#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx3 s PHE 300 N 0.00 1.60 -0.11 -0.14 0.40 -1.26 -4.71 117.98 113.76 3jx3 s PHE 300 Ca 0.00 -0.76 -0.02 0.00 -0.60 0.00 0.00 56.93 55.55 3jx3 s PHE 300 Cb 0.00 -1.25 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 3jx3 s PHE 300 CO 0.00 -0.47 -0.01 -0.51 0.70 0.00 0.00 175.22 174.93 3jx3 s LEU 301 N 1.34 3.47 -0.08 -0.37 1.43 -0.54 -4.93 118.68 119.01 3jx3 s LEU 301 Ca -0.01 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3jx3 s LEU 301 Cb -0.14 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3jx3 s LEU 301 CO -0.05 0.31 -0.02 -0.54 0.23 0.00 0.00 176.35 176.28 3jx3 s LYS 302 N -0.47 2.91 0.05 1.70 1.02 -1.26 0.11 119.74 123.80 3jx3 s LYS 302 Ca 0.08 -0.45 0.07 0.00 0.02 0.00 0.00 55.97 55.69 3jx3 s LYS 302 Cb -0.12 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 3jx3 s LYS 302 CO 0.02 0.69 -0.21 0.14 -0.92 0.00 0.00 175.35 175.07 3jx3 s VAL 303 N -0.88 1.67 0.01 3.17 -7.23 -0.66 -4.97 120.40 111.52 3jx3 s VAL 303 Ca 0.13 -1.21 0.08 0.00 -1.81 0.00 0.00 61.98 59.17 3jx3 s VAL 303 Cb -0.11 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 3jx3 s VAL 303 CO 0.02 0.20 -0.24 -0.75 -0.31 0.00 0.00 175.10 174.02 3jx3 s LYS 304 N -1.21 1.75 -0.26 4.82 2.20 -1.26 -0.44 119.74 125.34 3jx3 s LYS 304 Ca 0.07 -0.94 -0.12 0.00 -0.36 0.00 0.00 55.97 54.63 3jx3 s LYS 304 Cb -0.09 -1.80 -0.05 0.00 -1.51 0.00 0.00 37.83 34.38 3jx3 s LYS 304 CO 0.02 0.48 0.22 1.21 -0.36 0.00 0.00 175.35 176.92 3jx3 s ASN 305 N -0.89 6.12 0.00 1.43 3.84 -0.31 -1.85 114.94 123.28 3jx3 s ASN 305 Ca 0.09 0.11 0.29 0.00 0.21 0.00 0.00 52.86 53.57 3jx3 s ASN 305 Cb -0.09 -2.14 1.25 0.00 -0.55 0.00 0.00 41.25 39.72 3jx3 s ASN 305 CO 0.01 -0.03 1.92 0.79 -2.79 0.00 0.00 177.10 176.99 3jx3 n TRP 306 N 4.79 0.00 -0.01 0.43 7.02 -0.15 0.45 117.44 129.96 3jx3 n TRP 306 Ca -0.13 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.14 3jx3 n TRP 306 Cb 0.52 -0.43 -0.14 0.00 -2.42 0.00 0.00 31.31 28.84 3jx3 n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3jx3 n GLU 307 N -1.44 0.74 -0.00 -0.99 2.13 -1.26 -4.56 120.64 115.26 3jx3 n GLU 307 Ca 0.09 0.26 0.07 0.00 0.66 0.00 0.00 57.16 58.23 3jx3 n GLU 307 Cb 0.32 -1.69 -0.08 0.00 0.27 0.00 0.00 31.44 30.26 3jx3 n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3jx3 n THR 308 N -3.49 0.00 -0.84 6.31 -2.24 -1.17 -4.98 114.28 107.87 3jx3 n THR 308 Ca -0.34 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3jx3 n THR 308 Cb 1.03 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 3jx3 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jx3 n ASP 309 N -1.36 -3.40 -4.68 3.42 10.43 0.17 -4.96 116.55 116.17 3jx3 n ASP 309 Ca 0.03 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.96 3jx3 n ASP 309 Cb 0.23 -2.67 -0.03 0.00 1.84 0.00 0.00 41.12 40.49 3jx3 n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3jx3 s VAL 310 N -1.28 2.98 -0.16 2.53 1.01 -1.24 -4.76 120.40 119.48 3jx3 s VAL 310 Ca 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 3jx3 s VAL 310 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 3jx3 s VAL 310 CO 0.00 -0.01 -0.05 -0.69 0.00 0.00 0.00 175.10 174.35 3jx3 s VAL 311 N 3.12 3.71 0.26 2.92 1.01 -1.26 -1.16 120.40 129.01 3jx3 s VAL 311 Ca 0.78 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 62.44 3jx3 s VAL 311 Cb -0.41 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3jx3 s VAL 311 CO 0.34 0.49 -0.04 -0.76 0.00 0.00 0.00 175.10 175.13 3jx3 s LEU 312 N 0.49 3.08 -0.17 3.92 1.43 0.42 -4.95 118.68 122.90 3jx3 s LEU 312 Ca -0.04 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 3jx3 s LEU 312 Cb -0.15 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.49 3jx3 s LEU 312 CO 0.03 0.01 -0.14 -0.89 0.23 0.00 0.00 176.35 175.59 3jx3 s THR 313 N -2.31 1.69 -0.31 5.49 2.01 -1.26 -1.65 115.64 119.30 3jx3 s THR 313 Ca 0.31 -0.81 -0.15 0.00 0.31 0.00 0.00 61.69 61.35 3jx3 s THR 313 Cb -0.06 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 3jx3 s THR 313 CO 0.19 0.39 0.36 -0.62 -0.69 0.00 0.00 174.62 174.25 3jx3 s ASP 314 N 1.42 6.20 -0.02 3.53 -1.08 0.31 -4.67 116.67 122.36 3jx3 s ASP 314 Ca 0.03 -0.02 0.16 0.00 -0.52 0.00 0.00 52.55 52.20 3jx3 s ASP 314 Cb -0.14 -2.20 -0.23 0.00 -1.46 0.00 0.00 42.92 38.89 3jx3 s ASP 314 CO -0.10 -0.27 0.41 0.35 0.52 0.00 0.00 175.17 176.08 3jx3 n THR 315 N 5.20 0.00 0.18 1.71 -2.24 0.18 -1.46 114.28 117.85 3jx3 n THR 315 Ca -0.09 -0.31 0.02 0.00 -2.27 0.00 0.00 64.05 61.40 3jx3 n THR 315 Cb 0.50 0.33 0.35 0.00 -2.10 0.00 0.00 70.33 69.42 3jx3 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jx3 h LEU 316 N 0.00 0.00 -2.35 3.22 5.85 -1.32 -2.61 115.31 118.11 3jx3 h LEU 316 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3jx3 h LEU 316 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3jx3 h LEU 316 CO 0.00 0.38 0.20 1.12 -0.34 0.00 0.00 178.44 179.80 3jx3 h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.84 0.18 115.15 116.81 3jx3 h HIS 317 Ca -0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.47 3jx3 h HIS 317 Cb 0.67 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.64 3jx3 h HIS 317 CO 0.00 0.00 -0.21 -0.07 -3.07 0.00 0.00 177.93 174.58 3jx3 h LEU 318 N 0.00 0.00 0.00 6.12 3.38 -1.82 -2.38 115.31 120.61 3jx3 h LEU 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jx3 h LEU 318 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3jx3 h LEU 318 CO 0.00 0.21 0.00 0.29 0.09 0.00 0.00 178.44 179.03 3jx3 n LYS 319 N -4.08 0.85 -2.91 1.13 4.76 0.05 -4.87 118.16 113.10 3jx3 n LYS 319 Ca -0.02 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.02 3jx3 n LYS 319 Cb 0.28 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.93 3jx3 n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3jx3 s SER 320 N -2.10 7.15 -0.08 4.39 0.15 -0.90 -4.93 113.70 117.39 3jx3 s SER 320 Ca 0.42 1.39 -0.01 0.00 0.70 0.00 0.00 55.95 58.45 3jx3 s SER 320 Cb 0.21 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 3jx3 s SER 320 CO 0.37 -0.17 -0.08 0.35 1.20 0.00 0.00 173.24 174.91 3jx3 n THR 321 N 3.78 0.44 -0.73 6.45 -2.24 -1.24 -5.01 114.28 115.72 3jx3 n THR 321 Ca 0.02 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 3jx3 n THR 321 Cb 0.51 -1.11 0.21 0.00 -2.10 0.00 0.00 70.33 67.84 3jx3 n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jx3 s LEU 322 N -5.85 1.60 0.17 3.22 1.43 -1.26 -5.02 118.68 112.97 3jx3 s LEU 322 Ca -0.11 1.65 0.06 0.00 -1.03 0.00 0.00 54.13 54.70 3jx3 s LEU 322 Cb 0.03 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 3jx3 s LEU 322 CO 0.16 -3.62 0.11 -1.61 0.23 0.00 0.00 176.35 171.63 3jx3 s GLU 323 N -4.62 2.80 0.00 1.70 2.02 -1.26 -4.63 118.70 114.72 3jx3 s GLU 323 Ca 0.67 -0.94 0.12 0.00 0.02 0.00 0.00 54.97 54.84 3jx3 s GLU 323 Cb -0.23 -2.58 -0.21 0.00 0.10 0.00 0.00 34.13 31.22 3jx3 s GLU 323 CO 0.61 0.47 0.80 1.79 0.02 0.00 0.00 175.26 178.96 3jx3 h THR 324 N 2.08 0.95 0.00 3.63 1.35 -1.96 -3.48 112.91 115.48 3jx3 h THR 324 Ca -0.48 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 62.65 3jx3 h THR 324 Cb 1.20 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 3jx3 h THR 324 CO 0.62 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 177.04 3jx3 n GLY 325 N 1.49 2.76 3.88 5.82 0.00 -1.26 -4.82 105.19 113.07 3jx3 n GLY 325 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3jx3 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx3 s THR 327 N -2.58 0.43 -0.44 0.00 -4.23 0.65 -4.98 115.64 104.50 3jx3 s THR 327 Ca 0.52 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.21 3jx3 s THR 327 Cb -0.10 -2.52 0.18 0.00 1.34 0.00 0.00 72.50 71.40 3jx3 s THR 327 CO 0.37 0.00 1.56 -0.62 -0.54 0.00 0.00 174.62 175.39 3jx3 n GLU 328 N -0.61 0.12 -0.01 3.99 4.71 -1.26 -2.67 120.64 124.92 3jx3 n GLU 328 Ca -0.00 0.54 0.08 0.00 -0.01 0.00 0.00 57.16 57.77 3jx3 n GLU 328 Cb 0.65 -1.84 -0.12 0.00 -1.01 0.00 0.00 31.44 29.12 3jx3 n GLU 328 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3jx3 n HIS 329 N -2.09 0.00 -3.77 -0.32 8.25 -1.26 -4.99 115.22 111.04 3jx3 n HIS 329 Ca -0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3jx3 n HIS 329 Cb 0.08 -0.33 -0.13 0.00 1.12 0.00 0.00 29.99 30.74 3jx3 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jx3 s ILE 330 N -3.02 -0.02 -0.20 1.59 2.07 -1.09 -5.14 121.20 115.40 3jx3 s ILE 330 Ca -0.05 0.07 -0.07 0.00 -1.41 0.00 0.00 60.65 59.19 3jx3 s ILE 330 Cb 0.10 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.33 3jx3 s ILE 330 CO 0.63 0.03 0.07 0.00 -1.91 0.00 0.00 174.94 173.76 3jx3 n MET 332 N 3.97 2.13 -0.30 0.00 0.00 -1.26 -4.73 117.12 116.93 3jx3 n MET 332 Ca -0.16 -3.11 0.32 0.00 0.00 0.00 0.00 57.70 54.75 3jx3 n MET 332 Cb 0.52 -1.90 0.71 0.00 0.00 0.00 0.00 33.22 32.56 3jx3 n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3jx3 h GLY 333 N 1.18 0.18 -1.86 3.03 0.00 -1.93 -1.63 103.07 102.04 3jx3 h GLY 333 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3jx3 h GLY 333 CO 0.50 -0.02 0.00 -1.14 0.00 0.00 0.00 176.54 175.88 3jx3 n SER 334 N -4.26 3.33 -4.69 0.19 3.41 -1.26 -4.84 113.62 105.49 3jx3 n SER 334 Ca 0.24 -1.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.44 3jx3 n SER 334 Cb 1.15 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.74 3jx3 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jx3 s ILE 335 N -1.02 4.80 0.14 -1.33 -1.09 -0.62 -4.97 121.20 117.12 3jx3 s ILE 335 Ca 0.34 2.04 -0.15 0.00 -2.23 0.00 0.00 60.65 60.65 3jx3 s ILE 335 Cb 0.18 -4.31 0.01 0.00 -1.58 0.00 0.00 42.46 36.75 3jx3 s ILE 335 CO 0.23 0.05 1.69 0.58 -1.23 0.00 0.00 174.94 176.26 3jx3 h VAL 336 N 5.01 1.20 -3.27 2.92 2.07 -1.92 -3.35 116.25 118.92 3jx3 h VAL 336 Ca -0.34 -0.64 -0.64 0.00 0.82 0.00 0.00 66.70 65.91 3jx3 h VAL 336 Cb 1.17 0.81 -0.41 0.00 -1.52 0.00 0.00 31.29 31.34 3jx3 h VAL 336 CO 0.83 0.23 -0.57 -0.76 0.02 0.00 0.00 177.57 177.32 3jx3 s LEU 337 N -9.77 4.61 0.56 2.57 1.43 -1.26 -5.14 118.68 111.68 3jx3 s LEU 337 Ca -0.13 -3.38 0.34 0.00 -1.03 0.00 0.00 54.13 49.94 3jx3 s LEU 337 Cb 0.11 -1.66 1.51 0.00 0.03 0.00 0.00 46.19 46.18 3jx3 s LEU 337 CO 0.76 -0.18 2.04 1.55 0.23 0.00 0.00 176.35 180.76 3jx3 h PRO 338 N 6.06 0.00 -4.98 1.29 0.13 -1.88 -3.53 132.00 129.09 3jx3 h PRO 338 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3jx3 h PRO 338 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3jx3 h PRO 338 CO 0.71 0.02 -0.18 1.55 -0.23 0.00 0.00 178.00 179.87 3jx3 n VAL 348 N -3.14 -9.22 -4.32 1.56 3.14 -1.25 -4.92 118.33 100.17 3jx3 n VAL 348 Ca -0.00 0.22 -0.19 0.00 -2.96 0.00 0.00 64.34 61.40 3jx3 n VAL 348 Cb 0.27 -6.59 -0.11 0.00 -1.06 0.00 0.00 33.84 26.35 3jx3 n VAL 348 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3jx3 s ARG 349 N -2.73 1.25 0.19 1.45 0.52 -1.26 -5.10 118.95 113.27 3jx3 s ARG 349 Ca 0.09 -1.46 -0.05 0.00 -0.52 0.00 0.00 55.73 53.79 3jx3 s ARG 349 Cb -0.03 -1.14 -0.06 0.00 0.52 0.00 0.00 34.95 34.25 3jx3 s ARG 349 CO 0.64 0.21 0.43 0.99 0.02 0.00 0.00 175.30 177.60 3jx3 s THR 350 N -2.53 5.11 0.31 0.02 2.01 -1.26 -4.99 115.64 114.31 3jx3 s THR 350 Ca 0.18 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.27 3jx3 s THR 350 Cb -0.03 -3.66 0.30 0.00 0.01 0.00 0.00 72.50 69.12 3jx3 s THR 350 CO 0.06 -0.07 1.83 0.11 -0.69 0.00 0.00 174.62 175.86 3jx3 h LYS 351 N 2.47 0.83 0.19 4.92 1.57 -1.96 -2.02 116.57 122.57 3jx3 h LYS 351 Ca -0.47 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.27 3jx3 h LYS 351 Cb 1.17 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 3jx3 h LYS 351 CO 0.70 0.55 -0.51 0.22 -0.57 0.00 0.00 179.45 179.84 3jx3 h ASP 352 N 0.86 -1.51 1.23 0.86 3.58 -1.99 -2.94 116.42 116.51 3jx3 h ASP 352 Ca 0.50 0.15 -0.08 0.00 0.42 0.00 0.00 57.03 58.03 3jx3 h ASP 352 Cb 0.65 0.55 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 3jx3 h ASP 352 CO -0.27 -0.57 -0.37 0.06 -2.88 0.00 0.00 179.24 175.20 3jx3 h GLN 353 N -0.79 0.00 -0.07 0.28 3.07 -1.94 -3.38 115.11 112.29 3jx3 h GLN 353 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.62 3jx3 h GLN 353 Cb 0.77 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.34 3jx3 h GLN 353 CO -0.24 0.37 -0.37 1.25 0.09 0.00 0.00 178.83 179.93 3jx3 h LEU 354 N 0.00 0.45 -1.21 0.06 5.85 -1.19 -3.18 115.31 116.09 3jx3 h LEU 354 Ca -0.00 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.06 3jx3 h LEU 354 Cb 1.09 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 3jx3 h LEU 354 CO 0.05 1.03 0.50 0.15 -0.34 0.00 0.00 178.44 179.83 3jx3 h PHE 355 N -0.11 0.99 -0.99 1.25 3.57 -1.70 0.41 116.94 120.36 3jx3 h PHE 355 Ca -0.03 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3jx3 h PHE 355 Cb 1.03 -0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.38 3jx3 h PHE 355 CO 0.13 0.64 0.65 -1.35 -2.23 0.00 0.00 178.31 176.14 3jx3 h PRO 356 N 1.06 1.20 -0.32 6.41 0.10 -1.77 0.23 132.00 138.90 3jx3 h PRO 356 Ca 0.28 -0.07 -0.14 0.00 0.10 0.00 0.00 66.00 66.17 3jx3 h PRO 356 Cb -0.10 -0.27 -0.00 0.00 0.10 0.00 0.00 31.00 30.73 3jx3 h PRO 356 CO -0.06 0.80 -0.33 -0.07 0.10 0.00 0.00 178.00 178.44 3jx3 h LEU 357 N 1.24 0.85 0.12 2.35 3.38 -1.32 -0.56 115.31 121.37 3jx3 h LEU 357 Ca 0.40 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3jx3 h LEU 357 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3jx3 h LEU 357 CO -0.13 1.14 -0.09 0.00 0.09 0.00 0.00 178.44 179.46 3jx3 h ALA 358 N 0.73 -0.20 -0.45 1.53 0.00 -0.68 -1.75 119.26 118.44 3jx3 h ALA 358 Ca 0.05 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3jx3 h ALA 358 Cb 0.91 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3jx3 h ALA 358 CO 0.08 -0.62 0.21 -0.22 0.00 0.00 0.00 179.25 178.70 3jx3 h LYS 359 N -0.22 0.41 -0.29 0.00 3.64 -0.38 0.86 116.57 120.59 3jx3 h LYS 359 Ca -0.01 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3jx3 h LYS 359 Cb 0.19 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3jx3 h LYS 359 CO -0.00 0.27 0.12 1.49 -2.27 0.00 0.00 179.45 179.06 3jx3 h GLU 360 N 0.42 0.26 -0.35 1.90 4.81 -1.04 0.10 114.58 120.69 3jx3 h GLU 360 Ca 0.20 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3jx3 h GLU 360 Cb 0.13 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3jx3 h GLU 360 CO -0.16 0.17 0.18 0.35 -0.73 0.00 0.00 179.01 178.83 3jx3 h PHE 361 N 0.27 0.49 -0.11 0.92 3.57 -0.36 -1.78 116.94 119.94 3jx3 h PHE 361 Ca 0.13 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 3jx3 h PHE 361 Cb 0.07 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3jx3 h PHE 361 CO -0.11 0.40 -0.61 -0.07 -2.23 0.00 0.00 178.31 175.69 3jx3 h LEU 362 N 0.43 0.43 -0.15 0.59 3.38 -0.64 0.13 115.31 119.49 3jx3 h LEU 362 Ca 0.12 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3jx3 h LEU 362 Cb 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3jx3 h LEU 362 CO -0.02 0.94 -0.02 0.44 0.09 0.00 0.00 178.44 179.87 3jx3 h ASP 363 N 0.28 -0.11 0.10 -0.43 3.45 -0.70 0.11 116.42 119.11 3jx3 h ASP 363 Ca -0.01 0.04 0.02 0.00 0.43 0.00 0.00 57.03 57.51 3jx3 h ASP 363 Cb 1.14 0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.96 3jx3 h ASP 363 CO 0.10 -0.04 -0.22 1.56 -1.57 0.00 0.00 179.24 179.08 3jx3 h GLN 364 N 0.02 -0.38 0.21 3.56 4.20 -0.70 -0.73 115.11 121.28 3jx3 h GLN 364 Ca 0.07 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.82 3jx3 h GLN 364 Cb 0.10 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 3jx3 h GLN 364 CO -0.14 -0.25 -0.41 -0.92 -0.67 0.00 0.00 178.83 176.43 3jx3 h TYR 365 N -0.40 -1.15 -0.53 2.96 3.20 -0.68 0.20 116.97 120.58 3jx3 h TYR 365 Ca 0.03 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.93 3jx3 h TYR 365 Cb 0.42 0.48 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 3jx3 h TYR 365 CO -0.21 -0.53 0.35 1.88 -1.64 0.00 0.00 178.16 178.01 3jx3 h TYR 366 N -0.71 0.66 -0.34 -3.82 -1.99 -0.74 -1.51 116.97 108.52 3jx3 h TYR 366 Ca 0.00 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.77 3jx3 h TYR 366 Cb 0.70 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 39.18 3jx3 h TYR 366 CO -0.32 0.41 0.17 0.77 -0.00 0.00 0.00 178.16 179.20 3jx3 h SER 367 N 0.71 0.26 -0.80 3.88 0.02 -0.71 0.40 113.55 117.31 3jx3 h SER 367 Ca 0.20 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 3jx3 h SER 367 Cb -0.07 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 3jx3 h SER 367 CO -0.04 0.19 0.52 0.77 -1.14 0.00 0.00 176.83 177.13 3jx3 h SER 368 N 0.36 0.81 -0.25 3.07 4.64 0.04 -1.86 113.55 120.35 3jx3 h SER 368 Ca 0.14 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3jx3 h SER 368 Cb 0.04 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3jx3 h SER 368 CO -0.09 0.54 0.00 2.30 -0.87 0.00 0.00 176.83 178.71 3jx3 n ILE 369 N -4.47 0.41 -3.62 0.95 -5.35 -0.86 -4.94 119.36 101.48 3jx3 n ILE 369 Ca 0.11 -0.36 -0.21 0.00 -0.27 0.00 0.00 62.75 62.02 3jx3 n ILE 369 Cb 0.16 0.12 0.05 0.00 -1.74 0.00 0.00 39.64 38.23 3jx3 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jx3 n LYS 370 N 0.26 -5.65 -0.94 6.28 4.76 -0.70 -4.91 118.16 117.26 3jx3 n LYS 370 Ca 0.09 0.70 0.02 0.00 -2.87 0.00 0.00 58.31 56.25 3jx3 n LYS 370 Cb 0.25 -5.46 0.01 0.00 -1.84 0.00 0.00 35.03 28.00 3jx3 n LYS 370 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3jx3 n ARG 371 N -4.28 0.00 -2.06 1.97 5.12 0.11 -5.03 116.66 112.49 3jx3 n ARG 371 Ca -0.26 -1.43 -0.42 0.00 -1.93 0.00 0.00 57.85 53.81 3jx3 n ARG 371 Cb 0.66 -0.27 -0.03 0.00 -1.16 0.00 0.00 32.46 31.66 3jx3 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3jx3 s PHE 372 N 0.00 3.06 0.00 -1.55 5.36 -1.15 -1.71 117.98 121.99 3jx3 s PHE 372 Ca 0.15 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 56.87 3jx3 s PHE 372 Cb 0.17 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 3jx3 s PHE 372 CO -0.07 -2.95 0.00 0.41 -1.46 0.00 0.00 175.22 171.14 3jx3 n GLY 373 N 3.66 0.96 3.71 13.12 0.00 -1.26 -5.01 105.19 120.37 3jx3 n GLY 373 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3jx3 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx3 s SER 374 N -2.95 3.61 0.22 1.61 1.04 -0.69 -4.78 113.70 111.75 3jx3 s SER 374 Ca 0.00 1.94 -0.07 0.00 0.48 0.00 0.00 55.95 58.30 3jx3 s SER 374 Cb 0.00 -2.50 0.36 0.00 0.10 0.00 0.00 66.02 63.97 3jx3 s SER 374 CO 0.00 -2.63 1.72 0.50 0.98 0.00 0.00 173.24 173.82 3jx3 h LYS 375 N -1.54 0.36 -0.17 4.02 3.64 -1.96 -1.25 116.57 119.68 3jx3 h LYS 375 Ca -0.45 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 3jx3 h LYS 375 Cb 1.25 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3jx3 h LYS 375 CO 0.47 0.24 0.03 0.00 -2.27 0.00 0.00 179.45 177.92 3jx3 h ALA 376 N 1.49 1.75 0.10 5.00 0.00 -1.91 0.12 119.26 125.82 3jx3 h ALA 376 Ca 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3jx3 h ALA 376 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3jx3 h ALA 376 CO -0.38 0.20 -0.05 1.25 0.00 0.00 0.00 179.25 180.27 3jx3 h HIS 377 N 0.23 -0.13 -0.40 0.00 -0.00 -1.50 -2.68 115.15 110.67 3jx3 h HIS 377 Ca 0.06 -0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.33 3jx3 h HIS 377 Cb 0.11 0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 3jx3 h HIS 377 CO 0.00 0.22 -0.15 0.52 -0.00 0.00 0.00 177.93 178.52 3jx3 h MET 378 N -0.49 0.74 -0.07 5.26 2.07 -0.95 -1.99 114.93 119.50 3jx3 h MET 378 Ca -0.01 -0.26 0.03 0.00 -2.07 0.00 0.00 59.70 57.39 3jx3 h MET 378 Cb 0.40 -0.06 -0.04 0.00 -1.87 0.00 0.00 31.60 30.04 3jx3 h MET 378 CO 0.02 0.85 -0.14 -0.44 1.07 0.00 0.00 176.91 178.27 3jx3 h ASP 379 N 0.67 -0.43 -0.23 1.22 5.19 -0.83 -1.59 116.42 120.42 3jx3 h ASP 379 Ca 0.11 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3jx3 h ASP 379 Cb 0.63 0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 3jx3 h ASP 379 CO 0.04 -0.19 0.12 -0.09 -3.12 0.00 0.00 179.24 176.01 3jx3 h ARG 380 N -0.20 0.32 -0.70 3.56 9.65 -1.23 0.12 114.38 125.90 3jx3 h ARG 380 Ca 0.07 -0.04 0.14 0.00 -1.10 0.00 0.00 59.98 59.06 3jx3 h ARG 380 Cb 0.30 -0.06 -0.10 0.00 -1.39 0.00 0.00 29.97 28.72 3jx3 h ARG 380 CO -0.19 0.29 0.18 -0.07 2.80 0.00 0.00 179.97 182.98 3jx3 h LEU 381 N 0.26 0.06 -0.19 3.80 3.38 -1.30 0.19 115.31 121.50 3jx3 h LEU 381 Ca 0.08 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 3jx3 h LEU 381 Cb 0.07 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3jx3 h LEU 381 CO -0.01 0.00 -0.09 -0.08 0.09 0.00 0.00 178.44 178.35 3jx3 h GLU 382 N 0.30 0.39 -0.88 1.13 4.81 -0.88 0.10 114.58 119.55 3jx3 h GLU 382 Ca 0.38 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3jx3 h GLU 382 Cb 0.61 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 3jx3 h GLU 382 CO -0.46 0.69 0.57 1.49 -0.73 0.00 0.00 179.01 180.57 3jx3 h GLU 383 N 0.08 1.16 -0.14 1.92 4.81 -0.32 -0.65 114.58 121.44 3jx3 h GLU 383 Ca 0.04 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 3jx3 h GLU 383 Cb 0.57 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3jx3 h GLU 383 CO 0.03 0.78 -0.16 0.28 -0.73 0.00 0.00 179.01 179.20 3jx3 h VAL 384 N 1.19 1.35 -0.59 0.32 2.07 -0.60 -1.84 116.25 118.16 3jx3 h VAL 384 Ca 0.32 -1.34 0.12 0.00 0.82 0.00 0.00 66.70 66.61 3jx3 h VAL 384 Cb -0.12 1.90 -0.11 0.00 -1.52 0.00 0.00 31.29 31.44 3jx3 h VAL 384 CO -0.07 0.40 -0.15 -1.13 0.02 0.00 0.00 177.57 176.63 3jx3 h ASN 385 N -0.01 -0.57 -0.44 0.57 -0.00 -0.69 0.44 115.58 114.88 3jx3 h ASN 385 Ca 0.02 0.18 -0.13 0.00 -0.00 0.00 0.00 56.30 56.37 3jx3 h ASN 385 Cb 0.71 0.37 -0.01 0.00 -0.00 0.00 0.00 38.32 39.39 3jx3 h ASN 385 CO 0.04 -0.20 -0.21 0.11 -0.00 0.00 0.00 177.43 177.17 3jx3 h LYS 386 N -0.01 0.95 -0.52 6.67 1.57 -1.12 -1.82 116.57 122.30 3jx3 h LYS 386 Ca 0.28 -0.40 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 3jx3 h LYS 386 Cb 0.44 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3jx3 h LYS 386 CO -0.61 1.06 -0.13 1.49 -0.57 0.00 0.00 179.45 180.69 3jx3 h GLU 387 N 0.82 1.00 0.90 3.15 4.81 -0.75 -0.07 114.58 124.44 3jx3 h GLU 387 Ca 0.11 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 3jx3 h GLU 387 Cb 0.78 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.10 3jx3 h GLU 387 CO 0.06 1.05 -0.43 0.82 -0.73 0.00 0.00 179.01 179.79 3jx3 h ILE 388 N 0.88 0.11 -0.84 2.32 2.04 -0.72 0.57 117.51 121.88 3jx3 h ILE 388 Ca 0.13 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 66.11 3jx3 h ILE 388 Cb 0.69 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 3jx3 h ILE 388 CO 0.05 0.00 0.54 1.05 0.00 0.00 0.00 178.15 179.80 3jx3 h GLU 389 N -1.22 0.66 0.02 2.37 4.11 -1.23 1.62 114.58 120.92 3jx3 h GLU 389 Ca -0.12 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.27 3jx3 h GLU 389 Cb 0.93 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3jx3 h GLU 389 CO 0.20 0.44 -0.01 1.03 0.07 0.00 0.00 179.01 180.74 3jx3 h SER 390 N 0.68 -0.02 -0.00 3.06 0.87 -0.87 -3.40 113.55 113.87 3jx3 h SER 390 Ca 0.40 -0.72 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 3jx3 h SER 390 Cb 0.61 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3jx3 h SER 390 CO -0.17 0.79 -0.38 0.35 -0.53 0.00 0.00 176.83 176.89 3jx3 n THR 391 N -4.70 0.00 -0.44 2.23 -2.24 0.20 -5.00 114.28 104.32 3jx3 n THR 391 Ca -0.08 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3jx3 n THR 391 Cb 0.36 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 3jx3 n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3jx3 n SER 392 N -0.85 0.00 -0.48 3.42 7.64 0.55 -4.94 113.62 118.96 3jx3 n SER 392 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3jx3 n SER 392 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3jx3 n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3jx3 n THR 393 N -2.00 0.00 -3.52 0.44 5.66 -1.26 -4.76 114.28 108.85 3jx3 n THR 393 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 3jx3 n THR 393 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 3jx3 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jx3 s TYR 394 N -2.25 -0.46 -0.13 1.09 -0.85 -1.26 -2.83 117.35 110.66 3jx3 s TYR 394 Ca 0.00 0.19 -0.07 0.00 -0.52 0.00 0.00 57.07 56.68 3jx3 s TYR 394 Cb 0.00 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.89 3jx3 s TYR 394 CO 0.00 -0.93 0.11 -0.65 -1.52 0.00 0.00 175.55 172.56 3jx3 s GLN 395 N -3.77 3.50 0.20 -3.49 -1.52 -1.26 -5.04 119.66 108.29 3jx3 s GLN 395 Ca 0.03 -0.20 -0.29 0.00 -1.95 0.00 0.00 55.36 52.96 3jx3 s GLN 395 Cb -0.02 -3.16 -0.08 0.00 -0.22 0.00 0.00 33.01 29.52 3jx3 s GLN 395 CO -0.08 0.67 0.90 -0.51 -0.25 0.00 0.00 175.29 176.02 3jx3 s LEU 396 N -0.74 4.61 0.65 2.90 1.43 -1.26 -5.05 118.68 121.22 3jx3 s LEU 396 Ca 0.13 1.84 -0.17 0.00 -1.03 0.00 0.00 54.13 54.90 3jx3 s LEU 396 Cb -0.12 -3.52 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 3jx3 s LEU 396 CO 0.03 0.14 1.20 -0.54 0.23 0.00 0.00 176.35 177.41 3jx3 s LYS 397 N -1.00 2.65 0.24 1.70 -0.14 -1.26 -4.83 119.74 117.10 3jx3 s LYS 397 Ca 0.40 1.76 -0.04 0.00 -1.36 0.00 0.00 55.97 56.73 3jx3 s LYS 397 Cb -0.25 -1.90 0.44 0.00 -1.68 0.00 0.00 37.83 34.45 3jx3 s LYS 397 CO 0.30 -1.44 1.73 -0.44 -0.76 0.00 0.00 175.35 174.74 3jx3 h ASP 398 N 0.36 0.29 -0.97 2.83 3.32 -1.99 -0.25 116.42 120.01 3jx3 h ASP 398 Ca -0.49 0.10 0.08 0.00 0.02 0.00 0.00 57.03 56.74 3jx3 h ASP 398 Cb 1.29 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.85 3jx3 h ASP 398 CO 0.53 0.12 0.62 0.71 -1.72 0.00 0.00 179.24 179.50 3jx3 h THR 399 N 0.45 1.04 0.01 0.35 1.35 -2.00 -1.90 112.91 112.20 3jx3 h THR 399 Ca 0.41 -0.37 -0.24 0.00 -0.55 0.00 0.00 66.41 65.66 3jx3 h THR 399 Cb 0.60 -0.13 0.01 0.00 -1.73 0.00 0.00 68.15 66.90 3jx3 h THR 399 CO -0.39 0.20 -0.99 -0.33 -0.25 0.00 0.00 175.52 173.76 3jx3 h GLU 400 N 1.08 0.50 0.17 4.72 5.08 -1.52 -2.52 114.58 122.08 3jx3 h GLU 400 Ca 0.43 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3jx3 h GLU 400 Cb 0.26 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3jx3 h GLU 400 CO -0.18 1.18 -0.08 1.25 -1.00 0.00 0.00 179.01 180.17 3jx3 h LEU 401 N 0.28 -0.20 0.01 1.33 5.85 -0.78 0.32 115.31 122.12 3jx3 h LEU 401 Ca -0.10 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.64 3jx3 h LEU 401 Cb 1.63 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 3jx3 h LEU 401 CO 0.18 -0.13 -0.11 0.40 -0.34 0.00 0.00 178.44 178.43 3jx3 h ILE 402 N -0.24 0.71 -0.42 4.05 2.04 -1.39 0.13 117.51 122.40 3jx3 h ILE 402 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3jx3 h ILE 402 Cb 0.19 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3jx3 h ILE 402 CO 0.04 0.00 0.22 0.22 0.00 0.00 0.00 178.15 178.63 3jx3 h TYR 403 N -0.20 0.40 -0.18 1.37 3.20 -1.41 -1.19 116.97 118.96 3jx3 h TYR 403 Ca 0.04 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.95 3jx3 h TYR 403 Cb 0.25 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3jx3 h TYR 403 CO -0.17 0.21 0.05 0.78 -1.64 0.00 0.00 178.16 177.38 3jx3 h GLY 404 N 0.44 0.20 1.13 1.82 0.00 0.28 -0.66 103.07 106.28 3jx3 h GLY 404 Ca 0.18 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.34 3jx3 h GLY 404 CO -0.12 0.01 -0.29 0.00 0.00 0.00 0.00 176.54 176.14 3jx3 h ALA 405 N 1.12 0.64 -0.87 3.60 0.00 -0.41 -0.82 119.26 122.51 3jx3 h ALA 405 Ca 0.08 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.63 3jx3 h ALA 405 Cb 0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3jx3 h ALA 405 CO -0.09 0.68 0.57 0.87 0.00 0.00 0.00 179.25 181.27 3jx3 h LYS 406 N 0.82 0.96 0.03 0.00 1.57 -1.15 -2.67 116.57 116.13 3jx3 h LYS 406 Ca 0.09 -0.06 -0.23 0.00 -1.87 0.00 0.00 60.65 58.58 3jx3 h LYS 406 Cb 0.88 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3jx3 h LYS 406 CO 0.08 0.64 -1.00 0.45 -0.57 0.00 0.00 179.45 179.05 3jx3 h HIS 407 N 0.99 0.58 -0.59 -1.35 3.86 -0.49 -0.86 115.15 117.30 3jx3 h HIS 407 Ca 0.37 -0.33 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 3jx3 h HIS 407 Cb 0.19 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.55 3jx3 h HIS 407 CO -0.00 1.17 0.30 0.00 0.86 0.00 0.00 177.93 180.26 3jx3 h ALA 408 N 0.72 0.77 0.13 2.45 0.00 -0.98 0.25 119.26 122.60 3jx3 h ALA 408 Ca -0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3jx3 h ALA 408 Cb 1.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3jx3 h ALA 408 CO 0.17 -0.04 -0.06 2.35 0.00 0.00 0.00 179.25 181.67 3jx3 h TRP 409 N 0.57 -0.17 -1.04 0.00 7.01 -1.40 -2.07 115.95 118.86 3jx3 h TRP 409 Ca 0.26 -0.00 0.27 0.00 2.11 0.00 0.00 58.89 61.53 3jx3 h TRP 409 Cb 0.18 0.05 -0.10 0.00 -2.10 0.00 0.00 29.16 27.19 3jx3 h TRP 409 CO -0.10 0.02 0.66 -0.09 -2.79 0.00 0.00 178.44 176.14 3jx3 h ARG 410 N -0.32 0.41 -0.01 2.65 2.43 -0.57 -0.77 114.38 118.21 3jx3 h ARG 410 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3jx3 h ARG 410 Cb 0.26 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3jx3 h ARG 410 CO 0.03 0.27 -0.07 0.09 -1.51 0.00 0.00 179.97 178.79 3jx3 n ASN 411 N -4.68 1.00 -4.55 -3.80 3.02 0.82 -4.83 115.26 102.24 3jx3 n ASN 411 Ca 0.26 -1.15 -0.37 0.00 -0.03 0.00 0.00 54.58 53.29 3jx3 n ASN 411 Cb 0.86 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 40.01 3jx3 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jx3 s ALA 412 N -2.17 2.31 -0.12 5.41 0.00 -0.30 -4.70 121.76 122.19 3jx3 s ALA 412 Ca 0.35 -1.23 0.29 0.00 0.00 0.00 0.00 51.96 51.37 3jx3 s ALA 412 Cb 0.21 -4.37 1.31 0.00 0.00 0.00 0.00 23.12 20.27 3jx3 s ALA 412 CO 0.40 -3.86 1.86 0.66 0.00 0.00 0.00 175.76 174.82 3jx3 h SER 413 N 12.21 0.00 -0.12 0.00 4.64 -1.88 -2.05 113.55 126.35 3jx3 h SER 413 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3jx3 h SER 413 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3jx3 h SER 413 CO 1.26 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.76 3jx3 n ARG 414 N -2.57 1.72 -3.70 4.77 1.74 -1.26 -1.03 116.66 116.33 3jx3 n ARG 414 Ca 0.00 -1.07 -0.37 0.00 -0.77 0.00 0.00 57.85 55.64 3jx3 n ARG 414 Cb 0.19 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 3jx3 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx3 n VAL 416 N 4.96 0.22 0.50 0.00 3.14 -1.26 -3.86 118.33 122.03 3jx3 n VAL 416 Ca -0.15 -0.11 0.06 0.00 -2.96 0.00 0.00 64.34 61.18 3jx3 n VAL 416 Cb 0.51 -0.48 0.20 0.00 -1.06 0.00 0.00 33.84 33.00 3jx3 n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jx3 n GLY 417 N 1.43 1.27 0.07 7.55 0.00 -1.26 -4.50 105.19 109.75 3jx3 n GLY 417 Ca 0.06 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.72 3jx3 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx3 n ARG 418 N 0.65 0.12 -0.10 1.61 1.74 -1.25 -2.50 116.66 116.92 3jx3 n ARG 418 Ca 0.14 0.32 0.27 0.00 -0.77 0.00 0.00 57.85 57.81 3jx3 n ARG 418 Cb 0.45 -1.71 0.70 0.00 -1.02 0.00 0.00 32.46 30.88 3jx3 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jx3 h ILE 419 N 0.00 0.35 -0.01 0.55 2.10 -1.89 -0.98 117.51 117.63 3jx3 h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jx3 h ILE 419 Cb 0.36 0.47 0.00 0.00 -1.09 0.00 0.00 36.82 36.56 3jx3 h ILE 419 CO 0.00 0.00 -0.14 0.00 -1.08 0.00 0.00 178.15 176.93 3jx3 n GLN 420 N -3.84 0.84 -0.26 2.19 1.13 -1.04 -4.58 117.38 111.82 3jx3 n GLN 420 Ca 0.16 -0.38 0.26 0.00 -1.94 0.00 0.00 57.00 55.10 3jx3 n GLN 420 Cb 0.98 -1.49 0.61 0.00 0.11 0.00 0.00 30.24 30.45 3jx3 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jx3 h TRP 421 N 0.92 0.32 0.00 1.08 5.08 -1.40 0.18 115.95 122.13 3jx3 h TRP 421 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3jx3 h TRP 421 Cb 0.41 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 26.47 3jx3 h TRP 421 CO 0.00 0.05 0.00 -1.13 -1.28 0.00 0.00 178.44 176.08 3jx3 n SER 422 N -4.42 0.00 -1.25 0.11 3.41 -1.26 -3.72 113.62 106.50 3jx3 n SER 422 Ca 0.22 0.49 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 3jx3 n SER 422 Cb 0.92 -0.50 0.29 0.00 -0.26 0.00 0.00 64.21 64.66 3jx3 n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3jx3 n LYS 423 N -1.50 2.80 -1.76 4.33 5.02 0.62 -4.99 118.16 122.68 3jx3 n LYS 423 Ca 0.07 -2.31 -0.42 0.00 -2.02 0.00 0.00 58.31 53.64 3jx3 n LYS 423 Cb 0.33 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 3jx3 n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3jx3 s LEU 424 N -1.26 4.34 -0.24 -0.35 2.96 -1.24 -4.76 118.68 118.12 3jx3 s LEU 424 Ca 0.42 2.96 -0.20 0.00 -0.22 0.00 0.00 54.13 57.09 3jx3 s LEU 424 Cb 0.24 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.28 3jx3 s LEU 424 CO 0.25 -0.93 0.59 -1.58 -1.32 0.00 0.00 176.35 173.36 3jx3 s GLN 425 N -0.33 4.12 -0.22 1.98 2.00 -0.59 -4.97 119.66 121.66 3jx3 s GLN 425 Ca 0.65 0.49 -0.08 0.00 -2.00 0.00 0.00 55.36 54.42 3jx3 s GLN 425 Cb -0.48 -3.63 -0.04 0.00 0.80 0.00 0.00 33.01 29.66 3jx3 s GLN 425 CO 0.46 -0.34 0.08 0.08 -0.50 0.00 0.00 175.29 175.07 3jx3 s VAL 426 N 2.27 4.66 -0.23 1.34 1.01 -1.26 -0.50 120.40 127.69 3jx3 s VAL 426 Ca 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 3jx3 s VAL 426 Cb -0.16 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3jx3 s VAL 426 CO 0.09 0.39 0.02 -0.36 0.00 0.00 0.00 175.10 175.24 3jx3 s PHE 427 N 0.99 3.03 -0.40 5.22 0.08 -0.07 -4.97 117.98 121.87 3jx3 s PHE 427 Ca 0.04 -0.60 -0.21 0.00 0.12 0.00 0.00 56.93 56.28 3jx3 s PHE 427 Cb -0.14 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.17 3jx3 s PHE 427 CO 0.03 -0.39 0.69 0.34 -0.10 0.00 0.00 175.22 175.78 3jx3 s ASP 428 N 1.42 6.41 -0.27 1.36 3.68 -1.26 -1.14 116.67 126.87 3jx3 s ASP 428 Ca 0.05 -0.03 0.09 0.00 2.13 0.00 0.00 52.55 54.80 3jx3 s ASP 428 Cb -0.15 -2.34 0.46 0.00 -1.45 0.00 0.00 42.92 39.44 3jx3 s ASP 428 CO 0.01 -0.73 1.35 0.00 0.13 0.00 0.00 175.17 175.92 3jx3 n ALA 429 N 6.29 4.17 0.66 3.66 0.00 0.96 -4.70 120.51 131.55 3jx3 n ALA 429 Ca -0.00 -3.29 0.08 0.00 0.00 0.00 0.00 53.44 50.23 3jx3 n ALA 429 Cb 0.48 -0.55 0.38 0.00 0.00 0.00 0.00 19.45 19.76 3jx3 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jx3 n ARG 430 N -1.08 0.09 -0.08 0.00 1.74 -1.06 -1.98 116.66 114.29 3jx3 n ARG 430 Ca 0.29 0.18 0.10 0.00 -0.77 0.00 0.00 57.85 57.65 3jx3 n ARG 430 Cb 0.88 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 31.19 3jx3 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jx3 n ASP 431 N -1.42 1.56 -4.77 0.55 5.68 -1.26 -4.54 116.55 112.35 3jx3 n ASP 431 Ca 0.06 -1.70 -0.38 0.00 -0.50 0.00 0.00 54.79 52.26 3jx3 n ASP 431 Cb 0.17 -0.10 -0.05 0.00 -1.14 0.00 0.00 41.12 40.00 3jx3 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jx3 n THR 433 N 0.77 0.00 -4.25 0.00 -2.24 -1.26 -4.76 114.28 102.54 3jx3 n THR 433 Ca 0.01 -0.11 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 3jx3 n THR 433 Cb 0.48 0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 69.16 3jx3 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jx3 s THR 434 N -1.15 0.38 0.12 4.28 -4.23 -1.26 -4.67 115.64 109.12 3jx3 s THR 434 Ca 0.00 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 3jx3 s THR 434 Cb 0.00 -2.40 -0.05 0.00 1.34 0.00 0.00 72.50 71.39 3jx3 s THR 434 CO 0.00 -0.18 1.47 0.00 -0.54 0.00 0.00 174.62 175.37 3jx3 h ALA 435 N 2.58 0.52 -0.47 3.99 0.00 -1.90 -0.12 119.26 123.86 3jx3 h ALA 435 Ca -0.37 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.22 3jx3 h ALA 435 Cb 1.23 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 3jx3 h ALA 435 CO 0.59 0.54 0.05 0.45 0.00 0.00 0.00 179.25 180.89 3jx3 h HIS 436 N 0.62 0.07 -0.88 0.00 -0.00 -1.97 0.31 115.15 113.30 3jx3 h HIS 436 Ca 0.06 0.03 0.10 0.00 -0.00 0.00 0.00 60.37 60.57 3jx3 h HIS 436 Cb 0.87 0.04 -0.08 0.00 -0.00 0.00 0.00 27.41 28.24 3jx3 h HIS 436 CO 0.06 -0.05 0.52 0.78 -0.00 0.00 0.00 177.93 179.25 3jx3 h GLY 437 N 0.17 1.39 0.94 2.45 0.00 -1.81 -1.82 103.07 104.39 3jx3 h GLY 437 Ca 0.24 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 3jx3 h GLY 437 CO -0.35 0.15 0.02 -0.33 0.00 0.00 0.00 176.54 176.02 3jx3 h MET 438 N 0.87 0.69 -0.67 4.80 0.00 0.25 -1.98 114.93 118.88 3jx3 h MET 438 Ca 0.43 -0.21 0.07 0.00 0.00 0.00 0.00 59.70 59.99 3jx3 h MET 438 Cb 0.39 -0.07 -0.06 0.00 0.00 0.00 0.00 31.60 31.86 3jx3 h MET 438 CO -0.25 0.77 0.35 0.35 0.00 0.00 0.00 176.91 178.13 3jx3 h PHE 439 N 0.53 0.63 -0.30 -0.22 3.04 0.04 -1.03 116.94 119.61 3jx3 h PHE 439 Ca 0.11 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 3jx3 h PHE 439 Cb 0.45 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 3jx3 h PHE 439 CO 0.03 0.26 0.11 -0.97 -2.02 0.00 0.00 178.31 175.73 3jx3 h ASN 440 N 0.62 0.43 -0.89 0.41 -1.24 -1.02 -1.13 115.58 112.76 3jx3 h ASN 440 Ca 0.32 -0.18 0.08 0.00 0.71 0.00 0.00 56.30 57.23 3jx3 h ASN 440 Cb 0.27 -0.11 -0.06 0.00 0.73 0.00 0.00 38.32 39.15 3jx3 h ASN 440 CO -0.22 0.50 0.58 1.88 -1.29 0.00 0.00 177.43 178.87 3jx3 h TYR 441 N 0.34 0.99 -0.24 0.67 -1.99 -0.99 -2.07 116.97 113.68 3jx3 h TYR 441 Ca 0.10 0.03 -0.20 0.00 2.00 0.00 0.00 58.73 60.66 3jx3 h TYR 441 Cb 0.21 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 38.62 3jx3 h TYR 441 CO -0.00 0.48 -0.62 0.82 -0.00 0.00 0.00 178.16 178.84 3jx3 h ILE 442 N 0.94 1.28 -0.36 -2.88 2.04 -0.78 -1.41 117.51 116.34 3jx3 h ILE 442 Ca 0.40 -1.81 0.01 0.00 1.00 0.00 0.00 64.86 64.47 3jx3 h ILE 442 Cb 0.32 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3jx3 h ILE 442 CO -0.16 0.58 0.21 0.00 0.00 0.00 0.00 178.15 178.79 3jx3 h ASN 444 N 0.44 0.71 0.00 0.00 2.35 -1.21 -0.89 115.58 116.98 3jx3 h ASN 444 Ca 0.14 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3jx3 h ASN 444 Cb -0.01 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.18 3jx3 h ASN 444 CO -0.06 0.67 -0.00 -0.74 -1.65 0.00 0.00 177.43 175.65 3jx3 h HIS 445 N 0.76 -0.00 -0.78 1.19 -0.00 -0.61 -0.66 115.15 115.04 3jx3 h HIS 445 Ca 0.18 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.65 3jx3 h HIS 445 Cb 0.21 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 27.55 3jx3 h HIS 445 CO 0.01 0.22 0.42 0.28 -0.00 0.00 0.00 177.93 178.86 3jx3 h VAL 446 N -0.22 0.87 -0.07 5.26 2.07 -0.23 0.24 116.25 124.18 3jx3 h VAL 446 Ca -0.00 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 3jx3 h VAL 446 Cb 0.22 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3jx3 h VAL 446 CO 0.00 0.13 -0.42 0.50 0.02 0.00 0.00 177.57 177.80 3jx3 h LYS 447 N 0.70 0.40 -0.13 1.57 3.64 -1.07 -0.87 116.57 120.82 3jx3 h LYS 447 Ca 0.38 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3jx3 h LYS 447 Cb 0.39 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3jx3 h LYS 447 CO -0.27 0.99 0.05 -0.92 -2.27 0.00 0.00 179.45 177.04 3jx3 h TYR 448 N -0.07 0.19 -0.73 1.91 3.20 -0.71 -1.26 116.97 119.51 3jx3 h TYR 448 Ca -0.03 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 3jx3 h TYR 448 Cb 1.08 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 3jx3 h TYR 448 CO 0.13 0.28 0.35 0.00 -1.64 0.00 0.00 178.16 177.28 3jx3 h ALA 449 N 0.90 0.94 0.22 1.82 0.00 -0.49 -3.15 119.26 119.49 3jx3 h ALA 449 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3jx3 h ALA 449 Cb 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3jx3 h ALA 449 CO -0.00 0.50 -0.11 1.15 0.00 0.00 0.00 179.25 180.79 3jx3 h THR 450 N 1.02 0.85 -6.24 0.00 2.02 -1.03 0.18 112.91 109.71 3jx3 h THR 450 Ca 0.25 -0.51 -0.46 0.00 0.77 0.00 0.00 66.41 66.46 3jx3 h THR 450 Cb 0.11 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3jx3 h THR 450 CO -0.03 0.11 -0.77 -3.20 0.37 0.00 0.00 175.52 172.00 3jx3 n ASN 451 N -5.11 -4.10 -2.13 4.18 5.15 -0.49 -0.72 115.26 112.04 3jx3 n ASN 451 Ca -0.09 -0.78 -0.14 0.00 -0.60 0.00 0.00 54.58 52.97 3jx3 n ASN 451 Cb 0.22 -3.98 -0.02 0.00 -0.53 0.00 0.00 39.78 35.47 3jx3 n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3jx3 n LYS 452 N -4.62 -1.89 0.00 1.20 5.02 -1.26 -2.10 118.16 114.51 3jx3 n LYS 452 Ca -0.03 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 3jx3 n LYS 452 Cb 0.56 -5.23 0.00 0.00 -0.02 0.00 0.00 35.03 30.34 3jx3 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jx3 n GLY 453 N -0.67 2.34 3.18 0.72 0.00 0.10 -4.92 105.19 105.94 3jx3 n GLY 453 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 3jx3 n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jx3 n ASN 454 N 0.00 5.28 -4.77 1.61 4.05 -0.89 -0.81 115.26 119.72 3jx3 n ASN 454 Ca 0.00 -3.07 -0.40 0.00 0.45 0.00 0.00 54.58 51.56 3jx3 n ASN 454 Cb 0.00 -1.50 0.01 0.00 1.23 0.00 0.00 39.78 39.52 3jx3 n ASN 454 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3jx3 s LEU 455 N 0.36 4.18 -0.03 1.20 1.02 -1.24 -4.58 118.68 119.59 3jx3 s LEU 455 Ca 0.40 2.97 0.04 0.00 0.02 0.00 0.00 54.13 57.55 3jx3 s LEU 455 Cb 0.02 -3.84 -0.00 0.00 0.02 0.00 0.00 46.19 42.38 3jx3 s LEU 455 CO 0.00 -1.08 -0.15 -0.13 0.02 0.00 0.00 176.35 175.02 3jx3 s ARG 456 N -2.33 1.45 0.29 1.70 0.52 0.62 -4.99 118.95 116.21 3jx3 s ARG 456 Ca 0.58 -0.52 -0.29 0.00 -0.52 0.00 0.00 55.73 54.98 3jx3 s ARG 456 Cb -0.45 -1.31 -0.10 0.00 0.52 0.00 0.00 34.95 33.62 3jx3 s ARG 456 CO 0.59 0.24 1.13 -1.54 0.02 0.00 0.00 175.30 175.73 3jx3 s SER 457 N -0.03 7.16 0.11 0.23 1.04 -1.26 -4.44 113.70 116.51 3jx3 s SER 457 Ca -0.01 2.33 -0.16 0.00 0.48 0.00 0.00 55.95 58.60 3jx3 s SER 457 Cb -0.09 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.43 3jx3 s SER 457 CO 0.01 -0.22 0.38 0.00 0.98 0.00 0.00 173.24 174.38 3jx3 s ALA 458 N -1.18 -0.86 -0.01 5.32 0.00 -0.93 -1.54 121.76 122.56 3jx3 s ALA 458 Ca 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 3jx3 s ALA 458 Cb -0.33 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.40 3jx3 s ALA 458 CO 0.43 -0.60 0.03 -1.50 0.00 0.00 0.00 175.76 174.13 3jx3 s ILE 459 N -3.58 0.01 -0.15 0.00 2.07 0.34 -1.20 121.20 118.69 3jx3 s ILE 459 Ca 0.02 -0.05 -0.00 0.00 -1.41 0.00 0.00 60.65 59.21 3jx3 s ILE 459 Cb 0.02 -0.07 -0.01 0.00 0.13 0.00 0.00 42.46 42.53 3jx3 s ILE 459 CO -0.10 -0.03 -0.14 -0.89 -1.91 0.00 0.00 174.94 171.87 3jx3 s THR 460 N -0.06 2.85 -0.28 4.00 2.01 -0.15 -0.89 115.64 123.12 3jx3 s THR 460 Ca -0.01 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 3jx3 s THR 460 Cb -0.01 -2.21 0.04 0.00 0.01 0.00 0.00 72.50 70.33 3jx3 s THR 460 CO 0.00 0.51 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.79 3jx3 s ILE 461 N 0.66 3.03 0.76 1.82 1.01 -0.29 -2.93 121.20 125.26 3jx3 s ILE 461 Ca -0.07 -1.16 -0.08 0.00 0.00 0.00 0.00 60.65 59.34 3jx3 s ILE 461 Cb -0.16 -2.63 0.09 0.00 0.01 0.00 0.00 42.46 39.77 3jx3 s ILE 461 CO 0.02 0.05 1.08 -0.36 0.00 0.00 0.00 174.94 175.74 3jx3 s PHE 462 N 1.31 2.68 0.41 3.97 0.08 -0.85 -0.03 117.98 125.55 3jx3 s PHE 462 Ca -0.02 0.44 -0.25 0.00 0.12 0.00 0.00 56.93 57.22 3jx3 s PHE 462 Cb -0.18 -3.36 -0.10 0.00 -0.57 0.00 0.00 43.02 38.81 3jx3 s PHE 462 CO -0.02 -1.65 1.17 -2.30 -0.10 0.00 0.00 175.22 172.32 3jx3 n PRO 463 N -3.10 1.72 -1.08 0.24 -0.02 -1.25 -4.70 135.00 126.80 3jx3 n PRO 463 Ca 0.09 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.88 3jx3 n PRO 463 Cb 0.60 -2.24 0.12 0.00 -0.02 0.00 0.00 33.50 31.97 3jx3 n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3jx3 s GLN 464 N -2.09 1.72 0.38 -0.52 -2.07 -1.26 -4.52 119.66 111.30 3jx3 s GLN 464 Ca 0.61 1.22 -0.26 0.00 -1.82 0.00 0.00 55.36 55.12 3jx3 s GLN 464 Cb -0.54 -1.83 -0.11 0.00 -1.09 0.00 0.00 33.01 29.44 3jx3 s GLN 464 CO 0.58 -2.04 1.12 -2.13 -1.32 0.00 0.00 175.29 171.50 3jx3 n ARG 465 N -3.80 1.63 0.00 9.60 0.63 0.21 -4.88 116.66 120.05 3jx3 n ARG 465 Ca 0.09 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 3jx3 n ARG 465 Cb 0.53 -2.14 0.00 0.00 0.45 0.00 0.00 32.46 31.30 3jx3 n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jx3 n THR 466 N -0.14 0.00 1.18 5.15 -2.24 -1.26 -4.78 114.28 112.18 3jx3 n THR 466 Ca 0.08 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 3jx3 n THR 466 Cb 0.37 -0.31 0.37 0.00 -2.10 0.00 0.00 70.33 68.67 3jx3 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jx3 n ASP 467 N -0.42 2.02 0.00 3.42 3.85 -1.26 -4.20 116.55 119.96 3jx3 n ASP 467 Ca 0.00 -1.71 0.00 0.00 -0.71 0.00 0.00 54.79 52.37 3jx3 n ASP 467 Cb 0.00 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 39.70 3jx3 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jx3 n GLY 468 N 1.22 0.62 0.27 6.12 0.00 -1.26 -3.95 105.19 108.22 3jx3 n GLY 468 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 3jx3 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jx3 n LYS 469 N -2.10 1.89 -1.16 1.61 5.02 -1.26 -4.58 118.16 117.58 3jx3 n LYS 469 Ca 0.00 -0.63 0.02 0.00 -2.02 0.00 0.00 58.31 55.68 3jx3 n LYS 469 Cb 0.04 -1.21 0.12 0.00 -0.02 0.00 0.00 35.03 33.96 3jx3 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jx3 n HIS 470 N -0.35 0.34 -1.95 2.13 8.25 -1.26 -4.33 115.22 118.04 3jx3 n HIS 470 Ca 0.05 -1.28 -0.41 0.00 -0.26 0.00 0.00 57.72 55.82 3jx3 n HIS 470 Cb 0.29 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 3jx3 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jx3 s ASP 471 N -2.90 6.57 0.05 0.41 -0.00 -1.26 -2.59 116.67 116.94 3jx3 s ASP 471 Ca 0.37 2.82 -0.28 0.00 -0.00 0.00 0.00 52.55 55.46 3jx3 s ASP 471 Cb 0.38 -2.65 -0.05 0.00 -0.00 0.00 0.00 42.92 40.60 3jx3 s ASP 471 CO -0.09 -0.73 0.87 -0.36 -0.00 0.00 0.00 175.17 174.87 3jx3 s PHE 472 N -0.66 3.73 -0.01 4.23 0.40 -1.26 -1.26 117.98 123.15 3jx3 s PHE 472 Ca 0.55 1.62 -0.01 0.00 -0.60 0.00 0.00 56.93 58.48 3jx3 s PHE 472 Cb -0.43 -2.97 0.00 0.00 0.51 0.00 0.00 43.02 40.14 3jx3 s PHE 472 CO 0.52 0.17 0.03 1.03 0.70 0.00 0.00 175.22 177.68 3jx3 s ARG 473 N 0.27 0.04 -0.21 0.44 1.81 -0.43 -3.22 118.95 117.64 3jx3 s ARG 473 Ca 0.44 0.06 -0.19 0.00 -1.72 0.00 0.00 55.73 54.32 3jx3 s ARG 473 Cb -0.21 0.00 -0.03 0.00 -0.45 0.00 0.00 34.95 34.26 3jx3 s ARG 473 CO 0.26 -0.01 0.55 0.08 -0.68 0.00 0.00 175.30 175.50 3jx3 s VAL 474 N 0.08 5.07 -0.15 3.52 1.01 -1.26 -1.05 120.40 127.61 3jx3 s VAL 474 Ca -0.00 1.01 0.20 0.00 0.00 0.00 0.00 61.98 63.19 3jx3 s VAL 474 Cb -0.01 -3.87 0.20 0.00 0.00 0.00 0.00 36.38 32.70 3jx3 s VAL 474 CO -0.00 0.14 1.61 -0.50 0.00 0.00 0.00 175.10 176.35 3jx3 h TRP 475 N 7.57 0.00 -3.95 5.22 4.06 -1.49 -3.43 115.95 123.93 3jx3 h TRP 475 Ca -0.32 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.13 3jx3 h TRP 475 Cb 1.15 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 29.35 3jx3 h TRP 475 CO 0.71 0.27 0.46 -0.80 -3.56 0.00 0.00 178.44 175.53 3jx3 s ASN 476 N -6.29 6.60 0.16 -3.49 -0.87 -1.26 -4.91 114.94 104.88 3jx3 s ASN 476 Ca 0.04 2.21 0.09 0.00 -1.57 0.00 0.00 52.86 53.63 3jx3 s ASN 476 Cb 0.08 -2.60 -0.12 0.00 -0.02 0.00 0.00 41.25 38.59 3jx3 s ASN 476 CO 0.69 -0.61 1.33 0.77 -2.57 0.00 0.00 177.10 176.71 3jx3 h SER 477 N 2.54 0.00 -4.41 -1.22 4.64 -1.90 -3.35 113.55 109.85 3jx3 h SER 477 Ca -0.49 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.49 3jx3 h SER 477 Cb 1.23 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.13 3jx3 h SER 477 CO 0.62 0.88 -0.74 -1.10 -0.87 0.00 0.00 176.83 175.62 3jx3 s GLN 478 N -2.81 0.82 0.22 4.77 -0.21 -1.26 -1.19 119.66 120.00 3jx3 s GLN 478 Ca 0.01 -1.08 -0.08 0.00 0.02 0.00 0.00 55.36 54.23 3jx3 s GLN 478 Cb 0.10 -0.60 0.17 0.00 1.00 0.00 0.00 33.01 33.68 3jx3 s GLN 478 CO 0.80 0.11 1.81 -0.07 -2.12 0.00 0.00 175.29 175.82 3jx3 h LEU 479 N 3.80 1.06 -8.24 2.90 3.38 -1.28 -3.38 115.31 113.54 3jx3 h LEU 479 Ca -0.38 -0.13 -0.67 0.00 0.09 0.00 0.00 57.88 56.79 3jx3 h LEU 479 Cb 1.19 -0.27 -0.32 0.00 0.09 0.00 0.00 40.66 41.35 3jx3 h LEU 479 CO 0.49 0.90 -0.82 -0.63 0.09 0.00 0.00 178.44 178.47 3jx3 s ILE 480 N -5.72 2.51 0.11 1.22 1.01 -1.26 -4.86 121.20 114.21 3jx3 s ILE 480 Ca -0.13 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.55 3jx3 s ILE 480 Cb 0.16 -2.07 0.04 0.00 0.01 0.00 0.00 42.46 40.59 3jx3 s ILE 480 CO 0.83 0.51 0.42 -0.13 0.00 0.00 0.00 174.94 176.56 3jx3 s ARG 481 N 1.13 1.06 0.07 2.79 0.52 -1.26 -4.83 118.95 118.42 3jx3 s ARG 481 Ca 0.01 -0.63 -0.07 0.00 -0.52 0.00 0.00 55.73 54.51 3jx3 s ARG 481 Cb -0.14 0.47 -0.05 0.00 0.52 0.00 0.00 34.95 35.74 3jx3 s ARG 481 CO -0.06 -0.41 0.35 0.71 0.02 0.00 0.00 175.30 175.91 3jx3 s TYR 482 N -3.57 3.55 0.61 -0.53 1.51 -1.26 -1.18 117.35 116.48 3jx3 s TYR 482 Ca 0.01 0.65 -0.17 0.00 -1.01 0.00 0.00 57.07 56.55 3jx3 s TYR 482 Cb 0.01 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 3jx3 s TYR 482 CO -0.10 0.53 1.15 0.00 -1.11 0.00 0.00 175.55 176.02 3jx3 s ALA 483 N -1.44 2.52 -0.05 3.71 0.00 0.16 -4.45 121.76 122.21 3jx3 s ALA 483 Ca 0.33 0.79 0.04 0.00 0.00 0.00 0.00 51.96 53.13 3jx3 s ALA 483 Cb -0.13 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 3jx3 s ALA 483 CO 0.19 -1.14 -0.18 0.20 0.00 0.00 0.00 175.76 174.83 3jx3 s GLY 484 N -2.00 0.98 -0.10 0.00 0.00 -1.25 -1.54 107.32 103.42 3jx3 s GLY 484 Ca 0.72 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.73 3jx3 s GLY 484 CO 0.35 -0.32 -0.09 -0.19 0.00 0.00 0.00 173.10 172.84 3jx3 s TYR 485 N 0.12 1.50 -0.14 1.90 1.51 0.52 -4.14 117.35 118.62 3jx3 s TYR 485 Ca -0.07 -0.70 -0.20 0.00 -1.01 0.00 0.00 57.07 55.09 3jx3 s TYR 485 Cb -0.13 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 3jx3 s TYR 485 CO 0.03 -0.45 0.58 0.21 -1.11 0.00 0.00 175.55 174.81 3jx3 s LYS 486 N 1.39 4.31 0.30 -0.62 2.47 -1.26 -0.51 119.74 125.81 3jx3 s LYS 486 Ca -0.01 0.60 -0.02 0.00 -1.56 0.00 0.00 55.97 54.98 3jx3 s LYS 486 Cb -0.13 -3.49 -0.04 0.00 -1.46 0.00 0.00 37.83 32.70 3jx3 s LYS 486 CO -0.05 -0.01 0.52 -0.65 0.16 0.00 0.00 175.35 175.32 3jx3 s GLN 487 N 1.15 3.56 0.58 4.03 -1.52 0.12 -4.97 119.66 122.60 3jx3 s GLN 487 Ca 0.29 -0.18 0.28 0.00 -1.95 0.00 0.00 55.36 53.80 3jx3 s GLN 487 Cb -0.16 -2.68 1.58 0.00 -0.22 0.00 0.00 33.01 31.52 3jx3 s GLN 487 CO 0.12 0.22 2.05 -1.00 -0.25 0.00 0.00 175.29 176.43 3jx3 h PRO 488 N 1.38 0.00 -0.03 2.91 0.13 -1.97 0.07 132.00 134.50 3jx3 h PRO 488 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3jx3 h PRO 488 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3jx3 h PRO 488 CO 0.65 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 3jx3 n ASP 489 N -3.88 0.70 0.00 1.44 3.85 -1.26 -4.92 116.55 112.47 3jx3 n ASP 489 Ca 0.04 -1.34 0.00 0.00 -0.71 0.00 0.00 54.79 52.77 3jx3 n ASP 489 Cb 0.41 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.16 3jx3 n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jx3 n GLY 490 N 1.03 1.47 3.77 6.12 0.00 0.01 -5.04 105.19 112.55 3jx3 n GLY 490 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3jx3 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx3 s SER 491 N -2.49 4.53 -0.05 1.61 1.04 -1.26 -4.79 113.70 112.29 3jx3 s SER 491 Ca 0.00 1.79 0.04 0.00 0.48 0.00 0.00 55.95 58.26 3jx3 s SER 491 Cb 0.00 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.60 3jx3 s SER 491 CO 0.00 -2.02 -0.17 -0.89 0.98 0.00 0.00 173.24 171.14 3jx3 s THR 492 N -2.92 2.78 -0.19 2.02 2.01 -1.26 -0.70 115.64 117.38 3jx3 s THR 492 Ca 0.61 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 3jx3 s THR 492 Cb -0.17 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 3jx3 s THR 492 CO 0.56 0.58 0.03 -0.22 -0.69 0.00 0.00 174.62 174.89 3jx3 s LEU 493 N -0.57 3.58 0.00 4.42 2.96 0.33 -4.95 118.68 124.45 3jx3 s LEU 493 Ca 0.08 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 3jx3 s LEU 493 Cb -0.11 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.68 3jx3 s LEU 493 CO 0.01 0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.78 3jx3 n GLY 494 N 3.78 -0.19 3.53 7.98 0.00 -1.26 -0.35 105.19 118.67 3jx3 n GLY 494 Ca -0.17 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 3jx3 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx3 s ASP 495 N -4.00 6.38 0.58 1.61 -1.08 -0.59 -4.81 116.67 114.76 3jx3 s ASP 495 Ca 0.00 -0.23 0.27 0.00 -0.52 0.00 0.00 52.55 52.07 3jx3 s ASP 495 Cb 0.00 -2.38 1.70 0.00 -1.46 0.00 0.00 42.92 40.78 3jx3 s ASP 495 CO 0.00 -0.96 2.22 -0.65 0.52 0.00 0.00 175.17 176.30 3jx3 h PRO 496 N 9.04 0.00 -0.00 4.34 0.11 -1.82 -0.91 132.00 142.76 3jx3 h PRO 496 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3jx3 h PRO 496 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3jx3 h PRO 496 CO 0.98 0.00 0.03 0.00 -0.21 0.00 0.00 178.00 178.81 3jx3 h ALA 497 N 1.98 1.10 -0.15 -0.75 0.00 -1.92 -2.96 119.26 116.56 3jx3 h ALA 497 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3jx3 h ALA 497 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3jx3 h ALA 497 CO -0.00 -0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.30 3jx3 n ASN 498 N -3.15 2.86 0.02 0.00 3.02 -0.35 -4.74 115.26 112.93 3jx3 n ASN 498 Ca -0.03 -2.63 -0.10 0.00 -0.03 0.00 0.00 54.58 51.79 3jx3 n ASN 498 Cb 0.10 -0.34 -0.04 0.00 -0.61 0.00 0.00 39.78 38.90 3jx3 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jx3 h VAL 499 N 0.95 0.58 0.06 2.41 2.07 -1.62 0.79 116.25 121.49 3jx3 h VAL 499 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3jx3 h VAL 499 Cb 0.98 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3jx3 h VAL 499 CO 0.07 0.00 -0.06 -0.61 0.02 0.00 0.00 177.57 176.99 3jx3 h GLN 500 N -0.23 -0.13 -0.62 1.57 4.15 -1.85 0.23 115.11 118.23 3jx3 h GLN 500 Ca 0.08 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 3jx3 h GLN 500 Cb 0.34 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 3jx3 h GLN 500 CO -0.21 -0.09 0.31 0.35 -1.93 0.00 0.00 178.83 177.26 3jx3 h PHE 501 N -0.14 0.89 -0.45 3.99 3.57 -1.86 -2.33 116.94 120.62 3jx3 h PHE 501 Ca 0.01 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.55 3jx3 h PHE 501 Cb 0.13 -0.28 -0.07 0.00 2.79 0.00 0.00 35.95 38.53 3jx3 h PHE 501 CO -0.10 0.66 0.04 1.15 -2.23 0.00 0.00 178.31 177.83 3jx3 h THR 502 N 0.85 0.70 -0.49 4.41 2.02 -0.45 -0.97 112.91 118.99 3jx3 h THR 502 Ca 0.22 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 3jx3 h THR 502 Cb 0.10 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3jx3 h THR 502 CO -0.03 0.03 0.24 -0.33 0.37 0.00 0.00 175.52 175.80 3jx3 h GLU 503 N 0.16 0.68 -0.35 6.66 5.08 -0.53 -0.47 114.58 125.81 3jx3 h GLU 503 Ca 0.22 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3jx3 h GLU 503 Cb 0.31 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3jx3 h GLU 503 CO -0.34 0.52 0.01 0.82 -1.00 0.00 0.00 179.01 179.02 3jx3 h ILE 504 N 0.68 1.26 -0.98 3.13 2.04 -0.92 -0.47 117.51 122.26 3jx3 h ILE 504 Ca 0.17 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.12 3jx3 h ILE 504 Cb 0.06 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 3jx3 h ILE 504 CO -0.02 0.32 0.64 0.00 0.00 0.00 0.00 178.15 179.08 3jx3 h ILE 506 N 1.19 1.25 0.00 0.00 2.04 -0.91 -0.30 117.51 120.78 3jx3 h ILE 506 Ca 0.40 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 3jx3 h ILE 506 Cb 0.08 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3jx3 h ILE 506 CO -0.14 0.30 -0.14 -0.61 0.00 0.00 0.00 178.15 177.56 3jx3 h GLN 507 N 0.36 0.00 -0.00 2.37 4.15 -0.42 0.80 115.11 122.37 3jx3 h GLN 507 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3jx3 h GLN 507 Cb 0.42 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.11 3jx3 h GLN 507 CO 0.01 0.14 -0.01 1.04 -1.93 0.00 0.00 178.83 178.09 3jx3 n GLN 508 N -3.80 0.73 0.00 1.69 1.13 0.20 -4.90 117.38 112.43 3jx3 n GLN 508 Ca -0.02 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 3jx3 n GLN 508 Cb 0.24 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.09 3jx3 n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jx3 n GLY 509 N 1.15 0.86 3.71 1.08 0.00 0.27 -4.95 105.19 107.32 3jx3 n GLY 509 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3jx3 n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3jx3 n TRP 510 N -1.76 2.68 -3.06 1.61 -0.00 -0.16 -4.96 117.44 111.78 3jx3 n TRP 510 Ca 0.00 0.13 -0.43 0.00 -0.00 0.00 0.00 57.50 57.19 3jx3 n TRP 510 Cb 0.00 -2.63 -0.06 0.00 -0.00 0.00 0.00 31.31 28.62 3jx3 n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3jx3 s LYS 511 N 0.77 3.21 -0.15 5.87 -0.14 -1.26 -4.44 119.74 123.59 3jx3 s LYS 511 Ca 0.73 -0.61 -0.26 0.00 -1.36 0.00 0.00 55.97 54.48 3jx3 s LYS 511 Cb -0.54 -4.05 -0.02 0.00 -1.68 0.00 0.00 37.83 31.54 3jx3 s LYS 511 CO 0.37 -1.24 0.84 0.00 -0.76 0.00 0.00 175.35 174.55 3jx3 s ALA 512 N 3.02 3.49 0.52 5.17 0.00 -1.26 -4.92 121.76 127.78 3jx3 s ALA 512 Ca 0.21 0.08 0.17 0.00 0.00 0.00 0.00 51.96 52.41 3jx3 s ALA 512 Cb -0.16 -3.23 1.30 0.00 0.00 0.00 0.00 23.12 21.03 3jx3 s ALA 512 CO 0.15 -0.60 2.15 -1.35 0.00 0.00 0.00 175.76 176.12 3jx3 h PRO 513 N 7.26 0.00 -5.14 0.00 0.11 -1.99 -3.47 132.00 128.77 3jx3 h PRO 513 Ca -0.31 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.52 3jx3 h PRO 513 Cb 1.14 0.00 0.14 0.00 0.11 0.00 0.00 31.00 32.39 3jx3 h PRO 513 CO 0.83 0.00 -0.65 0.54 -0.21 0.00 0.00 178.00 178.50 3jx3 n ARG 514 N -4.50 -5.81 -2.22 1.05 1.74 -1.26 -5.06 116.66 100.59 3jx3 n ARG 514 Ca -0.02 0.73 -0.07 0.00 -0.77 0.00 0.00 57.85 57.71 3jx3 n ARG 514 Cb 0.11 -5.40 -0.00 0.00 -1.02 0.00 0.00 32.46 26.15 3jx3 n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jx3 n GLY 515 N -1.18 3.20 0.17 -0.13 0.00 -1.26 -5.07 105.19 100.93 3jx3 n GLY 515 Ca -0.22 -2.21 0.07 0.00 0.00 0.00 0.00 46.02 43.65 3jx3 n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jx3 h ARG 516 N 0.00 0.00 -1.46 1.61 2.43 -1.93 -3.39 114.38 111.64 3jx3 h ARG 516 Ca -0.09 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.62 3jx3 h ARG 516 Cb 0.33 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.47 3jx3 h ARG 516 CO 0.15 0.22 -1.04 1.19 -1.51 0.00 0.00 179.97 178.98 3jx3 n PHE 517 N -3.10 1.73 -2.87 2.20 3.01 -1.26 -4.24 117.46 112.93 3jx3 n PHE 517 Ca 0.02 -3.21 -0.42 0.00 1.01 0.00 0.00 57.45 54.85 3jx3 n PHE 517 Cb 0.64 -0.33 -0.04 0.00 -0.01 0.00 0.00 39.48 39.73 3jx3 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jx3 s ASP 518 N -3.10 6.72 0.01 4.37 1.01 -1.26 -4.94 116.67 119.49 3jx3 s ASP 518 Ca 0.37 0.74 -0.30 0.00 0.71 0.00 0.00 52.55 54.07 3jx3 s ASP 518 Cb 0.40 -2.44 -0.07 0.00 1.01 0.00 0.00 42.92 41.83 3jx3 s ASP 518 CO -0.05 -0.68 1.65 -0.69 0.21 0.00 0.00 175.17 175.60 3jx3 s VAL 519 N 3.13 3.32 0.64 -1.27 1.01 -1.26 -0.67 120.40 125.30 3jx3 s VAL 519 Ca 0.35 0.60 -0.17 0.00 0.00 0.00 0.00 61.98 62.77 3jx3 s VAL 519 Cb -0.14 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 3jx3 s VAL 519 CO 0.13 -0.03 1.21 -0.76 0.00 0.00 0.00 175.10 175.66 3jx3 s LEU 520 N 3.28 3.53 0.71 3.92 1.43 -0.33 -4.88 118.68 126.34 3jx3 s LEU 520 Ca 0.74 2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 56.11 3jx3 s LEU 520 Cb -0.37 -4.60 0.02 0.00 0.03 0.00 0.00 46.19 41.27 3jx3 s LEU 520 CO 0.31 -1.85 1.06 -2.16 0.23 0.00 0.00 176.35 173.95 3jx3 s PRO 521 N -3.56 2.83 0.20 1.29 0.04 -1.26 -4.76 135.00 129.77 3jx3 s PRO 521 Ca 0.76 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 3jx3 s PRO 521 Cb -0.30 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 3jx3 s PRO 521 CO 0.38 -1.18 0.86 -0.51 0.04 0.00 0.00 177.00 176.59 3jx3 s LEU 522 N -5.60 4.62 -0.28 -3.56 1.43 0.17 -4.86 118.68 110.60 3jx3 s LEU 522 Ca 0.58 1.80 0.01 0.00 -1.03 0.00 0.00 54.13 55.49 3jx3 s LEU 522 Cb -0.14 -3.46 0.06 0.00 0.03 0.00 0.00 46.19 42.67 3jx3 s LEU 522 CO 0.55 0.17 -0.07 -0.22 0.23 0.00 0.00 176.35 177.01 3jx3 s LEU 523 N -1.09 3.64 -0.09 1.79 2.96 -1.26 -0.96 118.68 123.67 3jx3 s LEU 523 Ca 0.39 -1.36 0.04 0.00 -0.22 0.00 0.00 54.13 52.97 3jx3 s LEU 523 Cb -0.24 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 3jx3 s LEU 523 CO 0.29 -0.22 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.12 3jx3 s LEU 524 N 1.15 2.03 -0.19 -0.68 1.43 0.38 -1.22 118.68 121.57 3jx3 s LEU 524 Ca -0.07 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3jx3 s LEU 524 Cb -0.20 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3jx3 s LEU 524 CO -0.04 0.16 -0.11 -1.58 0.23 0.00 0.00 176.35 175.01 3jx3 s GLN 525 N 0.29 3.23 -0.10 1.70 0.74 -0.22 -0.27 119.66 125.03 3jx3 s GLN 525 Ca -0.16 -0.71 0.02 0.00 0.05 0.00 0.00 55.36 54.57 3jx3 s GLN 525 Cb -0.17 -2.79 -0.01 0.00 1.10 0.00 0.00 33.01 31.14 3jx3 s GLN 525 CO 0.07 -0.15 -0.18 0.00 -0.55 0.00 0.00 175.29 174.48 3jx3 s ALA 526 N 1.27 2.44 -1.43 1.58 0.00 -1.26 -1.31 121.76 123.04 3jx3 s ALA 526 Ca 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 3jx3 s ALA 526 Cb -0.14 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 21.99 3jx3 s ALA 526 CO -0.06 0.33 0.48 -1.71 0.00 0.00 0.00 175.76 174.81 3jx3 n ASN 527 N 3.27 -5.66 0.00 0.00 4.05 -1.21 -1.32 115.26 114.39 3jx3 n ASN 527 Ca -0.18 -0.23 0.00 0.00 0.45 0.00 0.00 54.58 54.62 3jx3 n ASN 527 Cb 0.53 -4.51 0.00 0.00 1.23 0.00 0.00 39.78 37.02 3jx3 n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3jx3 n GLY 528 N -1.40 0.93 3.72 8.20 0.00 -0.39 -4.53 105.19 111.71 3jx3 n GLY 528 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 3jx3 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx3 s ASN 529 N -2.75 3.64 0.38 1.61 0.01 -0.44 -4.89 114.94 112.51 3jx3 s ASN 529 Ca 0.00 1.97 -0.26 0.00 -0.71 0.00 0.00 52.86 53.86 3jx3 s ASN 529 Cb 0.00 -2.52 -0.11 0.00 0.41 0.00 0.00 41.25 39.02 3jx3 s ASN 529 CO 0.00 -2.61 1.13 0.47 -1.51 0.00 0.00 177.10 174.58 3jx3 n ASP 530 N -3.90 1.88 -4.77 -1.22 8.00 -1.26 -4.32 116.55 110.95 3jx3 n ASP 530 Ca 0.10 1.12 -0.33 0.00 0.71 0.00 0.00 54.79 56.39 3jx3 n ASP 530 Cb 0.53 -1.40 0.05 0.00 -0.02 0.00 0.00 41.12 40.27 3jx3 n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3jx3 s PRO 531 N -1.94 2.78 0.16 -0.24 0.04 -1.26 -4.66 135.00 129.88 3jx3 s PRO 531 Ca 0.60 1.37 0.10 0.00 0.04 0.00 0.00 61.00 63.11 3jx3 s PRO 531 Cb -0.58 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 3jx3 s PRO 531 CO 0.59 -1.26 -0.23 -1.21 0.04 0.00 0.00 177.00 174.93 3jx3 s GLU 532 N -4.15 1.38 -0.01 4.56 2.02 0.63 -4.83 118.70 118.29 3jx3 s GLU 532 Ca 0.66 -1.41 -0.09 0.00 0.02 0.00 0.00 54.97 54.15 3jx3 s GLU 532 Cb -0.20 -1.65 -0.05 0.00 0.10 0.00 0.00 34.13 32.33 3jx3 s GLU 532 CO 0.42 0.36 0.29 -0.51 0.02 0.00 0.00 175.26 175.84 3jx3 s LEU 533 N -2.46 4.39 -0.10 1.80 1.43 -1.26 -0.47 118.68 122.01 3jx3 s LEU 533 Ca 0.16 0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 53.84 3jx3 s LEU 533 Cb -0.08 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.60 3jx3 s LEU 533 CO 0.08 0.29 0.25 -0.36 0.23 0.00 0.00 176.35 176.84 3jx3 s PHE 534 N -1.21 -0.29 -0.17 0.29 0.40 -0.14 -4.96 117.98 111.90 3jx3 s PHE 534 Ca 0.25 0.71 -0.17 0.00 -0.60 0.00 0.00 56.93 57.12 3jx3 s PHE 534 Cb -0.14 0.09 -0.04 0.00 0.51 0.00 0.00 43.02 43.44 3jx3 s PHE 534 CO 0.13 -0.16 0.46 -1.14 0.70 0.00 0.00 175.22 175.21 3jx3 s GLN 535 N 0.39 4.24 0.23 0.44 0.74 -1.26 0.44 119.66 124.88 3jx3 s GLN 535 Ca -0.02 0.35 -0.30 0.00 0.05 0.00 0.00 55.36 55.44 3jx3 s GLN 535 Cb -0.04 -3.50 -0.10 0.00 1.10 0.00 0.00 33.01 30.48 3jx3 s GLN 535 CO -0.02 0.01 1.42 0.42 -0.55 0.00 0.00 175.29 176.57 3jx3 s ILE 536 N 1.12 2.81 0.13 -2.34 1.01 -1.26 -4.91 121.20 117.75 3jx3 s ILE 536 Ca 0.23 0.66 -0.33 0.00 0.00 0.00 0.00 60.65 61.21 3jx3 s ILE 536 Cb -0.15 -3.42 -0.13 0.00 0.01 0.00 0.00 42.46 38.77 3jx3 s ILE 536 CO 0.09 0.10 1.66 -2.65 0.00 0.00 0.00 174.94 174.14 3jx3 n PRO 537 N 2.59 2.28 -0.11 2.79 -0.02 -1.26 -4.84 135.00 136.43 3jx3 n PRO 537 Ca 0.07 0.82 0.07 0.00 -2.02 0.00 0.00 63.50 62.45 3jx3 n PRO 537 Cb 0.41 -2.62 0.41 0.00 -0.02 0.00 0.00 33.50 31.67 3jx3 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jx3 h PRO 538 N 6.73 0.60 0.00 0.52 0.11 -1.95 1.00 132.00 139.02 3jx3 h PRO 538 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jx3 h PRO 538 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3jx3 h PRO 538 CO 0.91 0.40 0.00 1.05 -0.21 0.00 0.00 178.00 180.15 3jx3 h GLU 539 N 0.62 0.00 0.00 1.05 9.09 -2.03 -0.02 114.58 123.29 3jx3 h GLU 539 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.67 3jx3 h GLU 539 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 3jx3 h GLU 539 CO -0.07 0.00 -0.82 1.28 0.05 0.00 0.00 179.01 179.45 3jx3 n LEU 540 N -2.44 0.65 -4.35 3.06 4.32 0.34 -4.76 117.00 113.82 3jx3 n LEU 540 Ca -0.01 -0.09 -0.46 0.00 -0.02 0.00 0.00 56.01 55.44 3jx3 n LEU 540 Cb 0.10 -0.14 -0.04 0.00 -1.62 0.00 0.00 43.42 41.73 3jx3 n LEU 540 CO 0.15 0.11 0.38 -0.69 -1.22 0.00 0.00 177.39 176.11 3jx3 s VAL 541 N -3.09 5.13 -0.00 4.08 1.01 -0.02 -4.80 120.40 122.71 3jx3 s VAL 541 Ca 0.07 -1.57 -0.30 0.00 0.00 0.00 0.00 61.98 60.18 3jx3 s VAL 541 Cb 0.16 -4.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3jx3 s VAL 541 CO 0.77 -1.06 1.01 -0.22 0.00 0.00 0.00 175.10 175.61 3jx3 s LEU 542 N 1.72 4.36 0.14 3.92 2.96 -1.26 -5.01 118.68 125.52 3jx3 s LEU 542 Ca 0.12 1.69 0.08 0.00 -0.22 0.00 0.00 54.13 55.80 3jx3 s LEU 542 Cb -0.21 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 3jx3 s LEU 542 CO 0.00 -0.30 -0.17 -1.61 -1.32 0.00 0.00 176.35 172.95 3jx3 s GLU 543 N 1.11 1.18 -0.18 1.98 2.02 -1.26 -1.26 118.70 122.29 3jx3 s GLU 543 Ca 0.52 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 54.19 3jx3 s GLU 543 Cb -0.22 -1.21 0.04 0.00 0.10 0.00 0.00 34.13 32.84 3jx3 s GLU 543 CO 0.27 0.25 -0.08 0.08 0.02 0.00 0.00 175.26 175.80 3jx3 s VAL 544 N -1.94 1.35 0.21 2.63 1.01 0.34 -4.91 120.40 119.09 3jx3 s VAL 544 Ca 0.12 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 3jx3 s VAL 544 Cb -0.06 -1.46 -0.10 0.00 0.00 0.00 0.00 36.38 34.76 3jx3 s VAL 544 CO 0.05 0.17 1.44 -2.84 0.00 0.00 0.00 175.10 173.92 3jx3 s PRO 545 N 1.53 4.28 -0.19 2.72 0.02 -1.26 -1.10 135.00 141.00 3jx3 s PRO 545 Ca 0.00 2.25 -0.13 0.00 0.02 0.00 0.00 61.00 63.14 3jx3 s PRO 545 Cb -0.15 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 3jx3 s PRO 545 CO -0.08 -0.43 0.27 0.42 -0.33 0.00 0.00 177.00 176.85 3jx3 s ILE 546 N 0.32 5.30 0.23 2.83 -1.09 0.71 -4.85 121.20 124.66 3jx3 s ILE 546 Ca 0.61 0.46 0.02 0.00 -2.23 0.00 0.00 60.65 59.51 3jx3 s ILE 546 Cb -0.41 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 3jx3 s ILE 546 CO 0.39 0.35 0.05 0.00 -1.23 0.00 0.00 174.94 174.50 3jx3 s ARG 547 N 0.81 1.31 -0.05 2.79 3.03 -1.26 -4.17 118.95 121.42 3jx3 s ARG 547 Ca 0.14 -1.68 0.04 0.00 2.03 0.00 0.00 55.73 56.26 3jx3 s ARG 547 Cb -0.13 -0.35 -0.02 0.00 -1.03 0.00 0.00 34.95 33.41 3jx3 s ARG 547 CO 0.04 -0.20 -0.17 -1.58 -1.13 0.00 0.00 175.30 172.26 3jx3 s HIS 548 N -3.65 2.63 0.36 5.89 2.46 -1.26 -4.36 115.29 117.37 3jx3 s HIS 548 Ca 0.32 -0.23 0.04 0.00 0.47 0.00 0.00 55.06 55.66 3jx3 s HIS 548 Cb 0.07 -1.61 0.69 0.00 -0.13 0.00 0.00 32.58 31.60 3jx3 s HIS 548 CO 0.10 0.13 2.01 -1.00 -2.47 0.00 0.00 174.74 173.51 3jx3 h PRO 549 N 5.41 0.73 0.00 2.88 0.13 -1.92 -3.25 132.00 135.99 3jx3 h PRO 549 Ca -0.45 -0.05 -0.28 0.00 -0.87 0.00 0.00 66.00 64.35 3jx3 h PRO 549 Cb 1.15 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 32.06 3jx3 h PRO 549 CO 0.50 0.50 -2.05 1.63 -0.23 0.00 0.00 178.00 178.35 3jx3 n LYS 550 N -4.44 1.39 -3.20 0.86 5.02 -1.26 -4.90 118.16 111.64 3jx3 n LYS 550 Ca 0.05 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.91 3jx3 n LYS 550 Cb 0.06 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 33.61 3jx3 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jx3 s PHE 551 N -2.37 3.09 0.24 2.13 0.08 -1.23 -4.92 117.98 115.01 3jx3 s PHE 551 Ca -0.10 -0.43 0.18 0.00 0.12 0.00 0.00 56.93 56.71 3jx3 s PHE 551 Cb 0.05 -3.33 0.75 0.00 -0.57 0.00 0.00 43.02 39.91 3jx3 s PHE 551 CO 0.60 -0.91 1.78 0.22 -0.10 0.00 0.00 175.22 176.80 3jx3 h ASP 552 N 8.90 0.00 0.82 1.36 3.58 -1.91 -2.89 116.42 126.29 3jx3 h ASP 552 Ca -0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.18 3jx3 h ASP 552 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 3jx3 h ASP 552 CO 0.91 0.36 0.00 -2.67 -2.88 0.00 0.00 179.24 174.96 3jx3 n TRP 553 N -3.66 0.54 -0.26 0.28 4.27 -1.26 -3.73 117.44 113.62 3jx3 n TRP 553 Ca -0.01 0.20 -0.02 0.00 -3.89 0.00 0.00 57.50 53.78 3jx3 n TRP 553 Cb 0.47 -0.82 0.16 0.00 -1.36 0.00 0.00 31.31 29.76 3jx3 n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3jx3 h PHE 554 N 0.00 1.08 -0.73 -2.67 3.04 -1.88 -2.01 116.94 113.77 3jx3 h PHE 554 Ca 0.00 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.99 3jx3 h PHE 554 Cb 0.41 -0.35 -0.04 0.00 2.56 0.00 0.00 35.95 38.53 3jx3 h PHE 554 CO 0.00 0.74 0.48 1.57 -2.02 0.00 0.00 178.31 179.08 3jx3 h LYS 555 N 1.11 0.76 0.00 1.11 2.10 -1.72 -2.39 116.57 117.54 3jx3 h LYS 555 Ca 0.28 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 3jx3 h LYS 555 Cb 0.00 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.16 3jx3 h LYS 555 CO -0.05 0.51 0.00 -0.25 -2.00 0.00 0.00 179.45 177.66 3jx3 n ASP 556 N -4.48 0.00 0.30 7.07 8.00 -0.76 -1.35 116.55 125.34 3jx3 n ASP 556 Ca 0.10 0.21 0.18 0.00 0.71 0.00 0.00 54.79 55.99 3jx3 n ASP 556 Cb 0.21 -0.38 0.98 0.00 -0.02 0.00 0.00 41.12 41.90 3jx3 n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jx3 h LEU 557 N 0.00 0.00 0.29 0.64 3.38 -1.47 -3.47 115.31 114.69 3jx3 h LEU 557 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3jx3 h LEU 557 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3jx3 h LEU 557 CO 0.00 0.03 -0.06 0.61 0.09 0.00 0.00 178.44 179.11 3jx3 n GLY 558 N -0.99 0.32 3.82 0.83 0.00 -0.46 -5.02 105.19 103.70 3jx3 n GLY 558 Ca -0.02 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 3jx3 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx3 s LEU 559 N -0.63 4.37 0.20 0.99 1.43 -1.26 -5.00 118.68 118.77 3jx3 s LEU 559 Ca 0.00 1.30 -0.04 0.00 -1.03 0.00 0.00 54.13 54.35 3jx3 s LEU 559 Cb 0.00 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 3jx3 s LEU 559 CO 0.00 0.09 0.21 -1.59 0.23 0.00 0.00 176.35 175.28 3jx3 s LYS 560 N -1.85 1.23 0.11 1.70 -2.85 -1.26 -0.21 119.74 116.61 3jx3 s LYS 560 Ca 0.40 -1.49 -0.08 0.00 -1.00 0.00 0.00 55.97 53.80 3jx3 s LYS 560 Cb -0.17 0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 35.91 3jx3 s LYS 560 CO 0.20 -0.43 0.19 -0.46 0.10 0.00 0.00 175.35 174.96 3jx3 s TRP 561 N -4.10 0.26 0.37 1.78 -0.11 -0.26 -4.90 118.94 111.99 3jx3 s TRP 561 Ca 0.32 -0.68 -0.11 0.00 1.22 0.00 0.00 56.10 56.85 3jx3 s TRP 561 Cb 0.05 -0.10 -0.07 0.00 -1.50 0.00 0.00 33.47 31.86 3jx3 s TRP 561 CO 0.09 -0.57 0.74 1.52 -4.62 0.00 0.00 176.95 174.10 3jx3 s TYR 562 N -3.90 3.45 -0.35 5.86 -0.85 -1.26 -0.50 117.35 119.79 3jx3 s TYR 562 Ca 0.09 1.05 0.22 0.00 -0.52 0.00 0.00 57.07 57.91 3jx3 s TYR 562 Cb 0.05 -2.43 0.21 0.00 0.38 0.00 0.00 41.96 40.16 3jx3 s TYR 562 CO -0.08 -0.03 1.41 0.78 -1.52 0.00 0.00 175.55 176.11 3jx3 h GLY 563 N 1.56 0.00 -7.55 5.49 0.00 -1.53 -3.45 103.07 97.58 3jx3 h GLY 563 Ca -0.47 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.15 3jx3 h GLY 563 CO 0.64 0.00 -0.54 -2.27 0.00 0.00 0.00 176.54 174.37 3jx3 s LEU 564 N -5.95 4.83 -0.20 3.11 2.96 -1.26 -4.54 118.68 117.63 3jx3 s LEU 564 Ca 0.04 -1.49 -0.24 0.00 -0.22 0.00 0.00 54.13 52.22 3jx3 s LEU 564 Cb 0.07 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 3jx3 s LEU 564 CO 0.72 -0.46 0.81 -2.16 -1.32 0.00 0.00 176.35 173.93 3jx3 s PRO 565 N 1.35 4.24 -0.29 0.98 0.04 -1.26 -4.68 135.00 135.37 3jx3 s PRO 565 Ca 0.02 0.94 -0.04 0.00 0.04 0.00 0.00 61.00 61.96 3jx3 s PRO 565 Cb -0.22 -3.60 0.10 0.00 0.04 0.00 0.00 34.50 30.82 3jx3 s PRO 565 CO 0.01 -0.39 0.14 0.00 0.04 0.00 0.00 177.00 176.79 3jx3 s ALA 566 N 2.40 0.59 -0.05 8.56 0.00 -1.26 -2.89 121.76 129.11 3jx3 s ALA 566 Ca 0.36 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 3jx3 s ALA 566 Cb -0.16 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 3jx3 s ALA 566 CO 0.10 -1.66 1.27 0.08 0.00 0.00 0.00 175.76 175.55 3jx3 s VAL 567 N 2.10 4.10 0.00 0.00 1.01 0.20 -0.82 120.40 126.98 3jx3 s VAL 567 Ca 0.09 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.50 3jx3 s VAL 567 Cb -0.16 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3jx3 s VAL 567 CO -0.36 -0.01 0.50 -1.54 0.00 0.00 0.00 175.10 173.69 3jx3 n SER 568 N 5.39 0.98 -1.02 3.32 3.41 -0.33 -1.47 113.62 123.90 3jx3 n SER 568 Ca 0.12 -1.14 0.10 0.00 -0.26 0.00 0.00 58.87 57.68 3jx3 n SER 568 Cb 0.45 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.63 3jx3 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jx3 n ASN 569 N -0.07 3.37 -4.97 4.04 0.23 -1.21 -4.38 115.26 112.26 3jx3 n ASN 569 Ca 0.00 -1.96 -0.21 0.00 -0.53 0.00 0.00 54.58 51.88 3jx3 n ASN 569 Cb 0.09 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 3jx3 n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3jx3 s MET 570 N -1.13 3.13 -0.12 -3.83 -1.94 -1.26 -4.05 119.30 110.10 3jx3 s MET 570 Ca 0.36 -0.72 -0.00 0.00 -1.71 0.00 0.00 55.69 53.62 3jx3 s MET 570 Cb 0.20 -2.70 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 3jx3 s MET 570 CO 0.26 -0.06 -0.11 -1.17 -0.01 0.00 0.00 175.02 173.93 3jx3 s LEU 571 N -4.35 2.84 -0.33 -0.03 0.20 0.47 -4.33 118.68 113.16 3jx3 s LEU 571 Ca 0.46 -0.26 -0.12 0.00 0.69 0.00 0.00 54.13 54.90 3jx3 s LEU 571 Cb -0.10 -1.64 -0.02 0.00 -0.43 0.00 0.00 46.19 44.01 3jx3 s LEU 571 CO 0.34 0.20 0.22 -0.22 -0.29 0.00 0.00 176.35 176.61 3jx3 s LEU 572 N 0.13 4.41 -0.24 -0.68 2.96 -0.50 0.36 118.68 125.12 3jx3 s LEU 572 Ca -0.05 -0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 3jx3 s LEU 572 Cb -0.15 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 3jx3 s LEU 572 CO 0.04 -0.21 0.14 -0.70 -1.32 0.00 0.00 176.35 174.30 3jx3 s GLU 573 N 1.71 3.99 -0.08 1.98 2.12 0.21 -1.20 118.70 127.43 3jx3 s GLU 573 Ca 0.06 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.08 3jx3 s GLU 573 Cb -0.17 -3.49 0.02 0.00 0.26 0.00 0.00 34.13 30.76 3jx3 s GLU 573 CO 0.10 0.03 -0.05 0.42 -0.54 0.00 0.00 175.26 175.21 3jx3 s ILE 574 N 1.13 0.76 -1.47 -3.70 1.01 -0.59 -1.76 121.20 116.58 3jx3 s ILE 574 Ca 0.07 -0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 3jx3 s ILE 574 Cb -0.14 -0.80 0.08 0.00 0.01 0.00 0.00 42.46 41.61 3jx3 s ILE 574 CO 0.05 0.31 0.75 0.61 0.00 0.00 0.00 174.94 176.65 3jx3 n GLY 575 N 4.64 -0.49 3.04 6.18 0.00 -1.26 -0.23 105.19 117.06 3jx3 n GLY 575 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3jx3 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx3 n GLY 576 N -1.46 2.92 3.79 -0.02 0.00 -1.26 -3.37 105.19 105.80 3jx3 n GLY 576 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3jx3 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx3 s LEU 577 N 0.00 4.27 -0.23 0.99 1.43 0.68 -5.06 118.68 120.76 3jx3 s LEU 577 Ca 0.00 1.78 -0.02 0.00 -1.03 0.00 0.00 54.13 54.86 3jx3 s LEU 577 Cb 0.00 -4.08 0.02 0.00 0.03 0.00 0.00 46.19 42.16 3jx3 s LEU 577 CO 0.00 -0.11 -0.08 -1.61 0.23 0.00 0.00 176.35 174.78 3jx3 s GLU 578 N -2.25 2.97 -0.55 1.70 2.02 -1.26 -1.54 118.70 119.79 3jx3 s GLU 578 Ca 0.52 -0.88 -0.10 0.00 0.02 0.00 0.00 54.97 54.53 3jx3 s GLU 578 Cb -0.17 -2.93 0.14 0.00 0.10 0.00 0.00 34.13 31.27 3jx3 s GLU 578 CO 0.22 -0.33 0.43 -0.06 0.02 0.00 0.00 175.26 175.54 3jx3 s PHE 579 N 1.35 3.46 -1.18 1.61 0.40 -0.34 0.66 117.98 123.94 3jx3 s PHE 579 Ca 0.02 -1.95 0.24 0.00 -0.60 0.00 0.00 56.93 54.64 3jx3 s PHE 579 Cb -0.16 -3.54 1.12 0.00 0.51 0.00 0.00 43.02 40.95 3jx3 s PHE 579 CO -0.05 -0.98 1.79 -1.13 0.70 0.00 0.00 175.22 175.55 3jx3 n SER 580 N 4.62 0.00 -3.74 1.36 3.41 -1.26 -1.41 113.62 116.59 3jx3 n SER 580 Ca -0.03 0.27 -0.28 0.00 -0.26 0.00 0.00 58.87 58.56 3jx3 n SER 580 Cb 0.41 -0.41 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 3jx3 n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jx3 s ALA 581 N -2.82 1.14 -0.43 7.33 0.00 -1.20 -4.51 121.76 121.27 3jx3 s ALA 581 Ca 0.16 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.30 3jx3 s ALA 581 Cb 0.16 -1.27 0.34 0.00 0.00 0.00 0.00 23.12 22.34 3jx3 s ALA 581 CO 0.41 -1.27 1.01 0.00 0.00 0.00 0.00 175.76 175.91 3jx3 n PRO 583 N 0.28 2.10 -4.17 0.00 -0.04 -1.15 -4.63 135.00 127.39 3jx3 n PRO 583 Ca 0.12 0.74 -0.11 0.00 -0.04 0.00 0.00 63.50 64.20 3jx3 n PRO 583 Cb 0.70 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.74 3jx3 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jx3 s PHE 584 N -0.96 0.92 0.01 0.54 -0.12 -0.54 -0.98 117.98 116.85 3jx3 s PHE 584 Ca 0.57 -0.87 -0.16 0.00 -0.05 0.00 0.00 56.93 56.42 3jx3 s PHE 584 Cb -0.58 -0.52 0.03 0.00 -0.63 0.00 0.00 43.02 41.31 3jx3 s PHE 584 CO 0.61 -0.12 0.34 -1.54 -0.05 0.00 0.00 175.22 174.46 3jx3 s SER 585 N -2.96 -0.21 0.00 1.98 1.04 -0.34 -0.63 113.70 112.59 3jx3 s SER 585 Ca 0.11 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.56 3jx3 s SER 585 Cb 0.04 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3jx3 s SER 585 CO -0.04 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3jx3 n GLY 586 N 0.93 3.21 3.31 7.32 0.00 -1.14 -2.18 105.19 116.64 3jx3 n GLY 586 Ca -0.20 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 3jx3 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jx3 s TRP 587 N 2.47 0.27 0.35 1.61 -2.14 -1.26 -4.55 118.94 115.69 3jx3 s TRP 587 Ca 0.00 -0.65 -0.20 0.00 2.66 0.00 0.00 56.10 57.92 3jx3 s TRP 587 Cb 0.00 -0.02 -0.10 0.00 -3.10 0.00 0.00 33.47 30.25 3jx3 s TRP 587 CO 0.00 -0.68 0.85 0.71 -2.66 0.00 0.00 176.95 175.18 3jx3 s TYR 588 N -3.92 3.44 -0.02 1.66 1.51 -1.26 -4.93 117.35 113.83 3jx3 s TYR 588 Ca 0.12 1.49 -0.18 0.00 -1.01 0.00 0.00 57.07 57.49 3jx3 s TYR 588 Cb 0.03 -2.73 -0.05 0.00 -0.11 0.00 0.00 41.96 39.10 3jx3 s TYR 588 CO -0.04 0.07 0.51 1.41 -1.11 0.00 0.00 175.55 176.39 3jx3 s MET 589 N -2.77 4.21 0.28 -0.62 -2.45 -1.26 -1.45 119.30 115.24 3jx3 s MET 589 Ca 0.55 0.57 0.01 0.00 -1.25 0.00 0.00 55.69 55.57 3jx3 s MET 589 Cb -0.12 -3.32 0.66 0.00 1.25 0.00 0.00 34.83 33.30 3jx3 s MET 589 CO 0.17 0.43 1.68 0.78 1.05 0.00 0.00 175.02 179.13 3jx3 h GLY 590 N 5.55 1.37 2.00 2.11 0.00 -1.28 -1.57 103.07 111.26 3jx3 h GLY 590 Ca -0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 3jx3 h GLY 590 CO 0.68 -0.28 -0.09 -0.91 0.00 0.00 0.00 176.54 175.95 3jx3 h THR 591 N 0.32 0.80 -0.71 4.70 1.35 -1.93 0.84 112.91 118.27 3jx3 h THR 591 Ca 0.52 -0.33 0.11 0.00 -0.55 0.00 0.00 66.41 66.16 3jx3 h THR 591 Cb 0.99 1.19 -0.08 0.00 -1.73 0.00 0.00 68.15 68.53 3jx3 h THR 591 CO -0.56 0.09 0.33 -0.33 -0.25 0.00 0.00 175.52 174.80 3jx3 h GLU 592 N 0.00 0.52 0.00 4.72 5.08 -1.69 0.24 114.58 123.45 3jx3 h GLU 592 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3jx3 h GLU 592 Cb 0.19 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3jx3 h GLU 592 CO 0.01 0.35 -0.15 0.82 -1.00 0.00 0.00 179.01 179.04 3jx3 h ILE 593 N 0.54 0.92 -0.16 3.13 2.04 -1.51 -1.67 117.51 120.80 3jx3 h ILE 593 Ca 0.36 -1.74 -0.14 0.00 1.00 0.00 0.00 64.86 64.35 3jx3 h ILE 593 Cb 0.44 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3jx3 h ILE 593 CO -0.31 0.31 -0.50 1.23 0.00 0.00 0.00 178.15 178.89 3jx3 h GLY 594 N -1.00 0.47 0.00 5.37 0.00 -0.86 -1.01 103.07 106.03 3jx3 h GLY 594 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3jx3 h GLY 594 CO -0.02 0.46 -0.21 -2.08 0.00 0.00 0.00 176.54 174.69 3jx3 h VAL 595 N 0.34 0.00 0.15 4.60 2.07 -1.16 -3.36 116.25 118.88 3jx3 h VAL 595 Ca 0.02 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3jx3 h VAL 595 Cb 0.99 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3jx3 h VAL 595 CO 0.09 0.00 -0.07 0.03 0.02 0.00 0.00 177.57 177.64 3jx3 h ARG 596 N -0.52 -0.19 -0.47 1.57 2.47 -1.44 -0.62 114.38 115.19 3jx3 h ARG 596 Ca 0.00 0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.62 3jx3 h ARG 596 Cb 0.21 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 3jx3 h ARG 596 CO 0.00 0.20 -0.16 -0.91 0.56 0.00 0.00 179.97 179.66 3jx3 h ASN 597 N -0.94 0.90 0.19 7.04 2.35 -1.21 -1.95 115.58 121.97 3jx3 h ASN 597 Ca -0.02 -0.31 -0.35 0.00 -0.55 0.00 0.00 56.30 55.07 3jx3 h ASN 597 Cb 0.48 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3jx3 h ASN 597 CO 0.03 1.05 -1.89 1.88 -1.65 0.00 0.00 177.43 176.86 3jx3 h TYR 598 N 0.79 0.50 0.00 1.19 0.99 -1.33 -2.15 116.97 116.96 3jx3 h TYR 598 Ca 0.12 -0.36 0.00 0.00 2.00 0.00 0.00 58.73 60.49 3jx3 h TYR 598 Cb 0.69 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.40 3jx3 h TYR 598 CO 0.04 1.67 -0.65 0.00 -0.00 0.00 0.00 178.16 179.22 3jx3 n ASP 600 N -1.34 1.42 0.00 0.00 10.43 -0.74 -4.66 116.55 121.67 3jx3 n ASP 600 Ca 0.02 1.06 -0.01 0.00 2.57 0.00 0.00 54.79 58.43 3jx3 n ASP 600 Cb 0.19 -1.36 0.27 0.00 1.84 0.00 0.00 41.12 42.05 3jx3 n ASP 600 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3jx3 h ASN 601 N 1.67 0.49 -0.40 -2.24 -0.26 -1.92 -2.72 115.58 110.21 3jx3 h ASN 601 Ca -0.44 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.19 3jx3 h ASN 601 Cb 1.33 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 3jx3 h ASN 601 CO 0.58 0.61 0.00 -1.54 -1.06 0.00 0.00 177.43 176.02 3jx3 n SER 602 N -4.24 3.31 0.00 5.81 3.41 -1.26 -4.70 113.62 115.95 3jx3 n SER 602 Ca 0.01 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 3jx3 n SER 602 Cb 0.29 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3jx3 n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jx3 n ARG 603 N 0.57 3.09 0.26 4.33 5.12 -1.04 -4.10 116.66 124.89 3jx3 n ARG 603 Ca 0.16 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.21 3jx3 n ARG 603 Cb 0.65 0.00 0.68 0.00 -1.16 0.00 0.00 32.46 32.63 3jx3 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jx3 h TYR 604 N 0.00 0.00 -5.85 -1.55 -1.99 -1.52 -3.42 116.97 102.64 3jx3 h TYR 604 Ca 0.00 0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.38 3jx3 h TYR 604 Cb 0.00 0.00 0.13 0.00 2.00 0.00 0.00 36.73 38.86 3jx3 h TYR 604 CO 0.00 0.13 -0.88 -1.71 -0.00 0.00 0.00 178.16 175.71 3jx3 n ASN 605 N -3.52 -4.84 -1.06 3.88 4.05 0.77 -4.89 115.26 109.65 3jx3 n ASN 605 Ca -0.01 -0.83 0.12 0.00 0.45 0.00 0.00 54.58 54.31 3jx3 n ASN 605 Cb 0.28 -4.37 0.19 0.00 1.23 0.00 0.00 39.78 37.11 3jx3 n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jx3 n ILE 606 N -3.81 0.31 -0.14 -1.44 -5.35 -0.73 -4.51 119.36 103.69 3jx3 n ILE 606 Ca -0.14 -0.64 -0.04 0.00 -0.27 0.00 0.00 62.75 61.67 3jx3 n ILE 606 Cb 0.62 1.13 0.03 0.00 -1.74 0.00 0.00 39.64 39.69 3jx3 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jx3 h LEU 607 N 4.45 -0.34 -0.04 7.28 3.38 -1.87 -0.95 115.31 127.22 3jx3 h LEU 607 Ca 0.00 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3jx3 h LEU 607 Cb 0.97 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 3jx3 h LEU 607 CO 0.00 -0.12 0.02 -0.33 0.09 0.00 0.00 178.44 178.10 3jx3 h GLU 608 N 0.03 0.05 -0.46 1.13 5.08 -1.99 0.09 114.58 118.52 3jx3 h GLU 608 Ca 0.22 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3jx3 h GLU 608 Cb 0.34 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3jx3 h GLU 608 CO -0.44 0.09 0.01 1.49 -1.00 0.00 0.00 179.01 179.17 3jx3 h GLU 609 N -0.01 0.75 0.03 2.33 4.81 -1.81 0.22 114.58 120.90 3jx3 h GLU 609 Ca 0.01 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3jx3 h GLU 609 Cb 0.06 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3jx3 h GLU 609 CO -0.00 0.75 -0.01 0.28 -0.73 0.00 0.00 179.01 179.30 3jx3 h VAL 610 N 0.70 1.24 0.00 0.32 2.07 -0.94 -2.68 116.25 116.95 3jx3 h VAL 610 Ca 0.14 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3jx3 h VAL 610 Cb 0.42 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3jx3 h VAL 610 CO 0.02 0.21 -0.08 0.00 0.02 0.00 0.00 177.57 177.74 3jx3 h ALA 611 N 0.55 1.53 0.31 1.67 0.00 -0.81 -0.36 119.26 122.15 3jx3 h ALA 611 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3jx3 h ALA 611 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3jx3 h ALA 611 CO 0.01 0.10 -0.15 0.87 0.00 0.00 0.00 179.25 180.07 3jx3 h LYS 612 N 0.00 -0.40 0.00 0.00 1.57 -0.89 -2.00 116.57 114.84 3jx3 h LYS 612 Ca -0.00 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3jx3 h LYS 612 Cb 0.18 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3jx3 h LYS 612 CO 0.01 -0.12 -0.04 0.87 -0.57 0.00 0.00 179.45 179.60 3jx3 h LYS 613 N -0.66 0.00 -0.00 3.15 1.79 -1.10 -0.65 116.57 119.10 3jx3 h LYS 613 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3jx3 h LYS 613 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3jx3 h LYS 613 CO 0.07 0.04 -0.05 -1.33 -1.08 0.00 0.00 179.45 177.10 3jx3 n MET 614 N -4.23 0.43 -3.99 3.15 2.81 -0.19 -4.93 117.12 110.17 3jx3 n MET 614 Ca -0.03 -0.06 -0.31 0.00 -1.81 0.00 0.00 57.70 55.49 3jx3 n MET 614 Cb 0.12 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.14 3jx3 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jx3 n ASP 615 N -1.24 -3.67 -4.79 7.83 4.64 -0.25 -4.97 116.55 114.11 3jx3 n ASP 615 Ca 0.13 -0.87 -0.33 0.00 -1.38 0.00 0.00 54.79 52.34 3jx3 n ASP 615 Cb 0.26 -3.49 0.00 0.00 -1.04 0.00 0.00 41.12 36.86 3jx3 n ASP 615 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3jx3 s LEU 616 N -7.20 3.61 -0.35 -2.67 1.43 -0.80 -4.97 118.68 107.73 3jx3 s LEU 616 Ca 0.57 1.91 -0.28 0.00 -1.03 0.00 0.00 54.13 55.30 3jx3 s LEU 616 Cb -0.30 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.36 3jx3 s LEU 616 CO 0.86 -1.12 1.72 -0.62 0.23 0.00 0.00 176.35 177.42 3jx3 s ASP 617 N -2.42 5.96 0.00 2.29 3.68 -1.26 -4.86 116.67 120.06 3jx3 s ASP 617 Ca 0.66 1.18 0.19 0.00 2.13 0.00 0.00 52.55 56.71 3jx3 s ASP 617 Cb -0.18 -2.53 0.24 0.00 -1.45 0.00 0.00 42.92 39.00 3jx3 s ASP 617 CO 0.32 -1.67 1.18 0.23 0.13 0.00 0.00 175.17 175.36 3jx3 n MET 618 N 8.38 1.92 0.24 4.34 2.81 -1.26 -4.40 117.12 129.15 3jx3 n MET 618 Ca 0.22 -1.83 0.12 0.00 -1.81 0.00 0.00 57.70 54.40 3jx3 n MET 618 Cb 0.47 -1.39 0.54 0.00 -0.71 0.00 0.00 33.22 32.13 3jx3 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jx3 h ARG 619 N 3.70 0.00 -3.79 0.03 3.08 -2.04 -3.43 114.38 111.92 3jx3 h ARG 619 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 3jx3 h ARG 619 Cb 0.82 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.54 3jx3 h ARG 619 CO 0.00 0.16 -0.75 -1.59 -1.07 0.00 0.00 179.97 176.72 3jx3 s LYS 620 N -3.70 0.34 0.55 0.04 -2.85 -1.26 -5.02 119.74 107.84 3jx3 s LYS 620 Ca 0.00 0.03 0.27 0.00 -1.00 0.00 0.00 55.97 55.28 3jx3 s LYS 620 Cb 0.10 -0.48 1.46 0.00 -2.06 0.00 0.00 37.83 36.85 3jx3 s LYS 620 CO 0.61 -0.10 1.99 1.79 0.10 0.00 0.00 175.35 179.73 3jx3 h THR 621 N 6.08 0.61 0.00 3.79 1.35 -1.91 -1.54 112.91 121.29 3jx3 h THR 621 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3jx3 h THR 621 Cb 1.14 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3jx3 h THR 621 CO 0.48 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.21 3jx3 n SER 622 N -4.16 0.00 0.12 5.36 3.41 -1.26 -0.79 113.62 116.31 3jx3 n SER 622 Ca 0.09 -0.40 0.13 0.00 -0.26 0.00 0.00 58.87 58.42 3jx3 n SER 622 Cb 0.60 -0.12 0.43 0.00 -0.26 0.00 0.00 64.21 64.85 3jx3 n SER 622 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3jx3 h SER 623 N 0.00 0.00 -3.74 4.04 4.64 -1.58 -3.47 113.55 113.45 3jx3 h SER 623 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3jx3 h SER 623 Cb 0.09 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.22 3jx3 h SER 623 CO 0.00 0.00 -0.51 0.18 -0.87 0.00 0.00 176.83 175.63 3jx3 n LEU 624 N -2.33 -2.47 -0.34 5.97 4.77 0.03 -4.91 117.00 117.73 3jx3 n LEU 624 Ca 0.04 -0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 55.79 3jx3 n LEU 624 Cb 0.37 -2.59 0.15 0.00 -2.33 0.00 0.00 43.42 39.02 3jx3 n LEU 624 CO 0.27 0.17 1.28 4.11 -1.33 0.00 0.00 177.39 181.90 3jx3 h TRP 625 N -1.10 1.19 -0.43 -1.77 5.08 -1.81 -0.64 115.95 116.47 3jx3 h TRP 625 Ca -0.45 0.03 -0.04 0.00 1.08 0.00 0.00 58.89 59.52 3jx3 h TRP 625 Cb 1.31 -0.40 -0.02 0.00 -3.00 0.00 0.00 29.16 27.05 3jx3 h TRP 625 CO 0.44 0.74 0.12 0.87 -1.28 0.00 0.00 178.44 179.33 3jx3 h LYS 626 N 1.27 0.67 -0.79 0.12 1.57 -1.91 -0.93 116.57 116.58 3jx3 h LYS 626 Ca 0.35 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3jx3 h LYS 626 Cb -0.13 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 3jx3 h LYS 626 CO -0.08 0.67 0.40 -0.44 -0.57 0.00 0.00 179.45 179.42 3jx3 h ASP 627 N 0.55 1.00 0.03 0.86 5.19 -1.75 -1.01 116.42 121.30 3jx3 h ASP 627 Ca 0.14 -0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3jx3 h ASP 627 Cb 0.28 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.54 3jx3 h ASP 627 CO -0.00 0.83 -0.02 1.56 -3.12 0.00 0.00 179.24 178.50 3jx3 h GLN 628 N 1.11 -0.04 -0.75 3.56 4.20 -0.86 -2.43 115.11 119.89 3jx3 h GLN 628 Ca 0.27 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.02 3jx3 h GLN 628 Cb 0.08 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3jx3 h GLN 628 CO -0.04 0.21 0.50 0.00 -0.67 0.00 0.00 178.83 178.83 3jx3 h ALA 629 N 0.66 1.56 -0.47 3.87 0.00 -1.10 -2.15 119.26 121.63 3jx3 h ALA 629 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3jx3 h ALA 629 Cb 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3jx3 h ALA 629 CO 0.01 0.36 0.08 1.25 0.00 0.00 0.00 179.25 180.96 3jx3 h LEU 630 N 0.92 0.74 -0.58 0.00 5.85 -1.08 -1.40 115.31 119.76 3jx3 h LEU 630 Ca 0.30 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3jx3 h LEU 630 Cb 0.06 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3jx3 h LEU 630 CO -0.09 0.81 0.26 0.58 -0.34 0.00 0.00 178.44 179.66 3jx3 h VAL 631 N 0.65 1.21 -0.82 1.05 2.07 -1.01 -2.27 116.25 117.12 3jx3 h VAL 631 Ca 0.14 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 3jx3 h VAL 631 Cb 0.37 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3jx3 h VAL 631 CO 0.01 0.25 0.38 -0.33 0.02 0.00 0.00 177.57 177.89 3jx3 h GLU 632 N 0.78 1.20 -0.62 1.57 4.39 -0.93 -0.44 114.58 120.53 3jx3 h GLU 632 Ca 0.20 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 3jx3 h GLU 632 Cb 0.15 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 3jx3 h GLU 632 CO -0.02 0.93 0.06 0.82 -1.16 0.00 0.00 179.01 179.64 3jx3 h ILE 633 N 1.18 1.26 -0.09 3.13 2.04 -1.15 -1.54 117.51 122.35 3jx3 h ILE 633 Ca 0.28 -1.08 -0.12 0.00 1.00 0.00 0.00 64.86 64.94 3jx3 h ILE 633 Cb 0.15 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3jx3 h ILE 633 CO -0.03 0.40 -0.49 0.78 0.00 0.00 0.00 178.15 178.80 3jx3 h ASN 634 N 0.96 0.25 -0.16 1.72 2.35 -0.87 -1.48 115.58 118.36 3jx3 h ASN 634 Ca 0.18 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3jx3 h ASN 634 Cb 0.49 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3jx3 h ASN 634 CO 0.02 0.70 0.09 0.40 -1.65 0.00 0.00 177.43 177.00 3jx3 h ILE 635 N 0.19 1.08 -0.49 2.81 2.04 -0.83 -2.51 117.51 119.79 3jx3 h ILE 635 Ca 0.01 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.71 3jx3 h ILE 635 Cb 0.94 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 3jx3 h ILE 635 CO 0.08 0.07 0.23 0.00 0.00 0.00 0.00 178.15 178.53 3jx3 h ALA 636 N 1.00 0.62 -0.17 1.87 0.00 -0.99 0.19 119.26 121.78 3jx3 h ALA 636 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jx3 h ALA 636 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3jx3 h ALA 636 CO -0.01 -0.13 0.10 0.28 0.00 0.00 0.00 179.25 179.49 3jx3 h VAL 637 N 0.45 1.08 -0.50 0.00 2.07 -1.15 0.32 116.25 118.52 3jx3 h VAL 637 Ca 0.22 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 3jx3 h VAL 637 Cb 0.16 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3jx3 h VAL 637 CO -0.17 0.08 -0.05 -0.07 0.02 0.00 0.00 177.57 177.37 3jx3 h LEU 638 N 0.20 0.92 -0.39 2.57 3.38 -1.21 -2.18 115.31 118.59 3jx3 h LEU 638 Ca 0.06 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3jx3 h LEU 638 Cb 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3jx3 h LEU 638 CO -0.01 1.03 0.19 0.22 0.09 0.00 0.00 178.44 179.96 3jx3 h TYR 639 N 0.78 0.35 -0.48 1.13 3.20 -0.65 -1.27 116.97 120.03 3jx3 h TYR 639 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3jx3 h TYR 639 Cb 0.59 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3jx3 h TYR 639 CO 0.04 0.18 0.17 0.77 -1.64 0.00 0.00 178.16 177.69 3jx3 h SER 640 N 0.39 0.69 0.18 -2.11 0.02 -0.77 0.13 113.55 112.08 3jx3 h SER 640 Ca 0.17 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3jx3 h SER 640 Cb 0.08 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3jx3 h SER 640 CO -0.12 0.69 -0.09 -0.26 -1.14 0.00 0.00 176.83 175.91 3jx3 h PHE 641 N 0.64 -0.23 -0.50 3.45 -1.00 -1.20 -1.70 116.94 116.41 3jx3 h PHE 641 Ca 0.16 -0.01 0.08 0.00 2.81 0.00 0.00 57.97 61.02 3jx3 h PHE 641 Cb 0.23 0.08 -0.07 0.00 3.61 0.00 0.00 35.95 39.80 3jx3 h PHE 641 CO 0.01 0.06 0.10 1.96 -1.61 0.00 0.00 178.31 178.83 3jx3 h GLN 642 N -0.51 0.23 -0.78 1.51 4.20 -1.23 -0.28 115.11 118.25 3jx3 h GLN 642 Ca -0.03 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.71 3jx3 h GLN 642 Cb 0.39 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 3jx3 h GLN 642 CO 0.04 0.15 0.51 0.77 -0.67 0.00 0.00 178.83 179.64 3jx3 h SER 643 N 0.24 0.81 -0.27 1.46 0.02 -0.87 -1.21 113.55 113.72 3jx3 h SER 643 Ca 0.25 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3jx3 h SER 643 Cb 0.33 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3jx3 h SER 643 CO -0.32 0.55 0.00 0.47 -1.14 0.00 0.00 176.83 176.39 3jx3 n ASP 644 N -4.46 2.21 -3.29 3.07 8.00 -0.65 -4.94 116.55 116.49 3jx3 n ASP 644 Ca 0.10 -1.83 -0.22 0.00 0.71 0.00 0.00 54.79 53.55 3jx3 n ASP 644 Cb 0.13 -0.17 0.07 0.00 -0.02 0.00 0.00 41.12 41.12 3jx3 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jx3 n LYS 645 N 0.68 -7.05 -4.13 -1.24 5.02 -0.27 -4.99 118.16 106.18 3jx3 n LYS 645 Ca 0.17 0.78 -0.34 0.00 -2.02 0.00 0.00 58.31 56.89 3jx3 n LYS 645 Cb 0.40 -5.62 -0.11 0.00 -0.02 0.00 0.00 35.03 29.68 3jx3 n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jx3 s VAL 646 N -3.28 4.48 0.31 -0.18 1.01 -0.29 -4.24 120.40 118.21 3jx3 s VAL 646 Ca 0.51 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 3jx3 s VAL 646 Cb -0.23 -3.00 -0.11 0.00 0.00 0.00 0.00 36.38 33.04 3jx3 s VAL 646 CO 0.63 0.47 1.60 0.41 0.00 0.00 0.00 175.10 178.21 3jx3 n THR 647 N 3.57 1.13 -3.51 3.92 -1.04 0.01 -4.23 114.28 114.13 3jx3 n THR 647 Ca -0.17 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.05 61.44 3jx3 n THR 647 Cb 0.52 -2.00 -0.04 0.00 -1.82 0.00 0.00 70.33 67.00 3jx3 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jx3 s ILE 648 N -0.12 0.02 -0.02 12.58 2.07 -1.26 -4.37 121.20 130.10 3jx3 s ILE 648 Ca 0.63 -0.18 0.01 0.00 -1.41 0.00 0.00 60.65 59.70 3jx3 s ILE 648 Cb -0.48 -1.03 0.01 0.00 0.13 0.00 0.00 42.46 41.09 3jx3 s ILE 648 CO 0.50 -0.10 -0.05 0.54 -1.91 0.00 0.00 174.94 173.92 3jx3 s VAL 649 N -3.29 0.50 0.74 4.00 0.11 -0.53 -4.99 120.40 116.94 3jx3 s VAL 649 Ca -0.01 -0.18 -0.11 0.00 -2.93 0.00 0.00 61.98 58.75 3jx3 s VAL 649 Cb -0.00 -0.48 0.03 0.00 -1.53 0.00 0.00 36.38 34.40 3jx3 s VAL 649 CO -0.09 0.18 1.08 1.51 -3.33 0.00 0.00 175.10 174.45 3jx3 s ASP 650 N 0.43 5.03 0.49 3.54 -4.77 -1.26 -0.77 116.67 119.36 3jx3 s ASP 650 Ca -0.05 1.46 0.29 0.00 -3.30 0.00 0.00 52.55 50.95 3jx3 s ASP 650 Cb -0.09 -2.28 1.09 0.00 -1.09 0.00 0.00 42.92 40.54 3jx3 s ASP 650 CO -0.00 -1.65 1.88 1.12 0.70 0.00 0.00 175.17 177.22 3jx3 h HIS 651 N -0.86 0.00 0.06 2.11 2.07 -1.98 -0.53 115.15 116.01 3jx3 h HIS 651 Ca -0.45 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 3jx3 h HIS 651 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 3jx3 h HIS 651 CO 0.55 0.10 -0.03 0.45 -3.07 0.00 0.00 177.93 175.93 3jx3 h HIS 652 N 0.00 -0.07 -0.47 6.12 3.86 -1.95 -2.73 115.15 119.90 3jx3 h HIS 652 Ca -0.00 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 3jx3 h HIS 652 Cb 0.66 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 3jx3 h HIS 652 CO 0.00 0.49 0.12 1.03 0.86 0.00 0.00 177.93 180.43 3jx3 h SER 653 N -0.72 0.71 -0.46 2.45 0.87 -1.94 -2.30 113.55 112.17 3jx3 h SER 653 Ca -0.01 -0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.35 3jx3 h SER 653 Cb 0.60 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 3jx3 h SER 653 CO 0.01 0.75 0.26 0.00 -0.53 0.00 0.00 176.83 177.32 3jx3 h ALA 654 N 0.98 0.58 -0.17 6.23 0.00 -1.18 -1.49 119.26 124.22 3jx3 h ALA 654 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 3jx3 h ALA 654 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3jx3 h ALA 654 CO 0.00 -0.07 -0.66 1.79 0.00 0.00 0.00 179.25 180.31 3jx3 h THR 655 N 0.51 1.31 -0.52 0.00 1.35 -1.49 -0.70 112.91 113.38 3jx3 h THR 655 Ca 0.19 -1.92 0.01 0.00 -0.55 0.00 0.00 66.41 64.14 3jx3 h THR 655 Cb 0.05 1.89 -0.03 0.00 -1.73 0.00 0.00 68.15 68.33 3jx3 h THR 655 CO -0.11 0.60 0.34 -0.08 -0.25 0.00 0.00 175.52 176.02 3jx3 h GLU 656 N 0.47 0.66 -0.59 4.72 4.81 -1.31 -1.38 114.58 121.97 3jx3 h GLU 656 Ca -0.02 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 3jx3 h GLU 656 Cb 1.25 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3jx3 h GLU 656 CO 0.13 0.44 0.10 0.77 -0.73 0.00 0.00 179.01 179.72 3jx3 h SER 657 N 0.68 0.89 -0.84 1.04 0.02 -1.18 -2.74 113.55 111.42 3jx3 h SER 657 Ca 0.20 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3jx3 h SER 657 Cb -0.05 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.21 3jx3 h SER 657 CO -0.06 0.89 0.44 0.15 -1.14 0.00 0.00 176.83 177.12 3jx3 h PHE 658 N 0.89 1.17 -0.53 3.45 3.57 -0.75 0.21 116.94 124.95 3jx3 h PHE 658 Ca 0.18 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3jx3 h PHE 658 Cb 0.38 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3jx3 h PHE 658 CO 0.02 0.82 0.34 0.82 -2.23 0.00 0.00 178.31 178.09 3jx3 h ILE 659 N 1.18 1.14 -0.36 1.41 1.08 -1.07 0.34 117.51 121.23 3jx3 h ILE 659 Ca 0.29 -0.28 -0.02 0.00 -0.39 0.00 0.00 64.86 64.47 3jx3 h ILE 659 Cb 0.06 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 3jx3 h ILE 659 CO -0.04 0.14 0.16 0.11 -0.69 0.00 0.00 178.15 177.83 3jx3 h LYS 660 N 0.71 0.52 -0.22 2.37 1.57 -1.18 0.09 116.57 120.43 3jx3 h LYS 660 Ca 0.19 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 3jx3 h LYS 660 Cb -0.06 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 3jx3 h LYS 660 CO -0.04 0.49 -0.16 1.25 -0.57 0.00 0.00 179.45 180.41 3jx3 h HIS 661 N 0.44 -0.41 -0.43 -1.35 2.76 -0.26 -1.09 115.15 114.81 3jx3 h HIS 661 Ca 0.12 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3jx3 h HIS 661 Cb 0.15 0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 3jx3 h HIS 661 CO -0.01 -0.24 0.23 1.98 -1.30 0.00 0.00 177.93 178.60 3jx3 h MET 662 N -0.16 0.59 -0.74 5.26 1.85 0.04 0.13 114.93 121.90 3jx3 h MET 662 Ca 0.13 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 59.15 3jx3 h MET 662 Cb 0.35 -0.12 -0.04 0.00 0.43 0.00 0.00 31.60 32.23 3jx3 h MET 662 CO -0.32 0.47 0.48 0.93 -0.40 0.00 0.00 176.91 178.07 3jx3 h GLU 663 N 0.55 0.98 -0.36 0.39 5.08 -0.84 -1.73 114.58 118.65 3jx3 h GLU 663 Ca 0.15 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3jx3 h GLU 663 Cb 0.05 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3jx3 h GLU 663 CO -0.02 0.66 0.24 -0.97 -1.00 0.00 0.00 179.01 177.91 3jx3 h ASN 664 N 1.00 0.42 -0.83 1.42 -1.24 -0.45 -1.92 115.58 113.98 3jx3 h ASN 664 Ca 0.27 -0.02 0.07 0.00 0.71 0.00 0.00 56.30 57.33 3jx3 h ASN 664 Cb -0.09 -0.11 -0.05 0.00 0.73 0.00 0.00 38.32 38.80 3jx3 h ASN 664 CO -0.06 0.32 0.54 -0.33 -1.29 0.00 0.00 177.43 176.61 3jx3 h GLU 665 N 0.49 0.86 -0.16 6.67 4.39 -0.46 0.10 114.58 126.46 3jx3 h GLU 665 Ca 0.13 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3jx3 h GLU 665 Cb -0.04 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 3jx3 h GLU 665 CO -0.03 0.57 0.05 1.88 -1.16 0.00 0.00 179.01 180.32 3jx3 h TYR 666 N 0.88 0.27 0.18 4.33 -1.99 -1.05 0.17 116.97 119.76 3jx3 h TYR 666 Ca 0.36 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 61.06 3jx3 h TYR 666 Cb 0.28 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 38.93 3jx3 h TYR 666 CO -0.00 0.38 -0.09 0.00 -0.00 0.00 0.00 178.16 178.45 3jx3 h ARG 667 N 0.08 -0.25 0.00 4.88 -0.00 -0.62 -2.38 114.38 116.10 3jx3 h ARG 667 Ca 0.05 0.02 -0.17 0.00 -0.50 0.00 0.00 59.98 59.38 3jx3 h ARG 667 Cb 0.24 0.06 -0.03 0.00 0.00 0.00 0.00 29.97 30.24 3jx3 h ARG 667 CO -0.00 -0.16 -1.27 0.00 0.00 0.00 0.00 179.97 178.53 3jx3 n ARG 669 N -2.97 2.18 -0.35 0.00 0.63 0.52 -5.02 116.66 111.65 3jx3 n ARG 669 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 3jx3 n ARG 669 Cb 0.84 -0.82 0.00 0.00 0.45 0.00 0.00 32.46 32.93 3jx3 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jx3 n GLY 670 N 1.90 0.74 0.00 5.14 0.00 -0.80 -4.60 105.19 107.58 3jx3 n GLY 670 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3jx3 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx3 n GLY 671 N -2.16 0.64 2.98 -0.02 0.00 -1.17 0.52 105.19 105.98 3jx3 n GLY 671 Ca 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 3jx3 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx3 s PRO 673 N 2.49 4.28 -0.16 0.00 0.04 -1.26 -4.65 135.00 135.74 3jx3 s PRO 673 Ca 0.11 2.27 -0.10 0.00 0.04 0.00 0.00 61.00 63.31 3jx3 s PRO 673 Cb -0.11 -3.12 0.05 0.00 0.04 0.00 0.00 34.50 31.36 3jx3 s PRO 673 CO -0.26 -0.39 0.40 0.00 0.04 0.00 0.00 177.00 176.79 3jx3 s ALA 674 N -0.03 -1.01 -0.47 8.56 0.00 -0.46 -4.13 121.76 124.22 3jx3 s ALA 674 Ca 0.59 1.39 -0.14 0.00 0.00 0.00 0.00 51.96 53.80 3jx3 s ALA 674 Cb -0.41 -0.84 0.09 0.00 0.00 0.00 0.00 23.12 21.96 3jx3 s ALA 674 CO 0.43 -0.24 0.38 0.34 0.00 0.00 0.00 175.76 176.67 3jx3 s ASP 675 N 1.06 6.03 0.22 0.00 -1.08 -0.20 -3.47 116.67 119.23 3jx3 s ASP 675 Ca -0.07 -1.48 -0.09 0.00 -0.52 0.00 0.00 52.55 50.39 3jx3 s ASP 675 Cb -0.07 -2.14 0.19 0.00 -1.46 0.00 0.00 42.92 39.44 3jx3 s ASP 675 CO -0.09 -0.67 1.88 -0.25 0.52 0.00 0.00 175.17 176.57 3jx3 h TRP 676 N 8.69 1.08 -0.77 -5.34 7.01 -1.93 0.82 115.95 125.52 3jx3 h TRP 676 Ca -0.27 0.01 0.20 0.00 2.11 0.00 0.00 58.89 60.94 3jx3 h TRP 676 Cb 1.10 -0.36 -0.04 0.00 -2.10 0.00 0.00 29.16 27.76 3jx3 h TRP 676 CO 0.65 0.70 0.54 0.28 -2.79 0.00 0.00 178.44 177.82 3jx3 h VAL 677 N 1.15 0.66 0.00 2.65 2.07 -1.93 -0.96 116.25 119.90 3jx3 h VAL 677 Ca 0.31 -0.05 -0.36 0.00 0.82 0.00 0.00 66.70 67.42 3jx3 h VAL 677 Cb -0.09 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 3jx3 h VAL 677 CO -0.06 0.02 -2.35 0.79 0.02 0.00 0.00 177.57 175.99 3jx3 n TRP 678 N -4.38 0.00 -0.20 1.57 7.02 -0.71 -4.48 117.44 116.26 3jx3 n TRP 678 Ca 0.15 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.54 3jx3 n TRP 678 Cb 0.74 -0.95 0.02 0.00 -2.42 0.00 0.00 31.31 28.70 3jx3 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jx3 h ILE 679 N 0.00 1.26 -2.74 -0.99 1.08 -0.37 -3.42 117.51 112.33 3jx3 h ILE 679 Ca -0.53 -1.13 -0.54 0.00 -0.39 0.00 0.00 64.86 62.27 3jx3 h ILE 679 Cb 2.09 0.88 0.01 0.00 -3.07 0.00 0.00 36.82 36.73 3jx3 h ILE 679 CO -0.01 0.40 0.96 -0.69 -0.69 0.00 0.00 178.15 178.13 3jx3 s VAL 680 N -5.02 3.26 0.74 1.67 1.01 -0.41 -4.92 120.40 116.73 3jx3 s VAL 680 Ca -0.12 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 62.38 3jx3 s VAL 680 Cb 0.13 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 33.12 3jx3 s VAL 680 CO 0.84 -0.01 1.23 -2.84 0.00 0.00 0.00 175.10 174.33 3jx3 s PRO 681 N 2.67 2.04 0.00 2.72 0.02 -1.26 -4.91 135.00 136.28 3jx3 s PRO 681 Ca 0.71 1.84 0.22 0.00 0.02 0.00 0.00 61.00 63.79 3jx3 s PRO 681 Cb -0.37 -1.81 1.21 0.00 0.02 0.00 0.00 34.50 33.55 3jx3 s PRO 681 CO 0.30 -1.93 1.79 -0.35 -0.33 0.00 0.00 177.00 176.49 3jx3 n PRO 682 N -2.74 1.15 -4.19 5.54 -0.04 -1.26 -4.34 135.00 129.12 3jx3 n PRO 682 Ca 0.14 -0.23 -0.14 0.00 -0.04 0.00 0.00 63.50 63.23 3jx3 n PRO 682 Cb 0.50 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 3jx3 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jx3 s MET 683 N -1.97 0.88 -1.44 0.54 0.23 -1.26 -4.94 119.30 111.36 3jx3 s MET 683 Ca 0.33 -1.22 -0.08 0.00 -1.03 0.00 0.00 55.69 53.69 3jx3 s MET 683 Cb 0.16 -0.54 0.04 0.00 -1.53 0.00 0.00 34.83 32.97 3jx3 s MET 683 CO 0.26 0.08 0.65 0.43 -2.03 0.00 0.00 175.02 174.41 3jx3 n SER 684 N 0.40 -5.01 -0.23 -1.18 7.64 -1.26 -4.88 113.62 109.11 3jx3 n SER 684 Ca -0.15 -0.41 -0.06 0.00 1.01 0.00 0.00 58.87 59.26 3jx3 n SER 684 Cb 0.58 -4.06 -0.05 0.00 -1.01 0.00 0.00 64.21 59.67 3jx3 n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jx3 n GLY 685 N -1.44 -2.79 0.00 0.23 0.00 -1.26 -2.40 105.19 97.53 3jx3 n GLY 685 Ca -0.04 0.91 0.14 0.00 0.00 0.00 0.00 46.02 47.02 3jx3 n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx3 n SER 686 N -4.23 0.00 -0.56 1.61 3.41 -1.26 -1.86 113.62 110.73 3jx3 n SER 686 Ca 0.01 0.09 0.07 0.00 -0.26 0.00 0.00 58.87 58.78 3jx3 n SER 686 Cb 0.14 -0.35 0.22 0.00 -0.26 0.00 0.00 64.21 63.96 3jx3 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jx3 n ILE 687 N -1.35 0.35 -4.21 -1.33 -5.35 -1.01 -4.79 119.36 101.67 3jx3 n ILE 687 Ca 0.11 -0.39 -0.32 0.00 -0.27 0.00 0.00 62.75 61.88 3jx3 n ILE 687 Cb 0.25 0.24 -0.08 0.00 -1.74 0.00 0.00 39.64 38.31 3jx3 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jx3 s THR 688 N -1.65 4.25 0.30 7.28 -4.23 -0.78 -5.03 115.64 115.79 3jx3 s THR 688 Ca 0.25 -0.66 0.31 0.00 -1.18 0.00 0.00 61.69 60.41 3jx3 s THR 688 Cb 0.13 -2.94 0.33 0.00 1.34 0.00 0.00 72.50 71.36 3jx3 s THR 688 CO 0.18 0.30 2.04 1.55 -0.54 0.00 0.00 174.62 178.15 3jx3 h PRO 689 N 4.04 0.00 0.00 3.99 0.13 -1.86 -3.05 132.00 135.24 3jx3 h PRO 689 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 3jx3 h PRO 689 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3jx3 h PRO 689 CO 0.59 0.09 -0.38 -0.39 -0.23 0.00 0.00 178.00 177.69 3jx3 h VAL 690 N 0.00 1.22 -0.93 1.56 -1.51 -1.88 -2.89 116.25 111.82 3jx3 h VAL 690 Ca -0.00 -1.32 0.13 0.00 -1.23 0.00 0.00 66.70 64.28 3jx3 h VAL 690 Cb 0.43 1.72 -0.07 0.00 -2.13 0.00 0.00 31.29 31.24 3jx3 h VAL 690 CO 0.01 0.37 0.59 0.15 -1.23 0.00 0.00 177.57 177.46 3jx3 h PHE 691 N 0.00 0.94 -0.01 5.19 3.57 -1.73 -1.24 116.94 123.66 3jx3 h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3jx3 h PHE 691 Cb 0.69 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.13 3jx3 h PHE 691 CO 0.00 0.37 -0.02 0.72 -2.23 0.00 0.00 178.31 177.15 3jx3 n HIS 692 N -4.58 0.00 -3.42 0.41 8.25 -1.09 -4.82 115.22 109.97 3jx3 n HIS 692 Ca 0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.24 3jx3 n HIS 692 Cb 0.41 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.42 3jx3 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jx3 s GLN 693 N -2.04 3.72 0.41 -0.41 2.00 -0.47 -0.98 119.66 121.89 3jx3 s GLN 693 Ca 0.38 -0.29 -0.26 0.00 -2.00 0.00 0.00 55.36 53.19 3jx3 s GLN 693 Cb 0.21 -3.75 -0.08 0.00 0.80 0.00 0.00 33.01 30.18 3jx3 s GLN 693 CO 0.35 -0.42 1.27 -1.21 -0.50 0.00 0.00 175.29 174.78 3jx3 s GLU 694 N 2.00 3.97 0.04 1.67 2.02 -0.77 -4.99 118.70 122.64 3jx3 s GLU 694 Ca 0.12 2.08 0.00 0.00 0.02 0.00 0.00 54.97 57.19 3jx3 s GLU 694 Cb -0.16 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 3jx3 s GLU 694 CO 0.11 -0.47 -0.04 -1.64 0.02 0.00 0.00 175.26 173.24 3jx3 s MET 695 N -2.27 0.48 -0.11 1.61 -1.94 -1.26 -4.64 119.30 111.17 3jx3 s MET 695 Ca 0.57 -0.85 0.03 0.00 -1.71 0.00 0.00 55.69 53.73 3jx3 s MET 695 Cb -0.36 0.02 0.00 0.00 2.01 0.00 0.00 34.83 36.50 3jx3 s MET 695 CO 0.46 -0.04 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.70 3jx3 s LEU 696 N -1.97 2.15 -0.18 -0.03 1.43 -1.26 -4.97 118.68 113.85 3jx3 s LEU 696 Ca -0.07 -0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 52.42 3jx3 s LEU 696 Cb -0.04 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 3jx3 s LEU 696 CO -0.03 0.14 0.00 0.21 0.23 0.00 0.00 176.35 176.90 3jx3 s ASN 697 N 0.48 5.05 0.24 2.29 3.04 -1.23 -1.35 114.94 123.47 3jx3 s ASN 697 Ca -0.15 -0.09 -0.20 0.00 0.04 0.00 0.00 52.86 52.46 3jx3 s ASN 697 Cb -0.17 -1.85 0.03 0.00 -1.54 0.00 0.00 41.25 37.72 3jx3 s ASN 697 CO 0.06 0.14 0.64 -0.72 -3.04 0.00 0.00 177.10 174.18 3jx3 s TYR 698 N 0.56 -0.19 -0.27 0.43 -0.85 -1.26 -4.96 117.35 110.81 3jx3 s TYR 698 Ca -0.00 -0.19 -0.06 0.00 -0.52 0.00 0.00 57.07 56.30 3jx3 s TYR 698 Cb -0.14 0.58 0.00 0.00 0.38 0.00 0.00 41.96 42.79 3jx3 s TYR 698 CO 0.02 -1.09 0.04 1.03 -1.52 0.00 0.00 175.55 174.02 3jx3 s ARG 699 N -3.89 3.19 0.08 -3.49 0.52 -1.26 -4.82 118.95 109.27 3jx3 s ARG 699 Ca 0.10 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.57 3jx3 s ARG 699 Cb -0.04 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 3jx3 s ARG 699 CO 0.02 -0.36 0.05 -0.51 0.02 0.00 0.00 175.30 174.52 3jx3 s LEU 700 N 1.49 3.67 0.13 2.53 1.43 -1.26 -3.73 118.68 122.93 3jx3 s LEU 700 Ca 0.03 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 3jx3 s LEU 700 Cb -0.16 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 3jx3 s LEU 700 CO 0.01 0.18 -0.07 0.42 0.23 0.00 0.00 176.35 177.12 3jx3 s THR 701 N -1.33 3.48 0.69 5.49 -4.23 -1.26 -4.19 115.64 114.29 3jx3 s THR 701 Ca 0.27 -1.32 -0.16 0.00 -1.18 0.00 0.00 61.69 59.30 3jx3 s THR 701 Cb -0.12 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 3jx3 s THR 701 CO 0.20 0.04 0.90 -2.65 -0.54 0.00 0.00 174.62 172.57 3jx3 n PRO 702 N 0.45 0.56 -3.83 3.99 -0.02 -1.26 -5.00 135.00 129.89 3jx3 n PRO 702 Ca -0.12 0.24 -0.11 0.00 -2.02 0.00 0.00 63.50 61.49 3jx3 n PRO 702 Cb 0.53 -2.15 -0.08 0.00 -0.02 0.00 0.00 33.50 31.77 3jx3 n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jx3 s SER 703 N -1.53 -0.01 -0.14 2.55 1.04 -0.72 -3.80 113.70 111.09 3jx3 s SER 703 Ca 0.73 -0.28 -0.16 0.00 0.48 0.00 0.00 55.95 56.73 3jx3 s SER 703 Cb -0.36 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 3jx3 s SER 703 CO 0.50 -0.53 0.38 -0.36 0.98 0.00 0.00 173.24 174.21 3jx3 s PHE 704 N -2.28 3.49 0.12 5.02 0.40 -1.26 -0.62 117.98 122.86 3jx3 s PHE 704 Ca -0.07 0.73 0.10 0.00 -0.60 0.00 0.00 56.93 57.09 3jx3 s PHE 704 Cb -0.02 -2.43 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 3jx3 s PHE 704 CO -0.02 0.22 -0.24 -1.21 0.70 0.00 0.00 175.22 174.67 3jx3 s GLU 705 N 0.49 1.29 0.53 0.44 0.41 0.16 -4.92 118.70 117.09 3jx3 s GLU 705 Ca 0.21 -1.28 -0.21 0.00 -0.41 0.00 0.00 54.97 53.28 3jx3 s GLU 705 Cb -0.14 -1.68 -0.05 0.00 -1.78 0.00 0.00 34.13 30.47 3jx3 s GLU 705 CO 0.07 0.39 1.20 -0.47 -0.49 0.00 0.00 175.26 175.96 3jx3 s TYR 706 N -1.14 2.59 0.07 1.61 5.04 -1.26 -0.39 117.35 123.86 3jx3 s TYR 706 Ca 0.11 1.51 0.02 0.00 -2.44 0.00 0.00 57.07 56.27 3jx3 s TYR 706 Cb -0.10 -3.46 -0.03 0.00 0.35 0.00 0.00 41.96 38.72 3jx3 s TYR 706 CO 0.05 -1.96 -0.08 1.14 -1.34 0.00 0.00 175.55 173.36 3jx3 s GLN 707 N -3.05 0.69 0.60 4.97 -2.07 -1.26 -4.77 119.66 114.78 3jx3 s GLN 707 Ca 0.71 -1.03 -0.19 0.00 -1.82 0.00 0.00 55.36 53.04 3jx3 s GLN 707 Cb -0.30 -0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 31.27 3jx3 s GLN 707 CO 0.35 0.04 1.21 -1.25 -1.32 0.00 0.00 175.29 174.31 3jx3 s PRO 708 N -2.56 2.95 0.34 9.60 0.04 -1.26 -4.93 135.00 139.17 3jx3 s PRO 708 Ca 0.00 1.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 3jx3 s PRO 708 Cb -0.04 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.46 3jx3 s PRO 708 CO -0.01 -1.23 1.48 -0.25 0.04 0.00 0.00 177.00 177.03 3jx3 n ASP 709 N -1.63 3.54 0.22 6.66 8.00 -1.26 -4.90 116.55 127.18 3jx3 n ASP 709 Ca 0.14 1.19 0.08 0.00 0.71 0.00 0.00 54.79 56.91 3jx3 n ASP 709 Cb 0.50 -1.57 0.53 0.00 -0.02 0.00 0.00 41.12 40.55 3jx3 n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3jx3 h PRO 710 N 3.50 0.00 0.00 -0.24 0.13 -1.91 -2.28 132.00 131.20 3jx3 h PRO 710 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3jx3 h PRO 710 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3jx3 h PRO 710 CO 0.69 0.24 0.00 0.11 -0.23 0.00 0.00 178.00 178.81 3jx3 h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.95 0.22 115.95 115.87 3jx3 h TRP 711 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.89 58.89 3jx3 h TRP 711 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.74 3jx3 h TRP 711 CO 0.00 0.00 -0.43 -0.91 0.09 0.00 0.00 178.44 177.19 3jx3 h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.78 -3.38 115.58 112.88 3jx3 h ASN 712 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3jx3 h ASN 712 Cb 0.31 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 3jx3 h ASN 712 CO 0.00 0.43 -1.14 0.35 -1.65 0.00 0.00 177.43 175.42 3jx3 n THR 713 N -3.22 0.05 -1.71 2.81 -2.24 -0.56 -5.05 114.28 104.36 3jx3 n THR 713 Ca 0.02 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 3jx3 n THR 713 Cb 0.69 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 3jx3 n THR 713 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3jx3 n HIS 714 N -1.75 2.71 -2.66 4.78 -0.00 0.67 -4.96 115.22 114.01 3jx3 n HIS 714 Ca -0.02 -0.04 -0.43 0.00 -0.00 0.00 0.00 57.72 57.24 3jx3 n HIS 714 Cb 0.22 -2.70 -0.03 0.00 -0.00 0.00 0.00 29.99 27.49 3jx3 n HIS 714 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3jx3 s VAL 715 N 1.79 4.27 -0.02 3.57 1.01 -1.26 -5.02 120.40 124.74 3jx3 s VAL 715 Ca 0.78 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 63.51 3jx3 s VAL 715 Cb -0.49 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.28 3jx3 s VAL 715 CO 0.34 -0.99 1.22 0.26 0.00 0.00 0.00 175.10 175.93 3jx3 s TRP 716 N 4.29 3.22 -0.09 5.22 0.52 -1.26 -4.87 118.94 125.97 3jx3 s TRP 716 Ca 0.44 1.19 -0.02 0.00 0.02 0.00 0.00 56.10 57.73 3jx3 s TRP 716 Cb -0.08 -3.45 -0.26 0.00 -1.15 0.00 0.00 33.47 28.54 3jx3 s TRP 716 CO 0.30 -1.43 0.47 0.87 0.02 0.00 0.00 176.95 177.18 3jx3 h LYS 717 N 7.33 0.21 0.00 4.98 1.57 -1.95 -3.51 116.57 125.19 3jx3 h LYS 717 Ca -0.37 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 3jx3 h LYS 717 Cb 1.18 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3jx3 h LYS 717 CO 0.86 1.05 0.00 0.41 -0.57 0.00 0.00 179.45 181.21