.02 0.27 -0.75 4.76 4.30 1ev111 ASN 66 HB2 0.05 0.09 0.05 -0.04 2.88 3.02 1ev111 ASN 66 HB3 0.04 -0.01 0.03 -0.04 2.79 2.80 1ev111 ASN 66 HD21 0.01 -0.09 -0.01 -0.04 7.03 6.89 1ev111 ASN 66 HD22 0.01 0.46 0.11 -0.04 7.74 8.29 1ev111 PHE 67 H 0.19 0.45 -0.45 -0.55 8.34 7.98 1ev111 PHE 67 HA 0.01 0.02 0.54 -0.75 4.62 4.44 1ev111 PHE 67 HB2 0.02 0.01 -0.03 -0.04 3.15 3.11 1ev111 PHE 67 HB3 0.02 0.07 0.03 -0.04 3.06 3.14 1ev111 PHE 67 HD2 0.09 -0.01 -0.04 -0.04 7.28 7.28 1ev111 PHE 67 HE2 0.15 0.04 -0.03 -0.04 7.38 7.50 1ev111 PHE 67 HZ 0.04 -0.01 -0.01 -0.04 7.32 7.30 1ev111 LEU 68 H 0.06 0.65 0.10 -0.55 8.37 8.63 1ev111 LEU 68 HA -0.31 0.09 0.75 -0.75 4.35 4.12 1ev111 LEU 68 HB2 -0.08 0.05 0.11 -0.04 1.64 1.69 1ev111 LEU 68 HB3 -0.18 -0.08 0.06 -0.04 1.64 1.41 1ev111 LEU 68 HG 0.22 0.04 -0.03 -0.04 1.64 1.83 1ev111 LEU 68 HD13 -0.03 -0.03 -0.10 -0.04 0.93 0.73 1ev111 LEU 68 HD23 -0.05 0.02 -0.15 -0.04 0.89 0.67 1ev111 ALA 69 H -0.06 0.74 0.01 -0.55 8.40 8.54 1ev111 ALA 69 HA -0.10 0.07 0.35 -0.75 4.34 3.91 1ev111 ALA 69 HB3 -0.06 -0.04 0.09 -0.04 1.41 1.36 1ev111 ARG 70 H -0.10 0.59 -0.43 -0.55 8.46 7.97 1ev111 ARG 70 HA -0.04 0.05 0.80 -0.75 4.34 4.39 1ev111 ARG 70 HB2 -0.08 0.09 0.03 -0.04 1.90 1.89 1ev111 ARG 70 HB3 -0.05 -0.07 -0.03 -0.04 1.80 1.62 1ev111 ARG 70 HG2 -0.03 -0.01 0.02 -0.04 1.67 1.60 1ev111 ARG 70 HG3 -0.04 0.19 -0.24 -0.04 1.67 1.53 1ev111 ARG 70 HD2 -0.03 0.03 -0.02 -0.04 3.22 3.16 1ev111 ARG 70 HD3 -0.03 -0.07 -0.01 -0.04 3.22 3.06 1ev111 SER 71 H -0.03 0.08 0.02 -0.55 8.46 7.99 1ev111 SER 71 HA 0.03 0.24 0.40 -0.75 4.49 4.40 1ev111 SER 71 HB2 -0.01 -0.02 0.02 -0.04 3.95 3.89 1ev111 SER 71 HB3 -0.04 -0.05 0.09 -0.04 3.93 3.89 1ev111 ALA 72 H 0.06 0.60 0.44 -0.55 8.40 8.95 1ev111 ALA 72 HA 0.10 0.14 0.93 -0.75 4.34 4.76 1ev111 ALA 72 HB3 -0.01 0.02 0.12 -0.04 1.41 1.49 1ev111 CYS 73 H 0.03 0.11 0.18 -0.55 8.50 8.28 1ev111 CYS 73 HA -0.66 0.18 0.75 -0.75 4.58 4.09 1ev111 CYS 73 HB2 -0.32 0.01 0.09 -0.04 2.97 2.71 1ev111 CYS 73 HB3 -0.18 -0.05 0.12 -0.04 2.97 2.82 1ev111 VAL 74 H -0.49 0.63 0.43 -0.55 8.24 8.26 1ev111 VAL 74 HA -0.21 0.16 1.15 -0.75 4.13 4.48 1ev111 VAL 74 HB -0.22 0.06 0.10 -0.04 2.12 2.01 1ev111 VAL 74 HG13 -0.23 0.00 -0.06 -0.04 0.97 0.64 1ev111 VAL 74 HG23 -1.03 0.03 -0.07 -0.04 0.95 -0.15 1ev111 PHE 75 H -0.49 0.26 0.20 -0.55 8.34 7.76 1ev111 PHE 75 HA -0.54 0.05 0.42 -0.75 4.62 3.79 1ev111 PHE 75 HB2 -0.93 0.22 -0.21 -0.04 3.15 2.18 1ev111 PHE 75 HB3 -1.79 -0.07 -0.09 -0.04 3.06 1.07 1ev111 PHE 75 HD2 -0.82 -0.01 -0.08 -0.04 7.28 6.33 1ev111 PHE 75 HE2 -0.24 -0.03 -0.04 -0.04 7.38 7.02 1ev111 PHE 75 HZ -0.14 -0.03 0.05 -0.04 7.32 7.16 1ev111 TYR 76 H -1.47 0.22 0.17 -0.55 8.29 6.66 1ev111 TYR 76 HA -0.60 0.35 0.80 -0.75 4.56 4.34 1ev111 TYR 76 HB2 -0.39 0.04 -0.12 -0.04 3.06 2.55 1ev111 TYR 76 HB3 -0.43 -0.04 0.02 -0.04 2.98 2.49 1ev111 TYR 76 HD2 -0.35 -0.00 -0.25 -0.04 7.15 6.51 1ev111 TYR 76 HE2 -0.20 -0.01 -0.06 -0.04 6.85 6.54 1ev111 LEU 77 H -0.30 0.58 0.26 -0.55 8.37 8.36 1ev111 LEU 77 HA -0.20 0.16 0.91 -0.75 4.35 4.47 1ev111 LEU 77 HB2 -0.14 -0.02 -0.23 -0.04 1.64 1.21 1ev111 LEU 77 HB3 -0.44 -0.02 -0.01 -0.04 1.64 1.12 1ev111 LEU 77 HG 0.00 0.05 -0.16 -0.04 1.64 1.50 1ev111 LEU 77 HD13 0.22 -0.00 0.02 -0.04 0.93 1.13 1ev111 LEU 77 HD23 -0.03 -0.03 -0.34 -0.04 0.89 0.45 1ev111 GLU 78 H -0.00 0.18 0.18 -0.55 8.60 8.42 1ev111 GLU 78 HA -0.08 0.34 1.24 -0.75 4.29 5.04 1ev111 GLU 78 HB2 -0.04 -0.05 -0.15 -0.04 2.09 1.82 1ev111 GLU 78 HB3 -0.00 -0.02 0.06 -0.04 1.99 1.99 1ev111 GLU 78 HG2 -0.03 0.00 -0.16 -0.04 2.34 2.11 1ev111 GLU 78 HG3 -0.10 0.05 -0.13 -0.04 2.34 2.11 1ev111 TYR 79 H -0.26 0.69 0.33 -0.55 8.29 8.50 1ev111 TYR 79 HA 0.06 0.11 0.59 -0.75 4.56 4.57 1ev111 TYR 79 HB2 0.16 0.17 -0.29 -0.04 3.06 3.05 1ev111 TYR 79 HB3 0.08 0.05 -0.37 -0.04 2.98 2.70 1ev111 TYR 79 HD2 -0.09 0.04 -0.38 -0.04 7.15 6.69 1ev111 TYR 79 HE2 -0.35 -0.03 -0.31 -0.04 6.85 6.13 1ev111 LYS 80 H 0.19 0.59 0.26 -0.55 8.42 8.91 1ev111 LYS 80 HA 0.13 0.16 0.93 -0.75 4.32 4.78 1ev111 LYS 80 HB2 0.09 -0.00 -0.05 -0.04 1.87 1.87 1ev111 LYS 80 HB3 0.04 0.01 -0.00 -0.04 1.79 1.80 1ev111 LYS 80 HG2 0.02 -0.01 -0.15 -0.04 1.46 1.28 1ev111 LYS 80 HG3 0.05 -0.03 -0.08 -0.04 1.46 1.35 1ev111 LYS 80 HD2 0.03 -0.02 -0.05 -0.04 1.69 1.61 1ev111 LYS 80 HD3 0.02 -0.03 -0.07 -0.04 1.68 1.55 1ev111 LYS 80 HE2 0.01 -0.01 -0.09 -0.04 2.99 2.85 1ev111 LYS 80 HE3 0.02 0.02 -0.06 -0.04 2.99 2.92 1ev111 THR 81 H -0.09 0.23 0.31 -0.55 8.28 8.17 1ev111 THR 81 HA -0.34 0.18 0.83 -0.75 4.39 4.31 1ev111 THR 81 HB -0.14 -0.16 0.29 -0.04 4.32 4.27 1ev111 THR 81 HG23 -0.19 0.00 -0.05 -0.04 1.22 0.94 1ev111 GLY 82 H 0.04 0.30 0.20 -0.55 8.43 8.42 1ev111 GLY 82 HA2 0.02 0.12 0.70 -0.51 4.01 4.34 1ev111 GLY 82 HA3 0.06 -0.05 0.24 -0.51 4.01 3.75 1ev111 THR 83 H 0.05 0.04 0.15 -0.55 8.28 7.98 1ev111 THR 83 HA 0.04 0.35 1.00 -0.75 4.39 5.03 1ev111 THR 83 HB 0.04 -0.05 0.18 -0.04 4.32 4.44 1ev111 THR 83 HG23 0.02 0.04 -0.02 -0.04 1.22 1.23 1ev111 LYS 84 H 0.05 0.19 0.13 -0.55 8.42 8.24 1ev111 LYS 84 HA 0.08 0.02 0.36 -0.75 4.32 4.03 1ev111 LYS 84 HB2 0.05 -0.03 0.08 -0.04 1.87 1.94 1ev111 LYS 84 HB3 0.06 0.03 0.03 -0.04 1.79 1.88 1ev111 LYS 84 HG2 0.04 0.01 0.03 -0.04 1.46 1.50 1ev111 LYS 84 HG3 0.04 -0.01 0.11 -0.04 1.46 1.56 1ev111 LYS 84 HD2 0.04 0.00 0.00 -0.04 1.69 1.70 1ev111 LYS 84 HD3 0.04 0.06 0.02 -0.04 1.68 1.76 1ev111 LYS 84 HE2 0.03 -0.00 0.03 -0.04 2.99 3.01 1ev111 LYS 84 HE3 0.04 -0.03 0.00 -0.04 2.99 2.97 1ev111 GLU 85 H 0.06 0.01 -0.24 -0.55 8.60 7.88 1ev111 GLU 85 HA 0.07 0.10 0.28 -0.75 4.29 3.99 1ev111 GLU 85 HB2 0.05 -0.05 0.01 -0.04 2.09 2.06 1ev111 GLU 85 HB3 0.05 0.03 0.00 -0.04 1.99 2.03 1ev111 GLU 85 HG2 0.03 0.03 0.01 -0.04 2.34 2.38 1ev111 GLU 85 HG3 0.04 0.04 0.02 -0.04 2.34 2.40 1ev111 ASP 86 H 0.09 0.28 -0.41 -0.55 8.40 7.81 1ev111 ASP 86 HA 0.08 0.08 0.70 -0.75 4.63 4.74 1ev111 ASP 86 HB2 0.10 0.11 0.18 -0.04 2.71 3.06 1ev111 ASP 86 HB3 0.09 -0.02 -0.02 -0.04 2.70 2.71 1ev111 SER 87 H 0.09 0.21 0.22 -0.55 8.46 8.44 1ev111 SER 87 HA 0.19 0.13 0.45 -0.75 4.49 4.51 1ev111 SER 87 HB2 0.08 0.04 0.18 -0.04 3.95 4.21 1ev111 SER 87 HB3 0.06 -0.09 0.19 -0.04 3.93 4.04 1ev111 ASN 88 H 0.07 0.01 -0.14 -0.55 8.53 7.93 1ev111 ASN 88 HA 0.03 0.24 0.54 -0.75 4.76 4.82 1ev111 ASN 88 HB2 0.07 -0.05 0.12 -0.04 2.88 2.98 1ev111 ASN 88 HB3 0.04 0.02 0.11 -0.04 2.79 2.92 1ev111 ASN 88 HD21 0.05 -0.01 0.03 -0.04 7.03 7.05 1ev111 ASN 88 HD22 0.04 0.04 0.04 -0.04 7.74 7.82 1ev111 SER 89 H 0.20 0.48 -0.54 -0.55 8.46 8.06 1ev111 SER 89 HA 0.23 0.20 0.63 -0.75 4.49 4.80 1ev111 SER 89 HB2 0.19 -0.05 0.08 -0.04 3.95 4.13 1ev111 SER 89 HB3 0.16 -0.21 0.01 -0.04 3.93 3.84 1ev111 PHE 90 H 0.28 0.30 -0.07 -0.55 8.34 8.30 1ev111 PHE 90 HA 0.12 0.18 0.66 -0.75 4.62 4.82 1ev111 PHE 90 HB2 0.30 0.16 0.18 -0.04 3.15 3.76 1ev111 PHE 90 HB3 0.17 -0.09 -0.11 -0.04 3.06 2.98 1ev111 PHE 90 HD2 0.42 -0.03 -0.12 -0.04 7.28 7.51 1ev111 PHE 90 HE2 0.32 0.05 -0.13 -0.04 7.38 7.58 1ev111 PHE 90 HZ 0.19 0.07 -0.32 -0.04 7.32 7.22 1ev111 ASN 91 H 0.30 0.62 0.35 -0.55 8.53 9.26 1ev111 ASN 91 HA -0.20 0.10 0.68 -0.75 4.76 4.59 1ev111 ASN 91 HB2 0.12 0.12 -0.42 -0.04 2.88 2.66 1ev111 ASN 91 HB3 0.10 -0.10 -0.12 -0.04 2.79 2.63 1ev111 ASN 91 HD21 0.03 -0.11 0.14 -0.04 7.03 7.05 1ev111 ASN 91 HD22 0.07 0.61 0.23 -0.04 7.74 8.61 1ev111 ASN 92 H -0.04 0.22 0.23 -0.55 8.53 8.39 1ev111 ASN 92 HA 0.02 0.27 0.80 -0.75 4.76 5.10 1ev111 ASN 92 HB2 -1.07 -0.00 -0.04 -0.04 2.88 1.73 1ev111 ASN 92 HB3 -1.38 0.04 -0.15 -0.04 2.79 1.26 1ev111 ASN 92 HD21 -0.11 -0.03 -0.13 -0.04 7.03 6.72 1ev111 ASN 92 HD22 -0.34 0.00 -0.24 -0.04 7.74 7.12 1ev111 TRP 93 H 0.09 0.61 0.24 -0.55 7.97 8.36 1ev111 TRP 93 HA -0.16 0.14 0.88 -0.75 4.62 4.73 1ev111 TRP 93 HB2 0.07 0.03 -0.16 -0.04 3.23 3.13 1ev111 TRP 93 HB3 0.12 -0.03 0.05 -0.04 3.23 3.33 1ev111 TRP 93 HD1 -0.78 -0.03 0.07 -0.04 7.22 6.44 1ev111 TRP 93 HE1 -0.85 -0.02 0.01 -0.04 10.20 9.30 1ev111 TRP 93 HE3 0.12 -0.02 -0.12 -0.04 7.59 7.53 1ev111 TRP 93 HZ2 -0.24 0.26 0.08 -0.04 7.44 7.50 1ev111 TRP 93 HZ3 0.01 0.02 -0.14 -0.04 7.13 6.98 1ev111 TRP 93 HH2 -0.32 0.05 -0.12 -0.04 7.19 6.76 1ev111 VAL 94 H -0.28 0.16 0.07 -0.55 8.24 7.63 1ev111 VAL 94 HA -0.38 0.14 0.75 -0.75 4.13 3.88 1ev111 VAL 94 HB -0.27 -0.04 0.14 -0.04 2.12 1.90 1ev111 VAL 94 HG13 -0.23 0.02 -0.12 -0.04 0.97 0.61 1ev111 VAL 94 HG23 -0.14 -0.01 -0.05 -0.04 0.95 0.71 1ev111 ILE 95 H -0.54 0.56 0.29 -0.55 8.25 8.01 1ev111 ILE 95 HA -2.34 -0.05 0.27 -0.75 4.18 1.30 1ev111 ILE 95 HB -0.28 0.06 -0.01 -0.04 1.89 1.62 1ev111 ILE 95 HG12 -0.39 -0.04 -0.10 -0.04 1.49 0.92 1ev111 ILE 95 HG13 -0.40 0.01 0.07 -0.04 1.21 0.85 1ev111 ILE 95 HG23 -0.07 -0.02 -0.19 -0.04 0.93 0.62 1ev111 ILE 95 HD13 0.04 0.02 -0.28 -0.04 0.88 0.62 1ev111 THR 96 H -0.59 0.19 0.15 -0.55 8.28 7.48 1ev111 THR 96 HA -0.08 0.08 0.57 -0.75 4.39 4.21 1ev111 THR 96 HB -0.13 0.19 -0.08 -0.04 4.32 4.26 1ev111 THR 96 HG23 -0.02 0.06 -0.04 -0.04 1.22 1.17 1ev111 THR 97 H 0.01 0.21 0.12 -0.55 8.28 8.08 1ev111 THR 97 HA 0.10 0.10 0.58 -0.75 4.39 4.42 1ev111 THR 97 HB -0.07 0.02 0.13 -0.04 4.32 4.37 1ev111 THR 97 HG23 -0.06 0.01 -0.12 -0.04 1.22 1.01 1ev111 ARG 98 H -0.06 0.08 -0.10 -0.55 8.46 7.84 1ev111 ARG 98 HA -0.20 0.13 0.16 -0.75 4.34 3.67 1ev111 ARG 98 HB2 0.01 0.11 0.10 -0.04 1.90 2.08 1ev111 ARG 98 HB3 -0.12 0.05 0.16 -0.04 1.80 1.85 1ev111 ARG 98 HG2 -0.17 -0.12 0.10 -0.04 1.67 1.43 1ev111 ARG 98 HG3 -0.38 0.08 0.03 -0.04 1.67 1.35 1ev111 ARG 98 HD2 -0.64 0.06 -0.01 -0.04 3.22 2.59 1ev111 ARG 98 HD3 -0.32 -0.07 -0.14 -0.04 3.22 2.65 1ev111 ARG 99 H 0.01 0.17 -0.57 -0.55 8.46 7.52 1ev111 ARG 99 HA 0.01 -0.00 0.53 -0.75 4.34 4.13 1ev111 ARG 99 HB2 0.11 0.00 0.07 -0.04 1.90 2.04 1ev111 ARG 99 HB3 0.06 0.26 0.13 -0.04 1.80 2.21 1ev111 ARG 99 HG2 -0.00 -0.02 0.06 -0.04 1.67 1.67 1ev111 ARG 99 HG3 0.12 -0.03 0.07 -0.04 1.67 1.79 1ev111 ARG 99 HD2 0.03 -0.04 0.01 -0.04 3.22 3.19 1ev111 ARG 99 HD3 0.03 0.02 0.00 -0.04 3.22 3.23 1ev111 VAL 100 H -0.05 0.21 0.08 -0.55 8.24 7.92 1ev111 VAL 100 HA -0.05 0.20 1.00 -0.75 4.13 4.52 1ev111 VAL 100 HB -0.06 -0.23 0.08 -0.04 2.12 1.86 1ev111 VAL 100 HG13 -0.12 0.10 -0.09 -0.04 0.97 0.82 1ev111 VAL 100 HG23 -0.08 0.05 0.13 -0.04 0.95 1.00 1ev111 ALA 101 H -0.01 0.10 0.15 -0.55 8.40 8.09 1ev111 ALA 101 HA 0.03 0.21 0.45 -0.75 4.34 4.27 1ev111 ALA 101 HB3 0.12 0.01 0.10 -0.04 1.41 1.60 1ev111 GLN 102 H 0.01 0.05 0.06 -0.55 8.47 8.04 1ev111 GLN 102 HA 0.05 0.13 0.29 -0.75 4.36 4.08 1ev111 GLN 102 HB2 -0.01 -0.04 0.19 -0.04 2.15 2.25 1ev111 GLN 102 HB3 -0.01 0.09 0.03 -0.04 2.02 2.09 1ev111 GLN 102 HG2 0.02 0.05 0.03 -0.04 2.40 2.46 1ev111 GLN 102 HG3 0.01 -0.06 0.09 -0.04 2.39 2.39 1ev111 GLN 102 HE21 0.00 0.01 0.01 -0.04 6.97 6.96 1ev111 GLN 102 HE22 0.01 -0.00 0.02 -0.04 7.69 7.67 1ev111 LEU 103 H -0.03 0.13 -0.00 -0.55 8.37 7.92 1ev111 LEU 103 HA -0.04 0.10 0.43 -0.75 4.35 4.09 1ev111 LEU 103 HB2 -0.03 0.01 0.10 -0.04 1.64 1.67 1ev111 LEU 103 HB3 -0.03 0.03 0.05 -0.04 1.64 1.65 1ev111 LEU 103 HG -0.01 -0.04 -0.13 -0.04 1.64 1.42 1ev111 LEU 103 HD13 -0.07 0.02 0.10 -0.04 0.93 0.94 1ev111 LEU 103 HD23 0.07 0.01 -0.03 -0.04 0.89 0.89 1ev111 ARG 104 H -0.06 0.14 -0.41 -0.55 8.46 7.58 1ev111 ARG 104 HA -0.08 -0.03 0.34 -0.75 4.34 3.81 1ev111 ARG 104 HB2 -0.21 0.19 0.07 -0.04 1.90 1.91 1ev111 ARG 104 HB3 -0.28 0.10 0.11 -0.04 1.80 1.69 1ev111 ARG 104 HG2 -0.32 -0.02 -0.19 -0.04 1.67 1.10 1ev111 ARG 104 HG3 -0.30 -0.11 -0.07 -0.04 1.67 1.15 1ev111 ARG 104 HD2 -0.47 0.02 0.01 -0.04 3.22 2.75 1ev111 ARG 104 HD3 -1.53 0.00 -0.04 -0.04 3.22 1.60 1ev111 ARG 105 H 0.12 0.50 -0.09 -0.55 8.46 8.43 1ev111 ARG 105 HA 0.23 -0.01 0.31 -0.75 4.34 4.12 1ev111 ARG 105 HB2 0.23 0.08 0.14 -0.04 1.90 2.31 1ev111 ARG 105 HB3 0.11 0.03 0.06 -0.04 1.80 1.96 1ev111 ARG 105 HG2 0.07 -0.01 -0.02 -0.04 1.67 1.66 1ev111 ARG 105 HG3 0.11 -0.10 0.10 -0.04 1.67 1.74 1ev111 ARG 105 HD2 -0.03 0.20 0.02 -0.04 3.22 3.37 1ev111 ARG 105 HD3 0.03 -0.02 -0.01 -0.04 3.22 3.18 1ev111 LYS 106 H 0.05 0.32 -0.24 -0.55 8.42 8.00 1ev111 LYS 106 HA 0.22 0.02 0.38 -0.75 4.32 4.18 1ev111 LYS 106 HB2 -0.05 0.09 0.21 -0.04 1.87 2.08 1ev111 LYS 106 HB3 -0.14 -0.01 -0.02 -0.04 1.79 1.58 1ev111 LYS 106 HG2 -0.02 -0.03 0.01 -0.04 1.46 1.38 1ev111 LYS 106 HG3 -0.00 0.04 0.04 -0.04 1.46 1.50 1ev111 LYS 106 HD2 -0.17 -0.08 -0.02 -0.04 1.69 1.38 1ev111 LYS 106 HD3 -0.17 -0.06 -0.01 -0.04 1.68 1.40 1ev111 LYS 106 HE2 -0.75 -0.03 -0.04 -0.04 2.99 2.13 1ev111 LYS 106 HE3 -1.32 -0.05 -0.02 -0.04 2.99 1.56 1ev111 LEU 107 H 0.06 0.59 0.01 -0.55 8.37 8.49 1ev111 LEU 107 HA 0.30 0.00 0.36 -0.75 4.35 4.26 1ev111 LEU 107 HB2 0.04 0.05 0.15 -0.04 1.64 1.83 1ev111 LEU 107 HB3 0.14 -0.06 0.01 -0.04 1.64 1.69 1ev111 LEU 107 HG 0.02 0.20 0.04 -0.04 1.64 1.86 1ev111 LEU 107 HD13 0.07 -0.04 -0.06 -0.04 0.93 0.86 1ev111 LEU 107 HD23 0.00 -0.01 -0.04 -0.04 0.89 0.79 1ev111 GLU 108 H 0.06 0.62 -0.07 -0.55 8.60 8.67 1ev111 GLU 108 HA 0.11 0.06 0.26 -0.75 4.29 3.97 1ev111 GLU 108 HB2 0.15 0.09 0.05 -0.04 2.09 2.34 1ev111 GLU 108 HB3 0.37 -0.07 0.05 -0.04 1.99 2.30 1ev111 GLU 108 HG2 -0.34 -0.04 0.02 -0.04 2.34 1.94 1ev111 GLU 108 HG3 -0.10 0.08 0.08 -0.04 2.34 2.36 1ev111 MET 109 H -0.07 0.38 -0.64 -0.55 8.47 7.60 1ev111 MET 109 HA -0.19 0.06 0.52 -0.75 4.52 4.15 1ev111 MET 109 HB2 -0.68 0.23 0.08 -0.04 2.15 1.74 1ev111 MET 109 HB3 -0.81 -0.13 0.08 -0.04 2.03 1.13 1ev111 MET 109 HG2 -0.15 -0.04 -0.01 -0.04 2.63 2.39 1ev111 MET 109 HG3 -0.06 0.24 0.06 -0.04 2.56 2.76 1ev111 MET 109 HE3 0.24 0.00 -0.03 -0.04 2.10 2.27 1ev111 PHE 110 H 0.01 0.54 -0.25 -0.55 8.34 8.08 1ev111 PHE 110 HA 0.09 0.16 0.79 -0.75 4.62 4.90 1ev111 PHE 110 HB2 0.15 0.01 -0.03 -0.04 3.15 3.24 1ev111 PHE 110 HB3 0.13 -0.05 -0.03 -0.04 3.06 3.07 1ev111 PHE 110 HD2 0.09 0.06 -0.07 -0.04 7.28 7.31 1ev111 PHE 110 HE2 0.14 0.00 -0.07 -0.04 7.38 7.41 1ev111 PHE 110 HZ -0.08 -0.03 -0.06 -0.04 7.32 7.11 1ev111 THR 111 H 0.17 0.72 0.36 -0.55 8.28 8.98 1ev111 THR 111 HA 0.21 0.02 0.54 -0.75 4.39 4.40 1ev111 THR 111 HB -0.43 -0.04 0.13 -0.04 4.32 3.94 1ev111 THR 111 HG23 -0.48 -0.05 -0.03 -0.04 1.22 0.62 1ev111 TYR 112 H 0.27 0.52 0.20 -0.55 8.29 8.73 1ev111 TYR 112 HA 0.23 0.29 1.09 -0.75 4.56 5.42 1ev111 TYR 112 HB2 0.40 -0.11 0.03 -0.04 3.06 3.34 1ev111 TYR 112 HB3 0.14 0.02 -0.07 -0.04 2.98 3.02 1ev111 TYR 112 HD2 0.12 0.03 -0.08 -0.04 7.15 7.18 1ev111 TYR 112 HE2 0.07 -0.00 -0.06 -0.04 6.85 6.82 1ev111 LEU 113 H 0.42 0.66 0.23 -0.55 8.37 9.14 1ev111 LEU 113 HA 0.34 0.24 1.06 -0.75 4.35 5.24 1ev111 LEU 113 HB2 0.38 0.02 -0.30 -0.04 1.64 1.69 1ev111 LEU 113 HB3 0.47 -0.08 -0.01 -0.04 1.64 1.97 1ev111 LEU 113 HG 0.58 -0.04 -0.11 -0.04 1.64 2.03 1ev111 LEU 113 HD13 0.10 0.04 -0.03 -0.04 0.93 1.00 1ev111 LEU 113 HD23 0.42 0.03 -0.08 -0.04 0.89 1.21 1ev111 ARG 114 H 0.18 0.74 0.35 -0.55 8.46 9.17 1ev111 ARG 114 HA -0.37 0.06 1.02 -0.75 4.34 4.30 1ev111 ARG 114 HB2 -0.13 0.01 0.06 -0.04 1.90 1.80 1ev111 ARG 114 HB3 0.17 -0.03 0.20 -0.04 1.80 2.10 1ev111 ARG 114 HG2 -0.37 -0.01 -0.17 -0.04 1.67 1.09 1ev111 ARG 114 HG3 -1.62 -0.02 0.00 -0.04 1.67 -0.01 1ev111 ARG 114 HD2 -0.80 0.23 0.03 -0.04 3.22 2.64 1ev111 ARG 114 HD3 -0.11 -0.05 0.03 -0.04 3.22 3.05 1ev111 PHE 115 H -0.30 0.23 0.14 -0.55 8.34 7.84 1ev111 PHE 115 HA 0.04 0.25 0.57 -0.75 4.62 4.73 1ev111 PHE 115 HB2 0.06 0.29 -0.05 -0.04 3.15 3.41 1ev111 PHE 115 HB3 0.05 -0.08 -0.28 -0.04 3.06 2.71 1ev111 PHE 115 HD2 0.14 0.04 -0.47 -0.04 7.28 6.95 1ev111 PHE 115 HE2 0.04 -0.00 -0.16 -0.04 7.38 7.21 1ev111 PHE 115 HZ -0.11 -0.02 -0.11 -0.04 7.32 7.04 1ev111 ASP 116 H 0.27 0.48 0.20 -0.55 8.40 8.80 1ev111 ASP 116 HA 0.23 0.19 0.71 -0.75 4.63 5.00 1ev111 ASP 116 HB2 0.20 -0.02 -0.04 -0.04 2.71 2.81 1ev111 ASP 116 HB3 0.16 0.07 0.08 -0.04 2.70 2.97 1ev111 MET 117 H 0.09 0.55 0.30 -0.55 8.47 8.87 1ev111 MET 117 HA -0.00 0.23 1.15 -0.75 4.52 5.14 1ev111 MET 117 HB2 0.17 0.03 -0.37 -0.04 2.15 1.95 1ev111 MET 117 HB3 -0.05 -0.03 -0.00 -0.04 2.03 1.90 1ev111 MET 117 HG2 -0.20 -0.00 -0.43 -0.04 2.63 1.96 1ev111 MET 117 HG3 -0.15 0.01 -0.33 -0.04 2.56 2.05 1ev111 MET 117 HE3 -0.12 0.01 -0.21 -0.04 2.10 1.73 1ev111 GLU 118 H -0.04 0.61 0.29 -0.55 8.60 8.92 1ev111 GLU 118 HA 0.00 0.28 1.10 -0.75 4.29 4.92 1ev111 GLU 118 HB2 -0.03 -0.04 0.07 -0.04 2.09 2.05 1ev111 GLU 118 HB3 -0.01 -0.05 0.18 -0.04 1.99 2.08 1ev111 GLU 118 HG2 0.02 0.04 -0.24 -0.04 2.34 2.11 1ev111 GLU 118 HG3 0.01 0.01 -0.06 -0.04 2.34 2.25 1ev111 ILE 119 H 0.03 0.60 0.25 -0.55 8.25 8.59 1ev111 ILE 119 HA 0.21 0.38 1.14 -0.75 4.18 5.16 1ev111 ILE 119 HB 0.08 -0.09 0.09 -0.04 1.89 1.93 1ev111 ILE 119 HG12 0.01 0.01 -0.19 -0.04 1.49 1.29 1ev111 ILE 119 HG13 -0.03 0.02 -0.24 -0.04 1.21 0.92 1ev111 ILE 119 HG23 0.31 0.01 -0.18 -0.04 0.93 1.03 1ev111 ILE 119 HD13 0.01 -0.01 -0.14 -0.04 0.88 0.70 1ev111 THR 120 H 0.17 0.43 0.22 -0.55 8.28 8.55 1ev111 THR 120 HA 0.03 0.34 1.11 -0.75 4.39 5.11 1ev111 THR 120 HB 0.02 -0.08 -0.02 -0.04 4.32 4.20 1ev111 THR 120 HG23 -0.07 0.01 -0.17 -0.04 1.22 0.95 1ev111 VAL 121 H -0.06 0.61 0.15 -0.55 8.24 8.39 1ev111 VAL 121 HA 0.11 0.28 1.04 -0.75 4.13 4.81 1ev111 VAL 121 HB 0.09 -0.01 -0.26 -0.04 2.12 1.90 1ev111 VAL 121 HG13 -0.08 0.01 -0.05 -0.04 0.97 0.81 1ev111 VAL 121 HG23 0.05 -0.01 -0.36 -0.04 0.95 0.59 1ev111 VAL 122 H 0.11 0.51 0.21 -0.55 8.24 8.52 1ev111 VAL 122 HA -0.24 0.11 0.84 -0.75 4.13 4.08 1ev111 VAL 122 HB 0.11 -0.03 0.24 -0.04 2.12 2.39 1ev111 VAL 122 HG13 -0.06 0.00 -0.08 -0.04 0.97 0.79 1ev111 VAL 122 HG23 -0.13 0.01 -0.05 -0.04 0.95 0.74 1ev111 ILE 123 H -0.59 0.25 0.14 -0.55 8.25 7.51 1ev111 ILE 123 HA -0.19 0.20 1.01 -0.75 4.18 4.43 1ev111 ILE 123 HB -0.52 0.00 0.05 -0.04 1.89 1.38 1ev111 ILE 123 HG12 -0.11 -0.04 -0.20 -0.04 1.49 1.10 1ev111 ILE 123 HG13 -0.45 0.04 -0.22 -0.04 1.21 0.53 1ev111 ILE 123 HG23 -0.37 -0.00 -0.31 -0.04 0.93 0.21 1ev111 ILE 123 HD13 -0.05 0.01 -0.14 -0.04 0.88 0.66 1ev111 THR 124 H -0.13 0.68 0.27 -0.55 8.28 8.55 1ev111 THR 124 HA 0.04 0.19 1.03 -0.75 4.39 4.90 1ev111 THR 124 HB -0.10 -0.03 0.08 -0.04 4.32 4.23 1ev111 THR 124 HG23 -0.02 0.02 0.00 -0.04 1.22 1.18 1ev111 SER 125 H 0.06 0.15 0.20 -0.55 8.46 8.33 1ev111 SER 125 HA 0.00 0.38 1.49 -0.75 4.49 5.61 1ev111 SER 125 HB2 0.10 -0.06 0.05 -0.04 3.95 4.00 1ev111 SER 125 HB3 0.07 0.01 -0.05 -0.04 3.93 3.92 1ev111 SER 126 H -0.00 0.71 0.34 -0.55 8.46 8.96 1ev111 SER 126 HA -0.00 0.13 0.79 -0.75 4.49 4.65 1ev111 SER 126 HB2 -0.02 0.04 0.00 -0.04 3.95 3.93 1ev111 SER 126 HB3 -0.03 0.04 -0.06 -0.04 3.93 3.84 1ev111 GLN 127 H -0.01 0.14 0.15 -0.55 8.47 8.20 1ev111 GLN 127 HA -0.01 0.09 0.73 -0.75 4.36 4.42 1ev111 GLN 127 HB2 -0.01 0.00 0.14 -0.04 2.15 2.25 1ev111 GLN 127 HB3 -0.01 -0.06 0.16 -0.04 2.02 2.07 1ev111 GLN 127 HG2 -0.01 0.05 0.07 -0.04 2.40 2.47 1ev111 GLN 127 HG3 -0.01 0.08 -0.23 -0.04 2.39 2.20 1ev111 GLN 127 HE21 -0.02 -0.02 -0.25 -0.04 6.97 6.65 1ev111 GLN 127 HE22 -0.01 0.38 0.08 -0.04 7.69 8.10 1ev111 ASP 128 H -0.01 0.60 0.37 -0.55 8.40 8.81 1ev111 ASP 128 HA -0.01 0.04 0.60 -0.75 4.63 4.50 1ev111 ASP 128 HB2 -0.01 0.07 0.05 -0.04 2.71 2.78 1ev111 ASP 128 HB3 -0.01 0.02 -0.01 -0.04 2.70 2.66 1ev111 GLN 129 H -0.01 0.09 0.15 -0.55 8.47 8.16 1ev111 GLN 129 HA -0.01 0.09 0.64 -0.75 4.36 4.32 1ev111 GLN 129 HB2 -0.01 -0.01 0.04 -0.04 2.15 2.13 1ev111 GLN 129 HB3 -0.01 0.05 0.12 -0.04 2.02 2.14 1ev111 GLN 129 HG2 -0.01 -0.03 0.16 -0.04 2.40 2.49 1ev111 GLN 129 HG3 -0.00 -0.02 0.05 -0.04 2.39 2.38 1ev111 GLN 129 HE21 -0.01 0.01 0.02 -0.04 6.97 6.94 1ev111 GLN 129 HE22 -0.01 0.02 0.04 -0.04 7.69 7.70 1ev111 SER 130 H -0.01 0.29 0.25 -0.55 8.46 8.44 1ev111 SER 130 HA -0.00 0.12 0.47 -0.75 4.49 4.32 1ev111 SER 130 HB2 -0.00 0.18 0.05 -0.04 3.95 4.14 1ev111 SER 130 HB3 -0.01 0.11 -0.17 -0.04 3.93 3.83 1ev111 THR 131 H -0.00 0.21 0.14 -0.55 8.28 8.08 1ev111 THR 131 HA -0.00 0.10 0.44 -0.75 4.39 4.17 1ev111 THR 131 HB -0.00 0.03 0.02 -0.04 4.32 4.33 1ev111 THR 131 HG23 -0.00 0.02 0.04 -0.04 1.22 1.24 1ev111 SER 132 H -0.00 0.05 -0.30 -0.55 8.46 7.66 1ev111 SER 132 HA -0.00 0.19 0.59 -0.75 4.49 4.51 1ev111 SER 132 HB2 -0.01 0.05 -0.18 -0.04 3.95 3.77 1ev111 SER 132 HB3 -0.01 -0.04 -0.00 -0.04 3.93 3.84 1ev111 GLN 133 H -0.01 0.60 -0.29 -0.55 8.47 8.23 1ev111 GLN 133 HA -0.01 0.07 0.30 -0.75 4.36 3.96 1ev111 GLN 133 HB2 -0.01 0.03 0.12 -0.04 2.15 2.25 1ev111 GLN 133 HB3 -0.01 -0.08 0.23 -0.04 2.02 2.12 1ev111 GLN 133 HG2 -0.01 0.09 0.02 -0.04 2.40 2.47 1ev111 GLN 133 HG3 -0.01 0.00 -0.21 -0.04 2.39 2.13 1ev111 GLN 133 HE21 -0.01 -0.03 -0.01 -0.04 6.97 6.88 1ev111 GLN 133 HE22 -0.01 0.02 -0.04 -0.04 7.69 7.62 1ev111 ASN 134 H -0.01 0.08 -0.81 -0.55 8.53 7.25 1ev111 ASN 134 HA -0.01 0.11 0.73 -0.75 4.76 4.84 1ev111 ASN 134 HB2 -0.00 0.04 -0.07 -0.04 2.88 2.80 1ev111 ASN 134 HB3 -0.01 -0.01 -0.49 -0.04 2.79 2.24 1ev111 ASN 134 HD21 -0.00 -0.03 0.04 -0.04 7.03 6.99 1ev111 ASN 134 HD22 -0.00 0.02 0.15 -0.04 7.74 7.86 1ev111 GLN 135 H -0.01 0.38 -0.25 -0.55 8.47 8.05 1ev111 GLN 135 HA -0.01 -0.01 0.66 -0.75 4.36 4.25 1ev111 GLN 135 HB2 -0.01 0.00 -0.25 -0.04 2.15 1.85 1ev111 GLN 135 HB3 -0.01 0.03 0.09 -0.04 2.02 2.09 1ev111 GLN 135 HG2 -0.01 0.16 0.04 -0.04 2.40 2.54 1ev111 GLN 135 HG3 -0.01 -0.01 0.01 -0.04 2.39 2.33 1ev111 GLN 135 HE21 -0.02 0.43 -0.04 -0.04 6.97 7.30 1ev111 GLN 135 HE22 -0.02 -0.03 -0.07 -0.04 7.69 7.54 1ev111 ASN 136 H -0.01 0.11 0.09 -0.55 8.53 8.17 1ev111 ASN 136 HA -0.01 0.09 0.23 -0.75 4.76 4.31 1ev111 ASN 136 HB2 -0.01 0.01 0.12 -0.04 2.88 2.96 1ev111 ASN 136 HB3 -0.01 -0.03 0.21 -0.04 2.79 2.92 1ev111 ASN 136 HD21 -0.01 -0.03 -0.10 -0.04 7.03 6.85 1ev111 ASN 136 HD22 -0.01 -0.01 -0.04 -0.04 7.74 7.64 1ev111 ALA 137 H -0.01 0.33 0.30 -0.55 8.40 8.48 1ev111 ALA 137 HA -0.02 0.13 0.80 -0.75 4.34 4.50 1ev111 ALA 137 HB3 -0.02 -0.00 0.08 -0.04 1.41 1.43 1ev111 PRO 138 HA -0.02 0.05 0.57 -0.51 4.44 4.54 1ev111 PRO 138 HB2 -0.02 0.05 -0.01 -0.04 2.28 2.26 1ev111 PRO 138 HB3 -0.02 -0.03 0.11 -0.04 2.02 2.04 1ev111 PRO 138 HG2 -0.02 0.01 0.06 -0.04 2.03 2.04 1ev111 PRO 138 HG3 -0.01 0.04 -0.02 -0.04 2.03 1.99 1ev111 PRO 138 HD2 -0.02 0.08 0.17 -0.04 3.68 3.87 1ev111 PRO 138 HD3 -0.02 0.35 0.36 -0.04 3.65 4.30 1ev111 VAL 139 H -0.02 0.07 0.11 -0.55 8.24 7.85 1ev111 VAL 139 HA -0.03 0.02 0.37 -0.75 4.13 3.74 1ev111 VAL 139 HB -0.05 -0.03 0.11 -0.04 2.12 2.11 1ev111 VAL 139 HG13 -0.08 0.00 -0.08 -0.04 0.97 0.77 1ev111 VAL 139 HG23 -0.04 0.00 0.08 -0.04 0.95 0.95 1ev111 LEU 140 H -0.01 0.10 0.19 -0.55 8.37 8.11 1ev111 LEU 140 HA -0.03 0.16 0.91 -0.75 4.35 4.64 1ev111 LEU 140 HB2 0.04 -0.07 0.15 -0.04 1.64 1.72 1ev111 LEU 140 HB3 -0.07 0.07 0.01 -0.04 1.64 1.61 1ev111 LEU 140 HG -0.02 0.09 -0.02 -0.04 1.64 1.65 1ev111 LEU 140 HD13 0.03 -0.02 0.02 -0.04 0.93 0.92 1ev111 LEU 140 HD23 0.07 -0.01 -0.04 -0.04 0.89 0.87 1ev111 THR 141 H -0.02 0.13 0.24 -0.55 8.28 8.08 1ev111 THR 141 HA 0.04 0.21 0.84 -0.75 4.39 4.73 1ev111 THR 141 HB 0.14 0.04 -0.03 -0.04 4.32 4.44 1ev111 THR 141 HG23 -0.00 0.02 -0.05 -0.04 1.22 1.15 1ev111 HIS 142 H 0.37 0.50 0.31 -0.55 8.41 9.05 1ev111 HIS 142 HA 0.16 0.20 1.27 -0.75 4.63 5.50 1ev111 HIS 142 HB2 0.47 -0.03 0.09 -0.04 3.26 3.75 1ev111 HIS 142 HB3 0.27 0.06 -0.00 -0.04 3.20 3.48 1ev111 HIS 142 HD2 0.40 0.16 -0.11 -0.04 6.97 7.37 1ev111 HIS 142 HE1 0.05 -0.03 -0.20 -0.04 7.75 7.53 1ev111 GLN 143 H 0.02 0.62 0.25 -0.55 8.47 8.82 1ev111 GLN 143 HA -0.28 0.37 1.23 -0.75 4.36 4.92 1ev111 GLN 143 HB2 -0.26 -0.05 -0.13 -0.04 2.15 1.68 1ev111 GLN 143 HB3 -0.28 -0.03 0.03 -0.04 2.02 1.70 1ev111 GLN 143 HG2 -0.08 -0.01 -0.41 -0.04 2.40 1.85 1ev111 GLN 143 HG3 -0.98 0.02 -0.10 -0.04 2.39 1.29 1ev111 GLN 143 HE21 0.37 0.37 0.00 -0.04 6.97 7.67 1ev111 GLN 143 HE22 0.06 -0.03 -0.15 -0.04 7.69 7.52 1ev111 ILE 144 H -0.17 0.65 0.31 -0.55 8.25 8.50 1ev111 ILE 144 HA -0.39 0.27 0.95 -0.75 4.18 4.25 1ev111 ILE 144 HB -0.11 -0.08 0.14 -0.04 1.89 1.80 1ev111 ILE 144 HG12 -0.10 0.02 -0.15 -0.04 1.49 1.22 1ev111 ILE 144 HG13 0.01 -0.01 -0.22 -0.04 1.21 0.96 1ev111 ILE 144 HG23 -0.53 -0.00 -0.20 -0.04 0.93 0.16 1ev111 ILE 144 HD13 0.03 -0.01 -0.13 -0.04 0.88 0.73 1ev111 MET 145 H -0.03 0.69 0.27 -0.55 8.47 8.86 1ev111 MET 145 HA 0.01 0.27 1.18 -0.75 4.52 5.22 1ev111 MET 145 HB2 0.12 -0.01 -0.14 -0.04 2.15 2.08 1ev111 MET 145 HB3 0.04 -0.05 0.07 -0.04 2.03 2.05 1ev111 MET 145 HG2 -0.11 -0.04 -0.50 -0.04 2.63 1.93 1ev111 MET 145 HG3 -0.03 0.13 -0.15 -0.04 2.56 2.47 1ev111 MET 145 HE3 -0.94 -0.03 -0.17 -0.04 2.10 0.92 1ev111 TYR 146 H 0.12 0.75 0.27 -0.55 8.29 8.88 1ev111 TYR 146 HA 0.00 0.18 0.97 -0.75 4.56 4.96 1ev111 TYR 146 HB2 -0.00 -0.06 0.02 -0.04 3.06 2.98 1ev111 TYR 146 HB3 -0.01 0.05 0.22 -0.04 2.98 3.20 1ev111 TYR 146 HD2 -0.01 0.02 -0.08 -0.04 7.15 7.03 1ev111 TYR 146 HE2 -0.04 0.03 -0.05 -0.04 6.85 6.74 1ev111 VAL 147 H -0.10 0.73 0.31 -0.55 8.24 8.63 1ev111 VAL 147 HA -0.33 0.19 0.95 -0.75 4.13 4.19 1ev111 VAL 147 HB -0.05 -0.09 0.14 -0.04 2.12 2.09 1ev111 VAL 147 HG13 -0.22 0.01 -0.24 -0.04 0.97 0.48 1ev111 VAL 147 HG23 -0.27 0.02 -0.16 -0.04 0.95 0.50 1ev111 PRO 148 HA -0.47 0.15 0.57 -0.51 4.44 4.17 1ev111 PRO 148 HB2 -0.15 0.02 -0.09 -0.04 2.28 2.03 1ev111 PRO 148 HB3 -0.13 0.08 0.07 -0.04 2.02 2.00 1ev111 PRO 148 HG2 -0.16 0.00 0.02 -0.04 2.03 1.85 1ev111 PRO 148 HG3 -0.18 0.08 0.03 -0.04 2.03 1.92 1ev111 PRO 148 HD2 -0.31 0.04 0.22 -0.04 3.68 3.59 1ev111 PRO 148 HD3 -0.68 0.31 -0.19 -0.04 3.65 3.05 1ev111 PRO 149 HA -0.08 -0.03 0.36 -0.51 4.44 4.18 1ev111 PRO 149 HB2 -0.05 0.04 0.15 -0.04 2.28 2.38 1ev111 PRO 149 HB3 -0.05 -0.03 0.08 -0.04 2.02 1.98 1ev111 PRO 149 HG2 -0.03 0.09 0.07 -0.04 2.03 2.11 1ev111 PRO 149 HG3 -0.03 0.00 -0.11 -0.04 2.03 1.85 1ev111 PRO 149 HD2 -0.04 0.13 0.11 -0.04 3.68 3.84 1ev111 PRO 149 HD3 -0.04 0.16 0.04 -0.04 3.65 3.77 1ev111 GLY 150 H -0.08 0.16 0.23 -0.55 8.43 8.20 1ev111 GLY 150 HA2 -0.04 -0.05 0.32 -0.51 4.01 3.73 1ev111 GLY 150 HA3 -0.05 0.15 0.72 -0.51 4.01 4.31 1ev111 GLY 151 H -0.11 0.50 0.08 -0.55 8.43 8.35 1ev111 GLY 151 HA2 -0.08 0.06 0.41 -0.51 4.01 3.89 1ev111 GLY 151 HA3 -0.14 0.04 0.29 -0.51 4.01 3.69 1ev111 PRO 152 HA -0.11 0.05 0.51 -0.51 4.44 4.37 1ev111 PRO 152 HB2 -0.39 -0.04 -0.04 -0.04 2.28 1.77 1ev111 PRO 152 HB3 -0.02 0.01 0.06 -0.04 2.02 2.02 1ev111 PRO 152 HG2 -0.20 -0.01 0.08 -0.04 2.03 1.86 1ev111 PRO 152 HG3 0.02 0.03 0.06 -0.04 2.03 2.10 1ev111 PRO 152 HD2 -0.14 0.09 0.20 -0.04 3.68 3.78 1ev111 PRO 152 HD3 -0.07 0.16 0.18 -0.04 3.65 3.88 1ev111 ILE 153 H -0.14 0.11 0.14 -0.55 8.25 7.81 1ev111 ILE 153 HA -0.60 0.17 0.61 -0.75 4.18 3.61 1ev111 ILE 153 HB -0.06 -0.06 0.09 -0.04 1.89 1.82 1ev111 ILE 153 HG12 0.11 0.04 -0.04 -0.04 1.49 1.57 1ev111 ILE 153 HG13 -0.04 0.07 -0.05 -0.04 1.21 1.14 1ev111 ILE 153 HG23 0.08 -0.01 -0.28 -0.04 0.93 0.69 1ev111 ILE 153 HD13 0.12 -0.01 -0.06 -0.04 0.88 0.89 1ev111 PRO 154 HA -0.50 -0.09 0.81 -0.51 4.44 4.15 1ev111 PRO 154 HB2 -0.69 0.11 -0.01 -0.04 2.28 1.65 1ev111 PRO 154 HB3 -1.25 -0.07 0.06 -0.04 2.02 0.72 1ev111 PRO 154 HG2 -1.76 0.05 0.01 -0.04 2.03 0.29 1ev111 PRO 154 HG3 -1.83 0.04 -0.06 -0.04 2.03 0.14 1ev111 PRO 154 HD2 -2.43 0.08 0.17 -0.04 3.68 1.45 1ev111 PRO 154 HD3 -1.09 0.35 0.08 -0.04 3.65 2.96 1ev111 VAL 155 H -0.13 0.09 0.12 -0.55 8.24 7.77 1ev111 VAL 155 HA 0.17 0.16 0.63 -0.75 4.13 4.34 1ev111 VAL 155 HB 0.02 -0.08 0.09 -0.04 2.12 2.11 1ev111 VAL 155 HG13 0.09 -0.00 -0.05 -0.04 0.97 0.96 1ev111 VAL 155 HG23 0.03 0.05 -0.04 -0.04 0.95 0.95 1ev111 SER 156 H -0.15 0.02 -0.08 -0.55 8.46 7.70 1ev111 SER 156 HA 0.06 0.36 0.84 -0.75 4.49 5.00 1ev111 SER 156 HB2 0.05 0.05 0.08 -0.04 3.95 4.09 1ev111 SER 156 HB3 0.05 0.06 -0.17 -0.04 3.93 3.84 1ev111 VAL 157 H 0.02 0.26 0.02 -0.55 8.24 7.99 1ev111 VAL 157 HA -0.20 0.14 0.42 -0.75 4.13 3.73 1ev111 VAL 157 HB 0.27 0.00 -0.10 -0.04 2.12 2.25 1ev111 VAL 157 HG13 0.05 -0.01 -0.34 -0.04 0.97 0.63 1ev111 VAL 157 HG23 0.01 0.03 0.03 -0.04 0.95 0.98 1ev111 ASP 158 H 0.04 -0.09 -0.84 -0.55 8.40 6.96 1ev111 ASP 158 HA 0.02 0.26 0.75 -0.75 4.63 4.90 1ev111 ASP 158 HB2 0.00 0.01 -0.44 -0.04 2.71 2.25 1ev111 ASP 158 HB3 0.04 -0.09 -0.00 -0.04 2.70 2.61 1ev111 ASP 159 H 0.44 0.26 -0.05 -0.55 8.40 8.50 1ev111 ASP 159 HA 0.14 0.37 1.16 -0.75 4.63 5.54 1ev111 ASP 159 HB2 0.16 -0.03 0.13 -0.04 2.71 2.92 1ev111 ASP 159 HB3 0.07 0.03 -0.09 -0.04 2.70 2.67 1ev111 TYR 160 H 0.32 0.17 0.12 -0.55 8.29 8.35 1ev111 TYR 160 HA 0.03 0.09 0.19 -0.75 4.56 4.11 1ev111 TYR 160 HB2 -0.01 0.05 0.07 -0.04 3.06 3.12 1ev111 TYR 160 HB3 -0.01 0.02 0.15 -0.04 2.98 3.09 1ev111 TYR 160 HD2 -0.05 -0.03 -0.03 -0.04 7.15 7.00 1ev111 TYR 160 HE2 -0.07 0.03 -0.02 -0.04 6.85 6.74 1ev111 SER 161 H -0.91 0.01 -0.36 -0.55 8.46 6.66 1ev111 SER 161 HA -0.71 0.02 0.30 -0.75 4.49 3.35 1ev111 SER 161 HB2 -0.98 0.01 -0.03 -0.04 3.95 2.92 1ev111 SER 161 HB3 -0.77 0.20 -0.08 -0.04 3.93 3.24 1ev111 TRP 162 H -0.18 0.50 -0.14 -0.55 7.97 7.60 1ev111 TRP 162 HA -0.11 0.07 0.24 -0.75 4.62 4.07 1ev111 TRP 162 HB2 -0.05 0.04 -0.06 -0.04 3.23 3.11 1ev111 TRP 162 HB3 -0.00 0.01 0.02 -0.04 3.23 3.22 1ev111 TRP 162 HD1 -0.13 -0.16 -0.01 -0.04 7.22 6.88 1ev111 TRP 162 HE1 -0.36 0.29 -0.05 -0.04 10.20 10.04 1ev111 TRP 162 HE3 -0.08 0.00 -0.13 -0.04 7.59 7.34 1ev111 TRP 162 HZ2 -0.15 0.02 -0.15 -0.04 7.44 7.12 1ev111 TRP 162 HZ3 -0.02 0.13 -0.27 -0.04 7.13 6.92 1ev111 TRP 162 HH2 0.27 -0.01 -0.45 -0.04 7.19 6.96 1ev111 GLN 163 H 0.04 0.58 -0.39 -0.55 8.47 8.15 1ev111 GLN 163 HA 0.13 0.03 0.41 -0.75 4.36 4.18 1ev111 GLN 163 HB2 0.04 0.04 0.07 -0.04 2.15 2.26 1ev111 GLN 163 HB3 0.06 -0.06 -0.11 -0.04 2.02 1.87 1ev111 GLN 163 HG2 0.08 -0.03 0.01 -0.04 2.40 2.42 1ev111 GLN 163 HG3 0.10 -0.01 0.02 -0.04 2.39 2.46 1ev111 GLN 163 HE21 0.13 -0.05 0.01 -0.04 6.97 7.03 1ev111 GLN 163 HE22 0.14 -0.05 0.03 -0.04 7.69 7.76 1ev111 THR 164 H -0.00 0.36 -0.17 -0.55 8.28 7.92 1ev111 THR 164 HA -0.02 -0.07 0.34 -0.75 4.39 3.88 1ev111 THR 164 HB 0.06 0.24 0.15 -0.04 4.32 4.74 1ev111 THR 164 HG23 0.03 -0.01 -0.14 -0.04 1.22 1.06 1ev111 SER 165 H 0.01 0.06 -0.10 -0.55 8.46 7.88 1ev111 SER 165 HA 0.03 0.18 0.33 -0.75 4.49 4.28 1ev111 SER 165 HB2 0.02 -0.06 0.01 -0.04 3.95 3.87 1ev111 SER 165 HB3 0.02 0.01 0.06 -0.04 3.93 3.98 1ev111 THR 166 H -0.00 -0.20 -0.42 -0.55 8.28 7.11 1ev111 THR 166 HA 0.01 0.16 0.53 -0.75 4.39 4.34 1ev111 THR 166 HB -0.02 -0.01 -0.08 -0.04 4.32 4.17 1ev111 THR 166 HG23 0.00 0.01 0.06 -0.04 1.22 1.24 1ev111 ASN 167 H -0.03 -0.17 0.04 -0.55 8.53 7.82 1ev111 ASN 167 HA -0.03 0.11 0.61 -0.75 4.76 4.70 1ev111 ASN 167 HB2 -0.06 -0.13 0.07 -0.04 2.88 2.72 1ev111 ASN 167 HB3 -0.07 0.48 0.16 -0.04 2.79 3.32 1ev111 ASN 167 HD21 -0.22 -0.05 0.05 -0.04 7.03 6.78 1ev111 ASN 167 HD22 -0.22 0.04 0.01 -0.04 7.74 7.52 1ev111 PRO 168 HA 0.08 0.10 0.72 -0.51 4.44 4.82 1ev111 PRO 168 HB2 0.10 -0.04 0.02 -0.04 2.28 2.33 1ev111 PRO 168 HB3 0.08 0.03 0.13 -0.04 2.02 2.22 1ev111 PRO 168 HG2 0.33 -0.02 0.13 -0.04 2.03 2.42 1ev111 PRO 168 HG3 0.14 0.04 0.11 -0.04 2.03 2.28 1ev111 PRO 168 HD2 0.11 0.17 0.32 -0.04 3.68 4.25 1ev111 PRO 168 HD3 0.08 0.21 0.27 -0.04 3.65 4.17 1ev111 SER 169 H 0.09 0.22 0.26 -0.55 8.46 8.48 1ev111 SER 169 HA 0.01 0.25 1.14 -0.75 4.49 5.13 1ev111 SER 169 HB2 0.12 -0.02 0.01 -0.04 3.95 4.02 1ev111 SER 169 HB3 -0.24 -0.03 -0.07 -0.04 3.93 3.55 1ev111 ILE 170 H -0.10 0.63 0.34 -0.55 8.25 8.57 1ev111 ILE 170 HA 0.12 0.20 1.04 -0.75 4.18 4.78 1ev111 ILE 170 HB 0.02 -0.06 0.09 -0.04 1.89 1.90 1ev111 ILE 170 HG12 0.08 0.08 -0.05 -0.04 1.49 1.56 1ev111 ILE 170 HG13 0.04 -0.03 -0.30 -0.04 1.21 0.88 1ev111 ILE 170 HG23 0.16 -0.02 -0.19 -0.04 0.93 0.85 1ev111 ILE 170 HD13 0.04 -0.02 -0.16 -0.04 0.88 0.70 1ev111 PHE 171 H 0.36 0.21 0.14 -0.55 8.34 8.49 1ev111 PHE 171 HA 0.17 0.42 1.09 -0.75 4.62 5.55 1ev111 PHE 171 HB2 0.09 -0.02 0.17 -0.04 3.15 3.35 1ev111 PHE 171 HB3 0.09 -0.04 0.01 -0.04 3.06 3.08 1ev111 PHE 171 HD2 0.07 -0.02 -0.10 -0.04 7.28 7.19 1ev111 PHE 171 HE2 0.05 0.03 -0.11 -0.04 7.38 7.31 1ev111 PHE 171 HZ 0.09 0.12 -0.08 -0.04 7.32 7.41 1ev111 TRP 172 H 0.43 0.58 0.28 -0.55 7.97 8.71 1ev111 TRP 172 HA 0.13 0.12 0.92 -0.75 4.62 5.04 1ev111 TRP 172 HB2 0.10 0.01 -0.20 -0.04 3.23 3.10 1ev111 TRP 172 HB3 0.12 -0.01 0.06 -0.04 3.23 3.35 1ev111 TRP 172 HD1 0.07 -0.01 0.03 -0.04 7.22 7.27 1ev111 TRP 172 HE1 0.04 0.43 -0.21 -0.04 10.20 10.42 1ev111 TRP 172 HE3 0.08 -0.07 -0.12 -0.04 7.59 7.44 1ev111 TRP 172 HZ2 0.02 0.19 -0.16 -0.04 7.44 7.45 1ev111 TRP 172 HZ3 -0.13 -0.01 -0.10 -0.04 7.13 6.85 1ev111 TRP 172 HH2 0.00 0.02 0.07 -0.04 7.19 7.24 1ev111 THR 173 H -0.35 0.15 0.14 -0.55 8.28 7.67 1ev111 THR 173 HA -0.19 0.11 0.78 -0.75 4.39 4.33 1ev111 THR 173 HB -0.23 0.08 -0.03 -0.04 4.32 4.10 1ev111 THR 173 HG23 -0.08 -0.01 -0.04 -0.04 1.22 1.05 1ev111 GLU 174 H -0.25 0.35 0.16 -0.55 8.60 8.31 1ev111 GLU 174 HA -0.98 0.14 0.57 -0.75 4.29 3.25 1ev111 GLU 174 HB2 -0.06 -0.10 0.19 -0.04 2.09 2.08 1ev111 GLU 174 HB3 -0.02 -0.02 0.09 -0.04 1.99 2.00 1ev111 GLU 174 HG2 0.29 0.06 0.07 -0.04 2.34 2.73 1ev111 GLU 174 HG3 0.27 0.15 0.07 -0.04 2.34 2.79 1ev111 GLY 175 H -0.02 0.18 0.15 -0.55 8.43 8.20 1ev111 GLY 175 HA2 0.01 -0.02 0.39 -0.51 4.01 3.88 1ev111 GLY 175 HA3 -0.06 0.10 0.64 -0.51 4.01 4.18 1ev111 ASN 176 H -0.27 0.25 -0.58 -0.55 8.53 7.39 1ev111 ASN 176 HA 0.02 0.06 0.61 -0.75 4.76 4.71 1ev111 ASN 176 HB2 -0.35 0.18 0.05 -0.04 2.88 2.72 1ev111 ASN 176 HB3 0.07 -0.00 0.12 -0.04 2.79 2.93 1ev111 ASN 176 HD21 -0.04 -0.03 -0.00 -0.04 7.03 6.92 1ev111 ASN 176 HD22 0.00 -0.03 0.06 -0.04 7.74 7.73 1ev111 ALA 177 H 0.14 0.04 0.12 -0.55 8.40 8.15 1ev111 ALA 177 HA 0.15 0.10 0.51 -0.75 4.34 4.35 1ev111 ALA 177 HB3 0.10 -0.00 0.08 -0.04 1.41 1.55 1ev111 PRO 178 HA -0.19 0.02 0.44 -0.51 4.44 4.21 1ev111 PRO 178 HB2 -0.10 0.02 -0.10 -0.04 2.28 2.06 1ev111 PRO 178 HB3 -0.17 0.02 -0.00 -0.04 2.02 1.83 1ev111 PRO 178 HG2 -0.05 0.01 0.03 -0.04 2.03 1.98 1ev111 PRO 178 HG3 -0.04 0.02 0.05 -0.04 2.03 2.02 1ev111 PRO 178 HD2 0.05 0.05 0.19 -0.04 3.68 3.92 1ev111 PRO 178 HD3 0.09 0.17 0.21 -0.04 3.65 4.09 1ev111 ALA 179 H -0.65 0.14 0.23 -0.55 8.40 7.57 1ev111 ALA 179 HA 0.04 0.06 0.52 -0.75 4.34 4.21 1ev111 ALA 179 HB3 -0.21 0.00 0.09 -0.04 1.41 1.25 1ev111 ARG 180 H 0.05 0.17 0.21 -0.55 8.46 8.34 1ev111 ARG 180 HA 0.02 0.35 0.98 -0.75 4.34 4.94 1ev111 ARG 180 HB2 0.01 0.05 -0.20 -0.04 1.90 1.72 1ev111 ARG 180 HB3 0.03 -0.05 0.05 -0.04 1.80 1.79 1ev111 ARG 180 HG2 0.03 -0.03 -0.36 -0.04 1.67 1.26 1ev111 ARG 180 HG3 0.02 0.05 -0.18 -0.04 1.67 1.52 1ev111 ARG 180 HD2 0.02 -0.02 -0.09 -0.04 3.22 3.08 1ev111 ARG 180 HD3 0.01 -0.04 -0.14 -0.04 3.22 3.02 1ev111 MET 181 H 0.04 0.70 0.33 -0.55 8.47 9.00 1ev111 MET 181 HA 0.04 0.19 1.06 -0.75 4.52 5.05 1ev111 MET 181 HB2 0.02 -0.04 0.00 -0.04 2.15 2.09 1ev111 MET 181 HB3 0.02 0.10 0.03 -0.04 2.03 2.14 1ev111 MET 181 HG2 0.04 0.03 -0.04 -0.04 2.63 2.62 1ev111 MET 181 HG3 0.04 -0.08 -0.37 -0.04 2.56 2.11 1ev111 MET 181 HE3 0.04 -0.00 -0.15 -0.04 2.10 1.95 1ev111 SER 182 H 0.03 0.18 0.20 -0.55 8.46 8.32 1ev111 SER 182 HA 0.01 0.30 1.19 -0.75 4.49 5.24 1ev111 SER 182 HB2 0.04 -0.03 0.08 -0.04 3.95 3.99 1ev111 SER 182 HB3 0.05 0.02 -0.03 -0.04 3.93 3.93 1ev111 ILE 183 H 0.02 0.57 0.35 -0.55 8.25 8.63 1ev111 ILE 183 HA -0.00 0.19 0.94 -0.75 4.18 4.55 1ev111 ILE 183 HB -0.04 -0.04 0.19 -0.04 1.89 1.96 1ev111 ILE 183 HG12 -0.05 -0.07 -0.41 -0.04 1.49 0.91 1ev111 ILE 183 HG13 -0.13 -0.03 -0.10 -0.04 1.21 0.91 1ev111 ILE 183 HG23 -0.06 0.07 0.01 -0.04 0.93 0.91 1ev111 ILE 183 HD13 -0.09 0.05 -0.00 -0.04 0.88 0.80 1ev111 PRO 184 HA 0.10 0.09 0.70 -0.51 4.44 4.82 1ev111 PRO 184 HB2 0.04 0.09 -0.09 -0.04 2.28 2.28 1ev111 PRO 184 HB3 0.06 0.01 0.10 -0.04 2.02 2.15 1ev111 PRO 184 HG2 0.02 0.07 0.01 -0.04 2.03 2.09 1ev111 PRO 184 HG3 0.03 0.04 0.03 -0.04 2.03 2.09 1ev111 PRO 184 HD2 0.00 0.12 0.23 -0.04 3.68 4.00 1ev111 PRO 184 HD3 0.03 0.20 0.07 -0.04 3.65 3.90 1ev111 PHE 185 H 0.18 0.12 0.04 -0.55 8.34 8.13 1ev111 PHE 185 HA -0.08 0.19 0.77 -0.75 4.62 4.75 1ev111 PHE 185 HB2 -0.10 0.02 -0.00 -0.04 3.15 3.03 1ev111 PHE 185 HB3 -0.09 -0.02 0.16 -0.04 3.06 3.08 1ev111 PHE 185 HD2 -0.47 0.05 0.06 -0.04 7.28 6.89 1ev111 PHE 185 HE2 -0.90 0.01 -0.05 -0.04 7.38 6.40 1ev111 PHE 185 HZ -0.37 -0.04 -0.29 -0.04 7.32 6.58 1ev111 ILE 186 H -0.07 0.34 0.02 -0.55 8.25 8.00 1ev111 ILE 186 HA -0.15 0.07 0.29 -0.75 4.18 3.64 1ev111 ILE 186 HB -0.05 0.05 0.04 -0.04 1.89 1.89 1ev111 ILE 186 HG12 -0.04 0.01 0.06 -0.04 1.49 1.47 1ev111 ILE 186 HG13 -0.03 -0.02 0.04 -0.04 1.21 1.16 1ev111 ILE 186 HG23 0.02 -0.01 -0.07 -0.04 0.93 0.83 1ev111 ILE 186 HD13 -0.02 -0.00 0.00 -0.04 0.88 0.82 1ev111 SER 187 H -1.14 -0.00 -0.41 -0.55 8.46 6.36 1ev111 SER 187 HA -0.21 0.09 0.35 -0.75 4.49 3.96 1ev111 SER 187 HB2 -0.36 -0.05 0.01 -0.04 3.95 3.51 1ev111 SER 187 HB3 -1.13 0.11 -0.06 -0.04 3.93 2.80 1ev111 ILE 188 H -0.12 0.11 0.18 -0.55 8.25 7.87 1ev111 ILE 188 HA -0.09 0.18 0.70 -0.75 4.18 4.21 1ev111 ILE 188 HB -0.05 -0.03 0.11 -0.04 1.89 1.88 1ev111 ILE 188 HG12 -0.07 0.01 0.14 -0.04 1.49 1.53 1ev111 ILE 188 HG13 -0.06 -0.01 -0.19 -0.04 1.21 0.91 1ev111 ILE 188 HG23 -0.06 0.02 0.06 -0.04 0.93 0.91 1ev111 ILE 188 HD13 -0.05 0.00 0.03 -0.04 0.88 0.82 1ev111 GLY 189 H -0.10 0.02 -0.06 -0.55 8.43 7.74 1ev111 GLY 189 HA2 -0.05 0.19 0.90 -0.51 4.01 4.54 1ev111 GLY 189 HA3 -0.05 0.03 0.28 -0.51 4.01 3.75 1ev111 ASN 190 H -0.07 0.12 0.08 -0.55 8.53 8.11 1ev111 ASN 190 HA 0.05 0.11 0.11 -0.75 4.76 4.27 1ev111 ASN 190 HB2 -0.20 -0.01 0.03 -0.04 2.88 2.65 1ev111 ASN 190 HB3 -0.17 0.01 0.10 -0.04 2.79 2.69 1ev111 ASN 190 HD21 -0.06 0.00 0.00 -0.04 7.03 6.94 1ev111 ASN 190 HD22 -0.09 0.00 0.02 -0.04 7.74 7.63 1ev111 ALA 191 H 0.02 0.19 -0.63 -0.55 8.40 7.42 1ev111 ALA 191 HA -0.13 0.07 0.37 -0.75 4.34 3.89 1ev111 ALA 191 HB3 -0.21 0.01 -0.16 -0.04 1.41 1.01 1ev111 TYR 192 H 0.11 0.55 0.31 -0.55 8.29 8.70 1ev111 TYR 192 HA 0.06 0.03 0.64 -0.75 4.56 4.54 1ev111 TYR 192 HB2 0.04 0.08 0.18 -0.04 3.06 3.32 1ev111 TYR 192 HB3 0.01 -0.02 0.00 -0.04 2.98 2.93 1ev111 TYR 192 HD2 -0.46 0.02 -0.02 -0.04 7.15 6.65 1ev111 TYR 192 HE2 -0.77 0.04 -0.03 -0.04 6.85 6.05 1ev111 SER 193 H 0.17 0.14 0.10 -0.55 8.46 8.33 1ev111 SER 193 HA 0.33 0.32 1.31 -0.75 4.49 5.70 1ev111 SER 193 HB2 0.12 -0.08 0.11 -0.04 3.95 4.07 1ev111 SER 193 HB3 0.24 0.15 0.01 -0.04 3.93 4.28 1ev111 ASN 194 H 0.06 0.58 0.18 -0.55 8.53 8.81 1ev111 ASN 194 HA -0.30 -0.00 0.48 -0.75 4.76 4.19 1ev111 ASN 194 HB2 -0.14 0.25 0.14 -0.04 2.88 3.09 1ev111 ASN 194 HB3 -0.67 -0.07 0.04 -0.04 2.79 2.06 1ev111 ASN 194 HD21 0.05 -0.04 -0.14 -0.04 7.03 6.86 1ev111 ASN 194 HD22 -0.16 -0.04 -0.10 -0.04 7.74 7.40 1ev111 PHE 195 H 0.04 0.25 -0.13 -0.55 8.34 7.95 1ev111 PHE 195 HA 0.14 0.11 0.89 -0.75 4.62 5.02 1ev111 PHE 195 HB2 -0.04 0.02 0.04 -0.04 3.15 3.13 1ev111 PHE 195 HB3 0.02 -0.10 -0.03 -0.04 3.06 2.90 1ev111 PHE 195 HD2 0.04 -0.08 -0.01 -0.04 7.28 7.19 1ev111 PHE 195 HE2 0.02 0.13 -0.02 -0.04 7.38 7.47 1ev111 PHE 195 HZ 0.00 0.01 -0.02 -0.04 7.32 7.28 1ev111 TYR 196 H 0.25 0.09 0.00 -0.55 8.29 8.08 1ev111 TYR 196 HA 0.03 0.21 0.64 -0.75 4.56 4.69 1ev111 TYR 196 HB2 0.03 0.13 -0.23 -0.04 3.06 2.95 1ev111 TYR 196 HB3 -0.07 -0.11 -0.35 -0.04 2.98 2.41 1ev111 TYR 196 HD2 -0.09 0.14 -0.17 -0.04 7.15 6.99 1ev111 TYR 196 HE2 -0.05 0.03 -0.33 -0.04 6.85 6.46 1ev111 ASP 197 H -0.09 0.23 -0.08 -0.55 8.40 7.91 1ev111 ASP 197 HA -0.45 0.06 0.74 -0.75 4.63 4.22 1ev111 ASP 197 HB2 -0.07 0.01 0.09 -0.04 2.71 2.71 1ev111 ASP 197 HB3 -0.10 0.02 0.19 -0.04 2.70 2.77 1ev111 GLY 198 H -1.13 0.47 0.06 -0.55 8.43 7.28 1ev111 GLY 198 HA2 -0.75 0.11 0.50 -0.51 4.01 3.37 1ev111 GLY 198 HA3 -1.13 0.04 0.18 -0.51 4.01 2.60 1ev111 TRP 199 H -0.04 0.18 0.11 -0.55 7.97 7.68 1ev111 TRP 199 HA 0.03 0.37 1.03 -0.75 4.62 5.29 1ev111 TRP 199 HB2 0.02 0.05 -0.03 -0.04 3.23 3.22 1ev111 TRP 199 HB3 0.01 0.06 -0.07 -0.04 3.23 3.19 1ev111 TRP 199 HD1 0.03 0.02 -0.00 -0.04 7.22 7.22 1ev111 TRP 199 HE1 0.04 0.02 -0.04 -0.04 10.20 10.17 1ev111 TRP 199 HE3 0.09 -0.01 -0.47 -0.04 7.59 7.16 1ev111 TRP 199 HZ2 -0.05 -0.02 -0.04 -0.04 7.44 7.29 1ev111 TRP 199 HZ3 0.00 -0.05 -0.09 -0.04 7.13 6.96 1ev111 TRP 199 HH2 -0.24 -0.03 -0.03 -0.04 7.19 6.85 1ev111 SER 200 H 0.20 0.43 0.24 -0.55 8.46 8.78 1ev111 SER 200 HA 0.07 0.15 0.72 -0.75 4.49 4.68 1ev111 SER 200 HB2 -0.01 0.05 0.18 -0.04 3.95 4.13 1ev111 SER 200 HB3 -0.01 0.03 0.23 -0.04 3.93 4.14 1ev111 HIS 201 H 0.15 0.34 -0.03 -0.55 8.41 8.33 1ev111 HIS 201 HA -0.17 0.26 1.00 -0.75 4.63 4.97 1ev111 HIS 201 HB2 0.00 -0.03 -0.13 -0.04 3.26 3.06 1ev111 HIS 201 HB3 0.02 -0.12 -0.10 -0.04 3.20 2.95 1ev111 HIS 201 HD2 0.01 -0.04 -0.19 -0.04 6.97 6.71 1ev111 HIS 201 HE1 0.01 0.04 -0.03 -0.04 7.75 7.72 1ev111 PHE 202 H -0.14 0.22 0.09 -0.55 8.34 7.95 1ev111 PHE 202 HA 0.12 0.10 0.29 -0.75 4.62 4.37 1ev111 PHE 202 HB2 0.03 -0.03 0.13 -0.04 3.15 3.24 1ev111 PHE 202 HB3 0.04 0.04 0.08 -0.04 3.06 3.18 1ev111 PHE 202 HD2 0.05 -0.01 0.06 -0.04 7.28 7.34 1ev111 PHE 202 HE2 0.05 0.02 0.02 -0.04 7.38 7.43 1ev111 PHE 202 HZ 0.04 0.03 0.01 -0.04 7.32 7.36 1ev111 SER 203 H 0.16 0.04 -0.33 -0.55 8.46 7.78 1ev111 SER 203 HA 0.03 0.14 0.48 -0.75 4.49 4.39 1ev111 SER 203 HB2 -0.02 0.04 0.15 -0.04 3.95 4.08 1ev111 SER 203 HB3 0.03 0.01 0.05 -0.04 3.93 3.98 1ev111 GLN 204 H -0.01 0.36 -0.47 -0.55 8.47 7.79 1ev111 GLN 204 HA -0.66 -0.01 0.26 -0.75 4.36 3.21 1ev111 GLN 204 HB2 -0.40 0.11 0.04 -0.04 2.15 1.86 1ev111 GLN 204 HB3 -0.61 -0.04 0.15 -0.04 2.02 1.48 1ev111 GLN 204 HG2 -0.07 -0.04 -0.24 -0.04 2.40 2.00 1ev111 GLN 204 HG3 -0.10 -0.02 -0.07 -0.04 2.39 2.16 1ev111 GLN 204 HE21 0.22 -0.03 0.05 -0.04 6.97 7.17 1ev111 GLN 204 HE22 0.09 0.05 0.09 -0.04 7.69 7.89 1ev111 ALA 205 H -0.14 0.22 -0.29 -0.55 8.40 7.64 1ev111 ALA 205 HA -0.48 0.21 0.75 -0.75 4.34 4.07 1ev111 ALA 205 HB3 -0.13 -0.02 -0.14 -0.04 1.41 1.08 1ev111 GLY 206 H -0.05 0.19 0.08 -0.55 8.43 8.10 1ev111 GLY 206 HA2 -0.14 0.04 0.33 -0.51 4.01 3.73 1ev111 GLY 206 HA3 -0.59 0.09 0.76 -0.51 4.01 3.76 1ev111 VAL 207 H -0.10 0.12 0.16 -0.55 8.24 7.87 1ev111 VAL 207 HA 0.07 0.15 0.77 -0.75 4.13 4.37 1ev111 VAL 207 HB -0.01 -0.03 0.14 -0.04 2.12 2.18 1ev111 VAL 207 HG13 -0.04 0.02 -0.13 -0.04 0.97 0.78 1ev111 VAL 207 HG23 -0.03 0.00 -0.06 -0.04 0.95 0.83 1ev111 TYR 208 H 0.19 0.15 0.18 -0.55 8.29 8.26 1ev111 TYR 208 HA -0.25 0.30 1.06 -0.75 4.56 4.92 1ev111 TYR 208 HB2 0.03 0.01 0.05 -0.04 3.06 3.11 1ev111 TYR 208 HB3 -0.07 -0.06 0.14 -0.04 2.98 2.95 1ev111 TYR 208 HD2 -1.29 -0.02 -0.07 -0.04 7.15 5.73 1ev111 TYR 208 HE2 -0.44 -0.02 -0.05 -0.04 6.85 6.30 1ev111 GLY 209 H -0.87 0.58 0.32 -0.55 8.43 7.91 1ev111 GLY 209 HA2 -0.68 0.27 0.52 -0.51 4.01 3.61 1ev111 GLY 209 HA3 -0.54 0.06 0.59 -0.51 4.01 3.61 1ev111 PHE 210 H -0.12 0.15 0.21 -0.55 8.34 8.03 1ev111 PHE 210 HA 0.04 0.03 0.14 -0.75 4.62 4.07 1ev111 PHE 210 HB2 -0.10 0.11 -0.01 -0.04 3.15 3.12 1ev111 PHE 210 HB3 -0.08 -0.06 0.07 -0.04 3.06 2.96 1ev111 PHE 210 HD2 -0.04 -0.06 -0.06 -0.04 7.28 7.09 1ev111 PHE 210 HE2 0.00 0.04 -0.13 -0.04 7.38 7.25 1ev111 PHE 210 HZ -0.01 0.12 -0.40 -0.04 7.32 6.98 1ev111 THR 211 H -0.47 0.14 -0.29 -0.55 8.28 7.11 1ev111 THR 211 HA 0.05 0.07 0.31 -0.75 4.39 4.06 1ev111 THR 211 HB -0.10 -0.03 -0.05 -0.04 4.32 4.10 1ev111 THR 211 HG23 -0.07 -0.00 0.05 -0.04 1.22 1.16 1ev111 THR 212 H -0.05 0.36 -0.25 -0.55 8.28 7.79 1ev111 THR 212 HA -0.05 -0.03 0.20 -0.75 4.39 3.75 1ev111 THR 212 HB -0.19 0.02 -0.16 -0.04 4.32 3.95 1ev111 THR 212 HG23 -0.04 -0.01 -0.08 -0.04 1.22 1.06 1ev111 LEU 213 H -0.10 0.40 -0.32 -0.55 8.37 7.80 1ev111 LEU 213 HA -0.16 0.14 0.82 -0.75 4.35 4.39 1ev111 LEU 213 HB2 -0.06 0.12 0.10 -0.04 1.64 1.76 1ev111 LEU 213 HB3 -0.11 -0.07 0.07 -0.04 1.64 1.48 1ev111 LEU 213 HG -0.50 -0.02 -0.09 -0.04 1.64 0.99 1ev111 LEU 213 HD13 -0.10 0.00 -0.06 -0.04 0.93 0.73 1ev111 LEU 213 HD23 -0.72 -0.01 -0.15 -0.04 0.89 -0.03 1ev111 ASN 214 H -0.01 0.39 0.02 -0.55 8.53 8.39 1ev111 ASN 214 HA -0.04 0.09 0.40 -0.75 4.76 4.47 1ev111 ASN 214 HB2 0.04 0.06 0.13 -0.04 2.88 3.07 1ev111 ASN 214 HB3 -0.04 -0.06 0.18 -0.04 2.79 2.83 1ev111 ASN 214 HD21 -0.07 0.10 -0.11 -0.04 7.03 6.91 1ev111 ASN 214 HD22 -0.11 -0.09 -0.01 -0.04 7.74 7.49 1ev111 ASN 215 H -0.05 0.48 -0.12 -0.55 8.53 8.30 1ev111 ASN 215 HA -0.06 0.03 0.63 -0.75 4.76 4.60 1ev111 ASN 215 HB2 -0.05 0.05 0.04 -0.04 2.88 2.88 1ev111 ASN 215 HB3 -0.05 0.05 0.21 -0.04 2.79 2.97 1ev111 ASN 215 HD21 -0.04 -0.04 0.02 -0.04 7.03 6.92 1ev111 ASN 215 HD22 -0.04 0.04 0.05 -0.04 7.74 7.75 1ev111 MET 216 H -0.09 0.34 0.26 -0.55 8.47 8.43 1ev111 MET 216 HA -0.02 0.22 0.86 -0.75 4.52 4.81 1ev111 MET 216 HB2 -0.13 0.17 0.10 -0.04 2.15 2.25 1ev111 MET 216 HB3 -0.08 -0.07 0.08 -0.04 2.03 1.92 1ev111 MET 216 HG2 -0.10 0.12 -0.23 -0.04 2.63 2.38 1ev111 MET 216 HG3 -0.15 -0.07 -0.10 -0.04 2.56 2.21 1ev111 MET 216 HE3 -0.03 -0.00 -0.29 -0.04 2.10 1.73 1ev111 GLY 217 H -0.05 0.01 -0.07 -0.55 8.43 7.78 1ev111 GLY 217 HA2 -0.06 -0.02 0.33 -0.51 4.01 3.75 1ev111 GLY 217 HA3 0.02 0.17 0.76 -0.51 4.01 4.44 1ev111 GLN 218 H -0.05 0.55 0.25 -0.55 8.47 8.68 1ev111 GLN 218 HA -0.08 0.09 0.90 -0.75 4.36 4.51 1ev111 GLN 218 HB2 -0.14 0.02 -0.16 -0.04 2.15 1.83 1ev111 GLN 218 HB3 -0.14 -0.05 -0.19 -0.04 2.02 1.60 1ev111 GLN 218 HG2 0.01 0.01 -0.05 -0.04 2.40 2.33 1ev111 GLN 218 HG3 0.23 0.00 -0.11 -0.04 2.39 2.47 1ev111 GLN 218 HE21 0.04 -0.01 -0.10 -0.04 6.97 6.86 1ev111 GLN 218 HE22 0.01 -0.00 -0.11 -0.04 7.69 7.55 1ev111 LEU 219 H 0.05 0.59 0.31 -0.55 8.37 8.77 1ev111 LEU 219 HA 0.15 0.35 1.11 -0.75 4.35 5.21 1ev111 LEU 219 HB2 0.51 -0.05 0.15 -0.04 1.64 2.20 1ev111 LEU 219 HB3 -0.04 0.02 -0.09 -0.04 1.64 1.48 1ev111 LEU 219 HG 0.22 -0.03 -0.14 -0.04 1.64 1.65 1ev111 LEU 219 HD13 0.51 -0.01 -0.13 -0.04 0.93 1.26 1ev111 LEU 219 HD23 0.11 0.02 -0.20 -0.04 0.89 0.78 1ev111 PHE 220 H 0.21 0.76 0.36 -0.55 8.34 9.11 1ev111 PHE 220 HA 0.25 0.20 1.19 -0.75 4.62 5.50 1ev111 PHE 220 HB2 -0.20 0.04 0.17 -0.04 3.15 3.11 1ev111 PHE 220 HB3 -0.04 0.02 -0.02 -0.04 3.06 2.97 1ev111 PHE 220 HD2 0.11 0.06 -0.11 -0.04 7.28 7.31 1ev111 PHE 220 HE2 0.09 0.04 -0.10 -0.04 7.38 7.37 1ev111 PHE 220 HZ 0.00 -0.04 -0.08 -0.04 7.32 7.16 1ev111 PHE 221 H 0.52 0.76 0.36 -0.55 8.34 9.43 1ev111 PHE 221 HA 0.11 0.41 1.31 -0.75 4.62 5.69 1ev111 PHE 221 HB2 -0.23 -0.06 -0.01 -0.04 3.15 2.81 1ev111 PHE 221 HB3 -0.65 0.02 -0.09 -0.04 3.06 2.29 1ev111 PHE 221 HD2 0.07 0.06 -0.21 -0.04 7.28 7.16 1ev111 PHE 221 HE2 0.14 -0.01 -0.19 -0.04 7.38 7.27 1ev111 PHE 221 HZ 0.12 -0.02 -0.20 -0.04 7.32 7.19 1ev111 ARG 222 H -0.16 0.57 0.37 -0.55 8.46 8.69 1ev111 ARG 222 HA -0.32 0.16 0.65 -0.75 4.34 4.08 1ev111 ARG 222 HB2 -0.35 0.09 0.24 -0.04 1.90 1.84 1ev111 ARG 222 HB3 -0.63 -0.03 -0.11 -0.04 1.80 1.00 1ev111 ARG 222 HG2 -1.47 -0.05 -0.09 -0.04 1.67 0.02 1ev111 ARG 222 HG3 -0.50 -0.11 -0.37 -0.04 1.67 0.64 1ev111 ARG 222 HD2 -0.73 0.21 0.04 -0.04 3.22 2.70 1ev111 ARG 222 HD3 -2.59 -0.07 -0.04 -0.04 3.22 0.48 1ev111 HIS 223 H 0.17 0.29 0.24 -0.55 8.41 8.56 1ev111 HIS 223 HA 0.04 0.15 1.02 -0.75 4.63 5.08 1ev111 HIS 223 HB2 0.03 0.07 0.14 -0.04 3.26 3.46 1ev111 HIS 223 HB3 -0.04 -0.08 0.11 -0.04 3.20 3.16 1ev111 HIS 223 HD2 -0.11 -0.05 -0.04 -0.04 6.97 6.72 1ev111 HIS 223 HE1 0.08 0.29 -0.33 -0.04 7.75 7.74 1ev111 VAL 224 H 0.03 0.51 0.16 -0.55 8.24 8.39 1ev111 VAL 224 HA -0.04 0.19 0.77 -0.75 4.13 4.30 1ev111 VAL 224 HB 0.08 -0.09 -0.03 -0.04 2.12 2.04 1ev111 VAL 224 HG13 0.06 -0.00 -0.07 -0.04 0.97 0.92 1ev111 VAL 224 HG23 0.21 0.00 -0.29 -0.04 0.95 0.83 1ev111 ASN 225 H 0.02 0.02 0.09 -0.55 8.53 8.11 1ev111 ASN 225 HA -0.01 -0.01 0.50 -0.75 4.76 4.49 1ev111 ASN 225 HB2 -0.03 -0.03 0.00 -0.04 2.88 2.78 1ev111 ASN 225 HB3 -0.03 0.16 -0.02 -0.04 2.79 2.87 1ev111 ASN 225 HD21 -0.02 0.39 0.04 -0.04 7.03 7.39 1ev111 ASN 225 HD22 -0.02 0.02 -0.06 -0.04 7.74 7.63 1ev111 LYS 226 H -0.01 0.02 0.14 -0.55 8.42 8.01 1ev111 LYS 226 HA -0.01 0.14 0.53 -0.75 4.32 4.23 1ev111 LYS 226 HB2 -0.01 -0.05 0.03 -0.04 1.87 1.80 1ev111 LYS 226 HB3 -0.01 0.05 0.05 -0.04 1.79 1.84 1ev111 LYS 226 HG2 -0.01 0.03 0.05 -0.04 1.46 1.49 1ev111 LYS 226 HG3 -0.01 -0.02 0.09 -0.04 1.46 1.48 1ev111 LYS 226 HD2 -0.00 -0.02 0.02 -0.04 1.69 1.64 1ev111 LYS 226 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.63 1ev111 LYS 226 HE2 -0.00 0.05 0.00 -0.04 2.99 3.00 1ev111 LYS 226 HE3 -0.00 -0.01 0.01 -0.04 2.99 2.95 1ev111 PRO 227 HA -0.06 0.02 0.38 -0.51 4.44 4.26 1ev111 PRO 227 HB2 -0.02 0.05 -0.16 -0.04 2.28 2.11 1ev111 PRO 227 HB3 -0.03 0.07 -0.23 -0.04 2.02 1.79 1ev111 PRO 227 HG2 -0.00 -0.07 -0.10 -0.04 2.03 1.81 1ev111 PRO 227 HG3 -0.00 0.03 -0.22 -0.04 2.03 1.80 1ev111 PRO 227 HD2 -0.01 0.00 0.15 -0.04 3.68 3.78 1ev111 PRO 227 HD3 -0.01 0.28 0.18 -0.04 3.65 4.06 1ev111 ASN 228 H -0.05 0.08 0.10 -0.55 8.53 8.11 1ev111 ASN 228 HA -0.02 0.13 0.64 -0.75 4.76 4.75 1ev111 ASN 228 HB2 -0.03 0.08 0.06 -0.04 2.88 2.94 1ev111 ASN 228 HB3 -0.02 -0.05 -0.01 -0.04 2.79 2.67 1ev111 ASN 228 HD21 -0.03 0.05 0.02 -0.04 7.03 7.02 1ev111 ASN 228 HD22 -0.05 -0.03 0.03 -0.04 7.74 7.66 1ev111 PRO 229 HA -0.01 0.05 0.37 -0.51 4.44 4.33 1ev111 PRO 229 HB2 -0.01 -0.02 -0.01 -0.04 2.28 2.19 1ev111 PRO 229 HB3 -0.01 0.00 0.07 -0.04 2.02 2.04 1ev111 PRO 229 HG2 -0.01 0.01 0.05 -0.04 2.03 2.04 1ev111 PRO 229 HG3 -0.01 0.04 0.06 -0.04 2.03 2.08 1ev111 PRO 229 HD2 -0.01 0.11 0.13 -0.04 3.68 3.86 1ev111 PRO 229 HD3 -0.01 0.17 0.15 -0.04 3.65 3.92 1ev111 ALA 230 H -0.01 0.12 -0.24 -0.55 8.40 7.72 1ev111 ALA 230 HA -0.01 0.12 0.98 -0.75 4.34 4.68 1ev111 ALA 230 HB3 -0.01 -0.03 -0.23 -0.04 1.41 1.10 1ev111 ALA 231 H -0.01 0.05 0.07 -0.55 8.40 7.96 1ev111 ALA 231 HA -0.04 0.16 0.52 -0.75 4.34 4.23 1ev111 ALA 231 HB3 -0.01 -0.01 0.09 -0.04 1.41 1.45 1ev111 ILE 232 H -0.07 0.18 0.31 -0.55 8.25 8.12 1ev111 ILE 232 HA -0.02 0.11 1.00 -0.75 4.18 4.51 1ev111 ILE 232 HB -0.08 -0.04 0.15 -0.04 1.89 1.88 1ev111 ILE 232 HG12 -0.02 -0.03 -0.03 -0.04 1.49 1.38 1ev111 ILE 232 HG13 -0.03 0.09 -0.42 -0.04 1.21 0.81 1ev111 ILE 232 HG23 0.02 0.01 -0.22 -0.04 0.93 0.70 1ev111 ILE 232 HD13 -0.03 -0.01 -0.03 -0.04 0.88 0.78 1ev111 THR 233 H -0.01 0.58 0.27 -0.55 8.28 8.58 1ev111 THR 233 HA 0.02 0.20 0.96 -0.75 4.39 4.82 1ev111 THR 233 HB -0.03 -0.02 0.05 -0.04 4.32 4.28 1ev111 THR 233 HG23 -0.05 0.00 -0.20 -0.04 1.22 0.93 1ev111 SER 234 H -0.15 0.70 0.30 -0.55 8.46 8.77 1ev111 SER 234 HA -0.11 0.33 1.30 -0.75 4.49 5.26 1ev111 SER 234 HB2 -1.04 0.05 0.03 -0.04 3.95 2.95 1ev111 SER 234 HB3 -0.26 -0.03 -0.13 -0.04 3.93 3.47 1ev111 VAL 235 H -0.19 0.71 0.30 -0.55 8.24 8.52 1ev111 VAL 235 HA -0.23 0.33 1.04 -0.75 4.13 4.51 1ev111 VAL 235 HB -0.18 -0.04 -0.21 -0.04 2.12 1.64 1ev111 VAL 235 HG13 -0.21 0.01 0.02 -0.04 0.97 0.76 1ev111 VAL 235 HG23 -0.26 0.00 -0.25 -0.04 0.95 0.40 1ev111 ALA 236 H -0.19 0.57 0.25 -0.55 8.40 8.48 1ev111 ALA 236 HA -0.17 0.22 1.05 -0.75 4.34 4.69 1ev111 ALA 236 HB3 -0.28 -0.00 -0.07 -0.04 1.41 1.02 1ev111 ARG 237 H -0.14 0.75 0.26 -0.55 8.46 8.78 1ev111 ARG 237 HA -0.26 0.20 1.15 -0.75 4.34 4.67 1ev111 ARG 237 HB2 0.02 0.00 0.27 -0.04 1.90 2.15 1ev111 ARG 237 HB3 -0.39 -0.01 0.00 -0.04 1.80 1.37 1ev111 ARG 237 HG2 -0.18 -0.02 -0.04 -0.04 1.67 1.39 1ev111 ARG 237 HG3 -0.23 0.01 -0.15 -0.04 1.67 1.26 1ev111 ARG 237 HD2 -0.10 0.03 0.00 -0.04 3.22 3.12 1ev111 ARG 237 HD3 0.03 -0.02 -0.01 -0.04 3.22 3.18 1ev111 ILE 238 H -0.38 0.63 0.32 -0.55 8.25 8.27 1ev111 ILE 238 HA -0.04 0.13 0.79 -0.75 4.18 4.30 1ev111 ILE 238 HB -0.50 -0.02 0.17 -0.04 1.89 1.50 1ev111 ILE 238 HG12 0.32 0.00 -0.13 -0.04 1.49 1.64 1ev111 ILE 238 HG13 0.11 -0.02 -0.25 -0.04 1.21 1.00 1ev111 ILE 238 HG23 0.07 0.00 -0.18 -0.04 0.93 0.78 1ev111 ILE 238 HD13 -0.30 0.03 -0.12 -0.04 0.88 0.44 1ev111 TYR 239 H 0.13 0.72 0.38 -0.55 8.29 8.97 1ev111 TYR 239 HA -0.10 0.17 1.05 -0.75 4.56 4.93 1ev111 TYR 239 HB2 -0.01 0.12 0.15 -0.04 3.06 3.28 1ev111 TYR 239 HB3 -0.01 0.00 -0.19 -0.04 2.98 2.74 1ev111 TYR 239 HD2 -0.07 0.09 -0.32 -0.04 7.15 6.82 1ev111 TYR 239 HE2 -0.09 -0.04 -0.02 -0.04 6.85 6.66 1ev111 PHE 240 H 0.12 0.69 0.32 -0.55 8.34 8.92 1ev111 PHE 240 HA 0.04 0.27 1.15 -0.75 4.62 5.33 1ev111 PHE 240 HB2 -0.00 0.00 0.10 -0.04 3.15 3.21 1ev111 PHE 240 HB3 -0.02 0.01 -0.13 -0.04 3.06 2.88 1ev111 PHE 240 HD2 0.06 0.12 -0.22 -0.04 7.28 7.19 1ev111 PHE 240 HE2 0.15 -0.03 -0.21 -0.04 7.38 7.25 1ev111 PHE 240 HZ 0.18 -0.02 -0.17 -0.04 7.32 7.27 1ev111 LYS 241 H 0.06 0.41 0.13 -0.55 8.42 8.47 1ev111 LYS 241 HA -0.03 0.33 0.79 -0.75 4.32 4.65 1ev111 LYS 241 HB2 0.01 -0.05 -0.14 -0.04 1.87 1.64 1ev111 LYS 241 HB3 -0.02 -0.10 0.17 -0.04 1.79 1.80 1ev111 LYS 241 HG2 -0.08 -0.03 -0.39 -0.04 1.46 0.92 1ev111 LYS 241 HG3 -0.06 0.10 -0.36 -0.04 1.46 1.10 1ev111 LYS 241 HD2 -0.04 0.27 -0.30 -0.04 1.69 1.57 1ev111 LYS 241 HD3 -0.03 -0.10 -0.14 -0.04 1.68 1.38 1ev111 LYS 241 HE2 -0.04 -0.06 -0.06 -0.04 2.99 2.78 1ev111 LYS 241 HE3 -0.06 -0.00 -0.10 -0.04 2.99 2.79 1ev111 PRO 242 HA -0.32 0.18 0.76 -0.51 4.44 4.56 1ev111 PRO 242 HB2 -0.50 -0.04 -0.02 -0.04 2.28 1.68 1ev111 PRO 242 HB3 -1.69 0.00 -0.02 -0.04 2.02 0.27 1ev111 PRO 242 HG2 -0.31 0.08 0.05 -0.04 2.03 1.81 1ev111 PRO 242 HG3 -0.51 -0.02 -0.02 -0.04 2.03 1.44 1ev111 PRO 242 HD2 -0.15 0.40 0.18 -0.04 3.68 4.08 1ev111 PRO 242 HD3 -0.13 0.03 -0.19 -0.04 3.65 3.32 1ev111 LYS 243 H -0.08 0.55 0.33 -0.55 8.42 8.67 1ev111 LYS 243 HA -0.12 0.18 0.95 -0.75 4.32 4.58 1ev111 LYS 243 HB2 -0.42 -0.08 0.09 -0.04 1.87 1.42 1ev111 LYS 243 HB3 -0.18 0.04 -0.07 -0.04 1.79 1.54 1ev111 LYS 243 HG2 -0.14 0.02 -0.18 -0.04 1.46 1.12 1ev111 LYS 243 HG3 -0.45 -0.04 -0.28 -0.04 1.46 0.65 1ev111 LYS 243 HD2 -0.41 -0.01 -0.07 -0.04 1.69 1.16 1ev111 LYS 243 HD3 -0.15 0.01 -0.07 -0.04 1.68 1.43 1ev111 LYS 243 HE2 -0.05 -0.00 -0.24 -0.04 2.99 2.66 1ev111 LYS 243 HE3 -0.05 -0.01 -0.15 -0.04 2.99 2.73 1ev111 HIS 244 H -0.09 0.14 0.14 -0.55 8.41 8.05 1ev111 HIS 244 HA 0.00 0.16 0.37 -0.75 4.63 4.41 1ev111 HIS 244 HB2 0.06 -0.04 0.15 -0.04 3.26 3.39 1ev111 HIS 244 HB3 0.02 -0.06 -0.05 -0.04 3.20 3.07 1ev111 HIS 244 HD2 0.01 0.12 0.17 -0.04 6.97 7.22 1ev111 HIS 244 HE1 0.02 -0.01 -0.02 -0.04 7.75 7.70 1ev111 VAL 245 H 0.03 -0.02 -0.26 -0.55 8.24 7.45 1ev111 VAL 245 HA 0.13 0.25 0.44 -0.75 4.13 4.20 1ev111 VAL 245 HB -0.05 -0.14 -0.16 -0.04 2.12 1.72 1ev111 VAL 245 HG13 0.03 0.01 -0.24 -0.04 0.97 0.72 1ev111 VAL 245 HG23 -0.06 -0.02 -0.29 -0.04 0.95 0.55 1ev111 ARG 246 H -0.04 0.67 0.37 -0.55 8.46 8.91 1ev111 ARG 246 HA -0.35 0.10 0.72 -0.75 4.34 4.05 1ev111 ARG 246 HB2 -0.36 -0.03 0.16 -0.04 1.90 1.64 1ev111 ARG 246 HB3 -0.85 -0.01 0.07 -0.04 1.80 0.97 1ev111 ARG 246 HG2 -0.17 0.05 0.01 -0.04 1.67 1.51 1ev111 ARG 246 HG3 -0.10 0.10 -0.18 -0.04 1.67 1.45 1ev111 ARG 246 HD2 -0.02 -0.04 -0.01 -0.04 3.22 3.10 1ev111 ARG 246 HD3 0.07 -0.00 0.00 -0.04 3.22 3.25 1ev111 ALA 247 H -0.68 0.19 0.16 -0.55 8.40 7.52 1ev111 ALA 247 HA -0.25 0.29 1.25 -0.75 4.34 4.87 1ev111 ALA 247 HB3 -0.54 0.01 -0.05 -0.04 1.41 0.78 1ev111 TRP 248 H 0.42 0.80 0.35 -0.55 7.97 8.99 1ev111 TRP 248 HA 0.11 0.16 1.07 -0.75 4.62 5.20 1ev111 TRP 248 HB2 0.31 -0.02 0.04 -0.04 3.23 3.52 1ev111 TRP 248 HB3 0.21 -0.03 0.02 -0.04 3.23 3.39 1ev111 TRP 248 HD1 0.05 -0.02 0.01 -0.04 7.22 7.23 1ev111 TRP 248 HE1 -0.01 -0.01 -0.05 -0.04 10.20 10.10 1ev111 TRP 248 HE3 0.12 0.09 -0.40 -0.04 7.59 7.36 1ev111 TRP 248 HZ2 -0.06 0.01 -0.06 -0.04 7.44 7.29 1ev111 TRP 248 HZ3 -0.10 -0.05 -0.18 -0.04 7.13 6.76 1ev111 TRP 248 HH2 -0.16 0.04 -0.03 -0.04 7.19 7.00 1ev111 VAL 249 H 0.31 0.12 0.16 -0.55 8.24 8.27 1ev111 VAL 249 HA 0.16 0.08 0.45 -0.75 4.13 4.06 1ev111 VAL 249 HB 0.10 -0.01 0.20 -0.04 2.12 2.37 1ev111 VAL 249 HG13 0.05 0.03 -0.02 -0.04 0.97 0.99 1ev111 VAL 249 HG23 0.28 -0.02 -0.05 -0.04 0.95 1.12 1ev111 PRO 250 HA 0.09 0.28 0.68 -0.51 4.44 4.99 1ev111 PRO 250 HB2 0.00 0.04 -0.04 -0.04 2.28 2.24 1ev111 PRO 250 HB3 0.08 0.05 0.11 -0.04 2.02 2.22 1ev111 PRO 250 HG2 0.04 0.01 0.08 -0.04 2.03 2.12 1ev111 PRO 250 HG3 0.09 0.01 0.06 -0.04 2.03 2.15 1ev111 PRO 250 HD2 0.09 0.07 0.24 -0.04 3.68 4.03 1ev111 PRO 250 HD3 0.14 0.01 0.16 -0.04 3.65 3.91 1ev111 ARG 251 H -0.13 0.77 0.27 -0.55 8.46 8.82 1ev111 ARG 251 HA -0.07 0.10 0.86 -0.75 4.34 4.47 1ev111 ARG 251 HB2 -0.09 0.14 -0.07 -0.04 1.90 1.84 1ev111 ARG 251 HB3 -0.15 -0.01 0.03 -0.04 1.80 1.64 1ev111 ARG 251 HG2 -0.09 -0.05 -0.23 -0.04 1.67 1.26 1ev111 ARG 251 HG3 -0.00 0.03 -0.39 -0.04 1.67 1.26 1ev111 ARG 251 HD2 0.05 -0.13 -0.20 -0.04 3.22 2.90 1ev111 ARG 251 HD3 0.06 0.30 -0.19 -0.04 3.22 3.35 1ev111 PRO 252 HA -0.08 0.09 0.68 -0.51 4.44 4.62 1ev111 PRO 252 HB2 -0.10 0.06 -0.02 -0.04 2.28 2.18 1ev111 PRO 252 HB3 -0.07 -0.01 0.11 -0.04 2.02 2.00 1ev111 PRO 252 HG2 -0.11 -0.01 0.07 -0.04 2.03 1.94 1ev111 PRO 252 HG3 -0.08 -0.00 0.07 -0.04 2.03 1.98 1ev111 PRO 252 HD2 -0.12 0.08 0.21 -0.04 3.68 3.81 1ev111 PRO 252 HD3 -0.08 0.13 0.11 -0.04 3.65 3.77 1ev111 PRO 253 HA -0.05 0.11 0.54 -0.51 4.44 4.53 1ev111 PRO 253 HB2 -0.04 0.04 -0.08 -0.04 2.28 2.16 1ev111 PRO 253 HB3 -0.03 0.05 0.07 -0.04 2.02 2.07 1ev111 PRO 253 HG2 -0.05 -0.02 0.06 -0.04 2.03 1.97 1ev111 PRO 253 HG3 -0.07 0.04 0.07 -0.04 2.03 2.04 1ev111 PRO 253 HD2 -0.07 0.01 0.23 -0.04 3.68 3.81 1ev111 PRO 253 HD3 -0.09 0.28 0.25 -0.04 3.65 4.04 1ev111 ARG 254 H -0.01 0.12 0.06 -0.55 8.46 8.08 1ev111 ARG 254 HA -0.12 -0.05 0.39 -0.75 4.34 3.82 1ev111 ARG 254 HB2 -0.01 0.02 0.08 -0.04 1.90 1.95 1ev111 ARG 254 HB3 -0.10 -0.05 0.12 -0.04 1.80 1.73 1ev111 ARG 254 HG2 -1.13 -0.09 -0.06 -0.04 1.67 0.35 1ev111 ARG 254 HG3 -0.37 0.18 -0.31 -0.04 1.67 1.12 1ev111 ARG 254 HD2 -0.20 -0.14 -0.03 -0.04 3.22 2.81 1ev111 ARG 254 HD3 -0.08 -0.03 -0.05 -0.04 3.22 3.03 1ev111 LEU 255 H -0.14 0.04 0.17 -0.55 8.37 7.89 1ev111 LEU 255 HA -0.08 0.14 0.67 -0.75 4.35 4.32 1ev111 LEU 255 HB2 -0.08 0.07 0.07 -0.04 1.64 1.65 1ev111 LEU 255 HB3 -0.11 -0.13 0.12 -0.04 1.64 1.48 1ev111 LEU 255 HG -0.04 -0.03 -0.34 -0.04 1.64 1.18 1ev111 LEU 255 HD13 -0.04 0.03 -0.02 -0.04 0.93 0.86 1ev111 LEU 255 HD23 -0.04 0.01 -0.17 -0.04 0.89 0.64 1ev111 CYS 256 H -0.14 -0.03 0.04 -0.55 8.50 7.82 1ev111 CYS 256 HA -0.02 0.14 0.58 -0.75 4.58 4.52 1ev111 CYS 256 HB2 -0.02 -0.04 -0.00 -0.04 2.97 2.87 1ev111 CYS 256 HB3 0.14 0.10 0.05 -0.04 2.97 3.22 1ev111 PRO 257 HA -0.14 0.05 0.54 -0.51 4.44 4.38 1ev111 PRO 257 HB2 0.03 0.08 -0.03 -0.04 2.28 2.31 1ev111 PRO 257 HB3 0.00 -0.01 0.10 -0.04 2.02 2.07 1ev111 PRO 257 HG2 0.02 -0.01 0.08 -0.04 2.03 2.08 1ev111 PRO 257 HG3 0.00 0.02 0.08 -0.04 2.03 2.09 1ev111 PRO 257 HD2 0.03 0.09 0.23 -0.04 3.68 3.98 1ev111 PRO 257 HD3 -0.01 0.22 0.20 -0.04 3.65 4.01 1ev111 TYR 258 H -0.09 0.05 0.11 -0.55 8.29 7.82 1ev111 TYR 258 HA 0.10 0.14 0.54 -0.75 4.56 4.59 1ev111 TYR 258 HB2 0.04 -0.07 0.01 -0.04 3.06 3.01 1ev111 TYR 258 HB3 0.07 0.05 -0.10 -0.04 2.98 2.96 1ev111 TYR 258 HD2 0.06 -0.04 0.01 -0.04 7.15 7.14 1ev111 TYR 258 HE2 0.05 0.03 0.00 -0.04 6.85 6.89 1ev111 ILE 259 H 0.23 0.24 0.18 -0.55 8.25 8.35 1ev111 ILE 259 HA 0.10 0.18 0.92 -0.75 4.18 4.62 1ev111 ILE 259 HB 0.11 0.03 0.10 -0.04 1.89 2.09 1ev111 ILE 259 HG12 0.06 -0.02 -0.10 -0.04 1.49 1.40 1ev111 ILE 259 HG13 0.11 0.16 -0.40 -0.04 1.21 1.04 1ev111 ILE 259 HG23 0.05 -0.03 -0.09 -0.04 0.93 0.81 1ev111 ILE 259 HD13 0.04 -0.04 -0.16 -0.04 0.88 0.68 1ev111 ASN 260 H 0.15 0.19 0.19 -0.55 8.53 8.51 1ev111 ASN 260 HA 0.07 0.27 1.00 -0.75 4.76 5.34 1ev111 ASN 260 HB2 0.09 -0.07 0.16 -0.04 2.88 3.02 1ev111 ASN 260 HB3 0.05 -0.10 0.10 -0.04 2.79 2.80 1ev111 ASN 260 HD21 0.04 0.05 -0.05 -0.04 7.03 7.03 1ev111 ASN 260 HD22 0.07 -0.07 0.02 -0.04 7.74 7.71 1ev111 SER 261 H 0.05 0.14 0.17 -0.55 8.46 8.28 1ev111 SER 261 HA 0.06 0.34 0.55 -0.75 4.49 4.68 1ev111 SER 261 HB2 0.03 -0.03 -0.23 -0.04 3.95 3.67 1ev111 SER 261 HB3 0.03 0.06 0.08 -0.04 3.93 4.06 1ev111 THR 262 H 0.05 -0.04 -0.13 -0.55 8.28 7.61 1ev111 THR 262 HA 0.02 0.14 0.62 -0.75 4.39 4.41 1ev111 THR 262 HB -0.00 -0.06 0.06 -0.04 4.32 4.28 1ev111 THR 262 HG23 -0.06 -0.00 -0.10 -0.04 1.22 1.01 1ev111 ASN 263 H 0.05 0.11 -0.11 -0.55 8.53 8.04 1ev111 ASN 263 HA -0.54 0.23 1.05 -0.75 4.76 4.75 1ev111 ASN 263 HB2 -0.01 -0.05 0.11 -0.04 2.88 2.89 1ev111 ASN 263 HB3 -0.08 0.06 -0.13 -0.04 2.79 2.60 1ev111 ASN 263 HD21 0.03 0.02 -0.01 -0.04 7.03 7.04 1ev111 ASN 263 HD22 0.01 0.04 -0.03 -0.04 7.74 7.72 1ev111 VAL 264 H 0.09 0.11 0.14 -0.55 8.24 8.03 1ev111 VAL 264 HA 0.42 0.25 0.50 -0.75 4.13 4.55 1ev111 VAL 264 HB 0.44 -0.08 0.14 -0.04 2.12 2.59 1ev111 VAL 264 HG13 0.25 -0.01 0.00 -0.04 0.97 1.17 1ev111 VAL 264 HG23 0.45 0.03 0.08 -0.04 0.95 1.47 1ev111 ASN 265 H 0.18 0.03 -0.51 -0.55 8.53 7.68 1ev111 ASN 265 HA 0.25 0.05 0.27 -0.75 4.76 4.58 1ev111 ASN 265 HB2 0.10 -0.08 0.02 -0.04 2.88 2.88 1ev111 ASN 265 HB3 0.03 0.08 -0.11 -0.04 2.79 2.75 1ev111 ASN 265 HD21 0.03 -0.00 -0.01 -0.04 7.03 7.00 1ev111 ASN 265 HD22 0.02 0.01 -0.03 -0.04 7.74 7.71 1ev111 PHE 266 H -0.08 0.20 0.22 -0.55 8.34 8.13 1ev111 PHE 266 HA 0.04 0.23 0.80 -0.75 4.62 4.93 1ev111 PHE 266 HB2 -0.01 0.04 -0.03 -0.04 3.15 3.12 1ev111 PHE 266 HB3 0.03 0.11 -0.27 -0.04 3.06 2.89 1ev111 PHE 266 HD2 0.02 0.08 -0.19 -0.04 7.28 7.15 1ev111 PHE 266 HE2 0.01 -0.03 -0.07 -0.04 7.38 7.25 1ev111 PHE 266 HZ 0.00 -0.02 -0.03 -0.04 7.32 7.23 1ev111 GLU 267 H 0.08 0.26 0.14 -0.55 8.60 8.53 1ev111 GLU 267 HA -0.27 0.22 0.93 -0.75 4.29 4.42 1ev111 GLU 267 HB2 -0.04 0.05 0.08 -0.04 2.09 2.13 1ev111 GLU 267 HB3 -0.07 -0.02 0.03 -0.04 1.99 1.88 1ev111 GLU 267 HG2 0.02 -0.02 0.05 -0.04 2.34 2.35 1ev111 GLU 267 HG3 0.02 0.05 -0.02 -0.04 2.34 2.34 1ev111 PRO 268 HA 0.29 -0.00 0.13 -0.51 4.44 4.35 1ev111 PRO 268 HB2 0.06 0.03 -0.01 -0.04 2.28 2.32 1ev111 PRO 268 HB3 0.14 0.02 0.07 -0.04 2.02 2.21 1ev111 PRO 268 HG2 -0.00 0.01 0.08 -0.04 2.03 2.08 1ev111 PRO 268 HG3 -0.01 0.03 0.08 -0.04 2.03 2.08 1ev111 PRO 268 HD2 -0.05 0.08 0.17 -0.04 3.68 3.84 1ev111 PRO 268 HD3 -0.18 0.15 0.22 -0.04 3.65 3.81 1ev111 LYS 269 H 0.10 0.09 0.16 -0.55 8.42 8.21 1ev111 LYS 269 HA 0.03 0.19 0.92 -0.75 4.32 4.71 1ev111 LYS 269 HB2 0.02 -0.02 -0.03 -0.04 1.87 1.80 1ev111 LYS 269 HB3 0.01 0.05 0.11 -0.04 1.79 1.92 1ev111 LYS 269 HG2 0.08 0.08 -0.01 -0.04 1.46 1.58 1ev111 LYS 269 HG3 0.02 0.01 0.07 -0.04 1.46 1.52 1ev111 LYS 269 HD2 0.03 0.16 -0.16 -0.04 1.69 1.68 1ev111 LYS 269 HD3 0.04 -0.02 -0.08 -0.04 1.68 1.58 1ev111 LYS 269 HE2 0.01 -0.01 0.04 -0.04 2.99 2.99 1ev111 LYS 269 HE3 0.01 0.01 0.06 -0.04 2.99 3.04 1ev111 PRO 270 HA 0.01 0.03 0.68 -0.51 4.44 4.65 1ev111 PRO 270 HB2 -0.00 0.18 0.00 -0.04 2.28 2.42 1ev111 PRO 270 HB3 0.00 -0.03 0.12 -0.04 2.02 2.07 1ev111 PRO 270 HG2 0.00 0.05 0.08 -0.04 2.03 2.12 1ev111 PRO 270 HG3 0.00 0.00 0.08 -0.04 2.03 2.07 1ev111 PRO 270 HD2 0.01 0.12 0.22 -0.04 3.68 3.99 1ev111 PRO 270 HD3 0.01 0.15 0.14 -0.04 3.65 3.91 1ev111 VAL 271 H -0.00 0.07 0.15 -0.55 8.24 7.91 1ev111 VAL 271 HA -0.02 0.10 0.41 -0.75 4.13 3.86 1ev111 VAL 271 HB -0.01 -0.06 0.14 -0.04 2.12 2.16 1ev111 VAL 271 HG13 -0.01 -0.00 -0.10 -0.04 0.97 0.81 1ev111 VAL 271 HG23 -0.01 0.01 0.06 -0.04 0.95 0.96 1ev111 THR 272 H -0.01 0.12 -0.23 -0.55 8.28 7.61 1ev111 THR 272 HA -0.01 0.17 0.52 -0.75 4.39 4.32 1ev111 THR 272 HB -0.01 0.08 -0.23 -0.04 4.32 4.12 1ev111 THR 272 HG23 -0.01 0.01 -0.22 -0.04 1.22 0.96 1ev111 GLU 273 H -0.01 0.12 0.10 -0.55 8.60 8.27 1ev111 GLU 273 HA -0.00 0.11 0.72 -0.75 4.29 4.36 1ev111 GLU 273 HB2 -0.01 -0.01 0.11 -0.04 2.09 2.14 1ev111 GLU 273 HB3 -0.00 0.03 -0.02 -0.04 1.99 1.95 1ev111 GLU 273 HG2 -0.00 0.02 0.07 -0.04 2.34 2.39 1ev111 GLU 273 HG3 -0.00 0.02 0.07 -0.04 2.34 2.38 1ev111 VAL 274 H -0.00 0.09 0.13 -0.55 8.24 7.91 1ev111 VAL 274 HA -0.00 0.11 0.58 -0.75 4.13 4.06 1ev111 VAL 274 HB -0.00 -0.03 0.07 -0.04 2.12 2.12 1ev111 VAL 274 HG13 -0.00 -0.01 -0.12 -0.04 0.97 0.81 1ev111 VAL 274 HG23 -0.00 0.01 0.01 -0.04 0.95 0.93 1ev111 ARG 275 H -0.00 0.19 0.12 -0.55 8.46 8.21 1ev111 ARG 275 HA -0.00 0.22 0.88 -0.75 4.34 4.68 1ev111 ARG 275 HB2 -0.00 -0.07 0.03 -0.04 1.90 1.82 1ev111 ARG 275 HB3 -0.00 0.08 -0.11 -0.04 1.80 1.73 1ev111 ARG 275 HG2 -0.00 -0.02 -0.01 -0.04 1.67 1.59 1ev111 ARG 275 HG3 -0.00 -0.02 -0.24 -0.04 1.67 1.37 1ev111 ARG 275 HD2 -0.00 -0.00 -0.07 -0.04 3.22 3.10 1ev111 ARG 275 HD3 -0.00 0.00 -0.06 -0.04 3.22 3.12 1ev111 THR 276 H -0.00 0.15 0.10 -0.55 8.28 7.98 1ev111 THR 276 HA -0.00 0.03 0.30 -0.75 4.39 3.96 1ev111 THR 276 HB -0.00 0.03 -0.03 -0.04 4.32 4.28 1ev111 THR 276 HG23 -0.00 0.00 -0.01 -0.04 1.22 1.17 1ev111 ASN 277 H -0.00 0.18 -0.27 -0.55 8.53 7.89 1ev111 ASN 277 HA -0.00 0.10 0.44 -0.75 4.76 4.54 1ev111 ASN 277 HB2 -0.00 0.09 -0.17 -0.04 2.88 2.75 1ev111 ASN 277 HB3 -0.00 0.26 -0.06 -0.04 2.79 2.94 1ev111 ASN 277 HD21 -0.00 -0.03 0.09 -0.04 7.03 7.05 1ev111 ASN 277 HD22 -0.00 0.14 0.17 -0.04 7.74 8.00 1ev111 ILE 278 H -0.00 0.15 0.10 -0.55 8.25 7.95 1ev111 ILE 278 HA -0.00 0.10 0.46 -0.75 4.18 3.98 1ev111 ILE 278 HB -0.00 0.00 0.12 -0.04 1.89 1.97 1ev111 ILE 278 HG12 -0.00 0.01 0.03 -0.04 1.49 1.49 1ev111 ILE 278 HG13 -0.00 0.02 0.11 -0.04 1.21 1.30 1ev111 ILE 278 HG23 -0.00 -0.00 -0.06 -0.04 0.93 0.82 1ev111 ILE 278 HD13 -0.00 0.00 0.02 -0.04 0.88 0.85 1ev111 ILE 279 H -0.00 0.04 -0.32 -0.55 8.25 7.43 1ev111 ILE 279 HA -0.00 0.17 0.84 -0.75 4.18 4.44 1ev111 ILE 279 HB -0.00 -0.05 0.11 -0.04 1.89 1.91 1ev111 ILE 279 HG12 -0.00 0.08 -0.02 -0.04 1.49 1.50 1ev111 ILE 279 HG13 -0.00 -0.11 -0.25 -0.04 1.21 0.81 1ev111 ILE 279 HG23 -0.00 0.01 -0.10 -0.04 0.93 0.80 1ev111 ILE 279 HD13 -0.00 -0.00 -0.02 -0.04 0.88 0.82 1ev111 THR 280 H -0.00 0.27 0.01 -0.55 8.28 8.01 1ev111 THR 280 HA -0.00 0.08 0.74 -0.75 4.39 4.45 1ev111 THR 280 HB -0.00 0.06 -0.01 -0.04 4.32 4.32 1ev111 THR 280 HG23 -0.00 0.01 -0.10 -0.04 1.22 1.09 1ev111 THR 281 H -0.00 0.10 0.02 -0.55 8.28 7.85 1ev111 THR 281 HA -0.00 0.26 0.70 -0.75 4.39 4.60 1ev111 THR 281 HB -0.00 -0.00 0.07 -0.04 4.32 4.35 1ev111 THR 281 HG23 -0.00 0.01 0.03 -0.04 1.22 1.22