#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x6j n SER 292 N 0.00 2.74 -0.30 0.00 7.64 -1.26 -4.58 113.62 117.87 2x6j n SER 292 Ca 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2x6j n SER 292 Cb 0.00 0.49 0.19 0.00 -1.01 0.00 0.00 64.21 63.88 2x6j n SER 292 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2x6j h ILE 293 N 0.00 1.19 -0.76 0.44 2.04 -2.06 -1.57 117.51 116.79 2x6j h ILE 293 Ca -0.26 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.24 2x6j h ILE 293 Cb 1.55 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2x6j h ILE 293 CO -0.00 0.21 0.50 0.08 0.00 0.00 0.00 178.15 178.94 2x6j h ARG 294 N 1.16 0.87 -0.16 2.37 0.11 -2.01 -0.50 114.38 116.22 2x6j h ARG 294 Ca 0.34 -0.05 -0.10 0.00 0.10 0.00 0.00 59.98 60.26 2x6j h ARG 294 Cb -0.07 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 30.80 2x6j h ARG 294 CO -0.09 0.57 -0.34 0.22 0.10 0.00 0.00 179.97 180.44 2x6j h ASP 295 N 0.89 0.34 0.69 0.08 3.58 -1.53 -2.72 116.42 117.75 2x6j h ASP 295 Ca 0.31 -0.13 -0.26 0.00 0.42 0.00 0.00 57.03 57.37 2x6j h ASP 295 Cb 0.11 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2x6j h ASP 295 CO -0.10 0.66 -1.31 1.56 -2.88 0.00 0.00 179.24 177.17 2x6j h GLN 296 N 0.28 0.12 -0.06 0.28 4.20 -1.05 -2.11 115.11 116.76 2x6j h GLN 296 Ca 0.03 -0.20 -0.15 0.00 0.06 0.00 0.00 58.65 58.40 2x6j h GLN 296 Cb 0.74 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 2x6j h GLN 296 CO 0.06 0.98 -0.61 1.37 -0.67 0.00 0.00 178.83 179.96 2x6j h LEU 297 N 0.03 0.26 -0.54 1.46 -0.00 -1.32 -2.13 115.31 113.07 2x6j h LEU 297 Ca -0.14 -0.15 -0.13 0.00 -0.00 0.00 0.00 57.88 57.46 2x6j h LEU 297 Cb 1.92 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 42.49 2x6j h LEU 297 CO 0.14 0.80 -0.25 0.45 -0.00 0.00 0.00 178.44 179.59 2x6j h HIS 298 N 0.17 1.05 -0.58 0.17 3.86 -1.46 -3.09 115.15 115.27 2x6j h HIS 298 Ca -0.01 -0.26 -0.03 0.00 -1.16 0.00 0.00 60.37 58.91 2x6j h HIS 298 Cb 1.11 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 29.31 2x6j h HIS 298 CO 0.02 1.06 0.24 0.00 0.86 0.00 0.00 177.93 180.11 2x6j h THR 299 N 0.78 1.21 -0.18 2.45 1.03 -0.71 0.23 112.91 117.72 2x6j h THR 299 Ca 0.10 -0.64 -0.06 0.00 -0.01 0.00 0.00 66.41 65.80 2x6j h THR 299 Cb 0.81 0.51 -0.01 0.00 -1.07 0.00 0.00 68.15 68.38 2x6j h THR 299 CO 0.07 0.26 -0.14 0.40 -0.01 0.00 0.00 175.52 176.09 2x6j h ILE 300 N 0.83 1.20 0.09 0.00 1.08 -1.42 -2.68 117.51 116.61 2x6j h ILE 300 Ca 0.20 -0.88 -0.32 0.00 -0.39 0.00 0.00 64.86 63.47 2x6j h ILE 300 Cb 0.15 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 2x6j h ILE 300 CO -0.02 0.28 -1.73 0.58 -0.69 0.00 0.00 178.15 176.56 2x6j h VAL 301 N 0.28 0.89 0.00 1.67 2.07 -0.54 -3.21 116.25 117.42 2x6j h VAL 301 Ca 0.05 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.96 2x6j h VAL 301 Cb 0.42 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2x6j h VAL 301 CO 0.03 0.76 -1.07 0.00 0.02 0.00 0.00 177.57 177.30 2x6j n TYR 302 N -3.35 0.23 -2.14 1.57 4.11 -0.35 -4.39 117.16 112.83 2x6j n TYR 302 Ca -0.22 0.07 0.03 0.00 -0.00 0.00 0.00 57.90 57.79 2x6j n TYR 302 Cb 1.05 -0.41 0.05 0.00 -0.00 0.00 0.00 39.34 40.03 2x6j n TYR 302 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 2x6j n ARG 303 N -1.94 0.28 0.00 -3.48 0.00 -1.01 -4.31 116.66 106.20 2x6j n ARG 303 Ca 0.02 -1.91 0.00 0.00 -0.00 0.00 0.00 57.85 55.96 2x6j n ARG 303 Cb 0.43 -0.45 0.00 0.00 0.00 0.00 0.00 32.46 32.44 2x6j n ARG 303 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2x6j n TYR 304 N 0.02 0.00 -4.95 -0.14 0.53 -1.21 -4.93 117.16 106.48 2x6j n TYR 304 Ca 0.07 0.00 -0.27 0.00 -1.02 0.00 0.00 57.90 56.67 2x6j n TYR 304 Cb 0.93 0.16 -0.16 0.00 -1.03 0.00 0.00 39.34 39.24 2x6j n TYR 304 CO 0.00 0.00 0.00 -1.25 -1.02 0.00 0.00 176.86 174.59 2x6j s PRO 305 N -0.87 1.89 -0.04 -0.72 0.04 -1.26 -4.93 135.00 129.11 2x6j s PRO 305 Ca 0.00 -0.69 0.15 0.00 0.04 0.00 0.00 61.00 60.50 2x6j s PRO 305 Cb 0.00 -1.67 -0.21 0.00 0.04 0.00 0.00 34.50 32.66 2x6j s PRO 305 CO 0.00 0.32 0.62 -0.35 0.04 0.00 0.00 177.00 177.62 2x6j n PRO 306 N 2.97 0.64 0.12 0.56 -0.04 -1.26 -4.24 135.00 133.74 2x6j n PRO 306 Ca -0.17 0.22 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2x6j n PRO 306 Cb 0.53 -1.75 -0.01 0.00 -0.04 0.00 0.00 33.50 32.23 2x6j n PRO 306 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2x6j h THR 307 N 0.00 0.95 -1.58 0.52 1.35 -1.97 -3.46 112.91 108.73 2x6j h THR 307 Ca -0.28 -2.37 -0.69 0.00 -0.55 0.00 0.00 66.41 62.52 2x6j h THR 307 Cb 1.90 2.45 0.01 0.00 -1.73 0.00 0.00 68.15 70.77 2x6j h THR 307 CO 0.06 0.54 1.07 -1.22 -0.25 0.00 0.00 175.52 175.72 2x6j n TYR 308 N -3.21 2.04 1.71 4.73 0.53 -1.26 -4.75 117.16 116.95 2x6j n TYR 308 Ca 0.01 0.33 0.15 0.00 -1.02 0.00 0.00 57.90 57.37 2x6j n TYR 308 Cb 0.78 -2.53 0.85 0.00 -1.03 0.00 0.00 39.34 37.40 2x6j n TYR 308 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 2x6j n VAL 309 N 5.31 0.01 -0.33 -0.72 0.31 -1.26 -4.56 118.33 117.09 2x6j n VAL 309 Ca 0.29 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.61 2x6j n VAL 309 Cb 0.19 -0.51 0.04 0.00 -0.91 0.00 0.00 33.84 32.65 2x6j n VAL 309 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2x6j n LEU 310 N -1.13 -0.56 -4.62 7.52 0.00 -1.26 -4.52 117.00 112.44 2x6j n LEU 310 Ca 0.19 1.51 -0.53 0.00 0.00 0.00 0.00 56.01 57.18 2x6j n LEU 310 Cb 0.17 -0.35 -0.06 0.00 0.00 0.00 0.00 43.42 43.17 2x6j n LEU 310 CO 0.20 -1.36 0.99 -1.54 0.00 0.00 0.00 177.39 175.68 2x6j n SER 311 N -5.28 1.78 0.00 1.96 3.41 -1.26 -4.87 113.62 109.36 2x6j n SER 311 Ca 0.09 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 2x6j n SER 311 Cb 0.35 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 2x6j n SER 311 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2x6j n SER 312 N 3.15 1.81 0.00 4.04 7.64 -1.26 -4.86 113.62 124.15 2x6j n SER 312 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2x6j n SER 312 Cb 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2x6j n SER 312 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2x6j n GLU 313 N -2.49 0.00 -0.43 1.43 1.02 -1.26 -4.70 120.64 114.22 2x6j n GLU 313 Ca 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 57.16 57.49 2x6j n GLU 313 Cb 0.37 -0.33 0.64 0.00 -0.02 0.00 0.00 31.44 32.11 2x6j n GLU 313 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2x6j h GLU 314 N 0.00 0.14 -0.95 3.49 5.08 -1.97 0.92 114.58 121.29 2x6j h GLU 314 Ca 0.00 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.48 2x6j h GLU 314 Cb 0.00 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 2x6j h GLU 314 CO 0.00 0.09 0.60 -0.56 -1.00 0.00 0.00 179.01 178.14 2x6j h GLN 315 N 0.14 0.83 -0.29 2.33 3.07 -1.89 0.32 115.11 119.62 2x6j h GLN 315 Ca 0.75 -0.05 -0.11 0.00 0.09 0.00 0.00 58.65 59.33 2x6j h GLN 315 Cb 2.40 -0.19 -0.01 0.00 0.08 0.00 0.00 27.48 29.76 2x6j h GLN 315 CO -0.31 0.55 -0.28 -0.44 0.09 0.00 0.00 178.83 178.44 2x6j h ASP 316 N 0.86 0.61 -0.11 0.06 3.45 0.54 -1.66 116.42 120.16 2x6j h ASP 316 Ca 0.47 -0.23 -0.13 0.00 0.43 0.00 0.00 57.03 57.58 2x6j h ASP 316 Cb 0.59 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 2x6j h ASP 316 CO -0.24 0.87 -0.37 0.25 -1.57 0.00 0.00 179.24 178.18 2x6j h LEU 317 N 0.52 0.65 -1.22 1.55 6.46 -0.48 -2.41 115.31 120.39 2x6j h LEU 317 Ca 0.07 -0.28 -0.05 0.00 -0.12 0.00 0.00 57.88 57.50 2x6j h LEU 317 Cb 0.75 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 2x6j h LEU 317 CO 0.06 0.96 0.05 0.58 -0.62 0.00 0.00 178.44 179.46 2x6j h VAL 318 N 0.52 1.20 -0.71 1.05 2.07 0.35 -2.62 116.25 118.10 2x6j h VAL 318 Ca 0.05 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.87 2x6j h VAL 318 Cb 0.87 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2x6j h VAL 318 CO 0.08 0.26 0.47 -0.25 0.02 0.00 0.00 177.57 178.15 2x6j h TRP 319 N 0.56 0.81 -0.01 1.57 2.91 -0.80 -0.09 115.95 120.91 2x6j h TRP 319 Ca 0.12 0.02 -0.16 0.00 1.13 0.00 0.00 58.89 60.01 2x6j h TRP 319 Cb 0.29 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 28.65 2x6j h TRP 319 CO 0.01 0.46 -0.71 1.57 -1.03 0.00 0.00 178.44 178.74 2x6j h LYS 320 N 0.83 0.08 0.00 2.65 2.10 -1.54 -2.74 116.57 117.96 2x6j h LYS 320 Ca 0.29 -0.07 -0.24 0.00 -2.00 0.00 0.00 60.65 58.64 2x6j h LYS 320 Cb 0.11 0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.42 2x6j h LYS 320 CO -0.09 0.75 -1.58 1.19 -2.00 0.00 0.00 179.45 177.72 2x6j n PHE 321 N -3.73 0.98 -0.34 0.07 3.72 -0.91 -3.75 117.46 113.50 2x6j n PHE 321 Ca -0.02 0.34 0.15 0.00 -0.05 0.00 0.00 57.45 57.88 2x6j n PHE 321 Cb 0.69 -1.14 0.35 0.00 -0.94 0.00 0.00 39.48 38.44 2x6j n PHE 321 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2x6j h ARG 322 N 0.00 0.58 -0.04 -1.08 2.43 -0.70 1.10 114.38 116.66 2x6j h ARG 322 Ca -0.23 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 58.73 2x6j h ARG 322 Cb 1.82 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.23 2x6j h ARG 322 CO 0.06 0.38 -0.74 0.74 -1.51 0.00 0.00 179.97 178.91 2x6j h PHE 323 N 0.59 0.34 0.00 2.20 0.05 -1.64 -3.29 116.94 115.19 2x6j h PHE 323 Ca 0.60 -0.16 -0.26 0.00 3.82 0.00 0.00 57.97 61.97 2x6j h PHE 323 Cb 1.08 -0.05 -0.04 0.00 2.00 0.00 0.00 35.95 38.94 2x6j h PHE 323 CO -0.04 0.90 -1.43 0.66 -0.18 0.00 0.00 178.31 178.22 2x6j n TYR 324 N -3.78 0.89 -3.77 -0.55 0.53 -0.09 -4.84 117.16 105.55 2x6j n TYR 324 Ca -0.03 0.38 -0.23 0.00 -1.02 0.00 0.00 57.90 57.00 2x6j n TYR 324 Cb 0.71 -1.09 -0.17 0.00 -1.03 0.00 0.00 39.34 37.76 2x6j n TYR 324 CO 0.00 0.00 0.00 -0.48 -1.02 0.00 0.00 176.86 175.36 2x6j s LEU 325 N -7.82 0.63 -0.97 7.72 2.34 0.36 -5.02 118.68 115.92 2x6j s LEU 325 Ca -0.30 -0.14 -0.10 0.00 0.06 0.00 0.00 54.13 53.65 2x6j s LEU 325 Cb 0.07 -0.45 0.25 0.00 -0.56 0.00 0.00 46.19 45.50 2x6j s LEU 325 CO 0.58 -0.20 0.93 -0.94 -1.06 0.00 0.00 176.35 175.65 2x6j s SER 326 N 1.97 6.91 0.14 1.48 1.04 -1.24 -3.79 113.70 120.21 2x6j s SER 326 Ca 0.05 -3.25 -0.28 0.00 0.48 0.00 0.00 55.95 52.94 2x6j s SER 326 Cb -0.13 -2.17 -0.07 0.00 0.10 0.00 0.00 66.02 63.76 2x6j s SER 326 CO -0.05 -0.38 1.49 -1.28 0.98 0.00 0.00 173.24 173.99 2x6j h SER 327 N 7.03 -1.93 -5.43 7.02 0.87 -1.92 -3.44 113.55 115.75 2x6j h SER 327 Ca 0.14 0.29 -0.18 0.00 -1.23 0.00 0.00 61.79 60.81 2x6j h SER 327 Cb 0.93 0.84 -0.11 0.00 -0.44 0.00 0.00 62.40 63.63 2x6j h SER 327 CO 0.89 -0.23 -0.29 -1.00 -0.53 0.00 0.00 176.83 175.67 2x6j s HIS 328 N -5.29 0.80 0.33 2.24 3.76 -1.26 -5.01 115.29 110.86 2x6j s HIS 328 Ca -0.11 -1.08 0.09 0.00 -0.15 0.00 0.00 55.06 53.81 2x6j s HIS 328 Cb 0.10 -0.11 0.83 0.00 1.11 0.00 0.00 32.58 34.50 2x6j s HIS 328 CO 0.56 -0.93 1.78 0.87 -0.85 0.00 0.00 174.74 176.17 2x6j h LYS 329 N 2.31 0.65 -0.27 1.40 1.57 -1.82 -0.29 116.57 120.14 2x6j h LYS 329 Ca -0.29 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 2x6j h LYS 329 Cb 1.25 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 2x6j h LYS 329 CO 0.41 0.43 -0.09 0.87 -0.57 0.00 0.00 179.45 180.50 2x6j h LYS 330 N 0.67 0.43 -0.13 3.15 1.79 -1.94 -1.67 116.57 118.87 2x6j h LYS 330 Ca 0.58 -0.11 -0.17 0.00 -2.18 0.00 0.00 60.65 58.77 2x6j h LYS 330 Cb 1.02 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.61 2x6j h LYS 330 CO -0.36 0.53 -0.64 0.00 -1.08 0.00 0.00 179.45 177.90 2x6j h ALA 331 N 1.51 0.65 -0.84 3.86 0.00 -1.25 -3.07 119.26 120.12 2x6j h ALA 331 Ca 0.08 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2x6j h ALA 331 Cb 0.41 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2x6j h ALA 331 CO 0.02 0.72 0.44 1.25 0.00 0.00 0.00 179.25 181.68 2x6j h LEU 332 N 0.35 1.06 -1.00 0.00 5.85 -0.87 -0.08 115.31 120.62 2x6j h LEU 332 Ca -0.01 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 2x6j h LEU 332 Cb 1.19 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2x6j h LEU 332 CO 0.11 0.86 -0.20 0.71 -0.34 0.00 0.00 178.44 179.58 2x6j h THR 333 N 1.18 1.25 0.06 1.05 1.35 -1.43 -2.10 112.91 114.26 2x6j h THR 333 Ca 0.29 -1.17 -0.25 0.00 -0.55 0.00 0.00 66.41 64.73 2x6j h THR 333 Cb 0.05 1.27 0.01 0.00 -1.73 0.00 0.00 68.15 67.75 2x6j h THR 333 CO -0.04 0.38 -1.08 0.11 -0.25 0.00 0.00 175.52 174.63 2x6j h LYS 334 N 0.44 0.43 -0.51 4.72 1.79 -1.20 -3.17 116.57 119.06 2x6j h LYS 334 Ca 0.07 -0.53 -0.11 0.00 -2.18 0.00 0.00 60.65 57.90 2x6j h LYS 334 Cb 0.60 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 2x6j h LYS 334 CO 0.04 1.19 -0.12 0.35 -1.08 0.00 0.00 179.45 179.84 2x6j h PHE 335 N 0.21 1.07 0.00 -1.35 -0.00 -0.45 -2.82 116.94 113.61 2x6j h PHE 335 Ca -0.12 -0.22 -0.01 0.00 -0.00 0.00 0.00 57.97 57.63 2x6j h PHE 335 Cb 1.74 -0.27 -0.00 0.00 -0.00 0.00 0.00 35.95 37.42 2x6j h PHE 335 CO 0.07 1.01 -0.03 -0.07 -0.00 0.00 0.00 178.31 179.30 2x6j h LEU 336 N 0.86 0.00 -1.03 0.59 -0.00 -1.37 -2.67 115.31 111.70 2x6j h LEU 336 Ca 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.91 2x6j h LEU 336 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 2x6j h LEU 336 CO 0.05 0.03 -0.46 0.11 -0.00 0.00 0.00 178.44 178.17 2x6j h LYS 337 N 0.00 0.07 0.00 1.13 1.57 -1.61 -3.35 116.57 114.37 2x6j h LYS 337 Ca -0.00 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 2x6j h LYS 337 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2x6j h LYS 337 CO 0.00 0.51 -1.72 0.00 -0.57 0.00 0.00 179.45 177.67 2x6j n ILE 339 N -2.64 1.65 0.22 0.00 -0.00 -1.26 -4.85 119.36 112.49 2x6j n ILE 339 Ca -0.11 -0.63 -0.16 0.00 -0.00 0.00 0.00 62.75 61.84 2x6j n ILE 339 Cb 0.78 -1.56 -0.08 0.00 -0.00 0.00 0.00 39.64 38.78 2x6j n ILE 339 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 2x6j h ASN 340 N 0.04 -1.21 -0.98 7.28 2.35 -1.82 -3.32 115.58 117.93 2x6j h ASN 340 Ca -0.49 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.39 2x6j h ASN 340 Cb 1.99 0.42 -0.05 0.00 0.05 0.00 0.00 38.32 40.72 2x6j h ASN 340 CO 0.02 -0.56 0.65 4.11 -1.65 0.00 0.00 177.43 179.99 2x6j h TRP 341 N -0.82 1.22 -0.09 1.19 0.09 -1.94 -3.32 115.95 112.27 2x6j h TRP 341 Ca -0.03 0.03 -0.14 0.00 0.09 0.00 0.00 58.89 58.84 2x6j h TRP 341 Cb 0.75 -0.41 0.01 0.00 0.08 0.00 0.00 29.16 29.59 2x6j h TRP 341 CO -0.27 0.76 -0.49 -0.22 0.09 0.00 0.00 178.44 178.31 2x6j h LYS 342 N 1.31 0.50 -4.45 0.12 3.64 -1.95 -3.45 116.57 112.29 2x6j h LYS 342 Ca 0.36 -0.41 -0.43 0.00 -1.27 0.00 0.00 60.65 58.90 2x6j h LYS 342 Cb -0.14 0.09 -0.32 0.00 -0.41 0.00 0.00 32.23 31.45 2x6j h LYS 342 CO -0.08 1.04 -0.79 -1.17 -2.27 0.00 0.00 179.45 176.18 2x6j s LEU 343 N -8.58 1.67 0.27 5.20 1.98 -1.25 -5.03 118.68 112.94 2x6j s LEU 343 Ca -0.13 -0.19 0.01 0.00 -2.89 0.00 0.00 54.13 50.93 2x6j s LEU 343 Cb 0.05 -0.56 0.38 0.00 0.66 0.00 0.00 46.19 46.72 2x6j s LEU 343 CO 0.82 0.03 1.72 -0.33 -1.89 0.00 0.00 176.35 176.71 2x6j h GLU 344 N 6.63 0.56 0.05 1.98 5.08 -1.88 -2.27 114.58 124.73 2x6j h GLU 344 Ca -0.34 -0.20 -0.23 0.00 -1.00 0.00 0.00 59.36 57.59 2x6j h GLU 344 Cb 1.17 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2x6j h GLU 344 CO 0.48 0.74 -1.07 -0.44 -1.00 0.00 0.00 179.01 177.72 2x6j h ASP 345 N 0.50 0.18 0.28 1.42 3.32 -1.98 -2.72 116.42 117.42 2x6j h ASP 345 Ca 0.08 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 2x6j h ASP 345 Cb 0.63 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2x6j h ASP 345 CO 0.05 1.12 -0.53 -0.08 -1.72 0.00 0.00 179.24 178.08 2x6j h GLU 346 N 0.04 0.28 -0.44 3.56 4.81 -1.96 -2.49 114.58 118.37 2x6j h GLU 346 Ca -0.06 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.87 2x6j h GLU 346 Cb 1.81 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.19 2x6j h GLU 346 CO 0.16 0.74 -0.24 0.28 -0.73 0.00 0.00 179.01 179.23 2x6j h VAL 347 N 0.22 1.27 -0.40 0.32 2.07 -1.29 -2.34 116.25 116.10 2x6j h VAL 347 Ca 0.00 -1.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.06 2x6j h VAL 347 Cb 1.01 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2x6j h VAL 347 CO 0.08 0.47 -0.06 0.71 0.02 0.00 0.00 177.57 178.79 2x6j h THR 348 N 0.78 1.24 0.01 2.57 1.35 -1.13 0.10 112.91 117.82 2x6j h THR 348 Ca 0.10 -1.03 -0.22 0.00 -0.55 0.00 0.00 66.41 64.71 2x6j h THR 348 Cb 0.79 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2x6j h THR 348 CO 0.07 0.35 -0.93 -0.61 -0.25 0.00 0.00 175.52 174.15 2x6j h GLN 349 N 0.63 0.32 -0.05 4.72 4.15 -1.39 -2.80 115.11 120.71 2x6j h GLN 349 Ca 0.12 -0.36 -0.18 0.00 0.77 0.00 0.00 58.65 59.00 2x6j h GLN 349 Cb 0.49 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2x6j h GLN 349 CO 0.03 1.05 -0.76 0.00 -1.93 0.00 0.00 178.83 177.22 2x6j h ALA 350 N 0.82 0.60 -0.24 3.38 0.00 -0.79 -1.30 119.26 121.74 2x6j h ALA 350 Ca -0.07 -0.63 -0.14 0.00 0.00 0.00 0.00 54.91 54.06 2x6j h ALA 350 Cb 1.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2x6j h ALA 350 CO 0.15 0.80 -0.45 -0.07 0.00 0.00 0.00 179.25 179.69 2x6j h LEU 351 N 0.21 0.64 -0.43 0.00 -0.00 -0.94 0.68 115.31 115.46 2x6j h LEU 351 Ca -0.03 -0.30 -0.18 0.00 -0.00 0.00 0.00 57.88 57.37 2x6j h LEU 351 Cb 1.34 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.82 2x6j h LEU 351 CO 0.13 1.00 -0.75 -0.25 -0.00 0.00 0.00 178.44 178.56 2x6j h TRP 352 N 0.48 0.39 -0.24 1.13 7.01 -1.27 -2.58 115.95 120.87 2x6j h TRP 352 Ca 0.03 -0.18 -0.14 0.00 2.11 0.00 0.00 58.89 60.72 2x6j h TRP 352 Cb 0.97 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 2x6j h TRP 352 CO 0.04 0.93 -0.42 0.52 -2.79 0.00 0.00 178.44 176.72 2x6j h MET 353 N 0.19 0.57 -0.16 2.65 2.86 -0.16 -2.43 114.93 118.45 2x6j h MET 353 Ca -0.03 -0.30 -0.18 0.00 -2.06 0.00 0.00 59.70 57.13 2x6j h MET 353 Cb 1.32 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.98 2x6j h MET 353 CO 0.12 0.89 -0.63 1.25 1.06 0.00 0.00 176.91 179.59 2x6j h LEU 354 N 0.47 0.65 -0.66 1.22 6.46 -0.74 -0.12 115.31 122.60 2x6j h LEU 354 Ca 0.04 -0.38 -0.14 0.00 -0.12 0.00 0.00 57.88 57.28 2x6j h LEU 354 Cb 0.93 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 2x6j h LEU 354 CO 0.08 1.12 -0.49 0.00 -0.62 0.00 0.00 178.44 178.54 2x6j h ALA 355 N 0.88 0.84 0.15 1.25 0.00 -1.17 -2.82 119.26 118.39 2x6j h ALA 355 Ca -0.01 -0.48 -0.30 0.00 0.00 0.00 0.00 54.91 54.12 2x6j h ALA 355 Cb 1.20 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.93 2x6j h ALA 355 CO 0.12 0.67 -1.30 -0.91 0.00 0.00 0.00 179.25 177.83 2x6j h ASN 356 N 0.36 0.81 -1.66 0.00 2.35 -1.30 -3.47 115.58 112.67 2x6j h ASN 356 Ca 0.02 -0.78 -0.64 0.00 -0.55 0.00 0.00 56.30 54.35 2x6j h ASN 356 Cb 0.99 -0.26 0.13 0.00 0.05 0.00 0.00 38.32 39.23 2x6j h ASN 356 CO 0.09 1.60 -0.49 1.87 -1.65 0.00 0.00 177.43 178.85 2x6j n TRP 357 N -3.74 -0.55 -1.63 1.19 -0.00 -0.07 -4.87 117.44 107.77 2x6j n TRP 357 Ca -0.14 0.78 -0.48 0.00 -0.00 0.00 0.00 57.50 57.67 2x6j n TRP 357 Cb 1.02 -1.97 -0.04 0.00 -0.00 0.00 0.00 31.31 30.31 2x6j n TRP 357 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2x6j n ALA 358 N -0.36 0.32 -1.89 5.87 0.00 -1.26 -4.82 120.51 118.36 2x6j n ALA 358 Ca 0.14 0.46 -0.41 0.00 0.00 0.00 0.00 53.44 53.62 2x6j n ALA 358 Cb 0.32 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 2x6j n ALA 358 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2x6j s PRO 359 N 0.19 4.35 0.49 0.00 0.04 -1.26 -4.40 135.00 134.40 2x6j s PRO 359 Ca 0.76 2.17 -0.21 0.00 0.04 0.00 0.00 61.00 63.76 2x6j s PRO 359 Cb -0.77 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 30.56 2x6j s PRO 359 CO 0.46 -0.27 1.09 1.41 0.04 0.00 0.00 177.00 179.73 2x6j s MET 360 N -0.71 3.69 0.58 4.56 1.75 -1.26 -4.62 119.30 123.29 2x6j s MET 360 Ca 0.55 1.54 -0.16 0.00 -1.25 0.00 0.00 55.69 56.37 2x6j s MET 360 Cb -0.39 -2.18 -0.04 0.00 2.84 0.00 0.00 34.83 35.06 2x6j s MET 360 CO 0.44 -0.55 1.04 -0.51 -0.65 0.00 0.00 175.02 174.79 2x6j s ASP 361 N -1.74 5.94 0.43 1.11 1.11 -1.26 -4.95 116.67 117.31 2x6j s ASP 361 Ca 0.67 1.75 0.18 0.00 0.18 0.00 0.00 52.55 55.33 2x6j s ASP 361 Cb -0.22 -2.53 1.10 0.00 1.07 0.00 0.00 42.92 42.35 2x6j s ASP 361 CO 0.26 -1.06 1.90 0.58 1.18 0.00 0.00 175.17 178.03 2x6j h VAL 362 N 0.47 0.74 -0.27 -1.27 2.07 -1.96 -2.38 116.25 113.65 2x6j h VAL 362 Ca -0.47 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 66.79 2x6j h VAL 362 Cb 1.21 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2x6j h VAL 362 CO 0.58 0.07 -0.38 -0.33 0.02 0.00 0.00 177.57 177.53 2x6j h GLU 363 N 0.38 0.61 -0.12 1.57 4.39 -1.98 0.16 114.58 119.58 2x6j h GLU 363 Ca 0.41 -0.30 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 2x6j h GLU 363 Cb 1.02 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 2x6j h GLU 363 CO -0.13 0.89 -0.41 -0.44 -1.16 0.00 0.00 179.01 177.76 2x6j h ASP 364 N 0.51 0.29 -0.60 1.42 5.19 -1.82 -0.86 116.42 120.55 2x6j h ASP 364 Ca 0.05 -0.12 0.06 0.00 -0.62 0.00 0.00 57.03 56.39 2x6j h ASP 364 Cb 0.88 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.27 2x6j h ASP 364 CO 0.08 0.68 0.40 0.00 -3.12 0.00 0.00 179.24 177.27 2x6j h ALA 365 N 1.34 1.80 -0.35 3.45 0.00 -0.53 0.34 119.26 125.31 2x6j h ALA 365 Ca 0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2x6j h ALA 365 Cb 0.83 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2x6j h ALA 365 CO 0.07 0.10 -0.42 -0.07 0.00 0.00 0.00 179.25 178.93 2x6j h LEU 366 N 0.59 0.95 -1.42 0.00 3.38 -0.77 -2.06 115.31 115.98 2x6j h LEU 366 Ca 0.26 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2x6j h LEU 366 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2x6j h LEU 366 CO -0.08 1.23 -0.06 -0.08 0.09 0.00 0.00 178.44 179.55 2x6j h GLU 367 N 0.71 0.31 -0.02 1.13 4.81 -0.72 -0.43 114.58 120.38 2x6j h GLU 367 Ca 0.05 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2x6j h GLU 367 Cb 1.01 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2x6j h GLU 367 CO 0.10 0.39 -0.76 -0.07 -0.73 0.00 0.00 179.01 177.93 2x6j h LEU 368 N 0.30 0.22 0.00 1.64 3.38 -0.65 -2.21 115.31 117.99 2x6j h LEU 368 Ca 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2x6j h LEU 368 Cb 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2x6j h LEU 368 CO 0.01 0.90 0.00 0.18 0.09 0.00 0.00 178.44 179.62 2x6j n LEU 369 N -3.73 0.00 -4.65 1.67 4.77 -0.22 -4.54 117.00 110.30 2x6j n LEU 369 Ca -0.03 0.37 -0.31 0.00 -0.03 0.00 0.00 56.01 56.02 2x6j n LEU 369 Cb 0.73 -0.37 0.17 0.00 -2.33 0.00 0.00 43.42 41.62 2x6j n LEU 369 CO 0.46 -0.01 0.66 -0.94 -1.33 0.00 0.00 177.39 176.23 2x6j s SER 370 N -2.74 2.72 0.18 -1.43 1.04 -0.83 -4.81 113.70 107.83 2x6j s SER 370 Ca 0.22 2.09 0.23 0.00 0.48 0.00 0.00 55.95 58.97 2x6j s SER 370 Cb 0.19 -2.53 0.90 0.00 0.10 0.00 0.00 66.02 64.68 2x6j s SER 370 CO 0.47 -3.21 1.70 -0.81 0.98 0.00 0.00 173.24 172.37 2x6j n PRO 371 N -4.30 0.16 -0.18 4.02 -0.04 -1.26 -3.20 135.00 130.19 2x6j n PRO 371 Ca 0.11 0.32 -0.10 0.00 -0.04 0.00 0.00 63.50 63.79 2x6j n PRO 371 Cb 0.52 -1.76 0.01 0.00 -0.04 0.00 0.00 33.50 32.23 2x6j n PRO 371 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2x6j h THR 372 N 0.00 1.27 -3.54 0.52 1.35 -1.90 -3.40 112.91 107.20 2x6j h THR 372 Ca 0.00 -1.13 -0.66 0.00 -0.55 0.00 0.00 66.41 64.07 2x6j h THR 372 Cb 0.43 0.93 -0.15 0.00 -1.73 0.00 0.00 68.15 67.63 2x6j h THR 372 CO 0.00 0.40 0.14 -0.36 -0.25 0.00 0.00 175.52 175.45 2x6j s PHE 373 N -4.98 3.05 0.11 4.73 2.99 -1.19 -4.93 117.98 117.75 2x6j s PHE 373 Ca -0.12 -0.10 -0.09 0.00 0.00 0.00 0.00 56.93 56.62 2x6j s PHE 373 Cb 0.12 -3.40 -0.14 0.00 0.00 0.00 0.00 43.02 39.61 2x6j s PHE 373 CO 0.84 -0.91 1.28 1.15 -0.00 0.00 0.00 175.22 177.58 2x6j h THR 374 N 5.88 1.33 -2.76 0.64 2.02 -1.87 -3.46 112.91 114.70 2x6j h THR 374 Ca -0.26 -2.27 -0.52 0.00 0.77 0.00 0.00 66.41 64.13 2x6j h THR 374 Cb 1.09 2.31 0.06 0.00 -1.74 0.00 0.00 68.15 69.87 2x6j h THR 374 CO 0.91 0.69 0.99 -2.28 0.37 0.00 0.00 175.52 176.20 2x6j s HIS 375 N -3.39 2.89 0.39 3.16 5.04 -1.26 -4.93 115.29 117.19 2x6j s HIS 375 Ca -0.08 0.41 0.14 0.00 -1.54 0.00 0.00 55.06 53.99 2x6j s HIS 375 Cb 0.08 -4.12 0.98 0.00 0.04 0.00 0.00 32.58 29.56 2x6j s HIS 375 CO 0.89 -4.19 1.83 -1.35 -2.34 0.00 0.00 174.74 169.58 2x6j h PRO 376 N 6.55 0.50 0.05 2.88 0.11 -1.99 -2.50 132.00 137.60 2x6j h PRO 376 Ca -0.43 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.37 2x6j h PRO 376 Cb 1.20 -0.11 0.02 0.00 0.11 0.00 0.00 31.00 32.22 2x6j h PRO 376 CO 0.94 0.33 -1.12 0.37 -0.21 0.00 0.00 178.00 178.31 2x6j h GLN 377 N 0.52 0.62 -0.23 1.05 5.75 -1.98 -0.83 115.11 120.01 2x6j h GLN 377 Ca 0.50 -0.74 -0.15 0.00 -0.15 0.00 0.00 58.65 58.11 2x6j h GLN 377 Cb 1.08 0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.85 2x6j h GLN 377 CO -0.23 1.32 -0.49 -0.39 -2.65 0.00 0.00 178.83 176.39 2x6j h VAL 378 N 0.32 1.31 -0.76 2.39 -1.51 -1.94 -0.02 116.25 116.03 2x6j h VAL 378 Ca -0.15 -1.70 -0.05 0.00 -1.23 0.00 0.00 66.70 63.57 2x6j h VAL 378 Cb 1.78 1.66 -0.03 0.00 -2.13 0.00 0.00 31.29 32.56 2x6j h VAL 378 CO 0.21 0.54 0.27 0.03 -1.23 0.00 0.00 177.57 177.39 2x6j h ARG 379 N 0.49 1.16 -0.30 5.19 2.47 -1.35 0.45 114.38 122.49 2x6j h ARG 379 Ca 0.02 -0.23 -0.13 0.00 -1.26 0.00 0.00 59.98 58.38 2x6j h ARG 379 Cb 1.03 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.17 2x6j h ARG 379 CO 0.10 0.97 -0.34 -0.22 0.56 0.00 0.00 179.97 181.04 2x6j h LYS 380 N 1.12 0.66 -0.21 0.04 3.64 -0.62 -2.10 116.57 119.10 2x6j h LYS 380 Ca 0.25 -0.31 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 2x6j h LYS 380 Cb 0.27 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2x6j h LYS 380 CO -0.01 0.90 -0.47 -0.92 -2.27 0.00 0.00 179.45 176.68 2x6j h TYR 381 N 0.56 0.66 -0.31 1.91 3.20 -0.23 -1.54 116.97 121.21 2x6j h TYR 381 Ca 0.06 -0.21 -0.09 0.00 3.14 0.00 0.00 58.73 61.63 2x6j h TYR 381 Cb 0.84 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2x6j h TYR 381 CO 0.04 0.91 -0.19 0.00 -1.64 0.00 0.00 178.16 177.28 2x6j h ALA 382 N 1.05 1.09 -0.08 1.82 0.00 -0.49 -2.22 119.26 120.42 2x6j h ALA 382 Ca 0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 2x6j h ALA 382 Cb 0.99 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2x6j h ALA 382 CO 0.09 0.56 -0.69 0.28 0.00 0.00 0.00 179.25 179.49 2x6j h VAL 383 N 0.52 1.38 -0.12 0.00 2.07 -0.88 -2.71 116.25 116.51 2x6j h VAL 383 Ca 0.08 -2.09 -0.10 0.00 0.82 0.00 0.00 66.70 65.42 2x6j h VAL 383 Cb 0.62 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2x6j h VAL 383 CO 0.04 0.63 -0.37 0.77 0.02 0.00 0.00 177.57 178.66 2x6j h SER 384 N 0.26 0.27 0.08 0.57 4.64 -0.76 -2.28 113.55 116.34 2x6j h SER 384 Ca -0.02 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.07 2x6j h SER 384 Cb 1.25 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2x6j h SER 384 CO 0.12 0.62 -0.43 0.03 -0.87 0.00 0.00 176.83 176.29 2x6j h ARG 385 N 0.22 0.43 -0.06 4.77 2.47 -1.11 -2.93 114.38 118.17 2x6j h ARG 385 Ca 0.02 -0.23 -0.21 0.00 -1.26 0.00 0.00 59.98 58.31 2x6j h ARG 385 Cb 0.76 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 2x6j h ARG 385 CO 0.06 0.79 -0.82 -0.07 0.56 0.00 0.00 179.97 180.49 2x6j h LEU 386 N 0.36 0.59 -0.84 3.04 3.38 -1.22 -3.08 115.31 117.54 2x6j h LEU 386 Ca 0.03 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 2x6j h LEU 386 Cb 0.91 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2x6j h LEU 386 CO 0.08 1.19 -0.06 0.00 0.09 0.00 0.00 178.44 179.74 2x6j h ALA 387 N 0.79 1.03 0.00 1.53 0.00 -1.25 -1.84 119.26 119.52 2x6j h ALA 387 Ca -0.05 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2x6j h ALA 387 Cb 1.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2x6j h ALA 387 CO 0.15 0.59 -0.43 0.37 0.00 0.00 0.00 179.25 179.93 2x6j h GLN 388 N 0.74 0.00 -6.88 0.00 4.15 -1.45 -3.43 115.11 108.23 2x6j h GLN 388 Ca 0.13 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 59.03 2x6j h GLN 388 Cb 0.53 0.00 0.06 0.00 0.21 0.00 0.00 27.48 28.28 2x6j h GLN 388 CO 0.03 0.43 0.61 0.00 -1.93 0.00 0.00 178.83 177.97 2x6j s ALA 389 N -3.91 3.44 0.63 3.38 0.00 -0.69 -5.01 121.76 119.59 2x6j s ALA 389 Ca -0.02 1.20 -0.18 0.00 0.00 0.00 0.00 51.96 52.96 2x6j s ALA 389 Cb 0.13 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2x6j s ALA 389 CO 0.72 -0.60 1.21 -1.25 0.00 0.00 0.00 175.76 175.84 2x6j s PRO 390 N -1.84 2.74 0.37 0.00 0.04 -1.26 -4.81 135.00 130.24 2x6j s PRO 390 Ca 0.50 1.81 0.08 0.00 0.04 0.00 0.00 61.00 63.43 2x6j s PRO 390 Cb -0.38 -1.90 0.81 0.00 0.04 0.00 0.00 34.50 33.07 2x6j s PRO 390 CO 0.50 -1.39 1.93 -0.44 0.04 0.00 0.00 177.00 177.65 2x6j h ASP 391 N 0.54 0.61 0.30 6.66 3.45 -1.95 -2.10 116.42 123.94 2x6j h ASP 391 Ca -0.50 0.01 -0.15 0.00 0.43 0.00 0.00 57.03 56.83 2x6j h ASP 391 Cb 1.30 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 2x6j h ASP 391 CO 0.54 0.37 -0.59 1.05 -1.57 0.00 0.00 179.24 179.03 2x6j h GLU 392 N 0.68 0.30 0.01 3.56 4.11 -2.00 -1.39 114.58 119.85 2x6j h GLU 392 Ca 0.35 -0.20 -0.20 0.00 0.07 0.00 0.00 59.36 59.38 2x6j h GLU 392 Cb 0.46 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2x6j h GLU 392 CO -0.13 0.80 -0.89 -0.44 0.07 0.00 0.00 179.01 178.43 2x6j h ASP 393 N 0.22 0.19 0.57 3.06 5.19 -1.78 -2.80 116.42 121.07 2x6j h ASP 393 Ca -0.00 -0.16 -0.09 0.00 -0.62 0.00 0.00 57.03 56.16 2x6j h ASP 393 Cb 1.10 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 2x6j h ASP 393 CO 0.10 0.98 -0.44 0.25 -3.12 0.00 0.00 179.24 177.00 2x6j h LEU 394 N 0.07 0.00 0.08 1.55 5.85 -1.00 -2.67 115.31 119.20 2x6j h LEU 394 Ca -0.04 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.39 2x6j h LEU 394 Cb 1.53 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.59 2x6j h LEU 394 CO 0.13 0.44 -1.20 0.25 -0.34 0.00 0.00 178.44 177.73 2x6j h LEU 395 N 0.00 0.88 -1.10 2.25 6.46 -1.01 -2.49 115.31 120.30 2x6j h LEU 395 Ca -0.00 -0.78 0.03 0.00 -0.12 0.00 0.00 57.88 57.00 2x6j h LEU 395 Cb 0.85 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.45 2x6j h LEU 395 CO 0.06 1.59 0.61 0.25 -0.62 0.00 0.00 178.44 180.33 2x6j h LEU 396 N 0.30 1.02 0.00 2.25 6.46 -1.27 0.18 115.31 124.25 2x6j h LEU 396 Ca -0.17 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.51 2x6j h LEU 396 Cb 1.86 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.54 2x6j h LEU 396 CO 0.23 0.71 -0.44 1.88 -0.62 0.00 0.00 178.44 180.20 2x6j h TYR 397 N 1.18 0.00 -0.96 1.25 0.05 -1.58 -3.39 116.97 113.53 2x6j h TYR 397 Ca 0.36 0.00 0.36 0.00 0.05 0.00 0.00 58.73 59.50 2x6j h TYR 397 Cb -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 37.55 2x6j h TYR 397 CO -0.00 0.31 0.36 -0.11 -1.05 0.00 0.00 178.16 177.67 2x6j n LEU 398 N -3.12 0.20 -0.28 3.88 7.94 0.62 0.15 117.00 126.38 2x6j n LEU 398 Ca 0.02 1.60 0.12 0.00 -1.11 0.00 0.00 56.01 56.65 2x6j n LEU 398 Cb 0.66 -0.72 0.38 0.00 0.53 0.00 0.00 43.42 44.27 2x6j n LEU 398 CO 0.38 -1.74 1.22 0.25 -1.11 0.00 0.00 177.39 176.39 2x6j h LEU 399 N 0.00 0.65 -0.07 -1.96 5.85 -1.76 0.32 115.31 118.34 2x6j h LEU 399 Ca 0.74 0.05 -0.22 0.00 0.84 0.00 0.00 57.88 59.29 2x6j h LEU 399 Cb 1.86 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 2x6j h LEU 399 CO -0.79 0.32 -1.01 1.56 -0.34 0.00 0.00 178.44 178.18 2x6j h GLN 400 N 0.68 0.11 -0.04 1.25 7.50 0.10 -2.82 115.11 121.90 2x6j h GLN 400 Ca 0.46 -0.17 -0.05 0.00 0.50 0.00 0.00 58.65 59.39 2x6j h GLN 400 Cb 0.77 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.35 2x6j h GLN 400 CO -0.22 1.02 -0.23 -0.07 -1.50 0.00 0.00 178.83 177.83 2x6j h LEU 401 N 0.04 0.07 -0.36 1.46 3.38 -0.26 0.62 115.31 120.26 2x6j h LEU 401 Ca -0.05 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 2x6j h LEU 401 Cb 1.72 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.45 2x6j h LEU 401 CO 0.15 0.31 -0.71 0.58 0.09 0.00 0.00 178.44 178.85 2x6j h VAL 402 N 0.07 1.34 -0.17 1.22 2.07 -1.12 -1.66 116.25 118.00 2x6j h VAL 402 Ca 0.01 -2.04 -0.14 0.00 0.82 0.00 0.00 66.70 65.35 2x6j h VAL 402 Cb 0.45 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2x6j h VAL 402 CO 0.03 0.63 -0.49 1.56 0.02 0.00 0.00 177.57 179.32 2x6j h GLN 403 N 0.37 0.47 -0.03 1.57 1.08 -0.98 -2.31 115.11 115.27 2x6j h GLN 403 Ca -0.03 -0.27 -0.03 0.00 -1.45 0.00 0.00 58.65 56.87 2x6j h GLN 403 Cb 1.30 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.74 2x6j h GLN 403 CO 0.13 0.85 -0.14 0.00 -0.95 0.00 0.00 178.83 178.73 2x6j h ALA 404 N 1.10 1.71 -0.54 3.87 0.00 0.67 -1.49 119.26 124.59 2x6j h ALA 404 Ca 0.02 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.93 2x6j h ALA 404 Cb 0.99 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2x6j h ALA 404 CO 0.09 0.22 0.38 -0.07 0.00 0.00 0.00 179.25 179.87 2x6j h LEU 405 N 0.05 0.08 -1.05 0.00 3.38 -0.72 0.05 115.31 117.10 2x6j h LEU 405 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2x6j h LEU 405 Cb 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2x6j h LEU 405 CO 0.02 0.04 -0.36 0.11 0.09 0.00 0.00 178.44 178.34 2x6j h LYS 406 N 0.08 0.21 0.00 1.13 1.57 -1.39 -3.15 116.57 115.02 2x6j h LYS 406 Ca 0.26 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.77 2x6j h LYS 406 Cb 0.91 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 2x6j h LYS 406 CO -0.02 0.55 -1.10 1.88 -0.57 0.00 0.00 179.45 180.19 2x6j h TYR 407 N 0.18 0.00 -3.70 -1.35 0.05 -1.13 -3.45 116.97 107.56 2x6j h TYR 407 Ca 0.02 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.27 2x6j h TYR 407 Cb 0.73 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.54 2x6j h TYR 407 CO 0.01 0.72 0.71 -2.00 -1.05 0.00 0.00 178.16 176.55 2x6j s GLU 408 N -2.83 4.27 0.29 4.88 2.12 -1.09 -4.91 118.70 121.44 2x6j s GLU 408 Ca -0.00 2.32 -0.30 0.00 0.36 0.00 0.00 54.97 57.35 2x6j s GLU 408 Cb 0.09 -3.06 -0.13 0.00 0.26 0.00 0.00 34.13 31.28 2x6j s GLU 408 CO 0.80 -0.34 1.38 -3.47 -0.54 0.00 0.00 175.26 173.09 2x6j n ASP 409 N 1.30 2.92 0.19 -1.70 -0.08 -1.26 -4.90 116.55 113.02 2x6j n ASP 409 Ca 0.03 1.17 0.04 0.00 -1.51 0.00 0.00 54.79 54.52 2x6j n ASP 409 Cb 0.41 -1.48 0.38 0.00 2.34 0.00 0.00 41.12 42.77 2x6j n ASP 409 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2x6j h PRO 410 N 3.57 0.00 -0.21 -0.67 0.13 -1.91 -3.09 132.00 129.82 2x6j h PRO 410 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 2x6j h PRO 410 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2x6j h PRO 410 CO 0.70 0.36 -0.41 -0.09 -0.23 0.00 0.00 178.00 178.34 2x6j h ARG 411 N 0.00 0.49 -0.91 0.86 9.65 -1.99 -1.53 114.38 120.95 2x6j h ARG 411 Ca -0.00 -0.24 0.15 0.00 -1.10 0.00 0.00 59.98 58.78 2x6j h ARG 411 Cb 0.69 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.20 2x6j h ARG 411 CO 0.05 0.81 0.58 0.45 2.80 0.00 0.00 179.97 184.66 2x6j h HIS 412 N 0.40 0.83 0.07 2.20 3.86 -1.93 -0.83 115.15 119.76 2x6j h HIS 412 Ca 0.03 0.02 -0.28 0.00 -1.16 0.00 0.00 60.37 58.99 2x6j h HIS 412 Cb 0.89 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 2x6j h HIS 412 CO 0.03 0.30 -1.39 0.82 0.86 0.00 0.00 177.93 178.54 2x6j h ILE 413 N 0.69 1.29 -0.03 2.45 2.04 -1.52 -2.14 117.51 120.29 2x6j h ILE 413 Ca 0.46 -2.97 -0.22 0.00 1.00 0.00 0.00 64.86 63.13 2x6j h ILE 413 Cb 0.75 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 2x6j h ILE 413 CO -0.22 0.81 -0.88 0.58 0.00 0.00 0.00 178.15 178.45 2x6j h VAL 414 N 0.04 1.38 -0.35 1.67 2.07 -1.02 -2.17 116.25 117.87 2x6j h VAL 414 Ca -0.18 -2.32 -0.17 0.00 0.82 0.00 0.00 66.70 64.85 2x6j h VAL 414 Cb 1.95 2.30 -0.00 0.00 -1.52 0.00 0.00 31.29 34.01 2x6j h VAL 414 CO 0.14 0.70 -0.44 -0.74 0.02 0.00 0.00 177.57 177.26 2x6j h HIS 415 N 0.27 1.11 -0.42 1.57 -0.00 -1.17 -0.97 115.15 115.53 2x6j h HIS 415 Ca -0.07 -0.36 -0.09 0.00 -0.00 0.00 0.00 60.37 59.85 2x6j h HIS 415 Cb 1.49 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 28.66 2x6j h HIS 415 CO 0.06 1.18 -0.12 1.25 -0.00 0.00 0.00 177.93 180.30 2x6j h LEU 416 N 0.71 0.76 -0.61 0.26 6.46 -1.25 0.46 115.31 122.09 2x6j h LEU 416 Ca 0.04 -0.23 -0.11 0.00 -0.12 0.00 0.00 57.88 57.46 2x6j h LEU 416 Cb 1.04 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 2x6j h LEU 416 CO 0.10 0.90 -0.11 -0.74 -0.62 0.00 0.00 178.44 177.97 2x6j h HIS 417 N 0.69 1.09 -0.61 1.25 2.76 -1.12 -2.12 115.15 117.09 2x6j h HIS 417 Ca 0.12 -0.22 -0.03 0.00 -2.20 0.00 0.00 60.37 58.04 2x6j h HIS 417 Cb 0.60 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.26 2x6j h HIS 417 CO 0.03 1.02 0.26 0.78 -1.30 0.00 0.00 177.93 178.72 2x6j h GLY 418 N 0.95 0.93 1.72 5.26 0.00 0.40 -0.64 103.07 111.70 2x6j h GLY 418 Ca 0.14 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 2x6j h GLY 418 CO 0.05 0.43 -0.59 0.00 0.00 0.00 0.00 176.54 176.43 2x6j h ILE 420 N 0.21 1.07 -5.69 0.00 2.04 -0.67 -3.47 117.51 111.00 2x6j h ILE 420 Ca -0.00 -2.83 -0.54 0.00 1.00 0.00 0.00 64.86 62.49 2x6j h ILE 420 Cb 1.09 2.51 -0.05 0.00 -0.74 0.00 0.00 36.82 39.64 2x6j h ILE 420 CO 0.09 0.61 -0.26 0.49 0.00 0.00 0.00 178.15 179.09 2x6j n PHE 421 N -3.13 -0.60 0.00 1.37 3.01 -0.35 -5.11 117.46 112.65 2x6j n PHE 421 Ca -0.10 -2.16 0.00 0.00 1.01 0.00 0.00 57.45 56.20 2x6j n PHE 421 Cb 0.99 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 2x6j n PHE 421 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2x6j n PRO 422 N -1.68 0.00 0.00 -1.08 -0.04 -1.26 -4.81 135.00 126.13 2x6j n PRO 422 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2x6j n PRO 422 Cb 0.58 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 2x6j n PRO 422 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x6j n ALA 531 N 1.91 0.00 -1.46 0.55 0.00 -1.26 -5.07 120.51 115.18 2x6j n ALA 531 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 2x6j n ALA 531 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2x6j n ALA 531 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2x6j n ASN 532 N 0.00 -0.51 -0.38 0.00 2.85 -1.26 -4.85 115.26 111.11 2x6j n ASN 532 Ca 0.00 1.12 -0.02 0.00 -0.11 0.00 0.00 54.58 55.57 2x6j n ASN 532 Cb 0.00 -1.06 0.12 0.00 1.24 0.00 0.00 39.78 40.08 2x6j n ASN 532 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2x6j h LEU 533 N 1.26 1.15 -0.94 1.20 6.46 -1.97 -2.76 115.31 119.72 2x6j h LEU 533 Ca -0.33 -0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.31 2x6j h LEU 533 Cb 1.41 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 41.04 2x6j h LEU 533 CO 0.57 0.83 -0.29 0.00 -0.62 0.00 0.00 178.44 178.93 2x6j h THR 535 N 0.37 1.26 -0.35 0.00 1.35 -1.91 -2.06 112.91 111.56 2x6j h THR 535 Ca 0.05 -1.18 -0.17 0.00 -0.55 0.00 0.00 66.41 64.56 2x6j h THR 535 Cb 0.70 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2x6j h THR 535 CO 0.05 0.40 -0.43 0.15 -0.25 0.00 0.00 175.52 175.44 2x6j h PHE 536 N 0.63 1.09 -0.22 4.73 3.04 -0.50 -0.78 116.94 124.94 2x6j h PHE 536 Ca 0.10 -0.34 -0.15 0.00 3.98 0.00 0.00 57.97 61.56 2x6j h PHE 536 Cb 0.61 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 2x6j h PHE 536 CO 0.03 1.17 -0.49 -0.07 -2.02 0.00 0.00 178.31 176.93 2x6j h LEU 537 N 0.72 0.64 -0.22 0.59 3.38 -0.11 -0.91 115.31 119.41 2x6j h LEU 537 Ca 0.05 -0.32 -0.21 0.00 0.09 0.00 0.00 57.88 57.49 2x6j h LEU 537 Cb 1.03 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.60 2x6j h LEU 537 CO 0.10 1.03 -0.69 0.40 0.09 0.00 0.00 178.44 179.37 2x6j h ILE 538 N 0.47 1.28 -0.52 1.22 2.04 -1.18 0.42 117.51 121.24 2x6j h ILE 538 Ca 0.02 -1.88 -0.06 0.00 1.00 0.00 0.00 64.86 63.94 2x6j h ILE 538 Cb 1.02 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 2x6j h ILE 538 CO 0.09 0.60 0.08 -0.61 0.00 0.00 0.00 178.15 178.31 2x6j h GLN 539 N 0.59 0.86 -0.01 2.37 5.75 -0.80 -1.90 115.11 121.98 2x6j h GLN 539 Ca -0.03 -0.24 -0.16 0.00 -0.15 0.00 0.00 58.65 58.08 2x6j h GLN 539 Cb 1.31 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.74 2x6j h GLN 539 CO 0.14 0.85 -0.74 0.00 -2.65 0.00 0.00 178.83 176.43 2x6j h ARG 540 N 0.74 0.06 -0.03 1.69 2.47 -1.09 -2.74 114.38 115.49 2x6j h ARG 540 Ca 0.16 -0.06 -0.11 0.00 -1.26 0.00 0.00 59.98 58.71 2x6j h ARG 540 Cb 0.41 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 2x6j h ARG 540 CO 0.01 0.77 -0.49 0.00 0.56 0.00 0.00 179.97 180.83 2x6j h ALA 541 N 1.21 1.14 0.00 0.04 0.00 -0.30 -2.73 119.26 118.62 2x6j h ALA 541 Ca -0.01 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 2x6j h ALA 541 Cb 1.31 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2x6j h ALA 541 CO 0.10 0.62 -0.81 0.00 0.00 0.00 0.00 179.25 179.16 2x6j h THR 543 N 0.00 1.28 -3.26 0.00 2.02 -1.31 -3.43 112.91 108.21 2x6j h THR 543 Ca -0.01 -1.19 -0.67 0.00 0.77 0.00 0.00 66.41 65.31 2x6j h THR 543 Cb 1.58 1.30 -0.32 0.00 -1.74 0.00 0.00 68.15 68.97 2x6j h THR 543 CO 0.11 0.39 -0.84 0.21 0.37 0.00 0.00 175.52 175.76 2x6j s ASN 544 N -6.35 3.36 0.26 4.18 3.84 -1.19 -5.02 114.94 114.02 2x6j s ASN 544 Ca -0.13 -0.53 -0.05 0.00 0.21 0.00 0.00 52.86 52.36 2x6j s ASN 544 Cb 0.10 -1.49 0.32 0.00 -0.55 0.00 0.00 41.25 39.62 2x6j s ASN 544 CO 0.81 0.10 1.92 0.00 -2.79 0.00 0.00 177.10 177.14 2x6j h ALA 545 N 7.19 1.32 -0.28 1.71 0.00 -1.83 -1.01 119.26 126.36 2x6j h ALA 545 Ca -0.30 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 2x6j h ALA 545 Cb 1.20 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2x6j h ALA 545 CO 0.55 0.60 -0.42 1.79 0.00 0.00 0.00 179.25 181.77 2x6j h THR 546 N 1.30 1.29 -0.36 0.00 1.35 -1.92 -1.33 112.91 113.23 2x6j h THR 546 Ca 0.38 -1.60 -0.12 0.00 -0.55 0.00 0.00 66.41 64.51 2x6j h THR 546 Cb -0.08 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 2x6j h THR 546 CO -0.10 0.51 -0.28 -0.07 -0.25 0.00 0.00 175.52 175.34 2x6j h LEU 547 N 0.56 0.79 -1.19 3.87 3.38 -1.76 -1.81 115.31 119.14 2x6j h LEU 547 Ca 0.04 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2x6j h LEU 547 Cb 0.95 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2x6j h LEU 547 CO 0.09 1.02 0.08 0.00 0.09 0.00 0.00 178.44 179.72 2x6j h ALA 548 N 1.03 1.35 0.04 1.53 0.00 -0.62 -1.33 119.26 121.26 2x6j h ALA 548 Ca 0.08 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 2x6j h ALA 548 Cb 0.80 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2x6j h ALA 548 CO 0.07 0.46 -1.05 -0.97 0.00 0.00 0.00 179.25 177.76 2x6j h ASN 549 N 0.62 0.65 0.84 0.00 -0.00 -0.46 -0.58 115.58 116.65 2x6j h ASN 549 Ca 0.14 -0.55 -0.24 0.00 -0.00 0.00 0.00 56.30 55.65 2x6j h ASN 549 Cb 0.27 -0.20 -0.02 0.00 -0.00 0.00 0.00 38.32 38.37 2x6j h ASN 549 CO 0.00 1.37 -1.14 1.88 -0.00 0.00 0.00 177.43 179.53 2x6j h TYR 550 N 0.25 0.15 -0.32 0.67 0.05 -1.01 -2.35 116.97 114.41 2x6j h TYR 550 Ca -0.11 -0.11 -0.16 0.00 0.05 0.00 0.00 58.73 58.40 2x6j h TYR 550 Cb 1.71 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 39.43 2x6j h TYR 550 CO 0.08 1.09 -0.42 0.35 -1.05 0.00 0.00 178.16 178.21 2x6j h PHE 551 N 0.02 0.98 -0.47 4.88 3.57 -1.17 -0.01 116.94 124.73 2x6j h PHE 551 Ca -0.07 -0.30 -0.14 0.00 3.53 0.00 0.00 57.97 60.99 2x6j h PHE 551 Cb 1.85 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 2x6j h PHE 551 CO 0.02 1.09 -0.24 -0.92 -2.23 0.00 0.00 178.31 176.03 2x6j h TYR 552 N 0.66 1.15 -0.01 0.41 3.20 -0.94 -2.23 116.97 119.19 2x6j h TYR 552 Ca 0.05 -0.29 -0.14 0.00 3.14 0.00 0.00 58.73 61.49 2x6j h TYR 552 Cb 0.99 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 2x6j h TYR 552 CO 0.06 1.12 -0.64 -1.49 -1.64 0.00 0.00 178.16 175.56 2x6j h TRP 553 N 0.85 0.08 0.03 -3.82 4.06 -0.86 -1.42 115.95 114.87 2x6j h TRP 553 Ca 0.10 -0.03 -0.26 0.00 2.06 0.00 0.00 58.89 60.77 2x6j h TRP 553 Cb 0.82 -0.01 0.01 0.00 -1.00 0.00 0.00 29.16 28.99 2x6j h TRP 553 CO 0.05 0.68 -1.05 1.88 -3.56 0.00 0.00 178.44 176.44 2x6j h TYR 554 N 0.04 0.81 -0.34 0.49 0.05 -0.93 -2.81 116.97 114.30 2x6j h TYR 554 Ca -0.01 -0.47 -0.16 0.00 0.05 0.00 0.00 58.73 58.15 2x6j h TYR 554 Cb 1.14 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 2x6j h TYR 554 CO 0.01 1.30 -0.41 -0.07 -1.05 0.00 0.00 178.16 177.93 2x6j h LEU 555 N 0.28 0.89 -1.03 3.88 3.38 -1.15 -2.76 115.31 118.80 2x6j h LEU 555 Ca -0.12 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.35 2x6j h LEU 555 Cb 1.71 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2x6j h LEU 555 CO 0.19 1.19 -0.41 0.77 0.09 0.00 0.00 178.44 180.27 2x6j h SER 556 N 0.68 0.00 0.29 -0.43 4.64 -1.27 -1.55 113.55 115.89 2x6j h SER 556 Ca 0.05 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 2x6j h SER 556 Cb 0.99 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 2x6j h SER 556 CO 0.09 0.41 -0.50 0.40 -0.87 0.00 0.00 176.83 176.36 2x6j h ILE 557 N 0.00 1.34 0.00 0.95 2.04 -1.22 -2.95 117.51 117.68 2x6j h ILE 557 Ca -0.00 -1.73 -0.15 0.00 1.00 0.00 0.00 64.86 63.98 2x6j h ILE 557 Cb 0.85 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 2x6j h ILE 557 CO 0.05 0.51 -0.71 -0.33 0.00 0.00 0.00 178.15 177.67 2x6j h GLU 558 N 0.20 0.00 0.07 2.37 4.39 -1.11 -3.36 114.58 117.13 2x6j h GLU 558 Ca 0.01 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.46 2x6j h GLU 558 Cb 0.95 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2x6j h GLU 558 CO 0.08 0.71 -1.19 0.28 -1.16 0.00 0.00 179.01 177.73 2x6j h VAL 559 N 0.00 1.53 -4.20 3.13 2.07 -1.23 -3.46 116.25 114.09 2x6j h VAL 559 Ca -0.01 -3.17 -0.53 0.00 0.82 0.00 0.00 66.70 63.81 2x6j h VAL 559 Cb 1.51 2.87 0.16 0.00 -1.52 0.00 0.00 31.29 34.31 2x6j h VAL 559 CO 0.09 0.90 0.37 -1.83 0.02 0.00 0.00 177.57 177.12 2x6j s GLU 560 N -2.67 2.03 0.31 1.57 -1.05 -1.23 -4.99 118.70 112.66 2x6j s GLU 560 Ca -0.02 1.69 -0.28 0.00 -0.15 0.00 0.00 54.97 56.20 2x6j s GLU 560 Cb 0.08 -1.83 -0.13 0.00 -0.44 0.00 0.00 34.13 31.81 2x6j s GLU 560 CO 0.85 -1.91 1.12 0.39 0.95 0.00 0.00 175.26 176.67 2x6j n GLU 561 N -2.94 1.65 0.00 -4.83 4.71 -1.26 -5.08 120.64 112.89 2x6j n GLU 561 Ca 0.13 0.58 0.00 0.00 -0.01 0.00 0.00 57.16 57.86 2x6j n GLU 561 Cb 0.51 -2.03 0.00 0.00 -1.01 0.00 0.00 31.44 28.90 2x6j n GLU 561 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2x6j n LYS 567 N 0.71 0.00 0.19 3.49 2.85 -1.26 -5.20 118.16 118.94 2x6j n LYS 567 Ca 0.08 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.39 2x6j n LYS 567 Cb 0.33 0.00 0.37 0.00 -0.65 0.00 0.00 35.03 35.09 2x6j n LYS 567 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 2x6j h GLN 568 N 0.00 0.00 -0.90 -1.58 5.75 -2.06 -2.68 115.11 113.64 2x6j h GLN 568 Ca 0.00 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.65 2x6j h GLN 568 Cb 0.00 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.46 2x6j h GLN 568 CO 0.00 0.37 0.50 -0.44 -2.65 0.00 0.00 178.83 176.61 2x6j h ASP 569 N 0.00 0.64 -0.77 -0.69 3.32 -2.04 -1.04 116.42 115.84 2x6j h ASP 569 Ca -0.00 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2x6j h ASP 569 Cb 0.79 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 2x6j h ASP 569 CO 0.05 0.27 0.43 -0.33 -1.72 0.00 0.00 179.24 177.94 2x6j h GLU 570 N 0.70 1.09 -0.12 3.56 5.08 -1.90 -0.72 114.58 122.27 2x6j h GLU 570 Ca 0.49 -0.12 -0.22 0.00 -1.00 0.00 0.00 59.36 58.51 2x6j h GLU 570 Cb 0.67 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2x6j h GLU 570 CO -0.35 0.80 -0.78 0.00 -1.00 0.00 0.00 179.01 177.68 2x6j h ARG 571 N 1.09 0.74 0.08 2.33 2.47 -1.30 -1.99 114.38 117.81 2x6j h ARG 571 Ca 0.28 -0.64 -0.25 0.00 -1.26 0.00 0.00 59.98 58.11 2x6j h ARG 571 Cb 0.03 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 2x6j h ARG 571 CO -0.04 1.24 -1.13 0.00 0.56 0.00 0.00 179.97 180.60 2x6j h ALA 572 N 0.51 0.21 -0.38 0.04 0.00 -1.44 -2.99 119.26 115.21 2x6j h ALA 572 Ca -0.06 -0.83 -0.16 0.00 0.00 0.00 0.00 54.91 53.86 2x6j h ALA 572 Cb 1.42 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2x6j h ALA 572 CO 0.16 0.94 -0.38 1.25 0.00 0.00 0.00 179.25 181.22 2x6j h HIS 573 N 0.11 1.09 -0.23 0.00 -0.00 -1.07 0.15 115.15 115.20 2x6j h HIS 573 Ca -0.11 -0.33 -0.09 0.00 -0.00 0.00 0.00 60.37 59.84 2x6j h HIS 573 Cb 1.83 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 29.00 2x6j h HIS 573 CO 0.06 1.15 -0.25 -0.44 -0.00 0.00 0.00 177.93 178.44 2x6j h ASP 574 N 0.75 0.44 0.27 3.26 3.45 -1.36 0.50 116.42 123.72 2x6j h ASP 574 Ca 0.06 -0.15 -0.31 0.00 0.43 0.00 0.00 57.03 57.07 2x6j h ASP 574 Cb 0.97 -0.12 0.03 0.00 -0.56 0.00 0.00 39.33 39.65 2x6j h ASP 574 CO 0.09 0.69 -1.32 -0.03 -1.57 0.00 0.00 179.24 177.11 2x6j h MET 575 N 0.39 0.53 -0.12 3.56 4.05 -1.28 -0.95 114.93 121.12 2x6j h MET 575 Ca 0.06 -0.79 -0.15 0.00 -0.28 0.00 0.00 59.70 58.53 2x6j h MET 575 Cb 0.65 0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 31.72 2x6j h MET 575 CO 0.05 1.37 -0.59 1.88 0.23 0.00 0.00 176.91 179.85 2x6j h TYR 576 N 0.20 0.49 -0.38 1.39 0.99 -0.42 -1.74 116.97 117.50 2x6j h TYR 576 Ca -0.20 -0.18 -0.09 0.00 2.00 0.00 0.00 58.73 60.26 2x6j h TYR 576 Cb 2.00 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 39.63 2x6j h TYR 576 CO 0.11 0.88 -0.13 0.00 -0.00 0.00 0.00 178.16 179.02 2x6j h ALA 577 N 1.08 1.07 -0.58 3.88 0.00 -0.74 -1.36 119.26 122.61 2x6j h ALA 577 Ca -0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 2x6j h ALA 577 Cb 1.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2x6j h ALA 577 CO 0.10 0.57 -0.03 1.98 0.00 0.00 0.00 179.25 181.87 2x6j h MET 578 N 0.61 1.03 -0.44 0.00 -1.53 -0.39 -2.22 114.93 111.99 2x6j h MET 578 Ca 0.10 -0.34 -0.14 0.00 -3.44 0.00 0.00 59.70 55.89 2x6j h MET 578 Cb 0.57 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.52 2x6j h MET 578 CO 0.04 1.03 -0.27 0.28 0.14 0.00 0.00 176.91 178.12 2x6j h VAL 579 N 0.94 1.27 -0.17 -5.77 2.07 -0.50 -2.41 116.25 111.68 2x6j h VAL 579 Ca 0.16 -1.43 -0.18 0.00 0.82 0.00 0.00 66.70 66.07 2x6j h VAL 579 Cb 0.58 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2x6j h VAL 579 CO 0.04 0.49 -0.63 0.25 0.02 0.00 0.00 177.57 177.74 2x6j h LEU 580 N 0.79 0.68 -0.93 2.57 6.46 -0.98 -1.48 115.31 122.42 2x6j h LEU 580 Ca 0.09 -0.39 -0.11 0.00 -0.12 0.00 0.00 57.88 57.35 2x6j h LEU 580 Cb 0.85 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 2x6j h LEU 580 CO 0.08 1.14 -0.40 0.11 -0.62 0.00 0.00 178.44 178.74 2x6j h LYS 581 N 0.44 0.26 -0.19 1.25 6.56 -1.20 -0.64 116.57 123.06 2x6j h LYS 581 Ca -0.01 -0.12 -0.20 0.00 -1.06 0.00 0.00 60.65 59.26 2x6j h LYS 581 Cb 1.20 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2x6j h LYS 581 CO 0.12 0.63 -0.67 0.52 -2.06 0.00 0.00 179.45 177.99 2x6j h MET 582 N 0.22 0.73 -0.39 3.15 2.86 -1.00 -2.30 114.93 118.19 2x6j h MET 582 Ca 0.02 -0.54 -0.14 0.00 -2.06 0.00 0.00 59.70 56.98 2x6j h MET 582 Cb 0.81 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 2x6j h MET 582 CO 0.06 1.15 -0.31 0.35 1.06 0.00 0.00 176.91 179.23 2x6j h PHE 583 N 0.52 1.07 -0.11 -0.22 3.57 -0.19 0.04 116.94 121.62 2x6j h PHE 583 Ca -0.02 -0.30 -0.15 0.00 3.53 0.00 0.00 57.97 61.03 2x6j h PHE 583 Cb 1.28 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 2x6j h PHE 583 CO 0.07 1.11 -0.56 -0.07 -2.23 0.00 0.00 178.31 176.63 2x6j h LEU 584 N 0.72 0.38 -0.52 0.59 3.38 -1.15 -2.20 115.31 116.51 2x6j h LEU 584 Ca 0.07 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.67 2x6j h LEU 584 Cb 0.90 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2x6j h LEU 584 CO 0.08 0.87 -0.72 0.50 0.09 0.00 0.00 178.44 179.26 2x6j h LYS 585 N 0.26 0.14 -0.10 1.13 1.63 -0.90 -0.82 116.57 117.93 2x6j h LYS 585 Ca 0.00 -0.12 -0.13 0.00 -0.85 0.00 0.00 60.65 59.54 2x6j h LYS 585 Cb 1.07 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.71 2x6j h LYS 585 CO 0.09 0.80 -0.53 0.28 -3.45 0.00 0.00 179.45 176.64 2x6j h VAL 586 N 0.09 1.36 0.10 2.00 2.07 -0.66 -2.82 116.25 118.39 2x6j h VAL 586 Ca -0.02 -1.81 -0.27 0.00 0.82 0.00 0.00 66.70 65.42 2x6j h VAL 586 Cb 1.27 1.87 0.03 0.00 -1.52 0.00 0.00 31.29 32.94 2x6j h VAL 586 CO 0.11 0.54 -1.11 -0.07 0.02 0.00 0.00 177.57 177.05 2x6j h LEU 587 N 0.21 0.80 -1.64 2.57 3.38 -0.95 -0.81 115.31 118.86 2x6j h LEU 587 Ca 0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2x6j h LEU 587 Cb 1.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2x6j h LEU 587 CO 0.08 1.54 0.22 -0.33 0.09 0.00 0.00 178.44 180.05 2x6j h GLU 588 N 0.16 0.46 0.00 1.13 5.08 -1.10 -0.63 114.58 119.69 2x6j h GLU 588 Ca -0.17 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 57.89 2x6j h GLU 588 Cb 1.81 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.90 2x6j h GLU 588 CO 0.21 0.31 -1.75 0.09 -1.00 0.00 0.00 179.01 176.88 2x6j n ASN 589 N -4.48 0.74 0.01 1.42 3.02 -1.07 -4.84 115.26 110.06 2x6j n ASN 589 Ca 0.02 0.35 -0.02 0.00 -0.03 0.00 0.00 54.58 54.90 2x6j n ASN 589 Cb 0.07 0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 2x6j n ASN 589 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2x6j h GLY 590 N 3.62 -1.36 0.00 7.41 0.00 0.42 -3.47 103.07 109.69 2x6j h GLY 590 Ca -0.30 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2x6j h GLY 590 CO 0.07 -0.50 0.00 1.16 0.00 0.00 0.00 176.54 177.27 2x6j n ASN 591 N -2.84 0.00 0.00 0.19 0.23 -1.26 -4.97 115.26 106.61 2x6j n ASN 591 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 2x6j n ASN 591 Cb 0.04 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 2x6j n ASN 591 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 2x6j n PHE 592 N 0.00 0.00 0.06 -2.53 3.01 -1.26 -3.90 117.46 112.84 2x6j n PHE 592 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 2x6j n PHE 592 Cb 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.34 2x6j n PHE 592 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2x6j h ASN 593 N 0.00 0.14 0.23 4.37 2.35 -1.97 -2.38 115.58 118.32 2x6j h ASN 593 Ca 0.00 -0.17 -0.33 0.00 -0.55 0.00 0.00 56.30 55.25 2x6j h ASN 593 Cb 0.34 -0.05 0.03 0.00 0.05 0.00 0.00 38.32 38.70 2x6j h ASN 593 CO 0.00 1.13 -1.51 -0.07 -1.65 0.00 0.00 177.43 175.33 2x6j h LEU 594 N 0.02 0.77 -1.41 1.61 3.38 -1.85 -2.37 115.31 115.46 2x6j h LEU 594 Ca -0.10 -0.93 0.04 0.00 0.09 0.00 0.00 57.88 56.98 2x6j h LEU 594 Cb 1.88 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.34 2x6j h LEU 594 CO 0.14 1.72 0.43 0.03 0.09 0.00 0.00 178.44 180.85 2x6j h ARG 595 N 0.10 0.74 -0.38 1.13 3.08 -1.62 -0.20 114.38 117.24 2x6j h ARG 595 Ca -0.27 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.62 2x6j h ARG 595 Cb 2.12 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.99 2x6j h ARG 595 CO 0.24 0.49 -0.20 0.78 -1.07 0.00 0.00 179.97 180.22 2x6j h GLY 596 N 0.77 0.80 1.12 0.04 0.00 -1.16 -1.45 103.07 103.18 2x6j h GLY 596 Ca 0.26 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 2x6j h GLY 596 CO -0.07 0.60 -0.28 -2.22 0.00 0.00 0.00 176.54 174.56 2x6j h ILE 597 N 0.65 1.27 -0.67 2.60 2.04 -0.55 -2.31 117.51 120.55 2x6j h ILE 597 Ca 0.10 -1.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.44 2x6j h ILE 597 Cb 0.69 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2x6j h ILE 597 CO 0.05 0.50 0.15 0.15 0.00 0.00 0.00 178.15 179.00 2x6j h PHE 598 N 0.82 1.12 -0.42 1.37 3.57 -0.56 -1.55 116.94 121.30 2x6j h PHE 598 Ca 0.09 -0.13 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 2x6j h PHE 598 Cb 0.87 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2x6j h PHE 598 CO 0.06 0.92 -0.18 1.88 -2.23 0.00 0.00 178.31 178.75 2x6j h TYR 599 N 1.01 0.90 -0.27 0.41 -1.99 -0.93 -2.24 116.97 113.86 2x6j h TYR 599 Ca 0.21 -0.19 -0.14 0.00 2.00 0.00 0.00 58.73 60.61 2x6j h TYR 599 Cb 0.37 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 2x6j h TYR 599 CO 0.03 0.92 -0.42 -0.91 -0.00 0.00 0.00 178.16 177.78 2x6j h ASN 600 N 0.71 0.70 -0.09 3.88 2.35 -0.76 -1.47 115.58 120.90 2x6j h ASN 600 Ca 0.11 -0.32 -0.17 0.00 -0.55 0.00 0.00 56.30 55.37 2x6j h ASN 600 Cb 0.69 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 2x6j h ASN 600 CO 0.05 1.03 -0.53 -0.07 -1.65 0.00 0.00 177.43 176.26 2x6j h LEU 601 N 0.53 0.74 -1.22 1.61 3.38 -1.23 -1.76 115.31 117.36 2x6j h LEU 601 Ca 0.04 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2x6j h LEU 601 Cb 0.95 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2x6j h LEU 601 CO 0.09 1.13 0.39 -0.09 0.09 0.00 0.00 178.44 180.05 2x6j h ARG 602 N 0.52 0.93 -0.19 1.13 1.12 -0.74 0.11 114.38 117.25 2x6j h ARG 602 Ca 0.01 -0.09 -0.20 0.00 -1.11 0.00 0.00 59.98 58.60 2x6j h ARG 602 Cb 1.09 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.86 2x6j h ARG 602 CO 0.11 0.66 -0.66 0.87 -3.11 0.00 0.00 179.97 177.84 2x6j h LYS 603 N 0.94 0.73 -0.25 0.20 1.57 -0.81 -2.27 116.57 116.69 2x6j h LYS 603 Ca 0.24 -0.53 -0.20 0.00 -1.87 0.00 0.00 60.65 58.29 2x6j h LYS 603 Cb -0.01 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2x6j h LYS 603 CO -0.04 1.15 -0.62 1.96 -0.57 0.00 0.00 179.45 181.33 2x6j h GLN 604 N 0.53 0.86 -0.49 3.15 4.20 -0.30 -1.12 115.11 121.93 2x6j h GLN 604 Ca -0.02 -0.59 -0.04 0.00 0.06 0.00 0.00 58.65 58.06 2x6j h GLN 604 Cb 1.27 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 2x6j h GLN 604 CO 0.14 1.22 0.14 -0.09 -0.67 0.00 0.00 178.83 179.56 2x6j h ARG 605 N 0.63 0.78 -0.38 1.46 9.65 -0.73 -1.83 114.38 123.96 2x6j h ARG 605 Ca -0.01 -0.18 -0.12 0.00 -1.10 0.00 0.00 59.98 58.57 2x6j h ARG 605 Cb 1.24 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.70 2x6j h ARG 605 CO 0.13 0.74 -0.26 0.00 2.80 0.00 0.00 179.97 183.39 2x6j h ARG 606 N 0.67 0.79 -0.34 0.20 3.08 -1.12 -2.57 114.38 115.09 2x6j h ARG 606 Ca 0.16 -0.34 -0.16 0.00 0.07 0.00 0.00 59.98 59.71 2x6j h ARG 606 Cb 0.30 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2x6j h ARG 606 CO -0.00 0.96 -0.42 0.35 -1.07 0.00 0.00 179.97 179.79 2x6j h PHE 607 N 0.68 1.04 -0.52 3.04 3.04 -0.57 -2.72 116.94 120.93 2x6j h PHE 607 Ca 0.09 -0.32 -0.12 0.00 3.98 0.00 0.00 57.97 61.59 2x6j h PHE 607 Cb 0.79 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.07 2x6j h PHE 607 CO 0.04 1.13 -0.14 0.82 -2.02 0.00 0.00 178.31 178.14 2x6j h ILE 608 N 0.69 1.27 -0.61 1.41 1.08 -1.11 -0.96 117.51 119.28 2x6j h ILE 608 Ca 0.05 -1.30 -0.05 0.00 -0.39 0.00 0.00 64.86 63.16 2x6j h ILE 608 Cb 1.01 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 2x6j h ILE 608 CO 0.10 0.46 0.16 0.44 -0.69 0.00 0.00 178.15 178.62 2x6j h ASP 609 N 0.89 0.88 0.53 1.72 5.19 -1.17 0.42 116.42 124.88 2x6j h ASP 609 Ca 0.13 -0.16 -0.27 0.00 -0.62 0.00 0.00 57.03 56.11 2x6j h ASP 609 Cb 0.71 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 40.00 2x6j h ASP 609 CO 0.05 0.85 -1.19 -0.33 -3.12 0.00 0.00 179.24 175.50 2x6j h GLU 610 N 0.91 0.33 -0.73 3.56 4.39 -1.28 -1.66 114.58 120.09 2x6j h GLU 610 Ca 0.20 -0.50 -0.06 0.00 0.34 0.00 0.00 59.36 59.34 2x6j h GLU 610 Cb 0.30 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2x6j h GLU 610 CO -0.00 1.21 0.22 1.25 -1.16 0.00 0.00 179.01 180.53 2x6j h LEU 611 N 0.12 1.07 -0.76 1.33 6.46 0.24 -1.14 115.31 122.62 2x6j h LEU 611 Ca -0.13 -0.21 -0.10 0.00 -0.12 0.00 0.00 57.88 57.32 2x6j h LEU 611 Cb 1.90 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 41.53 2x6j h LEU 611 CO 0.20 1.00 -0.09 0.58 -0.62 0.00 0.00 178.44 179.51 2x6j h VAL 612 N 1.09 1.26 -0.50 1.05 2.07 -0.12 -1.69 116.25 119.41 2x6j h VAL 612 Ca 0.23 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 2x6j h VAL 612 Cb 0.32 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2x6j h VAL 612 CO -0.01 0.41 0.12 0.11 0.02 0.00 0.00 177.57 178.22 2x6j h LYS 613 N 0.76 0.80 -0.47 1.57 1.57 -0.26 -0.73 116.57 119.81 2x6j h LYS 613 Ca 0.13 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2x6j h LYS 613 Cb 0.59 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2x6j h LYS 613 CO 0.04 0.77 0.02 1.25 -0.57 0.00 0.00 179.45 180.96 2x6j h LEU 614 N 0.68 0.79 -1.15 2.94 5.85 -1.05 -2.19 115.31 121.19 2x6j h LEU 614 Ca 0.16 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 2x6j h LEU 614 Cb 0.33 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2x6j h LEU 614 CO 0.00 0.89 0.14 0.58 -0.34 0.00 0.00 178.44 179.71 2x6j h VAL 615 N 0.66 1.21 0.00 1.05 2.07 -0.51 -1.48 116.25 119.25 2x6j h VAL 615 Ca 0.13 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 2x6j h VAL 615 Cb 0.47 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2x6j h VAL 615 CO 0.02 0.27 -0.40 0.11 0.02 0.00 0.00 177.57 177.59 2x6j h LYS 616 N 0.72 0.00 0.00 1.57 1.57 -0.55 -2.33 116.57 117.54 2x6j h LYS 616 Ca 0.16 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.74 2x6j h LYS 616 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2x6j h LYS 616 CO -0.01 0.40 -0.90 -0.07 -0.57 0.00 0.00 179.45 178.31 2x6j h LEU 617 N 0.00 0.37 -0.77 2.94 3.38 -0.87 -2.39 115.31 117.97 2x6j h LEU 617 Ca -0.00 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 2x6j h LEU 617 Cb 0.83 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2x6j h LEU 617 CO 0.05 1.10 -0.39 0.58 0.09 0.00 0.00 178.44 179.86 2x6j h VAL 618 N 0.16 1.30 -0.01 1.22 2.07 -0.95 -2.13 116.25 117.91 2x6j h VAL 618 Ca -0.06 -1.54 -0.21 0.00 0.82 0.00 0.00 66.70 65.71 2x6j h VAL 618 Cb 1.53 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2x6j h VAL 618 CO 0.15 0.48 -0.89 0.00 0.02 0.00 0.00 177.57 177.32 2x6j h ALA 619 N 1.19 0.45 0.04 1.67 0.00 -1.28 -3.22 119.26 118.11 2x6j h ALA 619 Ca 0.04 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 2x6j h ALA 619 Cb 0.86 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2x6j h ALA 619 CO 0.07 0.83 -0.02 0.87 0.00 0.00 0.00 179.25 181.01 2x6j h LYS 620 N 0.20 -0.06 -6.18 0.00 1.57 -1.19 -3.42 116.57 107.49 2x6j h LYS 620 Ca -0.06 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 58.00 2x6j h LYS 620 Cb 1.51 0.01 0.03 0.00 0.08 0.00 0.00 32.23 33.86 2x6j h LYS 620 CO 0.15 0.35 0.71 -1.91 -0.57 0.00 0.00 179.45 178.18 2x6j n GLU 621 N -4.92 1.06 -3.26 3.15 4.07 -0.82 -4.96 120.64 114.96 2x6j n GLU 621 Ca -0.08 0.39 -0.33 0.00 -0.06 0.00 0.00 57.16 57.08 2x6j n GLU 621 Cb 0.23 -2.04 -0.06 0.00 -0.06 0.00 0.00 31.44 29.51 2x6j n GLU 621 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2x6j s PRO 622 N 2.33 3.94 0.00 5.31 0.04 -1.26 -4.93 135.00 140.44 2x6j s PRO 622 Ca 0.94 0.52 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2x6j s PRO 622 Cb -1.06 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 30.90 2x6j s PRO 622 CO 0.60 0.26 0.00 0.41 0.04 0.00 0.00 177.00 178.30 2x6j n GLY 623 N -0.12 2.05 3.71 0.56 0.00 -1.26 -4.85 105.19 105.28 2x6j n GLY 623 Ca 0.01 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 2x6j n GLY 623 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x6j s ASN 624 N 0.00 2.74 0.25 1.61 4.22 -1.26 -4.71 114.94 117.78 2x6j s ASN 624 Ca 0.00 1.05 -0.04 0.00 -2.14 0.00 0.00 52.86 51.73 2x6j s ASN 624 Cb 0.00 -1.66 0.48 0.00 1.28 0.00 0.00 41.25 41.35 2x6j s ASN 624 CO 0.00 -3.04 1.70 0.08 -2.04 0.00 0.00 177.10 173.79 2x6j h ARG 625 N -1.83 0.31 -0.57 3.55 0.11 -1.99 -0.98 114.38 112.97 2x6j h ARG 625 Ca -0.53 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.49 2x6j h ARG 625 Cb 1.33 -0.07 -0.03 0.00 1.11 0.00 0.00 29.97 32.31 2x6j h ARG 625 CO 0.58 0.21 0.20 -0.91 0.10 0.00 0.00 179.97 180.14 2x6j h ASN 626 N 0.32 0.78 0.66 0.08 2.35 -1.98 0.30 115.58 118.10 2x6j h ASN 626 Ca 0.42 -0.11 -0.14 0.00 -0.55 0.00 0.00 56.30 55.92 2x6j h ASN 626 Cb 0.71 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 2x6j h ASN 626 CO -0.48 0.72 -0.66 0.50 -1.65 0.00 0.00 177.43 175.86 2x6j h LYS 627 N 0.83 0.00 0.00 0.81 3.64 -1.56 -1.82 116.57 118.48 2x6j h LYS 627 Ca 0.19 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.36 2x6j h LYS 627 Cb 0.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2x6j h LYS 627 CO -0.01 0.66 -0.92 0.87 -2.27 0.00 0.00 179.45 177.78 2x6j h LYS 628 N 0.00 0.33 -0.03 1.90 1.57 -0.15 -2.96 116.57 117.23 2x6j h LYS 628 Ca -0.01 -0.36 -0.19 0.00 -1.87 0.00 0.00 60.65 58.23 2x6j h LYS 628 Cb 1.17 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 2x6j h LYS 628 CO 0.09 1.05 -0.79 0.00 -0.57 0.00 0.00 179.45 179.22 2x6j h THR 629 N 0.18 1.43 -0.24 -0.16 1.03 -0.13 -1.65 112.91 113.38 2x6j h THR 629 Ca -0.07 -2.34 -0.13 0.00 -0.01 0.00 0.00 66.41 63.87 2x6j h THR 629 Cb 1.55 2.27 -0.01 0.00 -1.07 0.00 0.00 68.15 70.89 2x6j h THR 629 CO 0.15 0.69 -0.37 -0.33 -0.01 0.00 0.00 175.52 175.65 2x6j h GLU 630 N 0.18 0.54 -0.38 0.00 5.08 -1.32 -1.12 114.58 117.57 2x6j h GLU 630 Ca -0.04 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 57.94 2x6j h GLU 630 Cb 1.38 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 2x6j h GLU 630 CO 0.13 0.83 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.50 2x6j h LYS 631 N 0.45 0.78 -0.45 2.33 1.63 -1.31 -1.51 116.57 118.49 2x6j h LYS 631 Ca 0.04 -0.33 -0.07 0.00 -0.85 0.00 0.00 60.65 59.44 2x6j h LYS 631 Cb 0.86 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.45 2x6j h LYS 631 CO 0.07 0.95 -0.01 0.35 -3.45 0.00 0.00 179.45 177.36 2x6j h PHE 632 N 0.67 0.87 -0.54 1.91 3.04 -0.67 -1.89 116.94 120.32 2x6j h PHE 632 Ca 0.09 -0.15 -0.05 0.00 3.98 0.00 0.00 57.97 61.83 2x6j h PHE 632 Cb 0.78 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.04 2x6j h PHE 632 CO 0.04 0.85 0.13 1.96 -2.02 0.00 0.00 178.31 179.27 2x6j h GLN 633 N 0.64 0.84 -0.25 1.11 4.20 -0.62 -2.08 115.11 118.95 2x6j h GLN 633 Ca 0.12 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.51 2x6j h GLN 633 Cb 0.51 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2x6j h GLN 633 CO 0.03 0.76 -0.48 -0.22 -0.67 0.00 0.00 178.83 178.24 2x6j h LYS 634 N 0.81 0.66 -0.25 1.46 1.63 -0.79 -3.07 116.57 117.02 2x6j h LYS 634 Ca 0.18 -0.38 -0.12 0.00 -0.85 0.00 0.00 60.65 59.47 2x6j h LYS 634 Cb 0.30 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 2x6j h LYS 634 CO -0.00 0.99 -0.36 -0.07 -3.45 0.00 0.00 179.45 176.56 2x6j h LEU 635 N 0.52 0.58 -0.96 5.20 3.38 -0.66 -1.18 115.31 122.20 2x6j h LEU 635 Ca 0.03 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 2x6j h LEU 635 Cb 1.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2x6j h LEU 635 CO 0.10 0.89 -0.28 -0.07 0.09 0.00 0.00 178.44 179.16 2x6j h LEU 636 N 0.46 0.42 0.00 1.67 3.38 -1.41 -2.07 115.31 117.77 2x6j h LEU 636 Ca 0.05 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 2x6j h LEU 636 Cb 0.84 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2x6j h LEU 636 CO 0.07 0.70 -0.79 0.00 0.09 0.00 0.00 178.44 178.51 2x6j h ALA 637 N 1.33 0.64 -2.34 1.53 0.00 -1.38 -3.34 119.26 115.71 2x6j h ALA 637 Ca 0.05 -0.59 -0.53 0.00 0.00 0.00 0.00 54.91 53.84 2x6j h ALA 637 Cb 0.69 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.51 2x6j h ALA 637 CO 0.05 0.74 1.24 -2.00 0.00 0.00 0.00 179.25 179.29 2x6j s GLU 638 N -2.94 4.10 -0.10 0.00 2.56 -0.48 -4.92 118.70 116.92 2x6j s GLU 638 Ca 0.02 2.57 -0.20 0.00 0.00 0.00 0.00 54.97 57.36 2x6j s GLU 638 Cb 0.08 -4.17 -0.04 0.00 2.00 0.00 0.00 34.13 32.00 2x6j s GLU 638 CO 0.77 -1.01 0.55 -0.65 -0.56 0.00 0.00 175.26 174.36 2x6j s GLN 639 N 4.54 4.36 -1.34 4.30 -1.52 -1.26 -4.19 119.66 124.54 2x6j s GLN 639 Ca 0.89 0.60 -0.08 0.00 -1.95 0.00 0.00 55.36 54.81 2x6j s GLN 639 Cb -0.42 -3.43 0.05 0.00 -0.22 0.00 0.00 33.01 28.99 2x6j s GLN 639 CO 0.41 0.15 0.50 -0.25 -0.25 0.00 0.00 175.29 175.84 2x6j n ASP 640 N 3.64 -4.36 0.18 5.90 8.00 -1.26 -4.74 116.55 123.91 2x6j n ASP 640 Ca -0.05 -0.33 0.06 0.00 0.71 0.00 0.00 54.79 55.17 2x6j n ASP 640 Cb 0.51 -3.58 0.24 0.00 -0.02 0.00 0.00 41.12 38.27 2x6j n ASP 640 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2x6j h MET 641 N -1.03 0.00 -6.20 -1.24 2.86 -1.91 -3.47 114.93 103.94 2x6j h MET 641 Ca -0.45 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.63 2x6j h MET 641 Cb 1.30 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.75 2x6j h MET 641 CO 0.53 0.37 -0.82 -0.06 1.06 0.00 0.00 176.91 177.99 2x6j s PHE 642 N -3.34 1.85 0.38 -0.22 0.40 -1.26 -5.04 117.98 110.74 2x6j s PHE 642 Ca 0.02 -0.42 0.21 0.00 -0.60 0.00 0.00 56.93 56.14 2x6j s PHE 642 Cb 0.09 -1.00 1.29 0.00 0.51 0.00 0.00 43.02 43.92 2x6j s PHE 642 CO 0.70 0.24 1.62 0.87 0.70 0.00 0.00 175.22 179.34 2x6j h LYS 643 N 3.92 0.12 -6.03 0.44 6.56 -1.98 -3.35 116.57 116.25 2x6j h LYS 643 Ca -0.46 -0.01 -0.68 0.00 -1.06 0.00 0.00 60.65 58.44 2x6j h LYS 643 Cb 1.18 -0.03 -0.18 0.00 -0.57 0.00 0.00 32.23 32.64 2x6j h LYS 643 CO 0.41 0.08 -0.67 0.54 -2.06 0.00 0.00 179.45 177.76 2x6j s VAL 644 N -5.51 3.93 -0.18 0.50 0.11 -1.26 -5.07 120.40 112.93 2x6j s VAL 644 Ca -0.09 -0.39 -0.21 0.00 -2.93 0.00 0.00 61.98 58.36 2x6j s VAL 644 Cb 0.32 -2.63 -0.03 0.00 -1.53 0.00 0.00 36.38 32.51 2x6j s VAL 644 CO 0.79 0.59 0.63 0.21 -3.33 0.00 0.00 175.10 174.00 2x6j s ASN 645 N -0.76 6.72 0.30 3.54 3.04 -1.26 -4.71 114.94 121.82 2x6j s ASN 645 Ca 0.12 0.88 0.16 0.00 0.04 0.00 0.00 52.86 54.06 2x6j s ASN 645 Cb -0.11 -2.35 0.21 0.00 -1.54 0.00 0.00 41.25 37.45 2x6j s ASN 645 CO 0.02 -0.24 1.51 -0.26 -3.04 0.00 0.00 177.10 175.09 2x6j h PHE 646 N 7.35 0.00 -0.20 0.43 -1.00 -1.84 -3.24 116.94 118.44 2x6j h PHE 646 Ca -0.33 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.35 2x6j h PHE 646 Cb 1.15 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.71 2x6j h PHE 646 CO 0.70 0.46 -0.28 1.79 -1.61 0.00 0.00 178.31 179.37 2x6j h THR 647 N 0.00 1.33 -4.03 -1.55 1.35 -1.78 -0.39 112.91 107.85 2x6j h THR 647 Ca -0.00 -1.48 -0.63 0.00 -0.55 0.00 0.00 66.41 63.74 2x6j h THR 647 Cb 1.27 1.81 -0.23 0.00 -1.73 0.00 0.00 68.15 69.27 2x6j h THR 647 CO 0.06 0.46 -0.85 0.21 -0.25 0.00 0.00 175.52 175.14 2x6j s ASN 648 N -6.43 2.88 0.28 5.36 3.84 -1.22 -3.98 114.94 115.66 2x6j s ASN 648 Ca -0.13 -0.66 0.04 0.00 0.21 0.00 0.00 52.86 52.31 2x6j s ASN 648 Cb 0.07 -0.20 -0.03 0.00 -0.55 0.00 0.00 41.25 40.54 2x6j s ASN 648 CO 0.80 0.15 0.24 0.72 -2.79 0.00 0.00 177.10 176.22 2x6j s PHE 649 N -1.00 1.49 0.32 0.43 -0.12 -1.00 -4.27 117.98 113.83 2x6j s PHE 649 Ca 0.10 -1.53 -0.29 0.00 -0.05 0.00 0.00 56.93 55.15 2x6j s PHE 649 Cb -0.10 -0.62 -0.12 0.00 -0.63 0.00 0.00 43.02 41.56 2x6j s PHE 649 CO 0.04 -0.80 1.55 0.39 -0.05 0.00 0.00 175.22 176.34 2x6j n GLU 650 N -0.49 2.65 -1.72 1.99 -0.58 -1.26 -4.75 120.64 116.47 2x6j n GLU 650 Ca 0.05 0.94 -0.43 0.00 -0.42 0.00 0.00 57.16 57.30 2x6j n GLU 650 Cb 0.64 -2.69 -0.02 0.00 -0.57 0.00 0.00 31.44 28.80 2x6j n GLU 650 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2x6j n PRO 651 N 1.61 2.45 -4.28 3.49 -0.02 -1.26 -4.91 135.00 132.07 2x6j n PRO 651 Ca 0.06 0.87 -0.24 0.00 -2.02 0.00 0.00 63.50 62.17 2x6j n PRO 651 Cb 0.37 -2.59 -0.17 0.00 -0.02 0.00 0.00 33.50 31.09 2x6j n PRO 651 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2x6j s ILE 652 N -0.22 0.92 0.05 4.25 1.01 -0.83 -4.87 121.20 121.51 2x6j s ILE 652 Ca 0.63 -0.32 -0.35 0.00 0.00 0.00 0.00 60.65 60.62 2x6j s ILE 652 Cb -0.55 -0.89 -0.14 0.00 0.01 0.00 0.00 42.46 40.89 2x6j s ILE 652 CO 0.51 0.32 1.66 -0.81 0.00 0.00 0.00 174.94 176.62 2x6j n PRO 653 N 4.20 2.01 -1.65 2.79 -0.04 -1.26 0.13 135.00 141.17 2x6j n PRO 653 Ca -0.20 0.73 -0.46 0.00 -0.04 0.00 0.00 63.50 63.52 2x6j n PRO 653 Cb 0.51 -2.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.43 2x6j n PRO 653 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2x6j n PHE 654 N 4.42 2.05 0.11 0.54 -0.00 0.18 -4.83 117.46 119.93 2x6j n PHE 654 Ca 0.19 0.41 0.02 0.00 -0.00 0.00 0.00 57.45 58.07 2x6j n PHE 654 Cb 0.27 -2.46 0.36 0.00 -0.00 0.00 0.00 39.48 37.65 2x6j n PHE 654 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 2x6j h PRO 655 N 4.86 0.26 0.49 -7.13 0.11 -1.90 -2.55 132.00 126.15 2x6j h PRO 655 Ca -0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2x6j h PRO 655 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2x6j h PRO 655 CO 0.81 0.42 -0.23 1.25 -0.21 0.00 0.00 178.00 180.03 2x6j h LEU 656 N 0.25 -0.55 -8.06 2.35 6.46 -1.97 -3.40 115.31 110.38 2x6j h LEU 656 Ca 0.05 -0.07 -0.67 0.00 -0.12 0.00 0.00 57.88 57.06 2x6j h LEU 656 Cb 0.41 0.14 -0.34 0.00 -0.73 0.00 0.00 40.66 40.15 2x6j h LEU 656 CO 0.02 -0.21 -0.80 -0.62 -0.62 0.00 0.00 178.44 176.21 2x6j s ASP 657 N -4.78 3.86 0.49 1.25 3.68 -1.18 -4.94 116.67 115.05 2x6j s ASP 657 Ca -0.15 -0.87 0.27 0.00 2.13 0.00 0.00 52.55 53.93 2x6j s ASP 657 Cb 0.02 -1.57 1.23 0.00 -1.45 0.00 0.00 42.92 41.15 2x6j s ASP 657 CO 0.52 -0.08 1.96 -0.65 0.13 0.00 0.00 175.17 177.04 2x6j h PRO 658 N 7.93 0.00 -0.06 4.34 0.11 -1.67 -2.95 132.00 139.70 2x6j h PRO 658 Ca -0.36 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 2x6j h PRO 658 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2x6j h PRO 658 CO 0.58 0.16 -0.40 0.93 -0.21 0.00 0.00 178.00 179.05 2x6j h GLU 659 N 0.00 0.12 -5.25 1.05 4.39 -1.95 -3.42 114.58 109.52 2x6j h GLU 659 Ca -0.00 -0.05 -0.62 0.00 0.34 0.00 0.00 59.36 59.03 2x6j h GLU 659 Cb 0.53 -0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.02 2x6j h GLU 659 CO 0.02 0.51 -0.57 0.42 -1.16 0.00 0.00 179.01 178.23 2x6j s ILE 660 N -4.13 4.77 0.60 3.13 1.01 -1.18 -5.00 121.20 120.39 2x6j s ILE 660 Ca -0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.49 2x6j s ILE 660 Cb 0.14 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 2x6j s ILE 660 CO 0.75 0.45 0.96 -0.31 0.00 0.00 0.00 174.94 176.79 2x6j s TYR 661 N 0.48 3.46 0.26 3.97 2.02 -1.26 0.47 117.35 126.75 2x6j s TYR 661 Ca 0.03 0.98 0.12 0.00 -0.37 0.00 0.00 57.07 57.83 2x6j s TYR 661 Cb -0.13 -2.70 -0.05 0.00 -0.40 0.00 0.00 41.96 38.68 2x6j s TYR 661 CO 0.01 -0.73 -0.19 0.96 -1.57 0.00 0.00 175.55 174.03 2x6j s ILE 662 N -3.07 2.57 0.00 2.71 -4.36 0.35 -3.43 121.20 115.96 2x6j s ILE 662 Ca 0.54 -2.26 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 2x6j s ILE 662 Cb -0.11 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.28 2x6j s ILE 662 CO 0.49 -0.33 0.00 0.41 0.24 0.00 0.00 174.94 175.75 2x6j n THR 663 N -0.45 0.00 -2.60 8.37 -1.04 -1.11 -1.97 114.28 115.48 2x6j n THR 663 Ca -0.07 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.70 2x6j n THR 663 Cb 0.59 -0.14 0.12 0.00 -1.82 0.00 0.00 70.33 69.08 2x6j n THR 663 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2x6j s LYS 664 N 0.41 1.49 0.02 -2.82 1.02 -1.26 -2.37 119.74 116.23 2x6j s LYS 664 Ca 0.00 -1.24 0.07 0.00 0.02 0.00 0.00 55.97 54.83 2x6j s LYS 664 Cb 0.00 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 2x6j s LYS 664 CO 0.00 -1.60 -0.21 0.42 -0.92 0.00 0.00 175.35 173.04 2x6j s ILE 665 N -3.21 2.55 -0.48 2.17 1.01 -0.16 -2.59 121.20 120.50 2x6j s ILE 665 Ca 0.68 -1.16 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 2x6j s ILE 665 Cb -0.04 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.44 2x6j s ILE 665 CO 0.45 0.42 0.87 -0.69 0.00 0.00 0.00 174.94 175.99 2x6j s VAL 666 N -0.82 4.53 0.26 2.92 1.01 -1.22 -4.46 120.40 122.61 2x6j s VAL 666 Ca 0.13 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 2x6j s VAL 666 Cb -0.10 -4.42 0.23 0.00 0.00 0.00 0.00 36.38 32.09 2x6j s VAL 666 CO 0.03 -0.86 1.79 1.55 0.00 0.00 0.00 175.10 177.60 2x6j h PRO 667 N 9.10 0.69 -0.01 2.72 0.13 -1.92 -2.85 132.00 139.86 2x6j h PRO 667 Ca -0.25 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.69 2x6j h PRO 667 Cb 1.08 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.03 2x6j h PRO 667 CO 1.02 0.46 -0.69 0.52 -0.23 0.00 0.00 178.00 179.07 2x6j h MET 668 N 0.71 0.05 0.00 0.86 2.86 -1.93 -2.91 114.93 114.57 2x6j h MET 668 Ca 0.44 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2x6j h MET 668 Cb 0.52 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2x6j h MET 668 CO -0.31 0.72 0.00 0.54 1.06 0.00 0.00 176.91 178.92 2x6j n ARG 669 N -3.74 0.17 -2.44 1.72 1.74 -1.08 -4.73 116.66 108.30 2x6j n ARG 669 Ca -0.01 0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 2x6j n ARG 669 Cb 0.68 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.59 2x6j n ARG 669 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2x6j s THR 670 N -2.78 4.16 0.46 0.55 -4.23 -1.10 -4.57 115.64 108.13 2x6j s THR 670 Ca 0.17 1.53 0.06 0.00 -1.18 0.00 0.00 61.69 62.27 2x6j s THR 670 Cb 0.16 -3.98 -0.02 0.00 1.34 0.00 0.00 72.50 70.00 2x6j s THR 670 CO 0.40 0.05 0.26 -0.94 -0.54 0.00 0.00 174.62 173.85 2x6j s SER 671 N 1.31 4.55 0.13 3.99 1.04 -1.16 -4.95 113.70 118.62 2x6j s SER 671 Ca 0.57 -1.14 0.11 0.00 0.48 0.00 0.00 55.95 55.97 2x6j s SER 671 Cb -0.27 -0.11 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 2x6j s SER 671 CO 0.25 -0.77 -0.26 -0.76 0.98 0.00 0.00 173.24 172.69 2x6j s LEU 672 N -4.05 2.32 0.53 2.42 1.43 -1.26 -0.47 118.68 119.60 2x6j s LEU 672 Ca 0.36 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 2x6j s LEU 672 Cb 0.01 -1.17 -0.07 0.00 0.03 0.00 0.00 46.19 44.99 2x6j s LEU 672 CO 0.21 0.16 0.99 -0.36 0.23 0.00 0.00 176.35 177.58 2x6j s PHE 673 N -1.12 3.43 0.18 0.29 0.08 -0.32 -4.91 117.98 115.62 2x6j s PHE 673 Ca 0.13 1.46 -0.11 0.00 0.12 0.00 0.00 56.93 58.53 2x6j s PHE 673 Cb -0.10 -2.80 0.09 0.00 -0.57 0.00 0.00 43.02 39.64 2x6j s PHE 673 CO 0.06 -0.45 1.73 0.87 -0.10 0.00 0.00 175.22 177.32 2x6j h LYS 674 N 0.78 0.97 -6.23 0.44 6.56 -1.92 -3.43 116.57 113.74 2x6j h LYS 674 Ca -0.47 -0.19 -0.57 0.00 -1.06 0.00 0.00 60.65 58.36 2x6j h LYS 674 Cb 1.19 -0.15 0.20 0.00 -0.57 0.00 0.00 32.23 32.90 2x6j h LYS 674 CO 0.61 0.84 -1.14 0.45 -2.06 0.00 0.00 179.45 178.15 2x6j n SER 675 N -4.39 -3.66 0.00 0.86 2.88 -1.26 -4.95 113.62 103.10 2x6j n SER 675 Ca 0.04 0.46 -0.00 0.00 -1.33 0.00 0.00 58.87 58.04 2x6j n SER 675 Cb 0.19 -0.94 -0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2x6j n SER 675 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x6j h ALA 676 N -0.54 -0.77 -2.07 -1.46 0.00 -2.04 -3.35 119.26 109.04 2x6j h ALA 676 Ca -0.43 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.86 2x6j h ALA 676 Cb 1.36 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.19 2x6j h ALA 676 CO 0.35 -0.77 0.94 -0.11 0.00 0.00 0.00 179.25 179.67 2x6j n LEU 677 N -2.03 3.15 -4.58 0.00 0.00 -1.26 -4.86 117.00 107.41 2x6j n LEU 677 Ca -0.00 1.03 -0.40 0.00 0.00 0.00 0.00 56.01 56.64 2x6j n LEU 677 Cb 0.00 -1.37 -0.09 0.00 0.00 0.00 0.00 43.42 41.96 2x6j n LEU 677 CO 0.00 -0.22 0.02 -0.04 0.00 0.00 0.00 177.39 177.15 2x6j s MET 678 N 2.67 3.83 0.09 1.96 -1.94 -1.26 -4.93 119.30 119.73 2x6j s MET 678 Ca 0.87 -0.19 0.05 0.00 -1.71 0.00 0.00 55.69 54.72 2x6j s MET 678 Cb -0.73 -3.71 -0.04 0.00 2.01 0.00 0.00 34.83 32.36 2x6j s MET 678 CO 0.47 -0.36 -0.01 -2.14 -0.01 0.00 0.00 175.02 172.97 2x6j s PRO 679 N 2.01 2.53 0.48 2.03 0.02 -1.26 -4.42 135.00 136.39 2x6j s PRO 679 Ca 0.13 -0.84 -0.13 0.00 0.02 0.00 0.00 61.00 60.17 2x6j s PRO 679 Cb -0.16 -2.53 -0.07 0.00 0.02 0.00 0.00 34.50 31.76 2x6j s PRO 679 CO 0.11 0.54 0.90 0.00 -0.33 0.00 0.00 177.00 178.22 2x6j s ALA 680 N -1.29 3.19 0.41 -1.55 0.00 -0.68 -1.17 121.76 120.67 2x6j s ALA 680 Ca 0.25 -0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.97 2x6j s ALA 680 Cb -0.12 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 2x6j s ALA 680 CO 0.18 -0.18 0.96 0.21 0.00 0.00 0.00 175.76 176.93 2x6j s LYS 681 N -4.09 4.27 0.25 0.00 2.20 0.38 -1.51 119.74 121.24 2x6j s LYS 681 Ca 0.55 1.22 0.10 0.00 -0.36 0.00 0.00 55.97 57.49 2x6j s LYS 681 Cb -0.10 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.82 2x6j s LYS 681 CO 0.33 -0.00 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.72 2x6j s LEU 682 N -2.89 2.94 0.18 5.43 1.02 0.17 -2.96 118.68 122.57 2x6j s LEU 682 Ca 0.59 -0.74 0.05 0.00 0.02 0.00 0.00 54.13 54.06 2x6j s LEU 682 Cb -0.13 -1.51 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 2x6j s LEU 682 CO 0.17 0.04 0.15 -0.89 0.02 0.00 0.00 176.35 175.85 2x6j s THR 683 N -2.19 4.49 0.29 5.49 2.01 -1.26 -2.78 115.64 121.69 2x6j s THR 683 Ca 0.29 -1.14 0.11 0.00 0.31 0.00 0.00 61.69 61.26 2x6j s THR 683 Cb -0.07 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2x6j s THR 683 CO 0.17 -0.16 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.45 2x6j s PHE 684 N -1.82 2.39 0.77 4.92 0.08 0.18 -3.39 117.98 121.11 2x6j s PHE 684 Ca 0.31 -0.34 -0.08 0.00 0.12 0.00 0.00 56.93 56.94 2x6j s PHE 684 Cb -0.10 -1.11 0.10 0.00 -0.57 0.00 0.00 43.02 41.34 2x6j s PHE 684 CO 0.24 0.67 1.09 0.14 -0.10 0.00 0.00 175.22 177.25 2x6j s VAL 685 N -2.49 2.17 0.30 -0.44 -7.23 -1.07 -0.39 120.40 111.26 2x6j s VAL 685 Ca 0.31 -0.24 0.09 0.00 -1.81 0.00 0.00 61.98 60.33 2x6j s VAL 685 Cb -0.04 -2.94 -0.06 0.00 0.56 0.00 0.00 36.38 33.91 2x6j s VAL 685 CO 0.16 0.00 -0.11 0.42 -0.31 0.00 0.00 175.10 175.26 2x6j s THR 686 N -3.39 2.07 0.47 5.32 -4.23 0.01 -2.75 115.64 113.14 2x6j s THR 686 Ca 0.64 -2.22 0.19 0.00 -1.18 0.00 0.00 61.69 59.12 2x6j s THR 686 Cb -0.09 -2.47 0.37 0.00 1.34 0.00 0.00 72.50 71.65 2x6j s THR 686 CO 0.47 -0.30 1.96 0.77 -0.54 0.00 0.00 174.62 176.98 2x6j h SER 687 N 2.19 0.24 -3.67 3.99 4.64 -1.86 -3.27 113.55 115.81 2x6j h SER 687 Ca -0.41 0.01 -0.65 0.00 -0.47 0.00 0.00 61.79 60.27 2x6j h SER 687 Cb 1.24 -0.04 -0.22 0.00 -0.31 0.00 0.00 62.40 63.08 2x6j h SER 687 CO 0.67 0.13 -0.61 -0.51 -0.87 0.00 0.00 176.83 175.64 2x6j s ILE 688 N -5.26 4.42 0.00 0.95 -1.16 -1.26 -4.62 121.20 114.28 2x6j s ILE 688 Ca -0.07 -0.17 0.00 0.00 -0.51 0.00 0.00 60.65 59.90 2x6j s ILE 688 Cb 0.20 -3.10 0.00 0.00 0.61 0.00 0.00 42.46 40.18 2x6j s ILE 688 CO 0.75 0.30 0.00 0.00 -2.81 0.00 0.00 174.94 173.18 2x6j n ALA 689 N 4.94 0.00 -0.93 1.50 0.00 -1.26 -2.83 120.51 121.92 2x6j n ALA 689 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2x6j n ALA 689 Cb 0.51 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2x6j n ALA 689 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2x6j n HIS 690 N -2.23 0.00 -1.58 0.00 8.25 -1.23 -4.98 115.22 113.45 2x6j n HIS 690 Ca 0.00 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 56.99 2x6j n HIS 690 Cb 0.31 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 2x6j n HIS 690 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2x6j n HIS 691 N -2.05 1.21 -1.67 4.41 8.25 -1.13 -4.05 115.22 120.20 2x6j n HIS 691 Ca 0.00 0.70 -0.31 0.00 -0.26 0.00 0.00 57.72 57.85 2x6j n HIS 691 Cb 0.00 -2.25 0.05 0.00 1.12 0.00 0.00 29.99 28.91 2x6j n HIS 691 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2x6j s GLU 692 N -0.96 2.88 0.14 -0.41 2.02 -1.26 -0.81 118.70 120.31 2x6j s GLU 692 Ca 0.66 0.78 0.09 0.00 0.02 0.00 0.00 54.97 56.51 2x6j s GLU 692 Cb -0.78 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 2x6j s GLU 692 CO 0.56 -1.09 -0.20 -0.47 0.02 0.00 0.00 175.26 174.07 2x6j s TYR 693 N -3.14 1.87 0.20 1.61 6.14 0.48 -4.82 117.35 119.70 2x6j s TYR 693 Ca 0.58 -0.44 0.11 0.00 0.64 0.00 0.00 57.07 57.96 2x6j s TYR 693 Cb -0.13 -0.97 -0.04 0.00 0.42 0.00 0.00 41.96 41.23 2x6j s TYR 693 CO 0.54 0.30 -0.21 0.00 0.64 0.00 0.00 175.55 176.82 2x6j s ALA 694 N -1.65 2.63 0.31 3.97 0.00 -1.26 0.52 121.76 126.28 2x6j s ALA 694 Ca 0.13 -1.63 0.03 0.00 0.00 0.00 0.00 51.96 50.48 2x6j s ALA 694 Cb -0.08 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 2x6j s ALA 694 CO 0.06 0.42 0.09 0.00 0.00 0.00 0.00 175.76 176.33 2x6j s ALA 695 N -1.75 2.17 0.51 0.00 0.00 -1.12 -3.69 121.76 117.89 2x6j s ALA 695 Ca 0.22 -1.86 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 2x6j s ALA 695 Cb -0.08 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 2x6j s ALA 695 CO 0.11 -0.38 0.80 0.42 0.00 0.00 0.00 175.76 176.71 2x6j s ILE 696 N -3.48 4.29 -0.03 0.00 1.01 0.69 -0.65 121.20 123.02 2x6j s ILE 696 Ca 0.35 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.99 2x6j s ILE 696 Cb 0.07 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.92 2x6j s ILE 696 CO 0.15 -0.60 -0.03 0.12 0.00 0.00 0.00 174.94 174.58 2x6j s PHE 697 N -2.79 0.55 -0.20 3.97 5.36 -0.57 -2.33 117.98 121.98 2x6j s PHE 697 Ca 0.50 -0.12 -0.03 0.00 -0.96 0.00 0.00 56.93 56.32 2x6j s PHE 697 Cb -0.10 -0.53 -0.01 0.00 -0.34 0.00 0.00 43.02 42.04 2x6j s PHE 697 CO 0.43 -0.14 -0.07 0.21 -1.46 0.00 0.00 175.22 174.19 2x6j s LYS 698 N 0.82 3.38 0.22 10.12 2.20 -0.95 -1.68 119.74 133.84 2x6j s LYS 698 Ca -0.10 -0.64 -0.01 0.00 -0.36 0.00 0.00 55.97 54.86 2x6j s LYS 698 Cb -0.13 -2.91 0.21 0.00 -1.51 0.00 0.00 37.83 33.49 2x6j s LYS 698 CO -0.00 -0.10 1.59 0.45 -0.36 0.00 0.00 175.35 176.92 2x6j h HIS 699 N 7.77 0.66 -1.05 4.03 3.86 -1.80 -3.23 115.15 125.39 2x6j h HIS 699 Ca -0.38 -0.20 -0.35 0.00 -1.16 0.00 0.00 60.37 58.28 2x6j h HIS 699 Cb 1.17 -0.14 -0.24 0.00 1.06 0.00 0.00 27.41 29.26 2x6j h HIS 699 CO 0.56 0.88 -0.73 0.41 0.86 0.00 0.00 177.93 179.92 2x6j n GLY 700 N 0.01 0.98 3.57 2.45 0.00 -1.21 -4.61 105.19 106.39 2x6j n GLY 700 Ca -0.02 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 2x6j n GLY 700 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x6j s ASP 701 N -0.86 -0.39 -0.28 1.61 3.68 -1.24 -4.95 116.67 114.23 2x6j s ASP 701 Ca 0.33 0.43 -0.18 0.00 2.13 0.00 0.00 52.55 55.26 2x6j s ASP 701 Cb 0.15 0.32 -0.02 0.00 -1.45 0.00 0.00 42.92 41.92 2x6j s ASP 701 CO -0.17 -0.36 0.51 -0.62 0.13 0.00 0.00 175.17 174.66 2x6j s ASP 702 N -1.10 6.40 0.00 -0.34 3.68 -1.26 -1.75 116.67 122.29 2x6j s ASP 702 Ca -0.02 0.38 0.26 0.00 2.13 0.00 0.00 52.55 55.30 2x6j s ASP 702 Cb -0.00 -2.28 0.64 0.00 -1.45 0.00 0.00 42.92 39.83 2x6j s ASP 702 CO 0.02 -0.33 1.51 0.18 0.13 0.00 0.00 175.17 176.68 2x6j n LEU 703 N 5.59 2.01 -0.33 -1.34 4.77 -1.26 -4.37 117.00 122.07 2x6j n LEU 703 Ca -0.04 -0.67 0.24 0.00 -0.03 0.00 0.00 56.01 55.51 2x6j n LEU 703 Cb 0.50 -0.01 0.52 0.00 -2.33 0.00 0.00 43.42 42.10 2x6j n LEU 703 CO 0.41 0.34 1.22 0.03 -1.33 0.00 0.00 177.39 178.06 2x6j h ARG 704 N 3.04 0.35 -0.35 3.23 3.08 -1.93 0.63 114.38 122.43 2x6j h ARG 704 Ca 0.00 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 2x6j h ARG 704 Cb 0.69 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2x6j h ARG 704 CO 0.00 0.23 -0.18 1.96 -1.07 0.00 0.00 179.97 180.91 2x6j h GLN 705 N 0.36 0.74 -0.48 0.04 4.20 -1.90 -2.13 115.11 115.95 2x6j h GLN 705 Ca 0.61 -0.33 -0.11 0.00 0.06 0.00 0.00 58.65 58.88 2x6j h GLN 705 Cb 1.60 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.35 2x6j h GLN 705 CO -0.30 0.94 -0.15 -0.44 -0.67 0.00 0.00 178.83 178.21 2x6j h ASP 706 N 0.53 0.92 0.41 1.46 5.19 -0.07 -2.19 116.42 122.67 2x6j h ASP 706 Ca 0.08 -0.31 -0.12 0.00 -0.62 0.00 0.00 57.03 56.05 2x6j h ASP 706 Cb 0.73 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 2x6j h ASP 706 CO 0.05 1.06 -0.53 0.06 -3.12 0.00 0.00 179.24 176.77 2x6j h GLN 707 N 0.81 0.13 -0.34 3.56 3.07 -0.66 -1.14 115.11 120.54 2x6j h GLN 707 Ca 0.12 -0.08 -0.13 0.00 0.09 0.00 0.00 58.65 58.66 2x6j h GLN 707 Cb 0.69 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.25 2x6j h GLN 707 CO 0.05 0.63 -0.28 1.25 0.09 0.00 0.00 178.83 180.56 2x6j h LEU 708 N 0.10 0.84 -0.56 0.06 6.46 -1.00 -1.05 115.31 120.16 2x6j h LEU 708 Ca 0.00 -0.45 -0.16 0.00 -0.12 0.00 0.00 57.88 57.15 2x6j h LEU 708 Cb 0.97 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 2x6j h LEU 708 CO 0.08 1.11 -0.58 0.40 -0.62 0.00 0.00 178.44 178.83 2x6j h ILE 709 N 0.57 1.35 -0.04 4.05 1.08 -0.89 -1.84 117.51 121.79 2x6j h ILE 709 Ca 0.06 -1.88 -0.20 0.00 -0.39 0.00 0.00 64.86 62.45 2x6j h ILE 709 Cb 0.86 1.87 -0.00 0.00 -3.07 0.00 0.00 36.82 36.48 2x6j h ILE 709 CO 0.07 0.57 -0.82 -0.07 -0.69 0.00 0.00 178.15 177.21 2x6j h LEU 710 N 0.33 0.46 -1.30 1.44 4.07 -1.13 -0.40 115.31 118.78 2x6j h LEU 710 Ca -0.00 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.62 2x6j h LEU 710 Cb 1.11 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.69 2x6j h LEU 710 CO 0.10 1.10 0.31 -0.61 -1.08 0.00 0.00 178.44 178.26 2x6j h GLN 711 N 0.23 0.78 -0.38 1.13 4.15 -0.91 -0.10 115.11 120.01 2x6j h GLN 711 Ca -0.05 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 59.15 2x6j h GLN 711 Cb 1.42 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 2x6j h GLN 711 CO 0.14 0.58 -0.33 0.52 -1.93 0.00 0.00 178.83 177.81 2x6j h MET 712 N 0.79 0.89 -0.25 1.69 2.86 -0.36 -0.73 114.93 119.83 2x6j h MET 712 Ca 0.20 -0.45 -0.15 0.00 -2.06 0.00 0.00 59.70 57.24 2x6j h MET 712 Cb 0.03 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2x6j h MET 712 CO -0.03 1.10 -0.48 0.82 1.06 0.00 0.00 176.91 179.38 2x6j h ILE 713 N 0.70 1.30 -0.59 -1.22 2.04 -0.67 -1.73 117.51 117.33 2x6j h ILE 713 Ca 0.07 -1.68 -0.08 0.00 1.00 0.00 0.00 64.86 64.17 2x6j h ILE 713 Cb 0.92 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 2x6j h ILE 713 CO 0.08 0.53 0.06 0.74 0.00 0.00 0.00 178.15 179.56 2x6j h THR 714 N 0.52 1.26 -0.11 -0.27 2.02 -0.61 -1.76 112.91 113.96 2x6j h THR 714 Ca 0.03 -1.04 -0.14 0.00 0.77 0.00 0.00 66.41 66.03 2x6j h THR 714 Cb 1.02 0.74 0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2x6j h THR 714 CO 0.10 0.38 -0.49 0.25 0.37 0.00 0.00 175.52 176.13 2x6j h LEU 715 N 0.92 0.61 -0.98 2.58 6.46 -0.82 -1.34 115.31 122.75 2x6j h LEU 715 Ca 0.18 -0.64 -0.08 0.00 -0.12 0.00 0.00 57.88 57.22 2x6j h LEU 715 Cb 0.46 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 2x6j h LEU 715 CO 0.02 1.15 -0.11 0.24 -0.62 0.00 0.00 178.44 179.12 2x6j h MET 716 N 0.12 0.62 -0.47 1.25 2.86 -1.16 -1.19 114.93 116.95 2x6j h MET 716 Ca -0.03 -0.18 -0.13 0.00 -2.06 0.00 0.00 59.70 57.30 2x6j h MET 716 Cb 1.13 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 2x6j h MET 716 CO 0.10 0.71 -0.20 0.22 1.06 0.00 0.00 176.91 178.81 2x6j h ASP 717 N 0.57 0.99 -0.61 1.22 3.58 -1.08 -1.48 116.42 119.61 2x6j h ASP 717 Ca 0.10 -0.39 -0.05 0.00 0.42 0.00 0.00 57.03 57.11 2x6j h ASP 717 Cb 0.52 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 2x6j h ASP 717 CO 0.03 1.16 0.18 0.11 -2.88 0.00 0.00 179.24 177.84 2x6j h LYS 718 N 0.82 0.95 -0.50 0.28 1.57 -0.11 -1.38 116.57 118.20 2x6j h LYS 718 Ca 0.11 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.55 2x6j h LYS 718 Cb 0.77 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2x6j h LYS 718 CO 0.06 0.85 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.54 2x6j h LEU 719 N 0.87 1.02 -0.70 2.94 3.38 -1.06 -2.51 115.31 119.25 2x6j h LEU 719 Ca 0.19 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 2x6j h LEU 719 Cb 0.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2x6j h LEU 719 CO -0.00 1.17 -0.62 -0.07 0.09 0.00 0.00 178.44 179.00 2x6j h LEU 720 N 0.87 0.11 -0.31 1.67 3.38 -1.00 -2.96 115.31 117.07 2x6j h LEU 720 Ca 0.12 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 2x6j h LEU 720 Cb 0.76 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2x6j h LEU 720 CO 0.06 0.70 -0.86 0.03 0.09 0.00 0.00 178.44 178.47 2x6j h ARG 721 N 0.07 0.15 -0.18 1.13 3.08 -0.84 0.52 114.38 118.31 2x6j h ARG 721 Ca -0.01 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.77 2x6j h ARG 721 Cb 1.12 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 2x6j h ARG 721 CO 0.09 0.92 -0.34 0.00 -1.07 0.00 0.00 179.97 179.57 2x6j h ARG 722 N 0.09 0.38 0.00 0.04 2.47 -1.37 -0.06 114.38 115.93 2x6j h ARG 722 Ca -0.04 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 2x6j h ARG 722 Cb 1.48 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.79 2x6j h ARG 722 CO 0.13 0.67 0.00 0.39 0.56 0.00 0.00 179.97 181.72 2x6j n GLU 723 N -4.07 0.37 -1.08 0.04 -0.58 -0.84 -4.85 120.64 109.63 2x6j n GLU 723 Ca -0.01 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2x6j n GLU 723 Cb 0.45 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 2x6j n GLU 723 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2x6j n ASN 724 N -1.30 -1.84 -4.33 1.62 5.15 -0.03 -5.03 115.26 109.49 2x6j n ASN 724 Ca 0.13 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.70 2x6j n ASN 724 Cb 0.22 -0.40 -0.10 0.00 -0.53 0.00 0.00 39.78 38.97 2x6j n ASN 724 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2x6j s LEU 725 N 0.00 5.03 -0.38 1.20 2.01 0.18 -4.96 118.68 121.76 2x6j s LEU 725 Ca 0.00 -1.27 -0.12 0.00 0.01 0.00 0.00 54.13 52.75 2x6j s LEU 725 Cb 0.00 -2.03 0.02 0.00 0.01 0.00 0.00 46.19 44.20 2x6j s LEU 725 CO 0.00 -0.49 0.23 -0.62 1.01 0.00 0.00 176.35 176.48 2x6j s ASP 726 N 1.94 5.83 -0.01 2.29 3.68 -1.26 -3.09 116.67 126.05 2x6j s ASP 726 Ca 0.03 -0.92 0.20 0.00 2.13 0.00 0.00 52.55 53.98 2x6j s ASP 726 Cb -0.22 -2.06 0.59 0.00 -1.45 0.00 0.00 42.92 39.78 2x6j s ASP 726 CO 0.05 -0.38 1.49 0.18 0.13 0.00 0.00 175.17 176.63 2x6j n LEU 727 N 5.04 3.60 -3.17 -1.34 4.77 -1.26 -4.93 117.00 119.72 2x6j n LEU 727 Ca -0.12 -1.80 -0.23 0.00 -0.03 0.00 0.00 56.01 53.83 2x6j n LEU 727 Cb 0.47 -0.45 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2x6j n LEU 727 CO 0.37 0.86 0.02 0.29 -1.33 0.00 0.00 177.39 177.61 2x6j n LYS 728 N 1.37 -5.04 -2.12 3.23 4.76 -1.26 -2.24 118.16 116.86 2x6j n LYS 728 Ca 0.22 0.82 -0.39 0.00 -2.87 0.00 0.00 58.31 56.09 2x6j n LYS 728 Cb 0.58 -5.69 -0.01 0.00 -1.84 0.00 0.00 35.03 28.07 2x6j n LYS 728 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x6j s LEU 729 N -6.75 4.24 -0.37 -0.35 1.43 -1.26 -4.80 118.68 110.82 2x6j s LEU 729 Ca 0.36 2.58 -0.06 0.00 -1.03 0.00 0.00 54.13 55.98 2x6j s LEU 729 Cb -0.17 -3.90 0.06 0.00 0.03 0.00 0.00 46.19 42.21 2x6j s LEU 729 CO 0.45 -0.76 0.15 0.42 0.23 0.00 0.00 176.35 176.84 2x6j s THR 730 N -1.28 3.78 -0.26 5.49 -4.23 -1.26 -5.06 115.64 112.83 2x6j s THR 730 Ca 0.56 -1.34 -0.17 0.00 -1.18 0.00 0.00 61.69 59.56 2x6j s THR 730 Cb -0.36 -3.25 -0.03 0.00 1.34 0.00 0.00 72.50 70.20 2x6j s THR 730 CO 0.47 -0.33 0.49 -2.84 -0.54 0.00 0.00 174.62 171.87 2x6j s PRO 731 N 1.36 4.07 0.03 3.99 0.02 -1.26 -4.91 135.00 138.30 2x6j s PRO 731 Ca 0.01 0.28 -0.00 0.00 0.02 0.00 0.00 61.00 61.30 2x6j s PRO 731 Cb -0.21 -3.65 -0.04 0.00 0.02 0.00 0.00 34.50 30.62 2x6j s PRO 731 CO 0.01 -0.33 0.15 1.52 -0.33 0.00 0.00 177.00 178.03 2x6j s TYR 732 N 2.23 3.42 0.17 6.54 1.13 -1.26 -5.05 117.35 124.53 2x6j s TYR 732 Ca 0.20 0.24 -0.30 0.00 -1.41 0.00 0.00 57.07 55.80 2x6j s TYR 732 Cb -0.16 -1.75 -0.08 0.00 -1.10 0.00 0.00 41.96 38.88 2x6j s TYR 732 CO 0.09 0.59 1.20 0.15 -2.51 0.00 0.00 175.55 175.07 2x6j s LYS 733 N -2.16 4.49 0.23 -3.49 1.02 -1.26 -4.85 119.74 113.72 2x6j s LYS 733 Ca 0.29 1.86 0.11 0.00 0.02 0.00 0.00 55.97 58.25 2x6j s LYS 733 Cb -0.13 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 33.88 2x6j s LYS 733 CO 0.21 -0.11 -0.21 0.08 -0.92 0.00 0.00 175.35 174.41 2x6j s VAL 734 N 0.09 2.50 0.04 3.17 1.01 -1.26 -0.25 120.40 125.70 2x6j s VAL 734 Ca 0.54 -2.15 0.01 0.00 0.00 0.00 0.00 61.98 60.37 2x6j s VAL 734 Cb -0.32 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2x6j s VAL 734 CO 0.36 -0.24 -0.05 -0.22 0.00 0.00 0.00 175.10 174.94 2x6j s LEU 735 N -3.04 2.31 0.23 3.92 2.96 -1.00 -4.95 118.68 119.10 2x6j s LEU 735 Ca 0.25 -0.64 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2x6j s LEU 735 Cb -0.07 -0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.57 2x6j s LEU 735 CO 0.13 -0.31 0.39 0.00 -1.32 0.00 0.00 176.35 175.23 2x6j s ALA 736 N -1.97 3.86 0.00 5.97 0.00 -1.26 -2.38 121.76 125.98 2x6j s ALA 736 Ca -0.08 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2x6j s ALA 736 Cb -0.06 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2x6j s ALA 736 CO -0.02 0.33 0.00 2.41 0.00 0.00 0.00 175.76 178.48 2x6j n THR 737 N -1.02 0.00 -1.14 0.00 -1.04 -0.75 -4.85 114.28 105.47 2x6j n THR 737 Ca -0.06 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.61 2x6j n THR 737 Cb 0.55 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.18 2x6j n THR 737 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2x6j n SER 738 N 0.00 0.99 -4.68 8.00 7.64 -1.25 -4.22 113.62 120.09 2x6j n SER 738 Ca 0.00 0.60 -0.42 0.00 1.01 0.00 0.00 58.87 60.05 2x6j n SER 738 Cb 0.00 -1.50 -0.00 0.00 -1.01 0.00 0.00 64.21 61.70 2x6j n SER 738 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2x6j n SER 739 N -3.08 2.53 0.00 6.43 3.41 -1.26 -2.01 113.62 119.63 2x6j n SER 739 Ca 0.14 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.93 2x6j n SER 739 Cb 0.50 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 2x6j n SER 739 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2x6j n LYS 740 N 0.49 0.00 -4.00 4.33 2.85 -0.72 -4.90 118.16 116.21 2x6j n LYS 740 Ca 0.06 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.23 2x6j n LYS 740 Cb 0.36 -1.82 -0.10 0.00 -0.65 0.00 0.00 35.03 32.82 2x6j n LYS 740 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 2x6j s HIS 741 N -3.35 0.33 0.25 5.58 -3.43 -0.85 -3.31 115.29 110.51 2x6j s HIS 741 Ca 0.00 -0.72 -0.07 0.00 -0.80 0.00 0.00 55.06 53.47 2x6j s HIS 741 Cb 0.00 -0.25 0.03 0.00 -1.43 0.00 0.00 32.58 30.93 2x6j s HIS 741 CO 0.00 -0.32 0.46 0.41 -2.00 0.00 0.00 174.74 173.29 2x6j n GLY 742 N 0.77 1.67 4.01 -1.38 0.00 -1.22 -1.82 105.19 107.24 2x6j n GLY 742 Ca -0.19 -1.28 -0.18 0.00 0.00 0.00 0.00 46.02 44.38 2x6j n GLY 742 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x6j s PHE 743 N -4.29 2.51 -0.07 1.61 0.08 -1.00 -2.25 117.98 114.57 2x6j s PHE 743 Ca 0.13 -0.46 -0.07 0.00 0.12 0.00 0.00 56.93 56.65 2x6j s PHE 743 Cb -0.02 -2.36 0.02 0.00 -0.57 0.00 0.00 43.02 40.09 2x6j s PHE 743 CO 0.10 -0.59 0.19 -0.51 -0.10 0.00 0.00 175.22 174.31 2x6j s LEU 744 N -4.43 1.26 0.52 -0.37 1.43 -0.99 -2.37 118.68 113.73 2x6j s LEU 744 Ca 0.57 0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 53.77 2x6j s LEU 744 Cb -0.09 0.69 -0.06 0.00 0.03 0.00 0.00 46.19 46.76 2x6j s LEU 744 CO 0.34 -0.11 1.32 1.67 0.23 0.00 0.00 176.35 179.80 2x6j n GLN 745 N 2.78 1.74 -3.85 1.70 7.27 0.66 -0.22 117.38 127.46 2x6j n GLN 745 Ca -0.14 0.63 -0.35 0.00 0.07 0.00 0.00 57.00 57.22 2x6j n GLN 745 Cb 0.58 -2.51 -0.09 0.00 2.41 0.00 0.00 30.24 30.64 2x6j n GLN 745 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 2x6j s TYR 746 N -1.28 3.35 -0.14 3.69 5.04 -1.24 -4.63 117.35 122.14 2x6j s TYR 746 Ca 0.69 0.24 -0.03 0.00 -2.44 0.00 0.00 57.07 55.52 2x6j s TYR 746 Cb -0.44 -2.11 -0.03 0.00 0.35 0.00 0.00 41.96 39.73 2x6j s TYR 746 CO 0.52 0.26 -0.04 0.14 -1.34 0.00 0.00 175.55 175.09 2x6j s VAL 747 N 0.29 3.93 -0.07 3.14 -7.23 -1.26 -4.94 120.40 114.25 2x6j s VAL 747 Ca 0.06 -0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 59.58 2x6j s VAL 747 Cb -0.12 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 2x6j s VAL 747 CO -0.01 0.51 1.36 -0.62 -0.31 0.00 0.00 175.10 176.04 2x6j s ASP 748 N 0.17 6.88 0.27 4.85 2.15 -1.26 -4.93 116.67 124.80 2x6j s ASP 748 Ca -0.01 1.94 -0.19 0.00 0.43 0.00 0.00 52.55 54.72 2x6j s ASP 748 Cb -0.14 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.95 2x6j s ASP 748 CO 0.03 -0.75 0.66 -0.94 -0.17 0.00 0.00 175.17 174.00 2x6j s SER 749 N 2.10 -0.22 -0.04 -0.34 1.04 -1.26 -4.73 113.70 110.24 2x6j s SER 749 Ca 0.61 -0.68 0.06 0.00 0.48 0.00 0.00 55.95 56.43 2x6j s SER 749 Cb -0.27 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 2x6j s SER 749 CO 0.22 -1.30 -0.24 0.00 0.98 0.00 0.00 173.24 172.91 2x6j s THR 751 N -0.39 2.26 0.26 0.00 -1.32 -1.26 -0.13 115.64 115.05 2x6j s THR 751 Ca 0.03 0.26 -0.02 0.00 -1.21 0.00 0.00 61.69 60.75 2x6j s THR 751 Cb -0.12 -3.17 0.23 0.00 -1.51 0.00 0.00 72.50 67.94 2x6j s THR 751 CO 0.01 0.06 1.74 0.58 -2.21 0.00 0.00 174.62 174.81 2x6j h VAL 752 N 2.98 0.68 -0.66 5.08 2.07 -1.42 0.22 116.25 125.20 2x6j h VAL 752 Ca -0.50 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 66.88 2x6j h VAL 752 Cb 1.24 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2x6j h VAL 752 CO 0.64 0.09 0.44 0.00 0.02 0.00 0.00 177.57 178.77 2x6j h ALA 753 N 1.56 1.66 -0.22 1.67 0.00 -1.80 -0.13 119.26 122.01 2x6j h ALA 753 Ca 0.44 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.18 2x6j h ALA 753 Cb 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2x6j h ALA 753 CO -0.39 0.27 -0.48 0.93 0.00 0.00 0.00 179.25 179.58 2x6j h GLU 754 N 0.77 0.57 -0.41 0.00 5.08 -0.94 -1.42 114.58 118.23 2x6j h GLU 754 Ca 0.27 -0.32 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 2x6j h GLU 754 Cb 0.11 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2x6j h GLU 754 CO -0.08 0.92 -0.35 0.28 -1.00 0.00 0.00 179.01 178.79 2x6j h VAL 755 N 0.45 1.27 0.01 3.13 2.07 0.46 -0.05 116.25 123.60 2x6j h VAL 755 Ca 0.02 -1.52 -0.23 0.00 0.82 0.00 0.00 66.70 65.79 2x6j h VAL 755 Cb 1.00 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2x6j h VAL 755 CO 0.09 0.51 -0.97 -0.07 0.02 0.00 0.00 177.57 177.15 2x6j h LEU 756 N 0.78 0.52 -0.64 2.57 3.38 -1.18 1.25 115.31 121.99 2x6j h LEU 756 Ca 0.07 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 2x6j h LEU 756 Cb 0.94 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2x6j h LEU 756 CO 0.09 1.24 -0.50 0.00 0.09 0.00 0.00 178.44 179.35 2x6j h ALA 757 N 0.73 0.82 0.00 1.53 0.00 -0.97 -3.24 119.26 118.13 2x6j h ALA 757 Ca -0.08 -0.48 -0.28 0.00 0.00 0.00 0.00 54.91 54.06 2x6j h ALA 757 Cb 1.61 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 2x6j h ALA 757 CO 0.17 0.67 -2.19 -2.13 0.00 0.00 0.00 179.25 175.76 2x6j n ARG 758 N -3.97 0.67 -4.39 0.00 0.63 -0.06 -4.78 116.66 104.77 2x6j n ARG 758 Ca -0.02 -0.01 -0.21 0.00 -0.92 0.00 0.00 57.85 56.68 2x6j n ARG 758 Cb 0.56 -1.56 -0.16 0.00 0.45 0.00 0.00 32.46 31.75 2x6j n ARG 758 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2x6j s GLU 759 N -2.73 1.14 0.22 -0.14 2.56 0.43 -5.05 118.70 115.13 2x6j s GLU 759 Ca -0.09 -0.28 -0.19 0.00 0.00 0.00 0.00 54.97 54.42 2x6j s GLU 759 Cb 0.08 -1.03 0.21 0.00 2.00 0.00 0.00 34.13 35.39 2x6j s GLU 759 CO 0.84 0.03 1.56 0.78 -0.56 0.00 0.00 175.26 177.91 2x6j h GLY 760 N 6.78 0.00 -2.68 -1.50 0.00 -1.78 -3.24 103.07 100.66 2x6j h GLY 760 Ca -0.34 0.53 -0.24 0.00 0.00 0.00 0.00 47.33 47.28 2x6j h GLY 760 CO 0.48 -0.19 -0.63 0.54 0.00 0.00 0.00 176.54 176.74 2x6j s ASN 761 N -5.34 0.40 0.30 0.19 2.20 -1.26 -4.66 114.94 106.78 2x6j s ASN 761 Ca -0.14 -1.31 0.00 0.00 -0.94 0.00 0.00 52.86 50.48 2x6j s ASN 761 Cb 0.19 0.31 0.51 0.00 -2.00 0.00 0.00 41.25 40.26 2x6j s ASN 761 CO 0.71 -0.77 1.93 0.40 -2.94 0.00 0.00 177.10 176.43 2x6j h ILE 762 N 2.69 1.11 -0.70 0.54 2.04 -1.86 -2.25 117.51 119.08 2x6j h ILE 762 Ca -0.36 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 2x6j h ILE 762 Cb 1.23 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2x6j h ILE 762 CO 0.57 0.19 0.23 0.45 0.00 0.00 0.00 178.15 179.59 2x6j h HIS 763 N 1.05 1.12 -0.20 1.37 3.86 -1.94 -0.58 115.15 119.81 2x6j h HIS 763 Ca 0.36 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 2x6j h HIS 763 Cb 0.10 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 2x6j h HIS 763 CO -0.00 0.89 0.03 -0.91 0.86 0.00 0.00 177.93 178.80 2x6j h ASN 764 N 1.02 0.26 0.34 2.45 2.35 -1.79 0.16 115.58 120.37 2x6j h ASN 764 Ca 0.23 -0.03 -0.33 0.00 -0.55 0.00 0.00 56.30 55.62 2x6j h ASN 764 Cb 0.29 -0.07 0.03 0.00 0.05 0.00 0.00 38.32 38.62 2x6j h ASN 764 CO -0.01 0.28 -1.48 0.15 -1.65 0.00 0.00 177.43 174.73 2x6j h PHE 765 N 0.29 0.82 -0.24 1.19 3.57 -1.07 -1.59 116.94 119.91 2x6j h PHE 765 Ca 0.07 -0.60 -0.17 0.00 3.53 0.00 0.00 57.97 60.81 2x6j h PHE 765 Cb 0.14 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2x6j h PHE 765 CO 0.00 1.51 -0.52 0.74 -2.23 0.00 0.00 178.31 177.81 2x6j h PHE 766 N 0.12 0.87 -0.07 0.41 0.04 -0.56 -2.73 116.94 115.01 2x6j h PHE 766 Ca -0.24 -0.30 -0.10 0.00 2.80 0.00 0.00 57.97 60.13 2x6j h PHE 766 Cb 2.11 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 40.08 2x6j h PHE 766 CO 0.11 1.07 -0.41 -0.09 -0.60 0.00 0.00 178.31 178.39 2x6j h ARG 767 N 0.54 0.16 -0.13 1.51 2.43 -0.60 0.20 114.38 118.50 2x6j h ARG 767 Ca 0.02 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 2x6j h ARG 767 Cb 1.09 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2x6j h ARG 767 CO 0.11 0.55 -0.65 -0.22 -1.51 0.00 0.00 179.97 178.24 2x6j h LYS 768 N 0.13 0.49 0.04 0.20 3.64 -0.99 -2.98 116.57 117.10 2x6j h LYS 768 Ca 0.01 -0.36 -0.27 0.00 -1.27 0.00 0.00 60.65 58.76 2x6j h LYS 768 Cb 0.79 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 2x6j h LYS 768 CO 0.06 0.98 -1.42 0.45 -2.27 0.00 0.00 179.45 177.25 2x6j h HIS 769 N 0.36 0.15 -1.91 1.91 3.86 -0.97 -3.42 115.15 115.13 2x6j h HIS 769 Ca -0.02 -0.11 -0.52 0.00 -1.16 0.00 0.00 60.37 58.56 2x6j h HIS 769 Cb 1.22 -0.01 -0.35 0.00 1.06 0.00 0.00 27.41 29.33 2x6j h HIS 769 CO 0.05 1.13 -0.98 0.72 0.86 0.00 0.00 177.93 179.71 2x6j n HIS 770 N -3.28 -1.00 -2.85 2.45 8.25 0.59 -5.10 115.22 114.28 2x6j n HIS 770 Ca -0.11 -3.21 -0.41 0.00 -0.26 0.00 0.00 57.72 53.73 2x6j n HIS 770 Cb 1.01 0.12 -0.04 0.00 1.12 0.00 0.00 29.99 32.20 2x6j n HIS 770 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2x6j s PRO 771 N -0.49 4.49 -0.20 -0.41 0.05 -1.13 -2.11 135.00 135.21 2x6j s PRO 771 Ca 0.34 1.19 0.01 0.00 0.05 0.00 0.00 61.00 62.59 2x6j s PRO 771 Cb 0.12 -3.46 0.04 0.00 0.05 0.00 0.00 34.50 31.24 2x6j s PRO 771 CO -0.15 -0.03 -0.14 0.00 0.05 0.00 0.00 177.00 176.73 2x6j h ASP 773 N 7.93 0.00 0.99 0.00 3.32 -1.95 -3.20 116.42 123.51 2x6j h ASP 773 Ca -0.33 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 2x6j h ASP 773 Cb 1.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 2x6j h ASP 773 CO 0.53 0.00 -1.02 0.78 -1.72 0.00 0.00 179.24 177.81 2x6j h ASN 774 N 0.00 0.00 -5.62 6.45 2.35 -1.94 -3.41 115.58 113.41 2x6j h ASN 774 Ca 0.20 0.00 0.38 0.00 -0.55 0.00 0.00 56.30 56.33 2x6j h ASN 774 Cb 0.83 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.05 2x6j h ASN 774 CO -0.00 0.08 0.98 -0.83 -1.65 0.00 0.00 177.43 176.00 2x6j s GLY 775 N -4.42 -0.44 0.03 2.83 0.00 -1.21 -4.89 107.32 99.21 2x6j s GLY 775 Ca -0.01 1.11 -0.16 0.00 0.00 0.00 0.00 44.72 45.67 2x6j s GLY 775 CO 0.79 0.25 1.01 -0.56 0.00 0.00 0.00 173.10 174.60 2x6j h PRO 776 N 2.00 0.55 -0.51 2.90 0.13 -1.79 -2.60 132.00 132.68 2x6j h PRO 776 Ca -0.28 -0.91 -0.04 0.00 -0.87 0.00 0.00 66.00 63.90 2x6j h PRO 776 Cb 1.18 0.33 -0.02 0.00 0.13 0.00 0.00 31.00 32.62 2x6j h PRO 776 CO 0.28 1.43 0.04 0.66 -0.23 0.00 0.00 178.00 180.18 2x6j n TYR 777 N -3.75 1.82 -0.94 1.56 4.02 -1.26 -4.79 117.16 113.83 2x6j n TYR 777 Ca -0.16 -0.86 0.00 0.00 -0.01 0.00 0.00 57.90 56.86 2x6j n TYR 777 Cb 1.08 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 2x6j n TYR 777 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x6j n GLY 778 N 0.16 0.44 3.14 2.72 0.00 -1.23 -5.03 105.19 105.38 2x6j n GLY 778 Ca 0.28 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 2x6j n GLY 778 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x6j s ILE 779 N -2.00 1.79 -0.24 -0.61 1.01 -0.98 -1.95 121.20 118.22 2x6j s ILE 779 Ca 0.00 -0.84 -0.41 0.00 0.00 0.00 0.00 60.65 59.40 2x6j s ILE 779 Cb 0.00 -1.57 -0.17 0.00 0.01 0.00 0.00 42.46 40.73 2x6j s ILE 779 CO 0.00 0.50 1.61 -1.20 0.00 0.00 0.00 174.94 175.84 2x6j n SER 780 N 3.80 1.90 -0.37 3.58 7.64 -0.90 -2.48 113.62 126.79 2x6j n SER 780 Ca -0.20 1.11 0.34 0.00 1.01 0.00 0.00 58.87 61.13 2x6j n SER 780 Cb 0.52 -1.09 0.62 0.00 -1.01 0.00 0.00 64.21 63.25 2x6j n SER 780 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x6j n ALA 781 N 4.39 1.13 -0.03 -0.43 0.00 -1.26 -0.59 120.51 123.72 2x6j n ALA 781 Ca 0.25 0.97 -0.11 0.00 0.00 0.00 0.00 53.44 54.56 2x6j n ALA 781 Cb 0.10 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 18.55 2x6j n ALA 781 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2x6j h GLU 782 N 0.00 0.68 -0.72 0.00 3.07 -1.97 -1.31 114.58 114.33 2x6j h GLU 782 Ca 0.86 -0.41 -0.05 0.00 -0.50 0.00 0.00 59.36 59.25 2x6j h GLU 782 Cb 2.43 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 30.35 2x6j h GLU 782 CO -0.67 1.03 0.24 0.28 -1.40 0.00 0.00 179.01 178.49 2x6j h VAL 783 N 0.53 1.26 -0.70 3.13 2.07 -1.09 0.10 116.25 121.55 2x6j h VAL 783 Ca 0.02 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 2x6j h VAL 783 Cb 1.08 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2x6j h VAL 783 CO 0.11 0.34 0.18 0.24 0.02 0.00 0.00 177.57 178.46 2x6j h MET 784 N 1.06 1.10 -0.49 1.57 2.86 -1.38 -0.54 114.93 119.12 2x6j h MET 784 Ca 0.23 -0.25 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 2x6j h MET 784 Cb 0.28 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2x6j h MET 784 CO -0.01 0.96 0.02 0.22 1.06 0.00 0.00 176.91 179.16 2x6j h ASP 785 N 1.05 0.83 0.39 1.22 1.82 0.06 -1.16 116.42 120.63 2x6j h ASP 785 Ca 0.22 -0.30 -0.14 0.00 -0.39 0.00 0.00 57.03 56.42 2x6j h ASP 785 Cb 0.35 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 2x6j h ASP 785 CO -0.00 0.92 -0.58 0.71 -1.61 0.00 0.00 179.24 178.68 2x6j h THR 786 N 0.71 1.38 -0.25 2.25 1.35 -0.31 -1.22 112.91 116.82 2x6j h THR 786 Ca 0.14 -1.94 -0.16 0.00 -0.55 0.00 0.00 66.41 63.90 2x6j h THR 786 Cb 0.49 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 2x6j h THR 786 CO 0.02 0.57 -0.50 0.22 -0.25 0.00 0.00 175.52 175.58 2x6j h TYR 787 N 0.15 0.84 -0.33 4.73 3.20 -0.45 -0.53 116.97 124.58 2x6j h TYR 787 Ca -0.00 -0.28 -0.13 0.00 3.14 0.00 0.00 58.73 61.45 2x6j h TYR 787 Cb 1.07 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 2x6j h TYR 787 CO 0.02 1.04 -0.34 0.82 -1.64 0.00 0.00 178.16 178.07 2x6j h ILE 788 N 0.54 1.28 -0.00 1.81 5.03 -0.68 -1.76 117.51 123.72 2x6j h ILE 788 Ca 0.02 -1.49 -0.24 0.00 -0.12 0.00 0.00 64.86 63.04 2x6j h ILE 788 Cb 1.06 1.39 0.01 0.00 -3.03 0.00 0.00 36.82 36.25 2x6j h ILE 788 CO 0.10 0.49 -0.97 0.11 -0.68 0.00 0.00 178.15 177.20 2x6j h LYS 789 N 0.62 0.52 -0.30 2.37 1.57 -0.96 -0.12 116.57 120.27 2x6j h LYS 789 Ca 0.06 -0.56 -0.11 0.00 -1.87 0.00 0.00 60.65 58.18 2x6j h LYS 789 Cb 0.87 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2x6j h LYS 789 CO 0.08 1.18 -0.29 0.77 -0.57 0.00 0.00 179.45 180.62 2x6j h SER 790 N 0.30 0.63 -0.30 0.86 0.02 -0.63 -1.05 113.55 113.37 2x6j h SER 790 Ca -0.10 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.55 2x6j h SER 790 Cb 1.61 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 2x6j h SER 790 CO 0.18 0.89 -0.06 0.00 -1.14 0.00 0.00 176.83 176.70 2x6j h ALA 792 N 0.80 0.83 -0.66 0.00 0.00 -0.45 -0.93 119.26 118.84 2x6j h ALA 792 Ca 0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2x6j h ALA 792 Cb 0.53 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2x6j h ALA 792 CO 0.03 0.53 0.15 0.78 0.00 0.00 0.00 179.25 180.74 2x6j h GLY 793 N 0.92 1.15 1.91 0.00 0.00 -0.87 -2.35 103.07 103.82 2x6j h GLY 793 Ca 0.20 -0.73 -0.20 0.00 0.00 0.00 0.00 47.33 46.59 2x6j h GLY 793 CO 0.00 0.68 -0.95 -0.97 0.00 0.00 0.00 176.54 175.30 2x6j h TYR 794 N 0.99 0.13 -0.42 5.60 0.05 -0.63 -1.53 116.97 121.16 2x6j h TYR 794 Ca 0.21 -0.08 -0.11 0.00 0.05 0.00 0.00 58.73 58.80 2x6j h TYR 794 Cb 0.38 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 2x6j h TYR 794 CO 0.03 0.98 -0.16 0.00 -1.05 0.00 0.00 178.16 177.95 2x6j h VAL 796 N 0.67 1.29 0.03 0.00 2.07 -1.38 0.46 116.25 119.40 2x6j h VAL 796 Ca 0.10 -1.47 -0.23 0.00 0.82 0.00 0.00 66.70 65.92 2x6j h VAL 796 Cb 0.71 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2x6j h VAL 796 CO 0.05 0.48 -0.99 0.40 0.02 0.00 0.00 177.57 177.53 2x6j h ILE 797 N 0.55 1.45 -0.39 4.57 2.04 -1.12 -0.36 117.51 124.25 2x6j h ILE 797 Ca 0.05 -2.65 -0.10 0.00 1.00 0.00 0.00 64.86 63.16 2x6j h ILE 797 Cb 0.88 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.50 2x6j h ILE 797 CO 0.08 0.78 -0.18 0.74 0.00 0.00 0.00 178.15 179.57 2x6j h THR 798 N 0.16 1.26 -0.05 -0.27 2.02 -0.58 -1.70 112.91 113.75 2x6j h THR 798 Ca -0.08 -1.25 -0.22 0.00 0.77 0.00 0.00 66.41 65.63 2x6j h THR 798 Cb 1.65 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 2x6j h THR 798 CO 0.16 0.42 -0.87 0.22 0.37 0.00 0.00 175.52 175.83 2x6j h TYR 799 N 0.65 0.75 -0.01 3.16 3.20 -0.44 0.40 116.97 124.69 2x6j h TYR 799 Ca 0.10 -0.37 -0.19 0.00 3.14 0.00 0.00 58.73 61.41 2x6j h TYR 799 Cb 0.66 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2x6j h TYR 799 CO 0.03 1.18 -0.83 -0.07 -1.64 0.00 0.00 178.16 176.83 2x6j h LEU 800 N 0.33 0.22 -2.49 2.82 3.38 -0.86 -2.60 115.31 116.10 2x6j h LEU 800 Ca -0.07 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2x6j h LEU 800 Cb 1.49 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2x6j h LEU 800 CO 0.16 0.95 0.00 0.18 0.09 0.00 0.00 178.44 179.82 2x6j n LEU 801 N -3.68 3.66 -3.88 1.67 4.77 -0.66 -4.77 117.00 114.11 2x6j n LEU 801 Ca -0.03 -1.75 -0.28 0.00 -0.03 0.00 0.00 56.01 53.92 2x6j n LEU 801 Cb 0.77 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2x6j n LEU 801 CO 0.47 0.87 -0.19 0.61 -1.33 0.00 0.00 177.39 177.82 2x6j n GLY 802 N 1.59 -0.48 3.63 -0.72 0.00 -0.49 -1.85 105.19 106.86 2x6j n GLY 802 Ca 0.22 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 2x6j n GLY 802 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x6j s VAL 803 N -3.80 4.83 0.51 1.61 1.01 0.13 0.22 120.40 124.92 2x6j s VAL 803 Ca 0.17 1.30 0.08 0.00 0.00 0.00 0.00 61.98 63.54 2x6j s VAL 803 Cb -0.07 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.25 2x6j s VAL 803 CO 0.89 -0.15 0.61 -0.83 0.00 0.00 0.00 175.10 175.61 2x6j s GLY 804 N 1.50 1.96 -0.03 4.51 0.00 -0.71 -4.79 107.32 109.77 2x6j s GLY 804 Ca 0.32 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 43.20 2x6j s GLY 804 CO 0.10 -1.69 0.00 1.34 0.00 0.00 0.00 173.10 172.85 2x6j n ASP 805 N -1.96 -2.18 -4.77 1.64 2.03 -1.26 -4.33 116.55 105.72 2x6j n ASP 805 Ca 0.09 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.02 2x6j n ASP 805 Cb 0.62 -0.57 -0.06 0.00 -0.72 0.00 0.00 41.12 40.39 2x6j n ASP 805 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2x6j s ARG 806 N -2.90 4.59 0.38 -0.67 1.81 -1.26 -4.95 118.95 115.95 2x6j s ARG 806 Ca 0.00 1.47 -0.09 0.00 -1.72 0.00 0.00 55.73 55.39 2x6j s ARG 806 Cb 0.00 -2.93 0.04 0.00 -0.45 0.00 0.00 34.95 31.60 2x6j s ARG 806 CO 0.00 0.26 0.67 -3.38 -0.68 0.00 0.00 175.30 172.17 2x6j s HIS 807 N -1.45 0.57 0.52 -0.53 -3.43 -1.26 -4.99 115.29 104.72 2x6j s HIS 807 Ca 0.48 -1.07 0.20 0.00 -0.80 0.00 0.00 55.06 53.88 2x6j s HIS 807 Cb -0.23 0.45 1.31 0.00 -1.43 0.00 0.00 32.58 32.69 2x6j s HIS 807 CO 0.29 -1.43 2.06 -0.07 -2.00 0.00 0.00 174.74 173.59 2x6j h LEU 808 N 2.03 0.03 -0.98 5.38 -0.00 -1.97 0.67 115.31 120.48 2x6j h LEU 808 Ca -0.31 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.46 2x6j h LEU 808 Cb 1.25 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.88 2x6j h LEU 808 CO 0.41 0.02 -0.47 0.44 -0.00 0.00 0.00 178.44 178.83 2x6j h ASP 809 N 0.04 0.09 0.58 -0.43 3.32 -1.96 -2.96 116.42 115.09 2x6j h ASP 809 Ca 0.15 -0.04 -0.28 0.00 0.02 0.00 0.00 57.03 56.88 2x6j h ASP 809 Cb 0.56 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2x6j h ASP 809 CO -0.01 0.55 -1.32 0.78 -1.72 0.00 0.00 179.24 177.53 2x6j h ASN 810 N 0.07 0.42 -3.32 6.45 4.21 -0.13 -3.45 115.58 119.83 2x6j h ASN 810 Ca 0.00 -0.48 -0.54 0.00 1.21 0.00 0.00 56.30 56.49 2x6j h ASN 810 Cb 0.87 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.90 2x6j h ASN 810 CO 0.07 1.38 -0.16 -0.76 -1.29 0.00 0.00 177.43 176.66 2x6j s LEU 811 N -7.11 4.16 0.28 1.61 1.43 0.07 -2.90 118.68 116.21 2x6j s LEU 811 Ca -0.05 0.80 0.05 0.00 -1.03 0.00 0.00 54.13 53.90 2x6j s LEU 811 Cb 0.07 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 2x6j s LEU 811 CO 0.88 -0.08 -0.01 -0.76 0.23 0.00 0.00 176.35 176.61 2x6j s LEU 812 N -2.97 2.32 0.29 1.79 1.43 -0.90 -2.36 118.68 118.28 2x6j s LEU 812 Ca 0.45 -1.26 0.11 0.00 -1.03 0.00 0.00 54.13 52.40 2x6j s LEU 812 Cb -0.11 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.60 2x6j s LEU 812 CO 0.24 -0.47 -0.12 -0.76 0.23 0.00 0.00 176.35 175.47 2x6j s LEU 813 N -3.42 2.78 0.40 1.79 2.01 0.81 -2.62 118.68 120.42 2x6j s LEU 813 Ca 0.31 -0.97 0.08 0.00 0.01 0.00 0.00 54.13 53.56 2x6j s LEU 813 Cb 0.06 -1.24 -0.02 0.00 0.01 0.00 0.00 46.19 45.00 2x6j s LEU 813 CO 0.12 -0.03 0.36 0.28 1.01 0.00 0.00 176.35 178.09 2x6j s THR 814 N -2.49 2.84 -0.62 5.49 -1.32 -0.86 -0.78 115.64 117.90 2x6j s THR 814 Ca 0.31 -1.35 0.25 0.00 -1.21 0.00 0.00 61.69 59.69 2x6j s THR 814 Cb -0.04 -3.04 0.31 0.00 -1.51 0.00 0.00 72.50 68.22 2x6j s THR 814 CO 0.17 -0.04 1.72 0.71 -2.21 0.00 0.00 174.62 174.97 2x6j h THR 815 N 1.08 0.00 -0.01 5.08 1.35 -1.90 -2.15 112.91 116.36 2x6j h THR 815 Ca -0.42 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2x6j h THR 815 Cb 1.26 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2x6j h THR 815 CO 0.58 0.00 -0.07 0.59 -0.25 0.00 0.00 175.52 176.37 2x6j n ASN 816 N -2.55 0.71 0.00 5.36 3.02 -1.26 -4.88 115.26 115.67 2x6j n ASN 816 Ca 0.05 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 2x6j n ASN 816 Cb 0.46 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 2x6j n ASN 816 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x6j n GLY 817 N 1.20 0.72 3.92 7.41 0.00 -0.81 -4.55 105.19 113.08 2x6j n GLY 817 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2x6j n GLY 817 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x6j s LYS 818 N -0.53 3.56 0.08 1.61 1.02 -1.26 -3.22 119.74 121.00 2x6j s LYS 818 Ca 0.00 -0.05 0.05 0.00 0.02 0.00 0.00 55.97 55.98 2x6j s LYS 818 Cb 0.00 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 2x6j s LYS 818 CO 0.00 0.07 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.31 2x6j s LEU 819 N -4.17 3.40 0.33 3.17 2.96 -1.26 -2.03 118.68 121.09 2x6j s LEU 819 Ca 0.44 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.19 2x6j s LEU 819 Cb -0.10 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 2x6j s LEU 819 CO 0.36 0.19 0.15 0.72 -1.32 0.00 0.00 176.35 176.45 2x6j s PHE 820 N -1.27 1.68 0.55 5.38 -0.12 -1.08 -4.74 117.98 118.39 2x6j s PHE 820 Ca 0.24 -1.34 0.09 0.00 -0.05 0.00 0.00 56.93 55.87 2x6j s PHE 820 Cb -0.12 -0.95 0.09 0.00 -0.63 0.00 0.00 43.02 41.42 2x6j s PHE 820 CO 0.17 -0.46 0.76 0.72 -0.05 0.00 0.00 175.22 176.36 2x6j n HIS 821 N -0.67 -2.28 -3.57 3.49 8.25 -1.26 -2.13 115.22 117.04 2x6j n HIS 821 Ca -0.00 -2.03 -0.11 0.00 -0.26 0.00 0.00 57.72 55.32 2x6j n HIS 821 Cb 0.65 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 2x6j n HIS 821 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2x6j s ILE 822 N -2.45 0.01 -0.86 1.59 1.01 -1.14 -4.90 121.20 114.46 2x6j s ILE 822 Ca 0.58 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.83 2x6j s ILE 822 Cb -0.05 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 2x6j s ILE 822 CO 0.37 -0.06 0.78 -0.67 0.00 0.00 0.00 174.94 175.35 2x6j n ASP 823 N -0.36 -7.24 -4.21 3.58 2.03 -1.26 -4.86 116.55 104.23 2x6j n ASP 823 Ca -0.14 -0.35 -0.43 0.00 0.52 0.00 0.00 54.79 54.39 2x6j n ASP 823 Cb 0.63 -5.11 0.00 0.00 -0.72 0.00 0.00 41.12 35.92 2x6j n ASP 823 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2x6j n PHE 824 N -2.38 4.10 0.05 -0.67 3.72 -1.26 -4.59 117.46 116.43 2x6j n PHE 824 Ca -0.04 -3.10 0.01 0.00 -0.05 0.00 0.00 57.45 54.28 2x6j n PHE 824 Cb 0.55 -2.12 -0.06 0.00 -0.94 0.00 0.00 39.48 36.91 2x6j n PHE 824 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2x6j h GLY 825 N 9.10 0.00 -6.46 1.37 0.00 -1.89 -3.38 103.07 101.81 2x6j h GLY 825 Ca 0.36 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 47.04 2x6j h GLY 825 CO 1.43 0.00 -0.74 -0.19 0.00 0.00 0.00 176.54 177.04 2x6j s TYR 826 N -2.97 2.92 0.02 5.60 2.02 -1.26 -4.87 117.35 118.81 2x6j s TYR 826 Ca -0.02 -0.89 0.02 0.00 -0.37 0.00 0.00 57.07 55.82 2x6j s TYR 826 Cb 0.09 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.60 2x6j s TYR 826 CO 0.80 -0.47 -0.07 0.42 -1.57 0.00 0.00 175.55 174.67 2x6j s ILE 827 N 1.17 0.47 -1.27 2.71 1.09 -1.26 -1.73 121.20 122.39 2x6j s ILE 827 Ca 0.02 -0.69 -0.08 0.00 -1.10 0.00 0.00 60.65 58.81 2x6j s ILE 827 Cb -0.14 -0.48 0.01 0.00 -1.06 0.00 0.00 42.46 40.78 2x6j s ILE 827 CO -0.02 -0.16 1.10 0.18 -0.10 0.00 0.00 174.94 175.95 2x6j n LEU 828 N 2.14 -3.40 0.00 2.97 4.77 0.24 -2.51 117.00 121.21 2x6j n LEU 828 Ca -0.18 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 2x6j n LEU 828 Cb 0.56 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.75 2x6j n LEU 828 CO 0.23 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2x6j n GLY 829 N -1.84 1.14 3.74 -0.72 0.00 0.60 -4.94 105.19 103.18 2x6j n GLY 829 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2x6j n GLY 829 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x6j s ARG 830 N -0.10 4.16 -0.00 1.61 1.81 -1.05 -4.88 118.95 120.50 2x6j s ARG 830 Ca 0.00 2.51 -0.02 0.00 -1.72 0.00 0.00 55.73 56.49 2x6j s ARG 830 Cb 0.00 -3.06 -0.00 0.00 -0.45 0.00 0.00 34.95 31.43 2x6j s ARG 830 CO 0.00 -0.60 0.04 0.34 -0.68 0.00 0.00 175.30 174.39 2x6j s ASP 831 N 0.63 0.07 0.19 0.23 -1.08 -1.26 -3.93 116.67 111.52 2x6j s ASP 831 Ca 0.65 -0.17 -0.12 0.00 -0.52 0.00 0.00 52.55 52.39 2x6j s ASP 831 Cb -0.46 0.12 0.21 0.00 -1.46 0.00 0.00 42.92 41.32 2x6j s ASP 831 CO 0.43 -0.18 1.72 1.55 0.52 0.00 0.00 175.17 179.21 2x6j h PRO 832 N 5.25 0.26 -7.29 4.34 0.13 -1.96 -3.44 132.00 129.29 2x6j h PRO 832 Ca -0.28 -0.02 -0.51 0.00 -0.87 0.00 0.00 66.00 64.32 2x6j h PRO 832 Cb 1.21 -0.06 0.11 0.00 0.13 0.00 0.00 31.00 32.38 2x6j h PRO 832 CO 0.44 0.17 0.35 0.15 -0.23 0.00 0.00 178.00 178.88 2x6j s LYS 833 N -6.13 2.67 0.19 0.86 1.02 -1.26 -5.00 119.74 112.08 2x6j s LYS 833 Ca -0.13 1.14 -0.07 0.00 0.02 0.00 0.00 55.97 56.93 2x6j s LYS 833 Cb 0.16 -1.95 0.09 0.00 -0.52 0.00 0.00 37.83 35.61 2x6j s LYS 833 CO 0.73 -1.32 1.58 -1.00 -0.92 0.00 0.00 175.35 174.41 2x6j h PRO 834 N -0.64 0.87 -3.26 -1.68 0.13 -2.03 -3.42 132.00 121.96 2x6j h PRO 834 Ca -0.44 -0.38 -0.59 0.00 -0.87 0.00 0.00 66.00 63.72 2x6j h PRO 834 Cb 1.23 -0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 2x6j h PRO 834 CO 0.54 1.02 -0.76 -1.64 -0.23 0.00 0.00 178.00 176.93 2x6j s MET 835 N -4.58 0.87 0.49 0.86 -1.94 -1.26 -5.10 119.30 108.64 2x6j s MET 835 Ca -0.10 -1.39 -0.23 0.00 -1.71 0.00 0.00 55.69 52.26 2x6j s MET 835 Cb 0.12 -2.01 -0.07 0.00 2.01 0.00 0.00 34.83 34.88 2x6j s MET 835 CO 0.85 -1.07 1.24 -1.25 -0.01 0.00 0.00 175.02 174.79 2x6j s PRO 836 N 1.16 3.54 0.50 2.03 0.04 -1.26 -5.01 135.00 136.00 2x6j s PRO 836 Ca 0.13 1.96 -0.21 0.00 0.04 0.00 0.00 61.00 62.92 2x6j s PRO 836 Cb -0.20 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 31.90 2x6j s PRO 836 CO -0.14 -0.78 1.12 -2.14 0.04 0.00 0.00 177.00 175.09 2x6j s PRO 837 N -2.75 3.62 0.31 0.56 0.02 -1.26 -4.96 135.00 130.53 2x6j s PRO 837 Ca 0.66 1.61 0.06 0.00 0.02 0.00 0.00 61.00 63.35 2x6j s PRO 837 Cb -0.33 -2.18 0.50 0.00 0.02 0.00 0.00 34.50 32.51 2x6j s PRO 837 CO 0.40 -0.63 1.74 -1.00 -0.33 0.00 0.00 177.00 177.18 2x6j h PRO 838 N 1.61 0.30 -6.60 5.54 0.13 -1.95 -3.41 132.00 127.62 2x6j h PRO 838 Ca -0.50 -0.12 -0.69 0.00 -0.87 0.00 0.00 66.00 63.82 2x6j h PRO 838 Cb 1.25 -0.01 -0.26 0.00 0.13 0.00 0.00 31.00 32.10 2x6j h PRO 838 CO 0.59 0.59 -0.85 1.41 -0.23 0.00 0.00 178.00 179.51 2x6j s MET 839 N -4.34 2.07 -0.56 0.86 1.75 -1.26 -4.84 119.30 112.98 2x6j s MET 839 Ca -0.05 -0.96 -0.09 0.00 -1.25 0.00 0.00 55.69 53.34 2x6j s MET 839 Cb 0.14 -2.11 0.14 0.00 2.84 0.00 0.00 34.83 35.84 2x6j s MET 839 CO 0.77 0.55 0.44 0.15 -0.65 0.00 0.00 175.02 176.28 2x6j s LYS 840 N -1.01 2.70 -0.09 4.11 -0.14 -1.26 -4.81 119.74 119.25 2x6j s LYS 840 Ca 0.12 -2.01 0.01 0.00 -1.36 0.00 0.00 55.97 52.73 2x6j s LYS 840 Cb -0.10 -4.00 0.02 0.00 -1.68 0.00 0.00 37.83 32.07 2x6j s LYS 840 CO 0.02 -1.22 -0.10 -0.51 -0.76 0.00 0.00 175.35 172.78 2x6j s LEU 841 N 0.94 1.42 0.58 3.17 1.43 -1.26 -4.93 118.68 120.04 2x6j s LEU 841 Ca 0.09 -0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 52.73 2x6j s LEU 841 Cb -0.23 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 2x6j s LEU 841 CO -0.02 -0.04 1.11 -0.55 0.23 0.00 0.00 176.35 177.08 2x6j s SER 842 N 1.15 5.54 0.39 2.29 0.15 -1.26 -4.91 113.70 117.05 2x6j s SER 842 Ca -0.06 2.08 0.18 0.00 0.70 0.00 0.00 55.95 58.86 2x6j s SER 842 Cb -0.14 -2.57 1.10 0.00 -1.71 0.00 0.00 66.02 62.70 2x6j s SER 842 CO -0.02 -1.34 1.76 0.50 1.20 0.00 0.00 173.24 175.34 2x6j h LYS 843 N 0.76 0.39 0.00 5.44 3.64 -1.99 -1.89 116.57 122.92 2x6j h LYS 843 Ca -0.49 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 58.74 2x6j h LYS 843 Cb 1.25 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2x6j h LYS 843 CO 0.56 0.26 -0.60 0.93 -2.27 0.00 0.00 179.45 178.32 2x6j h GLU 844 N 0.40 0.00 0.01 1.90 3.07 -1.95 -1.35 114.58 116.65 2x6j h GLU 844 Ca 0.61 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 59.25 2x6j h GLU 844 Cb 1.52 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.43 2x6j h GLU 844 CO -0.32 0.60 -0.94 0.52 -1.40 0.00 0.00 179.01 177.48 2x6j h MET 845 N 0.00 0.30 -0.11 2.33 2.86 -1.72 -1.94 114.93 116.66 2x6j h MET 845 Ca -0.01 -0.34 -0.22 0.00 -2.06 0.00 0.00 59.70 57.08 2x6j h MET 845 Cb 1.40 0.10 0.01 0.00 0.06 0.00 0.00 31.60 33.17 2x6j h MET 845 CO 0.08 1.05 -0.81 0.28 1.06 0.00 0.00 176.91 178.57 2x6j h VAL 846 N 0.16 1.31 -0.02 -2.22 2.07 -1.23 -2.54 116.25 113.79 2x6j h VAL 846 Ca -0.07 -2.08 -0.11 0.00 0.82 0.00 0.00 66.70 65.26 2x6j h VAL 846 Cb 1.58 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.42 2x6j h VAL 846 CO 0.15 0.65 -0.52 -0.33 0.02 0.00 0.00 177.57 177.53 2x6j h GLU 847 N 0.44 0.04 0.00 1.57 5.08 -1.27 -2.07 114.58 118.37 2x6j h GLU 847 Ca -0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2x6j h GLU 847 Cb 1.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 2x6j h GLU 847 CO 0.16 0.56 -0.03 0.00 -1.00 0.00 0.00 179.01 178.69 2x6j h ALA 848 N 1.44 1.26 -0.53 3.43 0.00 -0.90 0.12 119.26 124.08 2x6j h ALA 848 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2x6j h ALA 848 Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2x6j h ALA 848 CO 0.07 0.04 0.00 -1.33 0.00 0.00 0.00 179.25 178.03 2x6j n MET 849 N -3.50 2.44 -2.12 0.00 2.81 -0.79 -4.92 117.12 111.04 2x6j n MET 849 Ca -0.02 -2.21 -0.01 0.00 -1.81 0.00 0.00 57.70 53.64 2x6j n MET 849 Cb 0.14 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 2x6j n MET 849 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2x6j n GLY 850 N 1.49 0.41 0.00 3.03 0.00 0.43 -4.13 105.19 106.43 2x6j n GLY 850 Ca 0.21 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2x6j n GLY 850 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x6j n GLY 851 N -0.93 -1.18 0.37 -0.02 0.00 -1.13 -4.36 105.19 97.94 2x6j n GLY 851 Ca -0.01 -1.58 0.01 0.00 0.00 0.00 0.00 46.02 44.44 2x6j n GLY 851 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2x6j h ILE 852 N 0.00 1.16 -3.44 -0.61 6.09 -1.91 -3.33 117.51 115.46 2x6j h ILE 852 Ca 0.00 -0.40 -0.71 0.00 -1.37 0.00 0.00 64.86 62.38 2x6j h ILE 852 Cb 0.00 -0.11 -0.33 0.00 0.47 0.00 0.00 36.82 36.85 2x6j h ILE 852 CO 0.00 0.21 -0.46 -0.55 -3.07 0.00 0.00 178.15 174.28 2x6j s SER 853 N -6.10 5.42 0.12 2.19 0.15 -1.26 -4.81 113.70 109.42 2x6j s SER 853 Ca -0.12 -2.13 -0.17 0.00 0.70 0.00 0.00 55.95 54.24 2x6j s SER 853 Cb 0.19 -1.90 0.04 0.00 -1.71 0.00 0.00 66.02 62.64 2x6j s SER 853 CO 0.81 -0.57 0.41 -0.94 1.20 0.00 0.00 173.24 174.15 2x6j s SER 854 N 1.93 -0.26 0.40 5.45 1.04 -1.25 -5.02 113.70 116.00 2x6j s SER 854 Ca 0.09 -0.29 0.09 0.00 0.48 0.00 0.00 55.95 56.32 2x6j s SER 854 Cb -0.23 0.48 0.83 0.00 0.10 0.00 0.00 66.02 67.20 2x6j s SER 854 CO -0.03 -0.85 1.97 -0.08 0.98 0.00 0.00 173.24 175.23 2x6j h GLU 855 N 2.36 0.33 0.01 4.02 4.81 -1.93 -2.99 114.58 121.20 2x6j h GLU 855 Ca -0.34 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 58.64 2x6j h GLU 855 Cb 1.26 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2x6j h GLU 855 CO 0.46 0.35 -0.91 0.45 -0.73 0.00 0.00 179.01 178.64 2x6j h HIS 856 N 0.33 0.25 -0.16 0.92 3.86 -1.95 -2.17 115.15 116.22 2x6j h HIS 856 Ca 0.08 -0.14 -0.13 0.00 -1.16 0.00 0.00 60.37 59.01 2x6j h HIS 856 Cb 0.21 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2x6j h HIS 856 CO 0.00 0.98 -0.47 1.25 0.86 0.00 0.00 177.93 180.56 2x6j h HIS 857 N 0.08 0.50 -0.11 2.45 -0.00 -1.68 -1.39 115.15 115.00 2x6j h HIS 857 Ca -0.04 -0.16 -0.16 0.00 -0.00 0.00 0.00 60.37 60.01 2x6j h HIS 857 Cb 1.56 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.86 2x6j h HIS 857 CO 0.03 0.81 -0.62 1.25 -0.00 0.00 0.00 177.93 179.39 2x6j h HIS 858 N 0.33 0.52 -0.16 5.26 6.17 -1.50 -1.99 115.15 123.78 2x6j h HIS 858 Ca 0.02 -0.20 -0.08 0.00 0.71 0.00 0.00 60.37 60.81 2x6j h HIS 858 Cb 0.95 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.78 2x6j h HIS 858 CO 0.03 0.92 -0.27 0.93 0.71 0.00 0.00 177.93 180.24 2x6j h GLU 859 N 0.30 0.29 -0.05 5.26 4.39 -0.93 -1.65 114.58 122.18 2x6j h GLU 859 Ca -0.01 -0.10 -0.19 0.00 0.34 0.00 0.00 59.36 59.40 2x6j h GLU 859 Cb 1.16 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.80 2x6j h GLU 859 CO 0.11 0.54 -0.70 0.35 -1.16 0.00 0.00 179.01 178.15 2x6j h PHE 860 N 0.26 0.81 -0.16 4.33 3.57 -0.58 -2.31 116.94 122.86 2x6j h PHE 860 Ca 0.04 -0.40 -0.16 0.00 3.53 0.00 0.00 57.97 60.98 2x6j h PHE 860 Cb 0.62 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2x6j h PHE 860 CO 0.01 1.21 -0.57 0.00 -2.23 0.00 0.00 178.31 176.74 2x6j h ARG 861 N 0.17 0.50 -0.70 1.11 3.08 -1.22 -0.70 114.38 116.62 2x6j h ARG 861 Ca -0.07 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.59 2x6j h ARG 861 Cb 1.37 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.43 2x6j h ARG 861 CO 0.14 0.93 0.18 -0.22 -1.07 0.00 0.00 179.97 179.93 2x6j h LYS 862 N 0.38 1.11 -0.32 0.04 3.64 -1.28 -2.07 116.57 118.06 2x6j h LYS 862 Ca 0.00 -0.26 -0.17 0.00 -1.27 0.00 0.00 60.65 58.95 2x6j h LYS 862 Cb 1.10 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2x6j h LYS 862 CO 0.10 0.98 -0.45 0.37 -2.27 0.00 0.00 179.45 178.18 2x6j h GLN 863 N 1.05 0.85 -0.83 1.90 5.75 -0.90 -2.19 115.11 120.73 2x6j h GLN 863 Ca 0.22 -0.48 -0.02 0.00 -0.15 0.00 0.00 58.65 58.21 2x6j h GLN 863 Cb 0.36 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 2x6j h GLN 863 CO 0.00 1.12 0.42 0.00 -2.65 0.00 0.00 178.83 177.73 2x6j h TYR 865 N 1.17 0.93 -0.45 0.00 0.05 -0.84 -0.82 116.97 117.00 2x6j h TYR 865 Ca 0.29 -0.36 -0.10 0.00 0.05 0.00 0.00 58.73 58.61 2x6j h TYR 865 Cb 0.08 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 2x6j h TYR 865 CO 0.01 1.16 -0.11 1.79 -1.05 0.00 0.00 178.16 179.96 2x6j h THR 866 N 0.52 1.26 -0.06 -2.88 1.35 -1.18 -0.87 112.91 111.06 2x6j h THR 866 Ca -0.01 -1.19 -0.17 0.00 -0.55 0.00 0.00 66.41 64.49 2x6j h THR 866 Cb 1.24 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 2x6j h THR 866 CO 0.13 0.41 -0.71 0.00 -0.25 0.00 0.00 175.52 175.10 2x6j h ALA 867 N 1.13 0.67 -0.26 6.62 0.00 -0.89 -1.58 119.26 124.95 2x6j h ALA 867 Ca 0.12 -0.60 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 2x6j h ALA 867 Cb 0.61 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2x6j h ALA 867 CO 0.04 0.78 -0.52 -0.92 0.00 0.00 0.00 179.25 178.63 2x6j h TYR 868 N 0.22 0.93 -0.22 0.00 3.20 -0.47 -2.07 116.97 118.56 2x6j h TYR 868 Ca -0.02 -0.32 -0.16 0.00 3.14 0.00 0.00 58.73 61.37 2x6j h TYR 868 Cb 1.27 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 2x6j h TYR 868 CO 0.03 1.10 -0.50 -0.07 -1.64 0.00 0.00 178.16 177.09 2x6j h LEU 869 N 0.58 0.66 -0.58 2.82 3.38 -0.59 -0.87 115.31 120.72 2x6j h LEU 869 Ca 0.02 -0.33 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 2x6j h LEU 869 Cb 1.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2x6j h LEU 869 CO 0.11 1.05 -0.47 0.45 0.09 0.00 0.00 178.44 179.67 2x6j h HIS 870 N 0.47 0.72 -0.10 1.13 3.86 -1.07 -2.51 115.15 117.66 2x6j h HIS 870 Ca 0.02 -0.23 -0.19 0.00 -1.16 0.00 0.00 60.37 58.81 2x6j h HIS 870 Cb 1.04 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.36 2x6j h HIS 870 CO 0.05 0.95 -0.72 -0.07 0.86 0.00 0.00 177.93 178.99 2x6j h LEU 871 N 0.47 0.57 -1.30 2.43 3.38 -0.98 -2.13 115.31 117.76 2x6j h LEU 871 Ca 0.03 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.70 2x6j h LEU 871 Cb 1.00 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 2x6j h LEU 871 CO 0.09 1.12 0.52 0.03 0.09 0.00 0.00 178.44 180.29 2x6j h ARG 872 N 0.33 0.80 0.00 1.13 3.08 -0.86 0.31 114.38 119.18 2x6j h ARG 872 Ca -0.03 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 2x6j h ARG 872 Cb 1.30 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 2x6j h ARG 872 CO 0.13 0.53 -0.51 0.00 -1.07 0.00 0.00 179.97 179.05 2x6j h ARG 873 N 0.82 0.00 -0.58 0.04 3.08 -0.96 -3.17 114.38 113.62 2x6j h ARG 873 Ca 0.35 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.07 2x6j h ARG 873 Cb 0.29 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.15 2x6j h ARG 873 CO -0.13 0.51 0.09 0.72 -1.07 0.00 0.00 179.97 180.09 2x6j n HIS 874 N -3.92 1.82 0.20 3.04 8.25 0.08 -4.74 115.22 119.95 2x6j n HIS 874 Ca -0.01 -1.84 -0.16 0.00 -0.26 0.00 0.00 57.72 55.45 2x6j n HIS 874 Cb 0.52 -0.66 -0.08 0.00 1.12 0.00 0.00 29.99 30.89 2x6j n HIS 874 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2x6j h ALA 875 N 1.17 -0.81 -0.99 -1.41 0.00 -1.49 -3.22 119.26 112.51 2x6j h ALA 875 Ca 0.36 -0.12 0.37 0.00 0.00 0.00 0.00 54.91 55.52 2x6j h ALA 875 Cb 1.84 0.60 -0.18 0.00 0.00 0.00 0.00 17.79 20.06 2x6j h ALA 875 CO 0.67 -1.00 0.36 0.09 0.00 0.00 0.00 179.25 179.37 2x6j n ASN 876 N -5.48 0.19 -0.09 0.00 3.02 -1.26 -0.47 115.26 111.16 2x6j n ASN 876 Ca -0.09 1.65 -0.11 0.00 -0.03 0.00 0.00 54.58 56.00 2x6j n ASN 876 Cb 0.39 -0.74 -0.04 0.00 -0.61 0.00 0.00 39.78 38.78 2x6j n ASN 876 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2x6j h VAL 877 N 0.00 1.24 -0.26 2.41 2.07 -1.93 0.15 116.25 119.93 2x6j h VAL 877 Ca 0.76 -0.84 -0.16 0.00 0.82 0.00 0.00 66.70 67.28 2x6j h VAL 877 Cb 1.88 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2x6j h VAL 877 CO -0.82 0.27 -0.49 0.24 0.02 0.00 0.00 177.57 176.79 2x6j h MET 878 N 0.26 0.72 -0.11 1.57 2.86 -0.94 -1.35 114.93 117.94 2x6j h MET 878 Ca 0.08 -0.43 -0.10 0.00 -2.06 0.00 0.00 59.70 57.19 2x6j h MET 878 Cb 0.37 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2x6j h MET 878 CO 0.01 1.05 -0.40 -0.07 1.06 0.00 0.00 176.91 178.56 2x6j h LEU 879 N 0.57 0.26 -0.29 1.22 3.38 -0.93 -1.90 115.31 117.61 2x6j h LEU 879 Ca 0.03 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 2x6j h LEU 879 Cb 1.06 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2x6j h LEU 879 CO 0.10 0.63 -0.87 0.78 0.09 0.00 0.00 178.44 179.18 2x6j h ASN 880 N 0.21 0.13 0.49 -0.43 2.35 -0.05 -0.59 115.58 117.69 2x6j h ASN 880 Ca 0.02 -0.11 -0.18 0.00 -0.55 0.00 0.00 56.30 55.48 2x6j h ASN 880 Cb 0.80 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 2x6j h ASN 880 CO 0.06 0.93 -0.77 -0.07 -1.65 0.00 0.00 177.43 175.94 2x6j h LEU 881 N 0.05 0.27 -0.09 1.61 3.38 -0.86 -2.95 115.31 116.72 2x6j h LEU 881 Ca -0.03 -0.19 -0.24 0.00 0.09 0.00 0.00 57.88 57.51 2x6j h LEU 881 Cb 1.51 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2x6j h LEU 881 CO 0.12 0.93 -1.03 -0.26 0.09 0.00 0.00 178.44 178.30 2x6j h PHE 882 N 0.14 0.60 -0.35 1.13 0.04 -1.17 -2.53 116.94 114.80 2x6j h PHE 882 Ca -0.03 -0.35 0.09 0.00 2.80 0.00 0.00 57.97 60.48 2x6j h PHE 882 Cb 1.34 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 39.42 2x6j h PHE 882 CO 0.03 1.20 0.25 1.03 -0.60 0.00 0.00 178.31 180.21 2x6j h SER 883 N 0.19 0.05 0.57 2.17 0.87 -1.05 -0.98 113.55 115.38 2x6j h SER 883 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2x6j h SER 883 Cb 1.69 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 2x6j h SER 883 CO 0.18 0.03 -0.75 0.18 -0.53 0.00 0.00 176.83 175.94 2x6j n LEU 884 N -4.45 0.62 -1.95 2.23 4.77 -0.98 -3.78 117.00 113.47 2x6j n LEU 884 Ca 0.05 0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2x6j n LEU 884 Cb 0.39 -0.16 0.31 0.00 -2.33 0.00 0.00 43.42 41.62 2x6j n LEU 884 CO 0.36 0.04 1.01 0.23 -1.33 0.00 0.00 177.39 177.70 2x6j n MET 885 N -1.86 3.75 0.04 3.23 2.81 -0.37 -4.61 117.12 120.11 2x6j n MET 885 Ca 0.03 -3.10 -0.13 0.00 -1.81 0.00 0.00 57.70 52.70 2x6j n MET 885 Cb 0.40 -2.21 -0.09 0.00 -0.71 0.00 0.00 33.22 30.62 2x6j n MET 885 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2x6j h VAL 886 N 2.71 1.13 -0.61 2.03 2.07 -1.65 -2.97 116.25 118.96 2x6j h VAL 886 Ca 0.24 -0.73 -0.35 0.00 0.82 0.00 0.00 66.70 66.69 2x6j h VAL 886 Cb 2.28 1.60 -0.18 0.00 -1.52 0.00 0.00 31.29 33.47 2x6j h VAL 886 CO 0.70 0.18 0.45 0.47 0.02 0.00 0.00 177.57 179.39 2x6j n ASP 887 N -4.98 4.62 0.09 0.57 8.00 -1.26 -4.71 116.55 118.87 2x6j n ASP 887 Ca -0.08 -3.07 0.13 0.00 0.71 0.00 0.00 54.79 52.47 2x6j n ASP 887 Cb 0.20 -0.82 0.46 0.00 -0.02 0.00 0.00 41.12 40.93 2x6j n ASP 887 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x6j n ALA 888 N -0.32 2.13 -2.74 2.24 0.00 -1.12 -4.92 120.51 115.77 2x6j n ALA 888 Ca 0.37 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.58 2x6j n ALA 888 Cb 1.00 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 19.02 2x6j n ALA 888 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2x6j n THR 889 N -2.08 -1.42 -3.64 0.00 5.66 -1.26 -4.99 114.28 106.55 2x6j n THR 889 Ca 0.05 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.67 2x6j n THR 889 Cb 0.36 -3.04 -0.11 0.00 -1.55 0.00 0.00 70.33 65.98 2x6j n THR 889 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2x6j s VAL 890 N -3.07 4.88 0.21 1.08 1.01 -1.26 -4.88 120.40 118.36 2x6j s VAL 890 Ca 0.16 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 2x6j s VAL 890 Cb -0.07 -3.38 0.21 0.00 0.00 0.00 0.00 36.38 33.14 2x6j s VAL 890 CO 0.20 0.20 1.61 1.55 0.00 0.00 0.00 175.10 178.65 2x6j h PRO 891 N 8.35 -0.06 -0.13 2.72 0.13 -1.97 -0.53 132.00 140.50 2x6j h PRO 891 Ca -0.35 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.82 2x6j h PRO 891 Cb 1.17 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2x6j h PRO 891 CO 0.58 -0.04 0.11 -0.44 -0.23 0.00 0.00 178.00 177.98 2x6j h ASP 892 N -0.06 0.00 0.97 1.44 5.19 -1.91 -0.03 116.42 122.02 2x6j h ASP 892 Ca 0.29 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.52 2x6j h ASP 892 Cb 0.51 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.99 2x6j h ASP 892 CO -0.68 0.00 -1.10 0.40 -3.12 0.00 0.00 179.24 174.74 2x6j h ILE 893 N 0.00 0.92 0.00 0.35 2.04 -1.49 -3.36 117.51 115.96 2x6j h ILE 893 Ca 0.06 -2.47 -0.07 0.00 1.00 0.00 0.00 64.86 63.38 2x6j h ILE 893 Cb 0.28 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2x6j h ILE 893 CO -0.00 0.52 -0.31 0.00 0.00 0.00 0.00 178.15 178.36 2x6j h ALA 894 N 1.29 1.00 -0.27 1.87 0.00 0.39 -2.09 119.26 121.45 2x6j h ALA 894 Ca -0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2x6j h ALA 894 Cb 1.63 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 2x6j h ALA 894 CO 0.07 0.39 -0.02 -0.07 0.00 0.00 0.00 179.25 179.62 2x6j h LEU 895 N 0.00 0.49 -6.90 0.00 4.07 -1.68 -3.37 115.31 107.92 2x6j h LEU 895 Ca -0.00 -0.33 -0.50 0.00 0.08 0.00 0.00 57.88 57.12 2x6j h LEU 895 Cb 0.85 -0.13 -0.40 0.00 1.08 0.00 0.00 40.66 42.05 2x6j h LEU 895 CO 0.04 0.70 -0.77 -0.70 -1.08 0.00 0.00 178.44 176.64 2x6j s GLU 896 N -4.90 0.15 0.21 1.13 -6.30 -1.22 -5.04 118.70 102.74 2x6j s GLU 896 Ca -0.13 -0.35 -0.20 0.00 -2.50 0.00 0.00 54.97 51.78 2x6j s GLU 896 Cb 0.08 -1.45 0.18 0.00 0.00 0.00 0.00 34.13 32.94 2x6j s GLU 896 CO 0.76 -0.87 1.55 -1.35 0.02 0.00 0.00 175.26 175.37 2x6j h PRO 897 N 8.41 -0.02 -0.35 4.30 0.11 -1.54 -2.97 132.00 139.93 2x6j h PRO 897 Ca -0.18 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.84 2x6j h PRO 897 Cb 1.07 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2x6j h PRO 897 CO 0.38 -0.02 -0.14 -0.44 -0.21 0.00 0.00 178.00 177.57 2x6j h ASP 898 N -0.03 0.73 0.45 -2.05 5.19 -1.90 -3.13 116.42 115.68 2x6j h ASP 898 Ca 0.31 -0.39 -0.05 0.00 -0.62 0.00 0.00 57.03 56.28 2x6j h ASP 898 Cb 0.57 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 2x6j h ASP 898 CO -0.94 0.96 -0.22 0.11 -3.12 0.00 0.00 179.24 176.03 2x6j h LYS 899 N 0.50 0.00 -0.78 3.56 1.57 -1.90 -3.13 116.57 116.39 2x6j h LYS 899 Ca 0.08 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2x6j h LYS 899 Cb 0.67 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 2x6j h LYS 899 CO 0.05 0.22 0.49 0.00 -0.57 0.00 0.00 179.45 179.63 2x6j h ALA 900 N 1.78 1.04 -0.08 3.86 0.00 -1.47 0.63 119.26 125.02 2x6j h ALA 900 Ca -0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 2x6j h ALA 900 Cb 0.50 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2x6j h ALA 900 CO 0.03 0.26 -0.84 0.28 0.00 0.00 0.00 179.25 178.98 2x6j h VAL 901 N 0.93 1.32 -0.14 0.00 2.07 -1.71 -3.05 116.25 115.68 2x6j h VAL 901 Ca 0.32 -2.14 -0.09 0.00 0.82 0.00 0.00 66.70 65.61 2x6j h VAL 901 Cb 0.07 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2x6j h VAL 901 CO -0.13 0.66 -0.33 0.50 0.02 0.00 0.00 177.57 178.29 2x6j h LYS 902 N 0.40 0.27 -0.08 1.57 3.64 -1.49 -2.89 116.57 117.99 2x6j h LYS 902 Ca -0.07 -0.11 -0.19 0.00 -1.27 0.00 0.00 60.65 59.01 2x6j h LYS 902 Cb 1.46 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.27 2x6j h LYS 902 CO 0.16 0.57 -0.76 0.87 -2.27 0.00 0.00 179.45 178.03 2x6j h LYS 903 N 0.24 0.46 0.00 1.90 1.57 -0.77 -1.73 116.57 118.23 2x6j h LYS 903 Ca 0.03 -0.39 -0.13 0.00 -1.87 0.00 0.00 60.65 58.30 2x6j h LYS 903 Cb 0.70 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2x6j h LYS 903 CO 0.05 1.02 -0.60 0.28 -0.57 0.00 0.00 179.45 179.63 2x6j h VAL 904 N 0.31 1.33 -0.02 0.50 2.07 -1.48 -1.95 116.25 117.01 2x6j h VAL 904 Ca -0.04 -2.14 -0.18 0.00 0.82 0.00 0.00 66.70 65.16 2x6j h VAL 904 Cb 1.34 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 2x6j h VAL 904 CO 0.13 0.59 -0.78 -0.08 0.02 0.00 0.00 177.57 177.45 2x6j h GLU 905 N 0.00 0.21 -0.02 1.57 4.81 -1.26 -2.48 114.58 117.41 2x6j h GLU 905 Ca -0.01 -0.20 -0.22 0.00 -0.13 0.00 0.00 59.36 58.80 2x6j h GLU 905 Cb 1.14 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2x6j h GLU 905 CO 0.08 0.89 -0.90 1.49 -0.73 0.00 0.00 179.01 179.84 2x6j h GLU 906 N 0.13 0.44 0.00 1.92 4.22 -0.85 -2.67 114.58 117.78 2x6j h GLU 906 Ca -0.03 -0.45 -0.08 0.00 0.08 0.00 0.00 59.36 58.88 2x6j h GLU 906 Cb 1.37 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2x6j h GLU 906 CO 0.12 1.10 -0.37 -0.91 -2.18 0.00 0.00 179.01 176.78 2x6j h ASN 907 N 0.26 0.00 1.00 1.04 4.21 -1.21 -2.81 115.58 118.07 2x6j h ASN 907 Ca -0.07 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.28 2x6j h ASN 907 Cb 1.53 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.71 2x6j h ASN 907 CO 0.16 0.37 -0.74 -0.07 -1.29 0.00 0.00 177.43 175.85 2x6j h LEU 908 N 0.00 0.00 -0.97 1.61 3.38 -1.11 -3.48 115.31 114.75 2x6j h LEU 908 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2x6j h LEU 908 Cb 0.82 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.64 2x6j h LEU 908 CO 0.05 0.74 -0.34 1.67 0.09 0.00 0.00 178.44 180.65 2x6j n GLN 909 N -3.45 -3.95 0.27 1.13 -0.06 -1.06 -4.87 117.38 105.39 2x6j n GLN 909 Ca 0.00 0.41 0.13 0.00 -2.00 0.00 0.00 57.00 55.54 2x6j n GLN 909 Cb 0.78 -4.18 0.74 0.00 -4.06 0.00 0.00 30.24 23.52 2x6j n GLN 909 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2x6j h LEU 910 N -1.33 0.00 -0.47 1.69 3.38 -1.86 -2.64 115.31 114.08 2x6j h LEU 910 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2x6j h LEU 910 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2x6j h LEU 910 CO 0.28 0.11 0.30 1.23 0.09 0.00 0.00 178.44 180.45 2x6j h GLY 911 N 0.82 0.68 -2.84 0.83 0.00 -1.92 -3.44 103.07 97.20 2x6j h GLY 911 Ca -0.00 -0.27 -0.53 0.00 0.00 0.00 0.00 47.33 46.53 2x6j h GLY 911 CO 0.01 0.26 0.57 1.08 0.00 0.00 0.00 176.54 178.46 2x6j s LEU 912 N -10.11 3.95 0.81 3.11 1.43 -1.00 -5.00 118.68 111.88 2x6j s LEU 912 Ca -0.13 2.59 -0.11 0.00 -1.03 0.00 0.00 54.13 55.45 2x6j s LEU 912 Cb 0.12 -4.22 0.09 0.00 0.03 0.00 0.00 46.19 42.21 2x6j s LEU 912 CO 0.74 -1.25 1.13 0.28 0.23 0.00 0.00 176.35 177.48 2x6j s THR 913 N -1.39 2.69 0.35 5.49 -1.32 -1.26 -4.74 115.64 115.46 2x6j s THR 913 Ca 0.67 0.24 0.11 0.00 -1.21 0.00 0.00 61.69 61.50 2x6j s THR 913 Cb -0.36 -2.56 0.33 0.00 -1.51 0.00 0.00 72.50 68.41 2x6j s THR 913 CO 0.43 -0.27 1.83 0.44 -2.21 0.00 0.00 174.62 174.84 2x6j h ASP 914 N -1.23 0.63 0.66 8.08 5.19 -1.97 0.20 116.42 127.99 2x6j h ASP 914 Ca -0.44 0.06 -0.20 0.00 -0.62 0.00 0.00 57.03 55.83 2x6j h ASP 914 Cb 1.26 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 2x6j h ASP 914 CO 0.47 0.26 -0.90 -0.33 -3.12 0.00 0.00 179.24 175.63 2x6j h GLU 915 N 0.64 0.15 -0.00 3.56 3.07 -1.99 -2.50 114.58 117.50 2x6j h GLU 915 Ca 0.51 -0.18 -0.20 0.00 -0.50 0.00 0.00 59.36 59.00 2x6j h GLU 915 Cb 0.95 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.90 2x6j h GLU 915 CO -0.26 0.95 -0.86 0.93 -1.40 0.00 0.00 179.01 178.36 2x6j h GLU 916 N 0.08 0.23 -0.01 2.33 5.08 -1.32 -2.68 114.58 118.28 2x6j h GLU 916 Ca -0.04 -0.24 -0.25 0.00 -1.00 0.00 0.00 59.36 57.83 2x6j h GLU 916 Cb 1.54 0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.87 2x6j h GLU 916 CO 0.13 0.96 -0.99 0.00 -1.00 0.00 0.00 179.01 178.11 2x6j h ALA 917 N 0.96 0.23 -0.17 3.43 0.00 -0.62 -1.79 119.26 121.30 2x6j h ALA 917 Ca -0.05 -0.69 -0.13 0.00 0.00 0.00 0.00 54.91 54.04 2x6j h ALA 917 Cb 1.48 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2x6j h ALA 917 CO 0.13 0.73 -0.45 0.28 0.00 0.00 0.00 179.25 179.95 2x6j h VAL 918 N 0.34 1.32 -0.10 0.00 2.07 -1.46 -1.38 116.25 117.05 2x6j h VAL 918 Ca -0.11 -1.64 -0.15 0.00 0.82 0.00 0.00 66.70 65.62 2x6j h VAL 918 Cb 1.63 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 2x6j h VAL 918 CO 0.19 0.50 -0.58 1.56 0.02 0.00 0.00 177.57 179.26 2x6j h GLN 919 N 0.35 0.31 -0.16 1.57 4.20 -1.33 -1.07 115.11 118.98 2x6j h GLN 919 Ca 0.02 -0.20 -0.18 0.00 0.06 0.00 0.00 58.65 58.35 2x6j h GLN 919 Cb 0.93 0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.75 2x6j h GLN 919 CO 0.08 0.80 -0.61 1.25 -0.67 0.00 0.00 178.83 179.68 2x6j h HIS 920 N 0.23 0.92 -0.42 2.96 2.76 -0.93 -2.01 115.15 118.66 2x6j h HIS 920 Ca -0.00 -0.39 -0.14 0.00 -2.20 0.00 0.00 60.37 57.64 2x6j h HIS 920 Cb 1.09 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 2x6j h HIS 920 CO 0.03 1.19 -0.29 1.25 -1.30 0.00 0.00 177.93 178.81 2x6j h LEU 921 N 0.38 0.96 -1.35 0.26 5.85 -1.01 -1.25 115.31 119.16 2x6j h LEU 921 Ca -0.03 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 2x6j h LEU 921 Cb 1.24 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 2x6j h LEU 921 CO 0.13 1.18 0.37 -0.61 -0.34 0.00 0.00 178.44 179.17 2x6j h GLN 922 N 0.78 0.81 -0.38 1.25 4.15 -1.06 -1.07 115.11 119.59 2x6j h GLN 922 Ca 0.09 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.32 2x6j h GLN 922 Cb 0.87 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2x6j h GLN 922 CO 0.08 0.56 -0.27 1.03 -1.93 0.00 0.00 178.83 178.30 2x6j h SER 923 N 0.83 0.82 -0.15 -0.69 0.87 -0.47 -1.25 113.55 113.50 2x6j h SER 923 Ca 0.22 -0.32 -0.17 0.00 -1.23 0.00 0.00 61.79 60.30 2x6j h SER 923 Cb -0.05 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 61.69 2x6j h SER 923 CO -0.04 1.04 -0.55 -0.07 -0.53 0.00 0.00 176.83 176.68 2x6j h LEU 924 N 0.68 0.75 -0.89 2.23 3.38 -0.87 -2.34 115.31 118.25 2x6j h LEU 924 Ca 0.08 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 2x6j h LEU 924 Cb 0.80 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2x6j h LEU 924 CO 0.07 1.23 0.53 -0.07 0.09 0.00 0.00 178.44 180.29 2x6j h LEU 925 N 0.32 1.08 -0.60 1.67 3.38 -1.10 -2.46 115.31 117.59 2x6j h LEU 925 Ca -0.02 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 2x6j h LEU 925 Cb 1.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2x6j h LEU 925 CO 0.12 0.83 -0.25 0.44 0.09 0.00 0.00 178.44 179.67 2x6j h ASP 926 N 1.23 0.87 0.15 -0.43 3.45 -0.96 -0.95 116.42 119.78 2x6j h ASP 926 Ca 0.32 -0.33 -0.13 0.00 0.43 0.00 0.00 57.03 57.32 2x6j h ASP 926 Cb -0.04 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.48 2x6j h ASP 926 CO -0.06 1.07 -0.46 -0.37 -1.57 0.00 0.00 179.24 177.85 2x6j h VAL 927 N 0.73 1.32 -0.04 -1.35 -1.51 -1.04 -1.75 116.25 112.62 2x6j h VAL 927 Ca 0.09 -1.66 -0.24 0.00 -1.23 0.00 0.00 66.70 63.66 2x6j h VAL 927 Cb 0.79 1.72 0.01 0.00 -2.13 0.00 0.00 31.29 31.68 2x6j h VAL 927 CO 0.07 0.51 -0.93 0.28 -1.23 0.00 0.00 177.57 176.26 2x6j h SER 928 N 0.31 0.78 0.73 4.19 0.02 -1.08 -2.34 113.55 116.15 2x6j h SER 928 Ca 0.02 -0.59 -0.20 0.00 -0.84 0.00 0.00 61.79 60.18 2x6j h SER 928 Cb 0.94 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 2x6j h SER 928 CO 0.08 1.38 -0.93 0.40 -1.14 0.00 0.00 176.83 176.62 2x6j h ILE 929 N 0.37 1.56 -0.17 3.27 2.04 -0.97 -2.51 117.51 121.10 2x6j h ILE 929 Ca -0.09 -2.87 -0.14 0.00 1.00 0.00 0.00 64.86 62.76 2x6j h ILE 929 Cb 1.57 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 40.24 2x6j h ILE 929 CO 0.18 0.83 -0.48 0.71 0.00 0.00 0.00 178.15 179.39 2x6j h THR 930 N 0.06 1.32 -0.02 -0.27 1.35 -1.22 -1.97 112.91 112.16 2x6j h THR 930 Ca -0.04 -1.69 -0.13 0.00 -0.55 0.00 0.00 66.41 64.00 2x6j h THR 930 Cb 1.59 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 69.71 2x6j h THR 930 CO 0.13 0.52 -0.58 0.00 -0.25 0.00 0.00 175.52 175.35 2x6j h ALA 931 N 1.14 1.01 0.10 6.62 0.00 -1.14 -3.17 119.26 123.82 2x6j h ALA 931 Ca 0.02 -0.52 -0.26 0.00 0.00 0.00 0.00 54.91 54.15 2x6j h ALA 931 Cb 0.97 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.70 2x6j h ALA 931 CO 0.08 0.72 -1.06 0.28 0.00 0.00 0.00 179.25 179.27 2x6j h VAL 932 N 0.04 1.34 -3.39 0.00 2.07 -1.06 -3.45 116.25 111.80 2x6j h VAL 932 Ca -0.00 -2.40 -0.55 0.00 0.82 0.00 0.00 66.70 64.56 2x6j h VAL 932 Cb 1.03 2.76 -0.04 0.00 -1.52 0.00 0.00 31.29 33.52 2x6j h VAL 932 CO 0.08 0.72 0.09 -0.04 0.02 0.00 0.00 177.57 178.44 2x6j s MET 933 N -2.94 4.42 0.05 1.57 -1.94 -0.78 -4.68 119.30 115.01 2x6j s MET 933 Ca -0.11 0.96 -0.15 0.00 -1.71 0.00 0.00 55.69 54.68 2x6j s MET 933 Cb 0.04 -3.30 -0.26 0.00 2.01 0.00 0.00 34.83 33.33 2x6j s MET 933 CO 0.90 0.48 1.13 -1.00 -0.01 0.00 0.00 175.02 176.52 2x6j h PRO 934 N 4.94 0.63 -0.73 2.03 0.13 -1.88 -2.91 132.00 134.21 2x6j h PRO 934 Ca -0.47 -0.75 0.12 0.00 -0.87 0.00 0.00 66.00 64.03 2x6j h PRO 934 Cb 1.21 0.23 -0.05 0.00 0.13 0.00 0.00 31.00 32.52 2x6j h PRO 934 CO 0.67 1.33 0.49 0.00 -0.23 0.00 0.00 178.00 180.26 2x6j h ALA 935 N 0.33 1.97 0.02 -0.56 0.00 -1.94 -0.34 119.26 118.73 2x6j h ALA 935 Ca -0.15 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 2x6j h ALA 935 Cb 1.75 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2x6j h ALA 935 CO 0.21 -0.15 -0.93 -0.07 0.00 0.00 0.00 179.25 178.31 2x6j h LEU 936 N 0.52 0.13 -0.12 0.00 3.38 -1.84 -1.86 115.31 115.51 2x6j h LEU 936 Ca 0.35 -0.12 -0.22 0.00 0.09 0.00 0.00 57.88 57.98 2x6j h LEU 936 Cb 0.65 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2x6j h LEU 936 CO -0.12 0.99 -1.00 0.58 0.09 0.00 0.00 178.44 178.98 2x6j h VAL 937 N 0.04 1.50 0.04 1.22 2.07 -1.06 -2.21 116.25 117.85 2x6j h VAL 937 Ca -0.03 -2.79 -0.22 0.00 0.82 0.00 0.00 66.70 64.48 2x6j h VAL 937 Cb 1.61 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.99 2x6j h VAL 937 CO 0.13 0.81 -1.03 1.05 0.02 0.00 0.00 177.57 178.56 2x6j h GLU 938 N 0.11 0.13 -0.45 1.57 4.11 -1.05 -2.52 114.58 116.48 2x6j h GLU 938 Ca -0.07 -0.19 -0.13 0.00 0.07 0.00 0.00 59.36 59.03 2x6j h GLU 938 Cb 1.67 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.98 2x6j h GLU 938 CO 0.16 1.04 -0.24 0.37 0.07 0.00 0.00 179.01 180.41 2x6j h GLN 939 N 0.05 0.93 -0.30 1.06 4.15 -1.33 -1.63 115.11 118.04 2x6j h GLN 939 Ca -0.06 -0.41 -0.11 0.00 0.77 0.00 0.00 58.65 58.85 2x6j h GLN 939 Cb 1.74 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.39 2x6j h GLN 939 CO 0.15 1.07 -0.26 0.82 -1.93 0.00 0.00 178.83 178.68 2x6j h ILE 940 N 0.80 1.27 -0.53 2.39 2.04 -1.30 -1.56 117.51 120.62 2x6j h ILE 940 Ca 0.10 -1.34 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 2x6j h ILE 940 Cb 0.81 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2x6j h ILE 940 CO 0.07 0.43 0.13 0.45 0.00 0.00 0.00 178.15 179.23 2x6j h HIS 941 N 0.52 0.83 -0.10 1.37 3.86 -1.04 -1.08 115.15 119.52 2x6j h HIS 941 Ca 0.07 -0.07 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 2x6j h HIS 941 Cb 0.72 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2x6j h HIS 941 CO 0.03 0.70 -0.35 0.00 0.86 0.00 0.00 177.93 179.17 2x6j h ARG 942 N 0.79 0.19 0.04 2.45 3.08 -0.35 -1.58 114.38 119.01 2x6j h ARG 942 Ca 0.17 -0.08 -0.23 0.00 0.07 0.00 0.00 59.98 59.92 2x6j h ARG 942 Cb 0.28 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2x6j h ARG 942 CO -0.00 0.52 -1.03 0.74 -1.07 0.00 0.00 179.97 179.14 2x6j h PHE 943 N 0.17 0.34 -0.26 3.04 0.05 -0.66 -2.21 116.94 117.41 2x6j h PHE 943 Ca 0.02 -0.22 -0.09 0.00 3.82 0.00 0.00 57.97 61.50 2x6j h PHE 943 Cb 0.70 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.61 2x6j h PHE 943 CO 0.01 1.10 -0.21 1.15 -0.18 0.00 0.00 178.31 180.18 2x6j h THR 944 N 0.09 1.25 0.00 -1.55 2.02 -0.72 -2.70 112.91 111.30 2x6j h THR 944 Ca -0.07 -1.18 -0.12 0.00 0.77 0.00 0.00 66.41 65.80 2x6j h THR 944 Cb 1.71 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 2x6j h THR 944 CO 0.16 0.38 -0.59 -0.61 0.37 0.00 0.00 175.52 175.23 2x6j h GLN 945 N 0.42 0.00 -0.19 6.66 5.75 -1.08 -3.24 115.11 123.44 2x6j h GLN 945 Ca 0.07 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2x6j h GLN 945 Cb 0.61 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 2x6j h GLN 945 CO 0.04 0.59 0.10 -0.92 -2.65 0.00 0.00 178.83 175.99 2x6j h TYR 946 N 0.00 0.24 -0.24 3.99 3.20 -1.05 0.42 116.97 123.54 2x6j h TYR 946 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2x6j h TYR 946 Cb 1.42 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.61 2x6j h TYR 946 CO 0.00 0.18 0.00 0.91 -1.64 0.00 0.00 178.16 177.61 2x6j n TRP 947 N -4.48 0.31 -0.59 -3.82 7.02 -1.22 -5.12 117.44 109.53 2x6j n TRP 947 Ca -0.00 -0.15 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 2x6j n TRP 947 Cb 0.10 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 2x6j n TRP 947 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54