#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx0 s PHE 300 N 0.00 3.52 -0.10 -0.14 0.40 -1.26 -4.80 117.98 115.61 3jx0 s PHE 300 Ca 0.00 0.73 0.01 0.00 -0.60 0.00 0.00 56.93 57.07 3jx0 s PHE 300 Cb 0.00 -2.37 -0.02 0.00 0.51 0.00 0.00 43.02 41.13 3jx0 s PHE 300 CO 0.00 0.30 -0.12 -0.51 0.70 0.00 0.00 175.22 175.59 3jx0 s LEU 301 N 0.22 2.82 -0.05 -0.37 1.43 -1.02 -4.94 118.68 116.78 3jx0 s LEU 301 Ca 0.20 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 3jx0 s LEU 301 Cb -0.14 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3jx0 s LEU 301 CO 0.07 0.25 0.21 -0.54 0.23 0.00 0.00 176.35 176.57 3jx0 s LYS 302 N -0.18 3.52 0.01 1.70 -0.14 -1.26 -0.20 119.74 123.20 3jx0 s LYS 302 Ca 0.00 -0.10 0.07 0.00 -1.36 0.00 0.00 55.97 54.58 3jx0 s LYS 302 Cb -0.13 -3.14 -0.02 0.00 -1.68 0.00 0.00 37.83 32.86 3jx0 s LYS 302 CO 0.03 0.71 -0.21 0.14 -0.76 0.00 0.00 175.35 175.27 3jx0 s VAL 303 N -1.17 1.65 -0.01 3.17 -7.23 -0.06 -4.97 120.40 111.77 3jx0 s VAL 303 Ca 0.22 -1.02 0.07 0.00 -1.81 0.00 0.00 61.98 59.44 3jx0 s VAL 303 Cb -0.13 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 3jx0 s VAL 303 CO 0.11 0.35 -0.23 -0.75 -0.31 0.00 0.00 175.10 174.27 3jx0 s LYS 304 N -0.79 1.88 -0.22 4.82 2.20 -1.26 -0.46 119.74 125.91 3jx0 s LYS 304 Ca 0.08 -0.85 -0.14 0.00 -0.36 0.00 0.00 55.97 54.70 3jx0 s LYS 304 Cb -0.08 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.36 3jx0 s LYS 304 CO 0.00 0.50 0.31 1.21 -0.36 0.00 0.00 175.35 177.01 3jx0 s ASN 305 N -0.59 6.31 0.00 1.43 3.84 -0.23 -1.66 114.94 124.02 3jx0 s ASN 305 Ca 0.09 0.35 0.29 0.00 0.21 0.00 0.00 52.86 53.80 3jx0 s ASN 305 Cb -0.09 -2.18 1.21 0.00 -0.55 0.00 0.00 41.25 39.64 3jx0 s ASN 305 CO -0.01 -0.03 1.84 0.79 -2.79 0.00 0.00 177.10 176.89 3jx0 n TRP 306 N 4.47 0.00 -0.11 0.43 7.02 -0.33 -1.06 117.44 127.86 3jx0 n TRP 306 Ca -0.11 -0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.23 3jx0 n TRP 306 Cb 0.51 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.26 3jx0 n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3jx0 n GLU 307 N -0.05 0.67 0.00 -0.99 2.13 -1.26 -4.63 120.64 116.50 3jx0 n GLU 307 Ca 0.20 0.08 0.05 0.00 0.66 0.00 0.00 57.16 58.15 3jx0 n GLU 307 Cb 0.31 -1.53 -0.04 0.00 0.27 0.00 0.00 31.44 30.44 3jx0 n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3jx0 n THR 308 N -3.02 0.00 -1.02 6.31 -2.24 -1.24 -5.00 114.28 108.07 3jx0 n THR 308 Ca -0.39 -0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 61.09 3jx0 n THR 308 Cb 1.07 1.02 -0.00 0.00 -2.10 0.00 0.00 70.33 70.32 3jx0 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jx0 n ASP 309 N -1.05 -5.58 -4.68 3.42 10.43 -0.22 -4.98 116.55 113.90 3jx0 n ASP 309 Ca 0.02 0.02 -0.42 0.00 2.57 0.00 0.00 54.79 56.98 3jx0 n ASP 309 Cb 0.16 -3.13 -0.03 0.00 1.84 0.00 0.00 41.12 39.96 3jx0 n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3jx0 s VAL 310 N -1.19 3.38 -0.15 2.53 1.01 -1.24 -4.78 120.40 119.95 3jx0 s VAL 310 Ca 0.00 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 3jx0 s VAL 310 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 3jx0 s VAL 310 CO 0.00 -0.02 -0.09 -0.69 0.00 0.00 0.00 175.10 174.30 3jx0 s VAL 311 N 3.04 3.30 0.21 2.92 1.01 -1.26 -1.07 120.40 128.55 3jx0 s VAL 311 Ca 0.71 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 62.24 3jx0 s VAL 311 Cb -0.36 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3jx0 s VAL 311 CO 0.30 0.50 -0.20 -0.76 0.00 0.00 0.00 175.10 174.94 3jx0 s LEU 312 N 0.58 2.59 -0.15 3.92 1.43 0.40 -4.95 118.68 122.49 3jx0 s LEU 312 Ca -0.06 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.22 3jx0 s LEU 312 Cb -0.15 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.81 3jx0 s LEU 312 CO 0.03 0.10 -0.20 -0.89 0.23 0.00 0.00 176.35 175.62 3jx0 s THR 313 N -1.85 2.23 -0.23 5.49 2.01 -1.26 -0.89 115.64 121.15 3jx0 s THR 313 Ca 0.24 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 61.25 3jx0 s THR 313 Cb -0.07 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 3jx0 s THR 313 CO 0.12 0.54 0.07 -0.62 -0.69 0.00 0.00 174.62 174.03 3jx0 s ASP 314 N 0.88 5.23 -0.01 3.53 -1.08 0.72 -4.62 116.67 121.32 3jx0 s ASP 314 Ca -0.05 -0.15 0.06 0.00 -0.52 0.00 0.00 52.55 51.90 3jx0 s ASP 314 Cb -0.15 -1.93 -0.09 0.00 -1.46 0.00 0.00 42.92 39.29 3jx0 s ASP 314 CO -0.03 0.01 0.17 0.35 0.52 0.00 0.00 175.17 176.19 3jx0 n THR 315 N 4.60 0.00 -0.04 1.71 -2.24 0.17 -2.43 114.28 116.05 3jx0 n THR 315 Ca -0.16 -0.19 0.02 0.00 -2.27 0.00 0.00 64.05 61.45 3jx0 n THR 315 Cb 0.52 0.51 0.35 0.00 -2.10 0.00 0.00 70.33 69.60 3jx0 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jx0 h LEU 316 N 0.00 0.56 -2.42 3.22 6.46 -1.20 -2.55 115.31 119.37 3jx0 h LEU 316 Ca 0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 3jx0 h LEU 316 Cb 0.25 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 3jx0 h LEU 316 CO 0.00 0.46 0.18 1.12 -0.62 0.00 0.00 178.44 179.59 3jx0 h HIS 317 N 0.63 0.00 0.00 1.25 2.07 -1.84 0.12 115.15 117.38 3jx0 h HIS 317 Ca 0.16 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.68 3jx0 h HIS 317 Cb 0.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.02 3jx0 h HIS 317 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 3jx0 h LEU 318 N 0.00 0.00 -0.61 6.12 3.38 -1.81 -2.34 115.31 120.05 3jx0 h LEU 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jx0 h LEU 318 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3jx0 h LEU 318 CO 0.00 0.00 -0.24 0.29 0.09 0.00 0.00 178.44 178.58 3jx0 n LYS 319 N -2.41 0.98 -2.28 1.13 4.76 0.42 -4.92 118.16 115.84 3jx0 n LYS 319 Ca 0.01 -0.61 -0.42 0.00 -2.87 0.00 0.00 58.31 54.43 3jx0 n LYS 319 Cb 0.22 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 3jx0 n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3jx0 s SER 320 N -2.43 6.94 -0.15 4.39 0.15 -0.88 -4.89 113.70 116.83 3jx0 s SER 320 Ca 0.25 2.21 -0.08 0.00 0.70 0.00 0.00 55.95 59.04 3jx0 s SER 320 Cb 0.19 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.85 3jx0 s SER 320 CO 0.50 -0.55 -0.20 0.41 1.20 0.00 0.00 173.24 174.60 3jx0 n THR 321 N 3.73 0.89 -0.68 6.45 -1.04 -1.24 -5.03 114.28 117.35 3jx0 n THR 321 Ca 0.10 -0.17 -0.30 0.00 -2.04 0.00 0.00 64.05 61.63 3jx0 n THR 321 Cb 0.44 -1.73 0.19 0.00 -1.82 0.00 0.00 70.33 67.41 3jx0 n THR 321 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3jx0 s LEU 322 N -6.89 2.17 0.04 -4.42 1.43 -1.26 -5.00 118.68 104.76 3jx0 s LEU 322 Ca -0.21 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 3jx0 s LEU 322 Cb 0.08 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 3jx0 s LEU 322 CO 0.27 -3.42 0.12 -1.61 0.23 0.00 0.00 176.35 171.93 3jx0 s GLU 323 N -4.61 3.11 0.15 1.70 2.02 -1.26 -4.66 118.70 115.14 3jx0 s GLU 323 Ca 0.67 -0.54 0.13 0.00 0.02 0.00 0.00 54.97 55.24 3jx0 s GLU 323 Cb -0.23 -2.87 -0.09 0.00 0.10 0.00 0.00 34.13 31.04 3jx0 s GLU 323 CO 0.60 0.61 1.17 1.79 0.02 0.00 0.00 175.26 179.45 3jx0 h THR 324 N 2.66 1.03 0.00 3.63 1.35 -1.96 -3.48 112.91 116.14 3jx0 h THR 324 Ca -0.47 -2.58 0.00 0.00 -0.55 0.00 0.00 66.41 62.81 3jx0 h THR 324 Cb 1.17 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 3jx0 h THR 324 CO 0.67 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 177.14 3jx0 n GLY 325 N 1.34 3.10 3.88 5.82 0.00 -1.26 -4.87 105.19 113.19 3jx0 n GLY 325 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3jx0 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx0 s THR 327 N -2.66 0.73 0.64 0.00 -4.23 0.72 -4.98 115.64 105.85 3jx0 s THR 327 Ca 0.51 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.35 3jx0 s THR 327 Cb -0.10 -2.61 0.36 0.00 1.34 0.00 0.00 72.50 71.48 3jx0 s THR 327 CO 0.40 0.00 2.06 -0.33 -0.54 0.00 0.00 174.62 176.21 3jx0 h GLU 328 N 2.14 0.00 0.00 3.99 3.07 -2.05 -2.76 114.58 118.97 3jx0 h GLU 328 Ca -0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 3jx0 h GLU 328 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 3jx0 h GLU 328 CO 0.61 0.00 -0.83 0.72 -1.40 0.00 0.00 179.01 178.11 3jx0 n HIS 329 N -3.27 0.00 -3.69 4.33 8.25 -1.26 -4.99 115.22 114.59 3jx0 n HIS 329 Ca -0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 3jx0 n HIS 329 Cb 0.33 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.28 3jx0 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jx0 s ILE 330 N -2.35 -0.01 -0.22 1.59 2.07 -1.04 -5.14 121.20 116.10 3jx0 s ILE 330 Ca 0.02 0.04 -0.08 0.00 -1.41 0.00 0.00 60.65 59.23 3jx0 s ILE 330 Cb 0.09 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.94 3jx0 s ILE 330 CO 0.51 0.02 0.09 0.00 -1.91 0.00 0.00 174.94 173.65 3jx0 n MET 332 N 4.28 2.91 0.08 0.00 0.00 -1.26 -4.74 117.12 118.40 3jx0 n MET 332 Ca -0.16 -3.05 0.20 0.00 0.00 0.00 0.00 57.70 54.68 3jx0 n MET 332 Cb 0.52 -2.03 0.74 0.00 0.00 0.00 0.00 33.22 32.46 3jx0 n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3jx0 h GLY 333 N 1.87 0.00 -2.19 3.03 0.00 -1.93 -1.18 103.07 102.67 3jx0 h GLY 333 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3jx0 h GLY 333 CO 0.57 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.97 3jx0 n SER 334 N -4.00 3.49 -4.71 0.19 3.41 -1.26 -4.83 113.62 105.91 3jx0 n SER 334 Ca 0.07 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.29 3jx0 n SER 334 Cb 0.54 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 3jx0 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jx0 s ILE 335 N -1.14 4.62 0.07 -1.33 -1.09 -0.45 -4.98 121.20 116.91 3jx0 s ILE 335 Ca 0.39 1.88 -0.22 0.00 -2.23 0.00 0.00 60.65 60.47 3jx0 s ILE 335 Cb 0.21 -4.21 -0.13 0.00 -1.58 0.00 0.00 42.46 36.75 3jx0 s ILE 335 CO 0.28 0.14 1.58 0.24 -1.23 0.00 0.00 174.94 175.95 3jx0 h MET 336 N 6.83 0.13 -2.98 2.79 2.86 -1.92 -3.37 114.93 119.28 3jx0 h MET 336 Ca -0.40 -0.03 -0.62 0.00 -2.06 0.00 0.00 59.70 56.59 3jx0 h MET 336 Cb 1.21 -0.02 -0.41 0.00 0.06 0.00 0.00 31.60 32.45 3jx0 h MET 336 CO 0.78 0.27 -0.70 -1.17 1.06 0.00 0.00 176.91 177.15 3jx0 s LEU 337 N -9.81 3.54 -0.00 1.22 2.96 -1.26 -5.16 118.68 110.17 3jx0 s LEU 337 Ca -0.14 -3.23 0.00 0.00 -0.22 0.00 0.00 54.13 50.55 3jx0 s LEU 337 Cb 0.06 -1.26 0.00 0.00 0.50 0.00 0.00 46.19 45.49 3jx0 s LEU 337 CO 0.69 -0.18 0.78 -0.81 -1.32 0.00 0.00 176.35 175.51 3jx0 n PRO 338 N 2.76 1.01 -1.86 0.98 -0.04 -1.26 -5.19 135.00 131.40 3jx0 n PRO 338 Ca 0.16 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3jx0 n PRO 338 Cb 0.36 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 3jx0 n PRO 338 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3jx0 n VAL 348 N -0.27 -0.78 -4.02 0.52 3.14 -1.26 -4.95 118.33 110.70 3jx0 n VAL 348 Ca 0.00 0.11 -0.30 0.00 -2.96 0.00 0.00 64.34 61.19 3jx0 n VAL 348 Cb 0.11 -1.53 -0.06 0.00 -1.06 0.00 0.00 33.84 31.31 3jx0 n VAL 348 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3jx0 s ARG 349 N -0.22 3.04 0.46 1.45 0.52 -1.26 -5.11 118.95 117.83 3jx0 s ARG 349 Ca 0.00 -0.65 -0.21 0.00 -0.52 0.00 0.00 55.73 54.35 3jx0 s ARG 349 Cb 0.00 -2.80 -0.10 0.00 0.52 0.00 0.00 34.95 32.57 3jx0 s ARG 349 CO 0.00 0.56 1.00 0.99 0.02 0.00 0.00 175.30 177.87 3jx0 s THR 350 N -1.48 4.05 0.33 0.02 2.01 -1.26 -4.96 115.64 114.34 3jx0 s THR 350 Ca 0.31 1.29 0.00 0.00 0.31 0.00 0.00 61.69 63.60 3jx0 s THR 350 Cb -0.12 -3.53 0.26 0.00 0.01 0.00 0.00 72.50 69.12 3jx0 s THR 350 CO 0.24 -0.26 1.99 0.11 -0.69 0.00 0.00 174.62 176.01 3jx0 h LYS 351 N 1.75 0.94 -0.41 4.92 1.57 -1.96 -2.40 116.57 120.98 3jx0 h LYS 351 Ca -0.49 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.27 3jx0 h LYS 351 Cb 1.20 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 3jx0 h LYS 351 CO 0.60 0.63 -0.27 0.22 -0.57 0.00 0.00 179.45 180.06 3jx0 h ASP 352 N 0.97 -0.97 1.42 0.86 -0.00 -1.98 -2.79 116.42 113.93 3jx0 h ASP 352 Ca 0.26 0.15 0.00 0.00 -0.00 0.00 0.00 57.03 57.44 3jx0 h ASP 352 Cb -0.11 0.43 0.00 0.00 -0.00 0.00 0.00 39.33 39.65 3jx0 h ASP 352 CO -0.06 -0.12 0.00 0.06 -0.00 0.00 0.00 179.24 179.12 3jx0 h GLN 353 N -0.03 0.00 -0.06 0.28 3.07 -1.92 -3.37 115.11 113.08 3jx0 h GLN 353 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.69 3jx0 h GLN 353 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.77 3jx0 h GLN 353 CO -0.41 0.00 -0.41 1.25 0.09 0.00 0.00 178.83 179.36 3jx0 h LEU 354 N 0.00 0.46 -0.65 0.06 5.85 -1.15 -3.18 115.31 116.71 3jx0 h LEU 354 Ca 0.00 -0.67 -0.00 0.00 0.84 0.00 0.00 57.88 58.04 3jx0 h LEU 354 Cb 0.71 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3jx0 h LEU 354 CO 0.00 1.06 0.40 0.15 -0.34 0.00 0.00 178.44 179.72 3jx0 h PHE 355 N -0.11 0.85 -0.65 1.25 3.57 -1.71 0.16 116.94 120.30 3jx0 h PHE 355 Ca -0.03 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.59 3jx0 h PHE 355 Cb 1.07 -0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.45 3jx0 h PHE 355 CO 0.13 0.56 0.20 -1.35 -2.23 0.00 0.00 178.31 175.62 3jx0 h PRO 356 N 0.88 0.34 -0.60 6.41 0.11 -1.79 0.27 132.00 137.63 3jx0 h PRO 356 Ca 0.24 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.27 3jx0 h PRO 356 Cb -0.05 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 3jx0 h PRO 356 CO -0.05 0.22 0.14 -0.07 -0.21 0.00 0.00 178.00 178.04 3jx0 h LEU 357 N 0.35 0.91 0.27 2.35 3.38 -1.39 -0.48 115.31 120.68 3jx0 h LEU 357 Ca 0.34 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3jx0 h LEU 357 Cb 0.50 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3jx0 h LEU 357 CO -0.38 0.91 -0.18 0.00 0.09 0.00 0.00 178.44 178.87 3jx0 h ALA 358 N 1.03 -0.43 -0.43 1.53 0.00 -0.50 -2.50 119.26 117.96 3jx0 h ALA 358 Ca 0.19 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3jx0 h ALA 358 Cb 0.36 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 3jx0 h ALA 358 CO 0.00 -0.75 -0.01 -0.22 0.00 0.00 0.00 179.25 178.26 3jx0 h LYS 359 N -0.44 0.09 0.22 0.00 3.64 -0.29 0.47 116.57 120.26 3jx0 h LYS 359 Ca -0.02 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3jx0 h LYS 359 Cb 0.38 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3jx0 h LYS 359 CO 0.01 0.06 -0.24 0.93 -2.27 0.00 0.00 179.45 177.94 3jx0 h GLU 360 N 0.09 -0.49 -0.09 1.90 5.08 -1.07 0.16 114.58 120.17 3jx0 h GLU 360 Ca 0.21 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 3jx0 h GLU 360 Cb 0.31 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 3jx0 h GLU 360 CO -0.37 -0.32 -0.24 0.35 -1.00 0.00 0.00 179.01 177.42 3jx0 h PHE 361 N -0.51 -0.65 -0.40 4.33 3.57 -1.09 -0.68 116.94 121.51 3jx0 h PHE 361 Ca 0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3jx0 h PHE 361 Cb 0.48 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3jx0 h PHE 361 CO -0.18 -0.33 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.51 3jx0 h LEU 362 N -0.33 0.60 -0.27 0.59 3.38 -0.73 0.56 115.31 119.11 3jx0 h LEU 362 Ca 0.09 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3jx0 h LEU 362 Cb 0.46 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3jx0 h LEU 362 CO -0.28 0.67 0.13 0.44 0.09 0.00 0.00 178.44 179.49 3jx0 h ASP 363 N 0.60 0.19 0.05 -0.43 3.32 -0.28 -0.25 116.42 119.61 3jx0 h ASP 363 Ca 0.12 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.20 3jx0 h ASP 363 Cb 0.38 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3jx0 h ASP 363 CO 0.01 0.14 -0.14 1.56 -1.72 0.00 0.00 179.24 179.10 3jx0 h GLN 364 N 0.27 -0.25 0.19 3.56 4.20 -0.05 -1.21 115.11 121.83 3jx0 h GLN 364 Ca 0.11 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.84 3jx0 h GLN 364 Cb 0.04 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3jx0 h GLN 364 CO -0.08 -0.16 -0.23 -0.92 -0.67 0.00 0.00 178.83 176.76 3jx0 h TYR 365 N -0.26 -0.62 0.00 2.96 3.20 -0.73 -0.41 116.97 121.12 3jx0 h TYR 365 Ca 0.03 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 3jx0 h TYR 365 Cb 0.29 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3jx0 h TYR 365 CO -0.17 -0.34 -0.22 1.88 -1.64 0.00 0.00 178.16 177.68 3jx0 h TYR 366 N -0.48 0.00 -0.50 -3.82 -1.99 -0.99 -1.50 116.97 107.69 3jx0 h TYR 366 Ca 0.01 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.61 3jx0 h TYR 366 Cb 0.46 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.18 3jx0 h TYR 366 CO -0.18 0.22 -0.18 1.03 -0.00 0.00 0.00 178.16 179.05 3jx0 h SER 367 N 0.00 1.02 -0.05 3.88 0.87 -0.56 0.39 113.55 119.10 3jx0 h SER 367 Ca -0.00 -0.38 -0.08 0.00 -1.23 0.00 0.00 61.79 60.09 3jx0 h SER 367 Cb 0.42 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3jx0 h SER 367 CO 0.03 1.17 -0.20 0.77 -0.53 0.00 0.00 176.83 178.07 3jx0 h SER 368 N 0.86 0.43 -0.29 6.23 4.64 -0.09 -2.06 113.55 123.27 3jx0 h SER 368 Ca 0.12 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3jx0 h SER 368 Cb 0.76 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3jx0 h SER 368 CO 0.06 0.64 0.00 2.30 -0.87 0.00 0.00 176.83 178.96 3jx0 n ILE 369 N -4.16 0.53 -3.64 0.95 -5.35 -0.84 -4.93 119.36 101.93 3jx0 n ILE 369 Ca -0.00 -0.43 -0.23 0.00 -0.27 0.00 0.00 62.75 61.82 3jx0 n ILE 369 Cb 0.36 0.09 0.06 0.00 -1.74 0.00 0.00 39.64 38.42 3jx0 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jx0 n LYS 370 N 0.36 -6.66 -0.99 6.28 4.76 -0.77 -4.92 118.16 116.23 3jx0 n LYS 370 Ca 0.10 0.75 0.04 0.00 -2.87 0.00 0.00 58.31 56.34 3jx0 n LYS 370 Cb 0.32 -5.69 0.07 0.00 -1.84 0.00 0.00 35.03 27.89 3jx0 n LYS 370 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3jx0 n ARG 371 N -4.60 0.45 -1.97 1.97 5.12 0.13 -5.02 116.66 112.74 3jx0 n ARG 371 Ca -0.11 -2.13 -0.42 0.00 -1.93 0.00 0.00 57.85 53.26 3jx0 n ARG 371 Cb 0.60 -0.57 -0.03 0.00 -1.16 0.00 0.00 32.46 31.30 3jx0 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3jx0 s PHE 372 N -0.93 2.57 0.00 -1.55 5.36 -0.99 -1.95 117.98 120.49 3jx0 s PHE 372 Ca 0.28 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.68 3jx0 s PHE 372 Cb 0.30 -3.92 0.00 0.00 -0.34 0.00 0.00 43.02 39.06 3jx0 s PHE 372 CO -0.10 -3.62 0.00 0.41 -1.46 0.00 0.00 175.22 170.45 3jx0 n GLY 373 N 3.91 0.46 3.78 13.12 0.00 -1.26 -5.01 105.19 120.18 3jx0 n GLY 373 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3jx0 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx0 s SER 374 N -2.03 3.86 0.19 1.61 1.04 -0.82 -4.80 113.70 112.75 3jx0 s SER 374 Ca 0.00 1.20 -0.11 0.00 0.48 0.00 0.00 55.95 57.52 3jx0 s SER 374 Cb 0.00 -1.87 0.16 0.00 0.10 0.00 0.00 66.02 64.41 3jx0 s SER 374 CO 0.00 -2.36 1.82 0.50 0.98 0.00 0.00 173.24 174.18 3jx0 h LYS 375 N -1.36 0.66 -0.20 4.02 3.64 -1.96 0.11 116.57 121.48 3jx0 h LYS 375 Ca -0.49 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 3jx0 h LYS 375 Cb 1.30 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3jx0 h LYS 375 CO 0.59 0.44 -0.10 0.00 -2.27 0.00 0.00 179.45 178.11 3jx0 h ALA 376 N 1.28 1.45 0.17 5.00 0.00 -1.93 0.11 119.26 125.35 3jx0 h ALA 376 Ca 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3jx0 h ALA 376 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3jx0 h ALA 376 CO -0.13 0.38 -0.08 1.25 0.00 0.00 0.00 179.25 180.67 3jx0 h HIS 377 N 0.31 -0.21 -0.68 0.00 -0.00 -1.62 -2.44 115.15 110.50 3jx0 h HIS 377 Ca 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 3jx0 h HIS 377 Cb 0.37 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.82 3jx0 h HIS 377 CO 0.01 0.13 0.43 0.52 -0.00 0.00 0.00 177.93 179.02 3jx0 h MET 378 N -0.57 0.91 -0.71 5.26 2.07 -0.36 -2.06 114.93 119.47 3jx0 h MET 378 Ca -0.02 -0.07 -0.04 0.00 -2.07 0.00 0.00 59.70 57.50 3jx0 h MET 378 Cb 0.43 -0.20 -0.03 0.00 -1.87 0.00 0.00 31.60 29.93 3jx0 h MET 378 CO 0.04 0.63 0.27 -0.44 1.07 0.00 0.00 176.91 178.48 3jx0 h ASP 379 N 0.93 0.96 -0.31 1.22 3.32 -0.86 -1.06 116.42 120.62 3jx0 h ASP 379 Ca 0.25 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 3jx0 h ASP 379 Cb -0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3jx0 h ASP 379 CO -0.05 0.86 -0.25 -0.09 -1.72 0.00 0.00 179.24 178.00 3jx0 h ARG 380 N 1.02 0.71 -0.34 3.56 9.65 -1.12 0.21 114.38 128.06 3jx0 h ARG 380 Ca 0.24 -0.35 0.06 0.00 -1.10 0.00 0.00 59.98 58.83 3jx0 h ARG 380 Cb 0.21 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.73 3jx0 h ARG 380 CO -0.02 0.96 -0.03 -0.07 2.80 0.00 0.00 179.97 183.61 3jx0 h LEU 381 N 0.46 -0.21 0.23 3.80 3.38 -1.24 0.24 115.31 121.97 3jx0 h LEU 381 Ca 0.06 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3jx0 h LEU 381 Cb 0.80 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3jx0 h LEU 381 CO 0.06 -0.06 -0.24 -0.08 0.09 0.00 0.00 178.44 178.21 3jx0 h GLU 382 N 0.06 -0.49 -0.77 1.13 4.57 -0.90 0.67 114.58 118.85 3jx0 h GLU 382 Ca 0.17 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.42 3jx0 h GLU 382 Cb 0.24 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.89 3jx0 h GLU 382 CO -0.31 -0.33 0.48 1.49 -1.18 0.00 0.00 179.01 179.17 3jx0 h GLU 383 N -0.51 0.90 -0.45 1.92 4.81 -0.39 -1.45 114.58 119.42 3jx0 h GLU 383 Ca -0.00 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3jx0 h GLU 383 Cb 0.48 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3jx0 h GLU 383 CO -0.07 0.60 0.08 0.28 -0.73 0.00 0.00 179.01 179.18 3jx0 h VAL 384 N 0.93 1.24 -0.08 0.32 2.07 -0.28 -1.55 116.25 118.91 3jx0 h VAL 384 Ca 0.31 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3jx0 h VAL 384 Cb 0.05 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3jx0 h VAL 384 CO -0.12 0.31 -0.37 -1.13 0.02 0.00 0.00 177.57 176.28 3jx0 h ASN 385 N 0.61 -1.13 -0.76 0.57 -1.24 -0.33 -1.25 115.58 112.05 3jx0 h ASN 385 Ca 0.14 0.15 0.02 0.00 0.71 0.00 0.00 56.30 57.32 3jx0 h ASN 385 Cb 0.37 0.46 -0.04 0.00 0.73 0.00 0.00 38.32 39.84 3jx0 h ASN 385 CO 0.01 -0.40 0.50 0.11 -1.29 0.00 0.00 177.43 176.35 3jx0 h LYS 386 N -0.47 0.97 -0.54 6.67 1.57 -1.23 -1.65 116.57 121.89 3jx0 h LYS 386 Ca 0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3jx0 h LYS 386 Cb 0.59 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 3jx0 h LYS 386 CO -0.34 0.64 0.28 1.49 -0.57 0.00 0.00 179.45 180.95 3jx0 h GLU 387 N 1.00 0.77 -0.62 3.15 4.81 -1.05 0.44 114.58 123.08 3jx0 h GLU 387 Ca 0.29 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3jx0 h GLU 387 Cb -0.07 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 3jx0 h GLU 387 CO -0.08 0.61 0.40 0.82 -0.73 0.00 0.00 179.01 180.03 3jx0 h ILE 388 N 0.73 1.16 -0.18 2.32 2.04 -0.70 0.49 117.51 123.37 3jx0 h ILE 388 Ca 0.19 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3jx0 h ILE 388 Cb 0.08 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3jx0 h ILE 388 CO -0.03 0.16 -0.03 -0.08 0.00 0.00 0.00 178.15 178.17 3jx0 h GLU 389 N 0.83 0.34 -0.27 2.37 4.57 -1.00 0.74 114.58 122.16 3jx0 h GLU 389 Ca 0.22 -0.12 -0.18 0.00 -1.18 0.00 0.00 59.36 58.11 3jx0 h GLU 389 Cb -0.08 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3jx0 h GLU 389 CO -0.05 0.59 -0.52 1.03 -1.18 0.00 0.00 179.01 178.88 3jx0 h SER 390 N 0.05 0.92 0.00 1.04 0.87 -0.80 -3.39 113.55 112.25 3jx0 h SER 390 Ca 0.05 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 3jx0 h SER 390 Cb 0.46 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3jx0 h SER 390 CO 0.02 1.28 -0.68 0.35 -0.53 0.00 0.00 176.83 177.27 3jx0 n THR 391 N -4.06 0.00 -0.13 2.23 -2.24 0.17 -5.03 114.28 105.22 3jx0 n THR 391 Ca -0.05 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3jx0 n THR 391 Cb 0.61 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3jx0 n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3jx0 n SER 392 N -1.35 0.00 -0.63 3.42 7.64 0.26 -4.96 113.62 117.99 3jx0 n SER 392 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3jx0 n SER 392 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3jx0 n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3jx0 n THR 393 N -2.00 0.00 -3.70 0.44 5.66 -1.26 -4.75 114.28 108.67 3jx0 n THR 393 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 3jx0 n THR 393 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 3jx0 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jx0 s TYR 394 N -1.57 -0.15 -0.16 1.09 -0.85 -1.26 -2.89 117.35 111.56 3jx0 s TYR 394 Ca 0.00 -0.18 -0.06 0.00 -0.52 0.00 0.00 57.07 56.31 3jx0 s TYR 394 Cb 0.00 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.68 3jx0 s TYR 394 CO 0.00 -0.88 0.05 -0.65 -1.52 0.00 0.00 175.55 172.56 3jx0 s GLN 395 N -3.86 3.74 0.35 -3.49 -1.52 -1.26 -5.05 119.66 108.58 3jx0 s GLN 395 Ca 0.08 -0.34 -0.26 0.00 -1.95 0.00 0.00 55.36 52.89 3jx0 s GLN 395 Cb -0.00 -3.12 -0.09 0.00 -0.22 0.00 0.00 33.01 29.57 3jx0 s GLN 395 CO -0.05 0.40 1.04 -0.51 -0.25 0.00 0.00 175.29 175.92 3jx0 s LEU 396 N 0.01 4.29 0.69 2.90 1.43 -1.26 -5.05 118.68 121.69 3jx0 s LEU 396 Ca 0.05 2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 55.07 3jx0 s LEU 396 Cb -0.12 -4.00 0.02 0.00 0.03 0.00 0.00 46.19 42.11 3jx0 s LEU 396 CO 0.01 -0.31 1.10 -0.54 0.23 0.00 0.00 176.35 176.84 3jx0 s LYS 397 N -2.12 2.66 0.21 1.70 -0.14 -1.26 -4.83 119.74 115.95 3jx0 s LYS 397 Ca 0.53 1.28 -0.10 0.00 -1.36 0.00 0.00 55.97 56.32 3jx0 s LYS 397 Cb -0.24 -1.94 0.30 0.00 -1.68 0.00 0.00 37.83 34.27 3jx0 s LYS 397 CO 0.30 -1.35 1.69 -0.44 -0.76 0.00 0.00 175.35 174.79 3jx0 h ASP 398 N -0.37 -0.10 -0.93 2.83 5.19 -1.99 -0.44 116.42 120.61 3jx0 h ASP 398 Ca -0.46 0.13 0.07 0.00 -0.62 0.00 0.00 57.03 56.15 3jx0 h ASP 398 Cb 1.24 0.20 -0.07 0.00 0.18 0.00 0.00 39.33 40.88 3jx0 h ASP 398 CO 0.53 -0.04 0.59 0.71 -3.12 0.00 0.00 179.24 177.91 3jx0 h THR 399 N 0.20 1.04 -0.01 0.35 1.35 -2.00 -2.25 112.91 111.59 3jx0 h THR 399 Ca 0.32 -0.36 -0.19 0.00 -0.55 0.00 0.00 66.41 65.64 3jx0 h THR 399 Cb 0.50 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.81 3jx0 h THR 399 CO -0.45 0.19 -0.82 -0.33 -0.25 0.00 0.00 175.52 173.86 3jx0 h GLU 400 N 1.05 0.21 -0.26 4.72 5.08 -1.60 -1.92 114.58 121.86 3jx0 h GLU 400 Ca 0.41 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 3jx0 h GLU 400 Cb 0.21 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3jx0 h GLU 400 CO -0.19 0.91 0.01 1.25 -1.00 0.00 0.00 179.01 180.00 3jx0 h LEU 401 N 0.12 0.44 -0.04 1.33 5.85 -0.73 0.73 115.31 123.00 3jx0 h LEU 401 Ca -0.04 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 3jx0 h LEU 401 Cb 1.42 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 3jx0 h LEU 401 CO 0.13 0.63 0.01 0.40 -0.34 0.00 0.00 178.44 179.26 3jx0 h ILE 402 N 0.24 1.21 -0.31 4.05 2.04 -1.38 0.24 117.51 123.60 3jx0 h ILE 402 Ca 0.08 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.35 3jx0 h ILE 402 Cb 0.39 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 3jx0 h ILE 402 CO 0.01 0.17 -0.02 0.22 0.00 0.00 0.00 178.15 178.53 3jx0 h TYR 403 N -0.18 -0.05 -0.22 1.37 3.20 -1.38 -1.53 116.97 118.17 3jx0 h TYR 403 Ca 0.01 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.95 3jx0 h TYR 403 Cb 0.27 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 3jx0 h TYR 403 CO 0.01 -0.07 -0.05 0.78 -1.64 0.00 0.00 178.16 177.19 3jx0 h GLY 404 N 0.07 0.16 0.92 1.82 0.00 -0.58 -1.37 103.07 104.09 3jx0 h GLY 404 Ca 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 3jx0 h GLY 404 CO -0.27 -0.08 0.12 0.00 0.00 0.00 0.00 176.54 176.31 3jx0 h ALA 405 N 1.22 0.38 -0.99 3.60 0.00 -0.78 -0.56 119.26 122.13 3jx0 h ALA 405 Ca 0.11 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3jx0 h ALA 405 Cb 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3jx0 h ALA 405 CO -0.22 -0.03 0.65 0.87 0.00 0.00 0.00 179.25 180.51 3jx0 h LYS 406 N 0.33 1.19 -0.14 0.00 1.57 -1.24 -2.79 116.57 115.49 3jx0 h LYS 406 Ca 0.10 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 3jx0 h LYS 406 Cb 0.17 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3jx0 h LYS 406 CO -0.01 0.79 -0.63 0.45 -0.57 0.00 0.00 179.45 179.48 3jx0 h HIS 407 N 1.23 0.68 -0.94 -1.35 3.86 -0.69 -0.91 115.15 117.02 3jx0 h HIS 407 Ca 0.40 -0.26 0.13 0.00 -1.16 0.00 0.00 60.37 59.47 3jx0 h HIS 407 Cb 0.04 -0.12 -0.09 0.00 1.06 0.00 0.00 27.41 28.30 3jx0 h HIS 407 CO -0.00 1.01 0.56 0.00 0.86 0.00 0.00 177.93 180.37 3jx0 h ALA 408 N 0.92 1.42 0.06 2.45 0.00 -0.99 0.32 119.26 123.44 3jx0 h ALA 408 Ca -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3jx0 h ALA 408 Cb 1.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3jx0 h ALA 408 CO 0.12 0.12 -0.03 2.35 0.00 0.00 0.00 179.25 181.81 3jx0 h TRP 409 N 0.87 -0.07 -0.62 0.00 7.01 -1.20 -2.62 115.95 119.32 3jx0 h TRP 409 Ca 0.48 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.63 3jx0 h TRP 409 Cb 0.53 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.58 3jx0 h TRP 409 CO -0.03 0.29 0.43 -0.09 -2.79 0.00 0.00 178.44 176.26 3jx0 h ARG 410 N -0.44 0.17 -0.00 2.65 2.43 -0.43 -0.92 114.38 117.82 3jx0 h ARG 410 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3jx0 h ARG 410 Cb 0.39 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3jx0 h ARG 410 CO 0.01 0.11 -0.24 0.09 -1.51 0.00 0.00 179.97 178.43 3jx0 n ASN 411 N -4.42 0.74 -4.56 -3.80 3.02 0.11 -4.87 115.26 101.48 3jx0 n ASN 411 Ca 0.12 -0.64 -0.41 0.00 -0.03 0.00 0.00 54.58 53.62 3jx0 n ASN 411 Cb 0.58 0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.78 3jx0 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jx0 s ALA 412 N -2.59 2.66 0.43 5.41 0.00 -0.35 -4.67 121.76 122.64 3jx0 s ALA 412 Ca 0.23 -1.02 0.12 0.00 0.00 0.00 0.00 51.96 51.30 3jx0 s ALA 412 Cb 0.19 -4.22 0.99 0.00 0.00 0.00 0.00 23.12 20.08 3jx0 s ALA 412 CO 0.53 -3.30 1.99 0.77 0.00 0.00 0.00 175.76 175.76 3jx0 h SER 413 N 11.29 0.40 -0.01 0.00 0.02 -1.89 -2.14 113.55 121.21 3jx0 h SER 413 Ca -0.27 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3jx0 h SER 413 Cb 1.08 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3jx0 h SER 413 CO 1.24 0.25 0.00 0.54 -1.14 0.00 0.00 176.83 177.72 3jx0 n ARG 414 N -4.47 1.59 -3.34 3.45 1.74 -1.26 -0.64 116.66 113.72 3jx0 n ARG 414 Ca 0.09 -0.85 -0.41 0.00 -0.77 0.00 0.00 57.85 55.90 3jx0 n ARG 414 Cb 0.31 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.18 3jx0 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx0 n VAL 416 N 5.31 0.50 0.57 0.00 3.14 -1.26 -3.79 118.33 122.80 3jx0 n VAL 416 Ca -0.08 -0.16 0.06 0.00 -2.96 0.00 0.00 64.34 61.20 3jx0 n VAL 416 Cb 0.49 -0.63 0.19 0.00 -1.06 0.00 0.00 33.84 32.82 3jx0 n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jx0 n GLY 417 N 1.19 1.16 0.00 7.55 0.00 -1.26 -4.51 105.19 109.32 3jx0 n GLY 417 Ca 0.05 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.69 3jx0 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx0 n ARG 418 N 0.62 0.00 -0.01 1.61 1.74 -1.25 -2.64 116.66 116.74 3jx0 n ARG 418 Ca 0.14 0.26 0.23 0.00 -0.77 0.00 0.00 57.85 57.71 3jx0 n ARG 418 Cb 0.42 -1.50 0.72 0.00 -1.02 0.00 0.00 32.46 31.08 3jx0 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jx0 h ILE 419 N 0.00 0.40 -0.01 0.55 2.10 -1.90 -0.25 117.51 118.41 3jx0 h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jx0 h ILE 419 Cb 0.24 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 36.55 3jx0 h ILE 419 CO 0.00 0.00 -0.02 0.00 -1.08 0.00 0.00 178.15 177.05 3jx0 n GLN 420 N -3.85 1.47 -0.30 2.19 1.13 -1.08 -4.65 117.38 112.30 3jx0 n GLN 420 Ca 0.12 -0.76 0.19 0.00 -1.94 0.00 0.00 57.00 54.61 3jx0 n GLN 420 Cb 0.78 -1.48 0.47 0.00 0.11 0.00 0.00 30.24 30.12 3jx0 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jx0 h TRP 421 N 1.85 0.70 -0.00 1.08 5.08 -1.26 0.32 115.95 123.71 3jx0 h TRP 421 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3jx0 h TRP 421 Cb 0.42 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 26.37 3jx0 h TRP 421 CO 0.00 0.13 -0.04 -1.13 -1.28 0.00 0.00 178.44 176.12 3jx0 n SER 422 N -4.60 0.04 -4.23 0.11 3.41 -1.26 -4.26 113.62 102.83 3jx0 n SER 422 Ca 0.22 0.40 -0.42 0.00 -0.26 0.00 0.00 58.87 58.81 3jx0 n SER 422 Cb 0.74 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.21 3jx0 n SER 422 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3jx0 s LYS 423 N -2.98 3.23 -0.08 4.33 1.02 0.10 -4.99 119.74 120.37 3jx0 s LYS 423 Ca 0.15 -2.59 -0.03 0.00 0.02 0.00 0.00 55.97 53.51 3jx0 s LYS 423 Cb 0.19 -4.15 0.05 0.00 -0.52 0.00 0.00 37.83 33.40 3jx0 s LYS 423 CO 0.54 -1.24 0.17 -1.17 -0.92 0.00 0.00 175.35 172.73 3jx0 s LEU 424 N -0.10 0.16 -0.18 3.17 2.96 -1.26 -4.69 118.68 118.73 3jx0 s LEU 424 Ca 0.19 0.36 -0.25 0.00 -0.22 0.00 0.00 54.13 54.20 3jx0 s LEU 424 Cb -0.14 0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.90 3jx0 s LEU 424 CO -0.07 -0.21 0.84 -1.58 -1.32 0.00 0.00 176.35 174.01 3jx0 s GLN 425 N 1.92 4.28 -0.24 1.98 2.00 -0.81 -4.98 119.66 123.82 3jx0 s GLN 425 Ca -0.01 1.02 -0.07 0.00 -2.00 0.00 0.00 55.36 54.29 3jx0 s GLN 425 Cb -0.12 -3.59 -0.03 0.00 0.80 0.00 0.00 33.01 30.07 3jx0 s GLN 425 CO -0.06 -0.37 0.07 0.08 -0.50 0.00 0.00 175.29 174.51 3jx0 s VAL 426 N 2.31 4.39 -0.27 1.34 1.01 -1.26 -1.13 120.40 126.78 3jx0 s VAL 426 Ca 0.38 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 3jx0 s VAL 426 Cb -0.16 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 3jx0 s VAL 426 CO 0.11 0.35 0.16 -0.36 0.00 0.00 0.00 175.10 175.36 3jx0 s PHE 427 N 1.46 3.18 -0.59 5.22 0.08 0.90 -4.98 117.98 123.25 3jx0 s PHE 427 Ca 0.06 -0.05 -0.25 0.00 0.12 0.00 0.00 56.93 56.81 3jx0 s PHE 427 Cb -0.15 -2.34 0.04 0.00 -0.57 0.00 0.00 43.02 40.00 3jx0 s PHE 427 CO 0.04 -0.23 1.01 0.34 -0.10 0.00 0.00 175.22 176.28 3jx0 s ASP 428 N 1.72 6.31 -0.31 1.36 -1.08 -1.26 -0.56 116.67 122.84 3jx0 s ASP 428 Ca 0.07 -0.41 0.09 0.00 -0.52 0.00 0.00 52.55 51.78 3jx0 s ASP 428 Cb -0.16 -2.46 0.56 0.00 -1.46 0.00 0.00 42.92 39.40 3jx0 s ASP 428 CO 0.09 -1.36 1.57 0.00 0.52 0.00 0.00 175.17 175.99 3jx0 n ALA 429 N 7.82 4.36 0.54 3.66 0.00 0.15 -4.63 120.51 132.41 3jx0 n ALA 429 Ca 0.02 -2.90 0.10 0.00 0.00 0.00 0.00 53.44 50.66 3jx0 n ALA 429 Cb 0.47 -0.91 0.41 0.00 0.00 0.00 0.00 19.45 19.42 3jx0 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jx0 n ARG 430 N -0.95 0.07 -0.01 0.00 1.74 -1.06 -1.67 116.66 114.79 3jx0 n ARG 430 Ca 0.37 0.27 0.14 0.00 -0.77 0.00 0.00 57.85 57.85 3jx0 n ARG 430 Cb 1.16 -1.63 0.56 0.00 -1.02 0.00 0.00 32.46 31.53 3jx0 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jx0 n ASP 431 N -1.77 1.35 -4.76 0.55 5.68 -1.26 -4.54 116.55 111.81 3jx0 n ASP 431 Ca 0.04 -1.47 -0.41 0.00 -0.50 0.00 0.00 54.79 52.45 3jx0 n ASP 431 Cb 0.23 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.17 3jx0 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jx0 n THR 433 N 1.55 0.00 -4.14 0.00 -2.24 -1.26 -4.74 114.28 103.44 3jx0 n THR 433 Ca 0.02 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 3jx0 n THR 433 Cb 0.43 0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 3jx0 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jx0 s THR 434 N -1.26 0.14 0.28 4.28 -4.23 -1.26 -4.67 115.64 108.92 3jx0 s THR 434 Ca 0.00 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.62 3jx0 s THR 434 Cb 0.00 -1.96 0.09 0.00 1.34 0.00 0.00 72.50 71.97 3jx0 s THR 434 CO 0.00 -0.55 1.75 0.00 -0.54 0.00 0.00 174.62 175.28 3jx0 h ALA 435 N 2.90 1.13 -0.67 3.99 0.00 -1.89 0.17 119.26 124.90 3jx0 h ALA 435 Ca -0.35 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 3jx0 h ALA 435 Cb 1.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3jx0 h ALA 435 CO 0.60 0.54 0.17 0.45 0.00 0.00 0.00 179.25 181.02 3jx0 h HIS 436 N 0.55 1.12 -0.64 0.00 3.86 -1.96 -0.10 115.15 117.97 3jx0 h HIS 436 Ca 0.10 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3jx0 h HIS 436 Cb 0.55 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3jx0 h HIS 436 CO 0.02 0.91 0.32 0.78 0.86 0.00 0.00 177.93 180.83 3jx0 h GLY 437 N 1.00 0.95 0.85 2.45 0.00 -1.60 -2.28 103.07 104.45 3jx0 h GLY 437 Ca 0.21 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3jx0 h GLY 437 CO 0.00 0.42 0.01 -0.33 0.00 0.00 0.00 176.54 176.64 3jx0 h MET 438 N 0.89 0.43 -0.63 4.80 0.00 -0.20 -2.15 114.93 118.07 3jx0 h MET 438 Ca 0.22 -0.13 0.07 0.00 0.00 0.00 0.00 59.70 59.86 3jx0 h MET 438 Cb 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 31.60 31.57 3jx0 h MET 438 CO -0.03 0.59 0.33 0.35 0.00 0.00 0.00 176.91 178.14 3jx0 h PHE 439 N 0.22 0.59 -0.51 -0.22 3.04 -0.80 0.13 116.94 119.39 3jx0 h PHE 439 Ca 0.07 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 3jx0 h PHE 439 Cb 0.39 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 3jx0 h PHE 439 CO 0.03 0.26 0.22 -0.97 -2.02 0.00 0.00 178.31 175.83 3jx0 h ASN 440 N 0.60 0.68 -0.80 0.41 -1.24 -1.30 0.25 115.58 114.18 3jx0 h ASN 440 Ca 0.29 -0.15 0.02 0.00 0.71 0.00 0.00 56.30 57.18 3jx0 h ASN 440 Cb 0.23 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 3jx0 h ASN 440 CO -0.21 0.64 0.52 1.88 -1.29 0.00 0.00 177.43 178.97 3jx0 h TYR 441 N 0.67 0.98 -0.18 0.67 -1.99 -0.79 -2.24 116.97 114.08 3jx0 h TYR 441 Ca 0.17 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.87 3jx0 h TYR 441 Cb 0.15 -0.33 -0.00 0.00 2.00 0.00 0.00 36.73 38.55 3jx0 h TYR 441 CO -0.00 0.59 -0.12 0.82 -0.00 0.00 0.00 178.16 179.44 3jx0 h ILE 442 N 1.03 1.32 -0.86 -2.88 2.04 -0.37 -1.71 117.51 116.08 3jx0 h ILE 442 Ca 0.31 -1.22 0.12 0.00 1.00 0.00 0.00 64.86 65.06 3jx0 h ILE 442 Cb -0.05 1.72 -0.08 0.00 -0.74 0.00 0.00 36.82 37.67 3jx0 h ILE 442 CO -0.09 0.37 0.49 0.00 0.00 0.00 0.00 178.15 178.91 3jx0 h ASN 444 N 0.77 0.84 -0.12 0.00 2.35 -1.15 -0.92 115.58 117.35 3jx0 h ASN 444 Ca 0.43 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3jx0 h ASN 444 Cb 0.48 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3jx0 h ASN 444 CO -0.29 0.99 0.05 -0.74 -1.65 0.00 0.00 177.43 175.80 3jx0 h HIS 445 N 0.75 0.18 -0.88 1.19 -0.00 -0.73 -0.79 115.15 114.87 3jx0 h HIS 445 Ca 0.12 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.52 3jx0 h HIS 445 Cb 0.66 -0.05 -0.06 0.00 -0.00 0.00 0.00 27.41 27.96 3jx0 h HIS 445 CO 0.04 0.26 0.56 0.28 -0.00 0.00 0.00 177.93 179.06 3jx0 h VAL 446 N 0.05 1.11 -0.11 5.26 2.07 -0.37 0.28 116.25 124.54 3jx0 h VAL 446 Ca 0.04 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 3jx0 h VAL 446 Cb 0.15 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3jx0 h VAL 446 CO -0.00 0.19 -0.18 0.50 0.02 0.00 0.00 177.57 178.10 3jx0 h LYS 447 N 1.06 0.31 -0.13 1.57 3.64 -1.08 -0.97 116.57 120.98 3jx0 h LYS 447 Ca 0.36 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3jx0 h LYS 447 Cb 0.07 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3jx0 h LYS 447 CO -0.14 0.78 0.07 -0.92 -2.27 0.00 0.00 179.45 176.97 3jx0 h TYR 448 N -0.12 0.18 -0.51 1.91 3.20 -0.84 -1.73 116.97 119.06 3jx0 h TYR 448 Ca 0.01 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3jx0 h TYR 448 Cb 0.76 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 3jx0 h TYR 448 CO 0.10 0.19 0.22 0.00 -1.64 0.00 0.00 178.16 177.04 3jx0 h ALA 449 N 0.97 0.66 0.34 1.82 0.00 -0.46 -3.16 119.26 119.43 3jx0 h ALA 449 Ca 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3jx0 h ALA 449 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3jx0 h ALA 449 CO -0.01 0.24 -0.16 1.15 0.00 0.00 0.00 179.25 180.47 3jx0 h THR 450 N 0.68 0.67 -6.25 0.00 2.02 -1.14 0.45 112.91 109.34 3jx0 h THR 450 Ca 0.17 -0.02 -0.48 0.00 0.77 0.00 0.00 66.41 66.86 3jx0 h THR 450 Cb 0.16 0.67 -0.11 0.00 -1.74 0.00 0.00 68.15 67.13 3jx0 h THR 450 CO -0.02 0.00 -0.74 -3.20 0.37 0.00 0.00 175.52 171.94 3jx0 n ASN 451 N -5.28 -4.07 -2.33 4.18 4.05 -0.66 -1.10 115.26 110.04 3jx0 n ASN 451 Ca -0.10 -0.77 -0.20 0.00 0.45 0.00 0.00 54.58 53.96 3jx0 n ASN 451 Cb 0.20 -3.30 -0.02 0.00 1.23 0.00 0.00 39.78 37.90 3jx0 n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3jx0 n LYS 452 N -4.35 -1.71 0.00 1.20 5.02 -1.26 -2.54 118.16 114.52 3jx0 n LYS 452 Ca 0.04 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.33 3jx0 n LYS 452 Cb 0.52 -5.63 0.00 0.00 -0.02 0.00 0.00 35.03 29.90 3jx0 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jx0 n GLY 453 N -0.94 2.36 3.23 0.72 0.00 -0.26 -4.92 105.19 105.37 3jx0 n GLY 453 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 3jx0 n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jx0 n ASN 454 N 0.00 5.00 -4.72 1.61 4.05 -1.05 -0.71 115.26 119.44 3jx0 n ASN 454 Ca 0.00 -3.00 -0.42 0.00 0.45 0.00 0.00 54.58 51.61 3jx0 n ASN 454 Cb 0.00 -1.58 -0.01 0.00 1.23 0.00 0.00 39.78 39.42 3jx0 n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3jx0 n LEU 455 N 5.58 3.85 -4.14 1.20 4.32 -1.25 -4.58 117.00 121.98 3jx0 n LEU 455 Ca 0.41 1.20 -0.28 0.00 -0.02 0.00 0.00 56.01 57.32 3jx0 n LEU 455 Cb 0.41 -1.52 -0.16 0.00 -1.62 0.00 0.00 43.42 40.53 3jx0 n LEU 455 CO 0.73 -0.27 -0.51 -0.13 -1.22 0.00 0.00 177.39 175.99 3jx0 s ARG 456 N -1.55 2.16 0.32 3.23 0.52 0.15 -4.99 118.95 118.79 3jx0 s ARG 456 Ca 0.58 -0.65 -0.29 0.00 -0.52 0.00 0.00 55.73 54.84 3jx0 s ARG 456 Cb -0.55 -1.76 -0.11 0.00 0.52 0.00 0.00 34.95 33.05 3jx0 s ARG 456 CO 0.59 0.18 1.42 -1.12 0.02 0.00 0.00 175.30 176.39 3jx0 s SER 457 N 0.27 6.58 0.10 0.23 0.01 -1.26 -4.42 113.70 115.21 3jx0 s SER 457 Ca -0.11 2.82 -0.20 0.00 1.31 0.00 0.00 55.95 59.76 3jx0 s SER 457 Cb -0.15 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.49 3jx0 s SER 457 CO 0.04 -0.71 0.50 0.00 0.41 0.00 0.00 173.24 173.48 3jx0 s ALA 458 N -0.76 -1.25 -0.04 1.44 0.00 -0.86 -1.92 121.76 118.36 3jx0 s ALA 458 Ca 0.54 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.83 3jx0 s ALA 458 Cb -0.43 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.29 3jx0 s ALA 458 CO 0.53 -0.60 0.10 -1.50 0.00 0.00 0.00 175.76 174.29 3jx0 s ILE 459 N -3.15 -0.00 -0.13 0.00 2.07 -0.29 -1.15 121.20 118.55 3jx0 s ILE 459 Ca -0.01 0.01 -0.00 0.00 -1.41 0.00 0.00 60.65 59.23 3jx0 s ILE 459 Cb 0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 42.46 42.42 3jx0 s ILE 459 CO -0.07 0.00 -0.13 -0.89 -1.91 0.00 0.00 174.94 171.94 3jx0 s THR 460 N 0.11 3.06 -0.27 4.00 2.01 -0.45 -0.07 115.64 124.03 3jx0 s THR 460 Ca -0.00 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.35 3jx0 s THR 460 Cb -0.01 -2.29 0.06 0.00 0.01 0.00 0.00 72.50 70.26 3jx0 s THR 460 CO -0.00 0.52 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.74 3jx0 s ILE 461 N 0.41 2.46 0.75 1.82 1.01 0.27 -3.12 121.20 124.80 3jx0 s ILE 461 Ca -0.10 -1.53 -0.09 0.00 0.00 0.00 0.00 60.65 58.93 3jx0 s ILE 461 Cb -0.16 -2.43 0.07 0.00 0.01 0.00 0.00 42.46 39.96 3jx0 s ILE 461 CO 0.05 -0.04 1.08 -0.36 0.00 0.00 0.00 174.94 175.67 3jx0 s PHE 462 N 1.16 2.84 0.54 3.97 0.08 -0.87 0.34 117.98 126.05 3jx0 s PHE 462 Ca -0.07 0.52 -0.21 0.00 0.12 0.00 0.00 56.93 57.29 3jx0 s PHE 462 Cb -0.20 -3.33 -0.06 0.00 -0.57 0.00 0.00 43.02 38.86 3jx0 s PHE 462 CO -0.04 -1.59 1.12 -2.30 -0.10 0.00 0.00 175.22 172.31 3jx0 n PRO 463 N -3.09 1.29 -1.34 0.24 -0.02 -1.25 -4.72 135.00 126.11 3jx0 n PRO 463 Ca 0.08 0.48 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 3jx0 n PRO 463 Cb 0.61 -2.29 0.09 0.00 -0.02 0.00 0.00 33.50 31.88 3jx0 n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3jx0 s GLN 464 N -2.65 2.23 0.47 -0.52 -2.07 -1.26 -4.55 119.66 111.30 3jx0 s GLN 464 Ca 0.72 1.02 -0.24 0.00 -1.82 0.00 0.00 55.36 55.04 3jx0 s GLN 464 Cb -0.45 -1.90 -0.08 0.00 -1.09 0.00 0.00 33.01 29.49 3jx0 s GLN 464 CO 0.50 -1.62 1.25 -2.13 -1.32 0.00 0.00 175.29 171.97 3jx0 n ARG 465 N -3.49 1.76 0.00 9.60 0.63 0.18 -4.88 116.66 120.46 3jx0 n ARG 465 Ca 0.08 0.63 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 3jx0 n ARG 465 Cb 0.54 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 31.05 3jx0 n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jx0 n THR 466 N -0.54 0.00 0.25 5.15 -2.24 -1.26 -4.76 114.28 110.88 3jx0 n THR 466 Ca 0.08 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 3jx0 n THR 466 Cb 0.41 -0.30 0.24 0.00 -2.10 0.00 0.00 70.33 68.58 3jx0 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jx0 n ASP 467 N -0.45 3.49 0.00 3.42 5.68 -1.26 -4.56 116.55 122.86 3jx0 n ASP 467 Ca 0.00 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 3jx0 n ASP 467 Cb 0.00 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 3jx0 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jx0 n GLY 468 N 1.52 0.66 0.28 6.12 0.00 -1.26 -4.42 105.19 108.09 3jx0 n GLY 468 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 3jx0 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jx0 n LYS 469 N -2.24 1.93 -1.49 1.61 5.02 -1.26 -4.59 118.16 117.14 3jx0 n LYS 469 Ca 0.00 -0.66 -0.02 0.00 -2.02 0.00 0.00 58.31 55.61 3jx0 n LYS 469 Cb 0.03 -1.18 0.09 0.00 -0.02 0.00 0.00 35.03 33.95 3jx0 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jx0 n HIS 470 N -0.27 0.78 -2.06 2.13 8.25 -1.26 -4.35 115.22 118.44 3jx0 n HIS 470 Ca 0.05 -1.48 -0.40 0.00 -0.26 0.00 0.00 57.72 55.63 3jx0 n HIS 470 Cb 0.27 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 3jx0 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jx0 s ASP 471 N -3.07 6.53 -0.09 0.41 1.11 -1.26 -3.18 116.67 117.11 3jx0 s ASP 471 Ca 0.38 2.71 -0.24 0.00 0.18 0.00 0.00 52.55 55.59 3jx0 s ASP 471 Cb 0.38 -2.65 -0.03 0.00 1.07 0.00 0.00 42.92 41.69 3jx0 s ASP 471 CO -0.07 -0.70 0.72 -0.36 1.18 0.00 0.00 175.17 175.94 3jx0 s PHE 472 N -1.19 3.54 -0.01 4.23 0.40 -1.26 -0.67 117.98 123.02 3jx0 s PHE 472 Ca 0.53 1.23 0.01 0.00 -0.60 0.00 0.00 56.93 58.10 3jx0 s PHE 472 Cb -0.40 -2.84 0.00 0.00 0.51 0.00 0.00 43.02 40.29 3jx0 s PHE 472 CO 0.52 0.01 -0.02 1.03 0.70 0.00 0.00 175.22 177.46 3jx0 s ARG 473 N 1.12 0.24 -0.35 0.44 1.81 0.20 -3.21 118.95 119.20 3jx0 s ARG 473 Ca 0.37 -0.08 -0.19 0.00 -1.72 0.00 0.00 55.73 54.11 3jx0 s ARG 473 Cb -0.17 -0.26 -0.00 0.00 -0.45 0.00 0.00 34.95 34.07 3jx0 s ARG 473 CO 0.17 0.03 0.57 0.08 -0.68 0.00 0.00 175.30 175.47 3jx0 s VAL 474 N 0.08 4.96 0.10 3.52 1.01 -1.26 -0.39 120.40 128.42 3jx0 s VAL 474 Ca -0.00 0.45 0.23 0.00 0.00 0.00 0.00 61.98 62.65 3jx0 s VAL 474 Cb -0.03 -4.01 0.21 0.00 0.00 0.00 0.00 36.38 32.55 3jx0 s VAL 474 CO -0.00 -0.26 1.78 -0.50 0.00 0.00 0.00 175.10 176.12 3jx0 h TRP 475 N 8.45 0.00 -4.06 5.22 4.06 -1.32 -3.42 115.95 124.88 3jx0 h TRP 475 Ca -0.27 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.16 3jx0 h TRP 475 Cb 1.12 0.00 0.10 0.00 -1.00 0.00 0.00 29.16 29.37 3jx0 h TRP 475 CO 0.73 0.25 0.49 -0.80 -3.56 0.00 0.00 178.44 175.56 3jx0 s ASN 476 N -6.23 5.56 0.09 -3.49 -0.87 -1.26 -4.93 114.94 103.82 3jx0 s ASN 476 Ca 0.01 2.39 -0.02 0.00 -1.57 0.00 0.00 52.86 53.67 3jx0 s ASN 476 Cb 0.10 -2.60 -0.23 0.00 -0.02 0.00 0.00 41.25 38.50 3jx0 s ASN 476 CO 0.65 -1.34 1.20 0.77 -2.57 0.00 0.00 177.10 175.81 3jx0 h SER 477 N 1.35 0.36 -4.55 -1.22 4.64 -1.91 -3.33 113.55 108.89 3jx0 h SER 477 Ca -0.50 -0.37 -0.35 0.00 -0.47 0.00 0.00 61.79 60.10 3jx0 h SER 477 Cb 1.28 -0.12 -0.21 0.00 -0.31 0.00 0.00 62.40 63.05 3jx0 h SER 477 CO 0.57 1.26 -0.76 -1.10 -0.87 0.00 0.00 176.83 175.94 3jx0 s GLN 478 N -2.77 0.74 0.32 4.77 -0.21 -1.26 -1.16 119.66 120.08 3jx0 s GLN 478 Ca -0.03 -0.93 0.02 0.00 0.02 0.00 0.00 55.36 54.43 3jx0 s GLN 478 Cb 0.08 -0.61 0.57 0.00 1.00 0.00 0.00 33.01 34.06 3jx0 s GLN 478 CO 0.87 0.12 1.94 -0.07 -2.12 0.00 0.00 175.29 176.03 3jx0 h LEU 479 N 4.21 0.84 -8.03 2.90 3.38 -1.35 -3.38 115.31 113.88 3jx0 h LEU 479 Ca -0.39 -0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.94 3jx0 h LEU 479 Cb 1.19 -0.18 -0.35 0.00 0.09 0.00 0.00 40.66 41.41 3jx0 h LEU 479 CO 0.43 0.56 -0.85 -0.63 0.09 0.00 0.00 178.44 178.04 3jx0 s ILE 480 N -5.84 1.85 0.02 1.22 1.01 -1.26 -4.88 121.20 113.32 3jx0 s ILE 480 Ca -0.11 -0.82 -0.21 0.00 0.00 0.00 0.00 60.65 59.51 3jx0 s ILE 480 Cb 0.19 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 41.03 3jx0 s ILE 480 CO 0.79 0.51 0.47 -0.13 0.00 0.00 0.00 174.94 176.57 3jx0 s ARG 481 N 1.22 0.94 0.09 2.79 0.52 -1.26 -4.85 118.95 118.39 3jx0 s ARG 481 Ca 0.01 -0.21 -0.20 0.00 -0.52 0.00 0.00 55.73 54.81 3jx0 s ARG 481 Cb -0.14 0.43 -0.07 0.00 0.52 0.00 0.00 34.95 35.69 3jx0 s ARG 481 CO -0.09 -0.32 0.60 0.71 0.02 0.00 0.00 175.30 176.23 3jx0 s TYR 482 N -2.10 3.82 0.56 -0.53 4.12 -1.26 -0.72 117.35 121.25 3jx0 s TYR 482 Ca -0.07 1.33 -0.20 0.00 0.02 0.00 0.00 57.07 58.14 3jx0 s TYR 482 Cb -0.01 -2.54 -0.04 0.00 -1.52 0.00 0.00 41.96 37.84 3jx0 s TYR 482 CO 0.01 0.57 1.28 0.00 0.02 0.00 0.00 175.55 177.43 3jx0 s ALA 483 N -1.10 2.69 -0.05 3.71 0.00 0.37 -4.35 121.76 123.03 3jx0 s ALA 483 Ca 0.30 1.18 0.06 0.00 0.00 0.00 0.00 51.96 53.50 3jx0 s ALA 483 Cb -0.20 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 3jx0 s ALA 483 CO 0.20 -1.27 -0.23 0.20 0.00 0.00 0.00 175.76 174.66 3jx0 s GLY 484 N -1.24 1.20 -0.15 0.00 0.00 -1.24 -1.53 107.32 104.36 3jx0 s GLY 484 Ca 0.74 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 44.48 3jx0 s GLY 484 CO 0.41 -0.64 -0.07 -0.19 0.00 0.00 0.00 173.10 172.61 3jx0 s TYR 485 N -0.21 1.71 -0.23 1.90 1.51 0.80 -4.10 117.35 118.73 3jx0 s TYR 485 Ca -0.01 -1.00 -0.22 0.00 -1.01 0.00 0.00 57.07 54.83 3jx0 s TYR 485 Cb -0.12 -1.33 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 3jx0 s TYR 485 CO 0.02 -0.59 0.72 0.21 -1.11 0.00 0.00 175.55 174.80 3jx0 s LYS 486 N 1.63 4.18 0.51 -0.62 2.47 -1.26 -0.79 119.74 125.86 3jx0 s LYS 486 Ca 0.02 0.75 -0.09 0.00 -1.56 0.00 0.00 55.97 55.10 3jx0 s LYS 486 Cb -0.14 -3.62 -0.05 0.00 -1.46 0.00 0.00 37.83 32.56 3jx0 s LYS 486 CO -0.08 -0.40 0.87 -0.65 0.16 0.00 0.00 175.35 175.25 3jx0 s GLN 487 N 2.43 3.64 0.50 4.03 -1.52 0.11 -4.99 119.66 123.87 3jx0 s GLN 487 Ca 0.31 0.47 0.16 0.00 -1.95 0.00 0.00 55.36 54.35 3jx0 s GLN 487 Cb -0.16 -2.28 1.22 0.00 -0.22 0.00 0.00 33.01 31.58 3jx0 s GLN 487 CO 0.09 -0.28 2.11 -1.35 -0.25 0.00 0.00 175.29 175.61 3jx0 h PRO 488 N 0.35 0.09 0.00 2.91 0.11 -1.97 -0.85 132.00 132.65 3jx0 h PRO 488 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3jx0 h PRO 488 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3jx0 h PRO 488 CO 0.62 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3jx0 n ASP 489 N -4.50 0.00 0.00 -2.05 3.85 -1.26 -4.90 116.55 107.69 3jx0 n ASP 489 Ca 0.00 -0.98 0.00 0.00 -0.71 0.00 0.00 54.79 53.10 3jx0 n ASP 489 Cb 0.18 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 3jx0 n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jx0 n GLY 490 N 0.64 1.65 3.81 6.12 0.00 -0.33 -5.04 105.19 112.05 3jx0 n GLY 490 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3jx0 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx0 s SER 491 N -3.03 5.56 -0.02 1.61 1.04 -1.26 -4.81 113.70 112.79 3jx0 s SER 491 Ca 0.00 1.69 0.05 0.00 0.48 0.00 0.00 55.95 58.16 3jx0 s SER 491 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 3jx0 s SER 491 CO 0.00 -1.32 -0.15 -0.89 0.98 0.00 0.00 173.24 171.86 3jx0 s THR 492 N -2.82 3.01 -0.10 2.02 2.01 -1.26 -0.71 115.64 117.79 3jx0 s THR 492 Ca 0.60 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.75 3jx0 s THR 492 Cb -0.15 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3jx0 s THR 492 CO 0.48 0.51 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.63 3jx0 s LEU 493 N -0.95 3.07 0.00 4.42 2.96 0.03 -4.96 118.68 123.25 3jx0 s LEU 493 Ca 0.13 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3jx0 s LEU 493 Cb -0.11 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.89 3jx0 s LEU 493 CO 0.02 0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.93 3jx0 n GLY 494 N 2.83 -0.60 3.54 7.98 0.00 -1.26 -0.14 105.19 117.55 3jx0 n GLY 494 Ca -0.18 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 3jx0 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx0 s ASP 495 N -4.00 6.42 0.54 1.61 -1.08 -0.58 -4.81 116.67 114.78 3jx0 s ASP 495 Ca 0.00 -0.10 0.24 0.00 -0.52 0.00 0.00 52.55 52.17 3jx0 s ASP 495 Cb 0.00 -2.44 1.44 0.00 -1.46 0.00 0.00 42.92 40.46 3jx0 s ASP 495 CO 0.00 -1.10 2.05 -0.65 0.52 0.00 0.00 175.17 175.99 3jx0 h PRO 496 N 9.16 0.00 0.00 4.34 0.11 -1.80 -0.83 132.00 142.98 3jx0 h PRO 496 Ca -0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 3jx0 h PRO 496 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3jx0 h PRO 496 CO 1.04 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.81 3jx0 h ALA 497 N 1.80 1.11 -0.48 -0.75 0.00 -1.92 -2.96 119.26 116.06 3jx0 h ALA 497 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3jx0 h ALA 497 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3jx0 h ALA 497 CO -0.00 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3jx0 n ASN 498 N -3.27 3.34 -0.11 0.00 3.02 -0.32 -4.67 115.26 113.24 3jx0 n ASN 498 Ca -0.02 -1.97 -0.08 0.00 -0.03 0.00 0.00 54.58 52.48 3jx0 n ASN 498 Cb 0.14 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 3jx0 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jx0 h VAL 499 N 3.21 0.23 -0.14 2.41 2.07 -1.61 0.25 116.25 122.67 3jx0 h VAL 499 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3jx0 h VAL 499 Cb 0.85 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3jx0 h VAL 499 CO 0.00 0.00 0.06 -0.61 0.02 0.00 0.00 177.57 177.04 3jx0 h GLN 500 N -0.26 0.20 -0.66 1.57 4.15 -1.86 -0.17 115.11 118.08 3jx0 h GLN 500 Ca 0.17 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 3jx0 h GLN 500 Cb 0.54 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 3jx0 h GLN 500 CO -0.52 0.27 0.23 0.35 -1.93 0.00 0.00 178.83 177.23 3jx0 h PHE 501 N 0.09 1.03 -0.66 3.99 3.57 -1.85 -1.84 116.94 121.27 3jx0 h PHE 501 Ca 0.05 -0.09 0.11 0.00 3.53 0.00 0.00 57.97 61.57 3jx0 h PHE 501 Cb 0.14 -0.30 -0.08 0.00 2.79 0.00 0.00 35.95 38.49 3jx0 h PHE 501 CO -0.02 0.82 0.24 1.15 -2.23 0.00 0.00 178.31 178.27 3jx0 h THR 502 N 0.94 0.72 -0.72 4.41 2.02 -0.60 0.03 112.91 119.70 3jx0 h THR 502 Ca 0.22 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.28 3jx0 h THR 502 Cb 0.25 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 3jx0 h THR 502 CO -0.01 0.07 0.46 -0.33 0.37 0.00 0.00 175.52 176.09 3jx0 h GLU 503 N 0.41 0.89 -0.10 6.66 5.08 -0.53 0.98 114.58 127.97 3jx0 h GLU 503 Ca 0.35 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3jx0 h GLU 503 Cb 0.47 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3jx0 h GLU 503 CO -0.35 0.59 0.04 0.82 -1.00 0.00 0.00 179.01 179.11 3jx0 h ILE 504 N 0.92 1.13 -0.52 3.13 2.04 -0.70 -0.39 117.51 123.12 3jx0 h ILE 504 Ca 0.28 -0.37 0.08 0.00 1.00 0.00 0.00 64.86 65.85 3jx0 h ILE 504 Cb -0.04 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 3jx0 h ILE 504 CO -0.09 0.11 0.15 0.00 0.00 0.00 0.00 178.15 178.32 3jx0 h ILE 506 N 0.30 1.23 -0.94 0.00 2.04 -0.66 -1.30 117.51 118.18 3jx0 h ILE 506 Ca 0.26 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3jx0 h ILE 506 Cb 0.32 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 3jx0 h ILE 506 CO -0.29 0.24 0.56 -0.61 0.00 0.00 0.00 178.15 178.05 3jx0 h GLN 507 N 1.12 1.29 0.00 2.37 4.15 -0.19 -1.10 115.11 122.75 3jx0 h GLN 507 Ca 0.29 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3jx0 h GLN 507 Cb -0.03 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.39 3jx0 h GLN 507 CO -0.05 0.90 0.00 1.04 -1.93 0.00 0.00 178.83 178.79 3jx0 n GLN 508 N -4.35 0.57 0.00 1.69 1.13 -0.18 -4.86 117.38 111.38 3jx0 n GLN 508 Ca 0.11 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 3jx0 n GLN 508 Cb 0.06 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.91 3jx0 n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jx0 n GLY 509 N 0.57 1.08 3.72 1.08 0.00 -0.42 -4.91 105.19 106.30 3jx0 n GLY 509 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3jx0 n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jx0 s TRP 510 N -2.00 3.00 -0.35 1.61 -0.00 -0.54 -4.97 118.94 115.70 3jx0 s TRP 510 Ca 0.00 0.56 -0.21 0.00 -0.00 0.00 0.00 56.10 56.45 3jx0 s TRP 510 Cb 0.00 -3.96 0.00 0.00 -0.00 0.00 0.00 33.47 29.51 3jx0 s TRP 510 CO 0.00 -3.59 0.69 0.15 -0.00 0.00 0.00 176.95 174.20 3jx0 s LYS 511 N 1.23 3.75 -0.17 5.86 1.02 -1.26 -4.44 119.74 125.72 3jx0 s LYS 511 Ca 0.71 0.20 -0.18 0.00 0.02 0.00 0.00 55.97 56.72 3jx0 s LYS 511 Cb -0.44 -3.79 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 3jx0 s LYS 511 CO 0.31 -0.74 0.49 0.00 -0.92 0.00 0.00 175.35 174.50 3jx0 s ALA 512 N 2.82 3.52 0.52 5.17 0.00 -1.26 -4.94 121.76 127.58 3jx0 s ALA 512 Ca 0.27 -0.33 0.24 0.00 0.00 0.00 0.00 51.96 52.14 3jx0 s ALA 512 Cb -0.14 -2.73 1.50 0.00 0.00 0.00 0.00 23.12 21.75 3jx0 s ALA 512 CO 0.15 -0.26 2.15 -1.35 0.00 0.00 0.00 175.76 176.46 3jx0 h PRO 513 N 7.16 0.00 -5.80 0.00 0.11 -1.99 -3.47 132.00 128.01 3jx0 h PRO 513 Ca -0.37 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.38 3jx0 h PRO 513 Cb 1.16 0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.41 3jx0 h PRO 513 CO 0.74 0.06 -0.76 0.54 -0.21 0.00 0.00 178.00 178.37 3jx0 n ARG 514 N -4.02 -6.56 -3.21 1.05 1.74 -1.26 -5.04 116.66 99.36 3jx0 n ARG 514 Ca -0.03 0.79 -0.20 0.00 -0.77 0.00 0.00 57.85 57.64 3jx0 n ARG 514 Cb 0.14 -5.74 0.02 0.00 -1.02 0.00 0.00 32.46 25.87 3jx0 n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jx0 n GLY 515 N -1.41 2.50 0.16 -0.13 0.00 -1.26 -5.05 105.19 100.00 3jx0 n GLY 515 Ca -0.21 -2.26 0.04 0.00 0.00 0.00 0.00 46.02 43.59 3jx0 n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jx0 h ARG 516 N 0.00 0.00 -1.97 1.61 2.43 -1.92 -3.38 114.38 111.14 3jx0 h ARG 516 Ca -0.27 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.40 3jx0 h ARG 516 Cb 1.08 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.23 3jx0 h ARG 516 CO 0.42 0.44 -1.10 1.19 -1.51 0.00 0.00 179.97 179.41 3jx0 n PHE 517 N -3.31 0.97 -3.01 2.20 3.01 -1.26 -4.17 117.46 111.88 3jx0 n PHE 517 Ca 0.01 -3.77 -0.41 0.00 1.01 0.00 0.00 57.45 54.29 3jx0 n PHE 517 Cb 0.65 -0.42 -0.05 0.00 -0.01 0.00 0.00 39.48 39.64 3jx0 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jx0 s ASP 518 N -2.68 6.73 0.07 4.37 1.01 -1.26 -4.93 116.67 119.98 3jx0 s ASP 518 Ca 0.41 0.90 -0.31 0.00 0.71 0.00 0.00 52.55 54.26 3jx0 s ASP 518 Cb 0.35 -2.39 -0.08 0.00 1.01 0.00 0.00 42.92 41.81 3jx0 s ASP 518 CO -0.08 -0.40 1.59 -0.69 0.21 0.00 0.00 175.17 175.80 3jx0 s VAL 519 N 2.45 3.10 0.65 -1.27 1.01 -1.26 -0.48 120.40 124.60 3jx0 s VAL 519 Ca 0.31 0.59 -0.15 0.00 0.00 0.00 0.00 61.98 62.73 3jx0 s VAL 519 Cb -0.16 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 3jx0 s VAL 519 CO 0.09 0.01 1.11 -0.76 0.00 0.00 0.00 175.10 175.54 3jx0 s LEU 520 N 2.35 3.40 0.69 3.92 1.43 0.11 -4.86 118.68 125.72 3jx0 s LEU 520 Ca 0.71 1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 55.69 3jx0 s LEU 520 Cb -0.39 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.29 3jx0 s LEU 520 CO 0.31 -1.60 1.06 -2.16 0.23 0.00 0.00 176.35 174.19 3jx0 s PRO 521 N -4.10 2.95 0.09 1.29 0.04 -1.26 -4.77 135.00 129.24 3jx0 s PRO 521 Ca 0.67 0.79 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 3jx0 s PRO 521 Cb -0.20 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 3jx0 s PRO 521 CO 0.41 -1.04 0.77 -0.51 0.04 0.00 0.00 177.00 176.67 3jx0 s LEU 522 N -5.47 4.50 -0.23 -3.56 1.43 0.17 -4.89 118.68 110.64 3jx0 s LEU 522 Ca 0.58 1.52 0.01 0.00 -1.03 0.00 0.00 54.13 55.20 3jx0 s LEU 522 Cb -0.13 -3.26 0.03 0.00 0.03 0.00 0.00 46.19 42.87 3jx0 s LEU 522 CO 0.54 0.08 -0.13 -0.22 0.23 0.00 0.00 176.35 176.86 3jx0 s LEU 523 N -0.43 2.87 -0.08 1.79 2.96 -1.26 -1.06 118.68 123.48 3jx0 s LEU 523 Ca 0.38 -0.94 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 3jx0 s LEU 523 Cb -0.21 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 44.93 3jx0 s LEU 523 CO 0.24 -0.10 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.27 3jx0 s LEU 524 N 1.25 1.71 -0.23 -0.68 1.43 -0.41 -0.85 118.68 120.90 3jx0 s LEU 524 Ca -0.01 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3jx0 s LEU 524 Cb -0.16 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.10 3jx0 s LEU 524 CO -0.08 0.04 -0.06 -1.58 0.23 0.00 0.00 176.35 174.90 3jx0 s GLN 525 N 0.72 3.13 -0.11 1.70 0.74 0.48 -0.49 119.66 125.83 3jx0 s GLN 525 Ca -0.13 -0.78 0.00 0.00 0.05 0.00 0.00 55.36 54.50 3jx0 s GLN 525 Cb -0.16 -2.96 -0.02 0.00 1.10 0.00 0.00 33.01 30.98 3jx0 s GLN 525 CO 0.03 -0.28 -0.12 0.00 -0.55 0.00 0.00 175.29 174.37 3jx0 s ALA 526 N 1.40 2.67 -1.71 1.58 0.00 -1.26 -0.62 121.76 123.82 3jx0 s ALA 526 Ca 0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3jx0 s ALA 526 Cb -0.15 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.78 3jx0 s ALA 526 CO -0.05 0.32 0.09 -1.71 0.00 0.00 0.00 175.76 174.41 3jx0 n ASN 527 N 3.25 -5.85 0.00 0.00 4.05 -1.18 -1.49 115.26 114.03 3jx0 n ASN 527 Ca -0.18 -0.06 0.00 0.00 0.45 0.00 0.00 54.58 54.79 3jx0 n ASN 527 Cb 0.53 -4.84 0.00 0.00 1.23 0.00 0.00 39.78 36.70 3jx0 n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3jx0 n GLY 528 N -1.10 0.93 3.80 8.20 0.00 0.16 -4.51 105.19 112.67 3jx0 n GLY 528 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3jx0 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx0 s ASN 529 N -2.91 4.91 0.44 1.61 0.01 -0.56 -4.89 114.94 113.56 3jx0 s ASN 529 Ca 0.00 1.63 -0.25 0.00 -0.71 0.00 0.00 52.86 53.53 3jx0 s ASN 529 Cb 0.00 -2.43 -0.09 0.00 0.41 0.00 0.00 41.25 39.14 3jx0 s ASN 529 CO 0.00 -1.74 1.20 0.47 -1.51 0.00 0.00 177.10 175.51 3jx0 n ASP 530 N -3.32 2.15 -4.85 -1.22 8.00 -1.26 -4.36 116.55 111.68 3jx0 n ASP 530 Ca 0.08 1.06 -0.31 0.00 0.71 0.00 0.00 54.79 56.34 3jx0 n ASP 530 Cb 0.54 -1.46 0.04 0.00 -0.02 0.00 0.00 41.12 40.21 3jx0 n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3jx0 s PRO 531 N -2.24 3.12 0.03 -0.24 0.04 -1.26 -4.73 135.00 129.72 3jx0 s PRO 531 Ca 0.63 0.74 0.06 0.00 0.04 0.00 0.00 61.00 62.47 3jx0 s PRO 531 Cb -0.51 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 3jx0 s PRO 531 CO 0.56 -0.92 -0.17 -1.21 0.04 0.00 0.00 177.00 175.31 3jx0 s GLU 532 N -5.17 1.18 0.14 4.56 2.02 0.36 -4.82 118.70 116.97 3jx0 s GLU 532 Ca 0.57 -0.80 -0.24 0.00 0.02 0.00 0.00 54.97 54.53 3jx0 s GLU 532 Cb -0.12 -1.23 -0.08 0.00 0.10 0.00 0.00 34.13 32.80 3jx0 s GLU 532 CO 0.54 0.31 0.72 -0.51 0.02 0.00 0.00 175.26 176.34 3jx0 s LEU 533 N -1.02 4.58 -0.06 1.80 1.43 -1.26 -1.29 118.68 122.87 3jx0 s LEU 533 Ca 0.05 1.54 -0.10 0.00 -1.03 0.00 0.00 54.13 54.59 3jx0 s LEU 533 Cb -0.08 -3.18 0.02 0.00 0.03 0.00 0.00 46.19 42.98 3jx0 s LEU 533 CO 0.01 0.23 0.24 -0.36 0.23 0.00 0.00 176.35 176.70 3jx0 s PHE 534 N -1.13 -0.20 -0.28 0.29 0.40 -0.22 -4.97 117.98 111.87 3jx0 s PHE 534 Ca 0.34 0.44 -0.10 0.00 -0.60 0.00 0.00 56.93 57.00 3jx0 s PHE 534 Cb -0.22 0.07 -0.04 0.00 0.51 0.00 0.00 43.02 43.33 3jx0 s PHE 534 CO 0.24 -0.22 0.17 -1.14 0.70 0.00 0.00 175.22 174.98 3jx0 s GLN 535 N -0.46 3.86 0.27 0.44 0.74 -1.26 0.43 119.66 123.69 3jx0 s GLN 535 Ca -0.06 -0.37 -0.30 0.00 0.05 0.00 0.00 55.36 54.67 3jx0 s GLN 535 Cb -0.04 -3.61 -0.12 0.00 1.10 0.00 0.00 33.01 30.34 3jx0 s GLN 535 CO 0.01 -0.20 1.58 -0.89 -0.55 0.00 0.00 175.29 175.24 3jx0 n ILE 536 N 5.04 0.89 -1.69 -2.34 5.41 -1.26 -4.89 119.36 120.51 3jx0 n ILE 536 Ca -0.14 -0.22 -0.44 0.00 1.00 0.00 0.00 62.75 62.95 3jx0 n ILE 536 Cb 0.52 -1.88 -0.03 0.00 -0.71 0.00 0.00 39.64 37.53 3jx0 n ILE 536 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3jx0 n PRO 537 N 2.34 2.57 0.23 0.38 -0.02 -1.26 -4.84 135.00 134.41 3jx0 n PRO 537 Ca 0.10 0.93 0.07 0.00 -2.02 0.00 0.00 63.50 62.57 3jx0 n PRO 537 Cb 0.36 -2.77 0.55 0.00 -0.02 0.00 0.00 33.50 31.62 3jx0 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jx0 h PRO 538 N 7.14 0.00 0.00 0.52 0.11 -1.95 0.11 132.00 137.92 3jx0 h PRO 538 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3jx0 h PRO 538 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3jx0 h PRO 538 CO 0.93 0.14 0.00 -0.85 -0.21 0.00 0.00 178.00 178.02 3jx0 n GLU 539 N -4.29 0.05 0.05 1.05 0.00 -1.26 -1.02 120.64 115.22 3jx0 n GLU 539 Ca -0.03 0.36 0.12 0.00 0.00 0.00 0.00 57.16 57.61 3jx0 n GLU 539 Cb 0.21 -1.60 0.14 0.00 0.00 0.00 0.00 31.44 30.19 3jx0 n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3jx0 n LEU 540 N -1.70 0.66 -4.38 -1.84 4.32 0.02 -4.79 117.00 109.30 3jx0 n LEU 540 Ca 0.02 0.16 -0.45 0.00 -0.02 0.00 0.00 56.01 55.72 3jx0 n LEU 540 Cb 0.14 -0.17 -0.04 0.00 -1.62 0.00 0.00 43.42 41.73 3jx0 n LEU 540 CO 0.12 -0.02 0.47 -0.69 -1.22 0.00 0.00 177.39 176.05 3jx0 s VAL 541 N -3.17 4.86 -0.07 4.08 1.01 -0.19 -4.81 120.40 122.11 3jx0 s VAL 541 Ca 0.06 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.60 3jx0 s VAL 541 Cb 0.14 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 3jx0 s VAL 541 CO 0.74 -1.17 1.02 -0.22 0.00 0.00 0.00 175.10 175.47 3jx0 s LEU 542 N 2.54 4.28 0.14 3.92 2.96 -1.26 -5.01 118.68 126.25 3jx0 s LEU 542 Ca 0.14 1.59 0.09 0.00 -0.22 0.00 0.00 54.13 55.73 3jx0 s LEU 542 Cb -0.21 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 3jx0 s LEU 542 CO 0.04 -0.41 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.84 3jx0 s GLU 543 N 1.75 1.25 -0.18 1.98 2.02 -1.26 -0.63 118.70 123.63 3jx0 s GLU 543 Ca 0.50 -1.30 0.01 0.00 0.02 0.00 0.00 54.97 54.19 3jx0 s GLU 543 Cb -0.20 -1.50 0.04 0.00 0.10 0.00 0.00 34.13 32.57 3jx0 s GLU 543 CO 0.21 0.33 -0.12 0.08 0.02 0.00 0.00 175.26 175.79 3jx0 s VAL 544 N -1.47 1.64 0.35 2.63 1.01 0.11 -4.90 120.40 119.77 3jx0 s VAL 544 Ca 0.12 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 3jx0 s VAL 544 Cb -0.08 -1.65 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 3jx0 s VAL 544 CO 0.06 0.27 1.23 -2.16 0.00 0.00 0.00 175.10 174.50 3jx0 s PRO 545 N 1.42 4.28 -0.23 2.72 0.04 -1.26 -1.39 135.00 140.58 3jx0 s PRO 545 Ca 0.01 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 3jx0 s PRO 545 Cb -0.15 -2.95 -0.05 0.00 0.04 0.00 0.00 34.50 31.40 3jx0 s PRO 545 CO -0.09 -0.19 0.21 0.42 0.04 0.00 0.00 177.00 177.39 3jx0 s ILE 546 N -1.23 5.33 0.21 0.56 -1.09 0.54 -4.86 121.20 120.65 3jx0 s ILE 546 Ca 0.51 0.29 0.02 0.00 -2.23 0.00 0.00 60.65 59.25 3jx0 s ILE 546 Cb -0.36 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 36.93 3jx0 s ILE 546 CO 0.46 0.34 0.02 0.00 -1.23 0.00 0.00 174.94 174.53 3jx0 s ARG 547 N 1.02 1.24 -0.02 2.79 3.03 -1.26 -4.08 118.95 121.67 3jx0 s ARG 547 Ca 0.10 -1.63 0.04 0.00 2.03 0.00 0.00 55.73 56.28 3jx0 s ARG 547 Cb -0.13 -0.37 -0.03 0.00 -1.03 0.00 0.00 34.95 33.39 3jx0 s ARG 547 CO 0.04 -0.16 -0.13 -1.58 -1.13 0.00 0.00 175.30 172.35 3jx0 s HIS 548 N -3.61 2.73 0.42 5.89 2.46 -1.25 -4.38 115.29 117.54 3jx0 s HIS 548 Ca 0.28 -0.14 0.18 0.00 0.47 0.00 0.00 55.06 55.85 3jx0 s HIS 548 Cb 0.06 -1.59 1.05 0.00 -0.13 0.00 0.00 32.58 31.98 3jx0 s HIS 548 CO 0.07 0.26 1.97 -1.00 -2.47 0.00 0.00 174.74 173.58 3jx0 h PRO 549 N 4.94 0.00 0.00 2.88 0.13 -1.92 -3.27 132.00 134.76 3jx0 h PRO 549 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 3jx0 h PRO 549 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3jx0 h PRO 549 CO 0.51 0.21 -1.34 1.63 -0.23 0.00 0.00 178.00 178.78 3jx0 n LYS 550 N -4.08 2.86 -3.16 0.86 5.02 -1.26 -4.92 118.16 113.47 3jx0 n LYS 550 Ca -0.02 -0.01 -0.45 0.00 -2.02 0.00 0.00 58.31 55.81 3jx0 n LYS 550 Cb 0.28 -1.13 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 3jx0 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jx0 s PHE 551 N -2.15 3.07 0.50 2.13 2.99 -1.23 -4.91 117.98 118.37 3jx0 s PHE 551 Ca -0.02 -1.05 0.18 0.00 0.00 0.00 0.00 56.93 56.03 3jx0 s PHE 551 Cb 0.02 -3.96 1.29 0.00 0.00 0.00 0.00 43.02 40.36 3jx0 s PHE 551 CO 0.21 -1.22 2.12 0.22 -0.00 0.00 0.00 175.22 176.54 3jx0 h ASP 552 N 9.11 0.00 1.02 1.36 -0.00 -1.92 -2.71 116.42 123.28 3jx0 h ASP 552 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.74 3jx0 h ASP 552 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.42 3jx0 h ASP 552 CO 1.09 0.06 0.00 -2.67 -0.00 0.00 0.00 179.24 177.71 3jx0 n TRP 553 N -4.33 0.52 -0.31 0.28 4.27 -1.26 -3.81 117.44 112.80 3jx0 n TRP 553 Ca -0.03 0.17 -0.02 0.00 -3.89 0.00 0.00 57.50 53.74 3jx0 n TRP 553 Cb 0.14 -0.78 0.11 0.00 -1.36 0.00 0.00 31.31 29.42 3jx0 n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3jx0 h PHE 554 N 0.00 1.03 -0.69 -2.67 3.57 -1.85 -1.93 116.94 114.40 3jx0 h PHE 554 Ca 0.00 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.61 3jx0 h PHE 554 Cb 0.51 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 3jx0 h PHE 554 CO 0.00 0.59 0.45 1.57 -2.23 0.00 0.00 178.31 178.69 3jx0 h LYS 555 N 1.06 0.62 0.00 1.11 2.10 -1.71 -2.18 116.57 117.57 3jx0 h LYS 555 Ca 0.34 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 3jx0 h LYS 555 Cb 0.01 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.20 3jx0 h LYS 555 CO -0.12 0.41 0.00 -0.25 -2.00 0.00 0.00 179.45 177.49 3jx0 n ASP 556 N -4.48 0.17 0.33 7.07 8.00 -0.72 -1.87 116.55 125.04 3jx0 n ASP 556 Ca 0.11 0.54 0.21 0.00 0.71 0.00 0.00 54.79 56.35 3jx0 n ASP 556 Cb 0.28 -0.58 1.12 0.00 -0.02 0.00 0.00 41.12 41.93 3jx0 n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jx0 h LEU 557 N 0.00 0.00 0.03 0.64 3.38 -1.46 -3.47 115.31 114.44 3jx0 h LEU 557 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3jx0 h LEU 557 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3jx0 h LEU 557 CO 0.00 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.13 3jx0 n GLY 558 N -1.04 0.42 3.77 0.83 0.00 -0.78 -5.02 105.19 103.37 3jx0 n GLY 558 Ca -0.03 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 3jx0 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx0 s LEU 559 N -0.14 4.54 0.15 0.99 1.43 -1.26 -4.98 118.68 119.41 3jx0 s LEU 559 Ca 0.00 1.81 -0.05 0.00 -1.03 0.00 0.00 54.13 54.86 3jx0 s LEU 559 Cb 0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 3jx0 s LEU 559 CO 0.00 0.11 0.17 -1.59 0.23 0.00 0.00 176.35 175.27 3jx0 s LYS 560 N -1.43 1.06 0.10 1.70 -2.85 -1.26 -0.34 119.74 116.71 3jx0 s LYS 560 Ca 0.42 -1.33 -0.07 0.00 -1.00 0.00 0.00 55.97 53.99 3jx0 s LYS 560 Cb -0.23 0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 35.84 3jx0 s LYS 560 CO 0.28 -0.35 0.16 -0.46 0.10 0.00 0.00 175.35 175.08 3jx0 s TRP 561 N -4.02 0.29 0.26 1.78 -0.11 -0.49 -4.92 118.94 111.74 3jx0 s TRP 561 Ca 0.22 -0.72 -0.15 0.00 1.22 0.00 0.00 56.10 56.67 3jx0 s TRP 561 Cb 0.05 -0.13 -0.08 0.00 -1.50 0.00 0.00 33.47 31.81 3jx0 s TRP 561 CO 0.02 -0.55 0.68 1.52 -4.62 0.00 0.00 176.95 174.00 3jx0 s TYR 562 N -3.90 3.46 0.10 5.86 -0.85 -1.26 0.07 117.35 120.83 3jx0 s TYR 562 Ca 0.08 1.17 0.14 0.00 -0.52 0.00 0.00 57.07 57.94 3jx0 s TYR 562 Cb 0.05 -2.48 0.27 0.00 0.38 0.00 0.00 41.96 40.18 3jx0 s TYR 562 CO -0.08 0.21 1.54 0.78 -1.52 0.00 0.00 175.55 176.48 3jx0 h GLY 563 N 2.69 0.00 -7.57 5.49 0.00 -1.22 -3.45 103.07 99.01 3jx0 h GLY 563 Ca -0.48 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.15 3jx0 h GLY 563 CO 0.66 0.00 -0.53 -2.27 0.00 0.00 0.00 176.54 174.40 3jx0 s LEU 564 N -6.95 4.74 -0.23 3.11 2.96 -1.26 -4.45 118.68 116.59 3jx0 s LEU 564 Ca 0.01 -1.19 -0.25 0.00 -0.22 0.00 0.00 54.13 52.48 3jx0 s LEU 564 Cb 0.10 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 3jx0 s LEU 564 CO 0.75 -0.41 0.83 -2.16 -1.32 0.00 0.00 176.35 174.03 3jx0 s PRO 565 N 1.47 4.20 -0.32 0.98 0.04 -1.26 -4.73 135.00 135.38 3jx0 s PRO 565 Ca 0.01 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 61.99 3jx0 s PRO 565 Cb -0.20 -3.64 0.12 0.00 0.04 0.00 0.00 34.50 30.82 3jx0 s PRO 565 CO 0.04 -0.50 0.17 0.00 0.04 0.00 0.00 177.00 176.76 3jx0 s ALA 566 N 2.76 0.71 0.01 8.56 0.00 -1.26 -2.59 121.76 129.96 3jx0 s ALA 566 Ca 0.35 -1.40 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 3jx0 s ALA 566 Cb -0.15 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 3jx0 s ALA 566 CO 0.08 -1.85 1.27 0.08 0.00 0.00 0.00 175.76 175.33 3jx0 s VAL 567 N 1.66 3.96 0.00 0.00 1.01 0.90 -0.95 120.40 126.98 3jx0 s VAL 567 Ca 0.13 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.47 3jx0 s VAL 567 Cb -0.19 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3jx0 s VAL 567 CO -0.20 0.04 0.37 -1.54 0.00 0.00 0.00 175.10 173.77 3jx0 n SER 568 N 4.70 0.73 -1.06 3.32 3.41 -0.31 -1.04 113.62 123.37 3jx0 n SER 568 Ca 0.11 -0.92 0.09 0.00 -0.26 0.00 0.00 58.87 57.88 3jx0 n SER 568 Cb 0.45 0.11 0.25 0.00 -0.26 0.00 0.00 64.21 64.77 3jx0 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jx0 n ASN 569 N -0.11 3.61 -4.98 4.04 0.23 -1.22 -4.41 115.26 112.41 3jx0 n ASN 569 Ca 0.00 -2.09 -0.20 0.00 -0.53 0.00 0.00 54.58 51.77 3jx0 n ASN 569 Cb 0.03 -0.39 0.01 0.00 -2.08 0.00 0.00 39.78 37.35 3jx0 n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3jx0 s MET 570 N -1.16 2.91 -0.10 -3.83 -1.94 -1.26 -4.30 119.30 109.61 3jx0 s MET 570 Ca 0.38 -0.91 0.02 0.00 -1.71 0.00 0.00 55.69 53.46 3jx0 s MET 570 Cb 0.21 -2.68 -0.01 0.00 2.01 0.00 0.00 34.83 34.36 3jx0 s MET 570 CO 0.24 -0.26 -0.16 -1.17 -0.01 0.00 0.00 175.02 173.66 3jx0 s LEU 571 N -4.43 2.59 -0.31 -0.03 0.20 0.00 -4.29 118.68 112.41 3jx0 s LEU 571 Ca 0.51 -0.35 -0.10 0.00 0.69 0.00 0.00 54.13 54.88 3jx0 s LEU 571 Cb -0.10 -1.55 -0.02 0.00 -0.43 0.00 0.00 46.19 44.09 3jx0 s LEU 571 CO 0.35 0.21 0.17 -0.22 -0.29 0.00 0.00 176.35 176.56 3jx0 s LEU 572 N 0.10 4.12 -0.23 -0.68 2.96 -0.01 -0.56 118.68 124.39 3jx0 s LEU 572 Ca -0.07 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.35 3jx0 s LEU 572 Cb -0.15 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 3jx0 s LEU 572 CO 0.05 -0.17 0.11 -0.70 -1.32 0.00 0.00 176.35 174.32 3jx0 s GLU 573 N 1.66 3.93 -0.06 1.98 2.12 -0.04 -1.10 118.70 127.19 3jx0 s GLU 573 Ca 0.05 -0.35 -0.02 0.00 0.36 0.00 0.00 54.97 55.01 3jx0 s GLU 573 Cb -0.17 -3.39 0.03 0.00 0.26 0.00 0.00 34.13 30.87 3jx0 s GLU 573 CO 0.08 0.05 0.05 0.42 -0.54 0.00 0.00 175.26 175.32 3jx0 s ILE 574 N 1.01 -0.03 -1.36 -3.70 1.01 -0.79 -1.83 121.20 115.51 3jx0 s ILE 574 Ca 0.06 0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.99 3jx0 s ILE 574 Cb -0.14 -0.25 0.03 0.00 0.01 0.00 0.00 42.46 42.11 3jx0 s ILE 574 CO 0.04 0.16 0.37 0.61 0.00 0.00 0.00 174.94 176.11 3jx0 n GLY 575 N 5.27 -0.50 1.84 6.18 0.00 -1.26 -0.76 105.19 115.96 3jx0 n GLY 575 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3jx0 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx0 n GLY 576 N -1.18 2.07 3.83 -0.02 0.00 -1.26 -3.03 105.19 105.60 3jx0 n GLY 576 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3jx0 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx0 s LEU 577 N 0.00 4.12 -0.29 0.99 1.43 0.06 -5.04 118.68 119.95 3jx0 s LEU 577 Ca 0.00 1.41 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 3jx0 s LEU 577 Cb 0.00 -4.05 0.06 0.00 0.03 0.00 0.00 46.19 42.23 3jx0 s LEU 577 CO 0.00 -0.17 -0.05 -1.61 0.23 0.00 0.00 176.35 174.75 3jx0 s GLU 578 N -2.75 2.23 -0.74 1.70 2.02 -1.26 -1.88 118.70 118.02 3jx0 s GLU 578 Ca 0.53 -1.38 -0.16 0.00 0.02 0.00 0.00 54.97 53.98 3jx0 s GLU 578 Cb -0.12 -3.04 0.17 0.00 0.10 0.00 0.00 34.13 31.24 3jx0 s GLU 578 CO 0.18 -0.64 0.75 -0.06 0.02 0.00 0.00 175.26 175.51 3jx0 s PHE 579 N 1.14 3.42 -0.57 1.61 0.40 -0.25 0.50 117.98 124.23 3jx0 s PHE 579 Ca -0.05 -1.57 0.23 0.00 -0.60 0.00 0.00 56.93 54.93 3jx0 s PHE 579 Cb -0.20 -3.92 0.93 0.00 0.51 0.00 0.00 43.02 40.34 3jx0 s PHE 579 CO -0.04 -1.12 1.69 -1.13 0.70 0.00 0.00 175.22 175.31 3jx0 n SER 580 N 5.04 0.59 -3.92 1.36 3.41 -1.26 -0.83 113.62 118.00 3jx0 n SER 580 Ca 0.05 0.64 -0.30 0.00 -0.26 0.00 0.00 58.87 59.00 3jx0 n SER 580 Cb 0.45 -0.76 -0.16 0.00 -0.26 0.00 0.00 64.21 63.48 3jx0 n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jx0 s ALA 581 N -3.26 1.82 -0.41 7.33 0.00 -1.20 -4.62 121.76 121.42 3jx0 s ALA 581 Ca 0.05 -1.21 0.09 0.00 0.00 0.00 0.00 51.96 50.89 3jx0 s ALA 581 Cb 0.10 -1.35 0.37 0.00 0.00 0.00 0.00 23.12 22.23 3jx0 s ALA 581 CO 0.39 -1.09 1.17 0.00 0.00 0.00 0.00 175.76 176.23 3jx0 n PRO 583 N -0.09 2.12 -4.15 0.00 -0.04 -1.18 -4.62 135.00 127.03 3jx0 n PRO 583 Ca 0.04 0.75 -0.14 0.00 -0.04 0.00 0.00 63.50 64.11 3jx0 n PRO 583 Cb 0.77 -2.41 -0.11 0.00 -0.04 0.00 0.00 33.50 31.71 3jx0 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jx0 s PHE 584 N -0.21 0.98 0.03 0.54 -0.12 -0.21 -1.34 117.98 117.64 3jx0 s PHE 584 Ca 0.66 -0.63 -0.05 0.00 -0.05 0.00 0.00 56.93 56.86 3jx0 s PHE 584 Cb -0.62 -0.55 -0.01 0.00 -0.63 0.00 0.00 43.02 41.21 3jx0 s PHE 584 CO 0.51 -0.03 0.08 -1.54 -0.05 0.00 0.00 175.22 174.20 3jx0 s SER 585 N -2.26 0.18 0.00 1.98 1.04 -0.30 -0.07 113.70 114.27 3jx0 s SER 585 Ca 0.02 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3jx0 s SER 585 Cb -0.04 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3jx0 s SER 585 CO -0.00 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.36 3jx0 n GLY 586 N 0.95 3.99 3.15 7.32 0.00 -1.07 -2.03 105.19 117.49 3jx0 n GLY 586 Ca -0.20 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 3jx0 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jx0 s TRP 587 N 3.06 0.49 0.43 1.61 -2.14 -1.26 -4.51 118.94 116.62 3jx0 s TRP 587 Ca 0.00 -0.97 -0.23 0.00 2.66 0.00 0.00 56.10 57.56 3jx0 s TRP 587 Cb 0.00 -0.31 -0.08 0.00 -3.10 0.00 0.00 33.47 29.98 3jx0 s TRP 587 CO 0.00 -0.47 1.09 0.71 -2.66 0.00 0.00 176.95 175.63 3jx0 s TYR 588 N -3.93 3.10 0.02 1.66 1.51 -1.26 -4.91 117.35 113.53 3jx0 s TYR 588 Ca 0.11 1.60 -0.22 0.00 -1.01 0.00 0.00 57.07 57.54 3jx0 s TYR 588 Cb 0.07 -3.22 -0.06 0.00 -0.11 0.00 0.00 41.96 38.64 3jx0 s TYR 588 CO -0.07 -0.98 0.66 1.41 -1.11 0.00 0.00 175.55 175.46 3jx0 s MET 589 N -2.62 4.38 0.27 -0.62 -2.45 -1.26 -1.71 119.30 115.29 3jx0 s MET 589 Ca 0.61 0.86 -0.01 0.00 -1.25 0.00 0.00 55.69 55.90 3jx0 s MET 589 Cb -0.24 -3.34 0.59 0.00 1.25 0.00 0.00 34.83 33.08 3jx0 s MET 589 CO 0.30 0.36 1.70 0.78 1.05 0.00 0.00 175.02 179.21 3jx0 h GLY 590 N 5.55 1.30 1.84 2.11 0.00 -1.19 -1.18 103.07 111.51 3jx0 h GLY 590 Ca -0.45 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 46.77 3jx0 h GLY 590 CO 0.70 -0.20 0.06 -0.91 0.00 0.00 0.00 176.54 176.19 3jx0 h THR 591 N 0.38 0.62 -0.97 4.70 1.35 -1.93 -1.13 112.91 115.93 3jx0 h THR 591 Ca 0.48 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.38 3jx0 h THR 591 Cb 0.85 0.95 -0.06 0.00 -1.73 0.00 0.00 68.15 68.17 3jx0 h THR 591 CO -0.49 0.00 0.64 -0.33 -0.25 0.00 0.00 175.52 175.08 3jx0 h GLU 592 N 0.00 1.19 0.00 4.72 5.08 -1.62 -0.39 114.58 123.55 3jx0 h GLU 592 Ca 0.03 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3jx0 h GLU 592 Cb 0.15 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3jx0 h GLU 592 CO -0.00 0.78 -0.46 0.82 -1.00 0.00 0.00 179.01 179.15 3jx0 h ILE 593 N 1.22 0.85 -0.05 3.13 2.04 -1.53 -2.20 117.51 120.97 3jx0 h ILE 593 Ca 0.39 -1.78 -0.16 0.00 1.00 0.00 0.00 64.86 64.31 3jx0 h ILE 593 Cb 0.02 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3jx0 h ILE 593 CO -0.12 0.29 -0.67 1.23 0.00 0.00 0.00 178.15 178.87 3jx0 h GLY 594 N -1.00 0.24 0.00 5.37 0.00 -1.21 -0.84 103.07 105.63 3jx0 h GLY 594 Ca -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3jx0 h GLY 594 CO -0.06 0.29 -0.44 -2.08 0.00 0.00 0.00 176.54 174.24 3jx0 h VAL 595 N 0.15 0.00 0.05 4.60 2.07 -1.30 -3.37 116.25 118.45 3jx0 h VAL 595 Ca -0.02 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 3jx0 h VAL 595 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3jx0 h VAL 595 CO 0.10 0.00 -0.02 0.03 0.02 0.00 0.00 177.57 177.70 3jx0 h ARG 596 N -0.90 -0.06 -0.70 1.57 2.47 -1.53 -1.54 114.38 113.68 3jx0 h ARG 596 Ca 0.00 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 3jx0 h ARG 596 Cb 0.44 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 3jx0 h ARG 596 CO 0.00 0.22 0.22 -0.91 0.56 0.00 0.00 179.97 180.06 3jx0 h ASN 597 N -1.00 1.00 0.23 7.04 2.35 -1.18 -2.05 115.58 121.97 3jx0 h ASN 597 Ca -0.01 -0.18 -0.35 0.00 -0.55 0.00 0.00 56.30 55.22 3jx0 h ASN 597 Cb 0.30 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3jx0 h ASN 597 CO 0.01 0.93 -1.85 1.88 -1.65 0.00 0.00 177.43 176.75 3jx0 h TYR 598 N 1.04 0.48 0.00 1.19 0.99 -1.31 -1.76 116.97 117.59 3jx0 h TYR 598 Ca 0.23 -0.35 0.00 0.00 2.00 0.00 0.00 58.73 60.61 3jx0 h TYR 598 Cb 0.28 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.99 3jx0 h TYR 598 CO 0.02 1.62 -1.09 0.00 -0.00 0.00 0.00 178.16 178.71 3jx0 n ASP 600 N -1.62 2.27 -0.02 0.00 9.92 -0.77 -4.65 116.55 121.68 3jx0 n ASP 600 Ca -0.00 1.17 0.04 0.00 -0.53 0.00 0.00 54.79 55.47 3jx0 n ASP 600 Cb 0.26 -1.43 0.41 0.00 -0.64 0.00 0.00 41.12 39.72 3jx0 n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3jx0 h ASN 601 N 2.27 0.50 -0.38 -2.24 2.35 -1.92 -2.40 115.58 113.76 3jx0 h ASN 601 Ca -0.45 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3jx0 h ASN 601 Cb 1.30 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.55 3jx0 h ASN 601 CO 0.61 0.36 0.00 -1.54 -1.65 0.00 0.00 177.43 175.22 3jx0 n SER 602 N -4.47 2.10 0.00 5.81 3.41 -1.26 -4.69 113.62 114.52 3jx0 n SER 602 Ca 0.04 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3jx0 n SER 602 Cb 0.06 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3jx0 n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jx0 n ARG 603 N 0.61 2.16 0.22 4.33 5.12 -0.91 -4.13 116.66 124.05 3jx0 n ARG 603 Ca 0.13 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.12 3jx0 n ARG 603 Cb 0.34 0.00 0.51 0.00 -1.16 0.00 0.00 32.46 32.15 3jx0 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jx0 h TYR 604 N 0.00 0.00 -5.74 -1.55 -1.99 -1.46 -3.41 116.97 102.82 3jx0 h TYR 604 Ca 0.00 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 60.40 3jx0 h TYR 604 Cb 0.00 0.00 0.15 0.00 2.00 0.00 0.00 36.73 38.88 3jx0 h TYR 604 CO 0.00 0.26 -0.84 -1.71 -0.00 0.00 0.00 178.16 175.86 3jx0 n ASN 605 N -3.78 -4.15 -0.55 3.88 5.15 0.14 -4.92 115.26 111.04 3jx0 n ASN 605 Ca -0.01 -0.75 0.13 0.00 -0.60 0.00 0.00 54.58 53.34 3jx0 n ASN 605 Cb 0.35 -4.71 0.28 0.00 -0.53 0.00 0.00 39.78 35.18 3jx0 n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3jx0 n ILE 606 N -3.81 0.00 -0.16 -1.44 -5.35 -0.11 -4.53 119.36 103.96 3jx0 n ILE 606 Ca -0.18 -0.29 -0.03 0.00 -0.27 0.00 0.00 62.75 61.98 3jx0 n ILE 606 Cb 0.64 0.88 0.03 0.00 -1.74 0.00 0.00 39.64 39.45 3jx0 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jx0 h LEU 607 N 2.70 -0.49 -0.01 7.28 3.38 -1.87 -1.63 115.31 124.66 3jx0 h LEU 607 Ca 0.00 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.16 3jx0 h LEU 607 Cb 0.68 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 3jx0 h LEU 607 CO 0.00 -0.17 -0.27 -0.33 0.09 0.00 0.00 178.44 177.75 3jx0 h GLU 608 N -0.01 -0.39 -0.73 1.13 5.08 -1.99 -0.86 114.58 116.81 3jx0 h GLU 608 Ca 0.24 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3jx0 h GLU 608 Cb 0.38 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 3jx0 h GLU 608 CO -0.52 -0.26 0.45 1.49 -1.00 0.00 0.00 179.01 179.17 3jx0 h GLU 609 N -0.41 0.97 -0.19 2.33 4.81 -1.67 -0.27 114.58 120.16 3jx0 h GLU 609 Ca 0.07 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 3jx0 h GLU 609 Cb 0.50 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3jx0 h GLU 609 CO -0.24 0.67 -0.52 0.28 -0.73 0.00 0.00 179.01 178.47 3jx0 h VAL 610 N 0.99 1.32 -0.24 0.32 2.07 -0.98 -2.52 116.25 117.22 3jx0 h VAL 610 Ca 0.26 -1.75 -0.10 0.00 0.82 0.00 0.00 66.70 65.93 3jx0 h VAL 610 Cb -0.06 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3jx0 h VAL 610 CO -0.05 0.55 -0.27 0.00 0.02 0.00 0.00 177.57 177.81 3jx0 h ALA 611 N 0.58 1.09 0.14 1.67 0.00 -0.78 -0.92 119.26 121.03 3jx0 h ALA 611 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3jx0 h ALA 611 Cb 1.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3jx0 h ALA 611 CO 0.11 0.56 -0.12 0.87 0.00 0.00 0.00 179.25 180.67 3jx0 h LYS 612 N 0.41 -0.27 0.00 0.00 1.57 -1.03 -2.04 116.57 115.21 3jx0 h LYS 612 Ca 0.06 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3jx0 h LYS 612 Cb 0.69 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 3jx0 h LYS 612 CO 0.05 -0.18 -0.10 0.87 -0.57 0.00 0.00 179.45 179.52 3jx0 h LYS 613 N -0.28 0.00 -0.01 3.15 1.79 -1.28 -1.83 116.57 118.12 3jx0 h LYS 613 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3jx0 h LYS 613 Cb 0.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 3jx0 h LYS 613 CO -0.03 0.10 -0.13 -1.33 -1.08 0.00 0.00 179.45 176.99 3jx0 n MET 614 N -3.59 0.79 -4.02 3.15 2.81 -0.36 -4.94 117.12 110.95 3jx0 n MET 614 Ca -0.02 -0.33 -0.32 0.00 -1.81 0.00 0.00 57.70 55.22 3jx0 n MET 614 Cb 0.23 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.25 3jx0 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jx0 n ASP 615 N -0.82 -4.16 -4.80 7.83 2.03 -0.69 -4.98 116.55 110.96 3jx0 n ASP 615 Ca 0.15 -0.87 -0.31 0.00 0.52 0.00 0.00 54.79 54.28 3jx0 n ASP 615 Cb 0.29 -3.48 0.06 0.00 -0.72 0.00 0.00 41.12 37.27 3jx0 n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jx0 s LEU 616 N -7.27 3.17 -0.34 -2.67 1.43 -0.99 -4.98 118.68 107.03 3jx0 s LEU 616 Ca 0.67 1.72 -0.29 0.00 -1.03 0.00 0.00 54.13 55.20 3jx0 s LEU 616 Cb -0.35 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.36 3jx0 s LEU 616 CO 0.87 -1.58 1.40 -0.62 0.23 0.00 0.00 176.35 176.65 3jx0 s ASP 617 N -3.49 6.47 0.00 2.29 3.68 -1.26 -4.88 116.67 119.48 3jx0 s ASP 617 Ca 0.60 1.08 0.15 0.00 2.13 0.00 0.00 52.55 56.51 3jx0 s ASP 617 Cb -0.15 -2.54 0.28 0.00 -1.45 0.00 0.00 42.92 39.05 3jx0 s ASP 617 CO 0.52 -1.28 1.17 0.23 0.13 0.00 0.00 175.17 175.95 3jx0 n MET 618 N 7.72 2.00 0.00 4.34 2.81 -1.26 -4.47 117.12 128.26 3jx0 n MET 618 Ca 0.16 -1.85 0.14 0.00 -1.81 0.00 0.00 57.70 54.34 3jx0 n MET 618 Cb 0.47 -1.34 0.55 0.00 -0.71 0.00 0.00 33.22 32.19 3jx0 n MET 618 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3jx0 n ARG 619 N 0.89 0.29 -3.72 0.03 1.74 -1.26 -4.76 116.66 109.88 3jx0 n ARG 619 Ca 0.13 -0.09 -0.12 0.00 -0.77 0.00 0.00 57.85 57.00 3jx0 n ARG 619 Cb 0.44 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.26 3jx0 n ARG 619 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3jx0 s LYS 620 N -2.77 0.26 0.56 5.56 -2.85 -1.26 -5.03 119.74 114.21 3jx0 s LYS 620 Ca 0.20 0.62 0.28 0.00 -1.00 0.00 0.00 55.97 56.07 3jx0 s LYS 620 Cb 0.19 -0.09 1.47 0.00 -2.06 0.00 0.00 37.83 37.34 3jx0 s LYS 620 CO 0.54 -0.17 1.95 1.79 0.10 0.00 0.00 175.35 179.57 3jx0 h THR 621 N 5.79 0.55 0.00 3.79 1.35 -1.91 -1.94 112.91 120.53 3jx0 h THR 621 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3jx0 h THR 621 Cb 1.16 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3jx0 h THR 621 CO 0.34 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.07 3jx0 n SER 622 N -4.08 0.00 0.00 5.36 3.41 -1.26 -0.99 113.62 116.07 3jx0 n SER 622 Ca 0.10 -0.12 0.12 0.00 -0.26 0.00 0.00 58.87 58.72 3jx0 n SER 622 Cb 0.67 -0.25 0.53 0.00 -0.26 0.00 0.00 64.21 64.90 3jx0 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jx0 n SER 623 N -1.25 0.03 -3.73 4.04 3.41 -0.73 -4.91 113.62 110.47 3jx0 n SER 623 Ca 0.12 0.50 -0.27 0.00 -0.26 0.00 0.00 58.87 58.96 3jx0 n SER 623 Cb 0.17 -0.51 0.05 0.00 -0.26 0.00 0.00 64.21 63.66 3jx0 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jx0 n LEU 624 N -1.53 -2.96 -0.13 1.04 4.77 -0.16 -4.88 117.00 113.15 3jx0 n LEU 624 Ca 0.06 -0.64 -0.02 0.00 -0.03 0.00 0.00 56.01 55.37 3jx0 n LEU 624 Cb 0.30 -2.80 0.20 0.00 -2.33 0.00 0.00 43.42 38.79 3jx0 n LEU 624 CO 0.23 0.55 1.00 4.11 -1.33 0.00 0.00 177.39 181.96 3jx0 h TRP 625 N -2.37 0.85 -0.20 -1.77 5.08 -1.80 -0.79 115.95 114.96 3jx0 h TRP 625 Ca -0.57 -0.07 -0.01 0.00 1.08 0.00 0.00 58.89 59.32 3jx0 h TRP 625 Cb 1.37 -0.25 -0.01 0.00 -3.00 0.00 0.00 29.16 27.27 3jx0 h TRP 625 CO 0.54 0.70 0.09 0.87 -1.28 0.00 0.00 178.44 179.35 3jx0 h LYS 626 N 0.81 0.30 -0.58 0.12 1.57 -1.89 -1.28 116.57 115.62 3jx0 h LYS 626 Ca 0.18 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3jx0 h LYS 626 Cb 0.25 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3jx0 h LYS 626 CO -0.01 0.34 0.17 -0.44 -0.57 0.00 0.00 179.45 178.94 3jx0 h ASP 627 N 0.19 0.82 0.10 0.86 5.19 -1.87 -0.22 116.42 121.48 3jx0 h ASP 627 Ca 0.07 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 3jx0 h ASP 627 Cb 0.15 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.44 3jx0 h ASP 627 CO -0.01 0.78 -0.05 1.56 -3.12 0.00 0.00 179.24 178.40 3jx0 h GLN 628 N 0.85 -0.13 -0.61 3.56 4.20 -0.94 -2.47 115.11 119.58 3jx0 h GLN 628 Ca 0.19 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.95 3jx0 h GLN 628 Cb 0.26 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 3jx0 h GLN 628 CO -0.01 0.17 0.35 0.00 -0.67 0.00 0.00 178.83 178.67 3jx0 h ALA 629 N 0.44 0.81 -0.57 3.87 0.00 -1.12 -2.84 119.26 119.83 3jx0 h ALA 629 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3jx0 h ALA 629 Cb 0.35 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3jx0 h ALA 629 CO 0.02 0.05 0.21 1.25 0.00 0.00 0.00 179.25 180.78 3jx0 h LEU 630 N 0.67 0.20 -0.43 0.00 5.85 -0.93 -0.64 115.31 120.04 3jx0 h LEU 630 Ca 0.26 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 3jx0 h LEU 630 Cb 0.11 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3jx0 h LEU 630 CO -0.15 0.13 0.23 0.58 -0.34 0.00 0.00 178.44 178.90 3jx0 h VAL 631 N 0.39 1.16 -0.43 1.05 2.07 -1.22 -2.54 116.25 116.74 3jx0 h VAL 631 Ca 0.29 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3jx0 h VAL 631 Cb 0.34 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3jx0 h VAL 631 CO -0.29 0.17 0.07 -0.33 0.02 0.00 0.00 177.57 177.21 3jx0 h GLU 632 N 0.56 0.65 -0.45 1.57 4.39 -1.06 -0.38 114.58 119.86 3jx0 h GLU 632 Ca 0.15 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 3jx0 h GLU 632 Cb 0.06 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3jx0 h GLU 632 CO -0.02 0.62 -0.10 0.82 -1.16 0.00 0.00 179.01 179.17 3jx0 h ILE 633 N 0.63 1.27 0.00 3.13 2.04 -1.06 -2.22 117.51 121.30 3jx0 h ILE 633 Ca 0.14 -1.21 -0.08 0.00 1.00 0.00 0.00 64.86 64.71 3jx0 h ILE 633 Cb 0.29 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3jx0 h ILE 633 CO 0.00 0.41 -0.39 0.78 0.00 0.00 0.00 178.15 178.96 3jx0 h ASN 634 N 0.69 0.00 -0.29 1.72 4.21 -1.01 -1.71 115.58 119.19 3jx0 h ASN 634 Ca 0.11 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.55 3jx0 h ASN 634 Cb 0.64 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.83 3jx0 h ASN 634 CO 0.04 0.39 -0.13 0.40 -1.29 0.00 0.00 177.43 176.84 3jx0 h ILE 635 N 0.00 1.29 -0.61 2.81 2.04 -0.87 -2.77 117.51 119.40 3jx0 h ILE 635 Ca -0.00 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 3jx0 h ILE 635 Cb 0.78 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 3jx0 h ILE 635 CO 0.05 0.39 0.27 0.00 0.00 0.00 0.00 178.15 178.86 3jx0 h ALA 636 N 0.75 0.79 -0.13 1.87 0.00 -1.19 -0.38 119.26 120.98 3jx0 h ALA 636 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3jx0 h ALA 636 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3jx0 h ALA 636 CO 0.04 0.38 0.08 0.28 0.00 0.00 0.00 179.25 180.03 3jx0 h VAL 637 N 0.84 1.02 -0.31 0.00 2.07 -1.29 0.28 116.25 118.86 3jx0 h VAL 637 Ca 0.21 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 3jx0 h VAL 637 Cb 0.15 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3jx0 h VAL 637 CO -0.02 0.03 -0.08 -0.07 0.02 0.00 0.00 177.57 177.45 3jx0 h LEU 638 N 0.16 0.61 -0.96 2.57 3.38 -1.31 -2.42 115.31 117.34 3jx0 h LEU 638 Ca 0.05 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.74 3jx0 h LEU 638 Cb -0.01 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 3jx0 h LEU 638 CO -0.02 0.84 0.60 0.22 0.09 0.00 0.00 178.44 180.17 3jx0 h TYR 639 N 0.38 1.11 0.02 1.13 3.20 -0.93 -1.64 116.97 120.23 3jx0 h TYR 639 Ca 0.08 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3jx0 h TYR 639 Cb 0.57 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3jx0 h TYR 639 CO 0.05 0.50 -0.01 0.77 -1.64 0.00 0.00 178.16 177.84 3jx0 h SER 640 N 1.03 -0.02 0.12 -2.11 0.02 -0.67 -1.12 113.55 110.79 3jx0 h SER 640 Ca 0.45 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3jx0 h SER 640 Cb 0.32 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3jx0 h SER 640 CO -0.22 0.33 -0.08 -0.26 -1.14 0.00 0.00 176.83 175.46 3jx0 h PHE 641 N -0.38 -0.20 -0.74 3.45 -1.00 -1.33 -1.50 116.94 115.24 3jx0 h PHE 641 Ca -0.00 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.87 3jx0 h PHE 641 Cb 0.36 0.07 -0.07 0.00 3.61 0.00 0.00 35.95 39.92 3jx0 h PHE 641 CO 0.04 -0.12 0.39 1.96 -1.61 0.00 0.00 178.31 178.97 3jx0 h GLN 642 N -0.19 0.64 -0.66 1.51 4.20 -1.32 0.87 115.11 120.16 3jx0 h GLN 642 Ca -0.01 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3jx0 h GLN 642 Cb 0.17 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3jx0 h GLN 642 CO 0.00 0.43 0.17 0.77 -0.67 0.00 0.00 178.83 179.53 3jx0 h SER 643 N 0.66 0.97 -0.13 1.46 0.02 -0.96 -1.93 113.55 113.64 3jx0 h SER 643 Ca 0.36 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3jx0 h SER 643 Cb 0.36 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3jx0 h SER 643 CO -0.26 0.93 0.00 0.47 -1.14 0.00 0.00 176.83 176.83 3jx0 n ASP 644 N -4.25 1.42 -3.63 3.07 8.00 -0.58 -4.94 116.55 115.63 3jx0 n ASP 644 Ca 0.05 -1.65 -0.24 0.00 0.71 0.00 0.00 54.79 53.67 3jx0 n ASP 644 Cb 0.24 -0.08 0.07 0.00 -0.02 0.00 0.00 41.12 41.33 3jx0 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jx0 n LYS 645 N 0.15 -7.11 -4.03 -1.24 5.02 0.13 -4.98 118.16 106.10 3jx0 n LYS 645 Ca 0.16 0.78 -0.35 0.00 -2.02 0.00 0.00 58.31 56.88 3jx0 n LYS 645 Cb 0.29 -5.77 -0.11 0.00 -0.02 0.00 0.00 35.03 29.42 3jx0 n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jx0 s VAL 646 N -3.35 4.34 0.25 -0.18 1.01 -0.22 -4.22 120.40 118.03 3jx0 s VAL 646 Ca 0.45 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.94 3jx0 s VAL 646 Cb -0.21 -2.97 -0.13 0.00 0.00 0.00 0.00 36.38 33.08 3jx0 s VAL 646 CO 0.75 0.42 1.54 0.41 0.00 0.00 0.00 175.10 178.22 3jx0 n THR 647 N 4.06 0.75 -3.57 3.92 -1.04 0.11 -4.22 114.28 114.28 3jx0 n THR 647 Ca -0.17 -0.19 -0.13 0.00 -2.04 0.00 0.00 64.05 61.53 3jx0 n THR 647 Cb 0.52 -1.72 -0.05 0.00 -1.82 0.00 0.00 70.33 67.26 3jx0 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jx0 s ILE 648 N 0.23 0.04 -0.03 12.58 2.07 -1.26 -4.38 121.20 130.44 3jx0 s ILE 648 Ca 0.69 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 59.64 3jx0 s ILE 648 Cb -0.58 -1.03 0.01 0.00 0.13 0.00 0.00 42.46 40.99 3jx0 s ILE 648 CO 0.46 -0.17 -0.07 0.54 -1.91 0.00 0.00 174.94 173.79 3jx0 s VAL 649 N -3.01 0.70 0.70 4.00 0.11 -0.69 -5.01 120.40 117.20 3jx0 s VAL 649 Ca -0.02 -0.28 -0.11 0.00 -2.93 0.00 0.00 61.98 58.64 3jx0 s VAL 649 Cb -0.00 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 3jx0 s VAL 649 CO -0.06 0.24 1.09 1.51 -3.33 0.00 0.00 175.10 174.55 3jx0 s ASP 650 N 0.47 5.50 0.47 3.54 -4.77 -1.26 -0.62 116.67 120.00 3jx0 s ASP 650 Ca -0.07 1.17 0.27 0.00 -3.30 0.00 0.00 52.55 50.61 3jx0 s ASP 650 Cb -0.11 -1.99 0.96 0.00 -1.09 0.00 0.00 42.92 40.69 3jx0 s ASP 650 CO 0.01 -1.31 1.83 1.12 0.70 0.00 0.00 175.17 177.52 3jx0 h HIS 651 N -0.63 0.00 0.33 2.11 2.07 -1.98 -1.29 115.15 115.75 3jx0 h HIS 651 Ca -0.45 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.06 3jx0 h HIS 651 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 3jx0 h HIS 651 CO 0.52 0.14 -0.16 0.45 -3.07 0.00 0.00 177.93 175.81 3jx0 h HIS 652 N 0.00 -0.41 -0.32 6.12 3.86 -1.96 -2.38 115.15 120.06 3jx0 h HIS 652 Ca -0.00 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.26 3jx0 h HIS 652 Cb 0.73 0.14 -0.05 0.00 1.06 0.00 0.00 27.41 29.29 3jx0 h HIS 652 CO 0.00 -0.09 -0.00 1.03 0.86 0.00 0.00 177.93 179.72 3jx0 h SER 653 N -0.97 -0.13 -0.67 2.45 0.87 -1.95 -0.61 113.55 112.53 3jx0 h SER 653 Ca -0.05 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3jx0 h SER 653 Cb 0.51 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 3jx0 h SER 653 CO 0.08 -0.03 0.30 0.00 -0.53 0.00 0.00 176.83 176.65 3jx0 h ALA 654 N 1.28 1.22 -0.02 6.23 0.00 -1.33 -1.21 119.26 125.43 3jx0 h ALA 654 Ca 0.15 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 3jx0 h ALA 654 Cb 0.21 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.74 3jx0 h ALA 654 CO -0.26 0.58 -0.99 1.79 0.00 0.00 0.00 179.25 180.37 3jx0 h THR 655 N 0.99 1.30 -0.77 0.00 1.35 -1.12 -2.00 112.91 112.66 3jx0 h THR 655 Ca 0.24 -2.24 0.03 0.00 -0.55 0.00 0.00 66.41 63.89 3jx0 h THR 655 Cb 0.15 2.33 -0.05 0.00 -1.73 0.00 0.00 68.15 68.85 3jx0 h THR 655 CO -0.03 0.69 0.49 -0.08 -0.25 0.00 0.00 175.52 176.35 3jx0 h GLU 656 N 0.38 0.92 -0.23 4.72 4.81 -0.83 -2.17 114.58 122.19 3jx0 h GLU 656 Ca -0.11 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 58.91 3jx0 h GLU 656 Cb 1.63 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 3jx0 h GLU 656 CO 0.19 0.61 -0.50 0.66 -0.73 0.00 0.00 179.01 179.24 3jx0 h SER 657 N 0.95 0.68 -0.85 1.04 4.64 -1.22 -2.74 113.55 116.05 3jx0 h SER 657 Ca 0.31 -0.34 0.08 0.00 -0.47 0.00 0.00 61.79 61.37 3jx0 h SER 657 Cb 0.02 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 61.85 3jx0 h SER 657 CO -0.12 1.06 0.51 0.15 -0.87 0.00 0.00 176.83 177.57 3jx0 h PHE 658 N 0.49 0.94 -0.49 4.77 3.57 -1.01 0.61 116.94 125.81 3jx0 h PHE 658 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3jx0 h PHE 658 Cb 1.05 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 3jx0 h PHE 658 CO 0.05 0.42 0.26 0.82 -2.23 0.00 0.00 178.31 177.63 3jx0 h ILE 659 N 0.89 1.18 -0.34 1.41 1.08 -1.20 0.20 117.51 120.73 3jx0 h ILE 659 Ca 0.40 -0.47 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 3jx0 h ILE 659 Cb 0.29 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 3jx0 h ILE 659 CO -0.22 0.19 0.19 0.11 -0.69 0.00 0.00 178.15 177.74 3jx0 h LYS 660 N 0.65 0.47 -0.28 2.37 1.57 -1.15 -1.33 116.57 118.87 3jx0 h LYS 660 Ca 0.17 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3jx0 h LYS 660 Cb 0.08 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.24 3jx0 h LYS 660 CO -0.03 0.39 -0.08 1.25 -0.57 0.00 0.00 179.45 180.41 3jx0 h HIS 661 N 0.43 -0.18 -0.39 -1.35 2.76 -0.72 -1.40 115.15 114.29 3jx0 h HIS 661 Ca 0.12 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3jx0 h HIS 661 Cb 0.05 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 3jx0 h HIS 661 CO -0.03 -0.14 0.25 1.98 -1.30 0.00 0.00 177.93 178.69 3jx0 h MET 662 N -0.02 0.51 -0.62 5.26 1.85 -0.20 0.15 114.93 121.87 3jx0 h MET 662 Ca 0.14 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.18 3jx0 h MET 662 Cb 0.23 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.12 3jx0 h MET 662 CO -0.30 0.35 0.31 0.93 -0.40 0.00 0.00 176.91 177.79 3jx0 h GLU 663 N 0.52 0.88 -0.54 0.39 5.08 -1.09 -1.48 114.58 118.35 3jx0 h GLU 663 Ca 0.14 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3jx0 h GLU 663 Cb -0.05 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 3jx0 h GLU 663 CO -0.03 0.69 0.35 -0.97 -1.00 0.00 0.00 179.01 178.05 3jx0 h ASN 664 N 0.84 0.60 -0.64 1.42 -0.00 -0.47 -1.72 115.58 115.61 3jx0 h ASN 664 Ca 0.21 -0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.49 3jx0 h ASN 664 Cb 0.09 -0.15 -0.03 0.00 -0.00 0.00 0.00 38.32 38.23 3jx0 h ASN 664 CO -0.03 0.44 0.36 -0.33 -0.00 0.00 0.00 177.43 177.87 3jx0 h GLU 665 N 0.72 0.91 -0.11 6.67 4.39 -0.35 -0.72 114.58 126.08 3jx0 h GLU 665 Ca 0.20 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3jx0 h GLU 665 Cb -0.07 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.39 3jx0 h GLU 665 CO -0.05 0.67 0.04 1.88 -1.16 0.00 0.00 179.01 180.38 3jx0 h TYR 666 N 0.92 0.18 -0.61 4.33 -1.99 -0.97 0.37 116.97 119.20 3jx0 h TYR 666 Ca 0.23 -0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.88 3jx0 h TYR 666 Cb 0.02 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 38.67 3jx0 h TYR 666 CO 0.01 0.30 0.09 0.00 -0.00 0.00 0.00 178.16 178.56 3jx0 h ARG 667 N -0.00 0.99 0.00 4.88 3.08 -0.83 -0.97 114.38 121.53 3jx0 h ARG 667 Ca 0.04 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3jx0 h ARG 667 Cb 0.21 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3jx0 h ARG 667 CO -0.00 0.91 -1.31 0.00 -1.07 0.00 0.00 179.97 178.50 3jx0 n ARG 669 N -1.77 2.05 -0.58 0.00 0.63 0.13 -5.02 116.66 112.10 3jx0 n ARG 669 Ca -0.01 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3jx0 n ARG 669 Cb 0.33 -0.86 0.00 0.00 0.45 0.00 0.00 32.46 32.38 3jx0 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jx0 n GLY 670 N 2.04 0.71 0.00 5.14 0.00 -0.37 -4.58 105.19 108.13 3jx0 n GLY 670 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3jx0 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx0 n GLY 671 N -2.58 1.92 2.80 -0.02 0.00 -1.15 0.45 105.19 106.60 3jx0 n GLY 671 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 3jx0 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx0 s PRO 673 N 2.36 4.14 -0.16 0.00 0.04 -1.26 -4.62 135.00 135.49 3jx0 s PRO 673 Ca 0.10 2.55 -0.11 0.00 0.04 0.00 0.00 61.00 63.57 3jx0 s PRO 673 Cb -0.14 -3.03 0.05 0.00 0.04 0.00 0.00 34.50 31.42 3jx0 s PRO 673 CO -0.31 -0.60 0.40 0.00 0.04 0.00 0.00 177.00 176.53 3jx0 s ALA 674 N -0.08 -1.01 -0.43 8.56 0.00 -0.19 -4.34 121.76 124.27 3jx0 s ALA 674 Ca 0.62 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.78 3jx0 s ALA 674 Cb -0.47 -0.79 0.07 0.00 0.00 0.00 0.00 23.12 21.94 3jx0 s ALA 674 CO 0.48 -0.23 0.30 0.34 0.00 0.00 0.00 175.76 176.66 3jx0 s ASP 675 N 0.80 5.82 0.19 0.00 -1.08 0.19 -3.53 116.67 119.07 3jx0 s ASP 675 Ca -0.05 -1.41 -0.12 0.00 -0.52 0.00 0.00 52.55 50.45 3jx0 s ASP 675 Cb -0.06 -2.06 0.11 0.00 -1.46 0.00 0.00 42.92 39.46 3jx0 s ASP 675 CO -0.06 -0.57 1.85 -0.25 0.52 0.00 0.00 175.17 176.66 3jx0 h TRP 676 N 8.53 0.83 -1.01 -5.34 7.01 -1.92 0.85 115.95 124.91 3jx0 h TRP 676 Ca -0.25 0.01 0.23 0.00 2.11 0.00 0.00 58.89 61.00 3jx0 h TRP 676 Cb 1.09 -0.28 -0.10 0.00 -2.10 0.00 0.00 29.16 27.78 3jx0 h TRP 676 CO 0.62 0.54 0.63 0.28 -2.79 0.00 0.00 178.44 177.72 3jx0 h VAL 677 N 0.88 0.60 0.05 2.65 2.07 -1.93 -1.67 116.25 118.90 3jx0 h VAL 677 Ca 0.24 -0.18 -0.36 0.00 0.82 0.00 0.00 66.70 67.22 3jx0 h VAL 677 Cb -0.07 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.68 3jx0 h VAL 677 CO -0.05 0.10 -2.09 0.79 0.02 0.00 0.00 177.57 176.33 3jx0 n TRP 678 N -4.69 0.77 -0.17 1.57 7.02 -0.72 -4.44 117.44 116.77 3jx0 n TRP 678 Ca 0.24 0.19 -0.11 0.00 -1.02 0.00 0.00 57.50 56.81 3jx0 n TRP 678 Cb 0.75 -1.11 0.00 0.00 -2.42 0.00 0.00 31.31 28.53 3jx0 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jx0 h ILE 679 N 0.03 1.27 -2.82 -0.99 1.08 -0.45 -3.43 117.51 112.20 3jx0 h ILE 679 Ca -0.45 -1.32 -0.54 0.00 -0.39 0.00 0.00 64.86 62.17 3jx0 h ILE 679 Cb 2.03 1.06 0.01 0.00 -3.07 0.00 0.00 36.82 36.84 3jx0 h ILE 679 CO 0.04 0.46 0.90 -0.69 -0.69 0.00 0.00 178.15 178.17 3jx0 s VAL 680 N -4.76 3.43 0.80 1.67 1.01 -0.67 -4.93 120.40 116.95 3jx0 s VAL 680 Ca -0.12 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 3jx0 s VAL 680 Cb 0.12 -3.54 0.07 0.00 0.00 0.00 0.00 36.38 33.03 3jx0 s VAL 680 CO 0.86 -0.00 1.12 -2.84 0.00 0.00 0.00 175.10 174.24 3jx0 s PRO 681 N 2.48 1.95 -0.00 2.72 0.02 -1.26 -4.91 135.00 135.99 3jx0 s PRO 681 Ca 0.68 1.35 0.09 0.00 0.02 0.00 0.00 61.00 63.14 3jx0 s PRO 681 Cb -0.35 -1.85 0.26 0.00 0.02 0.00 0.00 34.50 32.58 3jx0 s PRO 681 CO 0.29 -1.90 1.21 -0.35 -0.33 0.00 0.00 177.00 175.92 3jx0 n PRO 682 N -3.53 1.69 -4.11 5.54 -0.04 -1.26 -4.30 135.00 128.98 3jx0 n PRO 682 Ca 0.10 -1.05 -0.10 0.00 -0.04 0.00 0.00 63.50 62.42 3jx0 n PRO 682 Cb 0.52 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.64 3jx0 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jx0 s MET 683 N -1.61 0.67 -1.23 0.54 0.23 -1.26 -4.94 119.30 111.70 3jx0 s MET 683 Ca 0.19 -1.13 -0.01 0.00 -1.03 0.00 0.00 55.69 53.72 3jx0 s MET 683 Cb 0.10 -0.10 0.01 0.00 -1.53 0.00 0.00 34.83 33.31 3jx0 s MET 683 CO 0.13 -0.03 0.09 0.43 -2.03 0.00 0.00 175.02 173.61 3jx0 n SER 684 N 0.45 -4.37 -0.31 -1.18 7.64 -1.26 -4.85 113.62 109.74 3jx0 n SER 684 Ca -0.16 0.07 -0.10 0.00 1.01 0.00 0.00 58.87 59.69 3jx0 n SER 684 Cb 0.59 -3.67 -0.07 0.00 -1.01 0.00 0.00 64.21 60.05 3jx0 n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3jx0 h GLY 685 N -0.18 -0.72 1.78 0.23 0.00 -1.92 -2.12 103.07 100.13 3jx0 h GLY 685 Ca -0.36 0.71 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3jx0 h GLY 685 CO 0.42 -0.06 0.00 -1.14 0.00 0.00 0.00 176.54 175.76 3jx0 n SER 686 N -5.33 0.00 -0.59 0.19 3.41 -1.26 -2.26 113.62 107.77 3jx0 n SER 686 Ca 0.01 0.19 0.11 0.00 -0.26 0.00 0.00 58.87 58.92 3jx0 n SER 686 Cb 0.31 -0.39 0.36 0.00 -0.26 0.00 0.00 64.21 64.23 3jx0 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jx0 n ILE 687 N -1.39 0.23 -4.11 -1.33 -5.35 -0.80 -4.78 119.36 101.83 3jx0 n ILE 687 Ca 0.09 -0.37 -0.34 0.00 -0.27 0.00 0.00 62.75 61.87 3jx0 n ILE 687 Cb 0.26 0.42 -0.07 0.00 -1.74 0.00 0.00 39.64 38.50 3jx0 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jx0 s THR 688 N -1.77 4.75 0.08 7.28 -4.23 -0.96 -5.03 115.64 115.75 3jx0 s THR 688 Ca 0.33 -0.33 0.30 0.00 -1.18 0.00 0.00 61.69 60.80 3jx0 s THR 688 Cb 0.18 -3.14 0.34 0.00 1.34 0.00 0.00 72.50 71.22 3jx0 s THR 688 CO 0.27 0.40 1.92 1.55 -0.54 0.00 0.00 174.62 178.22 3jx0 h PRO 689 N 4.30 0.00 -0.22 3.99 0.13 -1.86 -2.96 132.00 135.38 3jx0 h PRO 689 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 3jx0 h PRO 689 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3jx0 h PRO 689 CO 0.61 0.06 0.06 -0.39 -0.23 0.00 0.00 178.00 178.11 3jx0 h VAL 690 N 0.00 1.11 -0.77 1.56 -1.51 -1.88 -2.71 116.25 112.04 3jx0 h VAL 690 Ca -0.00 -0.38 0.14 0.00 -1.23 0.00 0.00 66.70 65.23 3jx0 h VAL 690 Cb 0.61 0.88 -0.05 0.00 -2.13 0.00 0.00 31.29 30.60 3jx0 h VAL 690 CO 0.01 0.14 0.51 0.15 -1.23 0.00 0.00 177.57 177.15 3jx0 h PHE 691 N 0.31 0.56 -0.01 5.19 3.57 -1.71 -0.71 116.94 124.14 3jx0 h PHE 691 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3jx0 h PHE 691 Cb 0.12 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3jx0 h PHE 691 CO 0.00 0.22 -0.14 0.72 -2.23 0.00 0.00 178.31 176.88 3jx0 n HIS 692 N -4.49 0.00 -3.36 0.41 8.25 -1.03 -4.83 115.22 110.17 3jx0 n HIS 692 Ca 0.14 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.20 3jx0 n HIS 692 Cb 0.49 -0.05 -0.09 0.00 1.12 0.00 0.00 29.99 31.47 3jx0 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jx0 s GLN 693 N -2.23 3.67 0.36 -0.41 2.00 -0.28 -1.19 119.66 121.59 3jx0 s GLN 693 Ca 0.30 -0.26 -0.28 0.00 -2.00 0.00 0.00 55.36 53.11 3jx0 s GLN 693 Cb 0.20 -3.77 -0.11 0.00 0.80 0.00 0.00 33.01 30.13 3jx0 s GLN 693 CO 0.42 -0.50 1.39 -1.21 -0.50 0.00 0.00 175.29 174.90 3jx0 s GLU 694 N 2.11 4.22 0.04 1.67 2.02 -0.67 -5.00 118.70 123.10 3jx0 s GLU 694 Ca 0.14 2.39 0.01 0.00 0.02 0.00 0.00 54.97 57.53 3jx0 s GLU 694 Cb -0.16 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.04 3jx0 s GLU 694 CO 0.12 -0.37 -0.06 -1.64 0.02 0.00 0.00 175.26 173.33 3jx0 s MET 695 N -1.96 0.52 -0.13 1.61 -1.94 -1.26 -4.61 119.30 111.53 3jx0 s MET 695 Ca 0.51 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.68 3jx0 s MET 695 Cb -0.43 -0.15 -0.01 0.00 2.01 0.00 0.00 34.83 36.25 3jx0 s MET 695 CO 0.58 0.01 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.91 3jx0 s LEU 696 N -1.81 2.44 -0.19 -0.03 1.43 -1.25 -4.94 118.68 114.31 3jx0 s LEU 696 Ca -0.08 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 3jx0 s LEU 696 Cb -0.07 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 3jx0 s LEU 696 CO -0.01 0.14 0.01 0.21 0.23 0.00 0.00 176.35 176.92 3jx0 s ASN 697 N 0.51 4.98 0.22 2.29 3.04 -1.23 -1.02 114.94 123.72 3jx0 s ASN 697 Ca -0.11 -0.14 -0.20 0.00 0.04 0.00 0.00 52.86 52.44 3jx0 s ASN 697 Cb -0.16 -1.85 0.03 0.00 -1.54 0.00 0.00 41.25 37.73 3jx0 s ASN 697 CO 0.05 0.09 0.61 -0.72 -3.04 0.00 0.00 177.10 174.09 3jx0 s TYR 698 N 0.84 -0.23 -0.32 0.43 -0.85 -1.26 -4.96 117.35 111.01 3jx0 s TYR 698 Ca 0.01 -0.13 -0.06 0.00 -0.52 0.00 0.00 57.07 56.38 3jx0 s TYR 698 Cb -0.14 0.54 0.03 0.00 0.38 0.00 0.00 41.96 42.76 3jx0 s TYR 698 CO 0.02 -1.02 0.08 1.03 -1.52 0.00 0.00 175.55 174.14 3jx0 s ARG 699 N -3.87 2.76 0.07 -3.49 0.52 -1.26 -4.80 118.95 108.89 3jx0 s ARG 699 Ca 0.08 -1.07 0.02 0.00 -0.52 0.00 0.00 55.73 54.24 3jx0 s ARG 699 Cb -0.03 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 3jx0 s ARG 699 CO -0.01 -0.57 0.14 -0.51 0.02 0.00 0.00 175.30 174.36 3jx0 s LEU 700 N 1.42 4.07 0.09 2.53 1.43 -1.26 -3.67 118.68 123.28 3jx0 s LEU 700 Ca -0.01 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 3jx0 s LEU 700 Cb -0.19 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 3jx0 s LEU 700 CO 0.02 0.17 0.02 0.42 0.23 0.00 0.00 176.35 177.21 3jx0 s THR 701 N -1.45 4.17 0.88 5.49 -4.23 -1.26 -4.21 115.64 115.03 3jx0 s THR 701 Ca 0.32 -0.92 -0.11 0.00 -1.18 0.00 0.00 61.69 59.79 3jx0 s THR 701 Cb -0.13 -3.00 0.12 0.00 1.34 0.00 0.00 72.50 70.84 3jx0 s THR 701 CO 0.25 0.12 1.17 -2.84 -0.54 0.00 0.00 174.62 172.78 3jx0 s PRO 702 N -2.34 1.22 0.05 3.99 0.02 -1.26 -5.01 135.00 131.67 3jx0 s PRO 702 Ca 0.27 1.65 -0.19 0.00 0.02 0.00 0.00 61.00 62.75 3jx0 s PRO 702 Cb -0.12 -1.74 0.04 0.00 0.02 0.00 0.00 34.50 32.70 3jx0 s PRO 702 CO 0.19 -2.50 0.44 -1.54 -0.33 0.00 0.00 177.00 173.26 3jx0 s SER 703 N -2.44 -0.32 -0.17 2.53 1.04 -0.76 -3.86 113.70 109.71 3jx0 s SER 703 Ca 0.70 0.02 -0.14 0.00 0.48 0.00 0.00 55.95 57.01 3jx0 s SER 703 Cb -0.25 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 3jx0 s SER 703 CO 0.55 -0.69 0.28 -0.36 0.98 0.00 0.00 173.24 174.01 3jx0 s PHE 704 N -2.55 3.44 0.25 5.02 0.40 -1.26 -0.86 117.98 122.41 3jx0 s PHE 704 Ca -0.05 0.55 0.11 0.00 -0.60 0.00 0.00 56.93 56.94 3jx0 s PHE 704 Cb -0.01 -2.35 -0.05 0.00 0.51 0.00 0.00 43.02 41.13 3jx0 s PHE 704 CO -0.03 0.20 -0.20 -1.21 0.70 0.00 0.00 175.22 174.68 3jx0 s GLU 705 N 0.60 1.57 0.64 0.44 0.41 0.28 -4.94 118.70 117.71 3jx0 s GLU 705 Ca 0.16 -1.68 -0.11 0.00 -0.41 0.00 0.00 54.97 52.93 3jx0 s GLU 705 Cb -0.13 -1.65 -0.03 0.00 -1.78 0.00 0.00 34.13 30.54 3jx0 s GLU 705 CO 0.04 0.32 1.04 0.71 -0.49 0.00 0.00 175.26 176.87 3jx0 s TYR 706 N -2.41 3.49 0.03 1.61 1.51 -1.26 -0.82 117.35 119.50 3jx0 s TYR 706 Ca 0.26 1.31 -0.07 0.00 -1.01 0.00 0.00 57.07 57.56 3jx0 s TYR 706 Cb -0.05 -2.78 -0.01 0.00 -0.11 0.00 0.00 41.96 39.02 3jx0 s TYR 706 CO 0.12 -0.85 0.12 1.14 -1.11 0.00 0.00 175.55 174.98 3jx0 s GLN 707 N -5.16 0.57 0.58 -0.62 -2.07 -1.26 -4.76 119.66 106.94 3jx0 s GLN 707 Ca 0.56 -0.63 -0.20 0.00 -1.82 0.00 0.00 55.36 53.27 3jx0 s GLN 707 Cb -0.12 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.00 3jx0 s GLN 707 CO 0.54 -0.15 1.28 -2.14 -1.32 0.00 0.00 175.29 173.50 3jx0 s PRO 708 N -2.22 2.99 0.29 9.60 0.02 -1.26 -4.91 135.00 139.51 3jx0 s PRO 708 Ca -0.08 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 62.66 3jx0 s PRO 708 Cb -0.03 -2.06 -0.12 0.00 0.02 0.00 0.00 34.50 32.31 3jx0 s PRO 708 CO -0.03 -1.24 1.55 -0.25 -0.33 0.00 0.00 177.00 176.71 3jx0 n ASP 709 N -1.39 3.67 0.23 2.53 8.00 -1.26 -4.88 116.55 123.46 3jx0 n ASP 709 Ca 0.13 1.16 0.10 0.00 0.71 0.00 0.00 54.79 56.88 3jx0 n ASP 709 Cb 0.48 -1.57 0.57 0.00 -0.02 0.00 0.00 41.12 40.57 3jx0 n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3jx0 h PRO 710 N 4.49 0.00 0.00 -0.24 0.14 -1.91 -1.63 132.00 132.84 3jx0 h PRO 710 Ca -0.47 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.67 3jx0 h PRO 710 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.37 3jx0 h PRO 710 CO 0.77 0.21 0.00 0.11 0.14 0.00 0.00 178.00 179.23 3jx0 h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.94 0.21 115.95 115.86 3jx0 h TRP 711 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 58.89 58.81 3jx0 h TRP 711 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 29.76 3jx0 h TRP 711 CO 0.00 0.00 -0.88 -0.91 0.09 0.00 0.00 178.44 176.74 3jx0 h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.66 -3.39 115.58 112.98 3jx0 h ASN 712 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3jx0 h ASN 712 Cb 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3jx0 h ASN 712 CO 0.00 0.78 -1.47 0.35 -1.65 0.00 0.00 177.43 175.45 3jx0 n THR 713 N -3.25 0.36 -1.71 2.81 -2.24 -0.78 -5.03 114.28 104.42 3jx0 n THR 713 Ca -0.01 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 3jx0 n THR 713 Cb 0.86 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 3jx0 n THR 713 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3jx0 n HIS 714 N -2.13 2.62 -3.27 4.78 -0.00 0.66 -4.96 115.22 112.93 3jx0 n HIS 714 Ca -0.09 0.24 -0.42 0.00 -0.00 0.00 0.00 57.72 57.45 3jx0 n HIS 714 Cb 0.58 -2.58 -0.08 0.00 -0.00 0.00 0.00 29.99 27.91 3jx0 n HIS 714 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3jx0 s VAL 715 N 0.36 5.03 0.16 3.57 1.01 -1.26 -5.00 120.40 124.27 3jx0 s VAL 715 Ca 0.69 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 3jx0 s VAL 715 Cb -0.55 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 3jx0 s VAL 715 CO 0.44 -0.31 1.08 0.26 0.00 0.00 0.00 175.10 176.57 3jx0 s TRP 716 N 2.32 3.62 -2.34 5.22 0.52 -1.26 -4.88 118.94 122.15 3jx0 s TRP 716 Ca 0.16 1.61 0.29 0.00 0.02 0.00 0.00 56.10 58.19 3jx0 s TRP 716 Cb -0.16 -3.25 1.33 0.00 -1.15 0.00 0.00 33.47 30.24 3jx0 s TRP 716 CO 0.14 -0.52 1.90 1.63 0.02 0.00 0.00 176.95 180.12