#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfs s ILE 325 N 0.00 5.06 0.00 1.12 -1.09 -1.26 -5.06 121.20 119.97 1kfs s ILE 325 Ca 0.00 1.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.48 1kfs s ILE 325 Cb 0.00 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1kfs s ILE 325 CO 0.00 0.39 0.00 -1.54 -1.23 0.00 0.00 174.94 172.56 1kfs n SER 326 N 3.10 1.86 0.00 3.58 3.41 -1.26 -5.02 113.62 119.29 1kfs n SER 326 Ca -0.08 -0.93 0.13 0.00 -0.26 0.00 0.00 58.87 57.74 1kfs n SER 326 Cb 0.51 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.08 1kfs n SER 326 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1kfs n TYR 327 N -0.06 0.00 0.08 7.33 4.01 -1.26 -3.50 117.16 123.76 1kfs n TYR 327 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1kfs n TYR 327 Cb 0.00 -0.46 -0.06 0.00 -0.31 0.00 0.00 39.34 38.52 1kfs n TYR 327 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1kfs h ASP 328 N 0.00 0.00 0.11 7.72 3.32 -2.00 -3.38 116.42 122.19 1kfs h ASP 328 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1kfs h ASP 328 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1kfs h ASP 328 CO 0.00 0.73 -0.05 0.78 -1.72 0.00 0.00 179.24 178.98 1kfs h ASN 329 N 0.00 -0.12 -4.27 6.45 4.21 -1.97 -3.45 115.58 116.43 1kfs h ASN 329 Ca -0.06 -0.10 -0.61 0.00 1.21 0.00 0.00 56.30 56.74 1kfs h ASN 329 Cb 1.61 0.03 -0.26 0.00 -1.12 0.00 0.00 38.32 38.58 1kfs h ASN 329 CO 0.08 0.02 -0.85 -0.31 -1.29 0.00 0.00 177.43 175.08 1kfs s TYR 330 N -5.71 1.95 0.32 1.19 2.02 -1.26 -4.72 117.35 111.13 1kfs s TYR 330 Ca -0.14 -0.39 -0.20 0.00 -0.37 0.00 0.00 57.07 55.98 1kfs s TYR 330 Cb 0.05 -1.15 -0.09 0.00 -0.40 0.00 0.00 41.96 40.36 1kfs s TYR 330 CO 0.65 0.11 0.82 0.54 -1.57 0.00 0.00 175.55 176.10 1kfs s VAL 331 N -0.83 4.50 -0.32 0.71 0.11 -1.17 -4.92 120.40 118.48 1kfs s VAL 331 Ca 0.09 1.33 -0.07 0.00 -2.93 0.00 0.00 61.98 60.40 1kfs s VAL 331 Cb -0.09 -3.75 0.02 0.00 -1.53 0.00 0.00 36.38 31.03 1kfs s VAL 331 CO 0.02 -0.04 0.09 -0.89 -3.33 0.00 0.00 175.10 170.95 1kfs s THR 332 N -1.83 3.90 -0.32 5.04 2.01 -1.26 -1.64 115.64 121.55 1kfs s THR 332 Ca 0.52 -0.89 -0.26 0.00 0.31 0.00 0.00 61.69 61.37 1kfs s THR 332 Cb -0.13 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.28 1kfs s THR 332 CO 0.19 -0.04 0.92 -0.63 -0.69 0.00 0.00 174.62 174.37 1kfs s ILE 333 N 1.46 4.65 0.00 1.82 1.01 -0.36 -4.88 121.20 124.91 1kfs s ILE 333 Ca 0.01 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1kfs s ILE 333 Cb -0.18 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1kfs s ILE 333 CO 0.03 -0.38 0.62 0.18 0.00 0.00 0.00 174.94 175.38 1kfs n LEU 334 N 6.55 1.23 -4.02 2.97 4.32 -1.26 -4.13 117.00 122.65 1kfs n LEU 334 Ca 0.08 -1.23 -0.14 0.00 -0.02 0.00 0.00 56.01 54.70 1kfs n LEU 334 Cb 0.48 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.15 1kfs n LEU 334 CO 0.55 0.31 -0.40 1.51 -1.22 0.00 0.00 177.39 178.14 1kfs s ASP 335 N -0.25 0.74 0.23 -1.43 -4.77 -1.26 -4.16 116.67 105.78 1kfs s ASP 335 Ca 0.00 -0.39 -0.06 0.00 -3.30 0.00 0.00 52.55 48.80 1kfs s ASP 335 Cb 0.00 0.00 0.36 0.00 -1.09 0.00 0.00 42.92 42.19 1kfs s ASP 335 CO 0.00 -0.11 1.78 -0.33 0.70 0.00 0.00 175.17 177.21 1kfs h GLU 336 N 5.03 0.62 -0.38 2.11 5.08 -1.98 -1.47 114.58 123.59 1kfs h GLU 336 Ca -0.33 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1kfs h GLU 336 Cb 1.20 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 1kfs h GLU 336 CO 0.44 0.41 0.10 1.49 -1.00 0.00 0.00 179.01 180.45 1kfs h GLU 337 N 0.64 0.23 -0.55 2.33 4.81 -1.98 0.29 114.58 120.34 1kfs h GLU 337 Ca 0.36 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.50 1kfs h GLU 337 Cb 0.38 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1kfs h GLU 337 CO -0.27 0.15 0.01 1.15 -0.73 0.00 0.00 179.01 179.32 1kfs h THR 338 N 0.23 1.26 -0.16 0.32 2.02 -1.88 -1.01 112.91 113.69 1kfs h THR 338 Ca 0.18 -1.10 0.02 0.00 0.77 0.00 0.00 66.41 66.28 1kfs h THR 338 Cb 0.19 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1kfs h THR 338 CO -0.21 0.39 0.05 0.25 0.37 0.00 0.00 175.52 176.37 1kfs h LEU 339 N 0.84 0.06 -1.29 2.58 6.46 -0.80 -1.57 115.31 121.59 1kfs h LEU 339 Ca 0.16 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 1kfs h LEU 339 Cb 0.52 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 1kfs h LEU 339 CO 0.03 0.06 0.50 0.11 -0.62 0.00 0.00 178.44 178.52 1kfs h LYS 340 N 0.13 0.90 -0.60 1.25 1.57 -0.21 0.59 116.57 120.20 1kfs h LYS 340 Ca 0.07 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1kfs h LYS 340 Cb 0.04 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1kfs h LYS 340 CO -0.07 0.59 0.10 0.00 -0.57 0.00 0.00 179.45 179.51 1kfs h ALA 341 N 1.56 1.05 -0.32 3.86 0.00 -0.47 -1.98 119.26 122.95 1kfs h ALA 341 Ca 0.31 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1kfs h ALA 341 Cb 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1kfs h ALA 341 CO -0.09 0.61 -0.49 -1.49 0.00 0.00 0.00 179.25 177.79 1kfs h TRP 342 N 0.92 1.11 -0.82 0.00 4.06 -0.33 -2.60 115.95 118.27 1kfs h TRP 342 Ca 0.19 -0.38 0.04 0.00 2.06 0.00 0.00 58.89 60.80 1kfs h TRP 342 Cb 0.39 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.29 1kfs h TRP 342 CO 0.03 1.21 0.54 0.82 -3.56 0.00 0.00 178.44 177.47 1kfs h ILE 343 N 0.69 1.13 -0.43 1.49 2.04 -0.64 0.59 117.51 122.38 1kfs h ILE 343 Ca 0.03 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 1kfs h ILE 343 Cb 1.10 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1kfs h ILE 343 CO 0.11 0.18 -0.12 0.00 0.00 0.00 0.00 178.15 178.32 1kfs h ALA 344 N 1.52 0.60 -0.40 1.87 0.00 -1.27 -0.27 119.26 121.31 1kfs h ALA 344 Ca 0.33 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1kfs h ALA 344 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1kfs h ALA 344 CO -0.10 0.50 -0.26 0.87 0.00 0.00 0.00 179.25 180.26 1kfs h LYS 345 N 0.68 0.83 -0.51 0.00 1.57 -1.04 -3.04 116.57 115.05 1kfs h LYS 345 Ca 0.11 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.45 1kfs h LYS 345 Cb 0.67 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1kfs h LYS 345 CO 0.05 1.00 0.02 -0.07 -0.57 0.00 0.00 179.45 179.87 1kfs h LEU 346 N 0.71 0.82 -2.09 2.94 -0.00 -0.75 -2.39 115.31 114.55 1kfs h LEU 346 Ca 0.09 -0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 1kfs h LEU 346 Cb 0.80 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 41.24 1kfs h LEU 346 CO 0.07 0.87 -0.07 -0.33 -0.00 0.00 0.00 178.44 178.98 1kfs h GLU 347 N 0.80 0.00 -0.02 1.13 5.08 -0.93 -2.74 114.58 117.90 1kfs h GLU 347 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1kfs h GLU 347 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1kfs h GLU 347 CO 0.02 0.07 -0.04 0.36 -1.00 0.00 0.00 179.01 178.42 1kfs n LYS 348 N -3.45 1.44 -2.55 2.33 2.85 -0.94 -4.99 118.16 112.85 1kfs n LYS 348 Ca -0.02 -1.45 -0.37 0.00 -1.05 0.00 0.00 58.31 55.42 1kfs n LYS 348 Cb 0.21 -1.33 -0.04 0.00 -0.65 0.00 0.00 35.03 33.22 1kfs n LYS 348 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kfs s ALA 349 N -1.50 3.17 0.20 0.58 0.00 -0.97 -4.96 121.76 118.28 1kfs s ALA 349 Ca 0.19 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 52.78 1kfs s ALA 349 Cb 0.14 -3.28 0.15 0.00 0.00 0.00 0.00 23.12 20.13 1kfs s ALA 349 CO 0.24 -0.16 1.86 -1.00 0.00 0.00 0.00 175.76 176.69 1kfs h PRO 350 N 2.86 0.99 -3.40 0.00 0.13 -1.93 -3.45 132.00 127.21 1kfs h PRO 350 Ca -0.48 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.51 1kfs h PRO 350 Cb 1.21 -0.21 -0.14 0.00 0.13 0.00 0.00 31.00 31.99 1kfs h PRO 350 CO 0.64 0.68 -0.16 0.14 -0.23 0.00 0.00 178.00 179.07 1kfs s VAL 351 N -6.04 0.08 -0.03 1.56 -7.23 -1.26 -4.58 120.40 102.90 1kfs s VAL 351 Ca -0.13 -0.68 -0.09 0.00 -1.81 0.00 0.00 61.98 59.27 1kfs s VAL 351 Cb 0.15 -1.13 0.01 0.00 0.56 0.00 0.00 36.38 35.97 1kfs s VAL 351 CO 0.78 -0.38 0.20 0.72 -0.31 0.00 0.00 175.10 176.11 1kfs s PHE 352 N -3.41 -0.09 0.24 2.82 -0.12 -0.96 -4.89 117.98 111.56 1kfs s PHE 352 Ca 0.01 0.18 -0.24 0.00 -0.05 0.00 0.00 56.93 56.83 1kfs s PHE 352 Cb 0.02 0.02 -0.09 0.00 -0.63 0.00 0.00 43.02 42.34 1kfs s PHE 352 CO -0.09 -0.25 0.82 0.00 -0.05 0.00 0.00 175.22 175.66 1kfs s ALA 353 N -0.86 3.35 -0.00 1.99 0.00 -0.43 -1.03 121.76 124.78 1kfs s ALA 353 Ca -0.09 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1kfs s ALA 353 Cb -0.05 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 1kfs s ALA 353 CO 0.02 0.26 -0.09 0.12 0.00 0.00 0.00 175.76 176.07 1kfs s PHE 354 N -1.43 0.81 -0.06 0.00 5.36 0.02 -1.90 117.98 120.78 1kfs s PHE 354 Ca 0.43 -0.16 -0.18 0.00 -0.96 0.00 0.00 56.93 56.06 1kfs s PHE 354 Cb -0.20 -0.52 0.04 0.00 -0.34 0.00 0.00 43.02 42.00 1kfs s PHE 354 CO 0.24 -0.01 0.41 0.34 -1.46 0.00 0.00 175.22 174.74 1kfs s ASP 355 N -0.26 -0.34 0.13 6.13 2.15 -0.42 -4.51 116.67 119.55 1kfs s ASP 355 Ca 0.03 0.39 0.10 0.00 0.43 0.00 0.00 52.55 53.50 1kfs s ASP 355 Cb -0.04 0.49 -0.04 0.00 -0.30 0.00 0.00 42.92 43.03 1kfs s ASP 355 CO -0.00 -0.41 -0.23 0.42 -0.17 0.00 0.00 175.17 174.77 1kfs s THR 356 N -0.94 2.48 0.04 1.71 -4.23 -1.26 -0.90 115.64 112.55 1kfs s THR 356 Ca -0.10 -1.69 0.09 0.00 -1.18 0.00 0.00 61.69 58.81 1kfs s THR 356 Cb -0.04 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 1kfs s THR 356 CO 0.04 0.08 -0.26 -1.61 -0.54 0.00 0.00 174.62 172.33 1kfs s GLU 357 N -2.14 1.76 0.32 3.99 0.41 0.48 -4.96 118.70 118.56 1kfs s GLU 357 Ca 0.16 -1.09 0.05 0.00 -0.41 0.00 0.00 54.97 53.68 1kfs s GLU 357 Cb -0.10 -1.92 -0.03 0.00 -1.78 0.00 0.00 34.13 30.30 1kfs s GLU 357 CO 0.08 0.50 0.30 0.95 -0.49 0.00 0.00 175.26 176.59 1kfs s THR 358 N -0.80 0.00 -1.40 3.63 -4.23 -1.26 -0.37 115.64 111.21 1kfs s THR 358 Ca 0.11 -1.93 0.14 0.00 -1.18 0.00 0.00 61.69 58.83 1kfs s THR 358 Cb -0.10 -2.52 0.53 0.00 1.34 0.00 0.00 72.50 71.75 1kfs s THR 358 CO 0.02 0.00 1.41 -0.90 -0.54 0.00 0.00 174.62 174.61 1kfs n ASP 359 N -1.41 3.52 -3.59 3.99 5.68 -0.64 -4.00 116.55 120.11 1kfs n ASP 359 Ca 0.06 -2.27 -0.08 0.00 -0.50 0.00 0.00 54.79 52.01 1kfs n ASP 359 Cb 0.63 -0.47 -0.04 0.00 -1.14 0.00 0.00 41.12 40.09 1kfs n ASP 359 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1kfs s SER 360 N -0.83 -0.27 0.45 -1.12 0.15 -1.26 -4.78 113.70 106.04 1kfs s SER 360 Ca 0.38 0.24 0.25 0.00 0.70 0.00 0.00 55.95 57.52 1kfs s SER 360 Cb 0.23 0.23 0.65 0.00 -1.71 0.00 0.00 66.02 65.43 1kfs s SER 360 CO 0.20 -0.29 1.72 -0.07 1.20 0.00 0.00 173.24 176.00 1kfs h LEU 361 N 2.33 0.00 -8.67 3.45 3.38 -2.00 -3.43 115.31 110.37 1kfs h LEU 361 Ca -0.15 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.27 1kfs h LEU 361 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1kfs h LEU 361 CO 0.28 0.09 1.23 -0.62 0.09 0.00 0.00 178.44 179.51 1kfs s ASP 362 N -6.10 5.82 0.12 -0.43 2.15 -1.26 -4.90 116.67 112.07 1kfs s ASP 362 Ca 0.04 0.69 -0.26 0.00 0.43 0.00 0.00 52.55 53.45 1kfs s ASP 362 Cb 0.07 -2.53 -0.07 0.00 -0.30 0.00 0.00 42.92 40.09 1kfs s ASP 362 CO 0.64 -1.88 1.65 -1.13 -0.17 0.00 0.00 175.17 174.28 1kfs h ASN 363 N 12.77 -0.67 0.04 -0.34 -1.24 -1.95 0.16 115.58 124.35 1kfs h ASN 363 Ca -0.29 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 56.80 1kfs h ASN 363 Cb 1.14 0.27 -0.00 0.00 0.73 0.00 0.00 38.32 40.45 1kfs h ASN 363 CO 1.13 -0.31 -0.04 -0.29 -1.29 0.00 0.00 177.43 176.64 1kfs h ILE 364 N -0.39 1.02 -0.01 2.57 6.09 -1.93 -3.05 117.51 121.80 1kfs h ILE 364 Ca 0.05 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.41 1kfs h ILE 364 Cb 0.45 1.07 0.00 0.00 0.47 0.00 0.00 36.82 38.81 1kfs h ILE 364 CO -0.18 0.04 -0.02 -1.54 -3.07 0.00 0.00 178.15 173.38 1kfs n SER 365 N -4.49 1.95 -4.77 2.19 3.41 -1.05 -5.00 113.62 105.86 1kfs n SER 365 Ca -0.03 -1.47 -0.38 0.00 -0.26 0.00 0.00 58.87 56.73 1kfs n SER 365 Cb 0.12 0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1kfs n SER 365 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kfs s ALA 366 N -1.03 3.04 -0.08 7.33 0.00 0.55 -4.97 121.76 126.59 1kfs s ALA 366 Ca 0.14 0.99 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 1kfs s ALA 366 Cb 0.10 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1kfs s ALA 366 CO 0.16 -0.67 -0.04 -0.80 0.00 0.00 0.00 175.76 174.41 1kfs s ASN 367 N -1.22 4.89 0.09 0.00 0.01 -1.26 -4.93 114.94 112.51 1kfs s ASN 367 Ca 0.62 0.03 -0.31 0.00 -0.71 0.00 0.00 52.86 52.49 1kfs s ASN 367 Cb -0.31 -1.35 -0.08 0.00 0.41 0.00 0.00 41.25 39.93 1kfs s ASN 367 CO 0.38 0.35 1.43 -0.22 -1.51 0.00 0.00 177.10 177.52 1kfs s LEU 368 N -0.71 4.36 -0.13 0.60 2.96 -1.26 -1.62 118.68 122.87 1kfs s LEU 368 Ca 0.11 2.32 0.11 0.00 -0.22 0.00 0.00 54.13 56.44 1kfs s LEU 368 Cb -0.11 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 42.84 1kfs s LEU 368 CO 0.02 -0.70 0.03 0.52 -1.32 0.00 0.00 176.35 174.90 1kfs n VAL 369 N 4.17 0.91 -3.71 1.68 0.31 0.50 -4.56 118.33 117.63 1kfs n VAL 369 Ca 0.12 -0.54 -0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1kfs n VAL 369 Cb 0.42 -0.68 -0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1kfs n VAL 369 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1kfs s GLY 370 N -4.70 -0.29 0.06 2.92 0.00 -0.93 -0.43 107.32 103.94 1kfs s GLY 370 Ca -0.08 0.37 0.03 0.00 0.00 0.00 0.00 44.72 45.04 1kfs s GLY 370 CO 0.53 0.58 -0.09 1.08 0.00 0.00 0.00 173.10 175.20 1kfs s LEU 371 N -3.05 2.31 0.03 0.66 1.02 -0.59 -0.38 118.68 118.68 1kfs s LEU 371 Ca 0.15 -0.65 0.03 0.00 0.02 0.00 0.00 54.13 53.68 1kfs s LEU 371 Cb 0.02 -0.21 -0.02 0.00 0.02 0.00 0.00 46.19 46.00 1kfs s LEU 371 CO -0.01 -0.23 -0.08 -0.94 0.02 0.00 0.00 176.35 175.11 1kfs s SER 372 N -1.89 0.94 0.07 2.29 1.04 -0.08 0.13 113.70 116.20 1kfs s SER 372 Ca -0.04 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 55.98 1kfs s SER 372 Cb -0.07 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 1kfs s SER 372 CO -0.00 -0.10 -0.08 -0.36 0.98 0.00 0.00 173.24 173.68 1kfs s PHE 373 N -1.00 0.81 -0.06 5.02 0.40 -0.57 -1.31 117.98 121.27 1kfs s PHE 373 Ca -0.05 -0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 55.57 1kfs s PHE 373 Cb -0.08 -0.47 0.03 0.00 0.51 0.00 0.00 43.02 43.01 1kfs s PHE 373 CO 0.00 -0.10 0.06 0.00 0.70 0.00 0.00 175.22 175.88 1kfs s ALA 374 N -2.38 0.29 -0.51 5.36 0.00 -0.80 -1.10 121.76 122.62 1kfs s ALA 374 Ca 0.00 0.11 0.23 0.00 0.00 0.00 0.00 51.96 52.30 1kfs s ALA 374 Cb -0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 1kfs s ALA 374 CO -0.02 -0.56 0.96 0.44 0.00 0.00 0.00 175.76 176.59 1kfs n ILE 375 N 5.29 0.20 -3.52 0.00 -5.35 -0.68 -1.32 119.36 113.97 1kfs n ILE 375 Ca -0.04 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.01 1kfs n ILE 375 Cb 0.50 0.14 -0.04 0.00 -1.74 0.00 0.00 39.64 38.49 1kfs n ILE 375 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1kfs s GLU 376 N -3.25 0.87 -0.18 6.28 2.12 -1.22 -4.90 118.70 118.43 1kfs s GLU 376 Ca 0.02 0.02 -0.34 0.00 0.36 0.00 0.00 54.97 55.03 1kfs s GLU 376 Cb 0.14 0.41 -0.11 0.00 0.26 0.00 0.00 34.13 34.83 1kfs s GLU 376 CO 0.81 -0.31 2.00 -2.30 -0.54 0.00 0.00 175.26 174.92 1kfs n PRO 377 N 0.46 1.83 -0.09 4.30 -0.02 -1.26 -0.40 135.00 139.82 1kfs n PRO 377 Ca -0.14 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1kfs n PRO 377 Cb 0.59 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1kfs n PRO 377 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kfs n GLY 378 N 5.10 0.68 3.04 -1.23 0.00 -1.26 -5.00 105.19 106.52 1kfs n GLY 378 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 1kfs n GLY 378 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfs s VAL 379 N -2.33 2.86 0.05 1.61 1.01 0.47 -4.89 120.40 119.18 1kfs s VAL 379 Ca 0.00 -2.67 -0.05 0.00 0.00 0.00 0.00 61.98 59.26 1kfs s VAL 379 Cb 0.00 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1kfs s VAL 379 CO 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 175.10 174.46 1kfs s ALA 380 N 0.44 0.04 0.07 5.51 0.00 -1.26 -1.69 121.76 124.86 1kfs s ALA 380 Ca 0.13 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1kfs s ALA 380 Cb -0.22 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1kfs s ALA 380 CO -0.04 -0.38 -0.07 0.00 0.00 0.00 0.00 175.76 175.28 1kfs s ALA 381 N -3.25 0.71 -0.13 0.00 0.00 -0.26 -3.05 121.76 115.79 1kfs s ALA 381 Ca 0.01 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1kfs s ALA 381 Cb 0.03 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1kfs s ALA 381 CO -0.08 -0.15 -0.22 -0.47 0.00 0.00 0.00 175.76 174.84 1kfs s TYR 382 N -2.59 2.57 -0.54 0.00 5.04 -0.65 -1.52 117.35 119.66 1kfs s TYR 382 Ca 0.01 -1.24 -0.05 0.00 -2.44 0.00 0.00 57.07 53.35 1kfs s TYR 382 Cb -0.02 -1.75 0.14 0.00 0.35 0.00 0.00 41.96 40.68 1kfs s TYR 382 CO -0.03 -0.56 0.37 0.42 -1.34 0.00 0.00 175.55 174.41 1kfs s ILE 383 N 0.73 3.80 0.19 3.14 1.01 0.12 -1.22 121.20 128.97 1kfs s ILE 383 Ca -0.09 -2.40 -0.30 0.00 0.00 0.00 0.00 60.65 57.86 1kfs s ILE 383 Cb -0.16 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.72 1kfs s ILE 383 CO 0.00 -0.81 1.12 -2.84 0.00 0.00 0.00 174.94 172.42 1kfs s PRO 384 N 0.63 4.57 0.00 2.79 0.02 -1.26 -1.54 135.00 140.21 1kfs s PRO 384 Ca 0.12 1.76 0.00 0.00 0.02 0.00 0.00 61.00 62.90 1kfs s PRO 384 Cb -0.22 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1kfs s PRO 384 CO -0.03 0.05 0.00 1.33 -0.33 0.00 0.00 177.00 178.02 1kfs n VAL 385 N 2.29 0.00 -2.50 3.83 0.24 0.43 -4.06 118.33 118.55 1kfs n VAL 385 Ca 0.03 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.28 1kfs n VAL 385 Cb 0.46 -0.24 0.05 0.00 -1.47 0.00 0.00 33.84 32.64 1kfs n VAL 385 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kfs n ALA 386 N -1.38 3.24 -2.35 2.33 0.00 -0.08 -3.97 120.51 118.30 1kfs n ALA 386 Ca 0.00 -2.99 -0.41 0.00 0.00 0.00 0.00 53.44 50.03 1kfs n ALA 386 Cb 0.20 -0.68 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 1kfs n ALA 386 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1kfs s HIS 387 N -3.18 3.73 -0.06 0.00 3.76 -1.26 -4.69 115.29 113.59 1kfs s HIS 387 Ca 0.35 1.72 0.24 0.00 -0.15 0.00 0.00 55.06 57.22 1kfs s HIS 387 Cb 0.36 -3.12 0.44 0.00 1.11 0.00 0.00 32.58 31.37 1kfs s HIS 387 CO -0.04 -0.03 1.17 -0.40 -0.85 0.00 0.00 174.74 174.58 1kfs n ASP 388 N 3.05 1.23 -4.69 1.40 5.68 -0.20 -4.88 116.55 118.15 1kfs n ASP 388 Ca 0.04 -2.25 -0.29 0.00 -0.50 0.00 0.00 54.79 51.79 1kfs n ASP 388 Cb 0.49 -0.35 0.16 0.00 -1.14 0.00 0.00 41.12 40.29 1kfs n ASP 388 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1kfs s TYR 389 N -0.91 2.16 -0.04 2.11 1.13 -1.22 -4.88 117.35 115.69 1kfs s TYR 389 Ca 0.34 1.09 -0.33 0.00 -1.41 0.00 0.00 57.07 56.75 1kfs s TYR 389 Cb 0.38 -3.22 -0.11 0.00 -1.10 0.00 0.00 41.96 37.90 1kfs s TYR 389 CO -0.14 -2.75 1.87 -0.11 -2.51 0.00 0.00 175.55 171.92 1kfs n LEU 390 N -4.09 3.56 -1.24 -3.49 -0.00 -1.26 -2.16 117.00 108.32 1kfs n LEU 390 Ca 0.06 0.97 -0.13 0.00 -0.00 0.00 0.00 56.01 56.91 1kfs n LEU 390 Cb 0.56 -1.41 -0.03 0.00 -0.00 0.00 0.00 43.42 42.55 1kfs n LEU 390 CO 0.57 -0.02 -0.14 0.47 -0.00 0.00 0.00 177.39 178.26 1kfs n ASP 391 N 6.49 -4.24 -4.75 1.96 8.00 -1.26 -4.99 116.55 117.77 1kfs n ASP 391 Ca 0.22 0.13 -0.42 0.00 0.71 0.00 0.00 54.79 55.43 1kfs n ASP 391 Cb 0.31 -3.18 -0.01 0.00 -0.02 0.00 0.00 41.12 38.23 1kfs n ASP 391 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kfs n ALA 392 N -0.34 2.30 -0.82 2.24 0.00 -0.92 -4.95 120.51 118.03 1kfs n ALA 392 Ca -0.14 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.36 1kfs n ALA 392 Cb 0.53 -2.42 0.16 0.00 0.00 0.00 0.00 19.45 17.71 1kfs n ALA 392 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1kfs s PRO 393 N -1.14 1.10 0.63 0.00 0.02 -1.26 -4.95 135.00 129.40 1kfs s PRO 393 Ca 0.60 1.38 -0.19 0.00 0.02 0.00 0.00 61.00 62.81 1kfs s PRO 393 Cb -0.51 -1.75 -0.02 0.00 0.02 0.00 0.00 34.50 32.25 1kfs s PRO 393 CO 0.55 -2.52 1.30 -0.25 -0.33 0.00 0.00 177.00 175.75 1kfs n ASP 394 N -4.14 2.19 -4.04 2.53 8.00 -1.26 -5.02 116.55 114.80 1kfs n ASP 394 Ca 0.10 0.86 -0.08 0.00 0.71 0.00 0.00 54.79 56.39 1kfs n ASP 394 Cb 0.53 -1.56 -0.10 0.00 -0.02 0.00 0.00 41.12 39.96 1kfs n ASP 394 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1kfs s GLN 395 N -3.25 0.51 0.39 -1.24 -0.21 -1.26 -4.94 119.66 109.67 1kfs s GLN 395 Ca 0.80 -0.99 -0.27 0.00 0.02 0.00 0.00 55.36 54.92 1kfs s GLN 395 Cb -0.39 0.18 -0.10 0.00 1.00 0.00 0.00 33.01 33.70 1kfs s GLN 395 CO 0.42 -0.09 1.43 0.42 -2.12 0.00 0.00 175.29 175.35 1kfs s ILE 396 N -3.04 2.18 0.59 1.08 1.01 -1.26 -4.93 121.20 116.84 1kfs s ILE 396 Ca -0.01 0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.65 1kfs s ILE 396 Cb 0.02 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 1kfs s ILE 396 CO -0.07 0.04 1.10 -0.94 0.00 0.00 0.00 174.94 175.06 1kfs s SER 397 N -0.34 5.56 0.24 3.58 1.04 -1.26 -4.41 113.70 118.12 1kfs s SER 397 Ca 0.55 2.00 -0.05 0.00 0.48 0.00 0.00 55.95 58.92 1kfs s SER 397 Cb -0.44 -2.56 0.35 0.00 0.10 0.00 0.00 66.02 63.48 1kfs s SER 397 CO 0.59 -1.32 1.83 -0.09 0.98 0.00 0.00 173.24 175.23 1kfs h ARG 398 N 0.61 0.84 -0.44 4.02 2.43 -1.92 -0.35 114.38 119.57 1kfs h ARG 398 Ca -0.48 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.53 1kfs h ARG 398 Cb 1.24 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1kfs h ARG 398 CO 0.56 0.56 -0.15 0.93 -1.51 0.00 0.00 179.97 180.35 1kfs h GLU 399 N 0.87 0.82 -0.05 0.20 4.39 -1.95 -1.55 114.58 117.31 1kfs h GLU 399 Ca 0.38 -0.30 -0.23 0.00 0.34 0.00 0.00 59.36 59.55 1kfs h GLU 399 Cb 0.26 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1kfs h GLU 399 CO -0.21 0.92 -0.90 -0.09 -1.16 0.00 0.00 179.01 177.58 1kfs h ARG 400 N 0.73 0.60 -0.31 2.33 9.65 -1.77 -2.13 114.38 123.47 1kfs h ARG 400 Ca 0.11 -0.58 -0.04 0.00 -1.10 0.00 0.00 59.98 58.38 1kfs h ARG 400 Cb 0.66 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1kfs h ARG 400 CO 0.05 1.19 0.05 0.00 2.80 0.00 0.00 179.97 184.06 1kfs h ALA 401 N 0.62 0.41 -0.42 2.80 0.00 -1.02 -2.46 119.26 119.18 1kfs h ALA 401 Ca -0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1kfs h ALA 401 Cb 1.53 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1kfs h ALA 401 CO 0.17 0.10 -0.06 -0.07 0.00 0.00 0.00 179.25 179.40 1kfs h LEU 402 N 0.33 0.70 -0.74 0.00 3.38 -1.30 -0.07 115.31 117.61 1kfs h LEU 402 Ca 0.09 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1kfs h LEU 402 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1kfs h LEU 402 CO 0.01 0.80 -0.57 1.05 0.09 0.00 0.00 178.44 179.82 1kfs h GLU 403 N 0.67 0.19 -0.13 1.13 4.11 -1.33 0.35 114.58 119.57 1kfs h GLU 403 Ca 0.12 -0.12 -0.22 0.00 0.07 0.00 0.00 59.36 59.21 1kfs h GLU 403 Cb 0.50 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1kfs h GLU 403 CO 0.03 0.70 -0.78 -0.07 0.07 0.00 0.00 179.01 178.96 1kfs h LEU 404 N 0.15 0.86 0.00 3.06 3.38 -1.18 -3.28 115.31 118.29 1kfs h LEU 404 Ca -0.00 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 1kfs h LEU 404 Cb 1.04 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1kfs h LEU 404 CO 0.08 1.35 -0.44 -0.07 0.09 0.00 0.00 178.44 179.46 1kfs h LEU 405 N 0.49 0.00 -0.56 1.67 4.07 -0.91 -3.39 115.31 116.68 1kfs h LEU 405 Ca -0.05 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.02 1kfs h LEU 405 Cb 1.40 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 43.04 1kfs h LEU 405 CO 0.16 0.06 -0.10 0.50 -1.08 0.00 0.00 178.44 177.98 1kfs h LYS 406 N 0.00 0.03 -0.34 1.13 3.64 -0.36 -1.86 116.57 118.82 1kfs h LYS 406 Ca -0.01 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1kfs h LYS 406 Cb 1.05 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1kfs h LYS 406 CO 0.01 0.02 0.09 -1.35 -2.27 0.00 0.00 179.45 175.95 1kfs h PRO 407 N 0.03 0.21 -0.57 1.90 0.11 -1.78 -0.95 132.00 130.95 1kfs h PRO 407 Ca 0.27 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 1kfs h PRO 407 Cb 0.43 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 1kfs h PRO 407 CO -0.55 0.14 0.30 1.25 -0.21 0.00 0.00 178.00 178.93 1kfs h LEU 408 N 0.22 0.73 -0.63 2.35 5.85 -1.76 -2.07 115.31 120.00 1kfs h LEU 408 Ca 0.16 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1kfs h LEU 408 Cb 0.16 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1kfs h LEU 408 CO -0.19 0.64 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.43 1kfs h LEU 409 N 0.78 1.01 -0.65 2.25 4.07 -1.15 -3.07 115.31 118.56 1kfs h LEU 409 Ca 0.20 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1kfs h LEU 409 Cb 0.08 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.55 1kfs h LEU 409 CO -0.03 1.09 0.00 -0.62 -1.08 0.00 0.00 178.44 177.80 1kfs n GLU 410 N -4.16 1.44 -2.84 1.13 1.02 -0.38 -1.31 120.64 115.54 1kfs n GLU 410 Ca 0.02 -0.65 -0.43 0.00 -0.02 0.00 0.00 57.16 56.09 1kfs n GLU 410 Cb 0.37 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 1kfs n GLU 410 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1kfs s ASP 411 N -1.89 6.51 0.59 1.62 -1.08 -0.79 -4.57 116.67 117.05 1kfs s ASP 411 Ca 0.39 0.15 0.29 0.00 -0.52 0.00 0.00 52.55 52.85 1kfs s ASP 411 Cb 0.20 -2.44 1.76 0.00 -1.46 0.00 0.00 42.92 40.97 1kfs s ASP 411 CO 0.32 -1.01 2.23 1.05 0.52 0.00 0.00 175.17 178.28 1kfs h GLU 412 N 8.99 0.00 0.00 4.34 4.11 -1.87 -1.31 114.58 128.85 1kfs h GLU 412 Ca -0.24 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.12 1kfs h GLU 412 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1kfs h GLU 412 CO 1.01 0.00 -0.32 0.87 0.07 0.00 0.00 179.01 180.64 1kfs h LYS 413 N 0.00 0.00 -5.84 1.06 1.79 -1.93 -3.33 116.57 108.33 1kfs h LYS 413 Ca 0.01 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.88 1kfs h LYS 413 Cb 0.08 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.61 1kfs h LYS 413 CO -0.00 0.32 0.60 0.00 -1.08 0.00 0.00 179.45 179.28 1kfs s ALA 414 N -3.28 3.13 -0.05 3.86 0.00 -0.49 -5.00 121.76 119.92 1kfs s ALA 414 Ca 0.03 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.37 1kfs s ALA 414 Cb 0.08 -3.79 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1kfs s ALA 414 CO 0.69 -2.49 1.12 -0.51 0.00 0.00 0.00 175.76 174.56 1kfs s LEU 415 N 4.07 4.29 0.04 0.00 1.43 -1.26 -4.43 118.68 122.83 1kfs s LEU 415 Ca 0.30 1.74 0.04 0.00 -1.03 0.00 0.00 54.13 55.18 1kfs s LEU 415 Cb -0.13 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1kfs s LEU 415 CO 0.18 -0.49 -0.05 -0.54 0.23 0.00 0.00 176.35 175.68 1kfs s LYS 416 N 1.84 2.51 -0.02 1.70 3.01 0.19 -2.28 119.74 126.70 1kfs s LYS 416 Ca 0.54 -0.78 0.06 0.00 -1.01 0.00 0.00 55.97 54.77 1kfs s LYS 416 Cb -0.23 -2.50 -0.03 0.00 -1.01 0.00 0.00 37.83 34.06 1kfs s LYS 416 CO 0.23 0.58 -0.19 0.08 0.51 0.00 0.00 175.35 176.55 1kfs s VAL 417 N -1.12 2.68 0.12 3.17 1.01 -0.20 -1.72 120.40 124.35 1kfs s VAL 417 Ca 0.20 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 1kfs s VAL 417 Cb -0.11 -2.04 0.07 0.00 0.00 0.00 0.00 36.38 34.30 1kfs s VAL 417 CO 0.11 0.53 0.82 -0.83 0.00 0.00 0.00 175.10 175.74 1kfs s GLY 418 N -0.86 -0.37 -0.37 4.51 0.00 -0.50 -0.80 107.32 108.93 1kfs s GLY 418 Ca 0.12 0.43 -0.12 0.00 0.00 0.00 0.00 44.72 45.14 1kfs s GLY 418 CO 0.01 0.13 0.23 1.62 0.00 0.00 0.00 173.10 175.09 1kfs s GLN 419 N -3.43 3.12 -0.90 2.90 2.00 -1.26 -1.15 119.66 120.94 1kfs s GLN 419 Ca 0.07 -0.90 -0.05 0.00 -2.00 0.00 0.00 55.36 52.49 1kfs s GLN 419 Cb -0.02 -3.79 -0.06 0.00 0.80 0.00 0.00 33.01 29.94 1kfs s GLN 419 CO -0.04 -0.60 0.79 -1.71 -0.50 0.00 0.00 175.29 173.23 1kfs n ASN 420 N 5.07 -6.09 0.20 6.67 5.15 -1.26 -4.88 115.26 120.11 1kfs n ASN 420 Ca -0.12 -0.59 0.14 0.00 -0.60 0.00 0.00 54.58 53.40 1kfs n ASN 420 Cb 0.48 -4.61 0.73 0.00 -0.53 0.00 0.00 39.78 35.84 1kfs n ASN 420 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1kfs h LEU 421 N -0.88 0.00 -0.54 1.20 4.07 -1.93 -2.51 115.31 114.72 1kfs h LEU 421 Ca -0.51 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.48 1kfs h LEU 421 Cb 1.26 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.96 1kfs h LEU 421 CO 0.38 0.00 0.32 0.50 -1.08 0.00 0.00 178.44 178.55 1kfs h LYS 422 N 0.00 0.60 -0.26 1.13 3.64 -1.90 -0.64 116.57 119.15 1kfs h LYS 422 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1kfs h LYS 422 Cb 0.05 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1kfs h LYS 422 CO 0.00 0.40 0.13 -0.92 -2.27 0.00 0.00 179.45 176.79 1kfs h TYR 423 N 0.62 0.37 -0.61 1.91 3.20 -1.81 -2.84 116.97 117.81 1kfs h TYR 423 Ca 0.22 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 1kfs h TYR 423 Cb 0.05 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1kfs h TYR 423 CO -0.07 0.33 0.01 -0.44 -1.64 0.00 0.00 178.16 176.35 1kfs h ASP 424 N 0.30 1.03 -1.00 -2.11 3.32 -1.60 -2.37 116.42 113.99 1kfs h ASP 424 Ca 0.09 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.87 1kfs h ASP 424 Cb 0.09 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 1kfs h ASP 424 CO -0.01 1.07 0.66 -0.09 -1.72 0.00 0.00 179.24 179.15 1kfs h ARG 425 N 0.97 1.32 -0.20 3.56 1.12 -1.11 -2.49 114.38 117.53 1kfs h ARG 425 Ca 0.17 -0.08 -0.04 0.00 -1.11 0.00 0.00 59.98 58.93 1kfs h ARG 425 Cb 0.54 -0.30 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1kfs h ARG 425 CO 0.03 0.87 -0.03 0.78 -3.11 0.00 0.00 179.97 178.51 1kfs h GLY 426 N 1.36 0.41 0.49 2.80 0.00 -1.21 -2.21 103.07 104.71 1kfs h GLY 426 Ca 0.37 -0.32 0.07 0.00 0.00 0.00 0.00 47.33 47.44 1kfs h GLY 426 CO -0.08 0.30 0.16 -2.22 0.00 0.00 0.00 176.54 174.70 1kfs h ILE 427 N 0.12 0.81 -0.19 2.60 1.08 -1.29 -1.48 117.51 119.15 1kfs h ILE 427 Ca 0.05 -0.11 -0.05 0.00 -0.39 0.00 0.00 64.86 64.36 1kfs h ILE 427 Cb 0.46 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1kfs h ILE 427 CO 0.02 0.06 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.35 1kfs h LEU 428 N 0.32 0.28 -1.96 1.44 3.38 -1.37 -1.16 115.31 116.25 1kfs h LEU 428 Ca 0.24 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1kfs h LEU 428 Cb 0.27 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1kfs h LEU 428 CO -0.26 0.43 -0.10 0.00 0.09 0.00 0.00 178.44 178.60 1kfs h ALA 429 N 1.60 1.22 0.00 1.53 0.00 -0.63 -0.05 119.26 122.94 1kfs h ALA 429 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kfs h ALA 429 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1kfs h ALA 429 CO 0.02 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.48 1kfs n ASN 430 N -3.53 0.00 -0.11 0.00 3.02 -0.44 -2.30 115.26 111.90 1kfs n ASN 430 Ca -0.02 0.44 0.09 0.00 -0.03 0.00 0.00 54.58 55.06 1kfs n ASN 430 Cb 0.23 -0.46 0.13 0.00 -0.61 0.00 0.00 39.78 39.06 1kfs n ASN 430 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1kfs n TYR 431 N -1.46 0.00 -1.85 3.10 4.01 -0.07 -4.98 117.16 115.91 1kfs n TYR 431 Ca 0.03 -0.91 -0.11 0.00 -0.16 0.00 0.00 57.90 56.74 1kfs n TYR 431 Cb 0.12 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 38.98 1kfs n TYR 431 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kfs n GLY 432 N -1.31 0.45 3.41 2.72 0.00 -0.97 -5.02 105.19 104.47 1kfs n GLY 432 Ca 0.15 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1kfs n GLY 432 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kfs s ILE 433 N -2.50 3.30 -0.48 -0.61 1.01 -0.97 -5.01 121.20 115.95 1kfs s ILE 433 Ca 0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 1kfs s ILE 433 Cb 0.00 -2.41 0.10 0.00 0.01 0.00 0.00 42.46 40.16 1kfs s ILE 433 CO 0.00 0.51 0.37 -1.61 0.00 0.00 0.00 174.94 174.22 1kfs s GLU 434 N 0.36 2.74 -0.03 2.79 0.41 -1.26 -3.03 118.70 120.68 1kfs s GLU 434 Ca -0.09 -1.59 -0.30 0.00 -0.41 0.00 0.00 54.97 52.59 1kfs s GLU 434 Cb -0.15 -4.03 -0.06 0.00 -1.78 0.00 0.00 34.13 28.10 1kfs s GLU 434 CO 0.05 -1.13 1.75 -1.17 -0.49 0.00 0.00 175.26 174.26 1kfs s LEU 435 N 1.50 4.34 0.51 1.80 0.20 -1.26 -4.09 118.68 121.68 1kfs s LEU 435 Ca 0.04 2.35 0.02 0.00 0.69 0.00 0.00 54.13 57.23 1kfs s LEU 435 Cb -0.26 -3.53 -0.01 0.00 -0.43 0.00 0.00 46.19 41.96 1kfs s LEU 435 CO 0.02 -0.97 0.09 -0.13 -0.29 0.00 0.00 176.35 175.07 1kfs s ARG 436 N 4.18 2.20 -1.15 1.98 0.52 -0.43 -4.72 118.95 121.53 1kfs s ARG 436 Ca 0.78 -2.30 0.00 0.00 -0.52 0.00 0.00 55.73 53.69 1kfs s ARG 436 Cb -0.36 -1.67 0.00 0.00 0.52 0.00 0.00 34.95 33.45 1kfs s ARG 436 CO 0.33 -0.40 0.00 0.41 0.02 0.00 0.00 175.30 175.66 1kfs n GLY 437 N -1.36 -0.02 3.46 -3.53 0.00 -1.25 -4.69 105.19 97.80 1kfs n GLY 437 Ca -0.15 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1kfs n GLY 437 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kfs n ILE 438 N -3.88 3.18 0.03 -0.61 5.41 -1.26 -0.63 119.36 121.60 1kfs n ILE 438 Ca -0.15 -3.23 -0.21 0.00 1.00 0.00 0.00 62.75 60.16 1kfs n ILE 438 Cb 0.60 -2.32 -0.14 0.00 -0.71 0.00 0.00 39.64 37.06 1kfs n ILE 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kfs h ALA 439 N 8.04 0.35 -3.56 -1.39 0.00 -1.86 -3.46 119.26 117.38 1kfs h ALA 439 Ca 0.39 -1.29 -0.35 0.00 0.00 0.00 0.00 54.91 53.67 1kfs h ALA 439 Cb 0.85 0.57 -0.33 0.00 0.00 0.00 0.00 17.79 18.88 1kfs h ALA 439 CO 1.47 1.22 -0.75 -0.06 0.00 0.00 0.00 179.25 181.12 1kfs s PHE 440 N -2.57 0.42 -0.22 0.00 0.08 -0.70 -4.98 117.98 110.01 1kfs s PHE 440 Ca -0.18 -0.06 0.01 0.00 0.12 0.00 0.00 56.93 56.82 1kfs s PHE 440 Cb 0.06 -0.43 0.05 0.00 -0.57 0.00 0.00 43.02 42.14 1kfs s PHE 440 CO 0.81 -0.12 -0.08 0.34 -0.10 0.00 0.00 175.22 176.07 1kfs s ASP 441 N 0.78 3.67 0.55 1.36 -1.08 -1.26 -1.41 116.67 119.29 1kfs s ASP 441 Ca -0.08 -1.05 0.22 0.00 -0.52 0.00 0.00 52.55 51.12 1kfs s ASP 441 Cb -0.12 -1.23 1.51 0.00 -1.46 0.00 0.00 42.92 41.62 1kfs s ASP 441 CO -0.01 -0.19 2.18 0.71 0.52 0.00 0.00 175.17 178.38 1kfs h THR 442 N 6.55 0.77 -0.55 1.71 1.35 -1.49 0.19 112.91 121.44 1kfs h THR 442 Ca -0.23 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.59 1kfs h THR 442 Cb 1.08 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 1kfs h THR 442 CO 0.44 0.00 0.15 -0.03 -0.25 0.00 0.00 175.52 175.83 1kfs h MET 443 N 0.00 0.86 0.00 4.72 -1.53 -1.80 -1.49 114.93 115.69 1kfs h MET 443 Ca 0.02 -0.20 -0.14 0.00 -3.44 0.00 0.00 59.70 55.94 1kfs h MET 443 Cb 0.10 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.01 1kfs h MET 443 CO -0.00 0.80 -0.66 -0.07 0.14 0.00 0.00 176.91 177.12 1kfs h LEU 444 N 0.77 0.00 0.05 3.39 3.38 -1.51 -1.81 115.31 119.58 1kfs h LEU 444 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1kfs h LEU 444 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1kfs h LEU 444 CO -0.00 0.66 -0.02 -0.33 0.09 0.00 0.00 178.44 178.84 1kfs h GLU 445 N 0.00 -0.07 -0.01 1.13 5.08 -0.79 -2.08 114.58 117.84 1kfs h GLU 445 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1kfs h GLU 445 Cb 1.36 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 1kfs h GLU 445 CO 0.09 0.14 -0.09 1.03 -1.00 0.00 0.00 179.01 179.18 1kfs h SER 446 N -0.27 -0.26 -0.77 1.42 0.87 -1.27 -1.75 113.55 111.52 1kfs h SER 446 Ca -0.01 0.04 0.12 0.00 -1.23 0.00 0.00 61.79 60.71 1kfs h SER 446 Cb 0.24 0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.23 1kfs h SER 446 CO 0.01 -0.13 0.39 0.22 -0.53 0.00 0.00 176.83 176.78 1kfs h TYR 447 N -0.15 0.68 0.00 2.24 3.20 -1.27 -1.98 116.97 119.69 1kfs h TYR 447 Ca 0.04 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.76 1kfs h TYR 447 Cb 0.20 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1kfs h TYR 447 CO -0.16 0.21 -0.83 0.82 -1.64 0.00 0.00 178.16 176.56 1kfs h ILE 448 N 0.61 1.55 -0.40 1.81 1.08 -1.22 0.04 117.51 120.98 1kfs h ILE 448 Ca 0.40 -2.71 -0.01 0.00 -0.39 0.00 0.00 64.86 62.14 1kfs h ILE 448 Cb 0.49 2.48 -0.02 0.00 -3.07 0.00 0.00 36.82 36.70 1kfs h ILE 448 CO -0.31 0.78 0.20 -0.07 -0.69 0.00 0.00 178.15 178.06 1kfs h LEU 449 N 0.04 0.51 -5.87 1.44 4.07 -0.62 -3.43 115.31 111.45 1kfs h LEU 449 Ca -0.02 -0.11 0.10 0.00 0.08 0.00 0.00 57.88 57.93 1kfs h LEU 449 Cb 1.45 -0.13 -0.19 0.00 1.08 0.00 0.00 40.66 42.87 1kfs h LEU 449 CO 0.11 0.48 -0.21 0.21 -1.08 0.00 0.00 178.44 177.96 1kfs s ASN 450 N -5.74 -0.94 0.61 -0.43 2.47 -0.83 -5.04 114.94 105.05 1kfs s ASN 450 Ca -0.13 -0.06 0.28 0.00 0.42 0.00 0.00 52.86 53.36 1kfs s ASN 450 Cb 0.10 1.47 1.42 0.00 -1.45 0.00 0.00 41.25 42.79 1kfs s ASN 450 CO 0.74 -0.15 1.83 0.77 -3.72 0.00 0.00 177.10 176.57 1kfs h SER 451 N 7.15 0.00 -0.26 -4.21 4.64 -1.18 -1.15 113.55 118.53 1kfs h SER 451 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1kfs h SER 451 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1kfs h SER 451 CO 0.01 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.30 1kfs n VAL 452 N -3.42 1.97 0.12 0.95 0.24 -1.26 -4.60 118.33 112.32 1kfs n VAL 452 Ca 0.06 -1.68 0.02 0.00 -2.04 0.00 0.00 64.34 60.70 1kfs n VAL 452 Cb 0.66 -0.07 0.39 0.00 -1.47 0.00 0.00 33.84 33.35 1kfs n VAL 452 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kfs h ALA 453 N 1.75 1.50 0.00 2.33 0.00 -1.58 -3.48 119.26 119.78 1kfs h ALA 453 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1kfs h ALA 453 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kfs h ALA 453 CO 0.16 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1kfs n GLY 454 N -0.86 -0.62 3.76 0.00 0.00 -1.26 -5.12 105.19 101.09 1kfs n GLY 454 Ca -0.01 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 1kfs n GLY 454 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kfs s ARG 455 N -2.00 3.30 -0.21 1.61 0.52 -1.26 -4.95 118.95 115.96 1kfs s ARG 455 Ca 0.00 1.93 0.15 0.00 -0.52 0.00 0.00 55.73 57.29 1kfs s ARG 455 Cb 0.00 -2.19 0.66 0.00 0.52 0.00 0.00 34.95 33.94 1kfs s ARG 455 CO 0.00 -0.97 1.57 0.72 0.02 0.00 0.00 175.30 176.64 1kfs n HIS 456 N -1.04 1.46 -1.94 -0.53 8.25 -1.26 -4.48 115.22 115.68 1kfs n HIS 456 Ca 0.10 -0.82 -0.31 0.00 -0.26 0.00 0.00 57.72 56.44 1kfs n HIS 456 Cb 0.48 -0.41 0.01 0.00 1.12 0.00 0.00 29.99 31.19 1kfs n HIS 456 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1kfs s ASP 457 N -1.43 6.21 0.39 0.41 -4.77 -1.26 -4.53 116.67 111.69 1kfs s ASP 457 Ca 0.48 1.37 0.09 0.00 -3.30 0.00 0.00 52.55 51.18 1kfs s ASP 457 Cb 0.38 -2.43 0.86 0.00 -1.09 0.00 0.00 42.92 40.63 1kfs s ASP 457 CO 0.12 -0.86 1.98 -0.03 0.70 0.00 0.00 175.17 177.08 1kfs h MET 458 N -0.28 0.59 -0.25 2.11 1.85 -1.97 0.77 114.93 117.73 1kfs h MET 458 Ca -0.44 -0.04 -0.18 0.00 -0.61 0.00 0.00 59.70 58.43 1kfs h MET 458 Cb 1.19 -0.13 -0.00 0.00 0.43 0.00 0.00 31.60 33.09 1kfs h MET 458 CO 0.62 0.39 -0.57 -0.44 -0.40 0.00 0.00 176.91 176.51 1kfs h ASP 459 N 0.60 0.89 -0.23 1.39 5.19 -1.97 0.21 116.42 122.50 1kfs h ASP 459 Ca 0.27 -0.49 -0.09 0.00 -0.62 0.00 0.00 57.03 56.11 1kfs h ASP 459 Cb 0.30 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1kfs h ASP 459 CO -0.08 1.27 -0.20 0.28 -3.12 0.00 0.00 179.24 177.38 1kfs h SER 460 N 0.60 0.58 -0.27 6.45 0.02 -1.78 -2.61 113.55 116.54 1kfs h SER 460 Ca 0.01 -0.46 0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1kfs h SER 460 Cb 1.16 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 1kfs h SER 460 CO 0.12 0.92 0.11 -0.07 -1.14 0.00 0.00 176.83 176.77 1kfs h LEU 461 N 0.25 0.14 -0.90 5.07 3.38 -0.70 -1.34 115.31 121.21 1kfs h LEU 461 Ca 0.04 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1kfs h LEU 461 Cb 0.74 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1kfs h LEU 461 CO 0.05 0.11 0.58 0.00 0.09 0.00 0.00 178.44 179.28 1kfs h ALA 462 N 1.16 1.14 -0.18 1.53 0.00 -0.59 -0.33 119.26 122.00 1kfs h ALA 462 Ca 0.12 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1kfs h ALA 462 Cb 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1kfs h ALA 462 CO -0.11 0.56 -0.47 1.49 0.00 0.00 0.00 179.25 180.71 1kfs h GLU 463 N 1.22 0.47 0.00 0.00 4.81 -1.15 -0.03 114.58 119.91 1kfs h GLU 463 Ca 0.33 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1kfs h GLU 463 Cb -0.12 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1kfs h GLU 463 CO -0.07 0.84 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.96 1kfs h ARG 464 N 0.37 -0.00 0.00 1.92 2.43 -0.87 -3.05 114.38 115.19 1kfs h ARG 464 Ca 0.02 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.03 1kfs h ARG 464 Cb 0.97 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1kfs h ARG 464 CO 0.09 0.86 -1.42 0.91 -1.51 0.00 0.00 179.97 178.89 1kfs n TRP 465 N -4.67 0.95 0.25 2.20 7.02 -0.17 -4.46 117.44 118.56 1kfs n TRP 465 Ca -0.09 0.31 0.03 0.00 -1.02 0.00 0.00 57.50 56.72 1kfs n TRP 465 Cb 0.42 -1.07 -0.01 0.00 -2.42 0.00 0.00 31.31 28.23 1kfs n TRP 465 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1kfs n LEU 466 N -2.86 0.74 -3.45 -0.99 4.77 -0.10 -4.99 117.00 110.12 1kfs n LEU 466 Ca -0.10 -0.70 -0.25 0.00 -0.03 0.00 0.00 56.01 54.94 1kfs n LEU 466 Cb 0.83 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.95 1kfs n LEU 466 CO 0.43 0.16 0.07 0.29 -1.33 0.00 0.00 177.39 177.01 1kfs n LYS 467 N -0.55 -5.30 -4.51 3.23 4.01 -0.74 -4.96 118.16 109.34 1kfs n LYS 467 Ca 0.02 0.71 -0.23 0.00 -0.51 0.00 0.00 58.31 58.30 1kfs n LYS 467 Cb 0.11 -5.59 -0.16 0.00 -0.51 0.00 0.00 35.03 28.88 1kfs n LYS 467 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1kfs s HIS 468 N -3.18 1.30 -0.26 2.13 2.46 -1.00 -4.97 115.29 111.77 1kfs s HIS 468 Ca 0.48 -0.44 -0.16 0.00 0.47 0.00 0.00 55.06 55.41 1kfs s HIS 468 Cb -0.23 -0.96 -0.04 0.00 -0.13 0.00 0.00 32.58 31.22 1kfs s HIS 468 CO 0.59 -0.23 0.40 0.15 -2.47 0.00 0.00 174.74 173.18 1kfs s LYS 469 N 0.61 4.05 0.54 2.88 1.02 -1.26 -2.49 119.74 125.09 1kfs s LYS 469 Ca -0.12 0.11 -0.10 0.00 0.02 0.00 0.00 55.97 55.88 1kfs s LYS 469 Cb -0.15 -3.64 -0.05 0.00 -0.52 0.00 0.00 37.83 33.48 1kfs s LYS 469 CO 0.03 -0.26 0.93 0.95 -0.92 0.00 0.00 175.35 176.08 1kfs s THR 470 N 2.01 4.75 0.07 2.17 -4.23 -1.26 -5.01 115.64 114.13 1kfs s THR 470 Ca 0.17 0.72 -0.31 0.00 -1.18 0.00 0.00 61.69 61.09 1kfs s THR 470 Cb -0.16 -3.83 -0.06 0.00 1.34 0.00 0.00 72.50 69.79 1kfs s THR 470 CO 0.09 -0.94 1.33 -0.63 -0.54 0.00 0.00 174.62 173.93 1kfs s ILE 471 N -2.90 3.66 0.35 2.99 1.01 -1.26 -5.00 121.20 120.05 1kfs s ILE 471 Ca 0.53 1.16 -0.10 0.00 0.00 0.00 0.00 60.65 62.24 1kfs s ILE 471 Cb -0.11 -3.74 -0.07 0.00 0.01 0.00 0.00 42.46 38.56 1kfs s ILE 471 CO 0.46 0.07 0.70 0.28 0.00 0.00 0.00 174.94 176.44 1kfs s THR 472 N 1.42 4.83 0.20 2.92 -1.32 -1.26 -4.98 115.64 117.45 1kfs s THR 472 Ca 0.62 0.54 -0.11 0.00 -1.21 0.00 0.00 61.69 61.54 1kfs s THR 472 Cb -0.33 -3.70 0.14 0.00 -1.51 0.00 0.00 72.50 67.10 1kfs s THR 472 CO 0.29 -0.38 1.87 0.15 -2.21 0.00 0.00 174.62 174.34 1kfs h PHE 473 N 1.64 0.89 -0.30 9.09 3.57 -1.97 -1.14 116.94 128.71 1kfs h PHE 473 Ca -0.47 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.11 1kfs h PHE 473 Cb 1.18 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1kfs h PHE 473 CO 0.60 0.55 0.21 0.93 -2.23 0.00 0.00 178.31 178.37 1kfs h GLU 474 N 0.95 0.12 -0.29 1.11 3.07 -1.94 0.57 114.58 118.16 1kfs h GLU 474 Ca 0.27 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 59.03 1kfs h GLU 474 Cb -0.09 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 1kfs h GLU 474 CO -0.07 0.08 -0.21 0.93 -1.40 0.00 0.00 179.01 178.34 1kfs h GLU 475 N 0.12 0.55 0.00 2.33 5.08 -1.48 0.27 114.58 121.45 1kfs h GLU 475 Ca 0.14 -0.20 -0.23 0.00 -1.00 0.00 0.00 59.36 58.07 1kfs h GLU 475 Cb 0.39 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1kfs h GLU 475 CO -0.02 0.73 -2.05 0.44 -1.00 0.00 0.00 179.01 177.11 1kfs n ILE 476 N -4.14 1.02 -0.04 3.13 -5.35 -0.72 -4.60 119.36 108.67 1kfs n ILE 476 Ca 0.00 -0.73 0.05 0.00 -0.27 0.00 0.00 62.75 61.79 1kfs n ILE 476 Cb 0.39 -0.44 -0.17 0.00 -1.74 0.00 0.00 39.64 37.69 1kfs n ILE 476 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kfs n ALA 477 N -2.54 2.41 0.00 -1.28 0.00 0.11 -4.95 120.51 114.25 1kfs n ALA 477 Ca -0.20 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1kfs n ALA 477 Cb 0.94 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1kfs n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfs n GLY 478 N 1.42 -1.67 3.27 0.00 0.00 0.08 -0.29 105.19 107.99 1kfs n GLY 478 Ca -0.13 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.69 1kfs n GLY 478 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfs s LYS 479 N 0.00 1.17 2.16 1.61 1.02 -1.26 -4.42 119.74 120.02 1kfs s LYS 479 Ca 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.43 1kfs s LYS 479 Cb 0.00 -0.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.89 1kfs s LYS 479 CO 0.00 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1kfs n GLY 480 N -0.29 -0.58 0.35 -3.33 0.00 -1.26 -3.24 105.19 96.83 1kfs n GLY 480 Ca -0.07 -0.99 0.16 0.00 0.00 0.00 0.00 46.02 45.13 1kfs n GLY 480 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kfs h LYS 481 N 0.00 0.00 -0.64 1.61 1.57 -2.03 -0.14 116.57 116.93 1kfs h LYS 481 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kfs h LYS 481 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1kfs h LYS 481 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 1kfs n ASN 482 N -3.05 3.95 -4.77 0.86 3.02 -1.24 -4.97 115.26 109.05 1kfs n ASN 482 Ca -0.00 -2.25 -0.41 0.00 -0.03 0.00 0.00 54.58 51.89 1kfs n ASN 482 Cb 0.43 -0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 1kfs n ASN 482 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1kfs s GLN 483 N -1.56 4.23 0.49 3.52 0.74 -0.07 -4.82 119.66 122.20 1kfs s GLN 483 Ca 0.44 2.39 -0.18 0.00 0.05 0.00 0.00 55.36 58.06 1kfs s GLN 483 Cb 0.27 -3.03 -0.08 0.00 1.10 0.00 0.00 33.01 31.26 1kfs s GLN 483 CO 0.25 -0.38 0.99 -0.51 -0.55 0.00 0.00 175.29 175.09 1kfs s LEU 484 N -1.71 3.74 0.30 3.68 1.43 0.60 -5.00 118.68 121.71 1kfs s LEU 484 Ca 0.52 1.68 -0.01 0.00 -1.03 0.00 0.00 54.13 55.29 1kfs s LEU 484 Cb -0.43 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.22 1kfs s LEU 484 CO 0.56 -0.60 0.52 0.42 0.23 0.00 0.00 176.35 177.47 1kfs s THR 485 N -2.38 5.10 0.44 5.49 -4.23 -1.26 -4.84 115.64 113.96 1kfs s THR 485 Ca 0.61 -0.30 0.22 0.00 -1.18 0.00 0.00 61.69 61.04 1kfs s THR 485 Cb -0.11 -3.80 0.41 0.00 1.34 0.00 0.00 72.50 70.34 1kfs s THR 485 CO 0.25 -0.41 1.83 0.15 -0.54 0.00 0.00 174.62 175.90 1kfs h PHE 486 N 1.27 0.44 0.00 3.99 3.57 -1.87 -0.73 116.94 123.62 1kfs h PHE 486 Ca -0.49 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1kfs h PHE 486 Cb 1.20 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1kfs h PHE 486 CO 0.54 0.09 0.00 0.27 -2.23 0.00 0.00 178.31 176.97 1kfs n ASN 487 N -4.48 0.53 -0.17 0.41 0.23 -1.26 -2.14 115.26 108.38 1kfs n ASN 487 Ca 0.21 0.66 0.11 0.00 -0.53 0.00 0.00 54.58 55.03 1kfs n ASN 487 Cb 0.83 -0.76 0.03 0.00 -2.08 0.00 0.00 39.78 37.80 1kfs n ASN 487 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1kfs n GLN 488 N -2.11 0.44 -3.00 -3.83 6.02 -0.28 -1.03 117.38 113.59 1kfs n GLN 488 Ca 0.01 -0.34 -0.39 0.00 -0.01 0.00 0.00 57.00 56.27 1kfs n GLN 488 Cb 0.17 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 1kfs n GLN 488 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1kfs s ILE 489 N -2.80 4.48 0.46 5.09 1.01 -0.91 -4.80 121.20 123.73 1kfs s ILE 489 Ca 0.13 1.66 -0.24 0.00 0.00 0.00 0.00 60.65 62.20 1kfs s ILE 489 Cb 0.17 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 1kfs s ILE 489 CO 0.72 0.49 1.21 0.00 0.00 0.00 0.00 174.94 177.36 1kfs n ALA 490 N 1.90 1.04 -0.25 9.38 0.00 -1.26 -4.73 120.51 126.59 1kfs n ALA 490 Ca -0.05 0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 1kfs n ALA 490 Cb 0.49 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.70 1kfs n ALA 490 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1kfs h LEU 491 N 1.72 -1.38 -0.93 0.00 4.07 -1.96 0.09 115.31 116.92 1kfs h LEU 491 Ca -0.48 0.26 -0.09 0.00 0.08 0.00 0.00 57.88 57.65 1kfs h LEU 491 Cb 1.31 0.67 -0.02 0.00 1.08 0.00 0.00 40.66 43.70 1kfs h LEU 491 CO 0.58 -0.31 -0.17 -0.33 -1.08 0.00 0.00 178.44 177.13 1kfs h GLU 492 N -0.14 0.60 -0.20 1.13 4.39 -1.98 0.15 114.58 118.53 1kfs h GLU 492 Ca 0.24 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1kfs h GLU 492 Cb 0.56 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1kfs h GLU 492 CO -0.76 0.74 -0.14 0.93 -1.16 0.00 0.00 179.01 178.62 1kfs h GLU 493 N 0.54 0.45 -0.98 2.33 4.39 -1.76 -1.49 114.58 118.06 1kfs h GLU 493 Ca 0.09 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.60 1kfs h GLU 493 Cb 0.60 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 1kfs h GLU 493 CO 0.04 0.76 0.65 0.00 -1.16 0.00 0.00 179.01 179.30 1kfs h ALA 494 N 0.68 1.26 -0.14 3.43 0.00 -0.86 -2.61 119.26 121.02 1kfs h ALA 494 Ca 0.04 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1kfs h ALA 494 Cb 0.65 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1kfs h ALA 494 CO 0.04 0.60 -0.02 0.78 0.00 0.00 0.00 179.25 180.64 1kfs h GLY 495 N 1.30 0.12 0.43 0.00 0.00 -0.46 0.15 103.07 104.61 1kfs h GLY 495 Ca 0.37 0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.81 1kfs h GLY 495 CO -0.09 -0.05 0.06 3.21 0.00 0.00 0.00 176.54 179.68 1kfs h ARG 496 N 0.02 0.18 0.07 4.80 3.08 -0.90 0.55 114.38 122.18 1kfs h ARG 496 Ca 0.07 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1kfs h ARG 496 Cb 0.10 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1kfs h ARG 496 CO -0.14 0.12 -0.03 -0.92 -1.07 0.00 0.00 179.97 177.93 1kfs h TYR 497 N 0.19 -0.09 -0.22 3.04 3.20 -1.28 -2.43 116.97 119.38 1kfs h TYR 497 Ca 0.21 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1kfs h TYR 497 Cb 0.27 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1kfs h TYR 497 CO -0.22 0.17 -0.07 0.00 -1.64 0.00 0.00 178.16 176.39 1kfs h ALA 498 N 0.57 0.31 -0.32 1.82 0.00 -0.78 -2.14 119.26 118.70 1kfs h ALA 498 Ca -0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1kfs h ALA 498 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1kfs h ALA 498 CO 0.02 0.11 -0.23 0.00 0.00 0.00 0.00 179.25 179.15 1kfs h ALA 499 N 0.73 1.00 -0.73 0.00 0.00 -1.00 -2.72 119.26 116.54 1kfs h ALA 499 Ca 0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1kfs h ALA 499 Cb 0.54 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1kfs h ALA 499 CO 0.03 0.59 0.29 1.49 0.00 0.00 0.00 179.25 181.65 1kfs h GLU 500 N 0.55 1.09 -0.16 0.00 4.81 -1.40 -0.15 114.58 119.33 1kfs h GLU 500 Ca 0.08 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1kfs h GLU 500 Cb 0.69 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1kfs h GLU 500 CO 0.05 0.90 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.70 1kfs h ASP 501 N 1.05 -0.29 -0.43 1.04 3.32 -1.12 0.17 116.42 120.15 1kfs h ASP 501 Ca 0.24 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1kfs h ASP 501 Cb 0.21 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1kfs h ASP 501 CO -0.02 -0.12 0.24 0.00 -1.72 0.00 0.00 179.24 177.62 1kfs h ALA 502 N 1.05 0.56 0.49 3.45 0.00 -1.30 -0.62 119.26 122.89 1kfs h ALA 502 Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1kfs h ALA 502 Cb 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1kfs h ALA 502 CO -0.21 0.08 -0.24 0.22 0.00 0.00 0.00 179.25 179.10 1kfs h ASP 503 N 0.57 -0.56 -0.66 0.00 3.58 -0.64 -1.83 116.42 116.88 1kfs h ASP 503 Ca 0.15 -0.06 0.07 0.00 0.42 0.00 0.00 57.03 57.62 1kfs h ASP 503 Cb 0.05 0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.18 1kfs h ASP 503 CO -0.03 -0.27 0.34 0.58 -2.88 0.00 0.00 179.24 176.99 1kfs h VAL 504 N -0.84 0.91 -0.66 2.25 2.07 -0.71 -0.55 116.25 118.71 1kfs h VAL 504 Ca -0.07 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.31 1kfs h VAL 504 Cb 0.58 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1kfs h VAL 504 CO 0.11 0.11 0.35 0.74 0.02 0.00 0.00 177.57 178.90 1kfs h THR 505 N 0.62 0.93 -0.50 2.57 2.02 -0.92 0.21 112.91 117.84 1kfs h THR 505 Ca 0.31 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 67.14 1kfs h THR 505 Cb 0.26 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1kfs h THR 505 CO -0.22 0.12 -0.18 0.25 0.37 0.00 0.00 175.52 175.85 1kfs h LEU 506 N 0.64 1.03 -0.44 2.58 5.85 -0.53 -1.51 115.31 122.93 1kfs h LEU 506 Ca 0.30 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1kfs h LEU 506 Cb 0.23 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1kfs h LEU 506 CO -0.21 1.18 0.17 1.56 -0.34 0.00 0.00 178.44 180.80 1kfs h GLN 507 N 0.87 0.67 -0.89 1.25 4.20 -0.36 -1.39 115.11 119.46 1kfs h GLN 507 Ca 0.12 -0.13 0.05 0.00 0.06 0.00 0.00 58.65 58.75 1kfs h GLN 507 Cb 0.76 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.38 1kfs h GLN 507 CO 0.06 0.62 0.56 -0.07 -0.67 0.00 0.00 178.83 179.34 1kfs h LEU 508 N 0.57 0.92 -0.50 1.46 3.38 -0.47 -1.86 115.31 118.80 1kfs h LEU 508 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1kfs h LEU 508 Cb 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1kfs h LEU 508 CO -0.01 0.61 0.11 -0.74 0.09 0.00 0.00 178.44 178.50 1kfs h HIS 509 N 1.06 0.85 -0.17 1.13 2.76 -0.95 -0.04 115.15 119.80 1kfs h HIS 509 Ca 0.37 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 1kfs h HIS 509 Cb 0.08 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 1kfs h HIS 509 CO -0.02 0.77 0.08 -0.07 -1.30 0.00 0.00 177.93 177.38 1kfs h LEU 510 N 0.69 0.21 0.20 0.26 4.07 -0.51 0.22 115.31 120.45 1kfs h LEU 510 Ca 0.16 -0.01 -0.32 0.00 0.08 0.00 0.00 57.88 57.78 1kfs h LEU 510 Cb 0.35 -0.05 0.02 0.00 1.08 0.00 0.00 40.66 42.06 1kfs h LEU 510 CO 0.00 0.19 -1.54 0.11 -1.08 0.00 0.00 178.44 176.12 1kfs h LYS 511 N 0.24 0.42 0.19 1.13 1.57 -1.16 -3.39 116.57 115.57 1kfs h LYS 511 Ca 0.06 -0.71 -0.34 0.00 -1.87 0.00 0.00 60.65 57.79 1kfs h LYS 511 Cb 0.04 0.27 0.01 0.00 0.08 0.00 0.00 32.23 32.63 1kfs h LYS 511 CO -0.01 1.34 -1.66 0.52 -0.57 0.00 0.00 179.45 179.07 1kfs h MET 512 N 0.02 0.41 -0.51 3.15 2.86 -0.74 -3.33 114.93 116.79 1kfs h MET 512 Ca -0.30 -0.70 0.06 0.00 -2.06 0.00 0.00 59.70 56.71 1kfs h MET 512 Cb 2.04 0.26 -0.05 0.00 0.06 0.00 0.00 31.60 33.91 1kfs h MET 512 CO 0.19 1.32 0.21 2.35 1.06 0.00 0.00 176.91 182.04 1kfs h TRP 513 N 0.11 0.37 -0.58 -0.22 -0.00 -0.79 0.54 115.95 115.38 1kfs h TRP 513 Ca -0.31 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.63 1kfs h TRP 513 Cb 2.11 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 31.14 1kfs h TRP 513 CO 0.10 0.14 0.35 -1.35 -0.00 0.00 0.00 178.44 177.69 1kfs h PRO 514 N 0.40 0.68 -0.46 2.65 0.11 -1.75 -2.73 132.00 130.90 1kfs h PRO 514 Ca 0.24 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.33 1kfs h PRO 514 Cb 0.23 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 1kfs h PRO 514 CO -0.22 0.45 0.27 -0.44 -0.21 0.00 0.00 178.00 177.85 1kfs h ASP 515 N 0.70 0.42 0.00 -2.05 5.19 -1.51 -2.61 116.42 116.56 1kfs h ASP 515 Ca 0.23 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1kfs h ASP 515 Cb 0.01 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1kfs h ASP 515 CO -0.09 0.30 0.00 0.18 -3.12 0.00 0.00 179.24 176.51 1kfs n LEU 516 N -4.84 0.00 -0.00 1.55 4.77 0.12 -1.59 117.00 117.01 1kfs n LEU 516 Ca 0.03 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.08 1kfs n LEU 516 Cb 0.08 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1kfs n LEU 516 CO 0.32 0.00 -0.10 0.00 -1.33 0.00 0.00 177.39 176.28 1kfs n GLN 517 N -0.92 2.06 0.05 3.23 6.02 -0.98 -3.99 117.38 122.84 1kfs n GLN 517 Ca 0.00 -0.01 0.04 0.00 -0.01 0.00 0.00 57.00 57.02 1kfs n GLN 517 Cb 0.00 -1.20 0.21 0.00 1.02 0.00 0.00 30.24 30.27 1kfs n GLN 517 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1kfs n LYS 518 N -1.41 0.04 -3.66 -1.09 5.02 -0.62 -4.45 118.16 111.98 1kfs n LYS 518 Ca 0.02 0.49 -0.12 0.00 -2.02 0.00 0.00 58.31 56.68 1kfs n LYS 518 Cb 0.24 -1.63 -0.12 0.00 -0.02 0.00 0.00 35.03 33.50 1kfs n LYS 518 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1kfs s HIS 519 N -3.15 -0.55 0.46 2.13 3.76 -1.26 -5.03 115.29 111.65 1kfs s HIS 519 Ca 0.01 1.17 0.41 0.00 -0.15 0.00 0.00 55.06 56.49 1kfs s HIS 519 Cb 0.03 0.09 2.08 0.00 1.11 0.00 0.00 32.58 35.89 1kfs s HIS 519 CO 0.11 -0.40 2.23 0.87 -0.85 0.00 0.00 174.74 176.71 1kfs h LYS 520 N 8.20 0.00 0.29 1.40 1.79 -1.88 -2.82 116.57 123.55 1kfs h LYS 520 Ca -0.16 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.30 1kfs h LYS 520 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1kfs h LYS 520 CO 0.14 0.00 -0.14 0.78 -1.08 0.00 0.00 179.45 179.15 1kfs h GLY 521 N 0.60 -0.41 1.49 3.86 0.00 -1.87 -1.40 103.07 105.33 1kfs h GLY 521 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1kfs h GLY 521 CO 0.00 -0.15 0.34 -2.55 0.00 0.00 0.00 176.54 174.18 1kfs h PRO 522 N -0.52 0.69 -0.76 4.80 0.11 -1.57 -1.21 132.00 133.55 1kfs h PRO 522 Ca -0.04 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.03 1kfs h PRO 522 Cb 0.30 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.22 1kfs h PRO 522 CO 0.07 0.46 0.50 1.25 -0.21 0.00 0.00 178.00 180.07 1kfs h LEU 523 N 0.71 0.87 -0.42 2.35 7.12 -1.55 0.25 115.31 124.64 1kfs h LEU 523 Ca 0.19 -0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.15 1kfs h LEU 523 Cb -0.08 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 39.82 1kfs h LEU 523 CO -0.04 0.63 0.14 -1.13 -0.13 0.00 0.00 178.44 177.91 1kfs h ASN 524 N 1.03 0.60 -0.38 1.25 -1.24 -0.08 -1.01 115.58 115.75 1kfs h ASN 524 Ca 0.28 -0.19 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 1kfs h ASN 524 Cb -0.12 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.76 1kfs h ASN 524 CO -0.06 0.64 0.10 0.58 -1.29 0.00 0.00 177.43 177.40 1kfs h VAL 525 N 0.54 1.22 -0.02 2.57 2.07 -1.07 -1.02 116.25 120.55 1kfs h VAL 525 Ca 0.14 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1kfs h VAL 525 Cb 0.24 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1kfs h VAL 525 CO -0.01 0.26 0.01 0.15 0.02 0.00 0.00 177.57 178.00 1kfs h PHE 526 N 0.47 0.02 -0.23 1.57 3.57 -0.79 0.12 116.94 121.66 1kfs h PHE 526 Ca 0.12 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 1kfs h PHE 526 Cb 0.29 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1kfs h PHE 526 CO 0.01 0.03 -0.30 0.93 -2.23 0.00 0.00 178.31 176.76 1kfs h GLU 527 N 0.00 0.61 -0.00 1.11 5.08 -1.20 -0.27 114.58 119.92 1kfs h GLU 527 Ca 0.01 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1kfs h GLU 527 Cb 0.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1kfs h GLU 527 CO -0.00 0.95 -0.54 0.09 -1.00 0.00 0.00 179.01 178.51 1kfs n ASN 528 N -4.31 0.96 0.03 1.42 4.13 -0.39 -4.42 115.26 112.68 1kfs n ASN 528 Ca -0.05 -0.98 -0.02 0.00 1.68 0.00 0.00 54.58 55.22 1kfs n ASN 528 Cb 0.47 0.82 -0.01 0.00 -1.54 0.00 0.00 39.78 39.53 1kfs n ASN 528 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1kfs n ILE 529 N -0.93 1.17 0.04 2.41 5.41 -0.11 -4.72 119.36 122.62 1kfs n ILE 529 Ca 0.04 0.33 -0.13 0.00 1.00 0.00 0.00 62.75 63.99 1kfs n ILE 529 Cb 0.25 -1.68 -0.09 0.00 -0.71 0.00 0.00 39.64 37.41 1kfs n ILE 529 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1kfs h GLU 530 N -0.14 -0.12 -0.21 0.38 4.39 -0.88 -2.99 114.58 115.01 1kfs h GLU 530 Ca -0.01 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1kfs h GLU 530 Cb 0.24 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1kfs h GLU 530 CO -0.01 0.31 0.09 0.52 -1.16 0.00 0.00 179.01 178.76 1kfs h MET 531 N -0.59 0.32 0.00 2.33 2.86 -1.28 -2.67 114.93 115.90 1kfs h MET 531 Ca -0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1kfs h MET 531 Cb 0.48 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1kfs h MET 531 CO 0.02 0.37 -0.06 -1.35 1.06 0.00 0.00 176.91 176.95 1kfs h PRO 532 N 0.20 0.00 0.00 -0.22 0.11 -1.77 -2.12 132.00 128.19 1kfs h PRO 532 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1kfs h PRO 532 Cb 0.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1kfs h PRO 532 CO -0.01 0.06 0.00 1.25 -0.21 0.00 0.00 178.00 179.09 1kfs h LEU 533 N 0.00 0.00 0.17 2.35 5.85 -1.31 -3.35 115.31 119.02 1kfs h LEU 533 Ca -0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1kfs h LEU 533 Cb 0.18 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1kfs h LEU 533 CO 0.01 0.00 -0.41 0.58 -0.34 0.00 0.00 178.44 178.27 1kfs h VAL 534 N 0.00 0.17 0.00 1.05 2.07 -1.30 -1.29 116.25 116.95 1kfs h VAL 534 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1kfs h VAL 534 Cb 0.63 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1kfs h VAL 534 CO 0.00 0.00 -0.16 1.55 0.02 0.00 0.00 177.57 178.98 1kfs h PRO 535 N -0.68 0.00 -0.09 1.57 0.13 -1.78 -2.75 132.00 128.40 1kfs h PRO 535 Ca 0.01 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.96 1kfs h PRO 535 Cb 0.69 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 1kfs h PRO 535 CO -0.21 0.16 -0.72 -0.39 -0.23 0.00 0.00 178.00 176.61 1kfs h VAL 536 N 0.00 1.37 -0.52 1.56 -1.51 -1.61 -2.28 116.25 113.26 1kfs h VAL 536 Ca -0.00 -2.10 -0.10 0.00 -1.23 0.00 0.00 66.70 63.26 1kfs h VAL 536 Cb 0.63 2.08 -0.02 0.00 -2.13 0.00 0.00 31.29 31.86 1kfs h VAL 536 CO 0.02 0.64 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.84 1kfs h LEU 537 N 0.30 0.94 -0.22 4.19 3.38 -1.14 -1.12 115.31 121.64 1kfs h LEU 537 Ca -0.03 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.69 1kfs h LEU 537 Cb 1.30 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1kfs h LEU 537 CO 0.13 1.04 0.01 -1.28 0.09 0.00 0.00 178.44 178.43 1kfs h SER 538 N 0.85 -0.06 -0.53 -0.43 0.87 -1.38 -0.83 113.55 112.04 1kfs h SER 538 Ca 0.14 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1kfs h SER 538 Cb 0.62 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 1kfs h SER 538 CO 0.04 -0.00 0.15 0.03 -0.53 0.00 0.00 176.83 176.52 1kfs h ARG 539 N 0.09 0.88 -0.12 2.24 3.08 -1.17 -1.00 114.38 118.38 1kfs h ARG 539 Ca 0.10 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1kfs h ARG 539 Cb 0.12 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1kfs h ARG 539 CO -0.17 0.78 -0.06 0.82 -1.07 0.00 0.00 179.97 180.28 1kfs h ILE 540 N 0.85 1.32 -0.44 2.04 2.04 -0.99 -1.38 117.51 120.95 1kfs h ILE 540 Ca 0.19 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 1kfs h ILE 540 Cb 0.29 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1kfs h ILE 540 CO -0.00 0.31 0.27 -0.33 0.00 0.00 0.00 178.15 178.40 1kfs h GLU 541 N -0.09 0.59 0.00 2.37 5.08 -1.06 -2.45 114.58 119.02 1kfs h GLU 541 Ca 0.03 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1kfs h GLU 541 Cb 0.52 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1kfs h GLU 541 CO 0.02 0.43 -0.41 0.00 -1.00 0.00 0.00 179.01 178.04 1kfs h ARG 542 N 0.58 0.00 -0.26 2.33 3.08 -1.19 -3.02 114.38 115.89 1kfs h ARG 542 Ca 0.16 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 1kfs h ARG 542 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1kfs h ARG 542 CO -0.03 0.41 0.02 -0.91 -1.07 0.00 0.00 179.97 178.40 1kfs h ASN 543 N 0.00 0.44 -3.43 7.04 -0.26 -0.90 -3.49 115.58 114.98 1kfs h ASN 543 Ca -0.00 -0.28 0.07 0.00 -0.56 0.00 0.00 56.30 55.52 1kfs h ASN 543 Cb 0.83 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.95 1kfs h ASN 543 CO 0.05 0.61 -0.09 0.61 -1.06 0.00 0.00 177.43 177.55 1kfs n GLY 544 N -0.40 -1.96 2.90 2.83 0.00 -0.95 -4.93 105.19 102.68 1kfs n GLY 544 Ca -0.03 -1.36 -0.17 0.00 0.00 0.00 0.00 46.02 44.46 1kfs n GLY 544 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfs s VAL 545 N -0.74 0.39 -0.19 1.61 0.11 0.47 -4.77 120.40 117.28 1kfs s VAL 545 Ca 0.00 -0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 58.64 1kfs s VAL 545 Cb 0.00 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 1kfs s VAL 545 CO 0.00 0.16 1.35 -0.75 -3.33 0.00 0.00 175.10 172.53 1kfs s LYS 546 N 0.47 4.11 -0.11 1.54 2.36 -1.26 -1.32 119.74 125.53 1kfs s LYS 546 Ca -0.05 1.63 0.02 0.00 -2.55 0.00 0.00 55.97 55.02 1kfs s LYS 546 Cb -0.09 -3.85 -0.01 0.00 -1.05 0.00 0.00 37.83 32.84 1kfs s LYS 546 CO -0.00 -0.88 -0.17 0.42 1.55 0.00 0.00 175.35 176.26 1kfs s ILE 547 N 3.94 2.68 -0.48 5.43 1.01 -1.26 -0.74 121.20 131.78 1kfs s ILE 547 Ca 0.59 -0.81 -0.24 0.00 0.00 0.00 0.00 60.65 60.19 1kfs s ILE 547 Cb -0.22 -2.08 0.03 0.00 0.01 0.00 0.00 42.46 40.20 1kfs s ILE 547 CO 0.20 0.55 0.86 -0.62 0.00 0.00 0.00 174.94 175.92 1kfs s ASP 548 N 0.18 6.41 0.46 3.58 -1.08 0.28 -4.93 116.67 121.57 1kfs s ASP 548 Ca -0.10 -0.14 0.24 0.00 -0.52 0.00 0.00 52.55 52.03 1kfs s ASP 548 Cb -0.16 -2.41 1.07 0.00 -1.46 0.00 0.00 42.92 39.96 1kfs s ASP 548 CO 0.06 -1.04 1.90 1.55 0.52 0.00 0.00 175.17 178.16 1kfs h PRO 549 N 9.10 0.00 0.04 4.34 0.13 -1.97 -2.92 132.00 140.71 1kfs h PRO 549 Ca -0.25 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1kfs h PRO 549 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1kfs h PRO 549 CO 1.01 0.22 -0.02 0.87 -0.23 0.00 0.00 178.00 179.85 1kfs h LYS 550 N 0.00 -0.05 -0.41 0.86 1.57 -1.99 -0.35 116.57 116.21 1kfs h LYS 550 Ca -0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1kfs h LYS 550 Cb 0.62 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 1kfs h LYS 550 CO 0.03 0.18 0.06 0.28 -0.57 0.00 0.00 179.45 179.44 1kfs h VAL 551 N -0.28 0.76 -0.64 0.50 2.07 -1.96 0.21 116.25 116.91 1kfs h VAL 551 Ca -0.01 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1kfs h VAL 551 Cb 0.25 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1kfs h VAL 551 CO 0.01 0.03 0.28 -0.07 0.02 0.00 0.00 177.57 177.84 1kfs h LEU 552 N 0.19 0.84 -0.21 2.57 4.07 -1.36 -1.31 115.31 120.10 1kfs h LEU 552 Ca 0.20 -0.10 -0.05 0.00 0.08 0.00 0.00 57.88 58.00 1kfs h LEU 552 Cb 0.25 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1kfs h LEU 552 CO -0.28 0.74 -0.07 -0.74 -1.08 0.00 0.00 178.44 177.01 1kfs h HIS 553 N 0.92 0.47 -0.54 1.13 2.76 -0.23 -1.17 115.15 118.50 1kfs h HIS 553 Ca 0.22 -0.11 -0.04 0.00 -2.20 0.00 0.00 60.37 58.24 1kfs h HIS 553 Cb 0.15 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 1kfs h HIS 553 CO 0.01 0.68 0.17 -0.91 -1.30 0.00 0.00 177.93 176.58 1kfs h ASN 554 N 0.13 0.75 -0.65 3.26 2.35 -0.83 -1.14 115.58 119.46 1kfs h ASN 554 Ca 0.05 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 1kfs h ASN 554 Cb 0.54 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1kfs h ASN 554 CO 0.02 0.71 0.22 -0.74 -1.65 0.00 0.00 177.43 176.00 1kfs h HIS 555 N 0.79 1.04 -0.07 1.19 2.76 -1.09 -0.58 115.15 119.19 1kfs h HIS 555 Ca 0.18 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1kfs h HIS 555 Cb 0.23 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 1kfs h HIS 555 CO 0.01 0.82 0.01 1.03 -1.30 0.00 0.00 177.93 178.50 1kfs h SER 556 N 0.98 0.11 -0.52 3.26 0.87 -0.25 -1.12 113.55 116.88 1kfs h SER 556 Ca 0.22 -0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1kfs h SER 556 Cb 0.26 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1kfs h SER 556 CO -0.01 0.34 0.29 -0.33 -0.53 0.00 0.00 176.83 176.59 1kfs h GLU 557 N -0.13 0.56 -0.28 2.24 4.39 -1.06 -1.39 114.58 118.90 1kfs h GLU 557 Ca 0.02 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1kfs h GLU 557 Cb 0.28 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1kfs h GLU 557 CO 0.00 0.37 -0.07 1.49 -1.16 0.00 0.00 179.01 179.64 1kfs h GLU 558 N 0.58 0.45 0.00 2.33 4.81 -0.97 -2.18 114.58 119.60 1kfs h GLU 558 Ca 0.22 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1kfs h GLU 558 Cb 0.07 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1kfs h GLU 558 CO -0.12 0.54 -0.40 -0.07 -0.73 0.00 0.00 179.01 178.23 1kfs h LEU 559 N 0.43 0.00 -0.19 1.64 3.38 -0.62 0.23 115.31 120.17 1kfs h LEU 559 Ca 0.09 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1kfs h LEU 559 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1kfs h LEU 559 CO 0.02 0.40 -0.41 0.74 0.09 0.00 0.00 178.44 179.28 1kfs h THR 560 N 0.00 1.33 -0.04 0.22 2.02 -0.68 -0.44 112.91 115.31 1kfs h THR 560 Ca -0.00 -1.64 -0.00 0.00 0.77 0.00 0.00 66.41 65.53 1kfs h THR 560 Cb 0.99 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1kfs h THR 560 CO 0.05 0.51 0.01 -0.07 0.37 0.00 0.00 175.52 176.39 1kfs h LEU 561 N 0.29 0.07 -1.45 2.58 3.38 -1.28 -1.83 115.31 117.07 1kfs h LEU 561 Ca 0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1kfs h LEU 561 Cb 1.01 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1kfs h LEU 561 CO 0.09 0.28 0.29 0.03 0.09 0.00 0.00 178.44 179.22 1kfs h ARG 562 N -0.15 0.66 -0.13 1.13 3.08 -0.96 -0.39 114.38 117.63 1kfs h ARG 562 Ca 0.01 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 1kfs h ARG 562 Cb 0.24 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1kfs h ARG 562 CO 0.00 0.47 -0.67 -0.07 -1.07 0.00 0.00 179.97 178.63 1kfs h LEU 563 N 0.68 0.62 -0.33 3.04 3.38 -0.99 -1.80 115.31 119.92 1kfs h LEU 563 Ca 0.18 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1kfs h LEU 563 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1kfs h LEU 563 CO -0.03 1.12 0.09 0.00 0.09 0.00 0.00 178.44 179.71 1kfs h ALA 564 N 0.88 0.43 -0.65 1.53 0.00 -0.50 -1.98 119.26 118.96 1kfs h ALA 564 Ca -0.02 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1kfs h ALA 564 Cb 1.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1kfs h ALA 564 CO 0.12 0.08 0.43 0.93 0.00 0.00 0.00 179.25 180.82 1kfs h GLU 565 N 0.37 0.85 -0.22 0.00 4.39 -1.04 -1.95 114.58 116.97 1kfs h GLU 565 Ca 0.10 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 1kfs h GLU 565 Cb 0.28 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1kfs h GLU 565 CO -0.00 0.56 -0.28 -0.07 -1.16 0.00 0.00 179.01 178.06 1kfs h LEU 566 N 0.87 0.44 -0.52 1.33 3.38 -1.25 0.20 115.31 119.77 1kfs h LEU 566 Ca 0.24 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1kfs h LEU 566 Cb -0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1kfs h LEU 566 CO -0.06 0.71 0.07 -0.08 0.09 0.00 0.00 178.44 179.18 1kfs h GLU 567 N 0.38 0.87 -0.24 1.13 4.81 -1.00 -0.49 114.58 120.06 1kfs h GLU 567 Ca 0.05 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 58.99 1kfs h GLU 567 Cb 0.69 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1kfs h GLU 567 CO 0.05 0.87 -0.05 0.87 -0.73 0.00 0.00 179.01 180.02 1kfs h LYS 568 N 0.75 0.46 -0.27 1.92 1.57 -1.03 -1.36 116.57 118.62 1kfs h LYS 568 Ca 0.16 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1kfs h LYS 568 Cb 0.43 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1kfs h LYS 568 CO 0.01 0.68 0.18 0.87 -0.57 0.00 0.00 179.45 180.62 1kfs h LYS 569 N 0.20 0.26 -0.01 3.15 1.57 -0.40 -0.60 116.57 120.74 1kfs h LYS 569 Ca 0.06 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1kfs h LYS 569 Cb 0.51 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1kfs h LYS 569 CO 0.02 0.17 -0.10 0.00 -0.57 0.00 0.00 179.45 178.97 1kfs h ALA 570 N 1.85 0.03 -0.87 3.86 0.00 -0.88 -2.42 119.26 120.83 1kfs h ALA 570 Ca 0.11 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1kfs h ALA 570 Cb 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 1kfs h ALA 570 CO -0.02 -0.04 0.53 0.45 0.00 0.00 0.00 179.25 180.17 1kfs h HIS 571 N -0.59 0.98 -0.02 0.00 3.86 -0.91 -2.30 115.15 116.17 1kfs h HIS 571 Ca -0.01 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 1kfs h HIS 571 Cb 0.82 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 1kfs h HIS 571 CO 0.17 0.47 -0.49 1.49 0.86 0.00 0.00 177.93 180.43 1kfs h GLU 572 N 0.95 0.05 0.00 2.45 4.81 -1.15 -2.96 114.58 118.72 1kfs h GLU 572 Ca 0.39 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.49 1kfs h GLU 572 Cb 0.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1kfs h GLU 572 CO -0.20 0.53 -0.53 0.82 -0.73 0.00 0.00 179.01 178.91 1kfs h ILE 573 N 0.04 1.12 -0.22 2.32 2.04 -0.89 -3.45 117.51 118.47 1kfs h ILE 573 Ca -0.00 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.87 1kfs h ILE 573 Cb 0.89 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1kfs h ILE 573 CO 0.07 0.52 0.00 0.00 0.00 0.00 0.00 178.15 178.73 1kfs n ALA 574 N -2.32 0.00 -2.95 1.87 0.00 -0.99 -5.04 120.51 111.08 1kfs n ALA 574 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1kfs n ALA 574 Cb 0.62 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.95 1kfs n ALA 574 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1kfs s GLY 575 N 0.00 0.25 0.16 0.00 0.00 -1.20 -4.94 107.32 101.59 1kfs s GLY 575 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1kfs s GLY 575 CO 0.00 -0.60 0.00 -1.84 0.00 0.00 0.00 173.10 170.66 1kfs n GLU 576 N 1.78 -1.43 -3.58 2.90 0.28 -1.26 -4.90 120.64 114.44 1kfs n GLU 576 Ca -0.22 0.94 -0.24 0.00 -0.16 0.00 0.00 57.16 57.47 1kfs n GLU 576 Cb 0.56 -1.74 -0.02 0.00 1.43 0.00 0.00 31.44 31.67 1kfs n GLU 576 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1kfs s GLU 577 N -1.25 3.49 -0.23 3.44 8.01 -1.26 -4.66 118.70 126.24 1kfs s GLU 577 Ca 0.00 -0.42 -0.30 0.00 0.01 0.00 0.00 54.97 54.27 1kfs s GLU 577 Cb 0.00 -2.75 0.16 0.00 -4.31 0.00 0.00 34.13 27.23 1kfs s GLU 577 CO 0.00 0.27 1.20 -0.59 0.01 0.00 0.00 175.26 176.15 1kfs s PHE 578 N -2.14 -0.18 0.78 1.61 -0.71 -1.26 -5.13 117.98 110.95 1kfs s PHE 578 Ca 0.38 0.30 -0.11 0.00 -1.04 0.00 0.00 56.93 56.46 1kfs s PHE 578 Cb -0.10 0.48 0.06 0.00 -1.21 0.00 0.00 43.02 42.25 1kfs s PHE 578 CO 0.33 -0.17 1.08 -0.80 -1.34 0.00 0.00 175.22 174.32 1kfs s ASN 579 N -1.12 4.61 -0.66 1.98 0.01 -1.26 -4.95 114.94 113.56 1kfs s ASN 579 Ca 0.04 1.55 -0.02 0.00 -0.71 0.00 0.00 52.86 53.73 1kfs s ASN 579 Cb -0.01 -2.32 0.38 0.00 0.41 0.00 0.00 41.25 39.71 1kfs s ASN 579 CO -0.04 -1.93 2.07 0.18 -1.51 0.00 0.00 177.10 175.88 1kfs n LEU 580 N -3.43 7.46 -4.39 0.60 7.99 -1.26 -4.67 117.00 119.30 1kfs n LEU 580 Ca 0.08 -4.28 -0.35 0.00 -0.01 0.00 0.00 56.01 51.45 1kfs n LEU 580 Cb 0.54 -1.02 -0.13 0.00 -0.11 0.00 0.00 43.42 42.70 1kfs n LEU 580 CO 0.55 1.52 -0.35 -0.94 -1.51 0.00 0.00 177.39 176.66 1kfs s SER 581 N -1.30 4.65 1.12 -1.43 1.04 -1.26 -4.96 113.70 111.56 1kfs s SER 581 Ca 0.58 -0.28 -0.17 0.00 0.48 0.00 0.00 55.95 56.56 1kfs s SER 581 Cb 0.46 -1.80 0.25 0.00 0.10 0.00 0.00 66.02 65.02 1kfs s SER 581 CO -0.11 0.02 1.12 -0.94 0.98 0.00 0.00 173.24 174.30 1kfs s SER 582 N 1.27 1.64 -0.67 7.02 1.04 -1.26 -2.03 113.70 120.71 1kfs s SER 582 Ca 0.04 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1kfs s SER 582 Cb -0.15 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.79 1kfs s SER 582 CO 0.00 -3.69 0.00 0.35 0.98 0.00 0.00 173.24 170.88 1kfs n THR 583 N -4.50 -0.25 0.02 2.02 -2.24 -1.26 -4.46 114.28 103.61 1kfs n THR 583 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1kfs n THR 583 Cb 0.59 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1kfs n THR 583 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kfs n LYS 584 N -2.36 0.00 -0.05 -0.78 4.76 -1.24 -5.02 118.16 113.47 1kfs n LYS 584 Ca -0.08 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.31 1kfs n LYS 584 Cb 0.48 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.58 1kfs n LYS 584 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1kfs n GLN 585 N -2.61 2.10 -0.00 1.97 1.13 -0.86 -4.70 117.38 114.40 1kfs n GLN 585 Ca 0.00 -0.01 -0.18 0.00 -1.94 0.00 0.00 57.00 54.87 1kfs n GLN 585 Cb 0.00 -1.29 -0.09 0.00 0.11 0.00 0.00 30.24 28.97 1kfs n GLN 585 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1kfs h LEU 586 N 0.00 0.76 -1.60 1.08 3.38 -1.79 -3.22 115.31 113.92 1kfs h LEU 586 Ca -0.29 -0.68 -0.02 0.00 0.09 0.00 0.00 57.88 56.98 1kfs h LEU 586 Cb 1.63 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1kfs h LEU 586 CO 0.02 1.33 0.08 0.06 0.09 0.00 0.00 178.44 180.02 1kfs h GLN 587 N 0.26 0.34 0.00 1.13 3.07 -1.87 0.24 115.11 118.29 1kfs h GLN 587 Ca -0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 1kfs h GLN 587 Cb 1.38 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.87 1kfs h GLN 587 CO 0.15 0.30 -0.04 1.79 0.09 0.00 0.00 178.83 181.12 1kfs h THR 588 N 0.34 0.10 0.00 1.86 1.35 -1.84 -2.76 112.91 111.97 1kfs h THR 588 Ca 0.09 -0.73 -0.02 0.00 -0.55 0.00 0.00 66.41 65.20 1kfs h THR 588 Cb 0.10 1.66 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1kfs h THR 588 CO -0.01 0.04 -0.95 -0.38 -0.25 0.00 0.00 175.52 173.98 1kfs n ILE 589 N -3.14 1.47 -0.10 6.82 2.08 -0.83 -4.11 119.36 121.55 1kfs n ILE 589 Ca 0.01 0.15 -0.06 0.00 0.56 0.00 0.00 62.75 63.41 1kfs n ILE 589 Cb 0.38 -2.25 -0.00 0.00 -0.75 0.00 0.00 39.64 37.02 1kfs n ILE 589 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1kfs h LEU 590 N -0.89 -0.75 0.00 1.39 3.38 -0.68 -2.07 115.31 115.70 1kfs h LEU 590 Ca -0.02 0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 1kfs h LEU 590 Cb 0.91 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1kfs h LEU 590 CO -0.01 -0.25 -1.30 -0.26 0.09 0.00 0.00 178.44 176.70 1kfs h PHE 591 N -0.17 0.00 0.00 1.13 0.04 -1.66 -3.29 116.94 112.98 1kfs h PHE 591 Ca 0.18 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 1kfs h PHE 591 Cb 0.45 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 1kfs h PHE 591 CO -0.44 0.75 -0.20 1.49 -0.60 0.00 0.00 178.31 179.31 1kfs h GLU 592 N 0.00 0.00 -0.66 1.51 4.22 -1.57 -2.44 114.58 115.64 1kfs h GLU 592 Ca -0.15 0.00 -0.24 0.00 0.08 0.00 0.00 59.36 59.05 1kfs h GLU 592 Cb 1.71 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.82 1kfs h GLU 592 CO 0.07 0.20 0.25 0.36 -2.18 0.00 0.00 179.01 177.71 1kfs n LYS 593 N -3.98 3.01 -0.04 1.92 2.85 -0.79 -5.01 118.16 116.12 1kfs n LYS 593 Ca -0.02 -3.07 0.00 0.00 -1.05 0.00 0.00 58.31 54.17 1kfs n LYS 593 Cb 0.28 -2.09 0.00 0.00 -0.65 0.00 0.00 35.03 32.57 1kfs n LYS 593 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1kfs n GLN 594 N -0.57 0.00 0.00 -1.58 7.27 -0.92 -5.03 117.38 116.55 1kfs n GLN 594 Ca 0.41 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.52 1kfs n GLN 594 Cb 1.32 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.97 1kfs n GLN 594 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1kfs n GLY 595 N 1.83 4.43 3.68 1.69 0.00 -1.26 -4.46 105.19 111.11 1kfs n GLY 595 Ca 0.00 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1kfs n GLY 595 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kfs s ILE 596 N -1.59 3.94 0.08 -0.61 1.01 -1.26 -4.61 121.20 118.16 1kfs s ILE 596 Ca 0.00 1.27 0.05 0.00 0.00 0.00 0.00 60.65 61.97 1kfs s ILE 596 Cb 0.00 -3.82 0.08 0.00 0.01 0.00 0.00 42.46 38.73 1kfs s ILE 596 CO 0.00 -0.02 0.35 2.29 0.00 0.00 0.00 174.94 177.56 1kfs n LYS 597 N 5.55 -0.01 -1.85 2.79 2.85 -1.26 -4.75 118.16 121.48 1kfs n LYS 597 Ca 0.13 0.31 -0.42 0.00 -1.05 0.00 0.00 58.31 57.28 1kfs n LYS 597 Cb 0.44 -0.56 -0.03 0.00 -0.65 0.00 0.00 35.03 34.24 1kfs n LYS 597 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 1kfs s PRO 598 N -4.36 4.17 0.83 -1.58 0.02 -1.26 -5.01 135.00 127.82 1kfs s PRO 598 Ca -0.02 2.42 -0.12 0.00 0.02 0.00 0.00 61.00 63.31 1kfs s PRO 598 Cb 0.08 -3.67 0.09 0.00 0.02 0.00 0.00 34.50 31.01 1kfs s PRO 598 CO 0.18 -0.79 1.13 -0.48 -0.33 0.00 0.00 177.00 176.70 1kfs s LEU 599 N 2.93 2.39 -0.37 -5.54 -0.00 -1.26 -4.93 118.68 111.90 1kfs s LEU 599 Ca 0.77 1.06 -0.14 0.00 -0.00 0.00 0.00 54.13 55.83 1kfs s LEU 599 Cb -0.41 -3.56 -0.00 0.00 -0.00 0.00 0.00 46.19 42.21 1kfs s LEU 599 CO 0.34 -2.11 0.26 -0.54 -0.00 0.00 0.00 176.35 174.30 1kfs s LYS 600 N -5.30 3.29 0.11 1.48 1.02 -1.26 -4.74 119.74 114.33 1kfs s LYS 600 Ca 0.62 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 1kfs s LYS 600 Cb -0.14 -3.86 -0.06 0.00 -0.52 0.00 0.00 37.83 33.25 1kfs s LYS 600 CO 0.53 -0.56 1.15 0.15 -0.92 0.00 0.00 175.35 175.69 1kfs s LYS 601 N 1.70 4.50 -0.07 1.68 -0.14 -1.26 -4.91 119.74 121.25 1kfs s LYS 601 Ca 0.06 1.74 -0.03 0.00 -1.36 0.00 0.00 55.97 56.37 1kfs s LYS 601 Cb -0.18 -3.32 -0.07 0.00 -1.68 0.00 0.00 37.83 32.58 1kfs s LYS 601 CO 0.10 -0.11 2.66 -2.37 -0.76 0.00 0.00 175.35 174.87 1kfs n THR 602 N 3.26 2.55 0.00 2.17 5.66 -1.26 -4.34 114.28 122.32 1kfs n THR 602 Ca 0.06 -1.17 0.00 0.00 -3.05 0.00 0.00 64.05 59.89 1kfs n THR 602 Cb 0.46 -1.67 0.00 0.00 -1.55 0.00 0.00 70.33 67.57 1kfs n THR 602 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1kfs n PRO 607 N 1.71 0.00 0.34 1.09 -0.04 -1.26 -4.88 135.00 131.96 1kfs n PRO 607 Ca 0.23 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.55 1kfs n PRO 607 Cb 0.67 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.06 1kfs n PRO 607 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1kfs h SER 608 N 0.00 -0.75 -0.22 3.54 4.64 -1.89 -2.77 113.55 116.10 1kfs h SER 608 Ca 0.00 0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.23 1kfs h SER 608 Cb 0.00 0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 62.22 1kfs h SER 608 CO 0.00 -0.48 0.15 0.35 -0.87 0.00 0.00 176.83 175.98 1kfs n THR 609 N -4.67 1.59 0.00 2.95 -2.24 -1.26 -3.51 114.28 107.14 1kfs n THR 609 Ca -0.11 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1kfs n THR 609 Cb 0.35 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1kfs n THR 609 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1kfs n SER 610 N 0.24 2.05 -2.78 3.42 7.64 -1.22 -4.88 113.62 118.09 1kfs n SER 610 Ca 0.13 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.92 1kfs n SER 610 Cb 0.73 0.24 0.04 0.00 -1.01 0.00 0.00 64.21 64.21 1kfs n SER 610 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1kfs n GLU 611 N -1.04 0.75 -2.86 1.43 1.02 -1.05 -4.70 120.64 114.19 1kfs n GLU 611 Ca 0.00 -1.86 -0.43 0.00 -0.02 0.00 0.00 57.16 54.84 1kfs n GLU 611 Cb 0.17 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 1kfs n GLU 611 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1kfs s GLU 612 N 0.58 3.71 0.29 3.49 -6.30 -1.23 -4.69 118.70 114.56 1kfs s GLU 612 Ca 0.32 -1.84 0.01 0.00 -2.50 0.00 0.00 54.97 50.96 1kfs s GLU 612 Cb 0.21 -5.04 0.71 0.00 0.00 0.00 0.00 34.13 30.01 1kfs s GLU 612 CO -0.23 -1.86 1.60 0.28 0.02 0.00 0.00 175.26 175.08 1kfs h VAL 613 N 5.74 0.16 -0.47 3.70 2.07 -1.91 -1.80 116.25 123.73 1kfs h VAL 613 Ca 0.21 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 1kfs h VAL 613 Cb 0.99 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1kfs h VAL 613 CO 1.20 0.01 0.29 -0.07 0.02 0.00 0.00 177.57 179.02 1kfs h LEU 614 N 0.08 0.56 -0.98 2.57 3.38 -1.91 -2.99 115.31 116.03 1kfs h LEU 614 Ca 0.56 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1kfs h LEU 614 Cb 1.16 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1kfs h LEU 614 CO -0.80 0.45 0.00 1.05 0.09 0.00 0.00 178.44 179.23 1kfs h GLU 615 N 0.63 0.00 0.41 1.13 4.11 -1.63 -2.31 114.58 116.92 1kfs h GLU 615 Ca 0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.58 1kfs h GLU 615 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1kfs h GLU 615 CO -0.03 0.00 -0.20 0.93 0.07 0.00 0.00 179.01 179.78 1kfs h GLU 616 N 0.00 -0.53 -1.12 1.06 3.07 -1.46 -3.17 114.58 112.44 1kfs h GLU 616 Ca 0.00 0.04 0.33 0.00 -0.50 0.00 0.00 59.36 59.23 1kfs h GLU 616 Cb 0.57 0.12 -0.12 0.00 -0.84 0.00 0.00 28.75 28.48 1kfs h GLU 616 CO 0.00 -0.28 0.70 -0.07 -1.40 0.00 0.00 179.01 177.96 1kfs h LEU 617 N -1.09 0.41 -1.93 1.33 3.38 -1.45 -1.25 115.31 114.71 1kfs h LEU 617 Ca -0.06 0.13 0.31 0.00 0.09 0.00 0.00 57.88 58.35 1kfs h LEU 617 Cb 0.49 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1kfs h LEU 617 CO 0.09 -0.06 0.82 0.00 0.09 0.00 0.00 178.44 179.38 1kfs h ALA 618 N 1.68 2.96 0.00 1.53 0.00 -1.38 0.51 119.26 124.55 1kfs h ALA 618 Ca 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1kfs h ALA 618 Cb 1.88 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1kfs h ALA 618 CO -0.42 -1.36 0.00 1.28 0.00 0.00 0.00 179.25 178.75 1kfs n LEU 619 N -4.04 0.37 0.00 0.00 7.99 -0.47 -4.32 117.00 116.52 1kfs n LEU 619 Ca 0.22 0.60 0.00 0.00 -0.01 0.00 0.00 56.01 56.83 1kfs n LEU 619 Cb 1.17 -0.57 0.00 0.00 -0.11 0.00 0.00 43.42 43.91 1kfs n LEU 619 CO 0.37 -0.48 0.00 -0.90 -1.51 0.00 0.00 177.39 174.87 1kfs n ASP 620 N -1.92 0.00 -4.66 -1.43 5.68 -0.37 -5.09 116.55 108.77 1kfs n ASP 620 Ca 0.02 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 53.88 1kfs n ASP 620 Cb 0.17 0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.21 1kfs n ASP 620 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1kfs s TYR 621 N -1.76 3.05 0.22 2.11 1.51 0.16 -4.97 117.35 117.68 1kfs s TYR 621 Ca 0.00 1.19 0.07 0.00 -1.01 0.00 0.00 57.07 57.33 1kfs s TYR 621 Cb 0.00 -3.46 0.17 0.00 -0.11 0.00 0.00 41.96 38.56 1kfs s TYR 621 CO 0.00 -1.15 1.50 -1.00 -1.11 0.00 0.00 175.55 173.80 1kfs h PRO 622 N 7.98 0.07 0.57 -1.71 0.13 -1.86 -3.33 132.00 133.86 1kfs h PRO 622 Ca -0.23 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1kfs h PRO 622 Cb 1.08 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.23 1kfs h PRO 622 CO 0.98 0.77 -0.28 1.25 -0.23 0.00 0.00 178.00 180.50 1kfs h LEU 623 N 0.05 -0.65 -2.05 1.56 5.85 -1.96 -2.22 115.31 115.89 1kfs h LEU 623 Ca -0.01 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.80 1kfs h LEU 623 Cb 1.29 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 1kfs h LEU 623 CO 0.10 -0.40 0.29 1.55 -0.34 0.00 0.00 178.44 179.65 1kfs h PRO 624 N -0.88 0.00 -0.27 5.25 0.13 -1.87 -1.42 132.00 132.94 1kfs h PRO 624 Ca -0.08 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.98 1kfs h PRO 624 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1kfs h PRO 624 CO 0.13 0.00 -0.10 -0.22 -0.23 0.00 0.00 178.00 177.58 1kfs h LYS 625 N 0.00 0.55 0.00 0.86 3.64 -1.60 -1.64 116.57 118.38 1kfs h LYS 625 Ca 0.17 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1kfs h LYS 625 Cb 0.76 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1kfs h LYS 625 CO -0.00 0.78 -0.18 -0.39 -2.27 0.00 0.00 179.45 177.39 1kfs h VAL 626 N 0.29 0.33 0.10 2.00 -1.51 -0.68 -1.70 116.25 115.10 1kfs h VAL 626 Ca 0.06 -1.35 -0.26 0.00 -1.23 0.00 0.00 66.70 63.92 1kfs h VAL 626 Cb 0.60 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 1kfs h VAL 626 CO 0.03 0.18 -1.18 0.40 -1.23 0.00 0.00 177.57 175.78 1kfs h ILE 627 N 0.00 1.49 0.22 7.19 2.04 -1.33 -2.41 117.51 124.71 1kfs h ILE 627 Ca -0.00 -2.97 -0.01 0.00 1.00 0.00 0.00 64.86 62.88 1kfs h ILE 627 Cb 1.05 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1kfs h ILE 627 CO 0.02 0.87 -0.10 0.25 0.00 0.00 0.00 178.15 179.19 1kfs h LEU 628 N 0.10 -0.25 -2.34 1.44 5.85 -1.22 -2.41 115.31 116.47 1kfs h LEU 628 Ca -0.12 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1kfs h LEU 628 Cb 1.89 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.98 1kfs h LEU 628 CO 0.19 0.14 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.33 1kfs h GLU 629 N -0.68 0.00 0.13 1.25 4.22 -1.40 -2.65 114.58 115.46 1kfs h GLU 629 Ca -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 1kfs h GLU 629 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1kfs h GLU 629 CO 0.05 0.03 -0.06 -0.92 -2.18 0.00 0.00 179.01 175.92 1kfs h TYR 630 N 0.00 -0.16 -0.64 0.92 3.20 -1.33 -3.05 116.97 115.91 1kfs h TYR 630 Ca -0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1kfs h TYR 630 Cb 0.20 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 1kfs h TYR 630 CO 0.00 0.24 0.36 0.00 -1.64 0.00 0.00 178.16 177.12 1kfs h ARG 631 N -0.94 0.65 -0.75 1.82 3.08 -1.26 -0.18 114.38 116.79 1kfs h ARG 631 Ca -0.02 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1kfs h ARG 631 Cb 0.48 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1kfs h ARG 631 CO 0.03 0.43 0.49 0.78 -1.07 0.00 0.00 179.97 180.63 1kfs h GLY 632 N 0.67 1.08 1.10 0.04 0.00 -1.61 -0.75 103.07 103.60 1kfs h GLY 632 Ca 0.28 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 1kfs h GLY 632 CO -0.17 0.34 -0.26 1.41 0.00 0.00 0.00 176.54 177.86 1kfs h LEU 633 N 0.97 1.00 -0.62 3.11 3.38 -1.29 -2.58 115.31 119.29 1kfs h LEU 633 Ca 0.29 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1kfs h LEU 633 Cb -0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1kfs h LEU 633 CO -0.09 1.20 0.14 0.00 0.09 0.00 0.00 178.44 179.78 1kfs h ALA 634 N 0.83 0.82 -0.44 1.53 0.00 -0.66 -1.92 119.26 119.42 1kfs h ALA 634 Ca 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1kfs h ALA 634 Cb 0.85 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1kfs h ALA 634 CO 0.07 0.54 0.12 -0.22 0.00 0.00 0.00 179.25 179.77 1kfs h LYS 635 N 0.92 0.70 -0.75 0.00 3.64 -1.14 -3.02 116.57 116.92 1kfs h LYS 635 Ca 0.19 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1kfs h LYS 635 Cb 0.38 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1kfs h LYS 635 CO 0.00 0.69 0.25 1.25 -2.27 0.00 0.00 179.45 179.37 1kfs h LEU 636 N 0.58 1.09 -0.35 5.20 5.85 -1.34 -1.76 115.31 124.58 1kfs h LEU 636 Ca 0.14 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1kfs h LEU 636 Cb 0.29 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1kfs h LEU 636 CO -0.00 1.00 0.08 0.50 -0.34 0.00 0.00 178.44 179.68 1kfs h LYS 637 N 1.12 0.56 0.00 1.25 3.64 -1.32 -1.62 116.57 120.20 1kfs h LYS 637 Ca 0.24 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1kfs h LYS 637 Cb 0.30 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1kfs h LYS 637 CO -0.01 0.62 -0.24 0.66 -2.27 0.00 0.00 179.45 178.21 1kfs h SER 638 N 0.41 0.00 0.28 4.20 4.64 -1.49 0.42 113.55 122.00 1kfs h SER 638 Ca 0.11 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.09 1kfs h SER 638 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1kfs h SER 638 CO 0.00 0.24 -1.76 0.74 -0.87 0.00 0.00 176.83 175.18 1kfs h THR 639 N 0.00 0.90 0.00 2.95 2.02 -1.28 -3.36 112.91 114.13 1kfs h THR 639 Ca -0.00 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.61 1kfs h THR 639 Cb 1.13 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 1kfs h THR 639 CO 0.03 0.82 -0.82 -1.22 0.37 0.00 0.00 175.52 174.70 1kfs n TYR 640 N -3.46 0.00 -0.10 3.16 4.01 -0.62 -4.39 117.16 115.76 1kfs n TYR 640 Ca -0.24 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.39 1kfs n TYR 640 Cb 1.06 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 40.10 1kfs n TYR 640 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1kfs h THR 641 N 0.00 1.28 0.00 -0.72 2.02 -1.24 -2.31 112.91 111.94 1kfs h THR 641 Ca 0.00 -1.55 -0.26 0.00 0.77 0.00 0.00 66.41 65.37 1kfs h THR 641 Cb 0.82 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.59 1kfs h THR 641 CO 0.00 0.51 -1.67 0.47 0.37 0.00 0.00 175.52 175.20 1kfs n ASP 642 N -4.05 0.81 -0.05 4.18 8.00 0.14 -4.49 116.55 121.09 1kfs n ASP 642 Ca -0.02 0.38 -0.19 0.00 0.71 0.00 0.00 54.79 55.67 1kfs n ASP 642 Cb 0.54 0.08 -0.13 0.00 -0.02 0.00 0.00 41.12 41.59 1kfs n ASP 642 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1kfs h LYS 643 N 0.00 0.10 -0.73 -1.24 1.79 -1.71 -3.40 116.57 111.38 1kfs h LYS 643 Ca -0.27 -0.17 0.16 0.00 -2.18 0.00 0.00 60.65 58.19 1kfs h LYS 643 Cb 1.90 0.06 -0.13 0.00 -1.58 0.00 0.00 32.23 32.49 1kfs h LYS 643 CO 0.07 1.08 -0.09 -0.07 -1.08 0.00 0.00 179.45 179.36 1kfs h LEU 644 N -0.73 -0.51 -1.83 2.94 4.07 -1.64 -1.44 115.31 116.17 1kfs h LEU 644 Ca -0.21 0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1kfs h LEU 644 Cb 1.38 0.39 -0.00 0.00 1.08 0.00 0.00 40.66 43.50 1kfs h LEU 644 CO -0.03 -0.21 -0.02 -0.65 -1.08 0.00 0.00 178.44 176.46 1kfs h PRO 645 N 0.05 0.08 0.00 1.13 0.11 -1.79 -0.93 132.00 130.64 1kfs h PRO 645 Ca 0.37 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.47 1kfs h PRO 645 Cb 0.62 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1kfs h PRO 645 CO -0.69 0.11 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.12 1kfs h LEU 646 N 0.08 0.00 -0.29 2.35 4.07 -1.48 -3.10 115.31 116.95 1kfs h LEU 646 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1kfs h LEU 646 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1kfs h LEU 646 CO 0.00 0.02 -0.09 0.23 -1.08 0.00 0.00 178.44 177.53 1kfs n MET 647 N -3.11 0.83 -1.97 1.13 2.81 -0.36 -4.87 117.12 111.58 1kfs n MET 647 Ca 0.01 -0.29 -0.42 0.00 -1.81 0.00 0.00 57.70 55.19 1kfs n MET 647 Cb 0.36 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.35 1kfs n MET 647 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1kfs s ILE 648 N -2.37 3.02 -0.15 2.02 1.01 -1.17 -4.48 121.20 119.08 1kfs s ILE 648 Ca 0.32 0.56 -0.29 0.00 0.00 0.00 0.00 60.65 61.25 1kfs s ILE 648 Cb 0.20 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1kfs s ILE 648 CO 0.45 0.01 0.98 0.21 0.00 0.00 0.00 174.94 176.59 1kfs s ASN 649 N 1.98 7.15 0.58 3.58 3.84 -0.11 -4.92 114.94 127.05 1kfs s ASN 649 Ca 0.71 1.42 0.28 0.00 0.21 0.00 0.00 52.86 55.48 1kfs s ASN 649 Cb -0.40 -2.53 1.67 0.00 -0.55 0.00 0.00 41.25 39.44 1kfs s ASN 649 CO 0.31 -0.50 2.15 -0.65 -2.79 0.00 0.00 177.10 175.62 1kfs h PRO 650 N 7.24 0.00 0.05 0.43 0.11 -1.93 0.62 132.00 138.53 1kfs h PRO 650 Ca -0.27 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.60 1kfs h PRO 650 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1kfs h PRO 650 CO 0.89 0.00 -1.04 -0.22 -0.21 0.00 0.00 178.00 177.41 1kfs h LYS 651 N 0.00 0.32 0.00 1.05 3.64 -1.95 -3.38 116.57 116.25 1kfs h LYS 651 Ca 0.06 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1kfs h LYS 651 Cb 0.32 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1kfs h LYS 651 CO -0.00 1.12 -1.27 0.25 -2.27 0.00 0.00 179.45 177.28 1kfs n THR 652 N -3.65 0.00 -1.11 1.00 -2.24 -1.01 -4.99 114.28 102.28 1kfs n THR 652 Ca -0.07 -0.14 -0.04 0.00 -2.27 0.00 0.00 64.05 61.53 1kfs n THR 652 Cb 0.90 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 1kfs n THR 652 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfs n GLY 653 N 2.14 0.68 3.34 3.38 0.00 0.21 -5.01 105.19 109.94 1kfs n GLY 653 Ca -0.01 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 1kfs n GLY 653 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kfs s ARG 654 N -2.02 1.34 -0.11 1.61 0.52 -1.24 -4.69 118.95 114.36 1kfs s ARG 654 Ca 0.00 -1.65 -0.15 0.00 -0.52 0.00 0.00 55.73 53.41 1kfs s ARG 654 Cb 0.00 -0.83 -0.05 0.00 0.52 0.00 0.00 34.95 34.59 1kfs s ARG 654 CO 0.00 0.01 0.38 0.08 0.02 0.00 0.00 175.30 175.80 1kfs s VAL 655 N -3.23 5.21 -0.41 3.52 1.01 -0.44 -0.93 120.40 125.14 1kfs s VAL 655 Ca 0.25 0.75 -0.01 0.00 0.00 0.00 0.00 61.98 62.98 1kfs s VAL 655 Cb 0.04 -3.71 0.11 0.00 0.00 0.00 0.00 36.38 32.81 1kfs s VAL 655 CO 0.08 0.41 0.18 -1.00 0.00 0.00 0.00 175.10 174.77 1kfs s HIS 656 N 0.19 3.61 0.55 5.22 0.09 -1.26 -0.39 115.29 123.30 1kfs s HIS 656 Ca 0.21 -2.59 -0.17 0.00 -0.00 0.00 0.00 55.06 52.52 1kfs s HIS 656 Cb -0.14 -3.15 -0.06 0.00 -0.00 0.00 0.00 32.58 29.23 1kfs s HIS 656 CO 0.08 -0.96 1.03 -0.08 -0.00 0.00 0.00 174.74 174.82 1kfs s THR 657 N 0.98 4.03 -0.33 1.30 -1.32 -1.26 -4.79 115.64 114.25 1kfs s THR 657 Ca 0.10 1.01 -0.13 0.00 -1.21 0.00 0.00 61.69 61.45 1kfs s THR 657 Cb -0.22 -3.49 -0.02 0.00 -1.51 0.00 0.00 72.50 67.26 1kfs s THR 657 CO -0.05 -0.52 0.27 -0.44 -2.21 0.00 0.00 174.62 171.68 1kfs s SER 658 N -2.75 6.10 -0.07 8.08 0.01 -0.45 -4.72 113.70 119.89 1kfs s SER 658 Ca 0.63 -0.32 -0.15 0.00 1.31 0.00 0.00 55.95 57.42 1kfs s SER 658 Cb -0.14 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 1kfs s SER 658 CO 0.32 -0.25 0.37 -0.31 0.41 0.00 0.00 173.24 173.79 1kfs s TYR 659 N 1.82 3.61 -0.25 2.43 2.02 -1.26 -0.91 117.35 124.80 1kfs s TYR 659 Ca 0.08 0.84 -0.03 0.00 -0.37 0.00 0.00 57.07 57.59 1kfs s TYR 659 Cb -0.17 -2.33 0.02 0.00 -0.40 0.00 0.00 41.96 39.08 1kfs s TYR 659 CO 0.11 0.46 -0.03 -1.01 -1.57 0.00 0.00 175.55 173.51 1kfs s HIS 660 N -0.38 3.07 -0.55 2.71 3.76 -0.73 -4.98 115.29 118.19 1kfs s HIS 660 Ca 0.22 -1.35 0.24 0.00 -0.15 0.00 0.00 55.06 54.02 1kfs s HIS 660 Cb -0.15 -2.11 0.43 0.00 1.11 0.00 0.00 32.58 31.86 1kfs s HIS 660 CO 0.10 -0.67 1.49 0.37 -0.85 0.00 0.00 174.74 175.17 1kfs h GLN 661 N 8.07 0.00 -2.04 1.40 4.15 -1.92 -2.81 115.11 121.96 1kfs h GLN 661 Ca -0.34 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.56 1kfs h GLN 661 Cb 1.12 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 28.40 1kfs h GLN 661 CO 0.58 0.00 -0.93 0.00 -1.93 0.00 0.00 178.83 176.55 1kfs n ALA 662 N -1.95 3.40 0.00 3.38 0.00 -1.26 -4.86 120.51 119.23 1kfs n ALA 662 Ca 0.04 -4.00 0.00 0.00 0.00 0.00 0.00 53.44 49.48 1kfs n ALA 662 Cb 0.48 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1kfs n ALA 662 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1kfs n VAL 663 N -0.01 0.00 -1.99 0.00 0.31 -1.26 -4.74 118.33 110.65 1kfs n VAL 663 Ca 0.27 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.28 1kfs n VAL 663 Cb 0.55 -0.92 0.02 0.00 -0.91 0.00 0.00 33.84 32.58 1kfs n VAL 663 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1kfs s THR 664 N -1.90 3.67 0.16 2.52 -4.23 -1.26 -4.96 115.64 109.63 1kfs s THR 664 Ca 0.00 0.79 0.13 0.00 -1.18 0.00 0.00 61.69 61.43 1kfs s THR 664 Cb 0.00 -3.32 0.01 0.00 1.34 0.00 0.00 72.50 70.53 1kfs s THR 664 CO 0.00 -0.46 1.57 0.00 -0.54 0.00 0.00 174.62 175.19 1kfs h ALA 665 N 0.37 0.84 0.00 3.99 0.00 -1.93 -3.30 119.26 119.23 1kfs h ALA 665 Ca -0.47 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1kfs h ALA 665 Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1kfs h ALA 665 CO 0.57 0.74 -1.09 0.25 0.00 0.00 0.00 179.25 179.71 1kfs n THR 666 N -3.56 0.31 0.00 0.00 -2.24 -1.26 -4.74 114.28 102.79 1kfs n THR 666 Ca -0.00 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1kfs n THR 666 Cb 0.65 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1kfs n THR 666 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfs n GLY 667 N 1.29 0.75 3.79 3.38 0.00 -1.24 -3.98 105.19 109.17 1kfs n GLY 667 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1kfs n GLY 667 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kfs s ARG 668 N -0.51 3.55 0.33 1.61 0.52 -1.26 -4.78 118.95 118.40 1kfs s ARG 668 Ca 0.00 1.47 -0.27 0.00 -0.52 0.00 0.00 55.73 56.41 1kfs s ARG 668 Cb 0.00 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.33 1kfs s ARG 668 CO 0.00 -0.66 1.05 -0.51 0.02 0.00 0.00 175.30 175.19 1kfs s LEU 669 N -3.72 4.38 0.49 2.53 1.43 -1.26 -4.38 118.68 118.15 1kfs s LEU 669 Ca 0.70 2.10 0.07 0.00 -1.03 0.00 0.00 54.13 55.96 1kfs s LEU 669 Cb -0.20 -3.89 0.01 0.00 0.03 0.00 0.00 46.19 42.15 1kfs s LEU 669 CO 0.25 -0.24 0.39 -0.94 0.23 0.00 0.00 176.35 176.03 1kfs s SER 670 N -1.26 4.75 -0.15 2.29 1.04 -1.06 -4.96 113.70 114.34 1kfs s SER 670 Ca 0.50 -1.06 -0.16 0.00 0.48 0.00 0.00 55.95 55.71 1kfs s SER 670 Cb -0.26 0.03 0.04 0.00 0.10 0.00 0.00 66.02 65.93 1kfs s SER 670 CO 0.33 -0.93 0.44 -0.55 0.98 0.00 0.00 173.24 173.51 1kfs s SER 671 N -4.22 -0.44 0.05 7.02 0.15 -1.26 -1.77 113.70 113.23 1kfs s SER 671 Ca 0.40 0.83 -0.02 0.00 0.70 0.00 0.00 55.95 57.86 1kfs s SER 671 Cb -0.02 0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 65.11 1kfs s SER 671 CO 0.24 -0.18 0.01 0.42 1.20 0.00 0.00 173.24 174.93 1kfs s THR 672 N 0.11 0.20 -1.04 6.45 -4.23 -0.09 -4.18 115.64 112.87 1kfs s THR 672 Ca -0.01 -1.66 -0.19 0.00 -1.18 0.00 0.00 61.69 58.65 1kfs s THR 672 Cb -0.03 -1.44 0.02 0.00 1.34 0.00 0.00 72.50 72.39 1kfs s THR 672 CO 0.01 -0.92 0.67 0.47 -0.54 0.00 0.00 174.62 174.31 1kfs n ASP 673 N 0.15 -4.70 -4.95 3.99 8.00 -1.26 -1.35 116.55 116.42 1kfs n ASP 673 Ca -0.15 -1.09 -0.23 0.00 0.71 0.00 0.00 54.79 54.03 1kfs n ASP 673 Cb 0.61 -2.01 -0.01 0.00 -0.02 0.00 0.00 41.12 39.69 1kfs n ASP 673 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1kfs s PRO 674 N -6.14 3.39 -0.88 -0.24 0.04 -1.26 -4.13 135.00 125.78 1kfs s PRO 674 Ca 0.28 -0.49 -0.24 0.00 0.04 0.00 0.00 61.00 60.60 1kfs s PRO 674 Cb -0.15 -2.70 0.06 0.00 0.04 0.00 0.00 34.50 31.75 1kfs s PRO 674 CO 0.92 0.14 1.29 1.21 0.04 0.00 0.00 177.00 180.61 1kfs s ASN 675 N -4.06 6.37 0.49 6.66 3.84 -1.26 -4.71 114.94 122.27 1kfs s ASN 675 Ca 0.40 -1.16 0.16 0.00 0.21 0.00 0.00 52.86 52.47 1kfs s ASN 675 Cb -0.10 -2.53 1.17 0.00 -0.55 0.00 0.00 41.25 39.25 1kfs s ASN 675 CO 0.35 -1.54 2.09 -0.07 -2.79 0.00 0.00 177.10 175.13 1kfs h LEU 676 N 12.37 0.00 -1.12 3.21 4.07 -1.91 -2.90 115.31 129.04 1kfs h LEU 676 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1kfs h LEU 676 Cb 1.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1kfs h LEU 676 CO 1.31 0.07 0.00 1.56 -1.08 0.00 0.00 178.44 180.30 1kfs h GLN 677 N 0.00 0.00 -0.03 1.13 4.20 -1.89 -3.00 115.11 115.53 1kfs h GLN 677 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1kfs h GLN 677 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1kfs h GLN 677 CO 0.01 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.26 1kfs n ASN 678 N -2.78 1.31 -4.66 1.46 3.02 -1.09 -4.81 115.26 107.70 1kfs n ASN 678 Ca 0.01 -1.46 -0.43 0.00 -0.03 0.00 0.00 54.58 52.67 1kfs n ASN 678 Cb 0.29 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.43 1kfs n ASN 678 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kfs s ILE 679 N -1.97 4.31 -0.05 2.41 1.01 -1.13 -4.93 121.20 120.84 1kfs s ILE 679 Ca 0.38 1.58 -0.39 0.00 0.00 0.00 0.00 60.65 62.22 1kfs s ILE 679 Cb 0.21 -4.03 -0.18 0.00 0.01 0.00 0.00 42.46 38.47 1kfs s ILE 679 CO 0.33 -0.15 1.34 -2.65 0.00 0.00 0.00 174.94 173.81 1kfs n PRO 680 N 6.61 0.68 -0.07 2.79 -0.02 -1.26 -4.92 135.00 138.81 1kfs n PRO 680 Ca 0.14 0.25 -0.07 0.00 -2.02 0.00 0.00 63.50 61.79 1kfs n PRO 680 Cb 0.45 -1.84 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 1kfs n PRO 680 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1kfs h VAL 681 N 3.67 0.27 -3.61 -1.45 2.07 -1.92 -3.40 116.25 111.88 1kfs h VAL 681 Ca -0.48 -1.29 -0.78 0.00 0.82 0.00 0.00 66.70 64.97 1kfs h VAL 681 Cb 1.37 0.60 -0.29 0.00 -1.52 0.00 0.00 31.29 31.44 1kfs h VAL 681 CO 0.78 0.09 0.23 -0.13 0.02 0.00 0.00 177.57 178.56 1kfs s ARG 682 N -2.10 3.81 -0.18 1.57 0.52 -1.26 -4.82 118.95 116.49 1kfs s ARG 682 Ca -0.14 -2.97 -0.31 0.00 -0.52 0.00 0.00 55.73 51.79 1kfs s ARG 682 Cb 0.02 -4.39 0.14 0.00 0.52 0.00 0.00 34.95 31.24 1kfs s ARG 682 CO 0.26 -1.25 1.12 1.21 0.02 0.00 0.00 175.30 176.66 1kfs s ASN 683 N 1.33 -0.23 0.04 0.23 3.84 -1.26 -5.07 114.94 113.82 1kfs s ASN 683 Ca 0.26 0.16 -0.15 0.00 0.21 0.00 0.00 52.86 53.34 1kfs s ASN 683 Cb -0.10 0.21 -0.34 0.00 -0.55 0.00 0.00 41.25 40.47 1kfs s ASN 683 CO -0.09 -0.28 1.03 -0.08 -2.79 0.00 0.00 177.10 174.90 1kfs h GLU 684 N 2.23 0.54 -0.43 0.43 4.81 -1.94 -3.07 114.58 117.15 1kfs h GLU 684 Ca -0.14 -0.88 -0.04 0.00 -0.13 0.00 0.00 59.36 58.17 1kfs h GLU 684 Cb 1.18 0.32 -0.02 0.00 0.63 0.00 0.00 28.75 30.86 1kfs h GLU 684 CO 0.27 1.42 0.12 0.93 -0.73 0.00 0.00 179.01 181.01 1kfs h GLU 685 N 0.17 0.64 -0.61 1.92 4.39 -1.98 0.10 114.58 119.21 1kfs h GLU 685 Ca -0.24 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.31 1kfs h GLU 685 Cb 2.11 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 30.63 1kfs h GLU 685 CO 0.27 0.57 0.20 0.78 -1.16 0.00 0.00 179.01 179.67 1kfs h GLY 686 N 0.83 0.98 1.23 -3.84 0.00 -1.77 -1.25 103.07 99.25 1kfs h GLY 686 Ca 0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1kfs h GLY 686 CO -0.01 0.50 0.30 3.21 0.00 0.00 0.00 176.54 180.55 1kfs h ARG 687 N 0.89 0.99 -0.07 4.80 3.08 -0.77 -1.89 114.38 121.41 1kfs h ARG 687 Ca 0.20 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 59.97 1kfs h ARG 687 Cb 0.23 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1kfs h ARG 687 CO -0.01 0.78 -0.56 0.00 -1.07 0.00 0.00 179.97 179.11 1kfs h ARG 688 N 0.98 0.21 0.25 0.04 3.08 -0.23 -1.97 114.38 116.73 1kfs h ARG 688 Ca 0.23 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1kfs h ARG 688 Cb 0.14 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1kfs h ARG 688 CO -0.03 0.72 -0.12 0.82 -1.07 0.00 0.00 179.97 180.30 1kfs h ILE 689 N 0.16 0.79 -0.27 2.04 1.08 -0.79 -2.51 117.51 118.01 1kfs h ILE 689 Ca -0.00 -0.19 0.08 0.00 -0.39 0.00 0.00 64.86 64.35 1kfs h ILE 689 Cb 1.04 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.68 1kfs h ILE 689 CO 0.09 0.04 0.22 0.03 -0.69 0.00 0.00 178.15 177.84 1kfs h ARG 690 N -0.43 0.00 0.00 2.37 3.08 -1.23 0.15 114.38 118.32 1kfs h ARG 690 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1kfs h ARG 690 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1kfs h ARG 690 CO 0.06 0.00 0.00 1.96 -1.07 0.00 0.00 179.97 180.92 1kfs h GLN 691 N 0.00 0.00 0.00 0.04 4.20 -0.89 -1.91 115.11 116.55 1kfs h GLN 691 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1kfs h GLN 691 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1kfs h GLN 691 CO -0.00 0.00 -0.12 0.00 -0.67 0.00 0.00 178.83 178.04 1kfs n ALA 692 N -1.98 2.55 -2.98 3.87 0.00 0.51 -4.53 120.51 117.95 1kfs n ALA 692 Ca 0.00 -0.14 -0.44 0.00 0.00 0.00 0.00 53.44 52.87 1kfs n ALA 692 Cb 0.22 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 1kfs n ALA 692 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1kfs s PHE 693 N -3.03 2.96 0.34 0.00 0.40 -0.73 -0.55 117.98 117.37 1kfs s PHE 693 Ca 0.12 -1.00 0.08 0.00 -0.60 0.00 0.00 56.93 55.53 1kfs s PHE 693 Cb 0.17 -4.18 -0.03 0.00 0.51 0.00 0.00 43.02 39.49 1kfs s PHE 693 CO 0.58 -1.46 0.26 0.96 0.70 0.00 0.00 175.22 176.26 1kfs s ILE 694 N 3.03 3.36 -0.03 0.64 -4.36 0.08 -0.85 121.20 123.07 1kfs s ILE 694 Ca 0.22 -1.45 -0.11 0.00 -0.26 0.00 0.00 60.65 59.05 1kfs s ILE 694 Cb -0.15 -3.13 -0.05 0.00 1.25 0.00 0.00 42.46 40.38 1kfs s ILE 694 CO 0.02 -0.16 0.31 0.00 0.24 0.00 0.00 174.94 175.35 1kfs s ALA 695 N -2.34 3.77 1.10 2.27 0.00 -0.95 -4.23 121.76 121.38 1kfs s ALA 695 Ca 0.41 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 1kfs s ALA 695 Cb -0.05 -2.21 0.25 0.00 0.00 0.00 0.00 23.12 21.11 1kfs s ALA 695 CO 0.26 0.55 1.06 -1.25 0.00 0.00 0.00 175.76 176.38 1kfs s PRO 696 N -1.20 -0.43 0.21 0.00 0.04 -1.26 -4.84 135.00 127.51 1kfs s PRO 696 Ca 0.22 0.53 -0.32 0.00 0.04 0.00 0.00 61.00 61.47 1kfs s PRO 696 Cb -0.15 -1.64 -0.14 0.00 0.04 0.00 0.00 34.50 32.61 1kfs s PRO 696 CO 0.11 -3.32 1.32 -1.91 0.04 0.00 0.00 177.00 173.24 1kfs n GLU 697 N -4.59 1.69 -1.22 4.56 4.07 -1.26 -1.87 120.64 122.03 1kfs n GLU 697 Ca 0.05 0.60 -0.08 0.00 -0.06 0.00 0.00 57.16 57.68 1kfs n GLU 697 Cb 0.57 -2.20 -0.03 0.00 -0.06 0.00 0.00 31.44 29.71 1kfs n GLU 697 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1kfs n ASP 698 N 2.17 -4.36 -4.34 4.31 8.00 -1.26 -5.01 116.55 116.06 1kfs n ASP 698 Ca 0.13 0.19 -0.18 0.00 0.71 0.00 0.00 54.79 55.64 1kfs n ASP 698 Cb 0.28 -2.53 -0.10 0.00 -0.02 0.00 0.00 41.12 38.76 1kfs n ASP 698 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1kfs s TYR 699 N -2.13 1.62 0.06 1.24 1.51 -0.78 -1.56 117.35 117.30 1kfs s TYR 699 Ca 0.00 -0.82 0.02 0.00 -1.01 0.00 0.00 57.07 55.26 1kfs s TYR 699 Cb 0.00 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 1kfs s TYR 699 CO 0.00 0.08 -0.08 0.14 -1.11 0.00 0.00 175.55 174.58 1kfs s VAL 700 N -3.28 0.63 -0.08 0.71 -7.23 0.11 -4.66 120.40 106.60 1kfs s VAL 700 Ca 0.26 -1.29 -0.27 0.00 -1.81 0.00 0.00 61.98 58.87 1kfs s VAL 700 Cb 0.04 -0.89 -0.02 0.00 0.56 0.00 0.00 36.38 36.07 1kfs s VAL 700 CO 0.08 -0.48 0.86 -0.63 -0.31 0.00 0.00 175.10 174.62 1kfs s ILE 701 N -1.87 4.91 -0.15 -0.62 -1.09 -0.05 -0.84 121.20 121.50 1kfs s ILE 701 Ca -0.04 1.75 -0.00 0.00 -2.23 0.00 0.00 60.65 60.12 1kfs s ILE 701 Cb -0.07 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1kfs s ILE 701 CO -0.00 0.13 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.02 1kfs s VAL 702 N 1.42 2.99 -0.23 2.92 1.01 -0.02 -1.52 120.40 126.97 1kfs s VAL 702 Ca 0.43 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1kfs s VAL 702 Cb -0.18 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1kfs s VAL 702 CO 0.19 0.51 -0.05 -0.55 0.00 0.00 0.00 175.10 175.20 1kfs s SER 703 N 0.61 4.27 -0.25 3.32 0.15 0.14 -0.18 113.70 121.75 1kfs s SER 703 Ca -0.07 -0.52 -0.04 0.00 0.70 0.00 0.00 55.95 56.02 1kfs s SER 703 Cb -0.16 -1.72 0.01 0.00 -1.71 0.00 0.00 66.02 62.45 1kfs s SER 703 CO 0.03 -0.05 -0.02 0.00 1.20 0.00 0.00 173.24 174.40 1kfs s ALA 704 N 1.44 2.83 0.02 5.45 0.00 -0.33 -0.03 121.76 131.15 1kfs s ALA 704 Ca 0.04 -1.36 0.09 0.00 0.00 0.00 0.00 51.96 50.73 1kfs s ALA 704 Cb -0.15 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 1kfs s ALA 704 CO -0.04 -0.72 -0.26 0.34 0.00 0.00 0.00 175.76 175.08 1kfs s ASP 705 N 1.42 3.10 -0.53 0.00 2.15 -0.01 -0.83 116.67 121.97 1kfs s ASP 705 Ca 0.03 -0.54 -0.21 0.00 0.43 0.00 0.00 52.55 52.26 1kfs s ASP 705 Cb -0.16 -0.31 0.06 0.00 -0.30 0.00 0.00 42.92 42.21 1kfs s ASP 705 CO -0.02 0.28 0.73 -0.31 -0.17 0.00 0.00 175.17 175.68 1kfs s TYR 706 N -0.73 2.95 0.07 -5.34 2.02 -0.52 -0.14 117.35 115.66 1kfs s TYR 706 Ca 0.11 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 1kfs s TYR 706 Cb -0.10 -3.76 -0.09 0.00 -0.40 0.00 0.00 41.96 37.61 1kfs s TYR 706 CO 0.01 -1.17 1.88 -1.12 -1.57 0.00 0.00 175.55 173.58 1kfs s SER 707 N 2.86 6.45 -0.59 2.29 0.01 -0.53 -3.39 113.70 120.81 1kfs s SER 707 Ca 0.19 2.68 -0.06 0.00 1.31 0.00 0.00 55.95 60.08 1kfs s SER 707 Cb -0.18 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.51 1kfs s SER 707 CO 0.13 -1.02 0.11 0.00 0.41 0.00 0.00 173.24 172.87 1kfs n GLN 708 N 6.64 -0.87 -0.36 12.44 10.64 -1.26 -4.71 117.38 139.91 1kfs n GLN 708 Ca 0.19 -0.09 0.08 0.00 -1.83 0.00 0.00 57.00 55.35 1kfs n GLN 708 Cb 0.40 -1.09 0.26 0.00 -0.86 0.00 0.00 30.24 28.95 1kfs n GLN 708 CO 0.00 0.00 0.00 0.97 -1.83 0.00 0.00 177.06 176.20 1kfs h ILE 709 N 0.18 0.86 -0.40 -0.39 2.10 -1.93 -1.22 117.51 116.71 1kfs h ILE 709 Ca -0.28 -0.32 -0.04 0.00 1.08 0.00 0.00 64.86 65.30 1kfs h ILE 709 Cb 0.58 -0.14 -0.02 0.00 -1.09 0.00 0.00 36.82 36.15 1kfs h ILE 709 CO 0.26 0.17 0.09 -0.33 -1.08 0.00 0.00 178.15 177.26 1kfs h GLU 710 N 0.92 0.59 -0.07 2.19 5.08 -1.87 0.37 114.58 121.79 1kfs h GLU 710 Ca 0.51 -0.10 -0.22 0.00 -1.00 0.00 0.00 59.36 58.55 1kfs h GLU 710 Cb 0.59 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1kfs h GLU 710 CO -0.30 0.55 -0.85 1.25 -1.00 0.00 0.00 179.01 178.66 1kfs h LEU 711 N 0.58 0.73 -0.92 1.33 5.85 -1.62 -1.45 115.31 119.80 1kfs h LEU 711 Ca 0.13 -0.52 -0.09 0.00 0.84 0.00 0.00 57.88 58.24 1kfs h LEU 711 Cb 0.23 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1kfs h LEU 711 CO -0.00 1.31 -0.16 0.03 -0.34 0.00 0.00 178.44 179.27 1kfs h ARG 712 N 0.38 0.60 -0.43 1.25 3.08 -0.72 -1.04 114.38 117.50 1kfs h ARG 712 Ca -0.07 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 1kfs h ARG 712 Cb 1.47 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 1kfs h ARG 712 CO 0.16 0.74 -0.08 0.82 -1.07 0.00 0.00 179.97 180.54 1kfs h ILE 713 N 0.54 1.27 -0.83 2.04 2.04 -0.85 -1.86 117.51 119.87 1kfs h ILE 713 Ca 0.09 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1kfs h ILE 713 Cb 0.59 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1kfs h ILE 713 CO 0.04 0.40 0.43 -0.03 0.00 0.00 0.00 178.15 178.99 1kfs h MET 714 N 0.64 1.17 -0.52 2.37 4.05 -0.88 0.11 114.93 121.87 1kfs h MET 714 Ca 0.11 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1kfs h MET 714 Cb 0.61 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 1kfs h MET 714 CO 0.04 0.87 0.31 0.00 0.23 0.00 0.00 176.91 178.36 1kfs h ALA 715 N 1.30 0.66 -0.14 0.39 0.00 -0.89 -0.06 119.26 120.52 1kfs h ALA 715 Ca 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1kfs h ALA 715 Cb 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1kfs h ALA 715 CO -0.04 0.02 -0.03 1.25 0.00 0.00 0.00 179.25 180.45 1kfs h HIS 716 N 0.62 0.30 0.00 0.00 6.17 -0.87 -2.54 115.15 118.83 1kfs h HIS 716 Ca 0.21 -0.06 -0.01 0.00 0.71 0.00 0.00 60.37 61.21 1kfs h HIS 716 Cb 0.01 -0.07 -0.00 0.00 2.52 0.00 0.00 27.41 29.87 1kfs h HIS 716 CO -0.06 0.55 -0.05 -0.07 0.71 0.00 0.00 177.93 179.00 1kfs h LEU 717 N -0.03 0.00 -2.03 0.26 3.38 -0.48 -1.97 115.31 114.44 1kfs h LEU 717 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1kfs h LEU 717 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1kfs h LEU 717 CO 0.01 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.05 1kfs n SER 718 N -3.73 3.08 -2.46 -0.43 3.41 -0.06 -4.83 113.62 108.60 1kfs n SER 718 Ca -0.02 -1.97 -0.07 0.00 -0.26 0.00 0.00 58.87 56.55 1kfs n SER 718 Cb 0.15 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1kfs n SER 718 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kfs n ARG 719 N 1.34 -2.55 -2.66 4.33 1.74 -0.74 -4.39 116.66 113.73 1kfs n ARG 719 Ca 0.15 0.34 -0.43 0.00 -0.77 0.00 0.00 57.85 57.14 1kfs n ARG 719 Cb 0.58 -4.89 -0.02 0.00 -1.02 0.00 0.00 32.46 27.11 1kfs n ARG 719 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1kfs s ASP 720 N -2.01 6.73 0.54 0.55 -1.08 -1.15 -4.92 116.67 115.33 1kfs s ASP 720 Ca 0.00 0.66 0.29 0.00 -0.52 0.00 0.00 52.55 52.98 1kfs s ASP 720 Cb 0.00 -2.53 1.53 0.00 -1.46 0.00 0.00 42.92 40.46 1kfs s ASP 720 CO 0.00 -1.05 2.10 0.50 0.52 0.00 0.00 175.17 177.24 1kfs h LYS 721 N 8.71 0.00 0.54 4.34 3.64 -1.90 0.04 116.57 131.95 1kfs h LYS 721 Ca -0.22 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 1kfs h LYS 721 Cb 1.06 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1kfs h LYS 721 CO 1.07 0.10 -0.26 0.78 -2.27 0.00 0.00 179.45 178.86 1kfs h GLY 722 N 0.77 -0.76 0.89 5.01 0.00 -1.92 0.40 103.07 107.46 1kfs h GLY 722 Ca -0.00 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 1kfs h GLY 722 CO 0.01 -0.28 -0.02 1.41 0.00 0.00 0.00 176.54 177.66 1kfs h LEU 723 N -1.11 -0.05 -0.95 3.11 3.38 -1.92 -0.94 115.31 116.83 1kfs h LEU 723 Ca -0.07 -0.10 0.16 0.00 0.09 0.00 0.00 57.88 57.95 1kfs h LEU 723 Cb 0.61 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 1kfs h LEU 723 CO 0.12 0.07 0.55 -0.07 0.09 0.00 0.00 178.44 179.21 1kfs h LEU 724 N -0.17 0.72 -0.35 1.67 4.07 -1.04 0.14 115.31 120.34 1kfs h LEU 724 Ca -0.01 0.09 -0.19 0.00 0.08 0.00 0.00 57.88 57.85 1kfs h LEU 724 Cb 0.15 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1kfs h LEU 724 CO 0.01 0.30 -0.66 0.74 -1.08 0.00 0.00 178.44 177.74 1kfs h THR 725 N 0.76 1.31 -0.28 0.22 2.02 -0.57 -0.77 112.91 115.60 1kfs h THR 725 Ca 0.52 -1.92 0.04 0.00 0.77 0.00 0.00 66.41 65.82 1kfs h THR 725 Cb 0.74 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 1kfs h THR 725 CO -0.36 0.60 0.06 0.00 0.37 0.00 0.00 175.52 176.20 1kfs h ALA 726 N 0.79 0.29 -0.70 6.16 0.00 0.38 0.22 119.26 126.41 1kfs h ALA 726 Ca -0.02 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1kfs h ALA 726 Cb 1.25 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1kfs h ALA 726 CO 0.13 -0.35 0.16 0.74 0.00 0.00 0.00 179.25 179.93 1kfs h PHE 727 N 0.17 1.18 -0.93 0.00 0.04 -1.16 -1.48 116.94 114.77 1kfs h PHE 727 Ca 0.13 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.77 1kfs h PHE 727 Cb 0.12 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 37.89 1kfs h PHE 727 CO -0.16 0.97 0.61 0.00 -0.60 0.00 0.00 178.31 179.13 1kfs h ALA 728 N 1.08 1.37 -0.54 2.45 0.00 -0.11 -2.15 119.26 121.35 1kfs h ALA 728 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1kfs h ALA 728 Cb 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1kfs h ALA 728 CO 0.00 0.57 0.00 -0.85 0.00 0.00 0.00 179.25 178.97 1kfs n GLU 729 N -4.41 3.11 -1.92 0.00 0.28 -0.03 -4.94 120.64 112.73 1kfs n GLU 729 Ca 0.11 -2.29 -0.13 0.00 -0.16 0.00 0.00 57.16 54.69 1kfs n GLU 729 Cb 0.05 -1.74 -0.03 0.00 1.43 0.00 0.00 31.44 31.16 1kfs n GLU 729 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1kfs n GLY 730 N 1.04 0.41 3.90 -1.84 0.00 -0.81 -5.02 105.19 102.88 1kfs n GLY 730 Ca 0.21 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1kfs n GLY 730 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfs s LYS 731 N -4.08 3.54 -0.35 1.61 1.02 -0.58 -4.98 119.74 115.92 1kfs s LYS 731 Ca 0.00 0.36 -0.29 0.00 0.02 0.00 0.00 55.97 56.06 1kfs s LYS 731 Cb 0.00 -2.29 -0.00 0.00 -0.52 0.00 0.00 37.83 35.02 1kfs s LYS 731 CO 0.00 -0.32 1.56 0.34 -0.92 0.00 0.00 175.35 176.01 1kfs s ASP 732 N -4.13 6.21 0.55 2.83 -1.08 -1.26 -4.61 116.67 115.17 1kfs s ASP 732 Ca 0.50 1.11 0.22 0.00 -0.52 0.00 0.00 52.55 53.85 1kfs s ASP 732 Cb -0.10 -2.53 1.48 0.00 -1.46 0.00 0.00 42.92 40.30 1kfs s ASP 732 CO 0.48 -1.49 2.16 0.16 0.52 0.00 0.00 175.17 177.00 1kfs h ILE 733 N 6.52 0.78 -0.27 4.11 -0.00 -1.94 0.12 117.51 126.84 1kfs h ILE 733 Ca -0.30 0.00 -0.16 0.00 -0.00 0.00 0.00 64.86 64.40 1kfs h ILE 733 Cb 1.13 0.96 -0.01 0.00 -0.00 0.00 0.00 36.82 38.90 1kfs h ILE 733 CO 1.05 0.00 -0.47 0.45 -0.00 0.00 0.00 178.15 179.18 1kfs h HIS 734 N 0.00 0.87 0.05 0.16 3.86 -1.92 0.71 115.15 118.88 1kfs h HIS 734 Ca 0.04 -0.28 -0.24 0.00 -1.16 0.00 0.00 60.37 58.72 1kfs h HIS 734 Cb 0.16 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1kfs h HIS 734 CO 0.00 1.05 -1.04 0.00 0.86 0.00 0.00 177.93 178.79 1kfs h ARG 735 N 0.57 0.35 -0.46 2.45 3.08 -1.71 -1.09 114.38 117.56 1kfs h ARG 735 Ca 0.03 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 1kfs h ARG 735 Cb 1.03 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1kfs h ARG 735 CO 0.10 1.13 0.17 0.00 -1.07 0.00 0.00 179.97 180.31 1kfs h ALA 736 N 0.70 0.60 -0.52 0.04 0.00 -0.70 0.12 119.26 119.49 1kfs h ALA 736 Ca -0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1kfs h ALA 736 Cb 1.71 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1kfs h ALA 736 CO 0.18 0.21 0.11 1.15 0.00 0.00 0.00 179.25 180.90 1kfs h THR 737 N 0.60 1.24 -0.72 0.00 2.02 -0.84 -2.71 112.91 112.50 1kfs h THR 737 Ca 0.15 -0.88 -0.06 0.00 0.77 0.00 0.00 66.41 66.39 1kfs h THR 737 Cb 0.21 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1kfs h THR 737 CO -0.01 0.32 0.22 0.00 0.37 0.00 0.00 175.52 176.42 1kfs h ALA 738 N 0.99 1.04 0.00 6.16 0.00 -0.95 -0.00 119.26 126.49 1kfs h ALA 738 Ca 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1kfs h ALA 738 Cb 0.35 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1kfs h ALA 738 CO 0.00 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.88 1kfs h ALA 739 N 1.17 1.04 0.03 0.00 0.00 -0.67 0.10 119.26 120.94 1kfs h ALA 739 Ca 0.23 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.74 1kfs h ALA 739 Cb 0.30 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1kfs h ALA 739 CO -0.01 0.02 -2.28 0.39 0.00 0.00 0.00 179.25 177.37 1kfs n GLU 740 N -3.17 0.66 0.07 0.00 -0.58 -0.99 -1.49 120.64 115.14 1kfs n GLU 740 Ca -0.01 0.23 -0.03 0.00 -0.42 0.00 0.00 57.16 56.93 1kfs n GLU 740 Cb 0.20 -1.58 0.20 0.00 -0.57 0.00 0.00 31.44 29.70 1kfs n GLU 740 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1kfs h VAL 741 N -0.26 1.30 -0.01 2.62 2.07 -0.90 -3.19 116.25 117.89 1kfs h VAL 741 Ca -0.55 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1kfs h VAL 741 Cb 1.83 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 1kfs h VAL 741 CO -0.12 0.46 -0.48 0.49 0.02 0.00 0.00 177.57 177.93 1kfs n PHE 742 N -4.03 0.00 -3.08 1.57 3.72 0.34 -4.88 117.46 111.10 1kfs n PHE 742 Ca -0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.38 1kfs n PHE 742 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1kfs n PHE 742 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kfs n GLY 743 N 1.24 -1.24 3.44 1.37 0.00 -0.98 -5.02 105.19 104.00 1kfs n GLY 743 Ca 0.05 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.45 1kfs n GLY 743 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1kfs s LEU 744 N -4.09 0.13 0.60 0.99 2.34 -0.56 -5.01 118.68 113.08 1kfs s LEU 744 Ca 0.03 -0.39 -0.20 0.00 0.06 0.00 0.00 54.13 53.63 1kfs s LEU 744 Cb -0.00 2.07 -0.03 0.00 -0.56 0.00 0.00 46.19 47.67 1kfs s LEU 744 CO 0.75 -0.98 1.32 -2.84 -1.06 0.00 0.00 176.35 173.55 1kfs s PRO 745 N -3.84 2.84 0.34 1.48 0.02 -1.26 -4.55 135.00 130.03 1kfs s PRO 745 Ca 0.07 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.25 1kfs s PRO 745 Cb 0.00 -2.04 0.61 0.00 0.02 0.00 0.00 34.50 33.09 1kfs s PRO 745 CO -0.07 -1.39 1.96 1.25 -0.33 0.00 0.00 177.00 178.42 1kfs h LEU 746 N 0.99 0.67 -1.01 -5.54 5.85 -1.92 -2.46 115.31 111.89 1kfs h LEU 746 Ca -0.51 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.08 1kfs h LEU 746 Cb 1.32 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1kfs h LEU 746 CO 0.55 0.56 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.72 1kfs h GLU 747 N 0.76 0.52 0.00 1.25 3.07 -1.97 -3.06 114.58 115.15 1kfs h GLU 747 Ca 0.19 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1kfs h GLU 747 Cb 0.05 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1kfs h GLU 747 CO -0.03 0.67 -0.20 0.25 -1.40 0.00 0.00 179.01 178.30 1kfs n THR 748 N -4.17 0.24 -1.67 1.13 -2.24 -0.95 -4.89 114.28 101.73 1kfs n THR 748 Ca 0.00 -0.13 -0.49 0.00 -2.27 0.00 0.00 64.05 61.16 1kfs n THR 748 Cb 0.35 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.21 1kfs n THR 748 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1kfs n VAL 749 N -1.84 0.32 -1.62 2.28 3.14 -1.09 -4.94 118.33 114.59 1kfs n VAL 749 Ca 0.06 -0.06 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 1kfs n VAL 749 Cb 0.38 -1.63 0.11 0.00 -1.06 0.00 0.00 33.84 31.64 1kfs n VAL 749 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1kfs s THR 750 N 2.69 2.45 0.37 1.55 -4.23 -1.26 -4.90 115.64 112.30 1kfs s THR 750 Ca 0.88 0.14 0.12 0.00 -1.18 0.00 0.00 61.69 61.66 1kfs s THR 750 Cb -0.74 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 70.25 1kfs s THR 750 CO 0.48 -0.19 1.83 0.28 -0.54 0.00 0.00 174.62 176.48 1kfs h SER 751 N -1.25 0.02 0.58 3.99 0.02 -1.99 -1.49 113.55 113.43 1kfs h SER 751 Ca -0.48 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.27 1kfs h SER 751 Cb 1.31 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1kfs h SER 751 CO 0.62 0.38 -0.85 -0.08 -1.14 0.00 0.00 176.83 175.76 1kfs h GLU 752 N 0.02 0.18 -0.12 3.45 4.81 -1.98 -1.78 114.58 119.16 1kfs h GLU 752 Ca -0.00 -0.19 -0.21 0.00 -0.13 0.00 0.00 59.36 58.83 1kfs h GLU 752 Cb 0.64 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1kfs h GLU 752 CO 0.05 0.92 -0.77 1.96 -0.73 0.00 0.00 179.01 180.44 1kfs h GLN 753 N 0.10 0.63 -0.53 1.92 4.20 -1.86 -2.19 115.11 117.40 1kfs h GLN 753 Ca -0.04 -0.52 -0.07 0.00 0.06 0.00 0.00 58.65 58.08 1kfs h GLN 753 Cb 1.47 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 29.34 1kfs h GLN 753 CO 0.13 1.14 0.04 -0.09 -0.67 0.00 0.00 178.83 179.38 1kfs h ARG 754 N 0.43 0.90 -0.04 1.46 2.43 -1.26 -1.60 114.38 116.69 1kfs h ARG 754 Ca -0.05 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 58.79 1kfs h ARG 754 Cb 1.38 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1kfs h ARG 754 CO 0.15 0.90 -0.27 -0.09 -1.51 0.00 0.00 179.97 179.14 1kfs h ARG 755 N 0.78 0.08 -0.01 0.20 2.43 -1.28 -1.28 114.38 115.30 1kfs h ARG 755 Ca 0.15 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 59.07 1kfs h ARG 755 Cb 0.47 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1kfs h ARG 755 CO 0.02 0.35 -0.90 0.77 -1.51 0.00 0.00 179.97 178.70 1kfs h SER 756 N 0.07 0.81 -0.11 -3.80 0.02 -1.10 -2.62 113.55 106.82 1kfs h SER 756 Ca 0.01 -0.74 -0.12 0.00 -0.84 0.00 0.00 61.79 60.11 1kfs h SER 756 Cb 0.53 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1kfs h SER 756 CO 0.04 1.44 -0.30 0.00 -1.14 0.00 0.00 176.83 176.86 1kfs h ALA 757 N 0.38 0.94 -0.52 3.77 0.00 -1.18 -2.66 119.26 119.99 1kfs h ALA 757 Ca -0.11 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1kfs h ALA 757 Cb 1.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1kfs h ALA 757 CO 0.18 0.61 0.02 -0.22 0.00 0.00 0.00 179.25 179.84 1kfs h LYS 758 N 0.51 0.92 -0.61 0.00 3.64 -1.26 0.39 116.57 120.15 1kfs h LYS 758 Ca 0.06 -0.28 -0.08 0.00 -1.27 0.00 0.00 60.65 59.08 1kfs h LYS 758 Cb 0.78 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1kfs h LYS 758 CO 0.06 0.93 0.08 0.00 -2.27 0.00 0.00 179.45 178.25 1kfs h ALA 759 N 0.95 0.99 0.39 5.00 0.00 -1.42 -0.99 119.26 124.19 1kfs h ALA 759 Ca 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1kfs h ALA 759 Cb 0.50 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1kfs h ALA 759 CO 0.02 0.63 -0.19 0.82 0.00 0.00 0.00 179.25 180.54 1kfs h ILE 760 N 0.93 0.60 0.24 0.00 2.04 -1.20 -0.56 117.51 119.56 1kfs h ILE 760 Ca 0.18 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1kfs h ILE 760 Cb 0.43 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1kfs h ILE 760 CO 0.01 0.07 -0.46 0.78 0.00 0.00 0.00 178.15 178.56 1kfs h ASN 761 N -0.76 -1.33 0.56 1.72 2.35 -0.79 0.59 115.58 117.92 1kfs h ASN 761 Ca -0.05 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1kfs h ASN 761 Cb 0.52 0.47 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1kfs h ASN 761 CO 0.09 -0.53 0.00 0.49 -1.65 0.00 0.00 177.43 175.83 1kfs n PHE 762 N -5.11 0.59 0.06 1.19 3.72 -0.39 -1.59 117.46 115.93 1kfs n PHE 762 Ca -0.09 0.25 -0.08 0.00 -0.05 0.00 0.00 57.45 57.47 1kfs n PHE 762 Cb 0.38 -0.89 -0.12 0.00 -0.94 0.00 0.00 39.48 37.90 1kfs n PHE 762 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1kfs h GLY 763 N 1.92 0.05 1.53 1.37 0.00 0.28 -3.21 103.07 105.00 1kfs h GLY 763 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 1kfs h GLY 763 CO 0.00 0.10 -0.33 1.41 0.00 0.00 0.00 176.54 177.72 1kfs h LEU 764 N 0.01 0.55 -0.71 3.11 3.38 0.07 0.90 115.31 122.62 1kfs h LEU 764 Ca -0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1kfs h LEU 764 Cb 1.81 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.37 1kfs h LEU 764 CO 0.14 0.85 0.40 0.40 0.09 0.00 0.00 178.44 180.32 1kfs h ILE 765 N 0.45 1.21 -0.41 1.22 2.04 -1.54 -1.28 117.51 119.21 1kfs h ILE 765 Ca 0.05 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1kfs h ILE 765 Cb 0.80 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1kfs h ILE 765 CO 0.07 0.23 0.00 -1.22 0.00 0.00 0.00 178.15 177.23 1kfs n TYR 766 N -4.50 0.84 -3.13 1.37 4.01 -1.19 -3.54 117.16 111.03 1kfs n TYR 766 Ca 0.06 -0.35 -0.21 0.00 -0.16 0.00 0.00 57.90 57.24 1kfs n TYR 766 Cb 0.08 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 1kfs n TYR 766 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kfs n GLY 767 N 0.90 -0.50 3.77 2.72 0.00 -0.48 -4.88 105.19 106.72 1kfs n GLY 767 Ca 0.16 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 1kfs n GLY 767 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kfs s MET 768 N -5.78 3.57 0.58 1.61 -1.94 0.27 -4.83 119.30 112.78 1kfs s MET 768 Ca 0.31 1.73 -0.16 0.00 -1.71 0.00 0.00 55.69 55.86 1kfs s MET 768 Cb -0.16 -2.24 -0.04 0.00 2.01 0.00 0.00 34.83 34.40 1kfs s MET 768 CO 0.38 -0.70 1.05 -1.54 -0.01 0.00 0.00 175.02 174.20 1kfs s SER 769 N -1.50 5.93 0.52 3.03 1.04 -1.26 -4.82 113.70 116.64 1kfs s SER 769 Ca 0.68 1.78 0.23 0.00 0.48 0.00 0.00 55.95 59.12 1kfs s SER 769 Cb -0.27 -2.53 1.34 0.00 0.10 0.00 0.00 66.02 64.66 1kfs s SER 769 CO 0.32 -1.06 2.01 0.00 0.98 0.00 0.00 173.24 175.49 1kfs h ALA 770 N 0.55 2.39 -0.08 5.32 0.00 -1.96 0.27 119.26 125.74 1kfs h ALA 770 Ca -0.47 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 1kfs h ALA 770 Cb 1.21 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.04 1kfs h ALA 770 CO 0.58 -0.52 -0.88 0.74 0.00 0.00 0.00 179.25 179.17 1kfs h PHE 771 N 0.04 1.05 -0.80 0.00 0.04 -1.95 -2.25 116.94 113.07 1kfs h PHE 771 Ca 0.22 -0.51 -0.02 0.00 2.80 0.00 0.00 57.97 60.47 1kfs h PHE 771 Cb 0.84 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.81 1kfs h PHE 771 CO -0.00 1.34 0.42 0.78 -0.60 0.00 0.00 178.31 180.25 1kfs h GLY 772 N 0.45 1.21 1.00 -1.45 0.00 -0.95 -1.06 103.07 102.28 1kfs h GLY 772 Ca -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1kfs h GLY 772 CO 0.18 0.54 0.31 -2.00 0.00 0.00 0.00 176.54 175.57 1kfs h LEU 773 N 1.12 0.56 -1.05 3.11 6.46 -0.85 -1.87 115.31 122.79 1kfs h LEU 773 Ca 0.28 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 58.02 1kfs h LEU 773 Cb 0.06 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 39.81 1kfs h LEU 773 CO -0.04 0.41 0.62 0.00 -0.62 0.00 0.00 178.44 178.81 1kfs h ALA 774 N 1.17 1.30 0.00 1.25 0.00 -0.85 0.39 119.26 122.52 1kfs h ALA 774 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1kfs h ALA 774 Cb -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.34 1kfs h ALA 774 CO -0.04 0.64 0.00 0.54 0.00 0.00 0.00 179.25 180.39 1kfs n ARG 775 N -4.38 0.20 -0.01 0.00 1.74 -0.45 -0.52 116.66 113.24 1kfs n ARG 775 Ca 0.11 0.46 0.08 0.00 -0.77 0.00 0.00 57.85 57.73 1kfs n ARG 775 Cb 0.02 -1.90 -0.12 0.00 -1.02 0.00 0.00 32.46 29.44 1kfs n ARG 775 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1kfs n GLN 776 N -2.28 0.51 -0.00 5.56 1.13 -0.67 -4.47 117.38 117.16 1kfs n GLN 776 Ca 0.01 -0.14 0.10 0.00 -1.94 0.00 0.00 57.00 55.03 1kfs n GLN 776 Cb 0.20 -1.37 -0.12 0.00 0.11 0.00 0.00 30.24 29.06 1kfs n GLN 776 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1kfs n LEU 777 N -2.03 0.79 -3.17 1.08 7.94 0.04 -5.00 117.00 116.65 1kfs n LEU 777 Ca -0.03 -0.41 -0.19 0.00 -1.11 0.00 0.00 56.01 54.27 1kfs n LEU 777 Cb 0.41 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.43 1kfs n LEU 777 CO 0.33 0.20 0.19 0.59 -1.11 0.00 0.00 177.39 177.59 1kfs n ASN 778 N -1.61 -4.85 -4.47 1.96 3.02 0.33 -5.03 115.26 104.60 1kfs n ASN 778 Ca 0.03 -0.49 -0.24 0.00 -0.03 0.00 0.00 54.58 53.85 1kfs n ASN 778 Cb 0.36 -4.46 -0.10 0.00 -0.61 0.00 0.00 39.78 34.96 1kfs n ASN 778 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1kfs s ILE 779 N -3.29 1.30 0.52 2.41 -4.36 -1.15 -5.09 121.20 111.54 1kfs s ILE 779 Ca 0.38 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.61 1kfs s ILE 779 Cb -0.17 -2.78 -0.08 0.00 1.25 0.00 0.00 42.46 40.69 1kfs s ILE 779 CO 0.63 0.00 0.99 -2.84 0.24 0.00 0.00 174.94 173.97 1kfs s PRO 780 N -3.84 3.90 0.91 0.37 0.02 -1.26 -4.67 135.00 130.42 1kfs s PRO 780 Ca 0.34 0.97 -0.11 0.00 0.02 0.00 0.00 61.00 62.23 1kfs s PRO 780 Cb 0.08 -2.13 0.12 0.00 0.02 0.00 0.00 34.50 32.60 1kfs s PRO 780 CO 0.15 -0.32 1.02 0.54 -0.33 0.00 0.00 177.00 178.06 1kfs n ARG 781 N -1.62 -0.38 -0.04 5.54 1.74 -1.26 -2.45 116.66 118.18 1kfs n ARG 781 Ca 0.07 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1kfs n ARG 781 Cb 0.54 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 1kfs n ARG 781 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kfs n LYS 782 N -3.70 0.00 -0.07 5.56 4.01 -1.26 -4.47 118.16 118.23 1kfs n LYS 782 Ca 0.11 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.74 1kfs n LYS 782 Cb 0.52 -3.19 -0.13 0.00 -0.51 0.00 0.00 35.03 31.71 1kfs n LYS 782 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1kfs n GLU 783 N -2.00 0.69 -0.12 1.97 4.07 -1.03 -2.53 120.64 121.70 1kfs n GLU 783 Ca 0.00 0.18 -0.13 0.00 -0.06 0.00 0.00 57.16 57.14 1kfs n GLU 783 Cb 0.00 -1.61 -0.02 0.00 -0.06 0.00 0.00 31.44 29.75 1kfs n GLU 783 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1kfs h ALA 784 N 0.27 0.56 -0.57 4.31 0.00 -1.75 -1.68 119.26 120.40 1kfs h ALA 784 Ca -0.50 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 53.93 1kfs h ALA 784 Cb 2.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 1kfs h ALA 784 CO 0.00 0.68 0.27 0.37 0.00 0.00 0.00 179.25 180.57 1kfs h GLN 785 N 0.76 0.80 -0.54 0.00 5.75 -1.79 -0.98 115.11 119.11 1kfs h GLN 785 Ca 0.06 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1kfs h GLN 785 Cb 1.01 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 1kfs h GLN 785 CO 0.10 0.62 0.13 -0.22 -2.65 0.00 0.00 178.83 176.81 1kfs h LYS 786 N 0.80 0.87 -0.51 1.69 3.64 -1.08 -1.05 116.57 120.92 1kfs h LYS 786 Ca 0.20 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1kfs h LYS 786 Cb 0.09 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1kfs h LYS 786 CO -0.03 0.82 -0.07 1.88 -2.27 0.00 0.00 179.45 179.79 1kfs h TYR 787 N 0.77 0.99 -0.13 1.91 0.05 -0.67 -2.47 116.97 117.42 1kfs h TYR 787 Ca 0.17 -0.18 -0.13 0.00 0.05 0.00 0.00 58.73 58.64 1kfs h TYR 787 Cb 0.34 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1kfs h TYR 787 CO 0.02 0.93 -0.48 0.52 -1.05 0.00 0.00 178.16 178.10 1kfs h MET 788 N 0.82 0.33 -0.09 4.88 2.86 -0.93 -1.97 114.93 120.82 1kfs h MET 788 Ca 0.14 -0.18 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 1kfs h MET 788 Cb 0.58 0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.26 1kfs h MET 788 CO 0.04 0.74 -0.82 -0.44 1.06 0.00 0.00 176.91 177.48 1kfs h ASP 789 N 0.26 0.75 -0.08 1.22 3.32 -1.13 -2.48 116.42 118.27 1kfs h ASP 789 Ca 0.01 -0.52 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 1kfs h ASP 789 Cb 0.95 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1kfs h ASP 789 CO 0.08 1.30 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.64 1kfs h LEU 790 N 0.40 0.47 0.27 1.55 3.38 -1.41 -1.97 115.31 118.00 1kfs h LEU 790 Ca -0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1kfs h LEU 790 Cb 1.44 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1kfs h LEU 790 CO 0.16 0.68 -0.13 0.22 0.09 0.00 0.00 178.44 179.46 1kfs h TYR 791 N 0.43 -0.33 -0.17 1.13 5.03 -1.29 -2.47 116.97 119.31 1kfs h TYR 791 Ca 0.07 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 1kfs h TYR 791 Cb 0.59 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.97 1kfs h TYR 791 CO 0.02 -0.01 0.06 0.74 -1.32 0.00 0.00 178.16 177.64 1kfs h PHE 792 N -0.67 0.23 -0.42 -3.82 0.04 -1.37 1.07 116.94 112.00 1kfs h PHE 792 Ca -0.04 -0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 1kfs h PHE 792 Cb 0.47 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 1kfs h PHE 792 CO 0.02 0.20 -0.17 1.49 -0.60 0.00 0.00 178.31 179.25 1kfs h GLU 793 N 0.24 0.86 0.06 1.51 4.81 -1.36 -0.78 114.58 119.92 1kfs h GLU 793 Ca 0.06 -0.36 -0.24 0.00 -0.13 0.00 0.00 59.36 58.69 1kfs h GLU 793 Cb 0.07 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1kfs h GLU 793 CO -0.01 1.00 -1.12 -0.09 -0.73 0.00 0.00 179.01 178.07 1kfs h ARG 794 N 0.68 0.12 -2.55 1.92 9.65 -0.79 -3.37 114.38 120.04 1kfs h ARG 794 Ca 0.10 -0.20 -0.60 0.00 -1.10 0.00 0.00 59.98 58.17 1kfs h ARG 794 Cb 0.72 0.08 -0.41 0.00 -1.39 0.00 0.00 29.97 28.97 1kfs h ARG 794 CO 0.06 1.09 -0.68 0.66 2.80 0.00 0.00 179.97 183.90 1kfs n TYR 795 N -3.43 2.61 -0.05 2.20 4.01 0.36 -4.92 117.16 117.94 1kfs n TYR 795 Ca -0.04 -4.07 -0.01 0.00 -0.16 0.00 0.00 57.90 53.61 1kfs n TYR 795 Cb 0.98 -0.48 0.25 0.00 -0.31 0.00 0.00 39.34 39.78 1kfs n TYR 795 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1kfs h PRO 796 N 4.80 0.64 -0.37 -0.72 0.13 -1.31 -3.03 132.00 132.13 1kfs h PRO 796 Ca 0.17 -0.14 0.08 0.00 -0.87 0.00 0.00 66.00 65.25 1kfs h PRO 796 Cb 0.75 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 1kfs h PRO 796 CO 0.70 0.64 0.26 0.78 -0.23 0.00 0.00 178.00 180.15 1kfs h GLY 797 N 0.89 0.18 1.58 1.56 0.00 -1.84 -2.19 103.07 103.24 1kfs h GLY 797 Ca 0.13 -0.06 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 1kfs h GLY 797 CO 0.01 0.04 -0.82 -2.08 0.00 0.00 0.00 176.54 173.69 1kfs h VAL 798 N 0.14 1.39 -0.22 4.60 2.07 -1.73 -1.72 116.25 120.78 1kfs h VAL 798 Ca 0.17 -2.29 -0.09 0.00 0.82 0.00 0.00 66.70 65.32 1kfs h VAL 798 Cb 0.51 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1kfs h VAL 798 CO -0.02 0.68 -0.21 0.25 0.02 0.00 0.00 177.57 178.29 1kfs h LEU 799 N 0.25 0.57 -1.24 2.57 6.46 -1.54 -1.04 115.31 121.34 1kfs h LEU 799 Ca -0.05 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.24 1kfs h LEU 799 Cb 1.42 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 41.16 1kfs h LEU 799 CO 0.14 0.92 0.45 -0.33 -0.62 0.00 0.00 178.44 179.00 1kfs h GLU 800 N 0.22 0.96 -0.29 1.25 5.08 -1.42 0.98 114.58 121.37 1kfs h GLU 800 Ca 0.04 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1kfs h GLU 800 Cb 0.76 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1kfs h GLU 800 CO 0.05 0.66 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.71 1kfs h TYR 801 N 0.99 0.65 -0.83 4.33 3.20 -1.16 -1.14 116.97 123.00 1kfs h TYR 801 Ca 0.26 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1kfs h TYR 801 Cb -0.07 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 1kfs h TYR 801 CO 0.00 0.78 0.41 0.52 -1.64 0.00 0.00 178.16 178.23 1kfs h MET 802 N 0.32 1.19 -0.12 1.82 2.86 -0.48 -1.00 114.93 119.53 1kfs h MET 802 Ca 0.07 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 1kfs h MET 802 Cb 0.59 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1kfs h MET 802 CO 0.03 0.91 -0.41 0.93 1.06 0.00 0.00 176.91 179.43 1kfs h GLU 803 N 1.19 0.49 -0.48 1.72 5.08 -0.76 -2.73 114.58 119.09 1kfs h GLU 803 Ca 0.29 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1kfs h GLU 803 Cb 0.11 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1kfs h GLU 803 CO -0.04 0.99 0.28 -0.09 -1.00 0.00 0.00 179.01 179.15 1kfs h ARG 804 N 0.09 0.64 -0.14 2.33 2.43 -1.05 -1.67 114.38 117.01 1kfs h ARG 804 Ca -0.02 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 1kfs h ARG 804 Cb 1.04 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1kfs h ARG 804 CO 0.09 0.46 -0.53 1.15 -1.51 0.00 0.00 179.97 179.63 1kfs h THR 805 N 0.65 1.34 0.00 0.20 2.02 -1.18 -2.37 112.91 113.57 1kfs h THR 805 Ca 0.17 -1.80 -0.05 0.00 0.77 0.00 0.00 66.41 65.51 1kfs h THR 805 Cb -0.01 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1kfs h THR 805 CO -0.03 0.55 -0.22 0.03 0.37 0.00 0.00 175.52 176.22 1kfs h ARG 806 N 0.26 0.00 0.24 6.66 3.08 -1.23 -2.11 114.38 121.28 1kfs h ARG 806 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1kfs h ARG 806 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1kfs h ARG 806 CO 0.11 0.22 -0.12 0.00 -1.07 0.00 0.00 179.97 179.12 1kfs h ALA 807 N 1.78 -0.83 -0.04 0.04 0.00 -1.13 -2.83 119.26 116.25 1kfs h ALA 807 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1kfs h ALA 807 Cb 0.61 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1kfs h ALA 807 CO 0.03 -0.80 0.05 -0.56 0.00 0.00 0.00 179.25 177.96 1kfs h GLN 808 N -0.41 0.00 -0.74 0.00 3.07 -1.47 -0.00 115.11 115.57 1kfs h GLN 808 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.66 1kfs h GLN 808 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.78 1kfs h GLN 808 CO 0.05 0.00 0.27 0.00 0.09 0.00 0.00 178.83 179.25 1kfs h ALA 809 N 1.94 1.09 0.01 0.06 0.00 -1.30 0.33 119.26 121.40 1kfs h ALA 809 Ca 0.02 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.51 1kfs h ALA 809 Cb 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1kfs h ALA 809 CO -0.00 0.64 -1.07 0.87 0.00 0.00 0.00 179.25 179.69 1kfs h LYS 810 N 1.08 0.03 0.20 0.00 1.57 -0.79 -0.69 116.57 117.96 1kfs h LYS 810 Ca 0.24 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1kfs h LYS 810 Cb 0.23 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1kfs h LYS 810 CO -0.02 0.99 -0.10 1.49 -0.57 0.00 0.00 179.45 181.25 1kfs h GLU 811 N 0.01 -0.26 -0.01 3.15 4.57 -0.98 -3.37 114.58 117.68 1kfs h GLU 811 Ca -0.04 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1kfs h GLU 811 Cb 1.80 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.45 1kfs h GLU 811 CO 0.13 0.13 -0.33 0.00 -1.18 0.00 0.00 179.01 177.76 1kfs n GLN 812 N -5.00 1.56 -0.99 1.92 10.64 0.08 -5.00 117.38 120.59 1kfs n GLN 812 Ca -0.08 -0.96 0.00 0.00 -1.83 0.00 0.00 57.00 54.12 1kfs n GLN 812 Cb 0.26 -1.34 0.00 0.00 -0.86 0.00 0.00 30.24 28.30 1kfs n GLN 812 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1kfs n GLY 813 N 1.21 0.50 3.50 2.61 0.00 -0.27 -5.00 105.19 107.75 1kfs n GLY 813 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1kfs n GLY 813 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kfs s TYR 814 N -2.13 -0.46 0.21 1.61 -0.85 -1.23 -0.58 117.35 113.92 1kfs s TYR 814 Ca 0.00 0.22 0.10 0.00 -0.52 0.00 0.00 57.07 56.87 1kfs s TYR 814 Cb 0.00 0.58 -0.05 0.00 0.38 0.00 0.00 41.96 42.88 1kfs s TYR 814 CO 0.00 -0.89 -0.20 0.14 -1.52 0.00 0.00 175.55 173.08 1kfs s VAL 815 N -3.72 2.15 0.27 -3.49 -7.23 -0.71 -4.34 120.40 103.33 1kfs s VAL 815 Ca 0.03 -2.12 0.09 0.00 -1.81 0.00 0.00 61.98 58.17 1kfs s VAL 815 Cb -0.02 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 1kfs s VAL 815 CO -0.09 -0.31 -0.12 -1.61 -0.31 0.00 0.00 175.10 172.65 1kfs s GLU 816 N -3.05 1.58 0.60 4.82 2.02 -1.26 -1.64 118.70 121.78 1kfs s GLU 816 Ca 0.22 -1.76 0.05 0.00 0.02 0.00 0.00 54.97 53.50 1kfs s GLU 816 Cb -0.06 -1.41 0.09 0.00 0.10 0.00 0.00 34.13 32.85 1kfs s GLU 816 CO 0.10 0.17 0.83 0.95 0.02 0.00 0.00 175.26 177.32 1kfs s THR 817 N -2.80 2.29 0.51 3.63 -4.23 -0.09 -4.53 115.64 110.43 1kfs s THR 817 Ca 0.28 -0.84 0.18 0.00 -1.18 0.00 0.00 61.69 60.14 1kfs s THR 817 Cb 0.00 -2.46 0.27 0.00 1.34 0.00 0.00 72.50 71.65 1kfs s THR 817 CO 0.12 0.00 2.13 -0.07 -0.54 0.00 0.00 174.62 176.27 1kfs h LEU 818 N -0.01 0.00 -0.14 4.79 4.07 -1.91 -1.93 115.31 120.18 1kfs h LEU 818 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1kfs h LEU 818 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1kfs h LEU 818 CO 0.42 0.04 -0.37 0.47 -1.08 0.00 0.00 178.44 177.92 1kfs n ASP 819 N -4.36 0.59 0.00 -0.43 8.00 -1.26 -4.94 116.55 114.16 1kfs n ASP 819 Ca -0.03 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.09 1kfs n ASP 819 Cb 0.12 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1kfs n ASP 819 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kfs n GLY 820 N 1.44 0.71 3.77 0.44 0.00 -0.73 -4.39 105.19 106.44 1kfs n GLY 820 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1kfs n GLY 820 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kfs s ARG 821 N -0.56 4.22 0.01 1.61 3.52 -1.26 -3.25 118.95 123.24 1kfs s ARG 821 Ca 0.00 2.40 0.05 0.00 -0.13 0.00 0.00 55.73 58.06 1kfs s ARG 821 Cb 0.00 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 1kfs s ARG 821 CO 0.00 -0.40 -0.14 1.03 -0.81 0.00 0.00 175.30 174.97 1kfs s ARG 822 N -1.58 2.29 -0.22 5.12 0.52 -1.26 -0.91 118.95 122.91 1kfs s ARG 822 Ca 0.53 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1kfs s ARG 822 Cb -0.43 -2.31 0.04 0.00 0.52 0.00 0.00 34.95 32.77 1kfs s ARG 822 CO 0.55 0.57 -0.14 -1.17 0.02 0.00 0.00 175.30 175.14 1kfs s LEU 823 N -1.27 2.73 0.04 2.53 2.96 -0.65 -4.61 118.68 120.41 1kfs s LEU 823 Ca 0.15 -1.03 -0.27 0.00 -0.22 0.00 0.00 54.13 52.75 1kfs s LEU 823 Cb -0.11 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 1kfs s LEU 823 CO 0.05 -0.12 0.86 -0.31 -1.32 0.00 0.00 176.35 175.50 1kfs s TYR 824 N 1.24 3.72 -0.65 5.38 1.51 -1.26 -1.73 117.35 125.55 1kfs s TYR 824 Ca -0.03 1.58 0.01 0.00 -1.01 0.00 0.00 57.07 57.63 1kfs s TYR 824 Cb -0.17 -2.95 0.16 0.00 -0.11 0.00 0.00 41.96 38.90 1kfs s TYR 824 CO -0.08 0.17 0.44 -0.51 -1.11 0.00 0.00 175.55 174.46 1kfs s LEU 825 N 0.30 4.87 0.48 -1.29 1.43 0.26 -4.94 118.68 119.78 1kfs s LEU 825 Ca 0.44 -3.26 0.22 0.00 -1.03 0.00 0.00 54.13 50.49 1kfs s LEU 825 Cb -0.21 -1.74 1.20 0.00 0.03 0.00 0.00 46.19 45.47 1kfs s LEU 825 CO 0.25 -0.23 2.00 1.55 0.23 0.00 0.00 176.35 180.16 1kfs h PRO 826 N 6.33 0.00 -0.64 1.29 0.13 -1.96 -2.90 132.00 134.25 1kfs h PRO 826 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1kfs h PRO 826 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1kfs h PRO 826 CO 0.73 0.18 0.00 -0.25 -0.23 0.00 0.00 178.00 178.43 1kfs n ASP 827 N -3.88 4.88 0.30 1.44 8.00 -1.26 -4.41 116.55 121.62 1kfs n ASP 827 Ca -0.02 -2.65 0.17 0.00 0.71 0.00 0.00 54.79 53.00 1kfs n ASP 827 Cb 0.27 -0.62 0.91 0.00 -0.02 0.00 0.00 41.12 41.67 1kfs n ASP 827 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1kfs h ILE 828 N 3.65 0.27 0.00 0.53 6.09 -1.83 -1.53 117.51 124.69 1kfs h ILE 828 Ca 0.00 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 1kfs h ILE 828 Cb 1.63 1.21 0.00 0.00 0.47 0.00 0.00 36.82 40.13 1kfs h ILE 828 CO 0.35 0.04 -0.05 0.29 -3.07 0.00 0.00 178.15 175.71 1kfs n LYS 829 N -3.38 1.71 -0.34 2.19 5.02 -1.26 -4.90 118.16 117.20 1kfs n LYS 829 Ca -0.02 -1.58 0.26 0.00 -2.02 0.00 0.00 58.31 54.95 1kfs n LYS 829 Cb 0.17 -1.00 0.42 0.00 -0.02 0.00 0.00 35.03 34.60 1kfs n LYS 829 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kfs n SER 830 N -0.63 0.05 0.00 4.39 2.88 -0.58 -4.73 113.62 115.01 1kfs n SER 830 Ca 0.04 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1kfs n SER 830 Cb 0.45 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1kfs n SER 830 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1kfs n SER 831 N -3.32 0.00 -4.70 -3.46 3.41 -1.26 -4.92 113.62 99.36 1kfs n SER 831 Ca 0.23 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.42 1kfs n SER 831 Cb 1.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.92 1kfs n SER 831 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1kfs s ASN 832 N 0.01 6.72 0.06 4.04 3.84 -1.26 -4.93 114.94 123.43 1kfs s ASN 832 Ca 0.00 2.38 -0.25 0.00 0.21 0.00 0.00 52.86 55.20 1kfs s ASN 832 Cb 0.00 -2.57 -0.17 0.00 -0.55 0.00 0.00 41.25 37.96 1kfs s ASN 832 CO 0.00 -0.77 1.60 1.23 -2.79 0.00 0.00 177.10 176.37 1kfs h GLY 833 N 7.71 -0.17 0.87 1.21 0.00 -1.98 -2.11 103.07 108.60 1kfs h GLY 833 Ca -0.41 0.06 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1kfs h GLY 833 CO 0.90 -0.06 -0.03 0.00 0.00 0.00 0.00 176.54 177.35 1kfs h ALA 834 N 0.59 0.00 -0.57 3.60 0.00 -1.99 0.04 119.26 120.94 1kfs h ALA 834 Ca -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1kfs h ALA 834 Cb 0.22 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1kfs h ALA 834 CO 0.03 -0.51 0.11 0.00 0.00 0.00 0.00 179.25 178.87 1kfs h ARG 835 N -0.04 0.94 0.00 0.00 3.08 -1.93 -0.97 114.38 115.45 1kfs h ARG 835 Ca 0.03 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 1kfs h ARG 835 Cb 0.08 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1kfs h ARG 835 CO -0.06 0.89 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.62 1kfs h ARG 836 N 0.83 0.00 -0.02 0.04 2.43 -1.26 -1.02 114.38 115.38 1kfs h ARG 836 Ca 0.18 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1kfs h ARG 836 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1kfs h ARG 836 CO 0.01 0.01 -0.07 0.00 -1.51 0.00 0.00 179.97 178.41 1kfs h ALA 837 N 1.99 0.03 -0.64 2.80 0.00 -0.37 -2.51 119.26 120.55 1kfs h ALA 837 Ca -0.00 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1kfs h ALA 837 Cb 0.60 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1kfs h ALA 837 CO 0.00 -0.09 0.39 0.00 0.00 0.00 0.00 179.25 179.55 1kfs h ALA 838 N 0.37 0.83 0.00 0.00 0.00 -1.01 -1.17 119.26 118.29 1kfs h ALA 838 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1kfs h ALA 838 Cb 0.72 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1kfs h ALA 838 CO 0.01 0.14 -0.00 0.00 0.00 0.00 0.00 179.25 179.41 1kfs h ALA 839 N 1.28 1.00 0.00 0.00 0.00 -1.18 0.25 119.26 120.62 1kfs h ALA 839 Ca 0.26 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.90 1kfs h ALA 839 Cb 0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1kfs h ALA 839 CO -0.11 0.00 -1.55 0.93 0.00 0.00 0.00 179.25 178.53 1kfs h GLU 840 N 0.00 0.00 -0.14 0.00 5.08 -0.78 -2.90 114.58 115.84 1kfs h GLU 840 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1kfs h GLU 840 Cb 0.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1kfs h GLU 840 CO 0.00 0.60 -0.69 0.00 -1.00 0.00 0.00 179.01 177.92 1kfs h ARG 841 N 0.00 0.71 -0.43 2.33 3.08 -0.54 -3.00 114.38 116.53 1kfs h ARG 841 Ca -0.22 -0.58 -0.01 0.00 0.07 0.00 0.00 59.98 59.24 1kfs h ARG 841 Cb 1.95 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 32.11 1kfs h ARG 841 CO 0.09 1.20 0.23 0.00 -1.07 0.00 0.00 179.97 180.42 1kfs h ALA 842 N 0.52 1.60 -0.63 0.04 0.00 -1.08 -1.08 119.26 118.64 1kfs h ALA 842 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1kfs h ALA 842 Cb 1.33 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1kfs h ALA 842 CO 0.14 0.33 0.35 0.00 0.00 0.00 0.00 179.25 180.08 1kfs h ALA 843 N 1.67 0.81 0.04 0.00 0.00 -1.38 -0.05 119.26 120.35 1kfs h ALA 843 Ca 0.15 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 1kfs h ALA 843 Cb 0.02 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.58 1kfs h ALA 843 CO -0.03 0.32 -0.95 0.82 0.00 0.00 0.00 179.25 179.41 1kfs h ILE 844 N 0.86 1.33 0.03 0.00 2.04 -1.34 -3.39 117.51 117.04 1kfs h ILE 844 Ca 0.22 -2.26 -0.00 0.00 1.00 0.00 0.00 64.86 63.82 1kfs h ILE 844 Cb 0.03 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1kfs h ILE 844 CO -0.04 0.68 -0.02 -1.13 0.00 0.00 0.00 178.15 177.65 1kfs h ASN 845 N 0.18 -0.04 -0.77 1.72 -0.73 -1.12 -3.37 115.58 111.45 1kfs h ASN 845 Ca -0.13 -0.57 0.18 0.00 1.87 0.00 0.00 56.30 57.66 1kfs h ASN 845 Cb 1.63 0.01 -0.13 0.00 0.27 0.00 0.00 38.32 40.11 1kfs h ASN 845 CO 0.19 0.57 0.10 0.00 -0.37 0.00 0.00 177.43 177.92 1kfs h ALA 846 N 0.24 0.93 -0.22 1.57 0.00 -1.19 -0.74 119.26 119.85 1kfs h ALA 846 Ca -0.00 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1kfs h ALA 846 Cb 0.60 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1kfs h ALA 846 CO 0.01 -0.41 0.15 -1.35 0.00 0.00 0.00 179.25 177.65 1kfs h PRO 847 N 0.17 0.20 0.13 0.00 0.11 -1.75 0.32 132.00 131.18 1kfs h PRO 847 Ca 0.44 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 66.33 1kfs h PRO 847 Cb 0.80 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.88 1kfs h PRO 847 CO -0.62 0.13 -1.00 0.52 -0.21 0.00 0.00 178.00 176.82 1kfs h MET 848 N 0.21 0.29 -0.18 1.05 2.86 -1.35 -2.83 114.93 114.96 1kfs h MET 848 Ca 0.09 -0.49 -0.08 0.00 -2.06 0.00 0.00 59.70 57.16 1kfs h MET 848 Cb 0.12 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1kfs h MET 848 CO -0.02 1.23 -0.22 0.37 1.06 0.00 0.00 176.91 179.34 1kfs h GLN 849 N -0.35 0.47 -0.81 1.72 4.15 -1.23 -1.80 115.11 117.25 1kfs h GLN 849 Ca -0.19 -0.26 -0.04 0.00 0.77 0.00 0.00 58.65 58.93 1kfs h GLN 849 Cb 1.68 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 29.35 1kfs h GLN 849 CO 0.12 0.84 0.35 0.78 -1.93 0.00 0.00 178.83 179.00 1kfs h GLY 850 N 0.12 1.27 1.32 2.39 0.00 -0.48 0.05 103.07 107.74 1kfs h GLY 850 Ca 0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 1kfs h GLY 850 CO 0.05 0.63 -0.07 -0.84 0.00 0.00 0.00 176.54 176.31 1kfs h THR 851 N 1.16 1.25 -0.06 4.70 2.02 -1.45 0.47 112.91 121.00 1kfs h THR 851 Ca 0.27 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 1kfs h THR 851 Cb 0.17 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1kfs h THR 851 CO -0.03 0.39 0.02 0.00 0.37 0.00 0.00 175.52 176.27 1kfs h ALA 852 N 1.18 0.08 -0.59 6.16 0.00 -0.88 -1.75 119.26 123.45 1kfs h ALA 852 Ca 0.13 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1kfs h ALA 852 Cb 0.55 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1kfs h ALA 852 CO 0.03 -0.29 0.17 0.00 0.00 0.00 0.00 179.25 179.16 1kfs h ALA 853 N 0.81 0.73 -0.73 0.00 0.00 -0.67 0.07 119.26 119.47 1kfs h ALA 853 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1kfs h ALA 853 Cb 0.23 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1kfs h ALA 853 CO 0.00 -0.26 0.43 -0.44 0.00 0.00 0.00 179.25 178.99 1kfs h ASP 854 N 0.32 0.89 -0.54 0.00 3.32 -0.70 -1.27 116.42 118.43 1kfs h ASP 854 Ca 0.31 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 1kfs h ASP 854 Cb 0.42 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1kfs h ASP 854 CO -0.35 0.70 0.06 0.40 -1.72 0.00 0.00 179.24 178.33 1kfs h ILE 855 N 1.01 1.26 -0.51 0.35 2.04 -0.38 -1.40 117.51 119.88 1kfs h ILE 855 Ca 0.26 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 1kfs h ILE 855 Cb -0.02 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1kfs h ILE 855 CO -0.05 0.36 0.24 0.40 0.00 0.00 0.00 178.15 179.10 1kfs h ILE 856 N 0.80 1.20 -0.60 -0.67 2.04 -0.67 -0.71 117.51 118.90 1kfs h ILE 856 Ca 0.16 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 1kfs h ILE 856 Cb 0.45 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1kfs h ILE 856 CO 0.02 0.22 0.08 0.11 0.00 0.00 0.00 178.15 178.58 1kfs h LYS 857 N 0.68 1.00 -0.30 2.37 1.57 -1.11 -1.27 116.57 119.49 1kfs h LYS 857 Ca 0.17 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1kfs h LYS 857 Cb 0.13 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1kfs h LYS 857 CO -0.02 0.95 -0.06 0.00 -0.57 0.00 0.00 179.45 179.74 1kfs h ARG 858 N 0.90 0.49 -0.32 3.15 3.08 -0.98 -0.89 114.38 119.82 1kfs h ARG 858 Ca 0.18 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1kfs h ARG 858 Cb 0.44 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1kfs h ARG 858 CO 0.01 0.57 -0.19 0.00 -1.07 0.00 0.00 179.97 179.29 1kfs h ALA 859 N 1.47 0.46 -0.14 0.04 0.00 -0.63 -0.62 119.26 119.84 1kfs h ALA 859 Ca 0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1kfs h ALA 859 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1kfs h ALA 859 CO 0.02 0.39 0.09 0.52 0.00 0.00 0.00 179.25 180.27 1kfs h MET 860 N 0.46 0.20 -0.47 0.00 2.86 -0.85 0.43 114.93 117.56 1kfs h MET 860 Ca 0.07 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1kfs h MET 860 Cb 0.73 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 1kfs h MET 860 CO 0.05 0.17 0.30 0.82 1.06 0.00 0.00 176.91 179.31 1kfs h ILE 861 N 0.17 1.10 -0.40 -1.22 2.04 -1.15 0.14 117.51 118.19 1kfs h ILE 861 Ca 0.05 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 1kfs h ILE 861 Cb 0.02 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1kfs h ILE 861 CO -0.01 0.11 0.07 0.00 0.00 0.00 0.00 178.15 178.32 1kfs h ALA 862 N 1.18 0.54 -0.34 1.87 0.00 -0.51 -1.13 119.26 120.87 1kfs h ALA 862 Ca 0.18 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1kfs h ALA 862 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1kfs h ALA 862 CO -0.05 0.25 -0.33 0.28 0.00 0.00 0.00 179.25 179.40 1kfs h VAL 863 N 0.52 1.28 -0.46 0.00 2.07 -0.03 -2.78 116.25 116.85 1kfs h VAL 863 Ca 0.12 -1.48 -0.09 0.00 0.82 0.00 0.00 66.70 66.07 1kfs h VAL 863 Cb 0.37 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1kfs h VAL 863 CO 0.01 0.48 -0.08 -0.78 0.02 0.00 0.00 177.57 177.22 1kfs h ASP 864 N 0.63 0.80 -0.68 0.57 3.58 -0.58 -1.60 116.42 119.15 1kfs h ASP 864 Ca 0.07 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.24 1kfs h ASP 864 Cb 0.86 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 1kfs h ASP 864 CO 0.08 0.91 0.22 0.00 -2.88 0.00 0.00 179.24 177.57 1kfs h ALA 865 N 1.16 0.89 -0.23 -0.78 0.00 -1.09 0.15 119.26 119.35 1kfs h ALA 865 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1kfs h ALA 865 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1kfs h ALA 865 CO 0.03 0.55 0.05 2.35 0.00 0.00 0.00 179.25 182.23 1kfs h TRP 866 N 0.98 0.40 -0.46 0.00 7.01 -1.34 -0.30 115.95 122.25 1kfs h TRP 866 Ca 0.22 -0.05 0.07 0.00 2.11 0.00 0.00 58.89 61.24 1kfs h TRP 866 Cb 0.28 -0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 27.17 1kfs h TRP 866 CO 0.02 0.50 0.11 -0.07 -2.79 0.00 0.00 178.44 176.20 1kfs h LEU 867 N 0.20 0.04 -0.47 0.65 4.07 -0.95 0.33 115.31 119.17 1kfs h LEU 867 Ca 0.07 0.07 -0.10 0.00 0.08 0.00 0.00 57.88 58.00 1kfs h LEU 867 Cb 0.30 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1kfs h LEU 867 CO 0.00 0.05 -0.10 1.56 -1.08 0.00 0.00 178.44 178.87 1kfs h GLN 868 N 0.25 0.90 0.05 1.13 1.08 -0.57 0.13 115.11 118.09 1kfs h GLN 868 Ca 0.22 -0.34 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1kfs h GLN 868 Cb 0.28 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1kfs h GLN 868 CO -0.28 0.99 -0.03 0.00 -0.95 0.00 0.00 178.83 178.56 1kfs h ALA 869 N 0.88 -0.07 0.00 3.87 0.00 -0.62 -3.37 119.26 119.96 1kfs h ALA 869 Ca 0.12 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1kfs h ALA 869 Cb 0.65 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1kfs h ALA 869 CO 0.04 -0.18 -0.50 0.93 0.00 0.00 0.00 179.25 179.55 1kfs h GLU 870 N -0.80 0.00 -6.13 0.00 5.08 -0.44 -3.49 114.58 108.81 1kfs h GLU 870 Ca -0.01 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.92 1kfs h GLU 870 Cb 0.64 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.93 1kfs h GLU 870 CO 0.01 0.25 -0.80 0.94 -1.00 0.00 0.00 179.01 178.40 1kfs n GLN 871 N -3.08 -5.22 -1.23 2.33 -0.06 0.46 -4.98 117.38 105.59 1kfs n GLN 871 Ca 0.01 0.63 -0.30 0.00 -2.00 0.00 0.00 57.00 55.34 1kfs n GLN 871 Cb 0.65 -5.30 0.23 0.00 -4.06 0.00 0.00 30.24 21.77 1kfs n GLN 871 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1kfs s PRO 872 N -6.15 -0.97 -1.33 3.69 0.04 -1.26 -4.89 135.00 124.13 1kfs s PRO 872 Ca 0.20 -0.16 -0.08 0.00 0.04 0.00 0.00 61.00 61.00 1kfs s PRO 872 Cb -0.10 -1.63 0.12 0.00 0.04 0.00 0.00 34.50 32.93 1kfs s PRO 872 CO 0.81 -3.52 2.19 0.54 0.04 0.00 0.00 177.00 177.06 1kfs n ARG 873 N -4.61 4.02 -3.80 4.56 1.74 -1.26 -4.87 116.66 112.44 1kfs n ARG 873 Ca 0.14 -3.36 -0.12 0.00 -0.77 0.00 0.00 57.85 53.73 1kfs n ARG 873 Cb 0.60 -2.80 -0.10 0.00 -1.02 0.00 0.00 32.46 29.13 1kfs n ARG 873 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1kfs s VAL 874 N -0.04 0.05 -0.03 1.55 0.11 -1.26 -1.72 120.40 119.05 1kfs s VAL 874 Ca 0.48 -0.39 0.04 0.00 -2.93 0.00 0.00 61.98 59.18 1kfs s VAL 874 Cb 0.14 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1kfs s VAL 874 CO -0.05 -0.21 -0.15 -0.13 -3.33 0.00 0.00 175.10 171.23 1kfs s ARG 875 N -0.88 1.51 -0.40 1.54 0.52 -0.63 -4.97 118.95 115.64 1kfs s ARG 875 Ca -0.10 -0.53 -0.21 0.00 -0.52 0.00 0.00 55.73 54.38 1kfs s ARG 875 Cb -0.05 -1.35 0.01 0.00 0.52 0.00 0.00 34.95 34.08 1kfs s ARG 875 CO 0.02 0.22 0.67 1.41 0.02 0.00 0.00 175.30 177.64 1kfs s MET 876 N 0.03 3.49 -0.05 3.54 -2.45 -1.26 -1.30 119.30 121.30 1kfs s MET 876 Ca -0.02 -0.12 0.18 0.00 -1.25 0.00 0.00 55.69 54.48 1kfs s MET 876 Cb -0.10 -3.88 -0.28 0.00 1.25 0.00 0.00 34.83 31.82 1kfs s MET 876 CO 0.01 -0.90 0.36 0.44 1.05 0.00 0.00 175.02 175.98 1kfs n ILE 877 N 5.78 0.17 -3.78 10.11 -5.35 0.28 -4.49 119.36 122.08 1kfs n ILE 877 Ca -0.01 -0.47 -0.10 0.00 -0.27 0.00 0.00 62.75 61.91 1kfs n ILE 877 Cb 0.48 -0.01 -0.05 0.00 -1.74 0.00 0.00 39.64 38.31 1kfs n ILE 877 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 1kfs s MET 878 N -3.17 1.15 -0.08 6.28 -1.94 -1.02 -4.69 119.30 115.83 1kfs s MET 878 Ca -0.07 -0.91 -0.03 0.00 -1.71 0.00 0.00 55.69 52.97 1kfs s MET 878 Cb 0.11 0.44 0.04 0.00 2.01 0.00 0.00 34.83 37.44 1kfs s MET 878 CO 0.76 -0.45 0.13 -1.14 -0.01 0.00 0.00 175.02 174.32 1kfs s GLN 879 N -3.88 0.01 -0.08 2.03 -0.44 -1.26 -1.50 119.66 114.54 1kfs s GLN 879 Ca 0.09 0.46 -0.04 0.00 -2.50 0.00 0.00 55.36 53.37 1kfs s GLN 879 Cb 0.02 -0.46 0.04 0.00 -1.64 0.00 0.00 33.01 30.97 1kfs s GLN 879 CO -0.06 -0.35 0.19 0.54 0.50 0.00 0.00 175.29 176.11 1kfs s VAL 880 N 2.25 -0.09 0.00 1.34 0.11 -0.91 -4.97 120.40 118.13 1kfs s VAL 880 Ca 0.04 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 1kfs s VAL 880 Cb -0.12 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 1kfs s VAL 880 CO -0.05 0.08 0.00 1.41 -3.33 0.00 0.00 175.10 173.21 1kfs n HIS 881 N 4.42 0.00 -1.24 1.54 8.25 -1.26 -1.25 115.22 125.68 1kfs n HIS 881 Ca -0.22 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.08 1kfs n HIS 881 Cb 0.52 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.84 1kfs n HIS 881 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1kfs n ASP 882 N 5.38 3.69 -4.22 0.41 8.00 -1.26 -4.97 116.55 123.59 1kfs n ASP 882 Ca 0.00 -3.56 -0.19 0.00 0.71 0.00 0.00 54.79 51.75 1kfs n ASP 882 Cb 0.00 -0.77 -0.12 0.00 -0.02 0.00 0.00 41.12 40.21 1kfs n ASP 882 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1kfs s GLU 883 N -3.22 0.95 -0.08 -1.24 -1.05 -0.38 -1.44 118.70 112.25 1kfs s GLU 883 Ca 0.54 -1.10 0.02 0.00 -0.15 0.00 0.00 54.97 54.28 1kfs s GLU 883 Cb 0.45 -0.95 -0.02 0.00 -0.44 0.00 0.00 34.13 33.17 1kfs s GLU 883 CO 0.09 0.20 -0.14 -0.51 0.95 0.00 0.00 175.26 175.85 1kfs s LEU 884 N -2.04 2.72 -0.07 1.83 1.43 -0.01 -2.13 118.68 120.41 1kfs s LEU 884 Ca 0.04 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1kfs s LEU 884 Cb -0.08 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1kfs s LEU 884 CO 0.03 0.29 -0.21 -0.69 0.23 0.00 0.00 176.35 176.00 1kfs s VAL 885 N -0.38 2.41 0.30 -1.59 1.01 -0.56 -1.18 120.40 120.41 1kfs s VAL 885 Ca 0.04 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1kfs s VAL 885 Cb -0.12 -1.92 -0.06 0.00 0.00 0.00 0.00 36.38 34.28 1kfs s VAL 885 CO 0.02 0.57 0.02 -0.36 0.00 0.00 0.00 175.10 175.35 1kfs s PHE 886 N -0.18 1.93 -0.14 5.22 0.40 0.75 -0.56 117.98 125.40 1kfs s PHE 886 Ca -0.02 -0.87 0.01 0.00 -0.60 0.00 0.00 56.93 55.45 1kfs s PHE 886 Cb -0.14 -1.21 0.00 0.00 0.51 0.00 0.00 43.02 42.19 1kfs s PHE 886 CO 0.03 0.09 -0.18 -1.21 0.70 0.00 0.00 175.22 174.66 1kfs s GLU 887 N -3.84 3.14 0.02 0.44 2.02 -0.42 -0.84 118.70 119.22 1kfs s GLU 887 Ca 0.34 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.58 1kfs s GLU 887 Cb 0.07 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 1kfs s GLU 887 CO 0.14 0.03 -0.13 0.08 0.02 0.00 0.00 175.26 175.39 1kfs s VAL 888 N 0.76 1.00 0.22 2.63 1.01 -0.02 -1.61 120.40 124.40 1kfs s VAL 888 Ca -0.07 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 1kfs s VAL 888 Cb -0.16 -0.89 -0.10 0.00 0.00 0.00 0.00 36.38 35.24 1kfs s VAL 888 CO 0.00 0.10 1.41 -2.28 0.00 0.00 0.00 175.10 174.33 1kfs s HIS 889 N -0.62 3.10 0.43 5.22 2.46 -0.70 0.08 115.29 125.26 1kfs s HIS 889 Ca 0.02 1.05 0.21 0.00 0.47 0.00 0.00 55.06 56.82 1kfs s HIS 889 Cb -0.06 -3.76 1.18 0.00 -0.13 0.00 0.00 32.58 29.80 1kfs s HIS 889 CO 0.00 -2.48 1.81 1.57 -2.47 0.00 0.00 174.74 173.17 1kfs h LYS 890 N 5.32 0.31 -0.01 2.88 2.10 -1.57 0.24 116.57 125.83 1kfs h LYS 890 Ca -0.45 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1kfs h LYS 890 Cb 1.22 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1kfs h LYS 890 CO 0.79 0.21 0.00 -0.25 -2.00 0.00 0.00 179.45 178.20 1kfs n ASP 891 N -4.51 0.62 -0.01 7.07 8.00 -1.26 -3.70 116.55 122.75 1kfs n ASP 891 Ca 0.23 -1.24 0.01 0.00 0.71 0.00 0.00 54.79 54.50 1kfs n ASP 891 Cb 0.88 -0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.97 1kfs n ASP 891 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1kfs n ASP 892 N -0.50 0.36 -0.32 -2.24 8.00 0.79 -4.83 116.55 117.81 1kfs n ASP 892 Ca 0.21 -0.68 0.18 0.00 0.71 0.00 0.00 54.79 55.21 1kfs n ASP 892 Cb 0.21 0.70 0.38 0.00 -0.02 0.00 0.00 41.12 42.39 1kfs n ASP 892 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1kfs h VAL 893 N 0.07 0.28 0.44 2.53 2.07 -1.52 -1.50 116.25 118.62 1kfs h VAL 893 Ca 0.00 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1kfs h VAL 893 Cb 0.03 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1kfs h VAL 893 CO 0.00 0.04 -0.21 0.44 0.02 0.00 0.00 177.57 177.86 1kfs h ASP 894 N 0.24 -0.50 -0.38 0.57 3.32 -1.88 0.09 116.42 117.88 1kfs h ASP 894 Ca 0.64 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.59 1kfs h ASP 894 Cb 1.40 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 41.06 1kfs h ASP 894 CO -0.65 -0.14 0.23 0.00 -1.72 0.00 0.00 179.24 176.97 1kfs h ALA 895 N -0.53 0.49 -0.74 3.45 0.00 -1.87 -1.90 119.26 118.15 1kfs h ALA 895 Ca -0.06 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1kfs h ALA 895 Cb 0.57 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1kfs h ALA 895 CO 0.10 -0.03 0.48 0.28 0.00 0.00 0.00 179.25 180.09 1kfs h VAL 896 N 0.50 1.16 -0.70 0.00 2.07 -1.32 -0.91 116.25 117.05 1kfs h VAL 896 Ca 0.14 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1kfs h VAL 896 Cb -0.01 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 1kfs h VAL 896 CO -0.03 0.18 0.26 0.00 0.02 0.00 0.00 177.57 178.00 1kfs h ALA 897 N 1.29 0.91 -0.66 1.67 0.00 -0.74 0.67 119.26 122.40 1kfs h ALA 897 Ca 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1kfs h ALA 897 Cb -0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1kfs h ALA 897 CO -0.08 0.55 0.38 0.87 0.00 0.00 0.00 179.25 180.97 1kfs h LYS 898 N 1.01 0.92 0.15 0.00 1.57 -0.77 -2.07 116.57 117.37 1kfs h LYS 898 Ca 0.23 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1kfs h LYS 898 Cb 0.23 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1kfs h LYS 898 CO -0.02 0.68 -0.07 0.37 -0.57 0.00 0.00 179.45 179.84 1kfs h GLN 899 N 0.91 -0.20 -0.68 3.15 5.75 -0.54 -1.63 115.11 121.86 1kfs h GLN 899 Ca 0.24 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.83 1kfs h GLN 899 Cb 0.02 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 1kfs h GLN 899 CO -0.04 0.11 0.35 0.82 -2.65 0.00 0.00 178.83 177.42 1kfs h ILE 900 N -0.52 0.89 -0.12 2.39 1.08 -0.87 -1.28 117.51 119.08 1kfs h ILE 900 Ca -0.02 -0.21 0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1kfs h ILE 900 Cb 0.40 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 1kfs h ILE 900 CO 0.03 0.11 0.02 -0.74 -0.69 0.00 0.00 178.15 176.89 1kfs h HIS 901 N 0.62 0.04 -0.61 1.37 2.76 -1.30 -1.16 115.15 116.86 1kfs h HIS 901 Ca 0.33 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.41 1kfs h HIS 901 Cb 0.30 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 1kfs h HIS 901 CO -0.10 0.01 0.03 1.96 -1.30 0.00 0.00 177.93 178.53 1kfs h GLN 902 N 0.07 1.05 -0.20 5.26 4.20 -0.74 -2.70 115.11 122.04 1kfs h GLN 902 Ca 0.05 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 1kfs h GLN 902 Cb 0.04 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1kfs h GLN 902 CO -0.07 1.01 0.09 -0.07 -0.67 0.00 0.00 178.83 179.12 1kfs h LEU 903 N 0.97 0.28 -0.75 1.46 3.38 -1.02 -0.64 115.31 118.99 1kfs h LEU 903 Ca 0.18 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1kfs h LEU 903 Cb 0.52 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1kfs h LEU 903 CO 0.02 0.35 -0.32 0.24 0.09 0.00 0.00 178.44 178.82 1kfs h MET 904 N 0.19 0.59 -0.01 1.13 2.86 -1.17 -1.02 114.93 117.50 1kfs h MET 904 Ca 0.07 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1kfs h MET 904 Cb 0.15 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1kfs h MET 904 CO -0.01 0.83 -0.74 -0.85 1.06 0.00 0.00 176.91 177.21 1kfs n GLU 905 N -4.07 0.87 0.00 1.72 0.28 -1.02 -4.53 120.64 113.89 1kfs n GLU 905 Ca -0.01 -0.36 0.00 0.00 -0.16 0.00 0.00 57.16 56.63 1kfs n GLU 905 Cb 0.47 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 31.92 1kfs n GLU 905 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1kfs n ASN 906 N -0.93 0.76 -0.27 -1.84 3.02 -0.25 -4.74 115.26 111.01 1kfs n ASN 906 Ca 0.05 -0.94 0.07 0.00 -0.03 0.00 0.00 54.58 53.73 1kfs n ASN 906 Cb 0.35 0.08 0.12 0.00 -0.61 0.00 0.00 39.78 39.72 1kfs n ASN 906 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kfs n THR 908 N -1.05 0.00 -2.86 0.00 -1.04 -1.26 -4.84 114.28 103.24 1kfs n THR 908 Ca 0.13 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.73 1kfs n THR 908 Cb 0.68 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.14 1kfs n THR 908 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1kfs s ARG 909 N 3.87 4.60 0.00 -2.82 0.52 -1.26 -4.95 118.95 118.91 1kfs s ARG 909 Ca 0.00 1.26 0.26 0.00 -0.52 0.00 0.00 55.73 56.73 1kfs s ARG 909 Cb 0.00 -3.37 0.67 0.00 0.52 0.00 0.00 34.95 32.77 1kfs s ARG 909 CO 0.00 0.26 1.53 1.28 0.02 0.00 0.00 175.30 178.39 1kfs n LEU 910 N 2.74 2.14 -0.06 2.53 4.77 -1.26 -4.46 117.00 123.39 1kfs n LEU 910 Ca -0.00 -0.71 -0.22 0.00 -0.03 0.00 0.00 56.01 55.05 1kfs n LEU 910 Cb 0.50 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 1kfs n LEU 910 CO 0.49 0.36 -0.65 -0.90 -1.33 0.00 0.00 177.39 175.35 1kfs n ASP 911 N 0.66 1.97 -4.75 -1.43 5.75 -1.26 -4.89 116.55 112.60 1kfs n ASP 911 Ca 0.17 0.34 -0.41 0.00 -0.01 0.00 0.00 54.79 54.88 1kfs n ASP 911 Cb 0.46 -0.93 -0.04 0.00 -1.03 0.00 0.00 41.12 39.59 1kfs n ASP 911 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1kfs s VAL 912 N -2.44 3.46 -0.65 2.12 1.01 -1.26 -4.95 120.40 117.68 1kfs s VAL 912 Ca -0.27 1.31 -0.28 0.00 0.00 0.00 0.00 61.98 62.75 1kfs s VAL 912 Cb 0.06 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.63 1kfs s VAL 912 CO 0.66 0.25 1.27 -2.16 0.00 0.00 0.00 175.10 175.12 1kfs s PRO 913 N -0.73 3.34 0.06 2.72 0.04 -1.26 -4.99 135.00 134.17 1kfs s PRO 913 Ca 0.50 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1kfs s PRO 913 Cb -0.33 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.07 1kfs s PRO 913 CO 0.39 -1.93 0.19 -0.51 0.04 0.00 0.00 177.00 175.18 1kfs s LEU 914 N 5.49 4.27 -0.03 -3.56 1.43 -1.26 -4.89 118.68 120.13 1kfs s LEU 914 Ca 0.41 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.74 1kfs s LEU 914 Cb -0.08 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.32 1kfs s LEU 914 CO 0.21 0.18 0.04 -0.22 0.23 0.00 0.00 176.35 176.79 1kfs s LEU 915 N -2.43 0.70 -0.19 1.79 2.96 -1.26 -4.97 118.68 115.28 1kfs s LEU 915 Ca 0.33 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 1kfs s LEU 915 Cb -0.13 -0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.42 1kfs s LEU 915 CO 0.26 -0.18 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.40 1kfs s VAL 916 N 1.53 3.75 -0.35 1.68 1.01 -1.26 -1.45 120.40 125.31 1kfs s VAL 916 Ca -0.03 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1kfs s VAL 916 Cb -0.13 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1kfs s VAL 916 CO -0.03 0.44 0.34 -0.70 0.00 0.00 0.00 175.10 175.16 1kfs s GLU 917 N 0.94 3.51 -0.15 2.72 2.56 0.80 -4.89 118.70 124.19 1kfs s GLU 917 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 54.97 54.43 1kfs s GLU 917 Cb -0.14 -3.82 -0.04 0.00 2.00 0.00 0.00 34.13 32.13 1kfs s GLU 917 CO 0.01 -0.54 0.04 0.08 -0.56 0.00 0.00 175.26 174.30 1kfs s VAL 918 N 1.96 4.66 0.05 3.70 1.01 -1.26 -0.83 120.40 129.69 1kfs s VAL 918 Ca 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 1kfs s VAL 918 Cb -0.17 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1kfs s VAL 918 CO 0.12 0.52 -0.03 -0.83 0.00 0.00 0.00 175.10 174.87 1kfs s GLY 919 N -0.12 0.44 0.09 4.51 0.00 0.96 -4.98 107.32 108.23 1kfs s GLY 919 Ca 0.06 -1.07 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 1kfs s GLY 919 CO 0.01 -1.17 0.04 -1.35 0.00 0.00 0.00 173.10 170.63 1kfs s SER 920 N -2.56 0.37 -0.02 1.64 1.04 -1.26 0.24 113.70 113.15 1kfs s SER 920 Ca 0.02 -1.04 -0.11 0.00 0.48 0.00 0.00 55.95 55.30 1kfs s SER 920 Cb 0.03 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.45 1kfs s SER 920 CO -0.07 -0.67 0.48 0.61 0.98 0.00 0.00 173.24 174.56 1kfs n GLY 921 N 0.00 0.36 0.18 7.32 0.00 -0.57 -3.96 105.19 108.52 1kfs n GLY 921 Ca -0.11 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.10 1kfs n GLY 921 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kfs h GLU 922 N 0.00 0.00 -4.61 1.61 4.39 -1.91 -0.09 114.58 113.97 1kfs h GLU 922 Ca -0.07 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.37 1kfs h GLU 922 Cb 0.42 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.92 1kfs h GLU 922 CO 0.11 0.23 -0.60 0.54 -1.16 0.00 0.00 179.01 178.13 1kfs s ASN 923 N -6.31 0.31 0.36 1.42 2.20 -1.26 -2.24 114.94 109.42 1kfs s ASN 923 Ca 0.05 -1.42 0.04 0.00 -0.94 0.00 0.00 52.86 50.59 1kfs s ASN 923 Cb 0.06 0.40 0.69 0.00 -2.00 0.00 0.00 41.25 40.40 1kfs s ASN 923 CO 0.71 -0.87 2.01 -0.25 -2.94 0.00 0.00 177.10 175.76 1kfs h TRP 924 N 2.56 0.74 -0.67 1.54 7.01 -1.02 -1.96 115.95 124.15 1kfs h TRP 924 Ca -0.35 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.63 1kfs h TRP 924 Cb 1.25 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 28.03 1kfs h TRP 924 CO 0.49 0.46 0.27 0.22 -2.79 0.00 0.00 178.44 177.09 1kfs h ASP 925 N 0.79 0.93 -0.44 2.65 3.58 -1.81 -0.16 116.42 121.97 1kfs h ASP 925 Ca 0.23 -0.17 -0.14 0.00 0.42 0.00 0.00 57.03 57.37 1kfs h ASP 925 Cb -0.05 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 1kfs h ASP 925 CO -0.05 0.85 -0.26 1.56 -2.88 0.00 0.00 179.24 178.46 1kfs h GLN 926 N 0.96 0.96 -0.08 0.28 4.20 -1.77 -3.16 115.11 116.50 1kfs h GLN 926 Ca 0.22 -0.43 -0.17 0.00 0.06 0.00 0.00 58.65 58.33 1kfs h GLN 926 Cb 0.21 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1kfs h GLN 926 CO -0.02 1.10 -0.68 0.00 -0.67 0.00 0.00 178.83 178.56 1kfs h ALA 927 N 0.87 0.68 0.00 3.87 0.00 -1.24 -3.42 119.26 120.02 1kfs h ALA 927 Ca 0.10 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1kfs h ALA 927 Cb 0.84 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1kfs h ALA 927 CO 0.07 0.76 0.00 1.58 0.00 0.00 0.00 179.25 181.66