#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfd s ILE 325 N 0.00 0.00 0.00 1.55 2.07 -1.26 -5.17 121.20 118.39 1kfd s ILE 325 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1kfd s ILE 325 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1kfd s ILE 325 CO 0.00 0.00 0.00 -1.54 -1.91 0.00 0.00 174.94 171.49 1kfd n SER 326 N 1.44 0.00 0.23 4.50 3.41 -1.26 -5.05 113.62 116.89 1kfd n SER 326 Ca -0.09 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.64 1kfd n SER 326 Cb 0.57 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 65.15 1kfd n SER 326 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1kfd h TYR 327 N 0.00 0.00 0.00 7.33 0.05 -1.90 -2.51 116.97 119.93 1kfd h TYR 327 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1kfd h TYR 327 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1kfd h TYR 327 CO 0.00 0.00 -1.02 -0.25 -1.05 0.00 0.00 178.16 175.84 1kfd n ASP 328 N -2.44 0.62 -0.06 3.88 8.00 -1.26 -4.58 116.55 120.70 1kfd n ASP 328 Ca -0.02 -0.27 -0.09 0.00 0.71 0.00 0.00 54.79 55.13 1kfd n ASP 328 Cb 0.24 0.81 -0.08 0.00 -0.02 0.00 0.00 41.12 42.08 1kfd n ASP 328 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1kfd h ASN 329 N 0.00 0.00 -2.26 -2.24 4.21 -1.87 -3.47 115.58 109.94 1kfd h ASN 329 Ca 0.00 -0.57 -0.52 0.00 1.21 0.00 0.00 56.30 56.43 1kfd h ASN 329 Cb 0.71 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.85 1kfd h ASN 329 CO 0.00 0.82 -0.55 -0.31 -1.29 0.00 0.00 177.43 176.10 1kfd s TYR 330 N -1.97 3.06 -0.05 1.19 2.02 -1.26 -4.80 117.35 115.55 1kfd s TYR 330 Ca -0.12 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1kfd s TYR 330 Cb -0.01 -1.39 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1kfd s TYR 330 CO 0.41 0.53 -0.04 0.54 -1.57 0.00 0.00 175.55 175.42 1kfd s VAL 331 N -2.11 3.92 -0.21 0.71 0.11 -1.16 -4.90 120.40 116.76 1kfd s VAL 331 Ca 0.32 -0.50 -0.12 0.00 -2.93 0.00 0.00 61.98 58.75 1kfd s VAL 331 Cb -0.08 -2.66 -0.05 0.00 -1.53 0.00 0.00 36.38 32.06 1kfd s VAL 331 CO 0.24 0.52 0.22 -0.89 -3.33 0.00 0.00 175.10 171.86 1kfd s THR 332 N -0.91 5.33 -0.39 5.04 2.01 -1.26 -1.63 115.64 123.82 1kfd s THR 332 Ca 0.15 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.32 1kfd s THR 332 Cb -0.11 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.85 1kfd s THR 332 CO 0.04 0.35 0.41 -0.63 -0.69 0.00 0.00 174.62 174.10 1kfd s ILE 333 N 0.90 5.12 -1.00 1.82 1.01 0.43 -4.89 121.20 124.59 1kfd s ILE 333 Ca 0.11 -0.22 0.14 0.00 0.00 0.00 0.00 60.65 60.68 1kfd s ILE 333 Cb -0.13 -3.97 0.42 0.00 0.01 0.00 0.00 42.46 38.80 1kfd s ILE 333 CO 0.04 -0.31 1.35 0.18 0.00 0.00 0.00 174.94 176.20 1kfd n LEU 334 N 5.52 3.38 -3.76 2.97 7.99 -1.26 -4.20 117.00 127.63 1kfd n LEU 334 Ca -0.08 -2.17 -0.13 0.00 -0.01 0.00 0.00 56.01 53.62 1kfd n LEU 334 Cb 0.48 -0.34 -0.10 0.00 -0.11 0.00 0.00 43.42 43.35 1kfd n LEU 334 CO 0.44 0.77 0.01 1.51 -1.51 0.00 0.00 177.39 178.61 1kfd s ASP 335 N -1.11 -0.25 0.23 -1.43 -4.77 -1.26 -4.35 116.67 103.73 1kfd s ASP 335 Ca 0.32 0.33 -0.06 0.00 -3.30 0.00 0.00 52.55 49.84 1kfd s ASP 335 Cb 0.19 0.47 0.39 0.00 -1.09 0.00 0.00 42.92 42.88 1kfd s ASP 335 CO 0.18 -0.30 1.72 -0.33 0.70 0.00 0.00 175.17 177.14 1kfd h GLU 336 N 4.62 0.38 -0.61 2.11 5.08 -1.98 -2.09 114.58 122.10 1kfd h GLU 336 Ca -0.28 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1kfd h GLU 336 Cb 1.18 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1kfd h GLU 336 CO 0.35 0.25 0.34 1.49 -1.00 0.00 0.00 179.01 180.44 1kfd h GLU 337 N 0.39 0.62 -0.56 2.33 4.81 -1.99 0.26 114.58 120.45 1kfd h GLU 337 Ca 0.38 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.45 1kfd h GLU 337 Cb 0.55 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1kfd h GLU 337 CO -0.39 0.41 -0.10 1.15 -0.73 0.00 0.00 179.01 179.35 1kfd h THR 338 N 0.64 1.27 -0.33 0.32 2.02 -1.90 -2.09 112.91 112.84 1kfd h THR 338 Ca 0.27 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 1kfd h THR 338 Cb 0.13 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1kfd h THR 338 CO -0.16 0.45 0.17 0.25 0.37 0.00 0.00 175.52 176.60 1kfd h LEU 339 N 0.93 0.43 -1.22 2.58 6.46 -0.62 -1.09 115.31 122.78 1kfd h LEU 339 Ca 0.15 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 1kfd h LEU 339 Cb 0.67 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 1kfd h LEU 339 CO 0.05 0.42 0.24 0.11 -0.62 0.00 0.00 178.44 178.64 1kfd h LYS 340 N 0.41 0.78 -0.59 1.25 1.79 -0.29 -0.88 116.57 119.04 1kfd h LYS 340 Ca 0.12 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1kfd h LYS 340 Cb 0.10 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.57 1kfd h LYS 340 CO -0.02 0.63 0.37 0.00 -1.08 0.00 0.00 179.45 179.35 1kfd h ALA 341 N 1.49 0.76 -0.33 3.86 0.00 -0.83 -1.71 119.26 122.49 1kfd h ALA 341 Ca 0.19 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1kfd h ALA 341 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1kfd h ALA 341 CO -0.02 0.22 -0.20 -1.49 0.00 0.00 0.00 179.25 177.76 1kfd h TRP 342 N 0.80 0.70 -0.53 0.00 4.06 -0.47 -2.36 115.95 118.15 1kfd h TRP 342 Ca 0.21 -0.14 -0.07 0.00 2.06 0.00 0.00 58.89 60.95 1kfd h TRP 342 Cb -0.04 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 27.93 1kfd h TRP 342 CO -0.02 0.78 0.03 0.82 -3.56 0.00 0.00 178.44 176.49 1kfd h ILE 343 N 0.56 1.25 -0.59 1.49 2.04 -0.66 -0.67 117.51 120.92 1kfd h ILE 343 Ca 0.09 -1.00 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 1kfd h ILE 343 Cb 0.65 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1kfd h ILE 343 CO 0.05 0.36 0.14 0.00 0.00 0.00 0.00 178.15 178.70 1kfd h ALA 344 N 1.22 0.78 0.00 1.87 0.00 -1.12 0.15 119.26 122.16 1kfd h ALA 344 Ca 0.16 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1kfd h ALA 344 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1kfd h ALA 344 CO 0.02 0.49 -0.41 1.57 0.00 0.00 0.00 179.25 180.91 1kfd h LYS 345 N 0.85 0.00 -0.28 0.00 2.10 -0.92 -2.95 116.57 115.38 1kfd h LYS 345 Ca 0.18 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.72 1kfd h LYS 345 Cb 0.36 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 1kfd h LYS 345 CO 0.00 0.41 -0.30 -0.07 -2.00 0.00 0.00 179.45 177.49 1kfd h LEU 346 N 0.00 0.60 -2.24 7.07 4.07 -0.33 -2.38 115.31 122.10 1kfd h LEU 346 Ca -0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 1kfd h LEU 346 Cb 0.95 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.52 1kfd h LEU 346 CO 0.05 0.87 -0.04 -0.33 -1.08 0.00 0.00 178.44 177.91 1kfd h GLU 347 N 0.50 0.00 -0.11 1.13 5.08 -0.82 -2.73 114.58 117.63 1kfd h GLU 347 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1kfd h GLU 347 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1kfd h GLU 347 CO 0.06 0.04 0.00 0.36 -1.00 0.00 0.00 179.01 178.47 1kfd n LYS 348 N -3.34 1.21 -2.80 2.33 2.85 -0.99 -4.99 118.16 112.42 1kfd n LYS 348 Ca -0.02 -1.35 -0.37 0.00 -1.05 0.00 0.00 58.31 55.52 1kfd n LYS 348 Cb 0.18 -1.18 -0.06 0.00 -0.65 0.00 0.00 35.03 33.32 1kfd n LYS 348 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kfd s ALA 349 N -0.81 3.25 0.08 0.58 0.00 -0.93 -4.99 121.76 118.94 1kfd s ALA 349 Ca 0.13 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.38 1kfd s ALA 349 Cb 0.08 -3.16 -0.12 0.00 0.00 0.00 0.00 23.12 19.92 1kfd s ALA 349 CO 0.11 0.19 1.63 -1.00 0.00 0.00 0.00 175.76 176.70 1kfd h PRO 350 N 3.35 0.17 -4.33 0.00 0.13 -1.92 -3.45 132.00 125.95 1kfd h PRO 350 Ca -0.47 -0.03 -0.22 0.00 -0.87 0.00 0.00 66.00 64.42 1kfd h PRO 350 Cb 1.19 -0.03 -0.20 0.00 0.13 0.00 0.00 31.00 32.09 1kfd h PRO 350 CO 0.65 0.25 -0.71 0.14 -0.23 0.00 0.00 178.00 178.10 1kfd s VAL 351 N -5.64 0.37 0.04 1.56 -7.23 -1.26 -4.30 120.40 103.93 1kfd s VAL 351 Ca -0.14 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 1kfd s VAL 351 Cb 0.06 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 1kfd s VAL 351 CO 0.69 -0.51 -0.04 0.72 -0.31 0.00 0.00 175.10 175.65 1kfd s PHE 352 N -1.77 0.46 0.19 2.82 -0.12 -0.93 -4.88 117.98 113.76 1kfd s PHE 352 Ca -0.09 -0.71 -0.22 0.00 -0.05 0.00 0.00 56.93 55.86 1kfd s PHE 352 Cb -0.07 -0.31 -0.08 0.00 -0.63 0.00 0.00 43.02 41.92 1kfd s PHE 352 CO -0.01 -0.22 0.74 0.00 -0.05 0.00 0.00 175.22 175.68 1kfd s ALA 353 N -2.31 3.43 0.02 1.99 0.00 0.63 -1.48 121.76 124.05 1kfd s ALA 353 Ca -0.06 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.16 1kfd s ALA 353 Cb -0.04 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 1kfd s ALA 353 CO -0.04 0.31 -0.07 0.12 0.00 0.00 0.00 175.76 176.09 1kfd s PHE 354 N -1.35 0.58 0.05 0.00 5.36 -0.79 -1.78 117.98 120.06 1kfd s PHE 354 Ca 0.39 -0.28 -0.21 0.00 -0.96 0.00 0.00 56.93 55.87 1kfd s PHE 354 Cb -0.19 -0.36 0.05 0.00 -0.34 0.00 0.00 43.02 42.17 1kfd s PHE 354 CO 0.23 -0.04 0.49 0.34 -1.46 0.00 0.00 175.22 174.78 1kfd s ASP 355 N -0.81 -0.39 0.07 6.13 2.15 0.24 -4.57 116.67 119.48 1kfd s ASP 355 Ca -0.03 0.10 0.06 0.00 0.43 0.00 0.00 52.55 53.11 1kfd s ASP 355 Cb -0.06 0.48 -0.03 0.00 -0.30 0.00 0.00 42.92 43.01 1kfd s ASP 355 CO 0.00 -0.72 -0.16 0.42 -0.17 0.00 0.00 175.17 174.55 1kfd s THR 356 N -2.54 1.24 0.00 1.71 -4.23 -1.26 -0.78 115.64 109.78 1kfd s THR 356 Ca -0.05 -1.26 0.07 0.00 -1.18 0.00 0.00 61.69 59.28 1kfd s THR 356 Cb -0.01 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.65 1kfd s THR 356 CO -0.03 -0.11 -0.22 -1.61 -0.54 0.00 0.00 174.62 172.12 1kfd s GLU 357 N -1.57 2.12 0.20 3.99 0.41 0.86 -4.96 118.70 119.75 1kfd s GLU 357 Ca 0.01 -0.93 -0.01 0.00 -0.41 0.00 0.00 54.97 53.63 1kfd s GLU 357 Cb -0.09 -2.14 -0.04 0.00 -1.78 0.00 0.00 34.13 30.08 1kfd s GLU 357 CO 0.02 0.56 0.12 0.95 -0.49 0.00 0.00 175.26 176.42 1kfd s THR 358 N -0.75 0.07 -0.54 3.63 -4.23 -1.26 -0.42 115.64 112.14 1kfd s THR 358 Ca 0.12 -1.99 0.09 0.00 -1.18 0.00 0.00 61.69 58.73 1kfd s THR 358 Cb -0.10 -2.48 0.54 0.00 1.34 0.00 0.00 72.50 71.79 1kfd s THR 358 CO 0.01 -0.03 1.32 -0.90 -0.54 0.00 0.00 174.62 174.48 1kfd n ASP 359 N -0.28 4.09 -3.61 3.99 5.68 -0.67 -4.25 116.55 121.51 1kfd n ASP 359 Ca 0.01 -2.60 -0.07 0.00 -0.50 0.00 0.00 54.79 51.63 1kfd n ASP 359 Cb 0.66 -0.62 -0.05 0.00 -1.14 0.00 0.00 41.12 39.97 1kfd n ASP 359 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1kfd s SER 360 N -0.52 -0.25 0.32 -1.12 0.15 -1.26 -4.81 113.70 106.20 1kfd s SER 360 Ca 0.36 0.31 0.24 0.00 0.70 0.00 0.00 55.95 57.56 1kfd s SER 360 Cb 0.27 0.25 0.55 0.00 -1.71 0.00 0.00 66.02 65.38 1kfd s SER 360 CO 0.11 -0.21 1.66 -0.07 1.20 0.00 0.00 173.24 175.93 1kfd h LEU 361 N 2.55 0.00 -8.45 3.45 3.38 -1.97 -3.43 115.31 110.84 1kfd h LEU 361 Ca -0.16 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.27 1kfd h LEU 361 Cb 1.17 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 1kfd h LEU 361 CO 0.26 0.00 1.12 -0.62 0.09 0.00 0.00 178.44 179.29 1kfd s ASP 362 N -5.36 6.01 0.43 -0.43 2.15 -1.26 -4.84 116.67 113.37 1kfd s ASP 362 Ca 0.08 -0.10 0.27 0.00 0.43 0.00 0.00 52.55 53.24 1kfd s ASP 362 Cb 0.09 -2.55 1.35 0.00 -0.30 0.00 0.00 42.92 41.50 1kfd s ASP 362 CO 0.64 -1.88 1.67 -1.13 -0.17 0.00 0.00 175.17 174.29 1kfd h ASN 363 N 11.14 0.29 0.67 -0.34 -1.24 -1.95 0.39 115.58 124.54 1kfd h ASN 363 Ca -0.27 0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.85 1kfd h ASN 363 Cb 1.08 0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.22 1kfd h ASN 363 CO 1.24 -0.10 -0.78 0.00 -1.29 0.00 0.00 177.43 176.50 1kfd n ILE 364 N -4.65 0.26 0.31 2.57 0.00 -1.26 -3.91 119.36 112.67 1kfd n ILE 364 Ca 0.34 -0.25 0.04 0.00 0.00 0.00 0.00 62.75 62.88 1kfd n ILE 364 Cb 1.28 0.03 0.04 0.00 0.00 0.00 0.00 39.64 40.99 1kfd n ILE 364 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1kfd n SER 365 N -2.02 1.75 -4.78 9.51 7.64 -0.14 -5.02 113.62 120.57 1kfd n SER 365 Ca 0.03 -1.39 -0.34 0.00 1.01 0.00 0.00 58.87 58.18 1kfd n SER 365 Cb 0.43 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1kfd n SER 365 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kfd s ALA 366 N -0.70 2.62 -0.07 -0.43 0.00 0.12 -4.89 121.76 118.41 1kfd s ALA 366 Ca 0.10 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.71 1kfd s ALA 366 Cb 0.07 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1kfd s ALA 366 CO 0.10 -0.97 -0.24 -0.80 0.00 0.00 0.00 175.76 173.85 1kfd s ASN 367 N -2.36 3.00 -0.13 0.00 0.01 -1.26 -4.92 114.94 109.28 1kfd s ASN 367 Ca 0.68 -0.51 -0.29 0.00 -0.71 0.00 0.00 52.86 52.03 1kfd s ASN 367 Cb -0.20 -0.96 -0.05 0.00 0.41 0.00 0.00 41.25 40.44 1kfd s ASN 367 CO 0.35 0.22 1.86 -0.22 -1.51 0.00 0.00 177.10 177.80 1kfd s LEU 368 N -0.02 3.98 -0.12 0.60 2.96 -1.26 -1.67 118.68 123.14 1kfd s LEU 368 Ca -0.07 2.03 0.16 0.00 -0.22 0.00 0.00 54.13 56.03 1kfd s LEU 368 Cb -0.15 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 1kfd s LEU 368 CO 0.05 -1.34 0.34 0.52 -1.32 0.00 0.00 176.35 174.60 1kfd n VAL 369 N 6.41 1.45 -3.62 1.68 0.31 0.44 -4.58 118.33 120.42 1kfd n VAL 369 Ca 0.22 -0.82 -0.01 0.00 -0.01 0.00 0.00 64.34 63.71 1kfd n VAL 369 Cb 0.44 -0.70 -0.01 0.00 -0.91 0.00 0.00 33.84 32.66 1kfd n VAL 369 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1kfd s GLY 370 N -5.29 -0.29 0.23 2.92 0.00 -1.05 -0.90 107.32 102.93 1kfd s GLY 370 Ca -0.08 1.60 0.04 0.00 0.00 0.00 0.00 44.72 46.28 1kfd s GLY 370 CO 0.83 0.49 -0.02 1.08 0.00 0.00 0.00 173.10 175.48 1kfd s LEU 371 N -2.31 2.25 -0.03 0.66 1.02 -0.87 -0.10 118.68 119.31 1kfd s LEU 371 Ca 0.12 -1.20 -0.15 0.00 0.02 0.00 0.00 54.13 52.93 1kfd s LEU 371 Cb 0.01 -0.32 0.02 0.00 0.02 0.00 0.00 46.19 45.92 1kfd s LEU 371 CO -0.04 -0.48 0.32 -0.94 0.02 0.00 0.00 176.35 175.24 1kfd s SER 372 N -3.31 -0.21 0.11 2.29 1.04 0.04 -1.08 113.70 112.57 1kfd s SER 372 Ca 0.28 0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.87 1kfd s SER 372 Cb 0.05 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1kfd s SER 372 CO 0.08 -0.42 -0.04 -0.36 0.98 0.00 0.00 173.24 173.49 1kfd s PHE 373 N -1.17 0.90 -0.09 5.02 0.40 -1.09 -0.59 117.98 121.36 1kfd s PHE 373 Ca -0.12 -0.97 -0.04 0.00 -0.60 0.00 0.00 56.93 55.19 1kfd s PHE 373 Cb -0.05 -0.53 0.04 0.00 0.51 0.00 0.00 43.02 42.99 1kfd s PHE 373 CO 0.04 -0.21 0.20 0.00 0.70 0.00 0.00 175.22 175.95 1kfd s ALA 374 N -3.69 -0.43 -0.71 5.36 0.00 -0.73 -1.95 121.76 119.60 1kfd s ALA 374 Ca 0.14 0.83 0.13 0.00 0.00 0.00 0.00 51.96 53.06 1kfd s ALA 374 Cb 0.06 -0.53 -0.11 0.00 0.00 0.00 0.00 23.12 22.53 1kfd s ALA 374 CO -0.04 -0.17 0.58 0.44 0.00 0.00 0.00 175.76 176.57 1kfd n ILE 375 N 4.11 0.00 -3.58 0.00 -5.35 -0.96 -0.27 119.36 113.32 1kfd n ILE 375 Ca -0.25 -0.23 -0.10 0.00 -0.27 0.00 0.00 62.75 61.90 1kfd n ILE 375 Cb 0.53 1.03 -0.05 0.00 -1.74 0.00 0.00 39.64 39.41 1kfd n ILE 375 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1kfd s GLU 376 N -2.10 0.60 -0.33 6.28 2.12 -1.25 -4.92 118.70 119.10 1kfd s GLU 376 Ca 0.06 0.13 -0.34 0.00 0.36 0.00 0.00 54.97 55.19 1kfd s GLU 376 Cb 0.10 0.28 -0.10 0.00 0.26 0.00 0.00 34.13 34.67 1kfd s GLU 376 CO 0.49 -0.19 2.20 -2.30 -0.54 0.00 0.00 175.26 174.92 1kfd n PRO 377 N 0.70 1.23 0.00 4.30 -0.02 -1.26 -0.94 135.00 139.01 1kfd n PRO 377 Ca -0.10 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1kfd n PRO 377 Cb 0.58 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1kfd n PRO 377 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kfd n GLY 378 N 6.40 2.00 3.25 -1.23 0.00 -1.26 -5.01 105.19 109.35 1kfd n GLY 378 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 1kfd n GLY 378 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfd s VAL 379 N -2.49 4.64 0.03 1.61 1.01 -0.12 -4.86 120.40 120.22 1kfd s VAL 379 Ca 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 61.98 60.30 1kfd s VAL 379 Cb 0.00 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1kfd s VAL 379 CO 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 175.10 174.32 1kfd s ALA 380 N 1.46 0.11 0.09 5.51 0.00 -1.26 -2.27 121.76 125.40 1kfd s ALA 380 Ca 0.05 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.34 1kfd s ALA 380 Cb -0.28 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1kfd s ALA 380 CO 0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 175.76 175.39 1kfd s ALA 381 N -2.53 1.03 -0.10 0.00 0.00 -0.82 -2.98 121.76 116.35 1kfd s ALA 381 Ca -0.06 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.81 1kfd s ALA 381 Cb -0.02 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1kfd s ALA 381 CO -0.05 -0.04 -0.22 -0.47 0.00 0.00 0.00 175.76 174.99 1kfd s TYR 382 N -2.30 2.43 -0.50 0.00 5.04 -0.65 -2.66 117.35 118.72 1kfd s TYR 382 Ca 0.03 -1.05 -0.09 0.00 -2.44 0.00 0.00 57.07 53.53 1kfd s TYR 382 Cb -0.04 -1.65 0.13 0.00 0.35 0.00 0.00 41.96 40.75 1kfd s TYR 382 CO -0.00 -0.45 0.37 0.42 -1.34 0.00 0.00 175.55 174.55 1kfd s ILE 383 N 0.51 4.19 -0.08 3.14 1.01 -0.24 -0.43 121.20 129.30 1kfd s ILE 383 Ca -0.15 -1.94 -0.30 0.00 0.00 0.00 0.00 60.65 58.26 1kfd s ILE 383 Cb -0.17 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1kfd s ILE 383 CO 0.06 -0.79 1.34 -2.84 0.00 0.00 0.00 174.94 172.71 1kfd s PRO 384 N 1.16 4.26 -0.00 2.79 0.02 -1.26 -2.06 135.00 139.91 1kfd s PRO 384 Ca 0.07 1.82 0.03 0.00 0.02 0.00 0.00 61.00 62.95 1kfd s PRO 384 Cb -0.25 -3.71 -0.04 0.00 0.02 0.00 0.00 34.50 30.52 1kfd s PRO 384 CO -0.02 -0.64 0.09 1.33 -0.33 0.00 0.00 177.00 177.44 1kfd n VAL 385 N 5.05 0.00 -2.76 3.83 0.24 -0.08 -3.98 118.33 120.64 1kfd n VAL 385 Ca 0.14 -0.22 -0.01 0.00 -2.04 0.00 0.00 64.34 62.21 1kfd n VAL 385 Cb 0.44 0.67 0.07 0.00 -1.47 0.00 0.00 33.84 33.56 1kfd n VAL 385 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kfd n ALA 386 N -1.38 2.69 -2.68 2.33 0.00 -0.50 -3.81 120.51 117.17 1kfd n ALA 386 Ca -0.00 -2.19 -0.42 0.00 0.00 0.00 0.00 53.44 50.83 1kfd n ALA 386 Cb 0.07 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1kfd n ALA 386 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1kfd s HIS 387 N -2.43 3.46 -0.13 0.00 3.76 -1.26 -4.71 115.29 113.98 1kfd s HIS 387 Ca 0.22 1.42 0.15 0.00 -0.15 0.00 0.00 55.06 56.69 1kfd s HIS 387 Cb 0.35 -3.10 0.25 0.00 1.11 0.00 0.00 32.58 31.19 1kfd s HIS 387 CO -0.07 -0.24 1.15 -0.40 -0.85 0.00 0.00 174.74 174.32 1kfd n ASP 388 N 5.18 2.42 -4.47 1.40 5.68 -0.72 -4.85 116.55 121.20 1kfd n ASP 388 Ca 0.07 -2.84 -0.29 0.00 -0.50 0.00 0.00 54.79 51.22 1kfd n ASP 388 Cb 0.49 -0.35 0.24 0.00 -1.14 0.00 0.00 41.12 40.36 1kfd n ASP 388 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kfd n TYR 389 N -1.13 -1.12 -1.65 2.11 0.18 -1.18 -4.80 117.16 109.57 1kfd n TYR 389 Ca 0.13 -0.09 -0.49 0.00 1.88 0.00 0.00 57.90 59.34 1kfd n TYR 389 Cb 0.58 -1.71 -0.05 0.00 -0.38 0.00 0.00 39.34 37.78 1kfd n TYR 389 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1kfd n LEU 390 N -4.61 2.62 -2.07 -3.48 0.00 -1.26 -1.08 117.00 107.13 1kfd n LEU 390 Ca 0.03 1.08 -0.17 0.00 0.00 0.00 0.00 56.01 56.95 1kfd n LEU 390 Cb 0.54 -1.32 -0.03 0.00 0.00 0.00 0.00 43.42 42.61 1kfd n LEU 390 CO 0.56 -0.51 -0.20 0.47 0.00 0.00 0.00 177.39 177.71 1kfd n ASP 391 N 3.69 -4.86 -4.63 1.96 8.00 -1.26 -4.91 116.55 114.53 1kfd n ASP 391 Ca 0.19 0.21 -0.49 0.00 0.71 0.00 0.00 54.79 55.40 1kfd n ASP 391 Cb 0.25 -4.19 -0.05 0.00 -0.02 0.00 0.00 41.12 37.11 1kfd n ASP 391 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kfd n ALA 392 N -0.94 0.18 -1.72 2.24 0.00 -0.24 -4.90 120.51 115.13 1kfd n ALA 392 Ca -0.19 0.48 -0.41 0.00 0.00 0.00 0.00 53.44 53.31 1kfd n ALA 392 Cb 0.62 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1kfd n ALA 392 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1kfd n PRO 393 N 3.07 2.14 -1.72 0.00 -0.02 -1.26 -4.93 135.00 132.28 1kfd n PRO 393 Ca 0.18 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 62.01 1kfd n PRO 393 Cb 0.24 -2.43 0.02 0.00 -0.02 0.00 0.00 33.50 31.31 1kfd n PRO 393 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1kfd n ASP 394 N 0.42 2.73 -4.25 2.55 8.00 -1.26 -5.01 116.55 119.73 1kfd n ASP 394 Ca 0.05 1.09 -0.14 0.00 0.71 0.00 0.00 54.79 56.50 1kfd n ASP 394 Cb 0.38 -1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 39.85 1kfd n ASP 394 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1kfd s GLN 395 N -2.35 1.17 0.31 -1.24 -0.21 -1.26 -4.93 119.66 111.15 1kfd s GLN 395 Ca 0.62 -1.58 -0.29 0.00 0.02 0.00 0.00 55.36 54.14 1kfd s GLN 395 Cb -0.48 -0.26 -0.10 0.00 1.00 0.00 0.00 33.01 33.16 1kfd s GLN 395 CO 0.57 -0.16 1.43 0.42 -2.12 0.00 0.00 175.29 175.42 1kfd s ILE 396 N -3.68 2.46 0.38 1.08 1.01 -1.26 -4.93 121.20 116.27 1kfd s ILE 396 Ca 0.27 0.43 -0.26 0.00 0.00 0.00 0.00 60.65 61.08 1kfd s ILE 396 Cb 0.06 -3.27 -0.09 0.00 0.01 0.00 0.00 42.46 39.17 1kfd s ILE 396 CO 0.06 0.09 1.21 -0.94 0.00 0.00 0.00 174.94 175.35 1kfd s SER 397 N -0.00 6.59 0.28 3.58 1.04 -1.26 -4.45 113.70 119.47 1kfd s SER 397 Ca 0.55 2.45 0.01 0.00 0.48 0.00 0.00 55.95 59.44 1kfd s SER 397 Cb -0.43 -2.63 0.65 0.00 0.10 0.00 0.00 66.02 63.72 1kfd s SER 397 CO 0.52 -0.64 1.67 -0.09 0.98 0.00 0.00 173.24 175.68 1kfd h ARG 398 N 2.87 0.26 -0.51 4.02 2.43 -1.92 -0.73 114.38 120.80 1kfd h ARG 398 Ca -0.49 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.58 1kfd h ARG 398 Cb 1.23 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 1kfd h ARG 398 CO 0.63 0.17 -0.04 0.93 -1.51 0.00 0.00 179.97 180.16 1kfd h GLU 399 N 0.27 0.89 -0.03 0.20 4.39 -1.94 -1.70 114.58 116.65 1kfd h GLU 399 Ca 0.52 -0.27 -0.19 0.00 0.34 0.00 0.00 59.36 59.76 1kfd h GLU 399 Cb 1.00 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1kfd h GLU 399 CO -0.59 0.91 -0.71 -0.09 -1.16 0.00 0.00 179.01 177.37 1kfd h ARG 400 N 0.81 0.54 -0.28 2.33 9.65 -1.64 -1.26 114.38 124.52 1kfd h ARG 400 Ca 0.15 -0.53 0.03 0.00 -1.10 0.00 0.00 59.98 58.52 1kfd h ARG 400 Cb 0.54 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.23 1kfd h ARG 400 CO 0.03 1.16 0.10 0.00 2.80 0.00 0.00 179.97 184.06 1kfd h ALA 401 N 0.39 0.32 -0.51 2.80 0.00 -1.08 -1.79 119.26 119.39 1kfd h ALA 401 Ca -0.08 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1kfd h ALA 401 Cb 1.38 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1kfd h ALA 401 CO 0.14 -0.31 0.10 -0.07 0.00 0.00 0.00 179.25 179.11 1kfd h LEU 402 N 0.22 0.74 -0.69 0.00 3.38 -1.28 -0.51 115.31 117.17 1kfd h LEU 402 Ca 0.12 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1kfd h LEU 402 Cb 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1kfd h LEU 402 CO -0.13 0.74 -0.54 1.05 0.09 0.00 0.00 178.44 179.65 1kfd h GLU 403 N 0.76 0.00 -0.23 1.13 4.11 -0.84 0.34 114.58 119.85 1kfd h GLU 403 Ca 0.17 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.43 1kfd h GLU 403 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1kfd h GLU 403 CO 0.00 0.54 -0.51 -0.07 0.07 0.00 0.00 179.01 179.05 1kfd h LEU 404 N 0.00 0.84 -0.03 3.06 3.38 -0.88 -3.30 115.31 118.39 1kfd h LEU 404 Ca -0.01 -0.56 -0.07 0.00 0.09 0.00 0.00 57.88 57.34 1kfd h LEU 404 Cb 1.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1kfd h LEU 404 CO 0.07 1.24 -0.31 -0.07 0.09 0.00 0.00 178.44 179.46 1kfd h LEU 405 N 0.47 0.00 -0.02 1.67 -0.00 -1.00 -3.40 115.31 113.03 1kfd h LEU 405 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1kfd h LEU 405 Cb 1.12 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.72 1kfd h LEU 405 CO 0.11 0.31 -0.47 0.50 -0.00 0.00 0.00 178.44 178.90 1kfd h LYS 406 N 0.00 -0.58 -0.26 1.13 3.64 -0.40 -1.04 116.57 119.06 1kfd h LYS 406 Ca -0.00 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1kfd h LYS 406 Cb 1.23 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 1kfd h LYS 406 CO 0.04 -0.39 0.19 -1.00 -2.27 0.00 0.00 179.45 176.02 1kfd h PRO 407 N -0.61 0.06 0.05 1.90 0.13 -1.78 -0.33 132.00 131.43 1kfd h PRO 407 Ca 0.04 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1kfd h PRO 407 Cb 0.68 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1kfd h PRO 407 CO -0.35 0.04 -0.03 1.25 -0.23 0.00 0.00 178.00 178.69 1kfd h LEU 408 N 0.06 -0.06 -0.66 1.56 5.85 -1.68 -2.90 115.31 117.49 1kfd h LEU 408 Ca 0.12 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.42 1kfd h LEU 408 Cb 0.41 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1kfd h LEU 408 CO -0.01 0.44 0.39 -0.07 -0.34 0.00 0.00 178.44 178.86 1kfd h LEU 409 N -0.59 0.63 -0.03 2.25 4.07 -0.56 -2.09 115.31 119.00 1kfd h LEU 409 Ca -0.01 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1kfd h LEU 409 Cb 0.51 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1kfd h LEU 409 CO 0.01 0.43 0.00 -0.62 -1.08 0.00 0.00 178.44 177.18 1kfd n GLU 410 N -4.73 1.02 -2.92 1.13 1.02 -0.19 -1.84 120.64 114.13 1kfd n GLU 410 Ca 0.07 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 1kfd n GLU 410 Cb 0.11 -1.39 -0.05 0.00 -0.02 0.00 0.00 31.44 30.10 1kfd n GLU 410 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1kfd s ASP 411 N -1.77 6.65 0.41 1.62 -1.08 -0.79 -4.52 116.67 117.19 1kfd s ASP 411 Ca 0.37 0.61 0.13 0.00 -0.52 0.00 0.00 52.55 53.13 1kfd s ASP 411 Cb 0.17 -2.42 0.85 0.00 -1.46 0.00 0.00 42.92 40.06 1kfd s ASP 411 CO 0.29 -0.67 1.91 1.05 0.52 0.00 0.00 175.17 178.27 1kfd h GLU 412 N 8.22 0.04 -0.00 4.34 4.11 -1.86 -1.62 114.58 127.82 1kfd h GLU 412 Ca -0.24 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1kfd h GLU 412 Cb 1.09 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1kfd h GLU 412 CO 0.90 0.29 -0.04 1.63 0.07 0.00 0.00 179.01 181.86 1kfd n LYS 413 N -4.22 0.63 -3.20 1.06 4.76 -1.26 -4.46 118.16 111.47 1kfd n LYS 413 Ca -0.02 -0.11 -0.45 0.00 -2.87 0.00 0.00 58.31 54.86 1kfd n LYS 413 Cb 0.32 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.96 1kfd n LYS 413 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kfd s ALA 414 N -2.44 3.55 0.22 7.82 0.00 -0.61 -5.04 121.76 125.26 1kfd s ALA 414 Ca 0.32 -2.44 -0.30 0.00 0.00 0.00 0.00 51.96 49.54 1kfd s ALA 414 Cb 0.20 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 1kfd s ALA 414 CO 0.45 -2.22 0.94 -0.51 0.00 0.00 0.00 175.76 174.42 1kfd s LEU 415 N 2.08 4.63 0.14 0.00 1.43 -1.26 -3.88 118.68 121.82 1kfd s LEU 415 Ca 0.09 1.92 0.11 0.00 -1.03 0.00 0.00 54.13 55.21 1kfd s LEU 415 Cb -0.26 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 1kfd s LEU 415 CO 0.04 0.14 -0.25 -0.54 0.23 0.00 0.00 176.35 175.96 1kfd s LYS 416 N -1.06 1.38 0.05 1.70 3.01 0.21 -2.18 119.74 122.84 1kfd s LYS 416 Ca 0.41 -1.36 0.08 0.00 -1.01 0.00 0.00 55.97 54.09 1kfd s LYS 416 Cb -0.26 -1.78 -0.03 0.00 -1.01 0.00 0.00 37.83 34.75 1kfd s LYS 416 CO 0.32 0.41 -0.19 0.08 0.51 0.00 0.00 175.35 176.47 1kfd s VAL 417 N -1.24 2.69 0.18 3.17 1.01 -0.55 -1.91 120.40 123.75 1kfd s VAL 417 Ca 0.14 -1.25 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 1kfd s VAL 417 Cb -0.09 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.21 1kfd s VAL 417 CO 0.07 0.32 0.77 -0.83 0.00 0.00 0.00 175.10 175.42 1kfd s GLY 418 N -1.48 -0.30 -0.31 4.51 0.00 -0.26 -1.88 107.32 107.59 1kfd s GLY 418 Ca 0.14 0.17 -0.07 0.00 0.00 0.00 0.00 44.72 44.96 1kfd s GLY 418 CO 0.05 0.05 0.09 1.62 0.00 0.00 0.00 173.10 174.92 1kfd s GLN 419 N -3.62 2.92 -0.88 2.90 2.00 -1.26 -0.95 119.66 120.77 1kfd s GLN 419 Ca 0.08 -0.98 -0.03 0.00 -2.00 0.00 0.00 55.36 52.43 1kfd s GLN 419 Cb -0.03 -3.42 -0.03 0.00 0.80 0.00 0.00 33.01 30.34 1kfd s GLN 419 CO -0.01 -0.53 0.79 -1.71 -0.50 0.00 0.00 175.29 173.32 1kfd n ASN 420 N 4.85 -7.20 0.12 6.67 2.85 -1.26 -4.89 115.26 116.40 1kfd n ASN 420 Ca -0.14 -0.37 0.10 0.00 -0.11 0.00 0.00 54.58 54.06 1kfd n ASN 420 Cb 0.47 -5.11 0.47 0.00 1.24 0.00 0.00 39.78 36.84 1kfd n ASN 420 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1kfd n LEU 421 N -2.44 0.51 -0.17 1.20 7.94 -1.26 -1.91 117.00 120.87 1kfd n LEU 421 Ca -0.04 0.67 -0.07 0.00 -1.11 0.00 0.00 56.01 55.46 1kfd n LEU 421 Cb 0.55 -0.65 0.02 0.00 0.53 0.00 0.00 43.42 43.87 1kfd n LEU 421 CO 0.56 -0.66 1.08 0.50 -1.11 0.00 0.00 177.39 177.76 1kfd h LYS 422 N 0.00 0.66 0.02 1.96 3.64 -1.90 -0.57 116.57 120.37 1kfd h LYS 422 Ca 0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1kfd h LYS 422 Cb 0.20 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1kfd h LYS 422 CO 0.00 0.44 -0.01 -0.92 -2.27 0.00 0.00 179.45 176.69 1kfd h TYR 423 N 0.68 -0.02 -0.64 1.91 3.20 -1.74 -2.84 116.97 117.51 1kfd h TYR 423 Ca 0.18 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1kfd h TYR 423 Cb -0.07 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 1kfd h TYR 423 CO -0.04 0.12 0.11 -0.44 -1.64 0.00 0.00 178.16 176.27 1kfd h ASP 424 N -0.15 0.99 -0.92 -2.11 3.32 -1.59 -1.23 116.42 114.73 1kfd h ASP 424 Ca -0.00 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1kfd h ASP 424 Cb 0.14 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1kfd h ASP 424 CO 0.00 0.98 0.54 -0.09 -1.72 0.00 0.00 179.24 178.96 1kfd h ARG 425 N 0.98 1.27 -0.33 3.56 2.43 -1.09 -2.08 114.38 119.12 1kfd h ARG 425 Ca 0.20 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1kfd h ARG 425 Cb 0.41 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1kfd h ARG 425 CO 0.01 0.90 0.09 0.78 -1.51 0.00 0.00 179.97 180.23 1kfd h GLY 426 N 1.28 0.56 0.73 2.80 0.00 -1.11 -1.23 103.07 106.10 1kfd h GLY 426 Ca 0.33 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.37 1kfd h GLY 426 CO -0.06 0.32 0.38 -2.22 0.00 0.00 0.00 176.54 174.97 1kfd h ILE 427 N 0.37 1.00 -0.20 2.60 1.08 -0.92 -1.21 117.51 120.23 1kfd h ILE 427 Ca 0.10 -0.25 -0.12 0.00 -0.39 0.00 0.00 64.86 64.20 1kfd h ILE 427 Cb 0.28 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 1kfd h ILE 427 CO -0.00 0.13 -0.40 -0.07 -0.69 0.00 0.00 178.15 177.12 1kfd h LEU 428 N 0.72 0.48 -2.55 1.44 3.38 -1.21 -2.73 115.31 114.84 1kfd h LEU 428 Ca 0.29 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1kfd h LEU 428 Cb 0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1kfd h LEU 428 CO -0.16 0.83 -0.02 0.00 0.09 0.00 0.00 178.44 179.18 1kfd h ALA 429 N 1.19 1.13 0.00 1.53 0.00 -0.03 0.95 119.26 124.03 1kfd h ALA 429 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1kfd h ALA 429 Cb 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1kfd h ALA 429 CO 0.07 0.02 0.00 -0.91 0.00 0.00 0.00 179.25 178.43 1kfd h ASN 430 N 0.00 0.00 -0.22 0.00 2.35 -1.07 -2.63 115.58 114.01 1kfd h ASN 430 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1kfd h ASN 430 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1kfd h ASN 430 CO 0.00 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.56 1kfd n TYR 431 N -2.36 0.47 -1.02 1.19 4.01 0.30 -4.97 117.16 114.77 1kfd n TYR 431 Ca 0.00 -0.66 -0.01 0.00 -0.16 0.00 0.00 57.90 57.07 1kfd n TYR 431 Cb 0.15 -0.13 -0.00 0.00 -0.31 0.00 0.00 39.34 39.05 1kfd n TYR 431 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kfd n GLY 432 N -0.17 0.45 3.58 2.72 0.00 -0.99 -5.04 105.19 105.73 1kfd n GLY 432 Ca 0.13 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 1kfd n GLY 432 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kfd s ILE 433 N -2.02 4.00 -0.44 -0.61 1.01 -1.00 -4.99 121.20 117.14 1kfd s ILE 433 Ca 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 1kfd s ILE 433 Cb 0.00 -2.70 0.04 0.00 0.01 0.00 0.00 42.46 39.81 1kfd s ILE 433 CO 0.00 0.55 0.39 -1.61 0.00 0.00 0.00 174.94 174.27 1kfd s GLU 434 N -0.29 3.01 0.16 2.79 0.41 -1.26 -3.19 118.70 120.33 1kfd s GLU 434 Ca 0.05 -1.08 -0.31 0.00 -0.41 0.00 0.00 54.97 53.22 1kfd s GLU 434 Cb -0.12 -4.05 -0.09 0.00 -1.78 0.00 0.00 34.13 28.09 1kfd s GLU 434 CO 0.02 -0.92 1.44 -1.17 -0.49 0.00 0.00 175.26 174.14 1kfd s LEU 435 N 1.85 4.38 0.00 1.80 0.20 -1.26 -4.10 118.68 121.55 1kfd s LEU 435 Ca 0.07 2.47 0.00 0.00 0.69 0.00 0.00 54.13 57.36 1kfd s LEU 435 Cb -0.21 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 41.96 1kfd s LEU 435 CO 0.10 -0.70 0.00 0.54 -0.29 0.00 0.00 176.35 176.00 1kfd n ARG 436 N 3.61 0.70 -1.28 1.98 1.74 -0.77 -4.75 116.66 117.90 1kfd n ARG 436 Ca 0.11 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.96 1kfd n ARG 436 Cb 0.41 -0.94 -0.04 0.00 -1.02 0.00 0.00 32.46 30.87 1kfd n ARG 436 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kfd n GLY 437 N 2.22 4.17 3.14 -0.13 0.00 -1.24 -4.58 105.19 108.77 1kfd n GLY 437 Ca 0.00 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1kfd n GLY 437 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kfd n ILE 438 N 0.85 2.84 -0.01 -0.61 5.41 -1.26 -0.62 119.36 125.96 1kfd n ILE 438 Ca 0.43 -2.66 -0.22 0.00 1.00 0.00 0.00 62.75 61.30 1kfd n ILE 438 Cb 0.59 -2.41 -0.14 0.00 -0.71 0.00 0.00 39.64 36.97 1kfd n ILE 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kfd n ALA 439 N 8.20 0.87 -3.69 -1.39 0.00 -1.16 -4.88 120.51 118.47 1kfd n ALA 439 Ca 0.50 -0.58 -0.18 0.00 0.00 0.00 0.00 53.44 53.19 1kfd n ALA 439 Cb 0.42 -0.66 -0.16 0.00 0.00 0.00 0.00 19.45 19.04 1kfd n ALA 439 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1kfd s PHE 440 N -2.53 0.40 -0.20 0.00 0.08 -0.80 -5.00 117.98 109.92 1kfd s PHE 440 Ca -0.23 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 56.79 1kfd s PHE 440 Cb 0.07 -0.46 0.03 0.00 -0.57 0.00 0.00 43.02 42.09 1kfd s PHE 440 CO 0.75 -0.14 -0.18 0.34 -0.10 0.00 0.00 175.22 175.89 1kfd s ASP 441 N 0.99 3.41 0.54 1.36 -1.08 -1.26 -1.10 116.67 119.53 1kfd s ASP 441 Ca -0.10 -0.79 0.31 0.00 -0.52 0.00 0.00 52.55 51.45 1kfd s ASP 441 Cb -0.14 -1.50 1.56 0.00 -1.46 0.00 0.00 42.92 41.38 1kfd s ASP 441 CO -0.01 -0.04 2.09 0.71 0.52 0.00 0.00 175.17 178.44 1kfd h THR 442 N 6.09 0.40 -0.55 1.71 1.35 -1.40 -0.64 112.91 119.87 1kfd h THR 442 Ca -0.41 -0.48 -0.11 0.00 -0.55 0.00 0.00 66.41 64.86 1kfd h THR 442 Cb 1.12 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.86 1kfd h THR 442 CO 0.61 0.09 -0.10 -0.03 -0.25 0.00 0.00 175.52 175.83 1kfd h MET 443 N 0.00 1.03 0.00 4.72 -1.53 -1.80 -2.21 114.93 115.14 1kfd h MET 443 Ca -0.00 -0.38 -0.14 0.00 -3.44 0.00 0.00 59.70 55.74 1kfd h MET 443 Cb 0.33 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.29 1kfd h MET 443 CO 0.01 1.07 -0.85 -0.07 0.14 0.00 0.00 176.91 177.20 1kfd h LEU 444 N 0.92 0.00 0.16 3.39 3.38 -1.64 -1.91 115.31 119.61 1kfd h LEU 444 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1kfd h LEU 444 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1kfd h LEU 444 CO 0.05 0.61 -0.08 -0.33 0.09 0.00 0.00 178.44 178.78 1kfd h GLU 445 N 0.00 -0.21 -0.03 1.13 5.08 -1.10 -0.56 114.58 118.90 1kfd h GLU 445 Ca -0.05 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1kfd h GLU 445 Cb 1.51 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.77 1kfd h GLU 445 CO 0.07 -0.13 -0.19 1.03 -1.00 0.00 0.00 179.01 178.80 1kfd h SER 446 N -0.23 -0.56 -0.68 1.42 0.87 -1.34 -1.94 113.55 111.09 1kfd h SER 446 Ca -0.02 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1kfd h SER 446 Cb 0.18 0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.32 1kfd h SER 446 CO 0.04 -0.25 0.40 0.22 -0.53 0.00 0.00 176.83 176.70 1kfd h TYR 447 N -0.29 0.73 0.00 2.24 3.20 -1.25 -0.54 116.97 121.06 1kfd h TYR 447 Ca 0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1kfd h TYR 447 Cb 0.38 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1kfd h TYR 447 CO -0.25 0.37 0.00 0.82 -1.64 0.00 0.00 178.16 177.46 1kfd h ILE 448 N 0.74 0.00 -0.08 1.81 1.08 -0.82 -2.58 117.51 117.67 1kfd h ILE 448 Ca 0.30 -0.65 -0.12 0.00 -0.39 0.00 0.00 64.86 64.01 1kfd h ILE 448 Cb 0.15 1.64 0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1kfd h ILE 448 CO -0.16 0.00 -0.40 0.25 -0.69 0.00 0.00 178.15 177.14 1kfd h LEU 449 N 0.00 0.49 -6.00 1.44 5.85 -0.31 -3.44 115.31 113.33 1kfd h LEU 449 Ca 0.00 -0.65 0.12 0.00 0.84 0.00 0.00 57.88 58.19 1kfd h LEU 449 Cb 0.65 -0.14 -0.20 0.00 0.37 0.00 0.00 40.66 41.33 1kfd h LEU 449 CO 0.00 1.06 -0.20 0.21 -0.34 0.00 0.00 178.44 179.18 1kfd s ASN 450 N -6.51 -1.03 0.48 1.25 2.47 -1.02 -5.03 114.94 105.53 1kfd s ASN 450 Ca -0.14 0.13 0.15 0.00 0.42 0.00 0.00 52.86 53.43 1kfd s ASN 450 Cb 0.04 1.66 1.14 0.00 -1.45 0.00 0.00 41.25 42.64 1kfd s ASN 450 CO 0.80 -0.19 2.06 0.77 -3.72 0.00 0.00 177.10 176.81 1kfd h SER 451 N 7.64 0.20 -0.47 -4.21 4.64 -1.68 -2.19 113.55 117.49 1kfd h SER 451 Ca -0.05 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1kfd h SER 451 Cb 1.18 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1kfd h SER 451 CO 0.03 0.13 0.00 1.33 -0.87 0.00 0.00 176.83 177.45 1kfd n VAL 452 N -4.48 0.62 0.27 0.95 0.24 -1.26 -4.42 118.33 110.25 1kfd n VAL 452 Ca 0.04 -0.68 0.11 0.00 -2.04 0.00 0.00 64.34 61.77 1kfd n VAL 452 Cb 0.25 0.48 0.75 0.00 -1.47 0.00 0.00 33.84 33.85 1kfd n VAL 452 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kfd h ALA 453 N 4.11 1.71 0.00 2.33 0.00 -1.78 -3.48 119.26 122.16 1kfd h ALA 453 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kfd h ALA 453 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1kfd h ALA 453 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1kfd n GLY 454 N -1.33 0.05 3.76 0.00 0.00 -1.26 -5.09 105.19 101.32 1kfd n GLY 454 Ca -0.03 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1kfd n GLY 454 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kfd s ARG 455 N -2.00 4.46 -0.33 1.61 3.00 -1.26 -4.94 118.95 119.50 1kfd s ARG 455 Ca 0.00 2.03 0.10 0.00 -1.00 0.00 0.00 55.73 56.86 1kfd s ARG 455 Cb 0.00 -3.14 0.68 0.00 0.00 0.00 0.00 34.95 32.49 1kfd s ARG 455 CO 0.00 -0.06 1.74 0.72 0.00 0.00 0.00 175.30 177.70 1kfd n HIS 456 N 1.34 2.21 -3.15 5.12 8.25 -1.26 -4.51 115.22 123.22 1kfd n HIS 456 Ca 0.01 -1.33 -0.29 0.00 -0.26 0.00 0.00 57.72 55.85 1kfd n HIS 456 Cb 0.43 -0.67 -0.03 0.00 1.12 0.00 0.00 29.99 30.84 1kfd n HIS 456 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1kfd s ASP 457 N -1.39 6.47 0.29 0.41 -4.77 -1.26 -4.56 116.67 111.86 1kfd s ASP 457 Ca 0.53 0.87 0.04 0.00 -3.30 0.00 0.00 52.55 50.69 1kfd s ASP 457 Cb 0.43 -2.21 0.75 0.00 -1.09 0.00 0.00 42.92 40.80 1kfd s ASP 457 CO 0.11 -0.28 1.68 -0.03 0.70 0.00 0.00 175.17 177.35 1kfd h MET 458 N 1.49 0.34 0.00 2.11 1.85 -1.98 0.24 114.93 118.98 1kfd h MET 458 Ca -0.47 -0.02 -0.08 0.00 -0.61 0.00 0.00 59.70 58.51 1kfd h MET 458 Cb 1.19 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 33.13 1kfd h MET 458 CO 0.65 0.22 -0.40 -0.44 -0.40 0.00 0.00 176.91 176.54 1kfd h ASP 459 N 0.35 0.00 -0.00 1.39 3.32 -1.97 -0.91 116.42 118.59 1kfd h ASP 459 Ca 0.57 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.61 1kfd h ASP 459 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1kfd h ASP 459 CO -0.56 0.40 -0.01 0.28 -1.72 0.00 0.00 179.24 177.62 1kfd h SER 460 N 0.00 0.02 -0.78 6.45 0.02 -1.28 -3.19 113.55 114.79 1kfd h SER 460 Ca -0.00 -0.71 0.06 0.00 -0.84 0.00 0.00 61.79 60.29 1kfd h SER 460 Cb 0.75 -0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.23 1kfd h SER 460 CO 0.05 0.73 0.47 -0.07 -1.14 0.00 0.00 176.83 176.87 1kfd h LEU 461 N -0.70 0.73 -1.42 5.07 3.38 -1.16 -0.98 115.31 120.24 1kfd h LEU 461 Ca -0.00 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1kfd h LEU 461 Cb 0.73 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1kfd h LEU 461 CO 0.00 0.47 0.42 0.00 0.09 0.00 0.00 178.44 179.42 1kfd h ALA 462 N 1.37 1.64 0.01 1.53 0.00 -1.23 0.42 119.26 123.01 1kfd h ALA 462 Ca 0.34 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1kfd h ALA 462 Cb 0.16 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1kfd h ALA 462 CO -0.17 0.29 -0.51 1.49 0.00 0.00 0.00 179.25 180.35 1kfd h GLU 463 N 0.76 0.33 0.54 0.00 4.81 -1.23 0.16 114.58 119.95 1kfd h GLU 463 Ca 0.25 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1kfd h GLU 463 Cb 0.06 0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.55 1kfd h GLU 463 CO -0.07 1.06 -0.26 0.00 -0.73 0.00 0.00 179.01 179.02 1kfd h ARG 464 N -0.25 -0.70 0.00 1.92 3.08 -0.43 -1.33 114.38 116.67 1kfd h ARG 464 Ca -0.07 0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1kfd h ARG 464 Cb 1.25 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 1kfd h ARG 464 CO 0.10 -0.46 -0.51 -1.49 -1.07 0.00 0.00 179.97 176.53 1kfd h TRP 465 N -0.85 0.00 0.00 3.04 4.06 -0.35 -3.37 115.95 118.47 1kfd h TRP 465 Ca -0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.88 1kfd h TRP 465 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 1kfd h TRP 465 CO 0.06 0.47 0.00 1.28 -3.56 0.00 0.00 178.44 176.69 1kfd n LEU 466 N -3.20 0.69 -3.67 -4.49 4.77 -0.50 -4.99 117.00 105.60 1kfd n LEU 466 Ca 0.02 -0.77 -0.28 0.00 -0.03 0.00 0.00 56.01 54.94 1kfd n LEU 466 Cb 0.73 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 1kfd n LEU 466 CO 0.40 0.17 0.04 0.29 -1.33 0.00 0.00 177.39 176.97 1kfd n LYS 467 N -0.18 -4.64 -4.82 3.23 4.01 0.34 -4.92 118.16 111.19 1kfd n LYS 467 Ca 0.00 0.58 -0.33 0.00 -0.51 0.00 0.00 58.31 58.05 1kfd n LYS 467 Cb 0.03 -5.40 -0.14 0.00 -0.51 0.00 0.00 35.03 29.01 1kfd n LYS 467 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1kfd s HIS 468 N -3.17 2.77 -0.36 2.13 2.46 0.10 -4.91 115.29 114.31 1kfd s HIS 468 Ca 0.55 -0.42 -0.16 0.00 0.47 0.00 0.00 55.06 55.50 1kfd s HIS 468 Cb -0.28 -1.75 -0.00 0.00 -0.13 0.00 0.00 32.58 30.41 1kfd s HIS 468 CO 0.68 -0.03 0.39 0.15 -2.47 0.00 0.00 174.74 173.46 1kfd s LYS 469 N -0.13 3.45 0.51 2.88 -0.14 -1.26 -2.90 119.74 122.15 1kfd s LYS 469 Ca -0.01 -0.49 -0.08 0.00 -1.36 0.00 0.00 55.97 54.03 1kfd s LYS 469 Cb -0.14 -3.85 -0.04 0.00 -1.68 0.00 0.00 37.83 32.13 1kfd s LYS 469 CO 0.03 -0.62 0.86 0.95 -0.76 0.00 0.00 175.35 175.82 1kfd s THR 470 N 2.07 4.82 -0.40 2.17 -4.23 -1.26 -5.02 115.64 113.79 1kfd s THR 470 Ca 0.12 0.48 -0.29 0.00 -1.18 0.00 0.00 61.69 60.83 1kfd s THR 470 Cb -0.17 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 69.84 1kfd s THR 470 CO 0.12 -0.88 1.46 -0.63 -0.54 0.00 0.00 174.62 174.16 1kfd s ILE 471 N -2.80 3.85 0.45 2.99 1.01 -1.26 -5.01 121.20 120.43 1kfd s ILE 471 Ca 0.50 0.86 -0.23 0.00 0.00 0.00 0.00 60.65 61.79 1kfd s ILE 471 Cb -0.10 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.15 1kfd s ILE 471 CO 0.45 -0.72 1.12 0.28 0.00 0.00 0.00 174.94 176.07 1kfd s THR 472 N 5.63 3.36 0.34 2.92 -1.32 -1.26 -4.95 115.64 120.35 1kfd s THR 472 Ca 0.64 0.99 0.09 0.00 -1.21 0.00 0.00 61.69 62.19 1kfd s THR 472 Cb -0.15 -3.48 0.32 0.00 -1.51 0.00 0.00 72.50 67.68 1kfd s THR 472 CO 0.33 -0.04 1.83 0.15 -2.21 0.00 0.00 174.62 174.67 1kfd h PHE 473 N 2.04 0.90 0.00 9.09 3.57 -1.98 -0.65 116.94 129.92 1kfd h PHE 473 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1kfd h PHE 473 Cb 1.24 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1kfd h PHE 473 CO 0.55 0.26 0.00 -0.85 -2.23 0.00 0.00 178.31 176.04 1kfd n GLU 474 N -4.63 0.28 0.08 1.11 0.00 -1.26 -1.50 120.64 114.72 1kfd n GLU 474 Ca 0.20 0.06 -0.10 0.00 0.00 0.00 0.00 57.16 57.32 1kfd n GLU 474 Cb 0.55 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.40 1kfd n GLU 474 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1kfd h GLU 475 N 0.00 0.15 0.00 3.44 5.08 -1.38 -1.10 114.58 120.77 1kfd h GLU 475 Ca 0.00 -0.22 -0.19 0.00 -1.00 0.00 0.00 59.36 57.95 1kfd h GLU 475 Cb 0.26 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1kfd h GLU 475 CO 0.00 1.06 -1.97 0.44 -1.00 0.00 0.00 179.01 177.54 1kfd n ILE 476 N -3.50 0.90 -0.08 3.13 -5.35 -1.06 -4.69 119.36 108.72 1kfd n ILE 476 Ca -0.04 -0.70 -0.08 0.00 -0.27 0.00 0.00 62.75 61.66 1kfd n ILE 476 Cb 0.93 -0.41 -0.11 0.00 -1.74 0.00 0.00 39.64 38.32 1kfd n ILE 476 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kfd n ALA 477 N -2.49 1.64 0.00 -1.28 0.00 -0.56 -4.95 120.51 112.87 1kfd n ALA 477 Ca -0.17 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1kfd n ALA 477 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.31 1kfd n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfd n GLY 478 N 2.23 -0.25 3.05 0.00 0.00 -0.41 -1.40 105.19 108.40 1kfd n GLY 478 Ca -0.25 -2.24 -0.09 0.00 0.00 0.00 0.00 46.02 43.44 1kfd n GLY 478 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfd s LYS 479 N 0.00 0.46 1.43 1.61 1.02 -1.26 -4.35 119.74 118.64 1kfd s LYS 479 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1kfd s LYS 479 Cb 0.00 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1kfd s LYS 479 CO 0.00 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1kfd n GLY 480 N 1.06 -1.82 0.37 -3.33 0.00 -1.26 -4.07 105.19 96.14 1kfd n GLY 480 Ca -0.20 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.55 1kfd n GLY 480 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kfd h LYS 481 N 0.00 0.60 -2.63 1.61 3.11 -2.03 -2.78 116.57 114.45 1kfd h LYS 481 Ca 0.00 -0.04 -0.74 0.00 -2.81 0.00 0.00 60.65 57.07 1kfd h LYS 481 Cb 0.00 -0.13 -0.33 0.00 -1.00 0.00 0.00 32.23 30.77 1kfd h LYS 481 CO 0.00 0.39 0.31 0.09 -2.81 0.00 0.00 179.45 177.43 1kfd n ASN 482 N -4.53 5.55 -4.61 4.20 3.02 -1.26 -4.91 115.26 112.72 1kfd n ASN 482 Ca 0.16 -3.44 -0.34 0.00 -0.03 0.00 0.00 54.58 50.92 1kfd n ASN 482 Cb 0.47 -1.05 -0.11 0.00 -0.61 0.00 0.00 39.78 38.48 1kfd n ASN 482 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1kfd s GLN 483 N -2.77 2.88 0.72 3.52 0.74 -1.05 -4.25 119.66 119.45 1kfd s GLN 483 Ca 0.35 -0.50 -0.11 0.00 0.05 0.00 0.00 55.36 55.14 1kfd s GLN 483 Cb 0.09 -2.67 0.03 0.00 1.10 0.00 0.00 33.01 31.56 1kfd s GLN 483 CO 0.06 0.65 1.11 -0.51 -0.55 0.00 0.00 175.29 176.04 1kfd s LEU 484 N -0.75 2.82 0.06 3.68 1.43 -0.49 -4.99 118.68 120.44 1kfd s LEU 484 Ca 0.11 1.03 0.01 0.00 -1.03 0.00 0.00 54.13 54.26 1kfd s LEU 484 Cb -0.11 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 1kfd s LEU 484 CO 0.02 -1.46 0.14 0.28 0.23 0.00 0.00 176.35 175.56 1kfd s THR 485 N -3.39 4.96 0.32 5.49 -1.32 -1.26 -4.90 115.64 115.54 1kfd s THR 485 Ca 0.59 -0.56 0.10 0.00 -1.21 0.00 0.00 61.69 60.62 1kfd s THR 485 Cb -0.11 -3.40 0.32 0.00 -1.51 0.00 0.00 72.50 67.80 1kfd s THR 485 CO 0.51 0.15 1.68 0.15 -2.21 0.00 0.00 174.62 174.90 1kfd h PHE 486 N 3.26 0.82 0.00 9.09 3.57 -1.88 0.13 116.94 131.94 1kfd h PHE 486 Ca -0.46 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1kfd h PHE 486 Cb 1.16 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1kfd h PHE 486 CO 0.61 -0.12 0.00 0.27 -2.23 0.00 0.00 178.31 176.84 1kfd n ASN 487 N -5.05 0.00 0.00 0.41 6.94 -1.26 -1.58 115.26 114.73 1kfd n ASN 487 Ca 0.28 0.25 0.11 0.00 -0.02 0.00 0.00 54.58 55.20 1kfd n ASN 487 Cb 0.86 -0.34 -0.12 0.00 -2.36 0.00 0.00 39.78 37.82 1kfd n ASN 487 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kfd n GLN 488 N -1.34 0.40 -2.62 -3.83 6.02 0.45 -1.75 117.38 114.70 1kfd n GLN 488 Ca 0.04 -0.10 -0.37 0.00 -0.01 0.00 0.00 57.00 56.56 1kfd n GLN 488 Cb 0.08 -1.54 -0.05 0.00 1.02 0.00 0.00 30.24 29.75 1kfd n GLN 488 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1kfd s ILE 489 N -3.30 3.89 0.55 5.09 1.01 -0.61 -4.81 121.20 123.02 1kfd s ILE 489 Ca -0.01 1.51 -0.21 0.00 0.00 0.00 0.00 60.65 61.93 1kfd s ILE 489 Cb 0.15 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 1kfd s ILE 489 CO 0.88 0.07 1.34 0.00 0.00 0.00 0.00 174.94 177.22 1kfd s ALA 490 N -1.62 2.78 0.20 9.38 0.00 -1.26 -4.76 121.76 126.47 1kfd s ALA 490 Ca 0.54 1.29 -0.14 0.00 0.00 0.00 0.00 51.96 53.65 1kfd s ALA 490 Cb -0.21 -3.55 0.20 0.00 0.00 0.00 0.00 23.12 19.55 1kfd s ALA 490 CO 0.27 -1.35 1.64 -0.07 0.00 0.00 0.00 175.76 176.25 1kfd h LEU 491 N 1.39 -0.53 -0.59 0.00 4.07 -1.96 -0.06 115.31 117.62 1kfd h LEU 491 Ca -0.51 0.17 -0.14 0.00 0.08 0.00 0.00 57.88 57.48 1kfd h LEU 491 Cb 1.30 0.36 -0.02 0.00 1.08 0.00 0.00 40.66 43.38 1kfd h LEU 491 CO 0.57 -0.19 -0.68 -0.33 -1.08 0.00 0.00 178.44 176.73 1kfd h GLU 492 N -0.00 0.00 -0.11 1.13 4.39 -1.98 -0.16 114.58 117.85 1kfd h GLU 492 Ca 0.28 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.74 1kfd h GLU 492 Cb 0.42 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1kfd h GLU 492 CO -0.59 0.68 -0.86 0.93 -1.16 0.00 0.00 179.01 178.01 1kfd h GLU 493 N 0.00 0.76 -0.74 2.33 4.39 -1.82 -2.59 114.58 116.91 1kfd h GLU 493 Ca -0.01 -0.68 0.02 0.00 0.34 0.00 0.00 59.36 59.04 1kfd h GLU 493 Cb 1.24 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.00 1kfd h GLU 493 CO 0.09 1.28 0.47 0.00 -1.16 0.00 0.00 179.01 179.69 1kfd h ALA 494 N 0.52 0.96 -0.35 3.43 0.00 -0.94 -3.06 119.26 119.82 1kfd h ALA 494 Ca -0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1kfd h ALA 494 Cb 1.50 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1kfd h ALA 494 CO 0.17 0.28 0.16 0.78 0.00 0.00 0.00 179.25 180.65 1kfd h GLY 495 N 0.93 0.54 0.66 0.00 0.00 -0.99 -1.08 103.07 103.13 1kfd h GLY 495 Ca 0.29 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.40 1kfd h GLY 495 CO -0.10 0.26 0.16 3.21 0.00 0.00 0.00 176.54 180.07 1kfd h ARG 496 N 0.42 0.33 0.68 4.80 3.08 -1.39 0.26 114.38 122.55 1kfd h ARG 496 Ca 0.12 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1kfd h ARG 496 Cb 0.13 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1kfd h ARG 496 CO -0.01 0.22 -0.33 -0.92 -1.07 0.00 0.00 179.97 177.86 1kfd h TYR 497 N 0.34 -0.85 -0.42 3.04 3.20 -1.47 -2.02 116.97 118.80 1kfd h TYR 497 Ca 0.19 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1kfd h TYR 497 Cb 0.16 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1kfd h TYR 497 CO -0.14 -0.49 0.15 0.00 -1.64 0.00 0.00 178.16 176.04 1kfd h ALA 498 N -0.92 0.54 -0.37 1.82 0.00 -1.14 -0.89 119.26 118.29 1kfd h ALA 498 Ca -0.09 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1kfd h ALA 498 Cb 0.73 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1kfd h ALA 498 CO 0.15 0.16 -0.16 0.00 0.00 0.00 0.00 179.25 179.41 1kfd h ALA 499 N 1.00 1.02 -0.53 0.00 0.00 -1.06 -2.32 119.26 117.37 1kfd h ALA 499 Ca 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1kfd h ALA 499 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1kfd h ALA 499 CO -0.01 0.59 0.28 1.49 0.00 0.00 0.00 179.25 181.59 1kfd h GLU 500 N 0.62 0.76 -0.57 0.00 4.81 -1.01 -0.26 114.58 118.92 1kfd h GLU 500 Ca 0.10 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1kfd h GLU 500 Cb 0.62 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 1kfd h GLU 500 CO 0.04 0.60 0.22 -0.44 -0.73 0.00 0.00 179.01 178.71 1kfd h ASP 501 N 0.72 0.24 -0.21 1.04 3.32 -0.88 0.91 116.42 121.55 1kfd h ASP 501 Ca 0.19 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 1kfd h ASP 501 Cb 0.08 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1kfd h ASP 501 CO -0.03 0.15 0.09 0.00 -1.72 0.00 0.00 179.24 177.73 1kfd h ALA 502 N 1.38 0.27 0.89 3.45 0.00 -0.87 -2.59 119.26 121.79 1kfd h ALA 502 Ca 0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1kfd h ALA 502 Cb 0.31 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1kfd h ALA 502 CO -0.27 -0.15 -0.43 0.22 0.00 0.00 0.00 179.25 178.62 1kfd h ASP 503 N 0.19 -1.01 -0.69 0.00 3.58 -0.53 -2.71 116.42 115.25 1kfd h ASP 503 Ca 0.07 0.03 0.14 0.00 0.42 0.00 0.00 57.03 57.69 1kfd h ASP 503 Cb 0.16 0.26 -0.10 0.00 1.72 0.00 0.00 39.33 41.37 1kfd h ASP 503 CO -0.01 -0.68 0.20 0.58 -2.88 0.00 0.00 179.24 176.46 1kfd h VAL 504 N -1.28 0.61 -0.74 2.25 2.07 -0.91 -0.63 116.25 117.62 1kfd h VAL 504 Ca -0.12 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.40 1kfd h VAL 504 Cb 0.92 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 1kfd h VAL 504 CO 0.20 0.06 0.35 0.74 0.02 0.00 0.00 177.57 178.94 1kfd h THR 505 N 0.32 0.77 -0.29 2.57 2.02 -1.41 -0.62 112.91 116.27 1kfd h THR 505 Ca 0.38 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 1kfd h THR 505 Cb 0.59 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1kfd h THR 505 CO -0.43 0.10 -0.06 0.25 0.37 0.00 0.00 175.52 175.74 1kfd h LEU 506 N 0.55 0.56 -0.41 2.58 5.85 -0.83 -0.77 115.31 122.84 1kfd h LEU 506 Ca 0.39 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1kfd h LEU 506 Cb 0.49 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1kfd h LEU 506 CO -0.33 0.79 0.24 1.56 -0.34 0.00 0.00 178.44 180.36 1kfd h GLN 507 N 0.32 0.47 -0.77 1.25 4.20 -0.49 -1.40 115.11 118.68 1kfd h GLN 507 Ca 0.07 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1kfd h GLN 507 Cb 0.54 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 1kfd h GLN 507 CO 0.03 0.31 0.50 -0.07 -0.67 0.00 0.00 178.83 178.93 1kfd h LEU 508 N 0.49 0.85 -0.22 1.46 3.38 -1.05 -1.11 115.31 119.11 1kfd h LEU 508 Ca 0.16 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1kfd h LEU 508 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1kfd h LEU 508 CO -0.07 0.61 0.08 -0.74 0.09 0.00 0.00 178.44 178.40 1kfd h HIS 509 N 1.01 0.14 -0.28 1.13 2.76 -0.52 -0.66 115.15 118.73 1kfd h HIS 509 Ca 0.29 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.46 1kfd h HIS 509 Cb -0.06 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1kfd h HIS 509 CO -0.02 0.07 0.09 -0.07 -1.30 0.00 0.00 177.93 176.69 1kfd h LEU 510 N 0.18 0.36 0.00 0.26 4.07 -0.51 -0.16 115.31 119.51 1kfd h LEU 510 Ca 0.10 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1kfd h LEU 510 Cb 0.06 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1kfd h LEU 510 CO -0.10 0.35 -0.27 0.29 -1.08 0.00 0.00 178.44 177.64 1kfd n LYS 511 N -4.40 0.16 -0.04 1.13 5.02 -0.49 -4.37 118.16 115.17 1kfd n LYS 511 Ca 0.01 0.09 -0.04 0.00 -2.02 0.00 0.00 58.31 56.35 1kfd n LYS 511 Cb 0.15 -1.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.45 1kfd n LYS 511 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1kfd n MET 512 N -1.90 2.45 -0.04 1.97 2.81 -0.30 -4.62 117.12 117.49 1kfd n MET 512 Ca 0.05 -0.01 -0.10 0.00 -1.81 0.00 0.00 57.70 55.83 1kfd n MET 512 Cb 0.39 -1.22 -0.04 0.00 -0.71 0.00 0.00 33.22 31.64 1kfd n MET 512 CO 0.00 0.00 0.00 2.35 1.51 0.00 0.00 175.97 179.83 1kfd h TRP 513 N 0.00 0.23 -0.41 2.03 -0.00 -1.26 -1.36 115.95 115.18 1kfd h TRP 513 Ca -0.22 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.66 1kfd h TRP 513 Cb 1.47 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 30.53 1kfd h TRP 513 CO 0.00 0.19 0.22 -1.35 -0.00 0.00 0.00 178.44 177.50 1kfd h PRO 514 N 0.21 0.56 -0.44 2.65 0.11 -1.82 -1.81 132.00 131.45 1kfd h PRO 514 Ca 0.06 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 1kfd h PRO 514 Cb 0.03 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 1kfd h PRO 514 CO -0.01 0.41 0.08 -0.44 -0.21 0.00 0.00 178.00 177.83 1kfd h ASP 515 N 0.56 0.69 0.10 -2.05 5.19 -1.76 -2.80 116.42 116.34 1kfd h ASP 515 Ca 0.15 -0.25 -0.02 0.00 -0.62 0.00 0.00 57.03 56.29 1kfd h ASP 515 Cb 0.01 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.34 1kfd h ASP 515 CO -0.02 0.77 -0.08 0.25 -3.12 0.00 0.00 179.24 177.03 1kfd h LEU 516 N 0.58 0.00 -1.00 1.55 6.46 -0.40 -1.73 115.31 120.77 1kfd h LEU 516 Ca 0.13 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.79 1kfd h LEU 516 Cb 0.37 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1kfd h LEU 516 CO 0.01 0.08 -0.46 1.56 -0.62 0.00 0.00 178.44 179.00 1kfd h GLN 517 N 0.00 0.08 -0.09 1.25 4.20 -1.19 -3.19 115.11 116.16 1kfd h GLN 517 Ca -0.00 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.70 1kfd h GLN 517 Cb 0.15 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1kfd h GLN 517 CO 0.01 0.53 0.33 0.87 -0.67 0.00 0.00 178.83 179.90 1kfd h LYS 518 N 0.06 0.00 -3.05 1.46 1.79 -1.22 -3.37 116.57 112.24 1kfd h LYS 518 Ca 0.00 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.99 1kfd h LYS 518 Cb 0.85 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.09 1kfd h LYS 518 CO 0.06 0.00 -0.76 -3.38 -1.08 0.00 0.00 179.45 174.30 1kfd s HIS 519 N -4.23 0.34 0.57 -1.35 -3.43 -1.21 -4.99 115.29 100.99 1kfd s HIS 519 Ca -0.04 -0.53 0.30 0.00 -0.80 0.00 0.00 55.06 53.99 1kfd s HIS 519 Cb 0.11 -0.80 1.63 0.00 -1.43 0.00 0.00 32.58 32.09 1kfd s HIS 519 CO 0.35 -0.60 1.91 -0.22 -2.00 0.00 0.00 174.74 174.17 1kfd h LYS 520 N 8.39 0.00 0.00 -0.38 1.63 -1.83 -0.89 116.57 123.49 1kfd h LYS 520 Ca -0.16 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1kfd h LYS 520 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1kfd h LYS 520 CO 0.33 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.74 1kfd n GLY 521 N -1.21 -1.51 0.35 5.01 0.00 -1.26 -1.87 105.19 104.70 1kfd n GLY 521 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.15 1kfd n GLY 521 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1kfd h PRO 522 N 0.00 0.13 -0.21 1.61 0.11 -1.52 -0.90 132.00 131.23 1kfd h PRO 522 Ca 0.00 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 1kfd h PRO 522 Cb 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1kfd h PRO 522 CO 0.00 0.09 -0.40 1.25 -0.21 0.00 0.00 178.00 178.72 1kfd h LEU 523 N 0.14 0.51 -0.17 2.35 7.12 -1.24 -1.79 115.31 122.21 1kfd h LEU 523 Ca 0.21 -0.22 -0.04 0.00 0.13 0.00 0.00 57.88 57.96 1kfd h LEU 523 Cb 0.67 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 1kfd h LEU 523 CO -0.03 0.86 -0.05 -1.13 -0.13 0.00 0.00 178.44 177.96 1kfd h ASN 524 N 0.40 0.35 -0.35 1.25 -1.24 -0.42 -1.21 115.58 114.36 1kfd h ASN 524 Ca 0.04 -0.38 -0.01 0.00 0.71 0.00 0.00 56.30 56.66 1kfd h ASN 524 Cb 0.88 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.82 1kfd h ASN 524 CO 0.07 0.65 0.19 0.58 -1.29 0.00 0.00 177.43 177.64 1kfd h VAL 525 N 0.05 1.14 0.03 2.57 2.07 -1.50 0.18 116.25 120.79 1kfd h VAL 525 Ca 0.04 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1kfd h VAL 525 Cb 0.51 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1kfd h VAL 525 CO 0.02 0.14 -0.01 0.15 0.02 0.00 0.00 177.57 177.89 1kfd h PHE 526 N 0.44 -0.04 -0.30 1.57 3.57 -1.30 0.24 116.94 121.12 1kfd h PHE 526 Ca 0.12 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.47 1kfd h PHE 526 Cb 0.06 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1kfd h PHE 526 CO -0.03 0.13 -0.40 0.93 -2.23 0.00 0.00 178.31 176.71 1kfd h GLU 527 N -0.19 0.80 -0.01 1.11 5.08 -1.13 -0.48 114.58 119.75 1kfd h GLU 527 Ca -0.00 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1kfd h GLU 527 Cb 0.18 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1kfd h GLU 527 CO 0.01 1.09 -0.15 0.09 -1.00 0.00 0.00 179.01 179.05 1kfd n ASN 528 N -4.14 1.79 0.08 1.42 4.13 0.61 -4.38 115.26 114.77 1kfd n ASN 528 Ca -0.04 -1.40 0.00 0.00 1.68 0.00 0.00 54.58 54.82 1kfd n ASN 528 Cb 0.55 0.25 0.00 0.00 -1.54 0.00 0.00 39.78 39.04 1kfd n ASN 528 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1kfd n ILE 529 N 0.28 0.80 0.19 2.41 5.41 -0.40 -4.81 119.36 123.23 1kfd n ILE 529 Ca 0.07 0.26 -0.15 0.00 1.00 0.00 0.00 62.75 63.94 1kfd n ILE 529 Cb 0.32 -1.21 -0.08 0.00 -0.71 0.00 0.00 39.64 37.96 1kfd n ILE 529 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1kfd h GLU 530 N 0.00 -0.41 0.20 0.38 3.07 -0.57 -3.26 114.58 113.99 1kfd h GLU 530 Ca 0.00 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1kfd h GLU 530 Cb 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1kfd h GLU 530 CO 0.00 -0.22 -0.10 1.98 -1.40 0.00 0.00 179.01 179.27 1kfd h MET 531 N -0.50 -0.26 -0.07 2.33 4.05 -1.31 -2.94 114.93 116.24 1kfd h MET 531 Ca -0.04 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1kfd h MET 531 Cb 0.37 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1kfd h MET 531 CO 0.07 0.02 0.17 -1.35 0.23 0.00 0.00 176.91 176.05 1kfd h PRO 532 N -0.53 0.00 0.00 0.39 0.10 -1.76 -1.98 132.00 128.22 1kfd h PRO 532 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.07 1kfd h PRO 532 Cb 0.40 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.50 1kfd h PRO 532 CO 0.04 0.00 0.00 1.25 0.10 0.00 0.00 178.00 179.39 1kfd h LEU 533 N 0.00 0.00 -0.15 2.35 5.85 -1.56 -3.36 115.31 118.45 1kfd h LEU 533 Ca 0.03 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1kfd h LEU 533 Cb 0.37 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1kfd h LEU 533 CO -0.00 0.00 -0.10 0.58 -0.34 0.00 0.00 178.44 178.58 1kfd h VAL 534 N 0.00 0.70 0.00 1.05 2.07 -1.39 -0.44 116.25 118.24 1kfd h VAL 534 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1kfd h VAL 534 Cb 0.84 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1kfd h VAL 534 CO 0.00 0.00 -0.00 1.55 0.02 0.00 0.00 177.57 179.14 1kfd h PRO 535 N -0.10 0.00 0.10 1.57 0.13 -1.80 -2.94 132.00 128.95 1kfd h PRO 535 Ca 0.09 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.93 1kfd h PRO 535 Cb 0.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 1kfd h PRO 535 CO -0.21 0.00 -1.46 -0.39 -0.23 0.00 0.00 178.00 175.71 1kfd h VAL 536 N 0.00 1.22 -0.67 1.56 -1.51 -1.36 -2.12 116.25 113.37 1kfd h VAL 536 Ca -0.00 -2.88 0.01 0.00 -1.23 0.00 0.00 66.70 62.60 1kfd h VAL 536 Cb 0.60 2.76 -0.03 0.00 -2.13 0.00 0.00 31.29 32.48 1kfd h VAL 536 CO 0.00 0.82 0.45 -0.07 -1.23 0.00 0.00 177.57 177.53 1kfd h LEU 537 N 0.05 0.76 -0.72 4.19 3.38 -1.11 0.19 115.31 122.05 1kfd h LEU 537 Ca -0.21 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1kfd h LEU 537 Cb 1.98 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 1kfd h LEU 537 CO 0.15 0.54 0.38 -1.28 0.09 0.00 0.00 178.44 178.33 1kfd h SER 538 N 0.89 0.91 0.14 -0.43 0.87 -1.44 0.65 113.55 115.15 1kfd h SER 538 Ca 0.25 -0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.55 1kfd h SER 538 Cb -0.07 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 1kfd h SER 538 CO -0.06 0.76 -0.56 0.03 -0.53 0.00 0.00 176.83 176.47 1kfd h ARG 539 N 1.00 0.45 0.19 2.24 3.08 -0.52 -1.40 114.38 119.41 1kfd h ARG 539 Ca 0.25 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1kfd h ARG 539 Cb 0.06 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1kfd h ARG 539 CO -0.04 0.89 -0.09 0.82 -1.07 0.00 0.00 179.97 180.48 1kfd h ILE 540 N 0.34 0.86 -0.65 2.04 1.08 -0.19 -2.34 117.51 118.65 1kfd h ILE 540 Ca 0.00 -0.26 -0.08 0.00 -0.39 0.00 0.00 64.86 64.14 1kfd h ILE 540 Cb 1.09 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 1kfd h ILE 540 CO 0.10 0.06 0.09 -0.33 -0.69 0.00 0.00 178.15 177.38 1kfd h GLU 541 N -0.38 1.08 0.00 2.37 5.08 -0.84 -2.69 114.58 119.19 1kfd h GLU 541 Ca -0.03 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 1kfd h GLU 541 Cb 0.30 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1kfd h GLU 541 CO 0.04 1.00 -0.26 0.00 -1.00 0.00 0.00 179.01 178.79 1kfd h ARG 542 N 1.01 0.00 -0.51 2.33 3.08 -1.24 -3.11 114.38 115.93 1kfd h ARG 542 Ca 0.20 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 1kfd h ARG 542 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1kfd h ARG 542 CO 0.01 0.26 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.11 1kfd h ASN 543 N 0.00 1.02 -3.77 7.04 -0.26 -1.08 -3.49 115.58 115.04 1kfd h ASN 543 Ca -0.00 -0.36 0.14 0.00 -0.56 0.00 0.00 56.30 55.52 1kfd h ASN 543 Cb 0.95 -0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 37.89 1kfd h ASN 543 CO 0.03 1.15 -0.23 0.61 -1.06 0.00 0.00 177.43 177.93 1kfd n GLY 544 N -0.21 -1.74 3.18 2.83 0.00 -1.15 -4.91 105.19 103.19 1kfd n GLY 544 Ca 0.01 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 1kfd n GLY 544 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfd s VAL 545 N -1.79 1.62 -0.16 1.61 0.11 0.14 -4.79 120.40 117.15 1kfd s VAL 545 Ca 0.00 -0.83 -0.27 0.00 -2.93 0.00 0.00 61.98 57.95 1kfd s VAL 545 Cb 0.00 -1.38 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 1kfd s VAL 545 CO 0.00 0.46 0.89 -0.75 -3.33 0.00 0.00 175.10 172.37 1kfd s LYS 546 N -0.09 4.32 -0.03 1.54 2.47 -1.26 -0.79 119.74 125.90 1kfd s LYS 546 Ca -0.02 1.13 0.06 0.00 -1.56 0.00 0.00 55.97 55.59 1kfd s LYS 546 Cb -0.12 -3.57 -0.01 0.00 -1.46 0.00 0.00 37.83 32.67 1kfd s LYS 546 CO 0.02 -0.35 -0.23 0.42 0.16 0.00 0.00 175.35 175.37 1kfd s ILE 547 N 2.21 1.82 -0.52 5.43 1.01 -1.26 -1.01 121.20 128.88 1kfd s ILE 547 Ca 0.41 -0.96 -0.22 0.00 0.00 0.00 0.00 60.65 59.88 1kfd s ILE 547 Cb -0.17 -1.52 0.05 0.00 0.01 0.00 0.00 42.46 40.82 1kfd s ILE 547 CO 0.13 0.51 0.77 -0.62 0.00 0.00 0.00 174.94 175.73 1kfd s ASP 548 N -0.35 6.29 0.43 3.58 -1.08 0.01 -4.94 116.67 120.62 1kfd s ASP 548 Ca 0.04 -0.59 0.28 0.00 -0.52 0.00 0.00 52.55 51.76 1kfd s ASP 548 Cb -0.11 -2.36 0.96 0.00 -1.46 0.00 0.00 42.92 39.96 1kfd s ASP 548 CO 0.01 -1.03 1.81 1.55 0.52 0.00 0.00 175.17 178.03 1kfd h PRO 549 N 9.12 0.00 -0.20 4.34 0.13 -1.96 -3.11 132.00 140.32 1kfd h PRO 549 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1kfd h PRO 549 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1kfd h PRO 549 CO 1.01 0.00 0.04 -0.22 -0.23 0.00 0.00 178.00 178.60 1kfd h LYS 550 N 0.00 0.33 -0.11 0.86 3.64 -1.98 0.20 116.57 119.51 1kfd h LYS 550 Ca 0.00 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1kfd h LYS 550 Cb 0.64 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 1kfd h LYS 550 CO 0.00 0.48 -0.13 0.28 -2.27 0.00 0.00 179.45 177.81 1kfd h VAL 551 N 0.13 0.64 -0.31 2.00 2.07 -1.96 0.16 116.25 118.98 1kfd h VAL 551 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1kfd h VAL 551 Cb 0.31 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1kfd h VAL 551 CO 0.00 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.62 1kfd h LEU 552 N -0.17 0.40 -0.23 2.57 4.07 -1.50 0.18 115.31 120.63 1kfd h LEU 552 Ca 0.08 -0.04 -0.11 0.00 0.08 0.00 0.00 57.88 57.89 1kfd h LEU 552 Cb 0.29 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 1kfd h LEU 552 CO -0.21 0.39 -0.28 -0.74 -1.08 0.00 0.00 178.44 176.52 1kfd h HIS 553 N 0.44 0.72 -0.59 1.13 2.76 0.95 -1.17 115.15 119.40 1kfd h HIS 553 Ca 0.11 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 1kfd h HIS 553 Cb 0.14 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 1kfd h HIS 553 CO 0.00 0.95 0.39 -0.91 -1.30 0.00 0.00 177.93 177.06 1kfd h ASN 554 N 0.29 0.68 -0.51 3.26 2.35 -0.03 -1.23 115.58 120.40 1kfd h ASN 554 Ca 0.03 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1kfd h ASN 554 Cb 0.85 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 1kfd h ASN 554 CO 0.07 0.50 0.24 -0.74 -1.65 0.00 0.00 177.43 175.84 1kfd h HIS 555 N 0.80 0.78 -0.44 1.19 2.76 -0.90 -0.84 115.15 118.50 1kfd h HIS 555 Ca 0.22 -0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.22 1kfd h HIS 555 Cb -0.09 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.62 1kfd h HIS 555 CO -0.03 0.60 -0.26 1.03 -1.30 0.00 0.00 177.93 177.97 1kfd h SER 556 N 0.78 0.97 0.14 3.26 0.87 -0.27 -1.55 113.55 117.76 1kfd h SER 556 Ca 0.19 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 1kfd h SER 556 Cb 0.13 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1kfd h SER 556 CO -0.02 1.17 -0.07 -0.33 -0.53 0.00 0.00 176.83 177.05 1kfd h GLU 557 N 0.80 -0.18 -0.23 2.24 4.39 -0.76 -2.03 114.58 118.81 1kfd h GLU 557 Ca 0.10 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.84 1kfd h GLU 557 Cb 0.83 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 1kfd h GLU 557 CO 0.07 -0.04 0.02 1.49 -1.16 0.00 0.00 179.01 179.40 1kfd h GLU 558 N -0.29 0.10 -0.29 2.33 4.81 -1.12 -2.39 114.58 117.72 1kfd h GLU 558 Ca -0.02 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1kfd h GLU 558 Cb 0.23 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1kfd h GLU 558 CO 0.03 0.06 0.14 -0.07 -0.73 0.00 0.00 179.01 178.45 1kfd h LEU 559 N 0.10 0.35 -0.03 1.64 3.38 -1.20 0.23 115.31 119.78 1kfd h LEU 559 Ca 0.11 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1kfd h LEU 559 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1kfd h LEU 559 CO -0.17 0.30 -0.07 0.74 0.09 0.00 0.00 178.44 179.34 1kfd h THR 560 N 0.40 0.81 -0.43 0.22 2.02 -0.88 -0.57 112.91 114.49 1kfd h THR 560 Ca 0.10 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.23 1kfd h THR 560 Cb 0.04 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1kfd h THR 560 CO -0.02 0.00 0.07 -0.07 0.37 0.00 0.00 175.52 175.88 1kfd h LEU 561 N -0.11 0.68 -1.27 2.58 3.38 -0.99 -2.50 115.31 117.08 1kfd h LEU 561 Ca 0.04 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1kfd h LEU 561 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1kfd h LEU 561 CO -0.10 0.76 -0.14 0.03 0.09 0.00 0.00 178.44 179.09 1kfd h ARG 562 N 0.57 0.33 -0.02 1.13 3.08 -0.84 -0.27 114.38 118.37 1kfd h ARG 562 Ca 0.13 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 1kfd h ARG 562 Cb 0.37 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1kfd h ARG 562 CO 0.01 0.47 -0.68 -0.07 -1.07 0.00 0.00 179.97 178.63 1kfd h LEU 563 N 0.31 0.10 0.29 3.04 3.38 -0.99 -1.09 115.31 120.35 1kfd h LEU 563 Ca 0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1kfd h LEU 563 Cb 0.44 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1kfd h LEU 563 CO 0.03 0.75 -0.14 0.00 0.09 0.00 0.00 178.44 179.16 1kfd h ALA 564 N 1.25 -0.39 -0.75 1.53 0.00 -0.92 -2.31 119.26 117.67 1kfd h ALA 564 Ca -0.01 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1kfd h ALA 564 Cb 1.21 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1kfd h ALA 564 CO 0.09 -0.59 0.44 0.93 0.00 0.00 0.00 179.25 180.13 1kfd h GLU 565 N -0.67 0.78 -0.16 0.00 3.07 -1.03 -1.00 114.58 115.59 1kfd h GLU 565 Ca -0.04 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.70 1kfd h GLU 565 Cb 0.47 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1kfd h GLU 565 CO 0.07 0.52 -0.21 -0.07 -1.40 0.00 0.00 179.01 177.91 1kfd h LEU 566 N 0.81 0.26 -0.25 1.33 3.38 -1.20 0.15 115.31 119.79 1kfd h LEU 566 Ca 0.33 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 1kfd h LEU 566 Cb 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1kfd h LEU 566 CO -0.18 0.49 -0.09 -0.08 0.09 0.00 0.00 178.44 178.67 1kfd h GLU 567 N 0.25 0.50 -0.93 1.13 4.81 -0.79 -2.54 114.58 117.02 1kfd h GLU 567 Ca 0.04 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1kfd h GLU 567 Cb 0.52 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1kfd h GLU 567 CO 0.04 0.75 0.54 0.87 -0.73 0.00 0.00 179.01 180.47 1kfd h LYS 568 N 0.24 1.28 -0.34 1.92 1.57 -0.53 -2.00 116.57 118.72 1kfd h LYS 568 Ca 0.06 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1kfd h LYS 568 Cb 0.58 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1kfd h LYS 568 CO 0.03 0.91 0.21 0.87 -0.57 0.00 0.00 179.45 180.91 1kfd h LYS 569 N 1.30 0.42 0.00 3.15 1.57 -0.52 -1.45 116.57 121.04 1kfd h LYS 569 Ca 0.33 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.02 1kfd h LYS 569 Cb -0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1kfd h LYS 569 CO -0.06 0.28 -0.31 0.00 -0.57 0.00 0.00 179.45 178.79 1kfd h ALA 570 N 1.14 1.12 -0.01 3.86 0.00 -1.20 -2.46 119.26 121.71 1kfd h ALA 570 Ca 0.13 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1kfd h ALA 570 Cb -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1kfd h ALA 570 CO -0.04 0.38 -0.77 0.45 0.00 0.00 0.00 179.25 179.28 1kfd h HIS 571 N 0.00 0.12 -0.41 0.00 3.86 -0.91 -2.80 115.15 115.00 1kfd h HIS 571 Ca -0.00 -0.06 -0.09 0.00 -1.16 0.00 0.00 60.37 59.06 1kfd h HIS 571 Cb 0.72 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 1kfd h HIS 571 CO 0.00 0.81 -0.10 1.49 0.86 0.00 0.00 177.93 180.99 1kfd h GLU 572 N 0.05 0.73 -2.54 2.45 4.81 -0.89 -3.01 114.58 116.18 1kfd h GLU 572 Ca -0.02 -0.23 -0.67 0.00 -0.13 0.00 0.00 59.36 58.32 1kfd h GLU 572 Cb 1.35 -0.07 -0.11 0.00 0.63 0.00 0.00 28.75 30.55 1kfd h GLU 572 CO 0.11 0.81 2.15 -0.89 -0.73 0.00 0.00 179.01 180.45 1kfd n ILE 573 N -4.17 4.69 0.00 2.32 5.41 -0.96 -5.12 119.36 121.53 1kfd n ILE 573 Ca 0.01 -3.73 0.00 0.00 1.00 0.00 0.00 62.75 60.03 1kfd n ILE 573 Cb 0.35 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.22 1kfd n ILE 573 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kfd n ALA 574 N 1.87 0.00 0.00 -1.39 0.00 -1.14 -4.93 120.51 114.92 1kfd n ALA 574 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1kfd n ALA 574 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1kfd n ALA 574 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1kfd n ASP 620 N 0.00 0.00 -4.02 0.00 8.00 -1.26 -5.05 116.55 114.23 1kfd n ASP 620 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1kfd n ASP 620 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 1kfd n ASP 620 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1kfd s TYR 621 N 0.00 2.54 0.28 1.24 1.51 -1.26 -5.05 117.35 116.60 1kfd s TYR 621 Ca 0.00 -1.67 0.02 0.00 -1.01 0.00 0.00 57.07 54.41 1kfd s TYR 621 Cb 0.00 -1.70 0.61 0.00 -0.11 0.00 0.00 41.96 40.77 1kfd s TYR 621 CO 0.00 -0.76 1.77 -1.00 -1.11 0.00 0.00 175.55 174.45 1kfd h PRO 622 N 7.95 0.67 -0.31 -1.71 0.13 -2.04 -3.00 132.00 133.69 1kfd h PRO 622 Ca -0.29 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.72 1kfd h PRO 622 Cb 1.10 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1kfd h PRO 622 CO 0.49 0.45 -0.11 1.25 -0.23 0.00 0.00 178.00 179.85 1kfd h LEU 623 N 0.69 0.64 -2.96 1.56 5.85 -1.96 -2.72 115.31 116.41 1kfd h LEU 623 Ca 0.51 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1kfd h LEU 623 Cb 0.74 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1kfd h LEU 623 CO -0.37 0.88 0.02 -2.65 -0.34 0.00 0.00 178.44 175.98 1kfd n PRO 624 N -4.42 1.03 0.10 5.25 -0.02 -1.13 -2.69 135.00 133.11 1kfd n PRO 624 Ca -0.03 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1kfd n PRO 624 Cb 0.35 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 1kfd n PRO 624 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1kfd n LYS 625 N 1.40 0.00 0.06 -0.52 3.00 -1.10 -4.68 118.16 116.32 1kfd n LYS 625 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1kfd n LYS 625 Cb 0.50 -0.18 0.32 0.00 0.00 0.00 0.00 35.03 35.68 1kfd n LYS 625 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1kfd h VAL 626 N 0.00 1.20 -0.49 3.15 -1.51 -1.42 -1.88 116.25 115.30 1kfd h VAL 626 Ca 0.00 -0.89 -0.10 0.00 -1.23 0.00 0.00 66.70 64.49 1kfd h VAL 626 Cb 0.05 1.16 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 1kfd h VAL 626 CO 0.00 0.29 -0.07 0.16 -1.23 0.00 0.00 177.57 176.72 1kfd h ILE 627 N 0.35 1.27 -0.37 7.19 3.07 -1.80 -0.86 117.51 126.37 1kfd h ILE 627 Ca 0.07 -1.18 -0.02 0.00 1.55 0.00 0.00 64.86 65.28 1kfd h ILE 627 Cb 0.42 1.03 -0.02 0.00 -0.27 0.00 0.00 36.82 37.99 1kfd h ILE 627 CO 0.02 0.41 0.15 0.25 -1.05 0.00 0.00 178.15 177.93 1kfd h LEU 628 N 0.77 0.50 -1.06 0.16 5.85 -1.73 -1.00 115.31 118.80 1kfd h LEU 628 Ca 0.13 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1kfd h LEU 628 Cb 0.61 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1kfd h LEU 628 CO 0.04 0.53 0.64 -0.08 -0.34 0.00 0.00 178.44 179.22 1kfd h GLU 629 N 0.45 1.25 0.76 1.25 4.22 -1.22 -1.35 114.58 119.95 1kfd h GLU 629 Ca 0.12 -0.08 -0.04 0.00 0.08 0.00 0.00 59.36 59.45 1kfd h GLU 629 Cb 0.18 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1kfd h GLU 629 CO -0.01 0.83 -0.39 -0.92 -2.18 0.00 0.00 179.01 176.34 1kfd h TYR 630 N 1.29 -1.01 -0.72 0.92 5.03 -0.36 -2.03 116.97 120.09 1kfd h TYR 630 Ca 0.36 -0.02 0.14 0.00 2.58 0.00 0.00 58.73 61.79 1kfd h TYR 630 Cb -0.12 0.34 -0.10 0.00 1.55 0.00 0.00 36.73 38.40 1kfd h TYR 630 CO -0.00 -0.61 0.23 0.00 -1.32 0.00 0.00 178.16 176.46 1kfd h ARG 631 N -1.05 0.35 -0.08 1.82 3.08 -0.78 0.16 114.38 117.88 1kfd h ARG 631 Ca -0.10 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1kfd h ARG 631 Cb 0.82 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 1kfd h ARG 631 CO 0.15 0.23 0.04 0.78 -1.07 0.00 0.00 179.97 180.10 1kfd h GLY 632 N 0.36 0.12 1.79 0.04 0.00 -1.11 -2.26 103.07 102.00 1kfd h GLY 632 Ca 0.39 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.53 1kfd h GLY 632 CO -0.43 0.06 -0.54 1.41 0.00 0.00 0.00 176.54 177.04 1kfd h LEU 633 N 0.00 0.25 -0.39 3.11 3.38 -0.62 -2.49 115.31 118.55 1kfd h LEU 633 Ca 0.03 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1kfd h LEU 633 Cb 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1kfd h LEU 633 CO -0.00 0.74 0.25 0.00 0.09 0.00 0.00 178.44 179.52 1kfd h ALA 634 N 1.27 0.49 0.13 1.53 0.00 -0.85 -0.72 119.26 121.11 1kfd h ALA 634 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1kfd h ALA 634 Cb 1.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1kfd h ALA 634 CO 0.08 -0.07 -0.06 -0.22 0.00 0.00 0.00 179.25 178.98 1kfd h LYS 635 N 0.51 -0.17 -0.99 0.00 3.64 -1.37 -3.17 116.57 115.01 1kfd h LYS 635 Ca 0.15 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.70 1kfd h LYS 635 Cb -0.04 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.73 1kfd h LYS 635 CO -0.04 0.22 0.62 1.25 -2.27 0.00 0.00 179.45 179.23 1kfd h LEU 636 N -0.62 0.81 -0.27 5.20 5.85 -1.24 0.10 115.31 125.14 1kfd h LEU 636 Ca -0.02 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1kfd h LEU 636 Cb 0.48 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1kfd h LEU 636 CO 0.03 0.36 0.17 0.50 -0.34 0.00 0.00 178.44 179.16 1kfd h LYS 637 N 0.83 0.37 0.02 1.25 3.64 -1.16 -0.39 116.57 121.13 1kfd h LYS 637 Ca 0.53 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.82 1kfd h LYS 637 Cb 0.74 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1kfd h LYS 637 CO -0.31 0.28 -0.24 0.66 -2.27 0.00 0.00 179.45 177.56 1kfd h SER 638 N 0.35 0.17 0.45 4.20 4.64 -1.22 0.38 113.55 122.52 1kfd h SER 638 Ca 0.10 -0.88 -0.02 0.00 -0.47 0.00 0.00 61.79 60.53 1kfd h SER 638 Cb 0.00 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1kfd h SER 638 CO -0.02 1.03 -0.07 0.00 -0.87 0.00 0.00 176.83 176.90 1kfd h THR 639 N -0.66 0.34 0.00 2.95 1.03 -0.88 -3.34 112.91 112.34 1kfd h THR 639 Ca -0.04 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 1kfd h THR 639 Cb 1.09 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 69.49 1kfd h THR 639 CO 0.05 0.07 -0.43 -1.22 -0.01 0.00 0.00 175.52 173.98 1kfd n TYR 640 N -3.41 -0.15 0.13 0.00 4.01 -0.17 -4.73 117.16 112.84 1kfd n TYR 640 Ca -0.01 0.03 0.01 0.00 -0.16 0.00 0.00 57.90 57.76 1kfd n TYR 640 Cb 0.22 0.27 0.31 0.00 -0.31 0.00 0.00 39.34 39.83 1kfd n TYR 640 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1kfd h THR 641 N 0.00 1.27 0.00 -0.72 2.02 -1.06 -1.55 112.91 112.87 1kfd h THR 641 Ca 0.00 -1.27 -0.27 0.00 0.77 0.00 0.00 66.41 65.65 1kfd h THR 641 Cb 0.43 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 1kfd h THR 641 CO 0.00 0.37 -1.50 0.44 0.37 0.00 0.00 175.52 175.21 1kfd h ASP 642 N 0.14 0.00 0.05 4.18 5.19 -1.15 -3.41 116.42 121.42 1kfd h ASP 642 Ca 0.02 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.15 1kfd h ASP 642 Cb 0.66 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 1kfd h ASP 642 CO 0.05 0.99 -1.47 0.11 -3.12 0.00 0.00 179.24 175.80 1kfd h LYS 643 N 0.00 0.12 -0.66 3.56 1.79 -1.65 -3.40 116.57 116.33 1kfd h LYS 643 Ca -0.20 -0.20 0.14 0.00 -2.18 0.00 0.00 60.65 58.21 1kfd h LYS 643 Cb 1.94 0.07 -0.12 0.00 -1.58 0.00 0.00 32.23 32.54 1kfd h LYS 643 CO 0.09 1.09 -0.05 1.25 -1.08 0.00 0.00 179.45 180.76 1kfd h LEU 644 N -0.58 -0.40 -0.51 2.94 5.85 -1.51 0.12 115.31 121.22 1kfd h LEU 644 Ca -0.36 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1kfd h LEU 644 Cb 1.58 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.94 1kfd h LEU 644 CO -0.08 -0.16 0.00 -0.81 -0.34 0.00 0.00 178.44 177.05 1kfd n PRO 645 N -5.35 0.13 -0.11 5.25 -0.04 -1.26 -1.51 135.00 132.12 1kfd n PRO 645 Ca 0.10 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 64.04 1kfd n PRO 645 Cb 0.38 -1.76 0.33 0.00 -0.04 0.00 0.00 33.50 32.40 1kfd n PRO 645 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1kfd n LEU 646 N -2.02 2.05 -1.05 1.53 7.99 0.42 -4.10 117.00 121.82 1kfd n LEU 646 Ca 0.02 -0.87 0.08 0.00 -0.01 0.00 0.00 56.01 55.23 1kfd n LEU 646 Cb 0.20 -0.14 0.27 0.00 -0.11 0.00 0.00 43.42 43.65 1kfd n LEU 646 CO 0.17 0.43 0.73 0.23 -1.51 0.00 0.00 177.39 177.45 1kfd n MET 647 N 0.58 3.27 -2.79 3.23 2.81 -0.57 -4.99 117.12 118.66 1kfd n MET 647 Ca 0.17 -2.79 -0.41 0.00 -1.81 0.00 0.00 57.70 52.85 1kfd n MET 647 Cb 0.39 -1.83 -0.04 0.00 -0.71 0.00 0.00 33.22 31.03 1kfd n MET 647 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1kfd s ILE 648 N -2.50 4.80 0.05 2.02 1.01 -1.26 -4.40 121.20 120.92 1kfd s ILE 648 Ca 0.42 1.94 -0.30 0.00 0.00 0.00 0.00 60.65 62.71 1kfd s ILE 648 Cb 0.32 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1kfd s ILE 648 CO 0.12 0.23 1.09 0.21 0.00 0.00 0.00 174.94 176.59 1kfd s ASN 649 N 0.65 7.23 0.48 3.58 3.84 0.59 -4.90 114.94 126.41 1kfd s ASN 649 Ca 0.48 1.87 0.27 0.00 0.21 0.00 0.00 52.86 55.69 1kfd s ASN 649 Cb -0.21 -2.58 1.15 0.00 -0.55 0.00 0.00 41.25 39.07 1kfd s ASN 649 CO 0.27 -0.34 1.92 -0.65 -2.79 0.00 0.00 177.10 175.51 1kfd h PRO 650 N 6.56 0.00 0.08 0.43 0.11 -1.96 0.30 132.00 137.52 1kfd h PRO 650 Ca -0.42 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.44 1kfd h PRO 650 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1kfd h PRO 650 CO 0.77 0.16 -1.17 -0.22 -0.21 0.00 0.00 178.00 177.33 1kfd h LYS 651 N 0.00 0.17 0.00 1.05 3.64 -1.96 -3.38 116.57 116.10 1kfd h LYS 651 Ca -0.00 -0.29 -0.08 0.00 -1.27 0.00 0.00 60.65 59.01 1kfd h LYS 651 Cb 0.60 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1kfd h LYS 651 CO 0.02 1.13 -1.61 0.25 -2.27 0.00 0.00 179.45 176.97 1kfd n THR 652 N -3.46 0.30 -1.46 1.00 -2.24 -1.19 -5.00 114.28 102.23 1kfd n THR 652 Ca -0.06 -0.34 -0.04 0.00 -2.27 0.00 0.00 64.05 61.34 1kfd n THR 652 Cb 0.99 -0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 69.06 1kfd n THR 652 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfd n GLY 653 N 2.04 0.53 3.35 3.38 0.00 0.10 -5.01 105.19 109.58 1kfd n GLY 653 Ca -0.08 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 1kfd n GLY 653 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kfd s ARG 654 N -3.01 1.44 -0.25 1.61 0.52 -1.24 -4.71 118.95 113.31 1kfd s ARG 654 Ca 0.00 -1.77 -0.10 0.00 -0.52 0.00 0.00 55.73 53.34 1kfd s ARG 654 Cb 0.00 -0.48 -0.05 0.00 0.52 0.00 0.00 34.95 34.95 1kfd s ARG 654 CO 0.00 -0.22 0.15 0.08 0.02 0.00 0.00 175.30 175.32 1kfd s VAL 655 N -3.57 5.09 -0.32 3.52 1.01 0.03 -0.30 120.40 125.86 1kfd s VAL 655 Ca 0.35 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.33 1kfd s VAL 655 Cb 0.08 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1kfd s VAL 655 CO 0.13 0.31 0.14 -1.00 0.00 0.00 0.00 175.10 174.68 1kfd s HIS 656 N 1.42 3.18 0.32 5.22 0.09 -1.26 0.28 115.29 124.55 1kfd s HIS 656 Ca 0.07 -0.73 -0.03 0.00 -0.00 0.00 0.00 55.06 54.37 1kfd s HIS 656 Cb -0.15 -2.34 -0.04 0.00 -0.00 0.00 0.00 32.58 30.05 1kfd s HIS 656 CO 0.07 -0.51 0.56 -0.08 -0.00 0.00 0.00 174.74 174.78 1kfd s THR 657 N 1.57 5.05 -0.45 1.30 -1.32 -1.26 -4.85 115.64 115.68 1kfd s THR 657 Ca 0.04 -0.14 -0.16 0.00 -1.21 0.00 0.00 61.69 60.22 1kfd s THR 657 Cb -0.17 -3.79 0.05 0.00 -1.51 0.00 0.00 72.50 67.07 1kfd s THR 657 CO 0.05 -0.45 0.38 -0.44 -2.21 0.00 0.00 174.62 171.96 1kfd s SER 658 N -3.56 6.14 -0.17 8.08 0.01 -1.15 -4.68 113.70 118.37 1kfd s SER 658 Ca 0.43 -1.09 -0.26 0.00 1.31 0.00 0.00 55.95 56.34 1kfd s SER 658 Cb -0.10 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 63.93 1kfd s SER 658 CO 0.33 -0.59 0.86 -0.31 0.41 0.00 0.00 173.24 173.94 1kfd s TYR 659 N 1.77 3.42 -0.29 2.43 1.51 -1.26 -0.74 117.35 124.18 1kfd s TYR 659 Ca 0.06 1.28 -0.13 0.00 -1.01 0.00 0.00 57.07 57.27 1kfd s TYR 659 Cb -0.21 -3.04 -0.04 0.00 -0.11 0.00 0.00 41.96 38.56 1kfd s TYR 659 CO 0.09 -0.26 0.29 -1.01 -1.11 0.00 0.00 175.55 173.55 1kfd s HIS 660 N 2.24 3.23 -0.61 2.71 3.76 0.12 -4.97 115.29 121.78 1kfd s HIS 660 Ca 0.39 0.20 0.24 0.00 -0.15 0.00 0.00 55.06 55.73 1kfd s HIS 660 Cb -0.16 -2.51 0.23 0.00 1.11 0.00 0.00 32.58 31.25 1kfd s HIS 660 CO 0.12 -0.24 1.21 0.94 -0.85 0.00 0.00 174.74 175.92 1kfd n GLN 661 N 5.22 0.31 -2.99 1.40 7.27 -1.26 -2.40 117.38 124.92 1kfd n GLN 661 Ca -0.11 0.06 -0.18 0.00 0.07 0.00 0.00 57.00 56.84 1kfd n GLN 661 Cb 0.51 -1.66 -0.02 0.00 2.41 0.00 0.00 30.24 31.48 1kfd n GLN 661 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kfd n ALA 662 N -1.84 2.87 0.00 1.69 0.00 -1.26 -4.84 120.51 117.13 1kfd n ALA 662 Ca 0.03 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.89 1kfd n ALA 662 Cb 0.44 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1kfd n ALA 662 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1kfd n VAL 663 N 0.09 0.00 -2.32 0.00 0.31 -1.26 -4.76 118.33 110.39 1kfd n VAL 663 Ca 0.23 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.23 1kfd n VAL 663 Cb 0.66 -0.78 -0.02 0.00 -0.91 0.00 0.00 33.84 32.79 1kfd n VAL 663 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1kfd s THR 664 N -1.85 4.07 0.29 2.52 -4.23 -1.26 -4.93 115.64 110.25 1kfd s THR 664 Ca 0.00 1.07 0.14 0.00 -1.18 0.00 0.00 61.69 61.72 1kfd s THR 664 Cb 0.00 -3.52 0.06 0.00 1.34 0.00 0.00 72.50 70.39 1kfd s THR 664 CO 0.00 -0.49 1.73 0.00 -0.54 0.00 0.00 174.62 175.32 1kfd h ALA 665 N 0.93 1.14 0.00 3.99 0.00 -1.92 -3.26 119.26 120.14 1kfd h ALA 665 Ca -0.48 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1kfd h ALA 665 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1kfd h ALA 665 CO 0.59 0.57 -0.57 0.25 0.00 0.00 0.00 179.25 180.09 1kfd n THR 666 N -3.84 0.06 -0.25 0.00 -2.24 -1.26 -4.83 114.28 101.90 1kfd n THR 666 Ca -0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1kfd n THR 666 Cb 0.50 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1kfd n THR 666 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfd n GLY 667 N 1.47 0.82 3.82 3.38 0.00 -1.23 -4.24 105.19 109.21 1kfd n GLY 667 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1kfd n GLY 667 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kfd s ARG 668 N -0.75 4.24 0.13 1.61 0.52 -1.26 -4.67 118.95 118.77 1kfd s ARG 668 Ca 0.00 0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 55.88 1kfd s ARG 668 Cb 0.00 -2.54 -0.07 0.00 0.52 0.00 0.00 34.95 32.87 1kfd s ARG 668 CO 0.00 0.18 1.05 -0.51 0.02 0.00 0.00 175.30 176.05 1kfd s LEU 669 N -2.62 4.48 0.01 2.53 1.43 -1.26 -4.31 118.68 118.93 1kfd s LEU 669 Ca 0.53 1.96 0.04 0.00 -1.03 0.00 0.00 54.13 55.62 1kfd s LEU 669 Cb -0.13 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1kfd s LEU 669 CO 0.18 -0.19 -0.08 -0.94 0.23 0.00 0.00 176.35 175.55 1kfd s SER 670 N 0.10 4.51 0.03 2.29 1.04 -1.01 -4.94 113.70 115.71 1kfd s SER 670 Ca 0.50 -0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.80 1kfd s SER 670 Cb -0.27 -1.01 -0.03 0.00 0.10 0.00 0.00 66.02 64.81 1kfd s SER 670 CO 0.32 0.27 -0.15 -0.94 0.98 0.00 0.00 173.24 173.72 1kfd s SER 671 N -1.45 3.99 0.43 7.02 1.04 -1.26 0.16 113.70 123.63 1kfd s SER 671 Ca 0.17 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.26 1kfd s SER 671 Cb -0.11 -0.72 -0.01 0.00 0.10 0.00 0.00 66.02 65.28 1kfd s SER 671 CO 0.07 0.26 0.08 0.35 0.98 0.00 0.00 173.24 174.99 1kfd n THR 672 N 1.56 0.00 0.00 2.02 -2.24 0.08 -4.31 114.28 111.38 1kfd n THR 672 Ca -0.16 -2.30 0.00 0.00 -2.27 0.00 0.00 64.05 59.32 1kfd n THR 672 Cb 0.52 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1kfd n THR 672 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1kfd n ASP 673 N -1.43 0.00 -4.56 3.42 8.00 -1.26 -2.94 116.55 117.78 1kfd n ASP 673 Ca -0.12 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.07 1kfd n ASP 673 Cb 0.60 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.66 1kfd n ASP 673 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1kfd s PRO 674 N 0.00 2.88 -1.22 -0.24 0.02 -1.26 -4.80 135.00 130.38 1kfd s PRO 674 Ca 0.00 -0.59 -0.20 0.00 0.02 0.00 0.00 61.00 60.23 1kfd s PRO 674 Cb 0.00 -5.16 0.00 0.00 0.02 0.00 0.00 34.50 29.36 1kfd s PRO 674 CO 0.00 -3.03 1.80 1.21 -0.33 0.00 0.00 177.00 176.65 1kfd s ASN 675 N 7.02 6.06 0.63 2.53 3.84 -1.26 -4.76 114.94 128.99 1kfd s ASN 675 Ca 0.63 -2.01 0.30 0.00 0.21 0.00 0.00 52.86 51.99 1kfd s ASN 675 Cb -0.04 -2.58 1.64 0.00 -0.55 0.00 0.00 41.25 39.72 1kfd s ASN 675 CO -0.03 -1.98 1.98 -0.07 -2.79 0.00 0.00 177.10 174.21 1kfd h LEU 676 N 14.77 0.00 -1.03 3.21 -0.00 -1.87 -1.43 115.31 128.96 1kfd h LEU 676 Ca 0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.14 1kfd h LEU 676 Cb 0.91 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.56 1kfd h LEU 676 CO 1.36 0.00 -0.33 1.56 -0.00 0.00 0.00 178.44 181.03 1kfd h GLN 677 N 0.00 0.00 -0.01 1.13 4.20 -1.90 -3.06 115.11 115.48 1kfd h GLN 677 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1kfd h GLN 677 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1kfd h GLN 677 CO -0.00 0.33 -0.11 0.09 -0.67 0.00 0.00 178.83 178.47 1kfd n ASN 678 N -3.53 0.91 -4.74 1.46 3.02 -0.54 -4.84 115.26 107.00 1kfd n ASN 678 Ca -0.00 -0.99 -0.41 0.00 -0.03 0.00 0.00 54.58 53.15 1kfd n ASN 678 Cb 0.47 0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.62 1kfd n ASN 678 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1kfd s ILE 679 N -2.30 3.74 -0.38 2.41 -5.25 -1.16 -4.89 121.20 113.37 1kfd s ILE 679 Ca 0.32 1.57 -0.28 0.00 -0.99 0.00 0.00 60.65 61.27 1kfd s ILE 679 Cb 0.20 -4.00 -0.07 0.00 2.95 0.00 0.00 42.46 41.54 1kfd s ILE 679 CO 0.44 0.30 2.32 -2.65 -1.79 0.00 0.00 174.94 173.56 1kfd n PRO 680 N 2.01 1.39 0.12 0.37 -0.02 -1.26 -4.90 135.00 132.71 1kfd n PRO 680 Ca 0.02 0.26 -0.13 0.00 -2.02 0.00 0.00 63.50 61.62 1kfd n PRO 680 Cb 0.46 -3.17 -0.06 0.00 -0.02 0.00 0.00 33.50 30.70 1kfd n PRO 680 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1kfd h VAL 681 N 7.42 0.69 -3.62 -1.45 3.04 -1.92 -3.37 116.25 117.05 1kfd h VAL 681 Ca -0.31 0.00 -0.67 0.00 -1.01 0.00 0.00 66.70 64.71 1kfd h VAL 681 Cb 1.26 0.69 -0.39 0.00 -2.01 0.00 0.00 31.29 30.85 1kfd h VAL 681 CO 1.07 0.00 -0.67 -0.13 -1.01 0.00 0.00 177.57 176.83 1kfd s ARG 682 N -6.14 1.66 -0.26 4.17 1.81 -1.26 -4.74 118.95 114.19 1kfd s ARG 682 Ca -0.15 -1.93 -0.26 0.00 -1.72 0.00 0.00 55.73 51.67 1kfd s ARG 682 Cb 0.06 -3.32 0.14 0.00 -0.45 0.00 0.00 34.95 31.39 1kfd s ARG 682 CO 0.65 -0.99 1.13 1.21 -0.68 0.00 0.00 175.30 176.63 1kfd s ASN 683 N 1.04 -0.32 0.14 0.23 3.84 -1.26 -5.00 114.94 113.61 1kfd s ASN 683 Ca 0.11 0.55 -0.11 0.00 0.21 0.00 0.00 52.86 53.61 1kfd s ASN 683 Cb -0.20 0.53 -0.06 0.00 -0.55 0.00 0.00 41.25 40.97 1kfd s ASN 683 CO -0.07 -0.16 1.46 -0.08 -2.79 0.00 0.00 177.10 175.46 1kfd h GLU 684 N 3.46 0.93 0.00 0.43 4.22 -1.94 -2.20 114.58 119.48 1kfd h GLU 684 Ca -0.24 -0.52 0.00 0.00 0.08 0.00 0.00 59.36 58.68 1kfd h GLU 684 Cb 1.18 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1kfd h GLU 684 CO 0.18 1.17 0.00 0.93 -2.18 0.00 0.00 179.01 179.11 1kfd h GLU 685 N 0.74 0.00 -0.13 1.92 3.07 -1.97 -2.01 114.58 116.21 1kfd h GLU 685 Ca 0.05 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.80 1kfd h GLU 685 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1kfd h GLU 685 CO 0.10 0.00 -0.36 0.78 -1.40 0.00 0.00 179.01 178.13 1kfd h GLY 686 N 2.11 0.52 0.51 -3.84 0.00 -1.66 -2.73 103.07 97.97 1kfd h GLY 686 Ca 0.00 -0.66 0.10 0.00 0.00 0.00 0.00 47.33 46.77 1kfd h GLY 686 CO 0.00 0.59 0.50 3.21 0.00 0.00 0.00 176.54 180.83 1kfd h ARG 687 N 0.07 0.80 -0.75 4.80 3.08 -0.77 -0.87 114.38 120.73 1kfd h ARG 687 Ca -0.01 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1kfd h ARG 687 Cb 0.98 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.79 1kfd h ARG 687 CO 0.08 0.53 0.44 -0.09 -1.07 0.00 0.00 179.97 179.85 1kfd h ARG 688 N 0.82 0.77 -0.36 0.04 9.65 -1.25 -1.13 114.38 122.92 1kfd h ARG 688 Ca 0.41 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 59.18 1kfd h ARG 688 Cb 0.39 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 1kfd h ARG 688 CO -0.25 0.51 -0.06 0.82 2.80 0.00 0.00 179.97 183.79 1kfd h ILE 689 N 0.79 1.27 0.00 1.20 2.04 -0.95 -2.73 117.51 119.14 1kfd h ILE 689 Ca 0.34 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1kfd h ILE 689 Cb 0.20 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1kfd h ILE 689 CO -0.19 0.36 0.00 0.03 0.00 0.00 0.00 178.15 178.36 1kfd h ARG 690 N 0.48 0.00 0.00 2.37 3.08 -0.01 -1.08 114.38 119.23 1kfd h ARG 690 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1kfd h ARG 690 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1kfd h ARG 690 CO 0.03 0.00 -0.01 1.96 -1.07 0.00 0.00 179.97 180.88 1kfd h GLN 691 N 0.00 0.00 0.00 0.04 4.20 -1.01 -2.28 115.11 116.07 1kfd h GLN 691 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1kfd h GLN 691 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1kfd h GLN 691 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1kfd n ALA 692 N -1.92 2.30 -2.77 3.87 0.00 -0.41 -4.53 120.51 117.05 1kfd n ALA 692 Ca 0.05 -0.11 -0.44 0.00 0.00 0.00 0.00 53.44 52.94 1kfd n ALA 692 Cb 0.47 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 1kfd n ALA 692 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1kfd s PHE 693 N -2.83 3.12 -0.06 0.00 0.40 -1.23 -0.81 117.98 116.58 1kfd s PHE 693 Ca 0.18 -0.65 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1kfd s PHE 693 Cb 0.18 -3.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.32 1kfd s PHE 693 CO 0.47 -0.92 0.04 0.42 0.70 0.00 0.00 175.22 175.93 1kfd s ILE 694 N 2.26 4.59 0.08 0.64 -1.09 -0.18 -0.98 121.20 126.53 1kfd s ILE 694 Ca 0.11 -0.27 -0.22 0.00 -2.23 0.00 0.00 60.65 58.04 1kfd s ILE 694 Cb -0.21 -3.00 -0.07 0.00 -1.58 0.00 0.00 42.46 37.61 1kfd s ILE 694 CO 0.10 0.51 0.67 0.00 -1.23 0.00 0.00 174.94 174.99 1kfd s ALA 695 N -1.02 3.50 1.27 9.38 0.00 -1.05 -4.36 121.76 129.48 1kfd s ALA 695 Ca 0.17 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 1kfd s ALA 695 Cb -0.12 -2.81 0.32 0.00 0.00 0.00 0.00 23.12 20.52 1kfd s ALA 695 CO 0.07 0.28 0.99 -1.25 0.00 0.00 0.00 175.76 175.84 1kfd s PRO 696 N -0.81 -1.73 0.22 0.00 0.04 -1.26 -4.82 135.00 126.63 1kfd s PRO 696 Ca 0.33 0.57 -0.31 0.00 0.04 0.00 0.00 61.00 61.62 1kfd s PRO 696 Cb -0.21 -1.48 -0.11 0.00 0.04 0.00 0.00 34.50 32.74 1kfd s PRO 696 CO 0.22 -4.19 1.67 -2.00 0.04 0.00 0.00 177.00 172.73 1kfd s GLU 697 N -4.66 4.14 -0.00 4.56 2.56 -1.26 -1.30 118.70 122.74 1kfd s GLU 697 Ca 0.69 2.55 0.00 0.00 0.00 0.00 0.00 54.97 58.21 1kfd s GLU 697 Cb -0.21 -3.08 0.00 0.00 2.00 0.00 0.00 34.13 32.84 1kfd s GLU 697 CO 0.63 -0.70 0.00 -0.25 -0.56 0.00 0.00 175.26 174.38 1kfd n ASP 698 N 3.60 -4.00 -4.55 -1.70 8.00 -1.26 -5.00 116.55 111.65 1kfd n ASP 698 Ca 0.14 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.38 1kfd n ASP 698 Cb 0.36 -1.50 -0.10 0.00 -0.02 0.00 0.00 41.12 39.86 1kfd n ASP 698 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1kfd s TYR 699 N -1.67 2.41 0.09 1.24 1.51 -0.42 -0.17 117.35 120.34 1kfd s TYR 699 Ca 0.00 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1kfd s TYR 699 Cb 0.00 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 1kfd s TYR 699 CO 0.00 0.58 -0.08 0.14 -1.11 0.00 0.00 175.55 175.08 1kfd s VAL 700 N -2.61 0.77 -0.05 0.71 -7.23 0.62 -4.56 120.40 108.05 1kfd s VAL 700 Ca 0.33 -1.68 -0.27 0.00 -1.81 0.00 0.00 61.98 58.54 1kfd s VAL 700 Cb 0.02 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 1kfd s VAL 700 CO 0.17 -0.67 0.88 -0.63 -0.31 0.00 0.00 175.10 174.54 1kfd s ILE 701 N -2.80 4.91 -0.08 -0.62 -1.09 0.76 -1.20 121.20 121.09 1kfd s ILE 701 Ca 0.06 1.83 0.02 0.00 -2.23 0.00 0.00 60.65 60.33 1kfd s ILE 701 Cb -0.00 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.64 1kfd s ILE 701 CO -0.02 0.15 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.01 1kfd s VAL 702 N 1.20 3.05 -0.15 2.92 1.01 0.05 -0.58 120.40 127.91 1kfd s VAL 702 Ca 0.46 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1kfd s VAL 702 Cb -0.19 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 33.99 1kfd s VAL 702 CO 0.22 0.57 -0.14 -0.55 0.00 0.00 0.00 175.10 175.19 1kfd s SER 703 N -0.37 2.74 -0.31 3.32 0.15 0.25 -1.18 113.70 118.30 1kfd s SER 703 Ca 0.04 -0.51 -0.04 0.00 0.70 0.00 0.00 55.95 56.14 1kfd s SER 703 Cb -0.12 -1.20 0.04 0.00 -1.71 0.00 0.00 66.02 63.03 1kfd s SER 703 CO 0.02 -0.05 0.04 0.00 1.20 0.00 0.00 173.24 174.45 1kfd s ALA 704 N 1.47 2.91 0.03 5.45 0.00 -0.48 0.16 121.76 131.29 1kfd s ALA 704 Ca 0.05 -1.72 0.07 0.00 0.00 0.00 0.00 51.96 50.35 1kfd s ALA 704 Cb -0.13 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 1kfd s ALA 704 CO -0.11 -1.26 -0.18 0.34 0.00 0.00 0.00 175.76 174.56 1kfd s ASP 705 N 1.33 3.82 -0.27 0.00 2.15 -0.61 -0.88 116.67 122.20 1kfd s ASP 705 Ca -0.03 -0.39 -0.20 0.00 0.43 0.00 0.00 52.55 52.36 1kfd s ASP 705 Cb -0.19 -0.64 -0.02 0.00 -0.30 0.00 0.00 42.92 41.77 1kfd s ASP 705 CO 0.00 0.27 0.62 -0.31 -0.17 0.00 0.00 175.17 175.58 1kfd s TYR 706 N -0.89 3.25 0.00 -5.34 2.02 -0.42 -0.70 117.35 115.28 1kfd s TYR 706 Ca 0.14 0.71 0.00 0.00 -0.37 0.00 0.00 57.07 57.55 1kfd s TYR 706 Cb -0.10 -2.89 0.00 0.00 -0.40 0.00 0.00 41.96 38.57 1kfd s TYR 706 CO 0.05 -0.38 0.00 0.43 -1.57 0.00 0.00 175.55 174.08 1kfd n SER 707 N 5.76 0.00 -3.81 2.29 7.64 -0.44 -4.29 113.62 120.78 1kfd n SER 707 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.45 1kfd n SER 707 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1kfd n SER 707 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kfd n GLN 708 N 0.00 3.99 -0.25 1.43 0.00 -1.26 -4.76 117.38 116.53 1kfd n GLN 708 Ca 0.00 -3.71 0.05 0.00 0.00 0.00 0.00 57.00 53.34 1kfd n GLN 708 Cb 0.00 -2.79 0.18 0.00 0.00 0.00 0.00 30.24 27.63 1kfd n GLN 708 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1kfd h ILE 709 N 3.44 0.53 0.00 -0.39 2.10 -1.94 0.10 117.51 121.36 1kfd h ILE 709 Ca 0.42 -0.10 -0.07 0.00 1.08 0.00 0.00 64.86 66.20 1kfd h ILE 709 Cb 0.56 0.22 -0.01 0.00 -1.09 0.00 0.00 36.82 36.50 1kfd h ILE 709 CO 1.54 0.05 -0.32 -0.33 -1.08 0.00 0.00 178.15 178.02 1kfd h GLU 710 N 0.29 0.00 0.00 2.19 5.08 -1.89 -0.97 114.58 119.29 1kfd h GLU 710 Ca 0.41 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.58 1kfd h GLU 710 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1kfd h GLU 710 CO -0.49 0.32 -0.85 -0.07 -1.00 0.00 0.00 179.01 176.92 1kfd h LEU 711 N 0.00 0.17 -0.29 1.33 4.07 -1.24 -1.08 115.31 118.28 1kfd h LEU 711 Ca -0.00 -0.14 -0.20 0.00 0.08 0.00 0.00 57.88 57.62 1kfd h LEU 711 Cb 1.01 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.70 1kfd h LEU 711 CO 0.04 0.94 -0.70 0.03 -1.08 0.00 0.00 178.44 177.67 1kfd h ARG 712 N 0.07 0.69 -0.35 1.13 3.08 -0.79 -1.64 114.38 116.57 1kfd h ARG 712 Ca -0.03 -0.52 -0.03 0.00 0.07 0.00 0.00 59.98 59.47 1kfd h ARG 712 Cb 1.47 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.60 1kfd h ARG 712 CO 0.12 1.14 0.10 0.82 -1.07 0.00 0.00 179.97 181.09 1kfd h ILE 713 N 0.49 1.21 -0.10 2.04 2.04 -1.20 -2.50 117.51 119.49 1kfd h ILE 713 Ca -0.03 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 1kfd h ILE 713 Cb 1.30 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1kfd h ILE 713 CO 0.14 0.24 -0.20 -0.03 0.00 0.00 0.00 178.15 178.30 1kfd h MET 714 N 0.42 0.16 -0.71 2.37 4.05 -1.15 0.92 114.93 120.99 1kfd h MET 714 Ca 0.11 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1kfd h MET 714 Cb 0.26 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1kfd h MET 714 CO -0.00 0.36 0.31 0.00 0.23 0.00 0.00 176.91 177.81 1kfd h ALA 715 N 1.65 0.92 0.05 0.39 0.00 -0.91 0.48 119.26 121.84 1kfd h ALA 715 Ca 0.03 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.49 1kfd h ALA 715 Cb 0.44 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.98 1kfd h ALA 715 CO 0.03 0.51 -1.13 1.25 0.00 0.00 0.00 179.25 179.91 1kfd h HIS 716 N 1.00 1.02 -0.64 0.00 6.17 -0.99 -2.39 115.15 119.32 1kfd h HIS 716 Ca 0.24 -0.59 -0.06 0.00 0.71 0.00 0.00 60.37 60.67 1kfd h HIS 716 Cb 0.17 -0.10 -0.03 0.00 2.52 0.00 0.00 27.41 29.97 1kfd h HIS 716 CO 0.01 1.43 0.15 -0.07 0.71 0.00 0.00 177.93 180.16 1kfd h LEU 717 N 0.34 0.94 -0.18 0.26 3.38 -0.75 -2.05 115.31 117.25 1kfd h LEU 717 Ca -0.15 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1kfd h LEU 717 Cb 1.79 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1kfd h LEU 717 CO 0.22 0.92 0.00 0.77 0.09 0.00 0.00 178.44 180.43 1kfd h SER 718 N 0.96 0.00 -1.76 -0.43 4.64 -0.95 -3.45 113.55 112.55 1kfd h SER 718 Ca 0.20 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.13 1kfd h SER 718 Cb 0.35 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.33 1kfd h SER 718 CO 0.00 0.00 -0.41 0.54 -0.87 0.00 0.00 176.83 176.09 1kfd n ARG 719 N -2.39 -1.54 -2.84 4.77 1.74 -0.77 -4.35 116.66 111.27 1kfd n ARG 719 Ca 0.05 1.09 -0.42 0.00 -0.77 0.00 0.00 57.85 57.79 1kfd n ARG 719 Cb 0.40 -5.55 -0.04 0.00 -1.02 0.00 0.00 32.46 26.26 1kfd n ARG 719 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1kfd s ASP 720 N -2.45 6.74 0.46 0.55 -1.08 -1.14 -4.93 116.67 114.82 1kfd s ASP 720 Ca 0.00 0.75 0.13 0.00 -0.52 0.00 0.00 52.55 52.91 1kfd s ASP 720 Cb 0.00 -2.45 1.07 0.00 -1.46 0.00 0.00 42.92 40.07 1kfd s ASP 720 CO 0.00 -0.73 2.05 0.50 0.52 0.00 0.00 175.17 177.51 1kfd h LYS 721 N 8.17 0.31 0.12 4.34 3.11 -1.91 -1.09 116.57 129.62 1kfd h LYS 721 Ca -0.23 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.59 1kfd h LYS 721 Cb 1.08 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.24 1kfd h LYS 721 CO 0.94 0.20 -0.06 0.78 -2.81 0.00 0.00 179.45 178.51 1kfd h GLY 722 N 0.32 -0.17 0.90 5.01 0.00 -1.92 -0.48 103.07 106.74 1kfd h GLY 722 Ca 0.17 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 1kfd h GLY 722 CO -0.04 -0.06 0.02 1.41 0.00 0.00 0.00 176.54 177.87 1kfd h LEU 723 N -0.29 0.56 -1.37 3.11 3.38 -1.80 -2.26 115.31 116.64 1kfd h LEU 723 Ca -0.02 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.72 1kfd h LEU 723 Cb 0.23 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1kfd h LEU 723 CO 0.03 0.71 0.47 -0.07 0.09 0.00 0.00 178.44 179.67 1kfd h LEU 724 N 0.39 0.68 -0.13 1.67 4.07 -1.15 -2.53 115.31 118.31 1kfd h LEU 724 Ca 0.10 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.92 1kfd h LEU 724 Cb 0.41 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1kfd h LEU 724 CO 0.01 0.45 -0.45 0.74 -1.08 0.00 0.00 178.44 178.11 1kfd h THR 725 N 0.78 1.36 -0.24 0.22 2.02 -0.81 -1.85 112.91 114.38 1kfd h THR 725 Ca 0.30 -1.75 0.06 0.00 0.77 0.00 0.00 66.41 65.79 1kfd h THR 725 Cb 0.20 2.10 -0.07 0.00 -1.74 0.00 0.00 68.15 68.65 1kfd h THR 725 CO -0.10 0.53 -0.23 0.00 0.37 0.00 0.00 175.52 176.09 1kfd h ALA 726 N 0.51 -0.12 -0.48 6.16 0.00 -1.01 0.13 119.26 124.45 1kfd h ALA 726 Ca -0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1kfd h ALA 726 Cb 1.08 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1kfd h ALA 726 CO 0.10 -0.66 0.23 0.74 0.00 0.00 0.00 179.25 179.66 1kfd h PHE 727 N -0.24 0.70 -0.45 0.00 0.04 -1.52 -1.03 116.94 114.44 1kfd h PHE 727 Ca 0.14 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1kfd h PHE 727 Cb 0.45 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 1kfd h PHE 727 CO -0.39 0.56 0.14 0.00 -0.60 0.00 0.00 178.31 178.02 1kfd h ALA 728 N 1.07 1.41 -0.72 2.45 0.00 -0.37 -2.65 119.26 120.45 1kfd h ALA 728 Ca 0.17 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 1kfd h ALA 728 Cb 0.12 -0.19 -0.14 0.00 0.00 0.00 0.00 17.79 17.59 1kfd h ALA 728 CO -0.02 0.44 0.30 -0.85 0.00 0.00 0.00 179.25 179.11 1kfd n GLU 729 N -4.33 3.39 -2.63 0.00 0.28 0.33 -4.93 120.64 112.75 1kfd n GLU 729 Ca 0.03 -2.82 -0.17 0.00 -0.16 0.00 0.00 57.16 54.04 1kfd n GLU 729 Cb 0.18 -2.14 0.01 0.00 1.43 0.00 0.00 31.44 30.92 1kfd n GLU 729 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1kfd n GLY 730 N -0.20 -0.30 3.93 -1.84 0.00 -1.00 -5.01 105.19 100.77 1kfd n GLY 730 Ca 0.40 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 1kfd n GLY 730 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfd s LYS 731 N -5.19 3.53 -0.34 1.61 1.02 -0.40 -5.00 119.74 114.97 1kfd s LYS 731 Ca 0.14 -0.27 -0.29 0.00 0.02 0.00 0.00 55.97 55.57 1kfd s LYS 731 Cb -0.06 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1kfd s LYS 731 CO 0.17 0.26 1.41 0.34 -0.92 0.00 0.00 175.35 176.61 1kfd s ASP 732 N -3.54 6.45 0.38 2.83 2.15 -1.26 -4.61 116.67 119.06 1kfd s ASP 732 Ca 0.40 1.09 0.11 0.00 0.43 0.00 0.00 52.55 54.58 1kfd s ASP 732 Cb -0.10 -2.54 0.88 0.00 -0.30 0.00 0.00 42.92 40.86 1kfd s ASP 732 CO 0.32 -1.29 1.90 0.16 -0.17 0.00 0.00 175.17 176.09 1kfd h ILE 733 N 6.25 0.85 -0.04 4.11 3.07 -1.94 -1.65 117.51 128.15 1kfd h ILE 733 Ca -0.28 -0.21 -0.10 0.00 1.55 0.00 0.00 64.86 65.82 1kfd h ILE 733 Cb 1.11 0.18 -0.01 0.00 -0.27 0.00 0.00 36.82 37.83 1kfd h ILE 733 CO 1.05 0.11 -0.43 0.45 -1.05 0.00 0.00 178.15 178.28 1kfd h HIS 734 N 0.61 0.11 -0.04 0.16 3.86 -1.90 0.85 115.15 118.80 1kfd h HIS 734 Ca 0.40 -0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.46 1kfd h HIS 734 Cb 0.70 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.15 1kfd h HIS 734 CO -0.00 0.52 -0.46 0.00 0.86 0.00 0.00 177.93 178.84 1kfd h ARG 735 N 0.08 0.39 -0.93 2.45 3.08 -1.71 -1.30 114.38 116.45 1kfd h ARG 735 Ca 0.00 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 1kfd h ARG 735 Cb 0.80 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 1kfd h ARG 735 CO 0.06 1.02 0.54 0.00 -1.07 0.00 0.00 179.97 180.52 1kfd h ALA 736 N 0.38 1.20 -0.15 0.04 0.00 -0.92 0.48 119.26 120.29 1kfd h ALA 736 Ca -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1kfd h ALA 736 Cb 1.15 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1kfd h ALA 736 CO 0.09 0.67 0.06 1.15 0.00 0.00 0.00 179.25 181.22 1kfd h THR 737 N 1.29 1.14 -0.28 0.00 2.02 -0.87 -0.17 112.91 116.04 1kfd h THR 737 Ca 0.33 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 1kfd h THR 737 Cb -0.02 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1kfd h THR 737 CO -0.06 0.13 -0.19 0.00 0.37 0.00 0.00 175.52 175.78 1kfd h ALA 738 N 0.92 1.15 -0.45 6.16 0.00 -0.46 0.24 119.26 126.81 1kfd h ALA 738 Ca 0.05 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1kfd h ALA 738 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1kfd h ALA 738 CO -0.00 0.53 -0.25 0.00 0.00 0.00 0.00 179.25 179.53 1kfd h ALA 739 N 1.34 0.70 0.05 0.00 0.00 0.29 -1.38 119.26 120.26 1kfd h ALA 739 Ca 0.08 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1kfd h ALA 739 Cb 0.59 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.24 1kfd h ALA 739 CO 0.04 0.67 -0.67 0.93 0.00 0.00 0.00 179.25 180.22 1kfd h GLU 740 N 0.82 0.36 -0.18 0.00 3.07 -0.84 0.10 114.58 117.91 1kfd h GLU 740 Ca 0.10 -0.46 -0.01 0.00 -0.50 0.00 0.00 59.36 58.49 1kfd h GLU 740 Cb 0.83 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 1kfd h GLU 740 CO 0.07 1.15 0.06 0.28 -1.40 0.00 0.00 179.01 179.18 1kfd h VAL 741 N -0.22 1.17 -0.00 3.13 2.07 -0.96 -2.99 116.25 118.46 1kfd h VAL 741 Ca -0.10 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1kfd h VAL 741 Cb 1.43 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1kfd h VAL 741 CO 0.13 0.17 -0.21 0.49 0.02 0.00 0.00 177.57 178.16 1kfd n PHE 742 N -4.83 0.00 -3.08 1.57 3.72 -0.52 -4.91 117.46 109.41 1kfd n PHE 742 Ca -0.04 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.22 1kfd n PHE 742 Cb 0.13 -0.34 0.06 0.00 -0.94 0.00 0.00 39.48 38.40 1kfd n PHE 742 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kfd n GLY 743 N 1.46 -0.81 3.04 1.37 0.00 0.25 -5.03 105.19 105.47 1kfd n GLY 743 Ca 0.08 0.41 -0.10 0.00 0.00 0.00 0.00 46.02 46.40 1kfd n GLY 743 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kfd s LEU 744 N -5.23 2.30 0.60 0.99 1.43 -0.53 -5.04 118.68 113.20 1kfd s LEU 744 Ca 0.34 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 52.61 1kfd s LEU 744 Cb -0.04 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.15 1kfd s LEU 744 CO 0.65 -0.32 1.18 -0.81 0.23 0.00 0.00 176.35 177.28 1kfd n PRO 745 N 1.20 1.18 0.28 1.29 -0.04 -1.26 -4.61 135.00 133.04 1kfd n PRO 745 Ca -0.21 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1kfd n PRO 745 Cb 0.56 -2.40 0.80 0.00 -0.04 0.00 0.00 33.50 32.43 1kfd n PRO 745 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1kfd h LEU 746 N 0.76 0.00 -0.02 1.53 5.85 -1.93 -2.58 115.31 118.92 1kfd h LEU 746 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1kfd h LEU 746 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1kfd h LEU 746 CO 0.53 0.01 -0.17 -0.62 -0.34 0.00 0.00 178.44 177.86 1kfd n GLU 747 N -4.08 0.06 -0.27 1.25 4.71 -1.26 -3.69 120.64 117.36 1kfd n GLU 747 Ca -0.03 -0.02 0.07 0.00 -0.01 0.00 0.00 57.16 57.18 1kfd n GLU 747 Cb 0.10 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.22 1kfd n GLU 747 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1kfd n THR 748 N -1.46 1.78 -2.54 2.62 -2.24 -0.97 -4.97 114.28 106.50 1kfd n THR 748 Ca 0.07 -1.65 -0.43 0.00 -2.27 0.00 0.00 64.05 59.77 1kfd n THR 748 Cb 0.33 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 1kfd n THR 748 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1kfd s VAL 749 N -2.22 4.36 0.70 2.28 0.11 -1.24 -4.98 120.40 119.41 1kfd s VAL 749 Ca 0.32 1.56 -0.12 0.00 -2.93 0.00 0.00 61.98 60.81 1kfd s VAL 749 Cb 0.24 -4.29 0.02 0.00 -1.53 0.00 0.00 36.38 30.82 1kfd s VAL 749 CO 0.09 -0.45 1.07 0.42 -3.33 0.00 0.00 175.10 172.90 1kfd s THR 750 N 3.89 3.72 0.49 5.04 -4.23 -1.26 -4.84 115.64 118.46 1kfd s THR 750 Ca 0.50 0.61 0.33 0.00 -1.18 0.00 0.00 61.69 61.95 1kfd s THR 750 Cb -0.15 -3.23 0.36 0.00 1.34 0.00 0.00 72.50 70.83 1kfd s THR 750 CO 0.18 -0.68 2.19 0.28 -0.54 0.00 0.00 174.62 176.05 1kfd h SER 751 N -0.63 0.00 0.61 3.99 0.02 -1.99 0.51 113.55 116.06 1kfd h SER 751 Ca -0.44 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.37 1kfd h SER 751 Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 1kfd h SER 751 CO 0.55 0.05 -0.65 -0.08 -1.14 0.00 0.00 176.83 175.55 1kfd h GLU 752 N 0.00 0.04 0.11 3.45 4.81 -1.99 -2.54 114.58 118.46 1kfd h GLU 752 Ca -0.00 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 58.96 1kfd h GLU 752 Cb 0.18 0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.59 1kfd h GLU 752 CO 0.01 0.68 -0.99 1.96 -0.73 0.00 0.00 179.01 179.94 1kfd h GLN 753 N 0.03 0.48 -0.60 1.92 4.20 -1.30 -1.65 115.11 118.19 1kfd h GLN 753 Ca -0.01 -0.66 0.05 0.00 0.06 0.00 0.00 58.65 58.09 1kfd h GLN 753 Cb 1.16 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 1kfd h GLN 753 CO 0.09 1.28 0.39 -0.09 -0.67 0.00 0.00 178.83 179.83 1kfd h ARG 754 N -0.01 0.62 0.01 1.46 2.43 -1.36 -0.58 114.38 116.97 1kfd h ARG 754 Ca -0.15 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.71 1kfd h ARG 754 Cb 1.71 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 31.14 1kfd h ARG 754 CO 0.19 0.41 -1.06 -0.09 -1.51 0.00 0.00 179.97 177.92 1kfd h ARG 755 N 0.64 0.67 -0.33 0.20 2.43 -1.45 -1.99 114.38 114.56 1kfd h ARG 755 Ca 0.25 -0.74 -0.04 0.00 -0.81 0.00 0.00 59.98 58.64 1kfd h ARG 755 Cb 0.17 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1kfd h ARG 755 CO -0.07 1.31 0.04 0.77 -1.51 0.00 0.00 179.97 180.51 1kfd h SER 756 N 0.37 0.53 -0.89 -3.80 0.02 -0.71 -2.19 113.55 106.88 1kfd h SER 756 Ca -0.13 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1kfd h SER 756 Cb 1.71 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 64.07 1kfd h SER 756 CO 0.20 0.67 0.50 0.00 -1.14 0.00 0.00 176.83 177.07 1kfd h ALA 757 N 0.88 1.20 -0.74 3.77 0.00 -1.17 -2.22 119.26 120.99 1kfd h ALA 757 Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1kfd h ALA 757 Cb 0.37 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1kfd h ALA 757 CO 0.01 0.65 0.48 -0.22 0.00 0.00 0.00 179.25 180.17 1kfd h LYS 758 N 1.24 0.98 -0.13 0.00 3.64 -1.19 -0.62 116.57 120.50 1kfd h LYS 758 Ca 0.32 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1kfd h LYS 758 Cb 0.00 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1kfd h LYS 758 CO -0.05 0.65 -0.06 0.00 -2.27 0.00 0.00 179.45 177.71 1kfd h ALA 759 N 1.27 1.66 0.14 5.00 0.00 -0.85 -0.96 119.26 125.51 1kfd h ALA 759 Ca 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1kfd h ALA 759 Cb -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1kfd h ALA 759 CO -0.06 0.26 -0.07 0.82 0.00 0.00 0.00 179.25 180.20 1kfd h ILE 760 N 0.19 0.92 -0.55 0.00 2.04 -0.68 -3.06 117.51 116.37 1kfd h ILE 760 Ca 0.04 -1.19 0.09 0.00 1.00 0.00 0.00 64.86 64.81 1kfd h ILE 760 Cb 0.24 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 1kfd h ILE 760 CO 0.01 0.24 0.14 0.78 0.00 0.00 0.00 178.15 179.32 1kfd h ASN 761 N -0.84 0.07 1.16 1.72 2.35 -0.93 -0.23 115.58 118.87 1kfd h ASN 761 Ca -0.02 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1kfd h ASN 761 Cb 0.54 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.02 1kfd h ASN 761 CO 0.03 0.06 0.00 0.49 -1.65 0.00 0.00 177.43 176.36 1kfd n PHE 762 N -5.08 0.55 0.02 1.19 3.72 -0.38 -2.69 117.46 114.79 1kfd n PHE 762 Ca 0.07 0.17 -0.18 0.00 -0.05 0.00 0.00 57.45 57.46 1kfd n PHE 762 Cb 0.27 -0.78 -0.12 0.00 -0.94 0.00 0.00 39.48 37.90 1kfd n PHE 762 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1kfd h GLY 763 N 4.24 0.42 0.72 1.37 0.00 -0.99 -3.09 103.07 105.74 1kfd h GLY 763 Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 47.33 46.55 1kfd h GLY 763 CO 0.00 0.74 0.48 1.41 0.00 0.00 0.00 176.54 179.16 1kfd h LEU 764 N -0.19 0.74 -0.89 3.11 3.38 -1.06 -0.52 115.31 119.87 1kfd h LEU 764 Ca -0.10 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1kfd h LEU 764 Cb 1.44 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 1kfd h LEU 764 CO 0.13 0.48 0.58 0.40 0.09 0.00 0.00 178.44 180.11 1kfd h ILE 765 N 0.87 1.15 -0.46 1.22 1.08 -1.55 -1.74 117.51 118.09 1kfd h ILE 765 Ca 0.34 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1kfd h ILE 765 Cb 0.17 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.85 1kfd h ILE 765 CO -0.17 0.20 0.00 -1.22 -0.69 0.00 0.00 178.15 176.27 1kfd n TYR 766 N -4.52 0.70 -0.90 1.37 4.01 -0.53 -4.36 117.16 112.92 1kfd n TYR 766 Ca 0.11 -0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1kfd n TYR 766 Cb 0.09 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1kfd n TYR 766 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kfd n GLY 767 N 1.16 0.03 3.70 2.72 0.00 -0.33 -4.84 105.19 107.62 1kfd n GLY 767 Ca 0.16 0.00 -0.66 0.00 0.00 0.00 0.00 46.02 45.52 1kfd n GLY 767 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1kfd n MET 768 N 0.25 0.17 -1.55 1.61 0.00 -0.48 -4.80 117.12 112.33 1kfd n MET 768 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 57.70 57.46 1kfd n MET 768 Cb 0.38 -1.59 -0.06 0.00 0.00 0.00 0.00 33.22 31.95 1kfd n MET 768 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1kfd n SER 769 N 4.57 1.84 0.00 6.12 3.41 -1.26 -4.76 113.62 123.55 1kfd n SER 769 Ca 0.33 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1kfd n SER 769 Cb -0.03 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.42 1kfd n SER 769 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kfd n ALA 770 N 15.71 0.00 0.41 7.33 0.00 -1.26 0.04 120.51 142.73 1kfd n ALA 770 Ca 0.44 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.00 1kfd n ALA 770 Cb 0.45 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.40 1kfd n ALA 770 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1kfd n PHE 771 N 0.00 0.87 -0.12 0.00 -1.74 -1.26 -2.17 117.46 113.04 1kfd n PHE 771 Ca 0.00 0.34 0.04 0.00 -0.56 0.00 0.00 57.45 57.27 1kfd n PHE 771 Cb 0.00 -1.04 0.36 0.00 1.52 0.00 0.00 39.48 40.32 1kfd n PHE 771 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 1kfd h GLY 772 N 2.41 0.82 0.99 4.97 0.00 -0.69 0.18 103.07 111.75 1kfd h GLY 772 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1kfd h GLY 772 CO 0.00 0.26 0.13 -2.00 0.00 0.00 0.00 176.54 174.93 1kfd h LEU 773 N 0.73 0.81 -1.43 3.11 6.46 -1.67 -0.38 115.31 122.95 1kfd h LEU 773 Ca 0.24 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1kfd h LEU 773 Cb 0.04 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 1kfd h LEU 773 CO -0.06 0.83 0.00 0.00 -0.62 0.00 0.00 178.44 178.59 1kfd h ALA 774 N 1.01 1.00 0.00 1.25 0.00 -0.82 0.23 119.26 121.92 1kfd h ALA 774 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.79 1kfd h ALA 774 Cb 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1kfd h ALA 774 CO 0.00 0.00 -2.00 2.89 0.00 0.00 0.00 179.25 180.15 1kfd n ARG 775 N -2.70 0.66 -0.02 0.00 1.85 -0.49 -3.36 116.66 112.61 1kfd n ARG 775 Ca 0.00 0.11 -0.10 0.00 -1.00 0.00 0.00 57.85 56.86 1kfd n ARG 775 Cb 0.21 -1.65 -0.08 0.00 -1.05 0.00 0.00 32.46 29.89 1kfd n ARG 775 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1kfd h GLN 776 N 0.00 -0.08 -3.64 2.89 7.50 -0.68 -3.29 115.11 117.81 1kfd h GLN 776 Ca -0.36 0.01 -0.77 0.00 0.50 0.00 0.00 58.65 58.03 1kfd h GLN 776 Cb 1.97 0.02 -0.19 0.00 0.05 0.00 0.00 27.48 29.33 1kfd h GLN 776 CO 0.04 0.47 1.58 -0.11 -1.50 0.00 0.00 178.83 179.32 1kfd n LEU 777 N -4.77 6.27 -3.24 1.46 7.94 0.79 -4.90 117.00 120.54 1kfd n LEU 777 Ca -0.07 -4.73 -0.21 0.00 -1.11 0.00 0.00 56.01 49.88 1kfd n LEU 777 Cb 0.29 -1.47 -0.05 0.00 0.53 0.00 0.00 43.42 42.71 1kfd n LEU 777 CO 0.23 1.31 1.29 -3.20 -1.11 0.00 0.00 177.39 175.91 1kfd n ASN 778 N 3.68 0.70 0.00 1.96 5.15 -1.21 -3.88 115.26 121.65 1kfd n ASN 778 Ca 0.36 -2.25 0.00 0.00 -0.60 0.00 0.00 54.58 52.09 1kfd n ASN 778 Cb 0.37 -0.54 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 1kfd n ASN 778 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kfd n ILE 779 N 5.85 0.00 -2.64 -1.44 3.06 -1.23 -5.02 119.36 117.94 1kfd n ILE 779 Ca 0.23 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.39 1kfd n ILE 779 Cb 0.20 0.00 0.04 0.00 0.54 0.00 0.00 39.64 40.42 1kfd n ILE 779 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1kfd n PRO 780 N -1.04 0.51 0.00 9.51 -0.04 -1.25 -5.12 135.00 137.58 1kfd n PRO 780 Ca 0.00 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1kfd n PRO 780 Cb 0.00 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 1kfd n PRO 780 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1kfd n ARG 781 N -1.69 0.00 0.00 0.54 5.12 -1.26 -4.82 116.66 114.55 1kfd n ARG 781 Ca 0.07 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 56.03 1kfd n ARG 781 Cb 0.25 0.00 0.25 0.00 -1.16 0.00 0.00 32.46 31.81 1kfd n ARG 781 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1kfd n LYS 782 N 0.00 0.31 0.13 5.56 4.81 -1.26 -0.94 118.16 126.78 1kfd n LYS 782 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1kfd n LYS 782 Cb 0.00 -1.43 0.23 0.00 0.02 0.00 0.00 35.03 33.85 1kfd n LYS 782 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1kfd h GLU 783 N 0.00 0.09 -0.23 1.64 4.22 -1.99 -1.21 114.58 117.09 1kfd h GLU 783 Ca 0.00 -0.05 -0.13 0.00 0.08 0.00 0.00 59.36 59.26 1kfd h GLU 783 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1kfd h GLU 783 CO 0.00 0.57 -0.39 0.00 -2.18 0.00 0.00 179.01 177.01 1kfd h ALA 784 N 1.42 0.88 -0.35 2.92 0.00 -1.39 -0.99 119.26 121.76 1kfd h ALA 784 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1kfd h ALA 784 Cb 0.91 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1kfd h ALA 784 CO 0.07 0.64 -0.26 0.37 0.00 0.00 0.00 179.25 180.06 1kfd h GLN 785 N 0.44 0.72 -0.81 0.00 5.75 -1.62 0.29 115.11 119.89 1kfd h GLN 785 Ca 0.04 -0.30 -0.00 0.00 -0.15 0.00 0.00 58.65 58.23 1kfd h GLN 785 Cb 0.88 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.37 1kfd h GLN 785 CO 0.08 0.91 0.49 -0.22 -2.65 0.00 0.00 178.83 177.43 1kfd h LYS 786 N 0.62 1.10 -0.39 1.69 3.64 -0.68 -1.47 116.57 121.08 1kfd h LYS 786 Ca 0.08 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1kfd h LYS 786 Cb 0.76 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1kfd h LYS 786 CO 0.06 0.77 0.18 1.88 -2.27 0.00 0.00 179.45 180.07 1kfd h TYR 787 N 1.11 0.56 0.12 1.91 0.05 -0.52 -1.82 116.97 118.39 1kfd h TYR 787 Ca 0.29 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.05 1kfd h TYR 787 Cb -0.05 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 1kfd h TYR 787 CO -0.01 0.47 -0.16 0.52 -1.05 0.00 0.00 178.16 177.94 1kfd h MET 788 N 0.49 -0.32 -0.25 4.88 2.86 -0.57 -0.99 114.93 121.03 1kfd h MET 788 Ca 0.13 0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 1kfd h MET 788 Cb 0.12 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1kfd h MET 788 CO -0.02 -0.21 -0.27 -0.44 1.06 0.00 0.00 176.91 177.04 1kfd h ASP 789 N -0.33 0.49 -0.75 1.22 3.32 -1.25 -1.99 116.42 117.13 1kfd h ASP 789 Ca 0.01 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1kfd h ASP 789 Cb 0.33 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1kfd h ASP 789 CO -0.07 0.75 0.30 -0.07 -1.72 0.00 0.00 179.24 178.43 1kfd h LEU 790 N 0.43 1.05 0.11 1.55 3.38 -1.18 -0.71 115.31 119.94 1kfd h LEU 790 Ca 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1kfd h LEU 790 Cb 0.69 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1kfd h LEU 790 CO 0.05 0.93 -0.05 0.22 0.09 0.00 0.00 178.44 179.68 1kfd h TYR 791 N 1.11 -0.14 0.00 1.13 5.03 -0.74 -2.42 116.97 120.94 1kfd h TYR 791 Ca 0.25 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.55 1kfd h TYR 791 Cb 0.21 0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.54 1kfd h TYR 791 CO 0.02 0.01 -0.04 0.74 -1.32 0.00 0.00 178.16 177.57 1kfd h PHE 792 N -0.27 0.00 0.00 -3.82 0.04 -1.08 0.84 116.94 112.65 1kfd h PHE 792 Ca -0.02 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1kfd h PHE 792 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1kfd h PHE 792 CO -0.03 0.04 -0.23 1.49 -0.60 0.00 0.00 178.31 178.98 1kfd h GLU 793 N 0.00 0.00 0.00 1.51 4.22 -0.81 -1.56 114.58 117.94 1kfd h GLU 793 Ca -0.00 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.27 1kfd h GLU 793 Cb 0.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1kfd h GLU 793 CO 0.01 0.23 -1.95 -2.13 -2.18 0.00 0.00 179.01 172.98 1kfd n ARG 794 N -3.21 1.09 -3.40 1.92 3.00 -0.21 -4.68 116.66 111.16 1kfd n ARG 794 Ca 0.02 -0.06 -0.26 0.00 -0.00 0.00 0.00 57.85 57.54 1kfd n ARG 794 Cb 0.55 -1.40 -0.08 0.00 0.00 0.00 0.00 32.46 31.53 1kfd n ARG 794 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1kfd n TYR 795 N -2.38 1.60 0.00 -0.14 4.01 0.28 -4.84 117.16 115.68 1kfd n TYR 795 Ca -0.17 -3.86 -0.03 0.00 -0.16 0.00 0.00 57.90 53.68 1kfd n TYR 795 Cb 0.79 -0.39 0.20 0.00 -0.31 0.00 0.00 39.34 39.63 1kfd n TYR 795 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1kfd h PRO 796 N 4.47 0.51 -0.91 -0.72 0.13 -1.50 -2.97 132.00 131.02 1kfd h PRO 796 Ca 0.16 -0.19 0.26 0.00 -0.87 0.00 0.00 66.00 65.36 1kfd h PRO 796 Cb 0.78 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.84 1kfd h PRO 796 CO 0.63 0.71 0.65 0.78 -0.23 0.00 0.00 178.00 180.54 1kfd h GLY 797 N 1.00 0.09 1.22 1.56 0.00 -1.85 0.57 103.07 105.66 1kfd h GLY 797 Ca 0.07 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 1kfd h GLY 797 CO 0.05 -0.00 -0.38 -2.08 0.00 0.00 0.00 176.54 174.13 1kfd h VAL 798 N 0.04 1.28 0.00 4.60 2.07 -1.72 -2.26 116.25 120.26 1kfd h VAL 798 Ca 0.44 -1.55 -0.13 0.00 0.82 0.00 0.00 66.70 66.28 1kfd h VAL 798 Cb 1.69 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1kfd h VAL 798 CO -0.02 0.51 -0.76 0.17 0.02 0.00 0.00 177.57 177.49 1kfd h LEU 799 N 0.71 0.00 -1.30 2.57 8.10 -1.08 -2.27 115.31 122.03 1kfd h LEU 799 Ca 0.06 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.04 1kfd h LEU 799 Cb 0.95 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.14 1kfd h LEU 799 CO 0.09 0.55 0.33 -0.33 -4.11 0.00 0.00 178.44 174.98 1kfd h GLU 800 N 0.00 0.81 0.31 0.17 5.08 -1.26 0.11 114.58 119.80 1kfd h GLU 800 Ca -0.04 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1kfd h GLU 800 Cb 1.46 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1kfd h GLU 800 CO 0.07 0.59 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.59 1kfd h TYR 801 N 0.82 -0.39 -0.22 4.33 3.20 -1.37 -1.28 116.97 122.07 1kfd h TYR 801 Ca 0.21 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1kfd h TYR 801 Cb 0.01 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1kfd h TYR 801 CO 0.00 -0.11 0.13 0.52 -1.64 0.00 0.00 178.16 177.06 1kfd h MET 802 N -0.63 0.29 -0.01 1.82 2.86 -0.76 0.13 114.93 118.62 1kfd h MET 802 Ca -0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1kfd h MET 802 Cb 0.45 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1kfd h MET 802 CO 0.07 0.21 -0.03 0.93 1.06 0.00 0.00 176.91 179.15 1kfd h GLU 803 N 0.30 0.03 -0.47 1.72 5.08 -0.75 -2.66 114.58 117.82 1kfd h GLU 803 Ca 0.08 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1kfd h GLU 803 Cb -0.01 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1kfd h GLU 803 CO -0.01 0.66 0.18 -0.09 -1.00 0.00 0.00 179.01 178.74 1kfd h ARG 804 N -0.58 0.34 -0.38 2.33 2.43 -0.70 -1.02 114.38 116.80 1kfd h ARG 804 Ca -0.00 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1kfd h ARG 804 Cb 0.66 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1kfd h ARG 804 CO 0.01 0.23 -0.20 1.15 -1.51 0.00 0.00 179.97 179.64 1kfd h THR 805 N 0.35 1.28 -0.86 0.20 2.02 -1.07 -1.37 112.91 113.47 1kfd h THR 805 Ca 0.22 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 1kfd h THR 805 Cb 0.22 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1kfd h THR 805 CO -0.22 0.44 0.49 0.03 0.37 0.00 0.00 175.52 176.64 1kfd h ARG 806 N 0.60 1.18 0.11 6.66 3.08 -1.19 -0.36 114.38 124.46 1kfd h ARG 806 Ca 0.08 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1kfd h ARG 806 Cb 0.76 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1kfd h ARG 806 CO 0.06 0.85 -0.05 0.00 -1.07 0.00 0.00 179.97 179.76 1kfd h ALA 807 N 1.27 -0.14 0.00 0.04 0.00 -0.88 -1.30 119.26 118.25 1kfd h ALA 807 Ca 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1kfd h ALA 807 Cb -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1kfd h ALA 807 CO -0.05 -0.58 -0.05 -0.56 0.00 0.00 0.00 179.25 178.00 1kfd h GLN 808 N -0.14 0.00 -0.51 0.00 3.07 -1.04 0.10 115.11 116.59 1kfd h GLN 808 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.66 1kfd h GLN 808 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.65 1kfd h GLN 808 CO 0.02 0.05 0.06 0.00 0.09 0.00 0.00 178.83 179.05 1kfd h ALA 809 N 1.95 0.68 0.00 0.06 0.00 -0.39 0.50 119.26 122.06 1kfd h ALA 809 Ca -0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1kfd h ALA 809 Cb 0.75 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1kfd h ALA 809 CO 0.01 0.45 -0.77 0.87 0.00 0.00 0.00 179.25 179.80 1kfd h LYS 810 N 0.74 0.00 0.02 0.00 1.57 -0.62 -1.39 116.57 116.89 1kfd h LYS 810 Ca 0.15 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1kfd h LYS 810 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1kfd h LYS 810 CO 0.02 0.77 -0.16 1.49 -0.57 0.00 0.00 179.45 180.99 1kfd h GLU 811 N 0.00 0.08 0.00 3.15 4.57 -0.83 -3.39 114.58 118.16 1kfd h GLU 811 Ca -0.01 -0.11 -0.31 0.00 -1.18 0.00 0.00 59.36 57.75 1kfd h GLU 811 Cb 1.37 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.95 1kfd h GLU 811 CO 0.10 0.96 -1.92 1.04 -1.18 0.00 0.00 179.01 178.01 1kfd n GLN 812 N -4.55 0.65 -0.19 1.92 6.02 0.15 -4.99 117.38 116.39 1kfd n GLN 812 Ca -0.10 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1kfd n GLN 812 Cb 0.51 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 30.06 1kfd n GLN 812 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kfd n GLY 813 N 1.61 0.64 3.30 1.08 0.00 -0.52 -5.03 105.19 106.27 1kfd n GLY 813 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1kfd n GLY 813 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kfd s TYR 814 N -2.44 -0.18 0.35 1.61 1.13 -1.25 -1.02 117.35 115.56 1kfd s TYR 814 Ca 0.00 -0.10 0.08 0.00 -1.41 0.00 0.00 57.07 55.64 1kfd s TYR 814 Cb 0.00 0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 41.03 1kfd s TYR 814 CO 0.00 -0.66 0.10 0.14 -2.51 0.00 0.00 175.55 172.62 1kfd s VAL 815 N -3.57 2.78 0.12 -3.49 -7.23 -0.04 -4.37 120.40 104.61 1kfd s VAL 815 Ca 0.02 -1.79 0.07 0.00 -1.81 0.00 0.00 61.98 58.47 1kfd s VAL 815 Cb 0.02 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 1kfd s VAL 815 CO -0.10 -0.16 -0.16 -1.61 -0.31 0.00 0.00 175.10 172.76 1kfd s GLU 816 N -3.81 1.06 0.66 4.82 2.02 -1.26 -1.43 118.70 120.76 1kfd s GLU 816 Ca 0.37 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1kfd s GLU 816 Cb -0.01 -1.07 0.10 0.00 0.10 0.00 0.00 34.13 33.25 1kfd s GLU 816 CO 0.22 0.22 0.92 0.95 0.02 0.00 0.00 175.26 177.59 1kfd s THR 817 N -1.80 2.29 0.61 3.63 -4.23 0.33 -4.56 115.64 111.91 1kfd s THR 817 Ca 0.08 -0.63 0.36 0.00 -1.18 0.00 0.00 61.69 60.32 1kfd s THR 817 Cb -0.07 -2.66 0.39 0.00 1.34 0.00 0.00 72.50 71.50 1kfd s THR 817 CO 0.04 0.00 2.30 -0.07 -0.54 0.00 0.00 174.62 176.34 1kfd h LEU 818 N -0.32 0.00 -1.93 4.79 4.07 -1.90 -2.07 115.31 117.96 1kfd h LEU 818 Ca -0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.58 1kfd h LEU 818 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1kfd h LEU 818 CO 0.44 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.28 1kfd n ASP 819 N -3.54 2.98 0.00 -0.43 9.92 -1.26 -4.96 116.55 119.26 1kfd n ASP 819 Ca -0.03 -1.98 0.00 0.00 -0.53 0.00 0.00 54.79 52.25 1kfd n ASP 819 Cb 0.08 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 1kfd n ASP 819 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1kfd n GLY 820 N 1.36 1.80 3.76 0.44 0.00 -0.78 -4.40 105.19 107.36 1kfd n GLY 820 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1kfd n GLY 820 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1kfd n ARG 821 N -0.69 2.69 -4.86 1.61 0.63 -1.26 -3.58 116.66 111.20 1kfd n ARG 821 Ca 0.00 0.95 -0.31 0.00 -0.92 0.00 0.00 57.85 57.57 1kfd n ARG 821 Cb 0.00 -2.71 -0.14 0.00 0.45 0.00 0.00 32.46 30.06 1kfd n ARG 821 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1kfd s ARG 822 N -1.30 2.07 -0.15 -0.14 0.52 -1.26 -0.51 118.95 118.18 1kfd s ARG 822 Ca 0.59 -0.96 0.01 0.00 -0.52 0.00 0.00 55.73 54.84 1kfd s ARG 822 Cb -0.48 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 32.85 1kfd s ARG 822 CO 0.56 0.55 -0.18 -1.17 0.02 0.00 0.00 175.30 175.08 1kfd s LEU 823 N -1.15 2.35 -0.21 2.53 2.96 -0.51 -4.66 118.68 119.99 1kfd s LEU 823 Ca 0.13 -0.51 -0.17 0.00 -0.22 0.00 0.00 54.13 53.36 1kfd s LEU 823 Cb -0.10 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1kfd s LEU 823 CO 0.03 0.09 0.44 -0.31 -1.32 0.00 0.00 176.35 175.28 1kfd s TYR 824 N 0.78 3.36 -0.90 5.38 2.02 -1.26 -0.86 117.35 125.88 1kfd s TYR 824 Ca -0.07 0.66 -0.03 0.00 -0.37 0.00 0.00 57.07 57.26 1kfd s TYR 824 Cb -0.15 -2.58 0.22 0.00 -0.40 0.00 0.00 41.96 39.05 1kfd s TYR 824 CO -0.00 -0.06 0.79 -0.51 -1.57 0.00 0.00 175.55 174.20 1kfd s LEU 825 N 1.48 5.64 0.00 -1.29 1.43 -0.19 -4.90 118.68 120.84 1kfd s LEU 825 Ca 0.21 -3.63 0.04 0.00 -1.03 0.00 0.00 54.13 49.71 1kfd s LEU 825 Cb -0.15 -1.94 0.23 0.00 0.03 0.00 0.00 46.19 44.36 1kfd s LEU 825 CO 0.09 -0.21 0.84 -0.81 0.23 0.00 0.00 176.35 176.48 1kfd n PRO 826 N 2.48 0.66 0.00 1.29 -0.04 -1.26 -2.25 135.00 135.87 1kfd n PRO 826 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1kfd n PRO 826 Cb 0.37 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1kfd n PRO 826 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1kfd n ASP 827 N -0.59 1.34 0.30 3.54 9.92 -1.26 -4.68 116.55 125.12 1kfd n ASP 827 Ca 0.03 -1.43 0.18 0.00 -0.53 0.00 0.00 54.79 53.04 1kfd n ASP 827 Cb 0.01 0.00 0.97 0.00 -0.64 0.00 0.00 41.12 41.46 1kfd n ASP 827 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1kfd h ILE 828 N 0.17 0.27 -0.09 0.53 6.09 -1.73 -0.38 117.51 122.38 1kfd h ILE 828 Ca 0.00 -0.18 -0.05 0.00 -1.37 0.00 0.00 64.86 63.26 1kfd h ILE 828 Cb 0.28 1.14 -0.03 0.00 0.47 0.00 0.00 36.82 38.67 1kfd h ILE 828 CO 0.00 0.03 -0.43 2.29 -3.07 0.00 0.00 178.15 176.97 1kfd n LYS 829 N -3.42 1.68 -2.27 2.19 0.00 -1.26 -4.88 118.16 110.21 1kfd n LYS 829 Ca -0.02 -3.31 -0.42 0.00 -0.00 0.00 0.00 58.31 54.56 1kfd n LYS 829 Cb 0.14 -1.67 -0.03 0.00 -0.00 0.00 0.00 35.03 33.46 1kfd n LYS 829 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1kfd s SER 830 N -3.11 6.93 -0.50 -5.58 0.15 -0.15 -4.87 113.70 106.57 1kfd s SER 830 Ca 0.40 2.25 -0.27 0.00 0.70 0.00 0.00 55.95 59.03 1kfd s SER 830 Cb 0.38 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 1kfd s SER 830 CO -0.06 -0.55 2.09 -0.44 1.20 0.00 0.00 173.24 175.48 1kfd s SER 831 N 0.82 5.04 0.00 5.45 0.01 -1.26 -4.19 113.70 119.57 1kfd s SER 831 Ca 0.60 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.72 1kfd s SER 831 Cb -0.34 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.37 1kfd s SER 831 CO 0.32 -2.45 0.00 -3.20 0.41 0.00 0.00 173.24 168.32 1kfd n ASN 832 N 13.56 0.00 -1.99 2.44 5.15 -1.26 -4.78 115.26 128.38 1kfd n ASN 832 Ca 0.28 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 54.09 1kfd n ASN 832 Cb 0.52 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.76 1kfd n ASN 832 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kfd n GLY 833 N -0.36 3.81 4.43 8.20 0.00 -1.26 -4.91 105.19 115.09 1kfd n GLY 833 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1kfd n GLY 833 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfd n ALA 834 N 0.88 0.00 1.14 4.61 0.00 -1.26 -1.28 120.51 124.60 1kfd n ALA 834 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1kfd n ALA 834 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1kfd n ALA 834 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1kfd n ARG 835 N 0.00 0.70 0.23 0.00 3.00 -1.26 -2.28 116.66 117.05 1kfd n ARG 835 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.85 58.01 1kfd n ARG 835 Cb 0.00 -1.13 0.84 0.00 0.00 0.00 0.00 32.46 32.17 1kfd n ARG 835 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1kfd h ARG 836 N 0.11 0.00 -0.18 -0.14 0.11 -1.53 0.14 114.38 112.89 1kfd h ARG 836 Ca 0.00 0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.13 1kfd h ARG 836 Cb 0.13 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 1kfd h ARG 836 CO 0.00 0.00 0.23 0.00 0.10 0.00 0.00 179.97 180.30 1kfd h ALA 837 N 1.84 1.75 -0.21 0.08 0.00 -1.75 -1.47 119.26 119.50 1kfd h ALA 837 Ca 0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1kfd h ALA 837 Cb 0.35 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1kfd h ALA 837 CO -0.00 -0.32 0.16 0.00 0.00 0.00 0.00 179.25 179.08 1kfd h ALA 838 N 1.71 2.12 0.00 0.00 0.00 -1.24 0.31 119.26 122.16 1kfd h ALA 838 Ca 0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1kfd h ALA 838 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1kfd h ALA 838 CO -0.00 -0.27 -0.54 0.00 0.00 0.00 0.00 179.25 178.45 1kfd h ALA 839 N 1.88 0.93 -0.11 0.00 0.00 -1.47 -0.23 119.26 120.26 1kfd h ALA 839 Ca 0.10 -0.49 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 1kfd h ALA 839 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1kfd h ALA 839 CO -0.00 0.67 -0.74 0.93 0.00 0.00 0.00 179.25 180.11 1kfd h GLU 840 N 0.00 0.55 -0.04 0.00 5.08 -1.08 0.34 114.58 119.44 1kfd h GLU 840 Ca -0.01 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1kfd h GLU 840 Cb 1.07 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1kfd h GLU 840 CO 0.07 1.07 -0.00 -0.09 -1.00 0.00 0.00 179.01 179.06 1kfd h ARG 841 N 0.38 0.06 -0.21 2.33 2.43 -1.30 -1.56 114.38 116.50 1kfd h ARG 841 Ca -0.04 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1kfd h ARG 841 Cb 1.34 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1kfd h ARG 841 CO 0.14 0.37 0.06 0.00 -1.51 0.00 0.00 179.97 179.03 1kfd h ALA 842 N 0.69 1.71 -0.19 2.80 0.00 -0.98 0.88 119.26 124.17 1kfd h ALA 842 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1kfd h ALA 842 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1kfd h ALA 842 CO 0.00 0.23 0.09 0.00 0.00 0.00 0.00 179.25 179.57 1kfd h ALA 843 N 1.78 0.25 0.00 0.00 0.00 0.08 -1.01 119.26 120.36 1kfd h ALA 843 Ca 0.07 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1kfd h ALA 843 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1kfd h ALA 843 CO -0.01 -0.19 -0.83 -0.84 0.00 0.00 0.00 179.25 177.38 1kfd h ILE 844 N 0.18 1.50 0.22 0.00 3.07 -0.28 -3.35 117.51 118.85 1kfd h ILE 844 Ca 0.07 -2.93 -0.32 0.00 1.55 0.00 0.00 64.86 63.22 1kfd h ILE 844 Cb 0.12 2.62 0.03 0.00 -0.27 0.00 0.00 36.82 39.32 1kfd h ILE 844 CO -0.01 0.81 -1.41 -1.13 -1.05 0.00 0.00 178.15 175.37 1kfd h ASN 845 N 0.00 0.79 -0.76 2.16 -0.73 -0.79 -3.38 115.58 112.87 1kfd h ASN 845 Ca -0.01 -0.82 0.11 0.00 1.87 0.00 0.00 56.30 57.45 1kfd h ASN 845 Cb 1.55 -0.25 -0.08 0.00 0.27 0.00 0.00 38.32 39.81 1kfd h ASN 845 CO 0.11 1.64 0.39 0.00 -0.37 0.00 0.00 177.43 179.19 1kfd h ALA 846 N 0.25 1.08 -0.65 1.57 0.00 -1.32 -0.82 119.26 119.37 1kfd h ALA 846 Ca -0.23 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1kfd h ALA 846 Cb 2.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.81 1kfd h ALA 846 CO 0.26 -0.04 0.43 -1.35 0.00 0.00 0.00 179.25 178.55 1kfd h PRO 847 N 0.63 0.77 0.07 0.00 0.11 -1.75 0.45 132.00 132.26 1kfd h PRO 847 Ca 0.39 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.33 1kfd h PRO 847 Cb 0.44 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.39 1kfd h PRO 847 CO -0.29 0.51 -0.52 0.52 -0.21 0.00 0.00 178.00 178.00 1kfd h MET 848 N 0.79 0.24 -0.38 1.05 2.86 -1.53 -2.50 114.93 115.45 1kfd h MET 848 Ca 0.26 -0.34 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 1kfd h MET 848 Cb 0.05 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1kfd h MET 848 CO -0.07 1.12 -0.21 0.37 1.06 0.00 0.00 176.91 179.18 1kfd h GLN 849 N -0.47 0.75 -0.07 1.72 5.75 -1.06 -2.48 115.11 119.25 1kfd h GLN 849 Ca -0.08 -0.29 -0.18 0.00 -0.15 0.00 0.00 58.65 57.94 1kfd h GLN 849 Cb 1.35 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.86 1kfd h GLN 849 CO 0.10 0.90 -0.73 0.78 -2.65 0.00 0.00 178.83 177.23 1kfd h GLY 850 N 0.97 0.43 1.47 2.39 0.00 -1.01 -2.04 103.07 105.28 1kfd h GLY 850 Ca 0.09 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.68 1kfd h GLY 850 CO 0.05 0.54 -0.42 -0.84 0.00 0.00 0.00 176.54 175.88 1kfd h THR 851 N 0.26 1.30 0.18 4.70 2.02 -1.36 -1.00 112.91 119.01 1kfd h THR 851 Ca -0.03 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.56 1kfd h THR 851 Cb 1.30 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1kfd h THR 851 CO 0.12 0.50 -0.17 0.00 0.37 0.00 0.00 175.52 176.35 1kfd h ALA 852 N 1.07 -0.34 0.05 6.16 0.00 -1.33 -1.28 119.26 123.59 1kfd h ALA 852 Ca 0.04 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1kfd h ALA 852 Cb 0.92 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1kfd h ALA 852 CO 0.08 -0.72 -0.35 0.00 0.00 0.00 0.00 179.25 178.26 1kfd h ALA 853 N 0.41 -0.57 -0.63 0.00 0.00 -1.18 -0.94 119.26 116.35 1kfd h ALA 853 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1kfd h ALA 853 Cb 0.35 0.60 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 1kfd h ALA 853 CO -0.04 -0.89 0.15 -0.44 0.00 0.00 0.00 179.25 178.03 1kfd h ASP 854 N -0.54 0.03 -0.37 0.00 3.32 -1.11 -0.82 116.42 116.92 1kfd h ASP 854 Ca 0.04 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1kfd h ASP 854 Cb 0.60 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1kfd h ASP 854 CO -0.25 0.01 0.20 0.40 -1.72 0.00 0.00 179.24 177.88 1kfd h ILE 855 N 0.28 1.15 -0.06 0.35 2.04 -0.65 0.16 117.51 120.78 1kfd h ILE 855 Ca 0.34 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1kfd h ILE 855 Cb 0.51 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1kfd h ILE 855 CO -0.42 0.16 -0.16 0.40 0.00 0.00 0.00 178.15 178.14 1kfd h ILE 856 N 0.47 0.60 -0.69 -0.67 1.08 -0.16 -0.45 117.51 117.69 1kfd h ILE 856 Ca 0.13 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.66 1kfd h ILE 856 Cb 0.08 0.60 -0.06 0.00 -3.07 0.00 0.00 36.82 34.37 1kfd h ILE 856 CO -0.02 0.00 0.39 0.11 -0.69 0.00 0.00 178.15 177.94 1kfd h LYS 857 N -0.23 0.68 -0.40 2.37 1.57 -0.94 0.14 116.57 119.77 1kfd h LYS 857 Ca 0.07 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1kfd h LYS 857 Cb 0.33 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1kfd h LYS 857 CO -0.19 0.45 0.04 0.00 -0.57 0.00 0.00 179.45 179.18 1kfd h ARG 858 N 0.71 0.62 -0.40 3.15 -0.00 -0.61 -1.59 114.38 116.26 1kfd h ARG 858 Ca 0.31 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.98 59.54 1kfd h ARG 858 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.08 1kfd h ARG 858 CO -0.19 0.61 -0.24 0.00 0.00 0.00 0.00 179.97 180.15 1kfd h ALA 859 N 1.45 0.57 -0.42 0.04 0.00 0.70 -0.66 119.26 120.94 1kfd h ALA 859 Ca 0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1kfd h ALA 859 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1kfd h ALA 859 CO 0.01 0.57 0.18 0.52 0.00 0.00 0.00 179.25 180.53 1kfd h MET 860 N 0.69 0.62 -0.32 0.00 2.86 -0.31 -0.14 114.93 118.33 1kfd h MET 860 Ca 0.08 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1kfd h MET 860 Cb 0.81 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1kfd h MET 860 CO 0.07 0.56 -0.01 0.82 1.06 0.00 0.00 176.91 179.41 1kfd h ILE 861 N 0.54 1.26 -0.54 -1.22 2.04 -1.27 -0.86 117.51 117.47 1kfd h ILE 861 Ca 0.14 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1kfd h ILE 861 Cb 0.16 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1kfd h ILE 861 CO -0.01 0.32 0.28 0.00 0.00 0.00 0.00 178.15 178.74 1kfd h ALA 862 N 0.84 0.69 -0.34 1.87 0.00 -0.82 -2.13 119.26 119.36 1kfd h ALA 862 Ca 0.09 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1kfd h ALA 862 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1kfd h ALA 862 CO 0.02 0.22 -0.28 0.28 0.00 0.00 0.00 179.25 179.50 1kfd h VAL 863 N 0.72 1.29 -0.12 0.00 2.07 -0.95 -2.88 116.25 116.37 1kfd h VAL 863 Ca 0.19 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 1kfd h VAL 863 Cb 0.08 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1kfd h VAL 863 CO -0.03 0.47 -0.00 -0.78 0.02 0.00 0.00 177.57 177.25 1kfd h ASP 864 N 0.57 0.15 -0.34 0.57 3.58 -1.07 -1.45 116.42 118.43 1kfd h ASP 864 Ca 0.06 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 1kfd h ASP 864 Cb 0.85 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 1kfd h ASP 864 CO 0.07 0.19 0.10 0.00 -2.88 0.00 0.00 179.24 176.72 1kfd h ALA 865 N 1.83 0.45 0.20 -0.78 0.00 -1.18 0.21 119.26 120.01 1kfd h ALA 865 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1kfd h ALA 865 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1kfd h ALA 865 CO 0.00 0.11 -0.10 2.35 0.00 0.00 0.00 179.25 181.61 1kfd h TRP 866 N 0.40 -0.25 -0.91 0.00 7.01 -1.30 0.33 115.95 121.23 1kfd h TRP 866 Ca 0.11 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.25 1kfd h TRP 866 Cb 0.27 0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.34 1kfd h TRP 866 CO 0.01 -0.02 0.58 -0.07 -2.79 0.00 0.00 178.44 176.15 1kfd h LEU 867 N -0.45 0.66 -0.18 0.65 4.07 -1.21 0.17 115.31 119.01 1kfd h LEU 867 Ca -0.03 0.04 -0.22 0.00 0.08 0.00 0.00 57.88 57.75 1kfd h LEU 867 Cb 0.35 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 42.01 1kfd h LEU 867 CO 0.05 0.32 -0.79 1.56 -1.08 0.00 0.00 178.44 178.50 1kfd h GLN 868 N 0.69 0.75 0.04 1.13 1.08 -0.56 -1.33 115.11 116.91 1kfd h GLN 868 Ca 0.46 -0.62 -0.10 0.00 -1.45 0.00 0.00 58.65 56.94 1kfd h GLN 868 Cb 0.76 0.13 0.01 0.00 -0.05 0.00 0.00 27.48 28.33 1kfd h GLN 868 CO -0.22 1.23 -0.42 0.00 -0.95 0.00 0.00 178.83 178.47 1kfd h ALA 869 N 0.59 -0.00 0.00 3.87 0.00 -0.18 -3.37 119.26 120.17 1kfd h ALA 869 Ca -0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1kfd h ALA 869 Cb 1.41 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1kfd h ALA 869 CO 0.16 0.19 -1.05 -1.91 0.00 0.00 0.00 179.25 176.64 1kfd n GLU 870 N -4.37 0.61 -3.82 0.00 2.13 0.52 -5.02 120.64 110.68 1kfd n GLU 870 Ca -0.11 0.14 -0.27 0.00 0.66 0.00 0.00 57.16 57.58 1kfd n GLU 870 Cb 0.62 -1.83 0.01 0.00 0.27 0.00 0.00 31.44 30.51 1kfd n GLU 870 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1kfd n GLN 871 N -2.70 -2.90 -1.42 5.31 6.02 -0.50 -5.00 117.38 116.19 1kfd n GLN 871 Ca -0.01 0.46 -0.29 0.00 -0.01 0.00 0.00 57.00 57.14 1kfd n GLN 871 Cb 0.59 -4.50 0.17 0.00 1.02 0.00 0.00 30.24 27.51 1kfd n GLN 871 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1kfd s PRO 872 N -6.27 0.41 -1.37 -1.09 0.04 -1.26 -4.88 135.00 120.58 1kfd s PRO 872 Ca 0.16 0.16 -0.15 0.00 0.04 0.00 0.00 61.00 61.21 1kfd s PRO 872 Cb -0.06 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.79 1kfd s PRO 872 CO 0.87 -2.66 1.98 0.54 0.04 0.00 0.00 177.00 177.76 1kfd n ARG 873 N -4.07 3.07 -3.65 4.56 1.74 -1.26 -4.83 116.66 112.23 1kfd n ARG 873 Ca 0.09 -3.00 -0.13 0.00 -0.77 0.00 0.00 57.85 54.04 1kfd n ARG 873 Cb 0.59 -3.32 -0.06 0.00 -1.02 0.00 0.00 32.46 28.65 1kfd n ARG 873 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1kfd s VAL 874 N 3.26 0.05 -0.10 1.55 0.11 -1.26 -1.89 120.40 122.12 1kfd s VAL 874 Ca 0.49 -0.43 -0.10 0.00 -2.93 0.00 0.00 61.98 59.00 1kfd s VAL 874 Cb 0.09 -0.96 0.03 0.00 -1.53 0.00 0.00 36.38 34.01 1kfd s VAL 874 CO -0.01 -0.24 0.29 0.00 -3.33 0.00 0.00 175.10 171.81 1kfd s ARG 875 N -2.51 0.36 -0.37 1.54 1.70 -0.47 -4.97 118.95 114.22 1kfd s ARG 875 Ca -0.05 0.36 -0.27 0.00 -0.47 0.00 0.00 55.73 55.31 1kfd s ARG 875 Cb -0.01 0.17 0.02 0.00 -0.57 0.00 0.00 34.95 34.56 1kfd s ARG 875 CO -0.03 -0.05 0.97 1.41 -1.08 0.00 0.00 175.30 176.53 1kfd s MET 876 N 0.05 3.86 -0.02 3.89 -2.45 -1.26 -1.52 119.30 121.86 1kfd s MET 876 Ca -0.01 0.65 0.19 0.00 -1.25 0.00 0.00 55.69 55.27 1kfd s MET 876 Cb -0.02 -3.81 -0.27 0.00 1.25 0.00 0.00 34.83 31.99 1kfd s MET 876 CO 0.01 -0.99 0.51 0.44 1.05 0.00 0.00 175.02 176.03 1kfd n ILE 877 N 6.06 0.00 -3.62 10.11 -5.35 -0.47 -4.45 119.36 121.64 1kfd n ILE 877 Ca 0.08 -0.33 -0.06 0.00 -0.27 0.00 0.00 62.75 62.17 1kfd n ILE 877 Cb 0.48 0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 38.68 1kfd n ILE 877 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kfd s MET 878 N -3.14 0.99 -0.03 6.28 0.23 -1.12 -4.60 119.30 117.90 1kfd s MET 878 Ca -0.03 -0.47 -0.01 0.00 -1.03 0.00 0.00 55.69 54.15 1kfd s MET 878 Cb 0.12 0.39 0.03 0.00 -1.53 0.00 0.00 34.83 33.85 1kfd s MET 878 CO 0.77 -0.45 0.04 -1.14 -2.03 0.00 0.00 175.02 172.21 1kfd s GLN 879 N -3.19 -0.01 -0.09 3.16 -0.44 -1.26 -1.38 119.66 116.44 1kfd s GLN 879 Ca 0.08 0.25 -0.05 0.00 -2.50 0.00 0.00 55.36 53.15 1kfd s GLN 879 Cb -0.01 -0.39 0.04 0.00 -1.64 0.00 0.00 33.01 31.01 1kfd s GLN 879 CO -0.04 -0.23 0.21 0.54 0.50 0.00 0.00 175.29 176.27 1kfd s VAL 880 N 1.53 -0.04 0.00 1.34 0.11 -0.67 -4.98 120.40 117.68 1kfd s VAL 880 Ca -0.03 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1kfd s VAL 880 Cb -0.13 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 1kfd s VAL 880 CO -0.03 0.06 0.00 1.41 -3.33 0.00 0.00 175.10 173.21 1kfd n HIS 881 N 4.06 0.00 -1.61 1.54 8.25 -1.26 -1.03 115.22 125.16 1kfd n HIS 881 Ca -0.24 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.10 1kfd n HIS 881 Cb 0.53 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.78 1kfd n HIS 881 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1kfd n ASP 882 N 7.13 3.61 -4.12 0.41 8.00 -1.26 -4.99 116.55 125.33 1kfd n ASP 882 Ca 0.00 -3.80 -0.21 0.00 0.71 0.00 0.00 54.79 51.49 1kfd n ASP 882 Cb 0.00 -0.59 -0.14 0.00 -0.02 0.00 0.00 41.12 40.37 1kfd n ASP 882 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1kfd s GLU 883 N -3.41 1.06 -0.16 -1.24 2.12 -0.20 -1.30 118.70 115.56 1kfd s GLU 883 Ca 0.48 -0.60 -0.00 0.00 0.36 0.00 0.00 54.97 55.21 1kfd s GLU 883 Cb 0.42 -1.04 -0.00 0.00 0.26 0.00 0.00 34.13 33.76 1kfd s GLU 883 CO -0.00 0.28 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.34 1kfd s LEU 884 N -0.63 2.49 -0.05 2.70 1.02 -0.06 -1.68 118.68 122.47 1kfd s LEU 884 Ca 0.04 -0.47 0.02 0.00 0.02 0.00 0.00 54.13 53.74 1kfd s LEU 884 Cb -0.06 -1.57 -0.03 0.00 0.02 0.00 0.00 46.19 44.54 1kfd s LEU 884 CO 0.00 0.07 -0.09 -0.69 0.02 0.00 0.00 176.35 175.66 1kfd s VAL 885 N 0.91 3.50 0.09 -1.59 1.01 -0.48 -1.39 120.40 122.45 1kfd s VAL 885 Ca -0.03 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1kfd s VAL 885 Cb -0.15 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1kfd s VAL 885 CO -0.01 0.58 -0.07 -0.36 0.00 0.00 0.00 175.10 175.23 1kfd s PHE 886 N -0.80 0.86 -0.15 5.22 0.40 -0.33 -1.36 117.98 121.82 1kfd s PHE 886 Ca 0.13 -0.85 -0.05 0.00 -0.60 0.00 0.00 56.93 55.56 1kfd s PHE 886 Cb -0.11 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.89 1kfd s PHE 886 CO 0.02 -0.14 0.02 -1.21 0.70 0.00 0.00 175.22 174.61 1kfd s GLU 887 N -3.47 3.66 -0.04 0.44 2.02 -0.57 -0.77 118.70 119.97 1kfd s GLU 887 Ca 0.08 -0.40 -0.08 0.00 0.02 0.00 0.00 54.97 54.60 1kfd s GLU 887 Cb 0.03 -3.03 0.01 0.00 0.10 0.00 0.00 34.13 31.23 1kfd s GLU 887 CO -0.04 0.38 0.18 0.54 0.02 0.00 0.00 175.26 176.34 1kfd s VAL 888 N 0.04 0.04 0.22 2.63 0.11 -0.34 -1.37 120.40 121.73 1kfd s VAL 888 Ca 0.03 -0.34 -0.32 0.00 -2.93 0.00 0.00 61.98 58.43 1kfd s VAL 888 Cb -0.13 -0.37 -0.14 0.00 -1.53 0.00 0.00 36.38 34.21 1kfd s VAL 888 CO 0.02 -0.19 1.35 1.57 -3.33 0.00 0.00 175.10 174.52 1kfd n HIS 889 N 2.18 1.93 -0.19 1.54 -0.00 -0.79 -0.28 115.22 119.61 1kfd n HIS 889 Ca -0.18 0.49 0.20 0.00 0.46 0.00 0.00 57.72 58.70 1kfd n HIS 889 Cb 0.57 -2.41 0.56 0.00 -0.12 0.00 0.00 29.99 28.59 1kfd n HIS 889 CO 0.00 0.00 0.00 1.57 0.46 0.00 0.00 176.34 178.37 1kfd h LYS 890 N 4.04 0.29 0.00 1.57 2.10 -0.84 0.21 116.57 123.94 1kfd h LYS 890 Ca -0.45 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1kfd h LYS 890 Cb 1.29 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1kfd h LYS 890 CO 0.75 0.19 -0.06 -0.44 -2.00 0.00 0.00 179.45 177.89 1kfd h ASP 891 N 0.30 0.00 -0.04 7.07 3.32 -1.90 -3.30 116.42 121.87 1kfd h ASP 891 Ca 0.42 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1kfd h ASP 891 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1kfd h ASP 891 CO -0.12 0.01 0.00 0.47 -1.72 0.00 0.00 179.24 177.88 1kfd n ASP 892 N -2.38 2.54 -0.30 6.45 8.00 0.71 -4.69 116.55 126.88 1kfd n ASP 892 Ca 0.05 -1.76 -0.02 0.00 0.71 0.00 0.00 54.79 53.77 1kfd n ASP 892 Cb 0.45 -0.01 0.10 0.00 -0.02 0.00 0.00 41.12 41.63 1kfd n ASP 892 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1kfd h VAL 893 N 3.54 1.14 -0.68 2.53 2.07 -1.54 -1.88 116.25 121.42 1kfd h VAL 893 Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1kfd h VAL 893 Cb 0.76 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1kfd h VAL 893 CO 0.00 0.19 0.44 0.44 0.02 0.00 0.00 177.57 178.66 1kfd h ASP 894 N 1.03 0.79 0.54 0.57 3.32 -1.87 0.98 116.42 121.78 1kfd h ASP 894 Ca 0.32 -0.03 -0.26 0.00 0.02 0.00 0.00 57.03 57.08 1kfd h ASP 894 Cb -0.01 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.35 1kfd h ASP 894 CO -0.11 0.59 -1.16 0.00 -1.72 0.00 0.00 179.24 176.84 1kfd h ALA 895 N 1.24 0.17 -0.53 3.45 0.00 -1.88 -3.01 119.26 118.70 1kfd h ALA 895 Ca 0.25 -0.83 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 1kfd h ALA 895 Cb -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1kfd h ALA 895 CO -0.05 0.92 -0.06 0.28 0.00 0.00 0.00 179.25 180.33 1kfd h VAL 896 N 0.12 1.26 -0.31 0.00 2.07 -0.99 -1.20 116.25 117.19 1kfd h VAL 896 Ca -0.12 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.11 1kfd h VAL 896 Cb 1.86 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1kfd h VAL 896 CO 0.19 0.42 -0.27 0.00 0.02 0.00 0.00 177.57 177.93 1kfd h ALA 897 N 1.06 0.95 -0.03 1.67 0.00 -0.90 -0.95 119.26 121.06 1kfd h ALA 897 Ca 0.15 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1kfd h ALA 897 Cb 0.59 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1kfd h ALA 897 CO 0.04 0.61 0.01 -0.22 0.00 0.00 0.00 179.25 179.69 1kfd h LYS 898 N 0.54 0.04 -0.31 0.00 3.64 -1.31 -1.68 116.57 117.50 1kfd h LYS 898 Ca 0.07 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1kfd h LYS 898 Cb 0.75 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1kfd h LYS 898 CO 0.06 0.18 -0.13 1.96 -2.27 0.00 0.00 179.45 179.24 1kfd h GLN 899 N -0.11 0.64 -0.17 1.90 1.08 -1.10 -2.16 115.11 115.19 1kfd h GLN 899 Ca 0.01 -0.27 0.05 0.00 -1.45 0.00 0.00 58.65 56.99 1kfd h GLN 899 Cb 0.15 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.50 1kfd h GLN 899 CO -0.00 0.85 -0.23 0.82 -0.95 0.00 0.00 178.83 179.33 1kfd h ILE 900 N 0.40 0.44 -0.11 2.54 1.08 -1.16 -0.58 117.51 120.12 1kfd h ILE 900 Ca 0.07 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.58 1kfd h ILE 900 Cb 0.65 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 34.79 1kfd h ILE 900 CO 0.04 0.00 -0.20 -0.74 -0.69 0.00 0.00 178.15 176.56 1kfd h HIS 901 N -0.27 -0.54 -0.66 1.37 2.76 -1.24 -0.90 115.15 115.68 1kfd h HIS 901 Ca 0.11 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1kfd h HIS 901 Cb 0.44 0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.62 1kfd h HIS 901 CO -0.35 -0.28 0.31 0.37 -1.30 0.00 0.00 177.93 176.68 1kfd h GLN 902 N -0.27 0.94 -0.11 5.26 4.15 -1.15 -1.62 115.11 122.31 1kfd h GLN 902 Ca 0.09 -0.13 -0.21 0.00 0.77 0.00 0.00 58.65 59.18 1kfd h GLN 902 Cb 0.40 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1kfd h GLN 902 CO -0.27 0.73 -0.77 -0.07 -1.93 0.00 0.00 178.83 176.52 1kfd h LEU 903 N 0.93 0.73 -0.39 -2.39 3.38 -0.66 -1.37 115.31 115.54 1kfd h LEU 903 Ca 0.23 -0.49 -0.18 0.00 0.09 0.00 0.00 57.88 57.53 1kfd h LEU 903 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1kfd h LEU 903 CO -0.03 1.26 -0.79 0.24 0.09 0.00 0.00 178.44 179.22 1kfd h MET 904 N 0.41 0.26 0.17 1.13 2.86 -1.07 -2.24 114.93 116.44 1kfd h MET 904 Ca -0.05 -0.24 -0.31 0.00 -2.06 0.00 0.00 59.70 57.04 1kfd h MET 904 Cb 1.38 0.06 0.01 0.00 0.06 0.00 0.00 31.60 33.11 1kfd h MET 904 CO 0.15 0.92 -1.43 0.93 1.06 0.00 0.00 176.91 178.54 1kfd h GLU 905 N 0.16 0.36 0.00 1.72 5.08 -1.27 -3.41 114.58 117.22 1kfd h GLU 905 Ca -0.03 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 1kfd h GLU 905 Cb 1.37 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1kfd h GLU 905 CO 0.12 1.27 -1.67 0.09 -1.00 0.00 0.00 179.01 177.82 1kfd n ASN 906 N -3.57 0.74 -2.18 1.42 3.02 -0.52 -4.54 115.26 109.63 1kfd n ASN 906 Ca -0.14 -0.17 -0.24 0.00 -0.03 0.00 0.00 54.58 53.99 1kfd n ASN 906 Cb 1.06 1.70 0.17 0.00 -0.61 0.00 0.00 39.78 42.10 1kfd n ASN 906 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kfd n THR 908 N -1.13 0.00 -2.77 0.00 -1.04 -1.26 -4.78 114.28 103.30 1kfd n THR 908 Ca 0.59 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 62.19 1kfd n THR 908 Cb 1.56 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 70.03 1kfd n THR 908 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1kfd s ARG 909 N 4.21 4.61 0.00 -2.82 3.00 -1.26 -4.93 118.95 121.76 1kfd s ARG 909 Ca 0.00 1.36 0.22 0.00 0.00 0.00 0.00 55.73 57.31 1kfd s ARG 909 Cb 0.00 -3.41 0.51 0.00 0.00 0.00 0.00 34.95 32.05 1kfd s ARG 909 CO 0.00 0.12 1.44 1.28 0.00 0.00 0.00 175.30 178.14 1kfd n LEU 910 N 3.26 3.11 0.00 2.53 4.77 -1.26 -4.29 117.00 125.12 1kfd n LEU 910 Ca 0.03 -1.38 0.11 0.00 -0.03 0.00 0.00 56.01 54.74 1kfd n LEU 910 Cb 0.50 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 1kfd n LEU 910 CO 0.51 0.69 -0.11 -0.90 -1.33 0.00 0.00 177.39 176.24 1kfd n ASP 911 N 1.25 0.72 -4.82 -1.43 5.75 -1.26 -4.88 116.55 111.87 1kfd n ASP 911 Ca 0.19 -0.62 -0.36 0.00 -0.01 0.00 0.00 54.79 53.99 1kfd n ASP 911 Cb 0.54 1.06 -0.07 0.00 -1.03 0.00 0.00 41.12 41.62 1kfd n ASP 911 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1kfd s VAL 912 N -3.12 5.24 -0.72 2.12 1.01 -1.26 -4.94 120.40 118.72 1kfd s VAL 912 Ca 0.05 0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.87 1kfd s VAL 912 Cb 0.15 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1kfd s VAL 912 CO 0.85 0.60 1.62 -2.16 0.00 0.00 0.00 175.10 176.01 1kfd s PRO 913 N -0.86 2.90 0.02 2.72 0.04 -1.26 -4.99 135.00 133.57 1kfd s PRO 913 Ca 0.14 0.08 -0.04 0.00 0.04 0.00 0.00 61.00 61.22 1kfd s PRO 913 Cb -0.12 -4.44 -0.04 0.00 0.04 0.00 0.00 34.50 29.94 1kfd s PRO 913 CO 0.03 -2.53 0.24 -0.51 0.04 0.00 0.00 177.00 174.27 1kfd s LEU 914 N 7.62 4.36 -0.05 -3.56 1.02 -1.26 -4.85 118.68 121.96 1kfd s LEU 914 Ca 0.54 0.46 -0.02 0.00 0.02 0.00 0.00 54.13 55.13 1kfd s LEU 914 Cb -0.09 -2.74 0.04 0.00 0.02 0.00 0.00 46.19 43.41 1kfd s LEU 914 CO 0.14 0.23 0.09 -0.22 0.02 0.00 0.00 176.35 176.61 1kfd s LEU 915 N -1.98 0.57 -0.27 1.79 2.96 -1.26 -5.00 118.68 115.50 1kfd s LEU 915 Ca 0.29 0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1kfd s LEU 915 Cb -0.13 0.09 0.02 0.00 0.50 0.00 0.00 46.19 46.68 1kfd s LEU 915 CO 0.19 -0.18 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.34 1kfd s VAL 916 N 1.56 3.24 -0.35 1.68 1.01 -1.26 -1.33 120.40 124.94 1kfd s VAL 916 Ca -0.04 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 1kfd s VAL 916 Cb -0.12 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1kfd s VAL 916 CO -0.04 0.15 0.60 -1.61 0.00 0.00 0.00 175.10 174.19 1kfd s GLU 917 N 1.38 3.66 -0.07 2.72 2.02 0.13 -4.90 118.70 123.64 1kfd s GLU 917 Ca 0.01 -0.01 -0.12 0.00 0.02 0.00 0.00 54.97 54.86 1kfd s GLU 917 Cb -0.17 -3.81 -0.05 0.00 0.10 0.00 0.00 34.13 30.20 1kfd s GLU 917 CO -0.02 -0.71 0.31 0.08 0.02 0.00 0.00 175.26 174.94 1kfd s VAL 918 N 2.62 5.22 0.17 2.63 1.01 -1.26 -1.58 120.40 129.21 1kfd s VAL 918 Ca 0.23 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.84 1kfd s VAL 918 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1kfd s VAL 918 CO 0.14 0.55 -0.01 -0.83 0.00 0.00 0.00 175.10 174.95 1kfd s GLY 919 N -0.71 1.23 0.11 4.51 0.00 0.42 -4.94 107.32 107.94 1kfd s GLY 919 Ca 0.20 -1.59 -0.13 0.00 0.00 0.00 0.00 44.72 43.19 1kfd s GLY 919 CO 0.09 -1.55 0.32 -1.35 0.00 0.00 0.00 173.10 170.62 1kfd s SER 920 N -3.18 -0.10 0.00 1.64 1.04 -1.24 0.88 113.70 112.73 1kfd s SER 920 Ca 0.23 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1kfd s SER 920 Cb 0.06 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1kfd s SER 920 CO 0.04 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1kfd n GLY 921 N -0.17 -0.71 0.03 7.32 0.00 0.26 -3.86 105.19 108.05 1kfd n GLY 921 Ca -0.15 -1.04 0.14 0.00 0.00 0.00 0.00 46.02 44.97 1kfd n GLY 921 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1kfd n GLU 922 N -0.22 0.42 -3.98 1.61 0.28 -1.26 -0.17 120.64 117.31 1kfd n GLU 922 Ca 0.00 -0.06 -0.10 0.00 -0.16 0.00 0.00 57.16 56.85 1kfd n GLU 922 Cb 0.00 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.31 1kfd n GLU 922 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1kfd s ASN 923 N -2.62 -0.04 0.21 -1.84 2.20 -1.26 -2.53 114.94 109.06 1kfd s ASN 923 Ca 0.26 -0.91 -0.10 0.00 -0.94 0.00 0.00 52.86 51.16 1kfd s ASN 923 Cb 0.20 0.51 0.17 0.00 -2.00 0.00 0.00 41.25 40.13 1kfd s ASN 923 CO 0.48 -1.01 1.86 -0.25 -2.94 0.00 0.00 177.10 175.24 1kfd h TRP 924 N 2.39 0.84 -0.74 1.54 7.01 -1.00 -2.22 115.95 123.77 1kfd h TRP 924 Ca -0.29 0.02 0.04 0.00 2.11 0.00 0.00 58.89 60.77 1kfd h TRP 924 Cb 1.24 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.98 1kfd h TRP 924 CO 0.39 0.50 0.49 0.22 -2.79 0.00 0.00 178.44 177.24 1kfd h ASP 925 N 0.89 0.75 -0.16 2.65 3.58 -1.70 0.05 116.42 122.47 1kfd h ASP 925 Ca 0.27 -0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.56 1kfd h ASP 925 Cb -0.02 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 1kfd h ASP 925 CO -0.09 0.50 -0.46 1.56 -2.88 0.00 0.00 179.24 177.88 1kfd h GLN 926 N 0.86 0.72 -0.22 0.28 4.20 -1.74 -3.24 115.11 115.97 1kfd h GLN 926 Ca 0.30 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1kfd h GLN 926 Cb 0.12 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1kfd h GLN 926 CO -0.09 1.02 0.07 0.00 -0.67 0.00 0.00 178.83 179.16 1kfd h ALA 927 N 0.91 0.29 0.00 3.87 0.00 -0.93 -3.43 119.26 119.97 1kfd h ALA 927 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1kfd h ALA 927 Cb 1.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1kfd h ALA 927 CO 0.10 -0.09 0.00 1.58 0.00 0.00 0.00 179.25 180.84