#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u9j s THR 316 N 0.00 2.88 -0.34 8.89 2.01 -0.67 -4.71 115.64 123.69 1u9j s THR 316 Ca 0.00 0.59 -0.18 0.00 0.31 0.00 0.00 61.69 62.42 1u9j s THR 316 Cb 0.00 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 1u9j s THR 316 CO 0.00 0.04 0.48 -0.13 -0.69 0.00 0.00 174.62 174.32 1u9j s ARG 317 N 1.38 3.65 -0.27 4.92 0.52 -1.26 -1.16 118.95 126.74 1u9j s ARG 317 Ca 0.69 -0.16 -0.09 0.00 -0.52 0.00 0.00 55.73 55.65 1u9j s ARG 317 Cb -0.41 -3.79 -0.03 0.00 0.52 0.00 0.00 34.95 31.23 1u9j s ARG 317 CO 0.31 -0.59 0.12 0.08 0.02 0.00 0.00 175.30 175.24 1u9j s VAL 318 N 2.32 4.68 -0.37 3.52 1.01 0.19 -0.70 120.40 131.05 1u9j s VAL 318 Ca 0.18 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 1u9j s VAL 318 Cb -0.16 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 1u9j s VAL 318 CO 0.13 0.28 0.32 -0.22 0.00 0.00 0.00 175.10 175.60 1u9j s LEU 319 N 1.66 4.67 -0.44 3.92 0.20 0.93 -0.13 118.68 129.48 1u9j s LEU 319 Ca 0.06 -0.50 -0.10 0.00 0.69 0.00 0.00 54.13 54.29 1u9j s LEU 319 Cb -0.16 -2.24 0.09 0.00 -0.43 0.00 0.00 46.19 43.46 1u9j s LEU 319 CO 0.06 -0.36 0.30 -0.63 -0.29 0.00 0.00 176.35 175.44 1u9j s ILE 320 N 1.86 4.29 -0.24 6.68 1.01 0.73 -0.77 121.20 134.75 1u9j s ILE 320 Ca 0.08 -1.53 -0.25 0.00 0.00 0.00 0.00 60.65 58.96 1u9j s ILE 320 Cb -0.17 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 1u9j s ILE 320 CO 0.11 -0.62 0.83 -0.76 0.00 0.00 0.00 174.94 174.51 1u9j s LEU 321 N 1.41 4.08 0.00 2.97 1.43 -0.64 -0.81 118.68 127.13 1u9j s LEU 321 Ca 0.04 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 1u9j s LEU 321 Cb -0.24 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1u9j s LEU 321 CO 0.01 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.69 1u9j n GLY 322 N 3.73 0.93 0.16 -3.19 0.00 0.11 -0.96 105.19 105.97 1u9j n GLY 322 Ca 0.06 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.79 1u9j n GLY 322 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1u9j h VAL 323 N 0.00 0.00 0.00 1.61 3.04 -1.46 -3.40 116.25 116.04 1u9j h VAL 323 Ca 0.00 -0.29 -0.69 0.00 -1.01 0.00 0.00 66.70 64.71 1u9j h VAL 323 Cb 0.63 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 1u9j h VAL 323 CO 0.00 0.00 3.34 -3.20 -1.01 0.00 0.00 177.57 176.70 1u9j n ASN 324 N -2.42 5.52 0.00 3.17 4.05 -1.26 -3.85 115.26 120.47 1u9j n ASN 324 Ca 0.02 -2.73 0.00 0.00 0.45 0.00 0.00 54.58 52.32 1u9j n ASN 324 Cb 0.25 -1.59 0.00 0.00 1.23 0.00 0.00 39.78 39.67 1u9j n ASN 324 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1u9j n GLY 325 N 3.93 1.12 0.18 8.20 0.00 -1.26 -4.80 105.19 112.56 1u9j n GLY 325 Ca 0.61 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1u9j n GLY 325 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1u9j h PHE 326 N 0.00 -0.56 -0.80 1.61 3.57 -1.88 -0.60 116.94 118.29 1u9j h PHE 326 Ca 0.00 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1u9j h PHE 326 Cb 0.00 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1u9j h PHE 326 CO 0.00 -0.23 0.31 0.82 -2.23 0.00 0.00 178.31 176.98 1u9j h ILE 327 N -0.30 1.26 -0.69 1.41 2.04 -1.90 -2.43 117.51 116.90 1u9j h ILE 327 Ca -0.01 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.03 1u9j h ILE 327 Cb 0.29 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1u9j h ILE 327 CO -0.09 0.34 0.45 1.23 0.00 0.00 0.00 178.15 180.08 1u9j h GLY 328 N 1.16 0.97 0.67 5.37 0.00 -1.68 0.24 103.07 109.81 1u9j h GLY 328 Ca 0.26 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1u9j h GLY 328 CO -0.02 0.33 -0.00 -0.57 0.00 0.00 0.00 176.54 176.28 1u9j h ASN 329 N 0.91 0.00 -0.41 0.19 -1.24 -0.99 -1.94 115.58 112.10 1u9j h ASN 329 Ca 0.26 -0.33 -0.15 0.00 0.71 0.00 0.00 56.30 56.79 1u9j h ASN 329 Cb -0.08 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1u9j h ASN 329 CO -0.07 0.33 -0.31 0.45 -1.29 0.00 0.00 177.43 176.54 1u9j h HIS 330 N -0.32 1.12 -0.55 0.67 3.86 -1.24 -2.15 115.15 116.53 1u9j h HIS 330 Ca 0.00 -0.31 -0.05 0.00 -1.16 0.00 0.00 60.37 58.85 1u9j h HIS 330 Cb 0.33 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1u9j h HIS 330 CO 0.04 1.14 0.15 1.25 0.86 0.00 0.00 177.93 181.36 1u9j h LEU 331 N 0.78 0.82 -0.96 2.43 6.46 -0.61 -2.12 115.31 122.10 1u9j h LEU 331 Ca 0.08 -0.22 -0.07 0.00 -0.12 0.00 0.00 57.88 57.55 1u9j h LEU 331 Cb 0.90 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 1u9j h LEU 331 CO 0.08 0.83 0.03 0.74 -0.62 0.00 0.00 178.44 179.50 1u9j h THR 332 N 0.77 1.24 -0.34 1.05 2.02 -1.28 0.81 112.91 117.18 1u9j h THR 332 Ca 0.17 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1u9j h THR 332 Cb 0.32 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1u9j h THR 332 CO -0.00 0.34 0.06 -0.08 0.37 0.00 0.00 175.52 176.20 1u9j h GLU 333 N 0.73 0.56 0.79 6.66 4.22 -1.24 -0.87 114.58 125.44 1u9j h GLU 333 Ca 0.15 -0.15 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 1u9j h GLU 333 Cb 0.41 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1u9j h GLU 333 CO 0.01 0.64 -0.40 -0.09 -2.18 0.00 0.00 179.01 176.99 1u9j h ARG 334 N 0.40 -1.05 -0.35 1.92 1.12 -0.81 -2.21 114.38 113.39 1u9j h ARG 334 Ca 0.10 0.07 0.05 0.00 -1.11 0.00 0.00 59.98 59.09 1u9j h ARG 334 Cb 0.35 0.24 -0.04 0.00 -0.01 0.00 0.00 29.97 30.50 1u9j h ARG 334 CO 0.01 -0.70 0.10 -0.07 -3.11 0.00 0.00 179.97 176.20 1u9j h LEU 335 N -1.09 0.09 -2.54 3.80 3.38 -0.85 -1.67 115.31 116.43 1u9j h LEU 335 Ca -0.11 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1u9j h LEU 335 Cb 0.85 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1u9j h LEU 335 CO 0.16 0.09 -0.02 -0.07 0.09 0.00 0.00 178.44 178.69 1u9j h LEU 336 N 0.24 0.00 -1.50 1.67 4.07 -1.13 -0.59 115.31 118.08 1u9j h LEU 336 Ca 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.08 1u9j h LEU 336 Cb 0.16 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1u9j h LEU 336 CO -0.19 0.02 -0.22 -0.09 -1.08 0.00 0.00 178.44 176.88 1u9j h ARG 337 N 0.00 0.00 -6.90 1.13 2.43 -0.65 -3.43 114.38 106.96 1u9j h ARG 337 Ca -0.00 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.71 1u9j h ARG 337 Cb 0.12 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1u9j h ARG 337 CO 0.00 0.22 0.03 -1.21 -1.51 0.00 0.00 179.97 177.50 1u9j s GLU 338 N -4.01 2.89 0.00 0.20 0.41 -0.23 -5.02 118.70 112.95 1u9j s GLU 338 Ca -0.02 -0.34 0.25 0.00 -0.41 0.00 0.00 54.97 54.45 1u9j s GLU 338 Cb 0.12 -2.42 0.37 0.00 -1.78 0.00 0.00 34.13 30.42 1u9j s GLU 338 CO 0.64 -0.54 1.36 -0.40 -0.49 0.00 0.00 175.26 175.82 1u9j n ASP 339 N -2.34 2.61 -0.88 -0.19 5.75 -1.26 -4.46 116.55 115.78 1u9j n ASP 339 Ca 0.04 -1.86 0.01 0.00 -0.01 0.00 0.00 54.79 52.97 1u9j n ASP 339 Cb 0.58 0.02 0.20 0.00 -1.03 0.00 0.00 41.12 40.90 1u9j n ASP 339 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u9j n HIS 340 N 1.01 0.65 -4.24 2.11 -0.00 -1.26 -4.96 115.22 108.54 1u9j n HIS 340 Ca 0.15 -1.47 -0.20 0.00 -0.00 0.00 0.00 57.72 56.19 1u9j n HIS 340 Cb 0.54 -0.38 -0.12 0.00 -0.00 0.00 0.00 29.99 30.03 1u9j n HIS 340 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1u9j s TYR 341 N -3.19 1.38 -0.12 -1.40 2.02 -1.26 -1.68 117.35 113.10 1u9j s TYR 341 Ca 0.41 -0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 56.68 1u9j s TYR 341 Cb 0.38 -0.77 0.03 0.00 -0.40 0.00 0.00 41.96 41.19 1u9j s TYR 341 CO -0.02 0.09 -0.07 -2.00 -1.57 0.00 0.00 175.55 171.99 1u9j s GLU 342 N -1.69 1.49 -0.21 -0.62 2.56 -0.31 -4.90 118.70 115.02 1u9j s GLU 342 Ca 0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 54.97 54.59 1u9j s GLU 342 Cb -0.10 -1.66 -0.04 0.00 2.00 0.00 0.00 34.13 34.33 1u9j s GLU 342 CO 0.03 -0.30 0.10 0.08 -0.56 0.00 0.00 175.26 174.61 1u9j s VAL 343 N 1.70 5.00 -0.33 3.70 1.01 -0.12 -0.64 120.40 130.72 1u9j s VAL 343 Ca 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1u9j s VAL 343 Cb -0.13 -3.29 0.07 0.00 0.00 0.00 0.00 36.38 33.03 1u9j s VAL 343 CO -0.08 0.41 0.05 -0.31 0.00 0.00 0.00 175.10 175.17 1u9j s TYR 344 N 0.71 3.39 -0.40 5.22 1.51 0.82 -0.78 117.35 127.82 1u9j s TYR 344 Ca 0.05 -2.12 -0.15 0.00 -1.01 0.00 0.00 57.07 53.84 1u9j s TYR 344 Cb -0.13 -2.45 0.01 0.00 -0.11 0.00 0.00 41.96 39.28 1u9j s TYR 344 CO 0.02 -0.86 0.33 0.20 -1.11 0.00 0.00 175.55 174.13 1u9j s GLY 345 N 1.36 1.96 -0.14 0.71 0.00 -0.65 -0.19 107.32 110.37 1u9j s GLY 345 Ca -0.01 -1.56 -0.09 0.00 0.00 0.00 0.00 44.72 43.06 1u9j s GLY 345 CO -0.03 0.97 0.18 -2.27 0.00 0.00 0.00 173.10 171.96 1u9j s LEU 346 N 1.84 4.33 0.01 0.66 0.20 0.01 -1.17 118.68 124.56 1u9j s LEU 346 Ca 0.08 0.45 -0.29 0.00 0.69 0.00 0.00 54.13 55.06 1u9j s LEU 346 Cb -0.18 -2.16 0.11 0.00 -0.43 0.00 0.00 46.19 43.53 1u9j s LEU 346 CO 0.11 0.30 1.25 -0.62 -0.29 0.00 0.00 176.35 177.10 1u9j s ASP 347 N -0.44 -0.03 0.00 3.68 -1.08 -0.79 0.05 116.67 118.06 1u9j s ASP 347 Ca 0.14 -0.22 0.24 0.00 -0.52 0.00 0.00 52.55 52.19 1u9j s ASP 347 Cb -0.12 0.20 0.36 0.00 -1.46 0.00 0.00 42.92 41.90 1u9j s ASP 347 CO 0.03 -0.39 1.31 0.00 0.52 0.00 0.00 175.17 176.65 1u9j n ILE 348 N -0.66 0.00 -4.03 4.11 3.06 -1.12 -1.70 119.36 119.03 1u9j n ILE 348 Ca -0.04 -0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.11 1u9j n ILE 348 Cb 0.61 0.41 -0.07 0.00 0.54 0.00 0.00 39.64 41.12 1u9j n ILE 348 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1u9j s GLY 349 N -2.99 0.72 0.00 4.50 0.00 -1.26 -4.94 107.32 103.35 1u9j s GLY 349 Ca 0.11 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1u9j s GLY 349 CO 0.73 -0.93 0.39 -1.14 0.00 0.00 0.00 173.10 172.15 1u9j n SER 350 N -0.26 0.16 0.06 1.64 3.41 -1.26 -4.62 113.62 112.74 1u9j n SER 350 Ca -0.04 -1.06 0.21 0.00 -0.26 0.00 0.00 58.87 57.72 1u9j n SER 350 Cb 0.63 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.32 1u9j n SER 350 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1u9j h ASP 351 N 0.00 0.00 0.33 4.04 2.03 -1.97 -1.38 116.42 119.47 1u9j h ASP 351 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1u9j h ASP 351 Cb 0.80 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 1u9j h ASP 351 CO 0.00 0.00 -0.47 0.00 -1.03 0.00 0.00 179.24 177.74 1u9j n ALA 352 N -2.39 3.52 -2.11 4.15 0.00 -1.26 -4.08 120.51 118.34 1u9j n ALA 352 Ca 0.08 -0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.16 1u9j n ALA 352 Cb 0.66 -1.07 0.10 0.00 0.00 0.00 0.00 19.45 19.13 1u9j n ALA 352 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1u9j n ILE 353 N -1.14 0.91 0.08 0.00 -6.64 -0.58 -4.78 119.36 107.22 1u9j n ILE 353 Ca 0.08 -1.90 0.03 0.00 -1.77 0.00 0.00 62.75 59.19 1u9j n ILE 353 Cb 0.35 0.48 0.42 0.00 -1.44 0.00 0.00 39.64 39.44 1u9j n ILE 353 CO 0.00 0.00 0.00 0.77 -1.77 0.00 0.00 176.55 175.55 1u9j h SER 354 N 0.96 0.32 0.00 7.28 4.64 -1.55 -1.18 113.55 124.02 1u9j h SER 354 Ca -0.13 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1u9j h SER 354 Cb 1.52 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1u9j h SER 354 CO 0.06 0.35 0.05 0.54 -0.87 0.00 0.00 176.83 176.95 1u9j n ARG 355 N -4.38 0.12 0.00 4.77 3.00 -1.26 -1.98 116.66 116.93 1u9j n ARG 355 Ca 0.01 0.61 0.08 0.00 -0.01 0.00 0.00 57.85 58.53 1u9j n ARG 355 Cb 0.17 -1.93 -0.08 0.00 0.00 0.00 0.00 32.46 30.62 1u9j n ARG 355 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1u9j n PHE 356 N -2.14 0.00 -0.04 -1.55 3.72 -0.45 -4.64 117.46 112.37 1u9j n PHE 356 Ca -0.01 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.56 1u9j n PHE 356 Cb 0.07 0.00 0.62 0.00 -0.94 0.00 0.00 39.48 39.24 1u9j n PHE 356 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1u9j h LEU 357 N 0.37 0.13 -1.03 4.37 3.38 -1.44 -1.70 115.31 119.40 1u9j h LEU 357 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1u9j h LEU 357 Cb 0.43 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1u9j h LEU 357 CO 0.00 0.07 -0.27 0.59 0.09 0.00 0.00 178.44 178.92 1u9j n ASN 358 N -4.42 1.87 -4.73 -0.43 3.02 -1.26 -4.90 115.26 104.40 1u9j n ASN 358 Ca 0.10 -1.43 -0.42 0.00 -0.03 0.00 0.00 54.58 52.80 1u9j n ASN 358 Cb 0.54 0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.92 1u9j n ASN 358 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1u9j s HIS 359 N -2.34 3.06 0.52 3.10 2.46 -0.64 -4.89 115.29 116.56 1u9j s HIS 359 Ca 0.24 0.90 0.23 0.00 0.47 0.00 0.00 55.06 56.90 1u9j s HIS 359 Cb 0.19 -3.84 1.35 0.00 -0.13 0.00 0.00 32.58 30.16 1u9j s HIS 359 CO 0.48 -2.86 2.01 -1.35 -2.47 0.00 0.00 174.74 170.55 1u9j h PRO 360 N 5.76 0.03 -0.46 2.88 0.11 -1.92 -2.19 132.00 136.22 1u9j h PRO 360 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1u9j h PRO 360 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u9j h PRO 360 CO 0.83 0.02 0.00 0.72 -0.21 0.00 0.00 178.00 179.36 1u9j n HIS 361 N -4.41 0.88 -4.77 0.65 8.25 -1.26 -4.92 115.22 109.64 1u9j n HIS 361 Ca 0.08 -0.60 -0.33 0.00 -0.26 0.00 0.00 57.72 56.61 1u9j n HIS 361 Cb 0.52 -0.13 -0.12 0.00 1.12 0.00 0.00 29.99 31.38 1u9j n HIS 361 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1u9j s PHE 362 N -1.56 2.77 -0.07 4.41 5.36 -0.82 -0.94 117.98 127.12 1u9j s PHE 362 Ca 0.37 -0.11 -0.02 0.00 -0.96 0.00 0.00 56.93 56.21 1u9j s PHE 362 Cb 0.23 -1.64 0.03 0.00 -0.34 0.00 0.00 43.02 41.31 1u9j s PHE 362 CO 0.19 0.25 0.05 -1.01 -1.46 0.00 0.00 175.22 173.24 1u9j s HIS 363 N -0.79 0.22 0.12 10.12 3.76 0.04 -4.73 115.29 124.03 1u9j s HIS 363 Ca 0.12 0.08 -0.27 0.00 -0.15 0.00 0.00 55.06 54.84 1u9j s HIS 363 Cb -0.11 -0.58 -0.07 0.00 1.11 0.00 0.00 32.58 32.94 1u9j s HIS 363 CO 0.02 -0.27 0.86 0.12 -0.85 0.00 0.00 174.74 174.62 1u9j s PHE 364 N 2.12 3.84 -0.17 1.40 5.36 -1.26 -1.64 117.98 127.64 1u9j s PHE 364 Ca 0.04 1.68 0.01 0.00 -0.96 0.00 0.00 56.93 57.70 1u9j s PHE 364 Cb -0.13 -2.90 0.03 0.00 -0.34 0.00 0.00 43.02 39.68 1u9j s PHE 364 CO -0.04 0.34 -0.13 0.08 -1.46 0.00 0.00 175.22 174.00 1u9j s VAL 365 N -0.47 1.64 0.22 3.12 1.01 -0.32 -4.93 120.40 120.68 1u9j s VAL 365 Ca 0.41 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1u9j s VAL 365 Cb -0.23 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.47 1u9j s VAL 365 CO 0.27 0.37 1.34 -1.61 0.00 0.00 0.00 175.10 175.48 1u9j s GLU 366 N 1.44 4.35 0.00 2.72 0.41 -1.26 -1.89 118.70 124.47 1u9j s GLU 366 Ca 0.03 2.13 0.00 0.00 -0.41 0.00 0.00 54.97 56.72 1u9j s GLU 366 Cb -0.14 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 1u9j s GLU 366 CO -0.10 -0.29 0.00 0.41 -0.49 0.00 0.00 175.26 174.79 1u9j n GLY 367 N 2.19 0.88 3.27 -1.39 0.00 -0.69 -4.82 105.19 104.63 1u9j n GLY 367 Ca 0.06 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1u9j n GLY 367 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u9j s ASP 368 N 0.00 -0.28 0.00 1.61 -1.08 -1.26 -2.78 116.67 112.88 1u9j s ASP 368 Ca 0.00 0.98 0.11 0.00 -0.52 0.00 0.00 52.55 53.13 1u9j s ASP 368 Cb 0.00 1.29 0.54 0.00 -1.46 0.00 0.00 42.92 43.29 1u9j s ASP 368 CO 0.00 -0.23 1.30 2.30 0.52 0.00 0.00 175.17 179.07 1u9j n ILE 369 N 5.28 0.93 -0.02 4.11 -5.35 -1.26 -0.33 119.36 122.71 1u9j n ILE 369 Ca -0.10 0.23 -0.02 0.00 -0.27 0.00 0.00 62.75 62.59 1u9j n ILE 369 Cb 0.50 -1.04 -0.13 0.00 -1.74 0.00 0.00 39.64 37.23 1u9j n ILE 369 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1u9j n SER 370 N -1.37 0.43 -0.13 7.28 7.64 -1.26 -4.58 113.62 121.62 1u9j n SER 370 Ca 0.04 0.19 -0.21 0.00 1.01 0.00 0.00 58.87 59.90 1u9j n SER 370 Cb 0.11 0.74 -0.11 0.00 -1.01 0.00 0.00 64.21 63.93 1u9j n SER 370 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1u9j n ILE 371 N -2.75 1.51 -2.98 0.44 5.41 -0.85 -4.95 119.36 115.19 1u9j n ILE 371 Ca -0.17 -0.52 -0.40 0.00 1.00 0.00 0.00 62.75 62.66 1u9j n ILE 371 Cb 0.91 -1.55 -0.05 0.00 -0.71 0.00 0.00 39.64 38.24 1u9j n ILE 371 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1u9j s HIS 372 N -2.52 3.75 0.00 1.39 3.76 0.55 -4.96 115.29 117.26 1u9j s HIS 372 Ca -0.36 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 1u9j s HIS 372 Cb 0.11 -2.82 0.00 0.00 1.11 0.00 0.00 32.58 30.98 1u9j s HIS 372 CO 0.57 0.29 0.00 -1.13 -0.85 0.00 0.00 174.74 173.63 1u9j n SER 373 N 2.70 0.00 -0.24 1.40 3.41 -1.26 -4.68 113.62 114.95 1u9j n SER 373 Ca -0.03 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.62 1u9j n SER 373 Cb 0.50 -0.03 0.14 0.00 -0.26 0.00 0.00 64.21 64.56 1u9j n SER 373 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1u9j h GLU 374 N 0.00 0.13 0.00 4.33 5.08 -1.99 -1.21 114.58 120.92 1u9j h GLU 374 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1u9j h GLU 374 Cb 0.00 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1u9j h GLU 374 CO 0.00 0.08 -0.04 2.35 -1.00 0.00 0.00 179.01 180.41 1u9j h TRP 375 N 0.13 0.00 0.17 4.33 -0.00 -1.98 0.13 115.95 118.72 1u9j h TRP 375 Ca 0.38 0.00 -0.35 0.00 -0.00 0.00 0.00 58.89 58.91 1u9j h TRP 375 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.81 1u9j h TRP 375 CO -0.38 0.04 -1.82 0.82 -0.00 0.00 0.00 178.44 177.10 1u9j h ILE 376 N 0.00 0.84 -0.83 2.65 2.04 -1.53 -3.13 117.51 117.55 1u9j h ILE 376 Ca -0.00 -2.45 0.09 0.00 1.00 0.00 0.00 64.86 63.50 1u9j h ILE 376 Cb 0.08 2.68 -0.07 0.00 -0.74 0.00 0.00 36.82 38.76 1u9j h ILE 376 CO 0.00 0.87 0.48 -0.08 0.00 0.00 0.00 178.15 179.42 1u9j h GLU 377 N 0.07 0.80 -0.57 2.37 4.81 -0.97 -0.19 114.58 120.90 1u9j h GLU 377 Ca -0.37 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1u9j h GLU 377 Cb 2.06 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 31.23 1u9j h GLU 377 CO 0.14 0.53 0.37 -0.92 -0.73 0.00 0.00 179.01 178.40 1u9j h TYR 378 N 0.82 0.70 0.00 0.92 3.20 -1.07 -1.44 116.97 120.10 1u9j h TYR 378 Ca 0.39 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.19 1u9j h TYR 378 Cb 0.33 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1u9j h TYR 378 CO -0.06 0.42 -0.43 0.45 -1.64 0.00 0.00 178.16 176.91 1u9j h HIS 379 N 0.74 0.00 -0.31 -3.82 3.86 -1.19 -1.62 115.15 112.81 1u9j h HIS 379 Ca 0.22 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.35 1u9j h HIS 379 Cb -0.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1u9j h HIS 379 CO -0.04 0.43 -0.09 0.28 0.86 0.00 0.00 177.93 179.37 1u9j h VAL 380 N 0.00 1.28 0.00 2.45 2.07 -0.50 -1.79 116.25 119.76 1u9j h VAL 380 Ca -0.00 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.33 1u9j h VAL 380 Cb 0.99 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1u9j h VAL 380 CO 0.06 0.37 -0.24 0.50 0.02 0.00 0.00 177.57 178.27 1u9j h LYS 381 N 0.38 0.00 0.05 1.57 3.64 -1.03 -3.03 116.57 118.15 1u9j h LYS 381 Ca 0.08 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.23 1u9j h LYS 381 Cb 0.58 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1u9j h LYS 381 CO 0.03 0.24 -1.06 -0.22 -2.27 0.00 0.00 179.45 176.17 1u9j h LYS 382 N 0.00 0.14 0.00 1.90 3.64 -1.02 -3.47 116.57 117.76 1u9j h LYS 382 Ca -0.00 -0.21 -0.21 0.00 -1.27 0.00 0.00 60.65 58.96 1u9j h LYS 382 Cb 0.48 0.08 0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1u9j h LYS 382 CO 0.03 1.07 0.03 0.00 -2.27 0.00 0.00 179.45 178.31 1u9j n ASP 384 N -2.88 3.08 -4.06 0.00 8.00 0.13 -4.95 116.55 115.86 1u9j n ASP 384 Ca 0.07 -0.04 -0.23 0.00 0.71 0.00 0.00 54.79 55.30 1u9j n ASP 384 Cb 0.26 0.14 -0.16 0.00 -0.02 0.00 0.00 41.12 41.34 1u9j n ASP 384 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u9j s VAL 385 N -2.21 1.12 -0.07 2.53 1.01 -0.59 -2.22 120.40 119.96 1u9j s VAL 385 Ca -0.11 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1u9j s VAL 385 Cb 0.03 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1u9j s VAL 385 CO 0.28 0.34 -0.22 -0.69 0.00 0.00 0.00 175.10 174.81 1u9j s VAL 386 N 0.20 2.28 -0.33 2.92 1.01 0.10 -0.05 120.40 126.53 1u9j s VAL 386 Ca -0.05 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1u9j s VAL 386 Cb -0.11 -1.86 0.10 0.00 0.00 0.00 0.00 36.38 34.51 1u9j s VAL 386 CO 0.02 0.57 0.07 -0.22 0.00 0.00 0.00 175.10 175.53 1u9j s LEU 387 N -0.10 3.90 -0.57 3.92 2.96 0.05 -0.61 118.68 128.23 1u9j s LEU 387 Ca -0.05 -1.99 -0.24 0.00 -0.22 0.00 0.00 54.13 51.64 1u9j s LEU 387 Cb -0.14 -1.37 0.05 0.00 0.50 0.00 0.00 46.19 45.23 1u9j s LEU 387 CO 0.04 -0.39 0.94 -2.84 -1.32 0.00 0.00 176.35 172.78 1u9j s PRO 388 N 1.14 3.29 0.00 0.98 0.02 -1.26 -1.61 135.00 137.56 1u9j s PRO 388 Ca 0.11 -0.36 0.23 0.00 0.02 0.00 0.00 61.00 60.99 1u9j s PRO 388 Cb -0.18 -4.08 0.22 0.00 0.02 0.00 0.00 34.50 30.47 1u9j s PRO 388 CO -0.14 -1.53 1.24 1.28 -0.33 0.00 0.00 177.00 177.53 1u9j n LEU 389 N 7.48 2.98 -4.63 -5.54 4.77 -0.13 -4.47 117.00 117.46 1u9j n LEU 389 Ca 0.01 -1.08 -0.42 0.00 -0.03 0.00 0.00 56.01 54.48 1u9j n LEU 389 Cb 0.47 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1u9j n LEU 389 CO 0.63 0.53 0.79 -0.69 -1.33 0.00 0.00 177.39 177.32 1u9j s VAL 390 N -1.82 4.65 -0.11 4.08 1.01 -1.23 -0.31 120.40 126.66 1u9j s VAL 390 Ca 0.28 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.45 1u9j s VAL 390 Cb 0.19 -4.29 0.12 0.00 0.00 0.00 0.00 36.38 32.40 1u9j s VAL 390 CO 0.29 -0.36 0.95 0.00 0.00 0.00 0.00 175.10 175.97 1u9j s ALA 391 N 3.31 -1.89 -0.40 5.51 0.00 -0.69 -4.78 121.76 122.82 1u9j s ALA 391 Ca 0.39 1.43 -0.17 0.00 0.00 0.00 0.00 51.96 53.60 1u9j s ALA 391 Cb -0.13 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1u9j s ALA 391 CO 0.14 -0.41 0.46 0.42 0.00 0.00 0.00 175.76 176.37 1u9j s ILE 392 N -1.62 5.06 -0.06 0.00 1.01 -1.26 -2.76 121.20 121.56 1u9j s ILE 392 Ca -0.01 -0.11 0.18 0.00 0.00 0.00 0.00 60.65 60.71 1u9j s ILE 392 Cb -0.01 -4.01 -0.28 0.00 0.01 0.00 0.00 42.46 38.18 1u9j s ILE 392 CO -0.00 -0.35 0.41 0.00 0.00 0.00 0.00 174.94 175.00 1u9j n ALA 393 N 5.67 2.75 -1.83 9.38 0.00 -1.26 -4.97 120.51 130.25 1u9j n ALA 393 Ca -0.06 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 1u9j n ALA 393 Cb 0.48 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.28 1u9j n ALA 393 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1u9j s THR 394 N -3.23 3.28 0.12 0.00 -4.23 -1.26 -4.95 115.64 105.37 1u9j s THR 394 Ca -0.06 0.33 -0.22 0.00 -1.18 0.00 0.00 61.69 60.56 1u9j s THR 394 Cb 0.12 -3.22 -0.05 0.00 1.34 0.00 0.00 72.50 70.68 1u9j s THR 394 CO 0.75 -0.04 1.29 -2.65 -0.54 0.00 0.00 174.62 173.43 1u9j n PRO 395 N 7.43 -0.32 0.16 3.99 -0.02 -1.26 -1.03 135.00 143.95 1u9j n PRO 395 Ca 0.19 1.27 0.18 0.00 -2.02 0.00 0.00 63.50 63.12 1u9j n PRO 395 Cb 0.42 -1.87 0.67 0.00 -0.02 0.00 0.00 33.50 32.71 1u9j n PRO 395 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1u9j h ILE 396 N 0.00 0.17 -0.09 4.25 2.10 -2.00 0.26 117.51 122.19 1u9j h ILE 396 Ca 0.12 0.00 -0.17 0.00 1.08 0.00 0.00 64.86 65.88 1u9j h ILE 396 Cb 0.30 0.52 -0.01 0.00 -1.09 0.00 0.00 36.82 36.54 1u9j h ILE 396 CO -0.68 0.00 -0.68 -0.33 -1.08 0.00 0.00 178.15 175.38 1u9j h GLU 397 N 0.00 0.39 -0.85 2.19 4.39 -1.47 0.31 114.58 119.54 1u9j h GLU 397 Ca 0.15 -0.30 0.09 0.00 0.34 0.00 0.00 59.36 59.64 1u9j h GLU 397 Cb 1.24 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.87 1u9j h GLU 397 CO -0.00 0.93 0.50 1.88 -1.16 0.00 0.00 179.01 181.15 1u9j h TYR 398 N 0.28 0.91 0.00 4.33 0.05 -0.54 -0.58 116.97 121.42 1u9j h TYR 398 Ca -0.02 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 1u9j h TYR 398 Cb 1.24 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 1u9j h TYR 398 CO 0.04 0.39 -1.58 2.41 -1.05 0.00 0.00 178.16 178.37 1u9j n THR 399 N -4.71 0.51 -0.05 -2.88 -1.04 -1.18 -3.25 114.28 101.68 1u9j n THR 399 Ca 0.14 -0.57 -0.01 0.00 -2.04 0.00 0.00 64.05 61.57 1u9j n THR 399 Cb 0.26 -0.27 -0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1u9j n THR 399 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1u9j h ARG 400 N 0.00 0.00 -2.22 -2.82 -0.00 -0.07 -3.41 114.38 105.86 1u9j h ARG 400 Ca -0.07 0.00 -0.59 0.00 -0.50 0.00 0.00 59.98 58.83 1u9j h ARG 400 Cb 1.18 0.00 -0.42 0.00 0.00 0.00 0.00 29.97 30.74 1u9j h ARG 400 CO 0.01 0.00 -0.67 -1.71 0.00 0.00 0.00 179.97 177.60 1u9j n ASN 401 N -4.63 3.78 -0.30 7.04 4.05 -0.25 -4.92 115.26 120.02 1u9j n ASN 401 Ca -0.01 -3.50 0.05 0.00 0.45 0.00 0.00 54.58 51.57 1u9j n ASN 401 Cb 0.03 -0.61 0.25 0.00 1.23 0.00 0.00 39.78 40.68 1u9j n ASN 401 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1u9j h PRO 402 N 3.55 0.96 -0.67 1.20 0.13 -1.52 -1.92 132.00 133.73 1u9j h PRO 402 Ca 0.16 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 1u9j h PRO 402 Cb 0.61 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.50 1u9j h PRO 402 CO 0.79 0.64 0.29 -0.07 -0.23 0.00 0.00 178.00 179.42 1u9j h LEU 403 N 0.99 0.91 -0.78 1.56 3.38 -1.90 -0.93 115.31 118.53 1u9j h LEU 403 Ca 0.40 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 1u9j h LEU 403 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1u9j h LEU 403 CO -0.16 0.82 -0.34 -0.09 0.09 0.00 0.00 178.44 178.75 1u9j h ARG 404 N 0.95 0.52 -0.03 1.13 9.65 -1.81 -0.72 114.38 124.06 1u9j h ARG 404 Ca 0.23 -0.24 -0.07 0.00 -1.10 0.00 0.00 59.98 58.80 1u9j h ARG 404 Cb 0.17 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1u9j h ARG 404 CO -0.02 0.79 -0.31 0.28 2.80 0.00 0.00 179.97 183.51 1u9j h VAL 405 N 0.44 1.24 0.21 0.20 2.07 -1.02 -2.24 116.25 117.14 1u9j h VAL 405 Ca 0.05 -1.12 -0.32 0.00 0.82 0.00 0.00 66.70 66.13 1u9j h VAL 405 Cb 0.81 1.56 0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1u9j h VAL 405 CO 0.07 0.32 -1.40 0.15 0.02 0.00 0.00 177.57 176.73 1u9j h PHE 406 N 0.05 0.88 -0.51 1.57 3.57 -0.69 -2.31 116.94 119.50 1u9j h PHE 406 Ca 0.01 -0.63 -0.10 0.00 3.53 0.00 0.00 57.97 60.78 1u9j h PHE 406 Cb 0.58 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1u9j h PHE 406 CO 0.00 1.49 -0.07 0.93 -2.23 0.00 0.00 178.31 178.43 1u9j h GLU 407 N 0.15 0.95 0.10 1.11 5.08 -1.00 -0.85 114.58 120.13 1u9j h GLU 407 Ca -0.22 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 1u9j h GLU 407 Cb 2.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1u9j h GLU 407 CO 0.26 1.00 -0.05 1.25 -1.00 0.00 0.00 179.01 180.47 1u9j h LEU 408 N 0.82 -0.12 -0.97 1.33 6.46 -1.53 -0.02 115.31 121.28 1u9j h LEU 408 Ca 0.14 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 1u9j h LEU 408 Cb 0.62 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 1u9j h LEU 408 CO 0.04 0.40 -0.07 0.44 -0.62 0.00 0.00 178.44 178.63 1u9j h ASP 409 N -1.03 0.65 0.00 1.25 5.19 -1.52 -3.11 116.42 117.85 1u9j h ASP 409 Ca -0.01 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1u9j h ASP 409 Cb 0.18 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1u9j h ASP 409 CO 0.02 0.76 -0.50 0.33 -3.12 0.00 0.00 179.24 176.74 1u9j n PHE 410 N -4.20 0.03 -0.03 4.55 -0.00 -0.36 -4.28 117.46 113.17 1u9j n PHE 410 Ca 0.02 0.01 -0.10 0.00 -0.00 0.00 0.00 57.45 57.37 1u9j n PHE 410 Cb 0.32 -0.27 -0.04 0.00 -0.00 0.00 0.00 39.48 39.48 1u9j n PHE 410 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1u9j h GLU 411 N -0.52 0.21 -0.31 -4.13 5.08 -1.26 -0.91 114.58 112.74 1u9j h GLU 411 Ca 0.00 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1u9j h GLU 411 Cb 0.50 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1u9j h GLU 411 CO 0.00 0.14 -0.27 0.93 -1.00 0.00 0.00 179.01 178.81 1u9j h GLU 412 N 0.21 0.62 0.00 2.33 4.39 -0.98 -2.72 114.58 118.42 1u9j h GLU 412 Ca 0.06 -0.25 -0.12 0.00 0.34 0.00 0.00 59.36 59.38 1u9j h GLU 412 Cb -0.02 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1u9j h GLU 412 CO -0.01 0.82 -0.58 -0.91 -1.16 0.00 0.00 179.01 177.17 1u9j h ASN 413 N 0.53 0.00 -0.36 1.42 4.21 -1.46 -2.90 115.58 117.02 1u9j h ASN 413 Ca 0.07 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.53 1u9j h ASN 413 Cb 0.74 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.92 1u9j h ASN 413 CO 0.06 0.58 0.06 0.25 -1.29 0.00 0.00 177.43 177.08 1u9j h LEU 414 N 0.00 0.65 -0.63 1.61 5.85 -0.93 -1.15 115.31 120.71 1u9j h LEU 414 Ca -0.01 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1u9j h LEU 414 Cb 1.18 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1u9j h LEU 414 CO 0.08 0.68 0.31 0.03 -0.34 0.00 0.00 178.44 179.19 1u9j h ARG 415 N 0.66 0.90 -0.22 1.25 3.08 -1.28 -0.67 114.38 118.11 1u9j h ARG 415 Ca 0.14 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 1u9j h ARG 415 Cb 0.33 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1u9j h ARG 415 CO 0.01 0.72 -0.29 0.82 -1.07 0.00 0.00 179.97 180.16 1u9j h ILE 416 N 0.86 1.27 -0.41 2.04 2.04 -1.41 -1.67 117.51 120.23 1u9j h ILE 416 Ca 0.22 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 1u9j h ILE 416 Cb 0.11 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1u9j h ILE 416 CO -0.03 0.41 0.13 0.40 0.00 0.00 0.00 178.15 179.06 1u9j h ILE 417 N 0.37 1.22 0.00 -0.67 2.04 -0.73 -2.20 117.51 117.53 1u9j h ILE 417 Ca 0.05 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1u9j h ILE 417 Cb 0.70 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1u9j h ILE 417 CO 0.05 0.25 -0.30 0.03 0.00 0.00 0.00 178.15 178.19 1u9j h ARG 418 N 0.52 0.00 -0.36 2.37 3.08 -0.71 -1.85 114.38 117.44 1u9j h ARG 418 Ca 0.13 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.05 1u9j h ARG 418 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1u9j h ARG 418 CO -0.00 0.30 -0.32 1.88 -1.07 0.00 0.00 179.97 180.76 1u9j h TYR 419 N 0.00 0.94 -0.78 3.04 0.05 -0.96 -0.52 116.97 118.74 1u9j h TYR 419 Ca -0.00 -0.25 -0.02 0.00 0.05 0.00 0.00 58.73 58.51 1u9j h TYR 419 Cb 0.58 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 1u9j h TYR 419 CO 0.00 1.01 0.40 0.00 -1.05 0.00 0.00 178.16 178.52 1u9j h VAL 421 N 1.10 1.37 -0.50 0.00 -1.51 -1.30 0.71 116.25 116.12 1u9j h VAL 421 Ca 0.27 -2.26 0.00 0.00 -1.23 0.00 0.00 66.70 63.48 1u9j h VAL 421 Cb 0.08 2.24 -0.02 0.00 -2.13 0.00 0.00 31.29 31.46 1u9j h VAL 421 CO -0.04 0.68 0.31 0.50 -1.23 0.00 0.00 177.57 177.80 1u9j h LYS 422 N 0.29 0.67 -0.69 5.19 3.64 -0.66 -2.78 116.57 122.25 1u9j h LYS 422 Ca -0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1u9j h LYS 422 Cb 1.45 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1u9j h LYS 422 CO 0.15 0.47 0.00 0.66 -2.27 0.00 0.00 179.45 178.46 1u9j n TYR 423 N -4.71 1.16 -3.63 1.91 4.01 -0.10 -4.97 117.16 110.83 1u9j n TYR 423 Ca 0.02 -0.52 -0.21 0.00 -0.16 0.00 0.00 57.90 57.04 1u9j n TYR 423 Cb 0.04 -0.10 0.05 0.00 -0.31 0.00 0.00 39.34 39.02 1u9j n TYR 423 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1u9j n ARG 424 N 1.39 -5.56 -4.13 -0.72 1.74 -0.19 -5.00 116.66 104.19 1u9j n ARG 424 Ca 0.24 0.69 -0.25 0.00 -0.77 0.00 0.00 57.85 57.77 1u9j n ARG 424 Cb 0.71 -5.43 -0.06 0.00 -1.02 0.00 0.00 32.46 26.67 1u9j n ARG 424 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1u9j s LYS 425 N -5.84 2.79 0.06 5.56 -0.14 0.07 -4.99 119.74 117.26 1u9j s LYS 425 Ca 0.06 -1.01 -0.28 0.00 -1.36 0.00 0.00 55.97 53.37 1u9j s LYS 425 Cb -0.03 -2.54 -0.05 0.00 -1.68 0.00 0.00 37.83 33.54 1u9j s LYS 425 CO 0.79 0.44 0.90 0.50 -0.76 0.00 0.00 175.35 177.22 1u9j s ARG 426 N -3.37 4.61 -0.10 1.68 3.52 -0.94 -4.37 118.95 119.97 1u9j s ARG 426 Ca 0.31 1.32 0.02 0.00 -0.13 0.00 0.00 55.73 57.25 1u9j s ARG 426 Cb -0.09 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1u9j s ARG 426 CO 0.23 0.18 -0.18 -1.50 -0.81 0.00 0.00 175.30 173.22 1u9j s ILE 427 N 0.20 2.65 -0.36 4.11 2.07 -0.62 -0.73 121.20 128.51 1u9j s ILE 427 Ca 0.45 -0.82 -0.01 0.00 -1.41 0.00 0.00 60.65 58.86 1u9j s ILE 427 Cb -0.22 -2.06 0.09 0.00 0.13 0.00 0.00 42.46 40.41 1u9j s ILE 427 CO 0.27 0.55 0.11 -0.63 -1.91 0.00 0.00 174.94 173.33 1u9j s ILE 428 N 0.13 2.94 -0.19 2.00 1.01 0.22 -2.07 121.20 125.24 1u9j s ILE 428 Ca -0.09 -1.98 -0.09 0.00 0.00 0.00 0.00 60.65 58.49 1u9j s ILE 428 Cb -0.15 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 1u9j s ILE 428 CO 0.06 -0.53 0.12 0.12 0.00 0.00 0.00 174.94 174.71 1u9j s PHE 429 N 1.10 3.40 -0.56 3.97 5.36 -0.46 -4.01 117.98 126.79 1u9j s PHE 429 Ca 0.06 0.30 -0.27 0.00 -0.96 0.00 0.00 56.93 56.06 1u9j s PHE 429 Cb -0.21 -2.13 0.03 0.00 -0.34 0.00 0.00 43.02 40.37 1u9j s PHE 429 CO -0.05 0.30 1.12 -1.25 -1.46 0.00 0.00 175.22 173.88 1u9j s PRO 430 N 0.28 3.50 0.22 10.12 0.04 -1.26 -0.82 135.00 147.06 1u9j s PRO 430 Ca 0.08 0.17 -0.02 0.00 0.04 0.00 0.00 61.00 61.27 1u9j s PRO 430 Cb -0.11 -4.01 0.05 0.00 0.04 0.00 0.00 34.50 30.47 1u9j s PRO 430 CO -0.01 -1.59 0.29 0.45 0.04 0.00 0.00 177.00 176.18 1u9j n SER 431 N 8.11 0.21 -4.21 6.66 2.88 0.20 -4.92 113.62 122.56 1u9j n SER 431 Ca 0.07 -1.22 -0.18 0.00 -1.33 0.00 0.00 58.87 56.22 1u9j n SER 431 Cb 0.49 -0.21 -0.11 0.00 -0.75 0.00 0.00 64.21 63.63 1u9j n SER 431 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1u9j s THR 432 N -1.11 1.19 -0.33 2.46 -1.32 -1.26 -4.43 115.64 110.84 1u9j s THR 432 Ca 0.18 -1.56 0.26 0.00 -1.21 0.00 0.00 61.69 59.36 1u9j s THR 432 Cb -0.01 -1.34 0.28 0.00 -1.51 0.00 0.00 72.50 69.92 1u9j s THR 432 CO 0.12 -0.37 1.78 0.77 -2.21 0.00 0.00 174.62 174.71 1u9j h SER 433 N 3.80 0.00 0.73 8.08 4.64 -1.88 -2.62 113.55 126.29 1u9j h SER 433 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1u9j h SER 433 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1u9j h SER 433 CO 0.47 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.81 1u9j n GLU 434 N -2.44 0.05 0.04 4.77 1.02 -1.26 -3.11 120.64 119.71 1u9j n GLU 434 Ca 0.02 0.21 0.04 0.00 -0.02 0.00 0.00 57.16 57.40 1u9j n GLU 434 Cb 0.24 -1.58 0.42 0.00 -0.02 0.00 0.00 31.44 30.51 1u9j n GLU 434 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1u9j h VAL 435 N 0.00 1.12 0.00 2.62 3.04 -1.73 -0.89 116.25 120.41 1u9j h VAL 435 Ca 0.00 -0.33 -0.04 0.00 -1.01 0.00 0.00 66.70 65.32 1u9j h VAL 435 Cb 0.36 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 1u9j h VAL 435 CO 0.00 0.13 -0.19 1.88 -1.01 0.00 0.00 177.57 178.38 1u9j h TYR 436 N 0.46 0.00 0.00 3.17 0.05 -1.79 -3.41 116.97 115.45 1u9j h TYR 436 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1u9j h TYR 436 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1u9j h TYR 436 CO 0.00 0.19 0.00 0.41 -1.05 0.00 0.00 178.16 177.71 1u9j n GLY 437 N -0.69 3.67 1.90 3.88 0.00 -0.34 -2.05 105.19 111.56 1u9j n GLY 437 Ca -0.02 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 1u9j n GLY 437 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1u9j n MET 438 N 14.00 1.93 -1.65 1.61 2.81 0.19 -4.85 117.12 131.16 1u9j n MET 438 Ca 0.00 -2.03 -0.45 0.00 -1.81 0.00 0.00 57.70 53.41 1u9j n MET 438 Cb 0.00 -1.80 -0.03 0.00 -0.71 0.00 0.00 33.22 30.69 1u9j n MET 438 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u9j n SER 440 N 1.93 0.35 -4.74 0.00 3.41 -1.26 -4.91 113.62 108.40 1u9j n SER 440 Ca 0.11 -0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.31 1u9j n SER 440 Cb 0.31 -0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1u9j n SER 440 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1u9j s ASP 441 N -2.96 4.86 0.42 4.04 1.01 -1.26 -4.87 116.67 117.91 1u9j s ASP 441 Ca 0.13 2.67 0.23 0.00 0.71 0.00 0.00 52.55 56.29 1u9j s ASP 441 Cb 0.18 -2.62 0.55 0.00 1.01 0.00 0.00 42.92 42.03 1u9j s ASP 441 CO 0.63 -1.84 1.67 0.07 0.21 0.00 0.00 175.17 175.91 1u9j h LYS 442 N 0.88 0.00 -4.10 8.23 2.10 -1.93 -3.41 116.57 118.34 1u9j h LYS 442 Ca -0.51 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 57.61 1u9j h LYS 442 Cb 1.32 0.00 -0.38 0.00 -0.90 0.00 0.00 32.23 32.28 1u9j h LYS 442 CO 0.55 0.17 -0.79 0.71 -2.00 0.00 0.00 179.45 178.08 1u9j s TYR 443 N -3.30 1.46 -0.21 0.07 1.51 -1.26 -4.26 117.35 111.36 1u9j s TYR 443 Ca 0.04 -0.83 -0.29 0.00 -1.01 0.00 0.00 57.07 54.98 1u9j s TYR 443 Cb 0.07 -1.21 -0.02 0.00 -0.11 0.00 0.00 41.96 40.69 1u9j s TYR 443 CO 0.66 -0.54 1.47 -0.06 -1.11 0.00 0.00 175.55 175.97 1u9j s PHE 444 N 1.71 2.38 -0.27 2.71 0.08 0.20 -4.69 117.98 120.10 1u9j s PHE 444 Ca 0.03 0.67 -0.08 0.00 0.12 0.00 0.00 56.93 57.67 1u9j s PHE 444 Cb -0.14 -3.86 -0.02 0.00 -0.57 0.00 0.00 43.02 38.43 1u9j s PHE 444 CO -0.08 -2.50 0.11 0.34 -0.10 0.00 0.00 175.22 172.99 1u9j s ASP 445 N 3.31 5.35 0.46 1.36 -1.08 -1.26 -1.60 116.67 123.21 1u9j s ASP 445 Ca 0.64 -0.31 0.22 0.00 -0.52 0.00 0.00 52.55 52.58 1u9j s ASP 445 Cb -0.23 -1.97 1.22 0.00 -1.46 0.00 0.00 42.92 40.48 1u9j s ASP 445 CO 0.25 -0.09 1.89 -0.33 0.52 0.00 0.00 175.17 177.40 1u9j h GLU 446 N 8.29 0.25 0.00 4.34 3.07 -1.89 -0.93 114.58 127.71 1u9j h GLU 446 Ca -0.36 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 1u9j h GLU 446 Cb 1.16 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1u9j h GLU 446 CO 0.59 0.17 -0.90 -0.25 -1.40 0.00 0.00 179.01 177.22 1u9j n ASP 447 N -4.43 0.82 0.00 1.42 8.00 -1.26 -4.78 116.55 116.32 1u9j n ASP 447 Ca 0.18 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.86 1u9j n ASP 447 Cb 0.74 1.07 0.00 0.00 -0.02 0.00 0.00 41.12 42.91 1u9j n ASP 447 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1u9j n HIS 448 N -1.47 0.00 -2.06 1.24 8.25 -0.97 -5.08 115.22 115.14 1u9j n HIS 448 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1u9j n HIS 448 Cb 0.28 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 1u9j n HIS 448 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1u9j s SER 449 N -1.92 6.70 0.45 0.41 0.01 -0.39 -4.99 113.70 113.96 1u9j s SER 449 Ca 0.00 2.75 -0.17 0.00 1.31 0.00 0.00 55.95 59.84 1u9j s SER 449 Cb 0.00 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.49 1u9j s SER 449 CO 0.00 -0.60 0.92 0.20 0.41 0.00 0.00 173.24 174.18 1u9j s ASN 450 N -0.41 6.74 -0.21 2.44 0.01 -1.26 -4.93 114.94 117.32 1u9j s ASN 450 Ca 0.50 1.54 -0.09 0.00 -0.71 0.00 0.00 52.86 54.09 1u9j s ASN 450 Cb -0.41 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 38.72 1u9j s ASN 450 CO 0.55 -0.44 0.11 -0.76 -1.51 0.00 0.00 177.10 175.04 1u9j s LEU 451 N -3.61 3.95 -0.09 0.60 1.43 -1.26 -4.60 118.68 115.10 1u9j s LEU 451 Ca 0.59 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 1u9j s LEU 451 Cb -0.10 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1u9j s LEU 451 CO 0.23 0.12 -0.15 -0.63 0.23 0.00 0.00 176.35 176.15 1u9j s ILE 452 N 0.70 1.43 0.15 -0.59 1.01 -0.96 -4.99 121.20 117.95 1u9j s ILE 452 Ca 0.06 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1u9j s ILE 452 Cb -0.13 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1u9j s ILE 452 CO 0.02 0.42 -0.01 0.68 0.00 0.00 0.00 174.94 176.05 1u9j s VAL 453 N 0.83 0.58 1.04 2.92 -7.23 -1.26 0.53 120.40 117.79 1u9j s VAL 453 Ca -0.10 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 57.94 1u9j s VAL 453 Cb -0.15 -1.99 0.24 0.00 0.56 0.00 0.00 36.38 35.04 1u9j s VAL 453 CO 0.01 -0.58 1.27 0.61 -0.31 0.00 0.00 175.10 176.10 1u9j n GLY 454 N -0.16 -1.81 3.52 2.32 0.00 -1.26 -5.01 105.19 102.78 1u9j n GLY 454 Ca -0.08 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 1u9j n GLY 454 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u9j n PRO 455 N -4.05 -1.85 0.18 1.61 -0.02 -1.26 -4.88 135.00 124.73 1u9j n PRO 455 Ca 0.16 -0.50 0.14 0.00 -2.02 0.00 0.00 63.50 61.28 1u9j n PRO 455 Cb 0.58 -2.20 0.56 0.00 -0.02 0.00 0.00 33.50 32.42 1u9j n PRO 455 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1u9j h VAL 456 N -2.43 0.00 0.00 -1.45 -1.51 -2.04 -2.47 116.25 106.35 1u9j h VAL 456 Ca -0.56 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1u9j h VAL 456 Cb 1.32 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1u9j h VAL 456 CO 0.46 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.34 1u9j n ASN 457 N -2.50 0.00 -3.71 4.19 2.04 -1.26 -3.78 115.26 110.24 1u9j n ASN 457 Ca 0.01 -1.41 -0.31 0.00 -0.44 0.00 0.00 54.58 52.44 1u9j n ASN 457 Cb 0.24 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.42 1u9j n ASN 457 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1u9j n LYS 458 N -0.59 2.64 0.07 -3.83 4.76 -0.93 -4.95 118.16 115.33 1u9j n LYS 458 Ca 0.03 -4.59 0.02 0.00 -2.87 0.00 0.00 58.31 50.90 1u9j n LYS 458 Cb 0.02 -2.32 0.12 0.00 -1.84 0.00 0.00 35.03 31.00 1u9j n LYS 458 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1u9j n PRO 459 N 1.37 0.03 0.26 1.97 -0.04 -1.25 -2.24 135.00 135.10 1u9j n PRO 459 Ca 0.26 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 1u9j n PRO 459 Cb 0.38 -1.91 0.66 0.00 -0.04 0.00 0.00 33.50 32.59 1u9j n PRO 459 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1u9j h ARG 460 N 0.00 0.00 0.00 0.54 -0.00 -1.92 -2.80 114.38 110.20 1u9j h ARG 460 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1u9j h ARG 460 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.59 1u9j h ARG 460 CO 0.00 0.13 0.00 0.91 -0.00 0.00 0.00 179.97 181.01 1u9j n TRP 461 N -3.42 0.00 0.15 4.08 7.02 -0.95 -3.97 117.44 120.35 1u9j n TRP 461 Ca -0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.58 1u9j n TRP 461 Cb 0.30 -0.39 0.63 0.00 -2.42 0.00 0.00 31.31 29.43 1u9j n TRP 461 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 1u9j h ILE 462 N 0.00 0.93 0.24 -0.99 2.10 -1.74 -1.25 117.51 116.80 1u9j h ILE 462 Ca 0.00 -0.02 -0.01 0.00 1.08 0.00 0.00 64.86 65.91 1u9j h ILE 462 Cb 0.35 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 1u9j h ILE 462 CO 0.00 0.01 -0.12 0.22 -1.08 0.00 0.00 178.15 177.18 1u9j h TYR 463 N 0.06 -0.30 -0.38 2.19 3.20 -1.83 -1.71 116.97 118.19 1u9j h TYR 463 Ca 0.09 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.03 1u9j h TYR 463 Cb 0.29 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 1u9j h TYR 463 CO -0.00 0.06 -0.11 1.03 -1.64 0.00 0.00 178.16 177.51 1u9j h SER 464 N -0.76 -0.39 0.27 -2.11 0.87 -1.68 -0.90 113.55 108.86 1u9j h SER 464 Ca -0.03 0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 1u9j h SER 464 Cb 0.50 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1u9j h SER 464 CO 0.05 -0.14 -0.48 0.58 -0.53 0.00 0.00 176.83 176.31 1u9j h VAL 465 N -0.02 1.34 -0.21 2.23 2.07 -1.33 -0.47 116.25 119.86 1u9j h VAL 465 Ca 0.18 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 65.98 1u9j h VAL 465 Cb 0.30 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1u9j h VAL 465 CO -0.40 0.50 0.01 0.28 0.02 0.00 0.00 177.57 177.98 1u9j h SER 466 N 0.20 0.35 -0.09 0.57 0.02 -0.58 -0.84 113.55 113.18 1u9j h SER 466 Ca 0.01 -0.29 -0.09 0.00 -0.84 0.00 0.00 61.79 60.58 1u9j h SER 466 Cb 0.92 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 1u9j h SER 466 CO 0.07 0.56 -0.20 0.11 -1.14 0.00 0.00 176.83 176.23 1u9j h LYS 467 N 0.13 0.48 -0.53 3.45 1.79 -1.09 -2.15 116.57 118.66 1u9j h LYS 467 Ca 0.06 -0.16 -0.10 0.00 -2.18 0.00 0.00 60.65 58.27 1u9j h LYS 467 Cb 0.37 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1u9j h LYS 467 CO 0.01 0.66 -0.04 0.37 -1.08 0.00 0.00 179.45 179.37 1u9j h GLN 468 N 0.44 0.97 -0.58 3.15 4.15 -0.80 -1.54 115.11 120.90 1u9j h GLN 468 Ca 0.07 -0.33 -0.03 0.00 0.77 0.00 0.00 58.65 59.13 1u9j h GLN 468 Cb 0.60 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 1u9j h GLN 468 CO 0.04 1.00 0.23 1.25 -1.93 0.00 0.00 178.83 179.42 1u9j h LEU 469 N 0.84 0.80 -0.58 -2.39 6.46 -0.80 -1.85 115.31 117.79 1u9j h LEU 469 Ca 0.14 -0.17 0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1u9j h LEU 469 Cb 0.59 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 1u9j h LEU 469 CO 0.04 0.75 0.34 -0.07 -0.62 0.00 0.00 178.44 178.87 1u9j h LEU 470 N 0.79 0.53 -0.51 2.25 3.38 -1.22 0.16 115.31 120.68 1u9j h LEU 470 Ca 0.19 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1u9j h LEU 470 Cb 0.20 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1u9j h LEU 470 CO -0.02 0.36 0.16 0.44 0.09 0.00 0.00 178.44 179.48 1u9j h ASP 471 N 0.65 0.13 -0.40 -0.43 3.32 -0.70 -0.46 116.42 118.53 1u9j h ASP 471 Ca 0.24 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 1u9j h ASP 471 Cb 0.07 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1u9j h ASP 471 CO -0.12 0.10 0.07 0.03 -1.72 0.00 0.00 179.24 177.59 1u9j h ARG 472 N 0.32 0.74 -0.36 3.56 3.08 -0.63 -0.00 114.38 121.09 1u9j h ARG 472 Ca 0.25 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 1u9j h ARG 472 Cb 0.30 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1u9j h ARG 472 CO -0.28 0.70 -0.29 0.28 -1.07 0.00 0.00 179.97 179.31 1u9j h VAL 473 N 0.71 1.28 -0.16 2.04 2.07 -0.35 0.11 116.25 121.95 1u9j h VAL 473 Ca 0.15 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1u9j h VAL 473 Cb 0.33 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1u9j h VAL 473 CO 0.01 0.48 0.07 0.40 0.02 0.00 0.00 177.57 178.55 1u9j h ILE 474 N 0.62 1.14 -0.82 4.57 2.04 -0.82 -1.27 117.51 122.97 1u9j h ILE 474 Ca 0.06 -0.40 0.12 0.00 1.00 0.00 0.00 64.86 65.64 1u9j h ILE 474 Cb 0.87 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 1u9j h ILE 474 CO 0.08 0.13 0.43 -0.25 0.00 0.00 0.00 178.15 178.54 1u9j h TRP 475 N 0.13 0.77 -0.52 1.37 2.91 -0.77 0.40 115.95 120.24 1u9j h TRP 475 Ca 0.06 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.03 1u9j h TRP 475 Cb 0.14 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 1u9j h TRP 475 CO -0.02 0.25 0.02 0.00 -1.03 0.00 0.00 178.44 177.65 1u9j h ALA 476 N 1.50 1.05 -0.20 2.65 0.00 -0.37 -0.90 119.26 122.99 1u9j h ALA 476 Ca 0.42 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1u9j h ALA 476 Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1u9j h ALA 476 CO -0.31 0.60 -0.34 1.88 0.00 0.00 0.00 179.25 181.08 1u9j h TYR 477 N 0.81 0.49 -0.67 0.00 0.05 -0.09 -0.33 116.97 117.23 1u9j h TYR 477 Ca 0.16 -0.12 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 1u9j h TYR 477 Cb 0.46 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 1u9j h TYR 477 CO 0.03 0.72 0.18 0.78 -1.05 0.00 0.00 178.16 178.82 1u9j h GLY 478 N 1.09 1.14 1.15 3.88 0.00 -0.42 0.14 103.07 110.04 1u9j h GLY 478 Ca 0.04 -0.70 -0.22 0.00 0.00 0.00 0.00 47.33 46.45 1u9j h GLY 478 CO 0.06 0.65 -0.79 -2.09 0.00 0.00 0.00 176.54 174.38 1u9j h GLU 479 N 0.99 0.76 0.00 4.80 4.81 -0.87 -3.31 114.58 121.76 1u9j h GLU 479 Ca 0.21 -0.65 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1u9j h GLU 479 Cb 0.34 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1u9j h GLU 479 CO -0.00 1.25 -1.14 1.63 -0.73 0.00 0.00 179.01 180.02 1u9j n LYS 480 N -3.96 1.35 -0.54 1.92 4.76 -0.16 -4.70 118.16 116.84 1u9j n LYS 480 Ca -0.08 -0.06 0.03 0.00 -2.87 0.00 0.00 58.31 55.33 1u9j n LYS 480 Cb 0.75 -1.28 0.05 0.00 -1.84 0.00 0.00 35.03 32.71 1u9j n LYS 480 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1u9j n GLU 481 N -1.65 0.38 -1.60 1.97 1.02 0.46 -5.02 120.64 116.21 1u9j n GLU 481 Ca 0.00 -1.62 -0.18 0.00 -0.02 0.00 0.00 57.16 55.35 1u9j n GLU 481 Cb 0.31 -0.72 -0.07 0.00 -0.02 0.00 0.00 31.44 30.94 1u9j n GLU 481 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u9j n GLY 482 N -0.32 1.52 3.72 0.62 0.00 -1.11 -4.93 105.19 104.68 1u9j n GLY 482 Ca 0.05 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1u9j n GLY 482 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u9j s LEU 483 N -4.13 4.37 -0.22 0.99 2.96 -1.08 -4.96 118.68 116.60 1u9j s LEU 483 Ca 0.00 2.53 -0.14 0.00 -0.22 0.00 0.00 54.13 56.29 1u9j s LEU 483 Cb 0.00 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1u9j s LEU 483 CO 0.00 -0.76 0.34 -1.58 -1.32 0.00 0.00 176.35 173.03 1u9j s GLN 484 N 1.04 4.13 0.26 1.98 0.74 -1.26 -4.31 119.66 122.24 1u9j s GLN 484 Ca 0.68 0.07 -0.13 0.00 0.05 0.00 0.00 55.36 56.03 1u9j s GLN 484 Cb -0.41 -3.55 -0.00 0.00 1.10 0.00 0.00 33.01 30.14 1u9j s GLN 484 CO 0.32 -0.04 0.49 -0.59 -0.55 0.00 0.00 175.29 174.92 1u9j s PHE 485 N 1.33 0.37 -0.14 1.67 -0.12 -1.26 -1.59 117.98 118.24 1u9j s PHE 485 Ca 0.16 -0.74 -0.07 0.00 -0.05 0.00 0.00 56.93 56.22 1u9j s PHE 485 Cb -0.15 0.21 0.05 0.00 -0.63 0.00 0.00 43.02 42.51 1u9j s PHE 485 CO 0.07 -1.02 0.34 0.99 -0.05 0.00 0.00 175.22 175.54 1u9j s THR 486 N -3.92 -0.03 -0.09 -4.49 2.01 -0.88 -0.53 115.64 107.70 1u9j s THR 486 Ca 0.22 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 1u9j s THR 486 Cb -0.01 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1u9j s THR 486 CO 0.10 0.05 0.06 -0.76 -0.69 0.00 0.00 174.62 173.37 1u9j s LEU 487 N 1.32 3.91 0.03 4.42 1.43 -0.09 -1.35 118.68 128.35 1u9j s LEU 487 Ca -0.09 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.32 1u9j s LEU 487 Cb -0.09 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1u9j s LEU 487 CO -0.11 0.38 -0.14 0.72 0.23 0.00 0.00 176.35 177.43 1u9j s PHE 488 N -0.96 1.23 -0.27 0.29 -0.71 -0.00 -0.71 117.98 116.84 1u9j s PHE 488 Ca 0.15 -0.34 0.02 0.00 -1.04 0.00 0.00 56.93 55.72 1u9j s PHE 488 Cb -0.12 -0.74 0.07 0.00 -1.21 0.00 0.00 43.02 41.03 1u9j s PHE 488 CO 0.04 0.03 -0.04 1.03 -1.34 0.00 0.00 175.22 174.93 1u9j s ARG 489 N -1.03 1.76 0.40 1.99 0.52 -0.44 0.63 118.95 122.77 1u9j s ARG 489 Ca 0.02 -1.29 -0.23 0.00 -0.52 0.00 0.00 55.73 53.70 1u9j s ARG 489 Cb -0.07 -2.78 -0.10 0.00 0.52 0.00 0.00 34.95 32.52 1u9j s ARG 489 CO 0.01 -0.68 0.99 -2.14 0.02 0.00 0.00 175.30 173.50 1u9j s PRO 490 N 1.21 4.26 -0.35 3.54 0.02 -1.26 0.07 135.00 142.48 1u9j s PRO 490 Ca -0.03 1.33 0.03 0.00 0.02 0.00 0.00 61.00 62.36 1u9j s PRO 490 Cb -0.19 -2.46 0.10 0.00 0.02 0.00 0.00 34.50 31.97 1u9j s PRO 490 CO -0.07 -0.03 0.08 -0.06 -0.33 0.00 0.00 177.00 176.59 1u9j s PHE 491 N -1.83 3.33 -1.12 6.54 0.40 -0.88 -4.14 117.98 120.29 1u9j s PHE 491 Ca 0.58 -2.80 -0.26 0.00 -0.60 0.00 0.00 56.93 53.85 1u9j s PHE 491 Cb -0.17 -2.69 0.03 0.00 0.51 0.00 0.00 43.02 40.70 1u9j s PHE 491 CO 0.22 -0.92 0.67 0.09 0.70 0.00 0.00 175.22 175.98 1u9j n ASN 492 N 4.23 -4.43 -4.77 1.36 4.13 -1.25 -3.33 115.26 111.20 1u9j n ASN 492 Ca 0.03 -1.20 -0.38 0.00 1.68 0.00 0.00 54.58 54.72 1u9j n ASN 492 Cb 0.41 -1.82 -0.01 0.00 -1.54 0.00 0.00 39.78 36.81 1u9j n ASN 492 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1u9j s TRP 493 N -3.40 2.94 0.02 3.10 0.52 -1.26 -1.26 118.94 119.61 1u9j s TRP 493 Ca 0.38 1.53 -0.21 0.00 0.02 0.00 0.00 56.10 57.82 1u9j s TRP 493 Cb -0.20 -3.42 0.05 0.00 -1.15 0.00 0.00 33.47 28.74 1u9j s TRP 493 CO 0.95 -1.50 0.48 0.00 0.02 0.00 0.00 176.95 176.90 1u9j s MET 494 N -2.49 0.96 0.00 4.98 0.23 -0.11 -0.14 119.30 122.72 1u9j s MET 494 Ca 0.60 -0.20 0.00 0.00 -1.03 0.00 0.00 55.69 55.06 1u9j s MET 494 Cb -0.30 0.43 0.00 0.00 -1.53 0.00 0.00 34.83 33.43 1u9j s MET 494 CO 0.38 -0.32 0.00 0.41 -2.03 0.00 0.00 175.02 173.45 1u9j n GLY 495 N 0.62 -0.80 3.72 3.16 0.00 -1.26 -0.40 105.19 110.23 1u9j n GLY 495 Ca -0.19 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 1u9j n GLY 495 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1u9j s PRO 496 N -1.89 2.20 -1.08 1.61 0.02 -1.26 -4.03 135.00 130.57 1u9j s PRO 496 Ca 0.00 1.83 -0.04 0.00 0.02 0.00 0.00 61.00 62.81 1u9j s PRO 496 Cb 0.00 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.69 1u9j s PRO 496 CO 0.00 -1.81 0.93 0.54 -0.33 0.00 0.00 177.00 176.33 1u9j n ARG 497 N -2.56 -6.19 -1.75 5.54 1.74 -1.26 -4.98 116.66 107.20 1u9j n ARG 497 Ca 0.14 0.70 -0.39 0.00 -0.77 0.00 0.00 57.85 57.53 1u9j n ARG 497 Cb 0.50 -5.32 0.04 0.00 -1.02 0.00 0.00 32.46 26.66 1u9j n ARG 497 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1u9j n LEU 498 N -3.99 5.50 -4.73 0.55 4.77 -1.26 -3.83 117.00 114.01 1u9j n LEU 498 Ca -0.10 0.99 -0.33 0.00 -0.03 0.00 0.00 56.01 56.55 1u9j n LEU 498 Cb 0.59 -1.58 0.09 0.00 -2.33 0.00 0.00 43.42 40.19 1u9j n LEU 498 CO 0.53 -0.54 0.74 -1.81 -1.33 0.00 0.00 177.39 174.98 1u9j s ASP 499 N -0.87 4.24 0.51 -1.43 1.01 -1.26 -4.81 116.67 114.07 1u9j s ASP 499 Ca 0.71 2.13 -0.21 0.00 0.71 0.00 0.00 52.55 55.89 1u9j s ASP 499 Cb -0.42 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 40.89 1u9j s ASP 499 CO 0.50 -2.22 1.17 0.20 0.21 0.00 0.00 175.17 175.04 1u9j s ASN 500 N -2.55 5.81 0.56 0.27 0.01 -1.26 -4.89 114.94 112.90 1u9j s ASN 500 Ca 0.68 2.31 0.28 0.00 -0.71 0.00 0.00 52.86 55.42 1u9j s ASN 500 Cb -0.23 -2.60 1.48 0.00 0.41 0.00 0.00 41.25 40.31 1u9j s ASN 500 CO 0.49 -1.16 1.96 0.25 -1.51 0.00 0.00 177.10 177.12 1u9j h LEU 501 N 1.56 0.00 -3.00 0.60 5.85 -1.96 -2.03 115.31 116.32 1u9j h LEU 501 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1u9j h LEU 501 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1u9j h LEU 501 CO 0.58 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 179.27 1u9j n ASN 502 N -4.02 3.10 -4.77 1.25 3.02 -1.26 -4.82 115.26 107.76 1u9j n ASN 502 Ca 0.09 -2.31 -0.39 0.00 -0.03 0.00 0.00 54.58 51.94 1u9j n ASN 502 Cb 0.63 -0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 39.46 1u9j n ASN 502 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u9j s ALA 503 N -1.56 3.25 -1.09 5.41 0.00 -0.77 -4.93 121.76 122.08 1u9j s ALA 503 Ca 0.27 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 1u9j s ALA 503 Cb 0.18 -3.33 0.16 0.00 0.00 0.00 0.00 23.12 20.13 1u9j s ALA 503 CO 0.12 -0.28 2.33 0.00 0.00 0.00 0.00 175.76 177.93 1u9j n ALA 504 N 0.54 6.60 -3.61 0.00 0.00 -1.26 -4.70 120.51 118.07 1u9j n ALA 504 Ca 0.02 -4.00 -0.23 0.00 0.00 0.00 0.00 53.44 49.23 1u9j n ALA 504 Cb 0.46 -2.51 -0.17 0.00 0.00 0.00 0.00 19.45 17.24 1u9j n ALA 504 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u9j s ARG 505 N -2.02 1.29 0.42 0.00 1.81 -1.11 -1.70 118.95 117.64 1u9j s ARG 505 Ca 0.52 -0.24 -0.24 0.00 -1.72 0.00 0.00 55.73 54.04 1u9j s ARG 505 Cb 0.23 -1.20 -0.08 0.00 -0.45 0.00 0.00 34.95 33.45 1u9j s ARG 505 CO -0.14 -0.08 1.17 0.42 -0.68 0.00 0.00 175.30 175.99 1u9j s ILE 506 N 1.01 3.14 0.00 1.52 1.01 0.58 -4.77 121.20 123.68 1u9j s ILE 506 Ca -0.09 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1u9j s ILE 506 Cb -0.15 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1u9j s ILE 506 CO -0.00 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1u9j n GLY 507 N 0.55 -1.09 3.77 6.18 0.00 -1.26 -4.52 105.19 108.81 1u9j n GLY 507 Ca 0.05 0.40 -0.39 0.00 0.00 0.00 0.00 46.02 46.09 1u9j n GLY 507 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u9j s SER 508 N -4.00 7.01 -0.19 1.61 1.04 -1.26 -4.23 113.70 113.68 1u9j s SER 508 Ca 0.00 2.17 -0.32 0.00 0.48 0.00 0.00 55.95 58.28 1u9j s SER 508 Cb 0.00 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.42 1u9j s SER 508 CO 0.00 -0.32 2.09 -0.24 0.98 0.00 0.00 173.24 175.75 1u9j n SER 509 N 0.59 3.12 0.15 7.02 2.88 0.80 -4.83 113.62 123.34 1u9j n SER 509 Ca 0.02 0.56 0.01 0.00 -1.33 0.00 0.00 58.87 58.13 1u9j n SER 509 Cb 0.47 -1.42 0.32 0.00 -0.75 0.00 0.00 64.21 62.83 1u9j n SER 509 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1u9j h ARG 510 N 12.13 0.12 -0.24 -1.46 -0.00 -1.92 -2.79 114.38 120.22 1u9j h ARG 510 Ca -0.41 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.02 1u9j h ARG 510 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.22 1u9j h ARG 510 CO 0.97 0.45 0.13 0.00 0.00 0.00 0.00 179.97 181.52 1u9j h ALA 511 N 1.56 0.30 -0.05 0.04 0.00 -1.99 -1.07 119.26 118.05 1u9j h ALA 511 Ca 0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1u9j h ALA 511 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1u9j h ALA 511 CO 0.05 -0.17 -0.65 -0.84 0.00 0.00 0.00 179.25 177.64 1u9j h ILE 512 N 0.28 1.41 0.00 0.00 3.07 -1.95 -2.50 117.51 117.82 1u9j h ILE 512 Ca 0.08 -2.10 -0.06 0.00 1.55 0.00 0.00 64.86 64.33 1u9j h ILE 512 Cb 0.05 2.09 -0.01 0.00 -0.27 0.00 0.00 36.82 38.69 1u9j h ILE 512 CO -0.01 0.62 -0.29 0.00 -1.05 0.00 0.00 178.15 177.41 1u9j h THR 513 N 0.14 0.65 -0.18 0.16 1.03 -1.28 -1.34 112.91 112.09 1u9j h THR 513 Ca -0.01 -1.38 -0.17 0.00 -0.01 0.00 0.00 66.41 64.84 1u9j h THR 513 Cb 1.17 1.92 0.00 0.00 -1.07 0.00 0.00 68.15 70.17 1u9j h THR 513 CO 0.10 0.29 -0.54 -0.61 -0.01 0.00 0.00 175.52 174.74 1u9j h GLN 514 N 0.00 0.69 -0.38 0.00 5.75 -1.05 -1.68 115.11 118.44 1u9j h GLN 514 Ca -0.00 -0.50 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 1u9j h GLN 514 Cb 0.89 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.51 1u9j h GLN 514 CO 0.04 1.12 0.12 -0.07 -2.65 0.00 0.00 178.83 177.38 1u9j h LEU 515 N 0.38 0.57 -1.12 -2.39 3.38 -1.26 0.15 115.31 115.02 1u9j h LEU 515 Ca -0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1u9j h LEU 515 Cb 1.16 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1u9j h LEU 515 CO 0.12 0.63 0.23 0.40 0.09 0.00 0.00 178.44 179.90 1u9j h ILE 516 N 0.48 1.21 -0.78 1.22 2.04 -1.26 -0.84 117.51 119.58 1u9j h ILE 516 Ca 0.12 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 1u9j h ILE 516 Cb 0.27 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1u9j h ILE 516 CO -0.00 0.26 0.30 -0.07 0.00 0.00 0.00 178.15 178.64 1u9j h LEU 517 N 0.84 1.08 -0.11 1.44 3.38 -0.85 0.12 115.31 121.22 1u9j h LEU 517 Ca 0.20 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1u9j h LEU 517 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1u9j h LEU 517 CO -0.02 0.97 -0.06 0.78 0.09 0.00 0.00 178.44 180.20 1u9j h ASN 518 N 1.13 -0.21 -0.64 -0.43 2.35 0.11 0.22 115.58 118.11 1u9j h ASN 518 Ca 0.26 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 1u9j h ASN 518 Cb 0.23 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 1u9j h ASN 518 CO -0.02 -0.09 0.34 -0.07 -1.65 0.00 0.00 177.43 175.94 1u9j h LEU 519 N -0.06 0.81 -0.67 1.61 3.38 -0.70 -0.24 115.31 119.43 1u9j h LEU 519 Ca 0.07 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1u9j h LEU 519 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1u9j h LEU 519 CO -0.15 0.68 -0.02 0.58 0.09 0.00 0.00 178.44 179.62 1u9j h VAL 520 N 0.87 1.26 0.00 1.22 2.07 -0.24 -3.23 116.25 118.20 1u9j h VAL 520 Ca 0.22 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1u9j h VAL 520 Cb 0.06 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1u9j h VAL 520 CO -0.03 0.41 -0.73 -0.62 0.02 0.00 0.00 177.57 176.62 1u9j n GLU 521 N -4.18 0.19 -1.62 1.57 1.02 0.71 -4.39 120.64 113.95 1u9j n GLU 521 Ca 0.03 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1u9j n GLU 521 Cb 0.35 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1u9j n GLU 521 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u9j n GLY 522 N 1.40 0.58 3.84 0.62 0.00 -0.16 -4.86 105.19 106.60 1u9j n GLY 522 Ca 0.04 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 1u9j n GLY 522 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u9j s SER 523 N -2.86 5.59 0.64 1.61 1.04 -0.82 -4.50 113.70 114.40 1u9j s SER 523 Ca 0.00 -0.22 -0.14 0.00 0.48 0.00 0.00 55.95 56.07 1u9j s SER 523 Cb 0.00 -1.44 -0.01 0.00 0.10 0.00 0.00 66.02 64.66 1u9j s SER 523 CO 0.00 -0.04 1.06 -2.16 0.98 0.00 0.00 173.24 173.08 1u9j s PRO 524 N -3.85 3.08 -0.56 4.02 0.04 -1.26 -4.42 135.00 132.06 1u9j s PRO 524 Ca 0.33 1.13 -0.20 0.00 0.04 0.00 0.00 61.00 62.30 1u9j s PRO 524 Cb -0.08 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.52 1u9j s PRO 524 CO 0.25 -0.99 0.75 0.42 0.04 0.00 0.00 177.00 177.47 1u9j s ILE 525 N -2.67 4.69 -0.02 0.56 1.01 -0.60 -4.89 121.20 119.29 1u9j s ILE 525 Ca 0.62 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 1u9j s ILE 525 Cb -0.16 -4.44 -0.06 0.00 0.01 0.00 0.00 42.46 37.81 1u9j s ILE 525 CO 0.44 -1.03 1.52 -0.54 0.00 0.00 0.00 174.94 175.33 1u9j s LYS 526 N 3.09 4.23 -0.76 2.79 1.02 -1.26 -2.31 119.74 126.53 1u9j s LYS 526 Ca 0.18 2.09 -0.06 0.00 0.02 0.00 0.00 55.97 58.19 1u9j s LYS 526 Cb -0.19 -3.72 0.20 0.00 -0.52 0.00 0.00 37.83 33.60 1u9j s LYS 526 CO 0.12 -0.70 0.64 -0.51 -0.92 0.00 0.00 175.35 173.97 1u9j s LEU 527 N 3.05 5.80 -0.22 3.17 1.43 -0.90 -4.94 118.68 126.08 1u9j s LEU 527 Ca 0.68 -3.02 -0.30 0.00 -1.03 0.00 0.00 54.13 50.47 1u9j s LEU 527 Cb -0.33 -1.99 -0.07 0.00 0.03 0.00 0.00 46.19 43.84 1u9j s LEU 527 CO 0.28 -0.39 2.19 -0.38 0.23 0.00 0.00 176.35 178.28 1u9j n ILE 528 N 3.36 0.35 -3.03 -0.59 5.41 -1.26 -1.73 119.36 121.87 1u9j n ILE 528 Ca 0.13 -0.40 -0.22 0.00 1.00 0.00 0.00 62.75 63.26 1u9j n ILE 528 Cb 0.40 -2.38 0.04 0.00 -0.71 0.00 0.00 39.64 36.99 1u9j n ILE 528 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1u9j n ASP 529 N 10.97 -6.17 0.00 4.38 8.00 0.96 -1.98 116.55 132.71 1u9j n ASP 529 Ca 0.31 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1u9j n ASP 529 Cb 0.40 -4.97 0.00 0.00 -0.02 0.00 0.00 41.12 36.53 1u9j n ASP 529 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u9j n GLY 530 N -1.55 0.57 3.93 0.44 0.00 -0.71 -4.40 105.19 103.48 1u9j n GLY 530 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1u9j n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9j n GLY 531 N -2.00 -0.33 0.10 -0.02 0.00 -0.84 -4.68 105.19 97.42 1u9j n GLY 531 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.19 1u9j n GLY 531 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1u9j h LYS 532 N -1.84 0.00 -6.66 1.61 2.10 -1.78 -2.18 116.57 107.83 1u9j h LYS 532 Ca -0.61 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.48 1u9j h LYS 532 Cb 1.37 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 32.78 1u9j h LYS 532 CO 0.65 0.24 0.81 0.00 -2.00 0.00 0.00 179.45 179.15 1u9j n GLN 533 N -2.87 2.42 -3.72 0.07 0.00 -1.26 -4.71 117.38 107.31 1u9j n GLN 533 Ca -0.07 0.87 -0.32 0.00 0.00 0.00 0.00 57.00 57.48 1u9j n GLN 533 Cb 0.77 -2.62 -0.05 0.00 0.00 0.00 0.00 30.24 28.34 1u9j n GLN 533 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1u9j s LYS 534 N 0.08 3.59 0.10 2.61 1.02 -1.05 -2.69 119.74 123.40 1u9j s LYS 534 Ca 0.70 -0.14 -0.00 0.00 0.02 0.00 0.00 55.97 56.55 1u9j s LYS 534 Cb -0.58 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 1u9j s LYS 534 CO 0.44 0.51 -0.01 1.03 -0.92 0.00 0.00 175.35 176.40 1u9j s ARG 535 N -2.55 0.80 -0.11 1.68 1.81 0.00 -3.80 118.95 116.78 1u9j s ARG 535 Ca 0.39 -1.34 0.00 0.00 -1.72 0.00 0.00 55.73 53.06 1u9j s ARG 535 Cb -0.12 0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.46 1u9j s ARG 535 CO 0.24 -0.14 -0.11 0.00 -0.68 0.00 0.00 175.30 174.61 1u9j s PHE 537 N -0.02 2.95 -0.06 0.00 0.40 -0.59 -3.84 117.98 116.82 1u9j s PHE 537 Ca -0.02 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1u9j s PHE 537 Cb -0.14 -1.65 0.01 0.00 0.51 0.00 0.00 43.02 41.76 1u9j s PHE 537 CO 0.04 0.39 -0.11 0.99 0.70 0.00 0.00 175.22 177.22 1u9j s THR 538 N -0.98 1.07 0.27 0.64 2.01 -0.39 -4.19 115.64 114.07 1u9j s THR 538 Ca 0.17 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 1u9j s THR 538 Cb -0.11 -0.98 -0.09 0.00 0.01 0.00 0.00 72.50 71.32 1u9j s THR 538 CO 0.07 0.34 1.24 -0.62 -0.69 0.00 0.00 174.62 174.95 1u9j s ASP 539 N 0.68 6.98 0.59 3.53 -1.08 -1.26 -0.94 116.67 125.17 1u9j s ASP 539 Ca -0.14 2.45 0.31 0.00 -0.52 0.00 0.00 52.55 54.65 1u9j s ASP 539 Cb -0.16 -2.63 1.82 0.00 -1.46 0.00 0.00 42.92 40.50 1u9j s ASP 539 CO 0.03 -0.40 2.23 -0.29 0.52 0.00 0.00 175.17 177.27 1u9j h ILE 540 N 3.31 0.47 -0.47 4.11 6.09 -1.09 -0.43 117.51 129.50 1u9j h ILE 540 Ca -0.47 -0.11 -0.07 0.00 -1.37 0.00 0.00 64.86 62.85 1u9j h ILE 540 Cb 1.22 1.07 -0.02 0.00 0.47 0.00 0.00 36.82 39.56 1u9j h ILE 540 CO 0.70 0.02 -0.00 0.03 -3.07 0.00 0.00 178.15 175.83 1u9j h ARG 541 N 0.00 0.77 0.04 2.19 3.08 -1.90 0.32 114.38 118.88 1u9j h ARG 541 Ca -0.00 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 1u9j h ARG 541 Cb 0.07 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1u9j h ARG 541 CO 0.00 0.78 -0.34 -0.44 -1.07 0.00 0.00 179.97 178.91 1u9j h ASP 542 N 0.72 0.22 -0.40 7.04 3.32 -1.52 -3.09 116.42 122.71 1u9j h ASP 542 Ca 0.14 -0.91 -0.01 0.00 0.02 0.00 0.00 57.03 56.27 1u9j h ASP 542 Cb 0.44 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1u9j h ASP 542 CO 0.02 1.11 0.20 1.23 -1.72 0.00 0.00 179.24 180.08 1u9j h GLY 543 N -0.64 0.60 2.00 2.75 0.00 -1.04 -2.34 103.07 104.42 1u9j h GLY 543 Ca -0.05 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1u9j h GLY 543 CO 0.06 0.28 -0.35 1.19 0.00 0.00 0.00 176.54 177.72 1u9j h ILE 544 N 0.51 0.94 -0.56 2.60 6.09 -0.52 -1.70 117.51 124.87 1u9j h ILE 544 Ca 0.14 -1.37 -0.11 0.00 -1.37 0.00 0.00 64.86 62.15 1u9j h ILE 544 Cb 0.09 1.81 -0.02 0.00 0.47 0.00 0.00 36.82 39.18 1u9j h ILE 544 CO -0.02 0.34 -0.09 -0.08 -3.07 0.00 0.00 178.15 175.23 1u9j h GLU 545 N 0.00 1.04 -0.33 2.19 4.57 -1.41 -0.04 114.58 120.60 1u9j h GLU 545 Ca -0.00 -0.38 -0.14 0.00 -1.18 0.00 0.00 59.36 57.66 1u9j h GLU 545 Cb 0.78 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 1u9j h GLU 545 CO 0.05 1.07 -0.32 0.00 -1.18 0.00 0.00 179.01 178.63 1u9j h ALA 546 N 0.94 0.49 -0.78 2.92 0.00 -1.01 -2.12 119.26 119.70 1u9j h ALA 546 Ca 0.15 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1u9j h ALA 546 Cb 0.66 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1u9j h ALA 546 CO 0.05 0.54 0.42 1.25 0.00 0.00 0.00 179.25 181.51 1u9j h LEU 547 N 0.58 0.99 -0.22 0.00 6.46 -1.16 -1.40 115.31 120.57 1u9j h LEU 547 Ca 0.05 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1u9j h LEU 547 Cb 0.90 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 1u9j h LEU 547 CO 0.08 0.81 -0.04 0.22 -0.62 0.00 0.00 178.44 178.89 1u9j h TYR 548 N 1.09 -0.08 0.00 1.25 3.20 -0.86 -0.88 116.97 120.69 1u9j h TYR 548 Ca 0.28 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.13 1u9j h TYR 548 Cb 0.05 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1u9j h TYR 548 CO 0.00 -0.07 -0.18 0.00 -1.64 0.00 0.00 178.16 176.27 1u9j h ARG 549 N 0.02 0.00 -0.55 1.82 3.08 -0.93 0.43 114.38 118.25 1u9j h ARG 549 Ca 0.10 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 1u9j h ARG 549 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1u9j h ARG 549 CO -0.21 0.18 -0.11 0.82 -1.07 0.00 0.00 179.97 179.59 1u9j h ILE 550 N 0.00 1.27 -0.69 2.04 2.04 -0.10 0.10 117.51 122.16 1u9j h ILE 550 Ca -0.00 -1.27 -0.06 0.00 1.00 0.00 0.00 64.86 64.52 1u9j h ILE 550 Cb 0.36 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1u9j h ILE 550 CO 0.02 0.45 0.18 0.40 0.00 0.00 0.00 178.15 179.20 1u9j h ILE 551 N 0.93 1.26 -0.18 -0.67 2.04 -0.13 -2.83 117.51 117.93 1u9j h ILE 551 Ca 0.14 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.07 1u9j h ILE 551 Cb 0.68 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1u9j h ILE 551 CO 0.05 0.36 0.09 -0.33 0.00 0.00 0.00 178.15 178.32 1u9j h GLU 552 N 1.03 0.19 -5.84 2.37 4.39 -0.42 -3.47 114.58 112.84 1u9j h GLU 552 Ca 0.22 -0.01 -0.38 0.00 0.34 0.00 0.00 59.36 59.52 1u9j h GLU 552 Cb 0.35 -0.04 0.13 0.00 -0.10 0.00 0.00 28.75 29.09 1u9j h GLU 552 CO 0.00 0.13 -0.73 -1.71 -1.16 0.00 0.00 179.01 175.54 1u9j n ASN 553 N -5.01 -4.30 -4.60 1.42 5.15 0.30 -4.88 115.26 103.35 1u9j n ASN 553 Ca -0.03 -0.61 -0.48 0.00 -0.60 0.00 0.00 54.58 52.85 1u9j n ASN 553 Cb 0.05 -4.89 -0.04 0.00 -0.53 0.00 0.00 39.78 34.36 1u9j n ASN 553 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u9j n ALA 554 N -4.61 -0.39 -0.76 5.20 0.00 -1.26 0.44 120.51 119.13 1u9j n ALA 554 Ca -0.12 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1u9j n ALA 554 Cb 0.61 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1u9j n ALA 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u9j n GLY 555 N 2.19 0.16 2.55 0.00 0.00 -1.26 -2.53 105.19 106.28 1u9j n GLY 555 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1u9j n GLY 555 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u9j n ASN 556 N -0.32 -5.05 0.06 1.61 3.02 0.17 -4.87 115.26 109.88 1u9j n ASN 556 Ca 0.00 0.30 0.05 0.00 -0.03 0.00 0.00 54.58 54.90 1u9j n ASN 556 Cb 0.16 -3.61 0.26 0.00 -0.61 0.00 0.00 39.78 35.98 1u9j n ASN 556 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1u9j n ARG 557 N -1.86 0.06 0.00 3.52 1.74 -1.05 -2.22 116.66 116.84 1u9j n ARG 557 Ca -0.12 0.48 0.12 0.00 -0.77 0.00 0.00 57.85 57.56 1u9j n ARG 557 Cb 0.50 -1.66 0.21 0.00 -1.02 0.00 0.00 32.46 30.49 1u9j n ARG 557 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u9j s ASP 559 N -2.73 6.45 0.00 0.00 1.01 -0.94 -1.73 116.67 118.72 1u9j s ASP 559 Ca 0.17 2.69 0.00 0.00 0.71 0.00 0.00 52.55 56.12 1u9j s ASP 559 Cb 0.18 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1u9j s ASP 559 CO 0.64 -1.03 0.00 0.61 0.21 0.00 0.00 175.17 175.60 1u9j n GLY 560 N 4.40 0.55 3.92 0.21 0.00 0.31 -4.99 105.19 109.59 1u9j n GLY 560 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1u9j n GLY 560 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u9j s GLU 561 N -0.37 3.53 -0.18 1.61 0.41 -0.70 -4.96 118.70 118.03 1u9j s GLU 561 Ca 0.00 -0.07 0.01 0.00 -0.41 0.00 0.00 54.97 54.50 1u9j s GLU 561 Cb 0.00 -2.54 0.04 0.00 -1.78 0.00 0.00 34.13 29.84 1u9j s GLU 561 CO 0.00 0.02 -0.12 0.42 -0.49 0.00 0.00 175.26 175.08 1u9j s ILE 562 N -2.45 1.66 -0.20 -1.63 1.01 -1.26 -0.92 121.20 117.41 1u9j s ILE 562 Ca 0.44 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1u9j s ILE 562 Cb -0.10 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.74 1u9j s ILE 562 CO 0.39 0.27 -0.15 -0.63 0.00 0.00 0.00 174.94 174.82 1u9j s ILE 563 N 1.41 1.94 0.23 2.92 1.01 0.12 -4.82 121.20 124.00 1u9j s ILE 563 Ca 0.01 -1.07 -0.30 0.00 0.00 0.00 0.00 60.65 59.29 1u9j s ILE 563 Cb -0.15 -1.87 -0.09 0.00 0.01 0.00 0.00 42.46 40.36 1u9j s ILE 563 CO -0.09 0.33 1.27 0.20 0.00 0.00 0.00 174.94 176.64 1u9j s ASN 564 N 1.30 6.95 -0.40 3.58 0.01 -1.26 -1.33 114.94 123.79 1u9j s ASN 564 Ca 0.01 2.40 0.03 0.00 -0.71 0.00 0.00 52.86 54.59 1u9j s ASN 564 Cb -0.15 -2.62 0.11 0.00 0.41 0.00 0.00 41.25 39.00 1u9j s ASN 564 CO -0.10 -0.46 0.14 -0.63 -1.51 0.00 0.00 177.10 174.55 1u9j s ILE 565 N -0.25 1.92 0.27 0.60 1.01 0.11 -4.65 121.20 120.21 1u9j s ILE 565 Ca 0.53 -2.44 -0.16 0.00 0.00 0.00 0.00 60.65 58.58 1u9j s ILE 565 Cb -0.36 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.73 1u9j s ILE 565 CO 0.41 -0.72 0.60 -0.83 0.00 0.00 0.00 174.94 174.39 1u9j s GLY 566 N 0.65 0.28 -0.55 6.18 0.00 -1.26 -2.07 107.32 110.54 1u9j s GLY 566 Ca 0.13 -0.64 -0.09 0.00 0.00 0.00 0.00 44.72 44.13 1u9j s GLY 566 CO -0.08 -0.39 0.42 0.21 0.00 0.00 0.00 173.10 173.27 1u9j s ASN 567 N -2.98 5.77 0.00 1.64 3.04 -1.26 -4.84 114.94 116.30 1u9j s ASN 567 Ca 0.17 -2.21 0.08 0.00 0.04 0.00 0.00 52.86 50.94 1u9j s ASN 567 Cb -0.03 -2.01 0.35 0.00 -1.54 0.00 0.00 41.25 38.02 1u9j s ASN 567 CO 0.08 -0.61 1.23 -0.81 -3.04 0.00 0.00 177.10 173.95 1u9j n PRO 568 N 4.50 0.02 0.13 0.43 -0.04 -1.26 -1.86 135.00 136.93 1u9j n PRO 568 Ca -0.02 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 1u9j n PRO 568 Cb 0.41 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.47 1u9j n PRO 568 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1u9j h GLU 569 N 0.00 0.00 -3.11 0.54 4.39 -1.93 -3.37 114.58 111.10 1u9j h GLU 569 Ca 0.00 0.00 -0.76 0.00 0.34 0.00 0.00 59.36 58.94 1u9j h GLU 569 Cb 0.12 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.62 1u9j h GLU 569 CO 0.00 0.00 2.03 0.09 -1.16 0.00 0.00 179.01 179.97 1u9j n ASN 570 N -2.69 6.28 -4.84 1.42 4.13 -0.77 -4.96 115.26 113.81 1u9j n ASN 570 Ca 0.02 -3.16 -0.37 0.00 1.68 0.00 0.00 54.58 52.75 1u9j n ASN 570 Cb 0.52 -1.41 -0.06 0.00 -1.54 0.00 0.00 39.78 37.28 1u9j n ASN 570 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1u9j s GLU 571 N -0.55 3.58 -0.06 3.52 2.12 -1.26 -1.54 118.70 124.52 1u9j s GLU 571 Ca 0.44 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 55.31 1u9j s GLU 571 Cb 0.13 -3.23 0.08 0.00 0.26 0.00 0.00 34.13 31.37 1u9j s GLU 571 CO -0.02 0.68 0.73 0.00 -0.54 0.00 0.00 175.26 176.10 1u9j s ALA 572 N -0.74 -1.79 0.63 6.30 0.00 -0.62 -4.98 121.76 120.56 1u9j s ALA 572 Ca 0.13 1.32 -0.07 0.00 0.00 0.00 0.00 51.96 53.34 1u9j s ALA 572 Cb -0.12 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1u9j s ALA 572 CO 0.03 -0.38 0.96 -1.54 0.00 0.00 0.00 175.76 174.82 1u9j s SER 573 N -1.27 5.43 0.30 0.00 1.04 -1.26 -0.82 113.70 117.13 1u9j s SER 573 Ca -0.09 0.75 0.02 0.00 0.48 0.00 0.00 55.95 57.12 1u9j s SER 573 Cb -0.00 -1.65 0.59 0.00 0.10 0.00 0.00 66.02 65.05 1u9j s SER 573 CO 0.07 -1.21 1.88 0.40 0.98 0.00 0.00 173.24 175.37 1u9j h ILE 574 N -0.34 0.97 -0.20 -1.02 1.08 -1.36 -0.60 117.51 116.05 1u9j h ILE 574 Ca -0.45 -0.33 -0.04 0.00 -0.39 0.00 0.00 64.86 63.64 1u9j h ILE 574 Cb 1.27 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1u9j h ILE 574 CO 0.61 0.18 -0.05 -0.08 -0.69 0.00 0.00 178.15 178.12 1u9j h GLU 575 N 0.96 0.38 -0.74 2.37 4.81 -1.67 -0.51 114.58 120.18 1u9j h GLU 575 Ca 0.44 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1u9j h GLU 575 Cb 0.39 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1u9j h GLU 575 CO -0.20 0.63 0.30 0.93 -0.73 0.00 0.00 179.01 179.95 1u9j h GLU 576 N 0.10 1.10 -0.38 1.92 5.08 -1.66 0.82 114.58 121.55 1u9j h GLU 576 Ca 0.05 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1u9j h GLU 576 Cb 0.49 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1u9j h GLU 576 CO 0.02 0.89 0.11 1.25 -1.00 0.00 0.00 179.01 180.27 1u9j h LEU 577 N 1.07 0.57 -0.40 1.33 5.85 -1.08 0.55 115.31 123.20 1u9j h LEU 577 Ca 0.25 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1u9j h LEU 577 Cb 0.20 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1u9j h LEU 577 CO -0.02 0.64 0.04 1.23 -0.34 0.00 0.00 178.44 179.98 1u9j h GLY 578 N 0.48 0.43 1.21 3.75 0.00 -0.27 -0.58 103.07 108.08 1u9j h GLY 578 Ca 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1u9j h GLY 578 CO -0.00 -0.07 0.40 0.83 0.00 0.00 0.00 176.54 177.70 1u9j h GLU 579 N 0.15 1.03 -0.49 4.80 4.39 -0.42 -1.04 114.58 123.00 1u9j h GLU 579 Ca 0.19 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.67 1u9j h GLU 579 Cb 0.26 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1u9j h GLU 579 CO -0.29 0.76 -0.12 0.52 -1.16 0.00 0.00 179.01 178.72 1u9j h MET 580 N 1.04 0.91 -0.07 2.33 2.86 0.11 -1.66 114.93 120.46 1u9j h MET 580 Ca 0.26 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1u9j h MET 580 Cb 0.03 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 1u9j h MET 580 CO -0.04 0.98 -0.06 -0.07 1.06 0.00 0.00 176.91 178.78 1u9j h LEU 581 N 0.81 0.16 -0.55 1.22 -0.00 -0.80 -2.45 115.31 113.71 1u9j h LEU 581 Ca 0.13 -0.47 0.11 0.00 -0.00 0.00 0.00 57.88 57.65 1u9j h LEU 581 Cb 0.65 -0.05 -0.10 0.00 -0.00 0.00 0.00 40.66 41.17 1u9j h LEU 581 CO 0.05 0.60 -0.05 0.25 -0.00 0.00 0.00 178.44 179.28 1u9j h LEU 582 N -0.27 -0.34 -0.09 1.67 6.46 -1.15 0.45 115.31 122.05 1u9j h LEU 582 Ca 0.01 0.15 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1u9j h LEU 582 Cb 0.55 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.74 1u9j h LEU 582 CO 0.01 -0.13 -0.01 0.00 -0.62 0.00 0.00 178.44 177.69 1u9j h ALA 583 N 1.52 0.06 0.00 1.25 0.00 -1.25 0.38 119.26 121.22 1u9j h ALA 583 Ca 0.28 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1u9j h ALA 583 Cb 0.43 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1u9j h ALA 583 CO -0.51 -0.48 -0.28 1.03 0.00 0.00 0.00 179.25 179.02 1u9j h SER 584 N 0.01 0.00 0.11 0.00 0.87 -0.88 -2.79 113.55 110.88 1u9j h SER 584 Ca 0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1u9j h SER 584 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1u9j h SER 584 CO -0.08 0.28 -0.05 0.15 -0.53 0.00 0.00 176.83 176.60 1u9j h PHE 585 N 0.00 -0.14 -0.37 2.24 3.57 0.85 -2.53 116.94 120.56 1u9j h PHE 585 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1u9j h PHE 585 Cb 0.60 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1u9j h PHE 585 CO 0.00 0.26 0.13 0.93 -2.23 0.00 0.00 178.31 177.40 1u9j h GLU 586 N -0.57 0.53 -0.00 1.11 4.39 -0.90 -1.39 114.58 117.75 1u9j h GLU 586 Ca -0.02 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1u9j h GLU 586 Cb 0.45 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1u9j h GLU 586 CO 0.02 0.46 -0.03 1.63 -1.16 0.00 0.00 179.01 179.93 1u9j n LYS 587 N -4.37 0.48 -2.60 2.33 4.76 -1.06 -4.89 118.16 112.81 1u9j n LYS 587 Ca 0.02 -0.05 -0.40 0.00 -2.87 0.00 0.00 58.31 55.02 1u9j n LYS 587 Cb 0.16 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.80 1u9j n LYS 587 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1u9j s HIS 588 N -2.56 3.69 0.51 2.13 5.04 -0.53 -4.97 115.29 118.62 1u9j s HIS 588 Ca 0.28 1.78 0.20 0.00 -1.54 0.00 0.00 55.06 55.78 1u9j s HIS 588 Cb 0.20 -3.14 1.29 0.00 0.04 0.00 0.00 32.58 30.98 1u9j s HIS 588 CO 0.47 -0.15 2.06 -1.35 -2.34 0.00 0.00 174.74 173.42 1u9j h PRO 589 N 3.74 0.06 -0.67 2.88 0.11 -1.90 -2.08 132.00 134.13 1u9j h PRO 589 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1u9j h PRO 589 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1u9j h PRO 589 CO 0.67 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.77 1u9j n LEU 590 N -4.46 4.24 -0.30 2.35 4.77 -1.26 -4.54 117.00 117.80 1u9j n LEU 590 Ca 0.04 -2.13 0.12 0.00 -0.03 0.00 0.00 56.01 54.01 1u9j n LEU 590 Cb 0.36 -0.53 0.29 0.00 -2.33 0.00 0.00 43.42 41.21 1u9j n LEU 590 CO 0.35 0.84 1.06 -0.09 -1.33 0.00 0.00 177.39 178.23 1u9j h ARG 591 N 4.00 0.45 0.00 3.23 9.65 -1.63 -0.65 114.38 129.43 1u9j h ARG 591 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1u9j h ARG 591 Cb 1.21 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1u9j h ARG 591 CO 0.13 0.30 0.00 -2.39 2.80 0.00 0.00 179.97 180.81 1u9j n HIS 592 N -4.99 0.51 1.65 2.20 1.44 -1.26 -1.16 115.22 113.60 1u9j n HIS 592 Ca 0.21 0.24 0.15 0.00 -2.01 0.00 0.00 57.72 56.31 1u9j n HIS 592 Cb 0.60 -0.89 0.65 0.00 0.12 0.00 0.00 29.99 30.48 1u9j n HIS 592 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1u9j n HIS 593 N -2.00 0.00 -4.40 -1.40 8.25 -0.25 -4.87 115.22 110.54 1u9j n HIS 593 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1u9j n HIS 593 Cb 0.09 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.08 1u9j n HIS 593 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1u9j s PHE 594 N -2.00 2.17 1.12 4.41 0.08 -0.31 -5.10 117.98 118.35 1u9j s PHE 594 Ca 0.41 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.94 1u9j s PHE 594 Cb 0.21 -1.07 0.23 0.00 -0.57 0.00 0.00 43.02 41.82 1u9j s PHE 594 CO 0.35 0.46 0.83 -0.35 -0.10 0.00 0.00 175.22 176.40 1u9j n PRO 595 N 0.25 -1.96 -2.41 0.24 -0.04 -1.26 -4.97 135.00 124.85 1u9j n PRO 595 Ca -0.13 -0.54 -0.34 0.00 -0.04 0.00 0.00 63.50 62.46 1u9j n PRO 595 Cb 0.56 -2.10 -0.02 0.00 -0.04 0.00 0.00 33.50 31.90 1u9j n PRO 595 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1u9j s PRO 596 N -4.23 3.69 0.12 0.54 0.04 -1.26 -4.83 135.00 129.07 1u9j s PRO 596 Ca 0.66 1.30 -0.32 0.00 0.04 0.00 0.00 61.00 62.67 1u9j s PRO 596 Cb -0.23 -2.08 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 1u9j s PRO 596 CO 0.65 -0.52 1.75 0.34 0.04 0.00 0.00 177.00 179.26 1u9j n PHE 597 N -1.27 2.52 1.29 0.56 7.35 -1.26 -4.74 117.46 121.91 1u9j n PHE 597 Ca 0.09 0.01 0.14 0.00 -0.76 0.00 0.00 57.45 56.94 1u9j n PHE 597 Cb 0.53 -2.66 0.66 0.00 0.35 0.00 0.00 39.48 38.36 1u9j n PHE 597 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1u9j n ALA 598 N 4.87 2.57 0.00 3.13 0.00 -1.26 -5.04 120.51 124.78 1u9j n ALA 598 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1u9j n ALA 598 Cb 0.34 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1u9j n ALA 598 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u9j n GLY 599 N 1.35 0.11 3.53 0.00 0.00 -1.26 -4.68 105.19 104.24 1u9j n GLY 599 Ca 0.12 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 1u9j n GLY 599 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u9j s PHE 600 N -1.38 3.20 -0.46 1.61 0.08 -1.26 -1.55 117.98 118.21 1u9j s PHE 600 Ca 0.00 -0.12 -0.14 0.00 0.12 0.00 0.00 56.93 56.79 1u9j s PHE 600 Cb 0.00 -2.74 0.07 0.00 -0.57 0.00 0.00 43.02 39.78 1u9j s PHE 600 CO 0.00 -0.51 0.36 1.03 -0.10 0.00 0.00 175.22 176.00 1u9j s ARG 601 N 2.06 2.90 0.36 0.44 3.00 -0.98 -4.94 118.95 121.81 1u9j s ARG 601 Ca 0.12 -1.35 -0.28 0.00 0.00 0.00 0.00 55.73 54.22 1u9j s ARG 601 Cb -0.17 -4.04 -0.11 0.00 0.00 0.00 0.00 34.95 30.63 1u9j s ARG 601 CO 0.12 -0.99 1.50 0.28 0.00 0.00 0.00 175.30 176.21 1u9j n VAL 602 N 5.14 1.86 -4.16 3.52 0.31 -1.26 -2.11 118.33 121.63 1u9j n VAL 602 Ca -0.12 -0.47 -0.10 0.00 -0.01 0.00 0.00 64.34 63.65 1u9j n VAL 602 Cb 0.44 -1.96 -0.10 0.00 -0.91 0.00 0.00 33.84 31.30 1u9j n VAL 602 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1u9j s VAL 603 N -0.96 0.51 -0.29 2.52 0.11 -0.93 -4.85 120.40 116.50 1u9j s VAL 603 Ca 0.55 -1.90 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 1u9j s VAL 603 Cb -0.48 -1.73 0.19 0.00 -1.53 0.00 0.00 36.38 32.83 1u9j s VAL 603 CO 0.62 -0.82 0.71 -1.61 -3.33 0.00 0.00 175.10 170.67 1u9j s GLU 604 N -3.89 0.46 -0.02 1.54 0.41 -1.26 0.32 118.70 116.25 1u9j s GLU 604 Ca 0.13 0.52 -0.00 0.00 -0.41 0.00 0.00 54.97 55.22 1u9j s GLU 604 Cb 0.06 0.25 -0.00 0.00 -1.78 0.00 0.00 34.13 32.67 1u9j s GLU 604 CO -0.04 -0.78 -0.00 0.77 -0.49 0.00 0.00 175.26 174.71 1u9j h SER 605 N 7.85 0.00 0.00 -0.19 0.02 -2.01 -3.49 113.55 115.73 1u9j h SER 605 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1u9j h SER 605 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1u9j h SER 605 CO 0.10 0.12 0.00 0.55 -1.14 0.00 0.00 176.83 176.46 1u9j n VAL 616 N -2.66 0.00 0.23 2.27 3.14 -1.26 -5.16 118.33 114.89 1u9j n VAL 616 Ca -0.00 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.49 1u9j n VAL 616 Cb 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 32.66 1u9j n VAL 616 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1u9j n GLU 617 N 0.23 0.51 -3.92 1.45 -0.58 -1.26 -4.66 120.64 112.41 1u9j n GLU 617 Ca 0.00 -0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.53 1u9j n GLU 617 Cb 0.00 -1.56 -0.11 0.00 -0.57 0.00 0.00 31.44 29.19 1u9j n GLU 617 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1u9j s HIS 618 N -3.38 0.13 -0.47 -0.32 0.09 -1.26 -2.52 115.29 107.55 1u9j s HIS 618 Ca -0.03 -0.26 0.06 0.00 -0.00 0.00 0.00 55.06 54.82 1u9j s HIS 618 Cb 0.14 -0.10 0.29 0.00 -0.00 0.00 0.00 32.58 32.91 1u9j s HIS 618 CO 0.88 -0.16 1.04 -2.13 -0.00 0.00 0.00 174.74 174.36 1u9j n ARG 619 N 1.97 0.92 -3.61 1.40 0.63 -1.25 -4.98 116.66 111.74 1u9j n ARG 619 Ca -0.20 -1.84 -0.37 0.00 -0.92 0.00 0.00 57.85 54.51 1u9j n ARG 619 Cb 0.56 -1.18 -0.09 0.00 0.45 0.00 0.00 32.46 32.20 1u9j n ARG 619 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1u9j s LYS 620 N 0.42 4.08 0.34 -0.14 2.20 -1.26 -4.02 119.74 121.36 1u9j s LYS 620 Ca 0.26 -0.20 -0.14 0.00 -0.36 0.00 0.00 55.97 55.53 1u9j s LYS 620 Cb 0.27 -3.54 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 1u9j s LYS 620 CO -0.12 0.03 0.74 -1.25 -0.36 0.00 0.00 175.35 174.39 1u9j s PRO 621 N 1.13 3.97 -0.02 4.03 0.04 -1.26 0.61 135.00 143.50 1u9j s PRO 621 Ca 0.09 0.65 -0.17 0.00 0.04 0.00 0.00 61.00 61.62 1u9j s PRO 621 Cb -0.14 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1u9j s PRO 621 CO 0.05 0.13 0.46 0.45 0.04 0.00 0.00 177.00 178.13 1u9j s SER 622 N -2.39 6.82 -0.16 6.66 0.15 -0.63 -4.68 113.70 119.46 1u9j s SER 622 Ca 0.54 0.97 0.16 0.00 0.70 0.00 0.00 55.95 58.32 1u9j s SER 622 Cb -0.10 -2.28 0.35 0.00 -1.71 0.00 0.00 66.02 62.28 1u9j s SER 622 CO 0.19 0.22 1.20 2.30 1.20 0.00 0.00 173.24 178.35 1u9j n ILE 623 N 2.38 2.04 -0.32 6.45 -5.35 -1.26 -4.57 119.36 118.72 1u9j n ILE 623 Ca -0.11 -2.60 -0.03 0.00 -0.27 0.00 0.00 62.75 59.74 1u9j n ILE 623 Cb 0.52 -0.24 0.11 0.00 -1.74 0.00 0.00 39.64 38.28 1u9j n ILE 623 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1u9j h ARG 624 N 0.46 1.22 -0.59 6.28 3.08 -1.94 0.42 114.38 123.31 1u9j h ARG 624 Ca 0.01 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1u9j h ARG 624 Cb 1.04 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1u9j h ARG 624 CO 0.02 0.89 0.23 -0.91 -1.07 0.00 0.00 179.97 179.13 1u9j h ASN 625 N 1.23 0.78 -0.11 7.04 4.21 -1.93 0.18 115.58 126.99 1u9j h ASN 625 Ca 0.31 -0.10 -0.18 0.00 1.21 0.00 0.00 56.30 57.55 1u9j h ASN 625 Cb 0.01 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 37.01 1u9j h ASN 625 CO -0.05 0.70 -0.57 0.00 -1.29 0.00 0.00 177.43 176.22 1u9j h ALA 626 N 1.42 0.58 0.31 -0.83 0.00 -1.61 0.13 119.26 119.25 1u9j h ALA 626 Ca 0.20 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1u9j h ALA 626 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1u9j h ALA 626 CO -0.02 0.69 -0.24 0.45 0.00 0.00 0.00 179.25 180.13 1u9j h HIS 627 N 0.53 -0.63 0.49 0.00 3.86 -0.03 0.01 115.15 119.39 1u9j h HIS 627 Ca 0.01 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1u9j h HIS 627 Cb 1.14 0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.85 1u9j h HIS 627 CO 0.06 -0.36 -0.23 -0.09 0.86 0.00 0.00 177.93 178.17 1u9j h ARG 628 N -0.55 -0.63 0.00 2.45 2.43 -0.60 0.34 114.38 117.82 1u9j h ARG 628 Ca -0.02 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1u9j h ARG 628 Cb 0.48 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1u9j h ARG 628 CO -0.01 -0.34 -0.43 0.00 -1.51 0.00 0.00 179.97 177.68 1u9j n LEU 630 N -3.28 0.23 -3.84 0.00 4.77 -0.04 -4.76 117.00 110.09 1u9j n LEU 630 Ca 0.02 -0.52 -0.28 0.00 -0.03 0.00 0.00 56.01 55.19 1u9j n LEU 630 Cb 0.66 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.79 1u9j n LEU 630 CO 0.39 0.06 0.13 0.47 -1.33 0.00 0.00 177.39 177.10 1u9j n ASP 631 N -0.60 -4.88 -4.65 -1.43 8.00 0.12 -4.95 116.55 108.16 1u9j n ASP 631 Ca 0.00 -0.73 -0.33 0.00 0.71 0.00 0.00 54.79 54.43 1u9j n ASP 631 Cb 0.01 -4.13 -0.10 0.00 -0.02 0.00 0.00 41.12 36.88 1u9j n ASP 631 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1u9j s TRP 632 N -3.33 3.05 -0.15 1.24 -0.00 -1.16 -5.00 118.94 113.59 1u9j s TRP 632 Ca 0.60 0.09 -0.07 0.00 -0.00 0.00 0.00 56.10 56.72 1u9j s TRP 632 Cb -0.30 -1.70 0.06 0.00 -0.00 0.00 0.00 33.47 31.53 1u9j s TRP 632 CO 0.81 0.43 0.34 -2.00 -0.00 0.00 0.00 176.95 176.53 1u9j s GLU 633 N -1.22 0.30 0.12 5.86 2.12 -1.26 -4.02 118.70 120.59 1u9j s GLU 633 Ca 0.16 0.73 -0.31 0.00 0.36 0.00 0.00 54.97 55.91 1u9j s GLU 633 Cb -0.11 -0.02 -0.09 0.00 0.26 0.00 0.00 34.13 34.17 1u9j s GLU 633 CO 0.06 -0.18 1.63 -1.25 -0.54 0.00 0.00 175.26 174.98 1u9j s PRO 634 N 1.61 4.20 -0.20 4.30 0.04 -1.26 -4.93 135.00 138.76 1u9j s PRO 634 Ca -0.07 2.37 0.13 0.00 0.04 0.00 0.00 61.00 63.46 1u9j s PRO 634 Cb -0.10 -3.40 -0.21 0.00 0.04 0.00 0.00 34.50 30.83 1u9j s PRO 634 CO -0.11 -0.69 -0.00 1.63 0.04 0.00 0.00 177.00 177.87 1u9j n LYS 635 N 4.87 0.85 -2.53 4.56 5.02 -1.26 -5.00 118.16 124.68 1u9j n LYS 635 Ca 0.15 0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 56.08 1u9j n LYS 635 Cb 0.39 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1u9j n LYS 635 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1u9j s ILE 636 N -2.46 3.64 0.10 -0.18 1.09 -1.26 -5.04 121.20 117.08 1u9j s ILE 636 Ca -0.15 1.48 -0.02 0.00 -1.10 0.00 0.00 60.65 60.87 1u9j s ILE 636 Cb 0.06 -3.88 -0.05 0.00 -1.06 0.00 0.00 42.46 37.54 1u9j s ILE 636 CO 0.72 0.23 0.29 1.51 -0.10 0.00 0.00 174.94 177.58 1u9j s ASP 637 N -1.18 6.41 0.07 3.58 -4.77 -1.26 -4.91 116.67 114.61 1u9j s ASP 637 Ca 0.49 0.40 -0.12 0.00 -3.30 0.00 0.00 52.55 50.03 1u9j s ASP 637 Cb -0.27 -2.01 -0.00 0.00 -1.09 0.00 0.00 42.92 39.54 1u9j s ASP 637 CO 0.35 0.11 0.64 0.80 0.70 0.00 0.00 175.17 177.77 1u9j n MET 638 N 0.15 -0.16 -0.35 2.11 0.00 -1.26 -0.86 117.12 116.75 1u9j n MET 638 Ca -0.04 0.63 -0.01 0.00 -0.00 0.00 0.00 57.70 58.28 1u9j n MET 638 Cb 0.51 -0.92 0.15 0.00 0.00 0.00 0.00 33.22 32.96 1u9j n MET 638 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 1u9j h GLN 639 N 0.00 1.23 -0.73 2.12 1.08 -1.99 -1.04 115.11 115.78 1u9j h GLN 639 Ca 0.08 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1u9j h GLN 639 Cb 0.19 -0.28 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 1u9j h GLN 639 CO -0.39 0.82 0.32 1.49 -0.95 0.00 0.00 178.83 180.11 1u9j h GLU 640 N 1.27 1.07 -0.19 1.46 4.81 -1.40 -0.95 114.58 120.66 1u9j h GLU 640 Ca 0.36 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1u9j h GLU 640 Cb -0.10 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.09 1u9j h GLU 640 CO -0.09 0.86 -0.09 1.15 -0.73 0.00 0.00 179.01 180.11 1u9j h THR 641 N 1.04 1.31 0.31 0.32 2.02 -1.25 -1.18 112.91 115.48 1u9j h THR 641 Ca 0.25 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1u9j h THR 641 Cb 0.17 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1u9j h THR 641 CO -0.03 0.34 -0.35 0.40 0.37 0.00 0.00 175.52 176.26 1u9j h ILE 642 N 0.08 0.28 -0.09 3.11 1.08 -1.08 -0.78 117.51 120.11 1u9j h ILE 642 Ca 0.04 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.55 1u9j h ILE 642 Cb 0.57 0.28 -0.05 0.00 -3.07 0.00 0.00 36.82 34.55 1u9j h ILE 642 CO 0.03 0.00 -0.25 0.44 -0.69 0.00 0.00 178.15 177.68 1u9j h ASP 643 N -0.70 -0.75 -0.29 1.72 5.19 -1.17 -1.58 116.42 118.84 1u9j h ASP 643 Ca -0.01 0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.40 1u9j h ASP 643 Cb 0.65 0.32 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 1u9j h ASP 643 CO -0.09 -0.30 -0.21 -0.08 -3.12 0.00 0.00 179.24 175.44 1u9j h GLU 644 N -0.34 0.76 -0.58 3.56 4.81 -1.16 0.67 114.58 122.32 1u9j h GLU 644 Ca 0.09 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 1u9j h GLU 644 Cb 0.46 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1u9j h GLU 644 CO -0.28 0.91 0.05 1.15 -0.73 0.00 0.00 179.01 180.11 1u9j h THR 645 N 0.67 1.25 -0.07 0.32 2.02 -0.93 -1.35 112.91 114.83 1u9j h THR 645 Ca 0.10 -1.02 -0.14 0.00 0.77 0.00 0.00 66.41 66.11 1u9j h THR 645 Cb 0.71 0.75 0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1u9j h THR 645 CO 0.05 0.37 -0.52 0.25 0.37 0.00 0.00 175.52 176.05 1u9j h LEU 646 N 0.89 0.57 0.06 2.58 5.85 -1.18 -2.92 115.31 121.15 1u9j h LEU 646 Ca 0.17 -0.68 0.02 0.00 0.84 0.00 0.00 57.88 58.24 1u9j h LEU 646 Cb 0.45 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1u9j h LEU 646 CO 0.02 1.16 -0.20 -0.78 -0.34 0.00 0.00 178.44 178.30 1u9j h ASP 647 N 0.03 -0.58 -0.71 1.25 3.58 -0.72 -0.70 116.42 118.56 1u9j h ASP 647 Ca -0.05 0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.50 1u9j h ASP 647 Cb 1.18 0.23 -0.04 0.00 1.72 0.00 0.00 39.33 42.43 1u9j h ASP 647 CO 0.11 -0.28 0.47 0.15 -2.88 0.00 0.00 179.24 176.81 1u9j h PHE 648 N -0.36 0.87 0.09 0.28 3.04 -1.33 -2.05 116.94 117.49 1u9j h PHE 648 Ca 0.04 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1u9j h PHE 648 Cb 0.40 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1u9j h PHE 648 CO -0.22 0.54 -0.04 0.35 -2.02 0.00 0.00 178.31 176.91 1u9j h PHE 649 N 0.93 -0.11 -0.64 0.41 3.04 -1.20 -2.53 116.94 116.84 1u9j h PHE 649 Ca 0.27 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.28 1u9j h PHE 649 Cb -0.06 0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.43 1u9j h PHE 649 CO -0.00 0.25 0.33 -0.07 -2.02 0.00 0.00 178.31 176.80 1u9j h LEU 650 N -0.49 0.47 -0.25 0.59 3.38 -0.97 -1.34 115.31 116.71 1u9j h LEU 650 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1u9j h LEU 650 Cb 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1u9j h LEU 650 CO 0.02 0.30 0.00 0.54 0.09 0.00 0.00 178.44 179.39 1u9j n ARG 651 N -4.83 0.11 -0.00 1.13 1.74 -0.79 -2.82 116.66 111.19 1u9j n ARG 651 Ca 0.08 0.27 0.09 0.00 -0.77 0.00 0.00 57.85 57.52 1u9j n ARG 651 Cb 0.19 -1.67 -0.11 0.00 -1.02 0.00 0.00 32.46 29.84 1u9j n ARG 651 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1u9j n THR 652 N -1.87 0.00 -1.95 0.55 -1.04 -0.58 -4.94 114.28 104.45 1u9j n THR 652 Ca 0.04 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 1u9j n THR 652 Cb 0.25 0.94 -0.03 0.00 -1.82 0.00 0.00 70.33 69.68 1u9j n THR 652 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1u9j s VAL 653 N -2.87 2.63 -0.68 12.58 1.01 -0.76 -4.94 120.40 127.38 1u9j s VAL 653 Ca 0.06 0.47 -0.24 0.00 0.00 0.00 0.00 61.98 62.27 1u9j s VAL 653 Cb 0.15 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.28 1u9j s VAL 653 CO 0.80 0.04 1.08 1.51 0.00 0.00 0.00 175.10 178.53 1u9j s ASP 654 N 1.01 6.19 0.00 3.32 3.84 -1.26 -4.86 116.67 124.90 1u9j s ASP 654 Ca 0.68 -0.72 0.06 0.00 -0.00 0.00 0.00 52.55 52.57 1u9j s ASP 654 Cb -0.43 -2.47 0.35 0.00 -1.38 0.00 0.00 42.92 38.99 1u9j s ASP 654 CO 0.33 -1.57 0.84 0.18 -0.00 0.00 0.00 175.17 174.96 1u9j n LEU 655 N 8.30 0.00 0.00 2.11 7.99 -1.26 -5.26 117.00 128.88 1u9j n LEU 655 Ca -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1u9j n LEU 655 Cb 0.47 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.76 1u9j n LEU 655 CO 0.67 -0.02 0.10 0.41 -1.51 0.00 0.00 177.39 177.04