#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k78 s GLN 336 N 0.00 3.72 0.19 9.51 -0.21 -1.26 -4.94 119.66 126.67 1k78 s GLN 336 Ca 0.00 0.12 -0.14 0.00 0.02 0.00 0.00 55.36 55.36 1k78 s GLN 336 Cb 0.00 -2.75 0.19 0.00 1.00 0.00 0.00 33.01 31.45 1k78 s GLN 336 CO 0.00 0.39 1.66 1.25 -2.12 0.00 0.00 175.29 176.47 1k78 h LEU 337 N 2.73 -0.40 -1.42 2.90 5.85 -1.99 -0.15 115.31 122.83 1k78 h LEU 337 Ca -0.47 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1k78 h LEU 337 Cb 1.17 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 1k78 h LEU 337 CO 0.70 -0.14 0.40 4.11 -0.34 0.00 0.00 178.44 183.17 1k78 h TRP 338 N 0.04 0.75 -0.41 1.25 5.08 -1.97 -0.98 115.95 119.70 1k78 h TRP 338 Ca 0.26 0.02 -0.13 0.00 1.08 0.00 0.00 58.89 60.12 1k78 h TRP 338 Cb 0.40 -0.25 -0.01 0.00 -3.00 0.00 0.00 29.16 26.30 1k78 h TRP 338 CO -0.40 0.46 -0.25 1.96 -1.28 0.00 0.00 178.44 178.93 1k78 h GLN 339 N 0.80 0.89 -0.64 0.12 4.20 -1.64 -2.46 115.11 116.38 1k78 h GLN 339 Ca 0.23 -0.41 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1k78 h GLN 339 Cb -0.06 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1k78 h GLN 339 CO -0.05 1.06 0.40 0.35 -0.67 0.00 0.00 178.83 179.91 1k78 h PHE 340 N 0.71 0.84 -0.39 2.96 3.57 -0.12 0.51 116.94 125.02 1k78 h PHE 340 Ca 0.09 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1k78 h PHE 340 Cb 0.82 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1k78 h PHE 340 CO 0.06 0.56 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.62 1k78 h LEU 341 N 0.87 0.59 -0.60 0.59 3.38 -1.18 -1.71 115.31 117.25 1k78 h LEU 341 Ca 0.23 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1k78 h LEU 341 Cb -0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1k78 h LEU 341 CO -0.04 0.66 0.01 0.25 0.09 0.00 0.00 178.44 179.41 1k78 h LEU 342 N 0.59 1.03 -0.39 1.67 5.85 -0.80 0.37 115.31 123.62 1k78 h LEU 342 Ca 0.12 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1k78 h LEU 342 Cb 0.39 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1k78 h LEU 342 CO 0.01 1.08 0.15 -0.33 -0.34 0.00 0.00 178.44 179.01 1k78 h GLU 343 N 0.95 0.31 -0.60 1.25 5.08 -0.37 -1.12 114.58 120.08 1k78 h GLU 343 Ca 0.17 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1k78 h GLU 343 Cb 0.54 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1k78 h GLU 343 CO 0.03 0.21 0.06 -0.07 -1.00 0.00 0.00 179.01 178.24 1k78 h LEU 344 N 0.32 0.96 -0.84 1.33 3.38 -0.97 -2.84 115.31 116.65 1k78 h LEU 344 Ca 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1k78 h LEU 344 Cb 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1k78 h LEU 344 CO -0.17 0.98 0.00 -0.07 0.09 0.00 0.00 178.44 179.27 1k78 h LEU 345 N 0.93 0.00 -3.46 1.67 3.38 -0.23 -2.87 115.31 114.73 1k78 h LEU 345 Ca 0.18 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.90 1k78 h LEU 345 Cb 0.46 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.06 1k78 h LEU 345 CO 0.02 0.00 0.01 0.35 0.09 0.00 0.00 178.44 178.90 1k78 n THR 346 N -2.47 2.67 -3.74 0.22 -2.24 -0.49 -4.87 114.28 103.37 1k78 n THR 346 Ca 0.02 -2.72 -0.27 0.00 -2.27 0.00 0.00 64.05 58.81 1k78 n THR 346 Cb 0.27 -0.38 -0.17 0.00 -2.10 0.00 0.00 70.33 67.95 1k78 n THR 346 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k78 s ASP 347 N -2.41 2.83 0.38 3.42 -1.08 -1.08 -5.03 116.67 113.70 1k78 s ASP 347 Ca 0.47 -0.78 0.11 0.00 -0.52 0.00 0.00 52.55 51.83 1k78 s ASP 347 Cb 0.42 -0.58 0.90 0.00 -1.46 0.00 0.00 42.92 42.20 1k78 s ASP 347 CO 0.01 -0.30 1.89 0.11 0.52 0.00 0.00 175.17 177.40 1k78 h LYS 348 N 8.25 0.58 0.00 4.34 1.57 -1.89 -1.66 116.57 127.75 1k78 h LYS 348 Ca -0.16 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1k78 h LYS 348 Cb 1.12 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1k78 h LYS 348 CO 0.33 0.38 0.00 -1.13 -0.57 0.00 0.00 179.45 178.46 1k78 n SER 349 N -4.53 0.00 -0.47 0.86 3.41 -1.26 -2.16 113.62 109.47 1k78 n SER 349 Ca 0.16 0.15 0.09 0.00 -0.26 0.00 0.00 58.87 59.01 1k78 n SER 349 Cb 0.49 -0.30 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 1k78 n SER 349 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k78 n GLN 351 N 0.14 0.13 0.12 0.00 6.02 -0.92 -1.71 117.38 121.16 1k78 n GLN 351 Ca 0.08 0.63 0.13 0.00 -0.01 0.00 0.00 57.00 57.82 1k78 n GLN 351 Cb 0.39 -1.99 0.34 0.00 1.02 0.00 0.00 30.24 30.00 1k78 n GLN 351 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1k78 h SER 352 N 0.00 0.00 0.00 1.08 4.64 -1.83 -3.36 113.55 114.08 1k78 h SER 352 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1k78 h SER 352 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1k78 h SER 352 CO 0.00 0.01 -0.45 2.22 -0.87 0.00 0.00 176.83 177.74 1k78 n PHE 353 N -2.41 0.00 -3.67 4.77 1.16 -0.70 -4.59 117.46 112.03 1k78 n PHE 353 Ca 0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.55 1k78 n PHE 353 Cb 0.45 -0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.23 1k78 n PHE 353 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1k78 s ILE 354 N -1.46 -0.25 0.08 1.97 2.07 -0.94 -1.84 121.20 120.83 1k78 s ILE 354 Ca 0.00 0.08 -0.15 0.00 -1.41 0.00 0.00 60.65 59.17 1k78 s ILE 354 Cb 0.00 -0.75 0.03 0.00 0.13 0.00 0.00 42.46 41.87 1k78 s ILE 354 CO 0.01 0.03 0.36 -0.94 -1.91 0.00 0.00 174.94 172.50 1k78 s SER 355 N 1.87 -0.19 0.48 4.50 1.04 -0.92 -3.97 113.70 116.52 1k78 s SER 355 Ca -0.08 -0.24 -0.22 0.00 0.48 0.00 0.00 55.95 55.90 1k78 s SER 355 Cb -0.09 0.42 -0.07 0.00 0.10 0.00 0.00 66.02 66.38 1k78 s SER 355 CO -0.15 -0.73 1.16 0.26 0.98 0.00 0.00 173.24 174.75 1k78 s TRP 356 N -3.16 2.82 -1.63 5.02 0.52 -1.26 -0.98 118.94 120.27 1k78 s TRP 356 Ca -0.01 1.54 0.26 0.00 0.02 0.00 0.00 56.10 57.91 1k78 s TRP 356 Cb 0.01 -3.36 0.73 0.00 -1.15 0.00 0.00 33.47 29.70 1k78 s TRP 356 CO -0.07 -1.53 1.55 0.25 0.02 0.00 0.00 176.95 177.18 1k78 n THR 357 N -0.69 0.00 0.00 2.01 -2.24 -0.44 -4.83 114.28 108.09 1k78 n THR 357 Ca 0.08 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1k78 n THR 357 Cb 0.49 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1k78 n THR 357 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k78 n GLY 358 N 1.36 3.23 3.47 3.38 0.00 -1.26 -4.99 105.19 110.38 1k78 n GLY 358 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1k78 n GLY 358 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k78 s ASP 359 N -0.50 6.25 1.31 1.61 3.68 -1.26 -4.93 116.67 122.83 1k78 s ASP 359 Ca 0.00 -1.11 0.00 0.00 2.13 0.00 0.00 52.55 53.57 1k78 s ASP 359 Cb 0.00 -2.44 0.00 0.00 -1.45 0.00 0.00 42.92 39.03 1k78 s ASP 359 CO 0.00 -1.44 0.00 0.61 0.13 0.00 0.00 175.17 174.47 1k78 n GLY 360 N 5.44 3.32 2.12 2.66 0.00 -1.26 -1.30 105.19 116.17 1k78 n GLY 360 Ca 0.03 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1k78 n GLY 360 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k78 n TRP 361 N 14.00 2.87 -2.92 1.61 7.02 -1.26 -4.86 117.44 133.90 1k78 n TRP 361 Ca 0.00 -1.83 -0.40 0.00 -1.02 0.00 0.00 57.50 54.25 1k78 n TRP 361 Cb 0.00 -0.91 -0.06 0.00 -2.42 0.00 0.00 31.31 27.93 1k78 n TRP 361 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1k78 s GLU 362 N -3.30 4.64 0.15 -0.99 2.12 -0.42 -1.87 118.70 119.02 1k78 s GLU 362 Ca 0.56 1.24 0.01 0.00 0.36 0.00 0.00 54.97 57.14 1k78 s GLU 362 Cb 0.47 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 31.55 1k78 s GLU 362 CO 0.10 0.55 -0.01 -0.59 -0.54 0.00 0.00 175.26 174.77 1k78 s PHE 363 N -1.11 1.10 -0.04 5.30 -0.71 0.12 -1.33 117.98 121.31 1k78 s PHE 363 Ca 0.37 -1.02 0.03 0.00 -1.04 0.00 0.00 56.93 55.27 1k78 s PHE 363 Cb -0.24 -0.63 0.00 0.00 -1.21 0.00 0.00 43.02 40.95 1k78 s PHE 363 CO 0.28 -0.23 -0.12 0.21 -1.34 0.00 0.00 175.22 174.02 1k78 s LYS 364 N -3.91 1.33 -1.20 1.99 2.20 -0.15 -1.31 119.74 118.68 1k78 s LYS 364 Ca 0.21 -0.40 -0.14 0.00 -0.36 0.00 0.00 55.97 55.28 1k78 s LYS 364 Cb 0.06 -1.18 0.17 0.00 -1.51 0.00 0.00 37.83 35.37 1k78 s LYS 364 CO 0.02 0.13 1.43 -0.51 -0.36 0.00 0.00 175.35 176.05 1k78 s LEU 365 N 0.27 5.05 0.31 5.43 1.43 0.29 -2.17 118.68 129.30 1k78 s LEU 365 Ca -0.06 -2.98 0.07 0.00 -1.03 0.00 0.00 54.13 50.13 1k78 s LEU 365 Cb -0.11 -2.40 0.79 0.00 0.03 0.00 0.00 46.19 44.50 1k78 s LEU 365 CO 0.02 -0.75 1.76 0.28 0.23 0.00 0.00 176.35 177.89 1k78 h SER 366 N 7.18 0.75 -3.33 2.29 0.02 -1.67 -3.11 113.55 115.68 1k78 h SER 366 Ca 0.31 0.11 -0.61 0.00 -0.84 0.00 0.00 61.79 60.76 1k78 h SER 366 Cb 0.88 -0.02 -0.40 0.00 0.14 0.00 0.00 62.40 63.00 1k78 h SER 366 CO 1.24 0.22 -0.75 -0.62 -1.14 0.00 0.00 176.83 175.79 1k78 s ASP 367 N -5.34 3.54 0.48 3.07 -1.08 -0.77 -4.99 116.67 111.57 1k78 s ASP 367 Ca -0.11 -2.80 0.15 0.00 -0.52 0.00 0.00 52.55 49.27 1k78 s ASP 367 Cb 0.26 -1.03 1.14 0.00 -1.46 0.00 0.00 42.92 41.83 1k78 s ASP 367 CO 0.80 -0.24 2.06 1.55 0.52 0.00 0.00 175.17 179.86 1k78 h PRO 368 N 6.48 0.22 -0.03 4.34 0.13 -1.80 -2.15 132.00 139.19 1k78 h PRO 368 Ca 0.04 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.97 1k78 h PRO 368 Cb 0.91 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 1k78 h PRO 368 CO 0.49 0.15 -0.78 -0.44 -0.23 0.00 0.00 178.00 177.19 1k78 h ASP 369 N 0.23 0.33 -0.41 1.44 3.32 -1.94 -1.13 116.42 118.26 1k78 h ASP 369 Ca 0.15 -0.23 -0.15 0.00 0.02 0.00 0.00 57.03 56.82 1k78 h ASP 369 Cb 0.31 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1k78 h ASP 369 CO -0.03 0.98 -0.33 -0.08 -1.72 0.00 0.00 179.24 178.07 1k78 h GLU 370 N 0.17 0.94 -0.62 3.56 4.57 -1.80 -1.47 114.58 119.93 1k78 h GLU 370 Ca -0.03 -0.47 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1k78 h GLU 370 Cb 1.36 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.92 1k78 h GLU 370 CO 0.12 1.13 0.39 0.28 -1.18 0.00 0.00 179.01 179.75 1k78 h VAL 371 N 0.76 1.17 -0.75 0.32 2.07 -1.27 -1.71 116.25 116.85 1k78 h VAL 371 Ca 0.07 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1k78 h VAL 371 Cb 0.92 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1k78 h VAL 371 CO 0.09 0.17 0.23 0.00 0.02 0.00 0.00 177.57 178.07 1k78 h ALA 372 N 1.20 0.98 -0.41 1.67 0.00 -1.04 -2.07 119.26 119.60 1k78 h ALA 372 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k78 h ALA 372 Cb -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1k78 h ALA 372 CO -0.04 0.67 0.27 -0.09 0.00 0.00 0.00 179.25 180.06 1k78 h ARG 373 N 1.12 0.54 -0.38 0.00 2.43 -0.79 0.37 114.38 117.67 1k78 h ARG 373 Ca 0.24 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1k78 h ARG 373 Cb 0.32 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1k78 h ARG 373 CO -0.01 0.36 -0.02 0.00 -1.51 0.00 0.00 179.97 178.79 1k78 h ARG 374 N 0.55 0.62 -0.26 0.20 3.08 -1.11 -0.37 114.38 117.08 1k78 h ARG 374 Ca 0.15 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1k78 h ARG 374 Cb -0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1k78 h ARG 374 CO -0.03 0.66 -0.06 2.35 -1.07 0.00 0.00 179.97 181.81 1k78 h TRP 375 N 0.59 0.57 -0.97 3.04 -0.00 -0.86 0.22 115.95 118.54 1k78 h TRP 375 Ca 0.12 -0.12 0.06 0.00 -0.00 0.00 0.00 58.89 58.94 1k78 h TRP 375 Cb 0.41 -0.14 -0.06 0.00 -0.00 0.00 0.00 29.16 29.36 1k78 h TRP 375 CO 0.02 0.72 0.63 0.78 -0.00 0.00 0.00 178.44 180.59 1k78 h GLY 376 N 0.26 1.44 1.05 2.65 0.00 -0.44 -1.72 103.07 106.31 1k78 h GLY 376 Ca 0.07 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 1k78 h GLY 376 CO 0.03 0.35 -0.32 1.70 0.00 0.00 0.00 176.54 178.29 1k78 h LYS 377 N 1.15 0.83 -0.57 4.80 3.64 -0.64 0.16 116.57 125.93 1k78 h LYS 377 Ca 0.41 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1k78 h LYS 377 Cb 0.14 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1k78 h LYS 377 CO -0.15 1.06 0.25 -0.09 -2.27 0.00 0.00 179.45 178.25 1k78 h ARG 378 N 0.62 0.82 -0.08 1.90 9.65 -0.31 -2.81 114.38 124.16 1k78 h ARG 378 Ca 0.06 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1k78 h ARG 378 Cb 0.90 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1k78 h ARG 378 CO 0.08 0.66 0.00 1.63 2.80 0.00 0.00 179.97 185.14 1k78 n LYS 379 N -4.34 2.14 -3.20 0.20 4.76 -0.71 -4.97 118.16 112.04 1k78 n LYS 379 Ca 0.05 -1.66 -0.15 0.00 -2.87 0.00 0.00 58.31 53.67 1k78 n LYS 379 Cb 0.15 -1.47 0.07 0.00 -1.84 0.00 0.00 35.03 31.94 1k78 n LYS 379 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1k78 n ASN 380 N 0.99 -3.06 -3.84 4.39 4.05 -0.69 -4.98 115.26 112.11 1k78 n ASN 380 Ca 0.16 -0.47 -0.29 0.00 0.45 0.00 0.00 54.58 54.43 1k78 n ASN 380 Cb 0.52 -4.14 -0.12 0.00 1.23 0.00 0.00 39.78 37.26 1k78 n ASN 380 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1k78 s LYS 381 N -5.37 2.08 0.55 1.20 -0.14 0.49 -4.98 119.74 113.57 1k78 s LYS 381 Ca 0.14 -2.93 0.38 0.00 -1.36 0.00 0.00 55.97 52.20 1k78 s LYS 381 Cb -0.06 -3.08 1.57 0.00 -1.68 0.00 0.00 37.83 34.58 1k78 s LYS 381 CO 0.58 -1.25 1.78 -1.35 -0.76 0.00 0.00 175.35 174.35 1k78 h PRO 382 N 5.80 0.00 -0.42 -1.68 0.11 -1.94 -0.73 132.00 133.13 1k78 h PRO 382 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1k78 h PRO 382 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1k78 h PRO 382 CO 0.65 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.07 1k78 n LYS 383 N -4.14 2.11 -1.88 1.05 4.76 -1.26 -4.95 118.16 113.86 1k78 n LYS 383 Ca 0.27 -1.72 -0.38 0.00 -2.87 0.00 0.00 58.31 53.61 1k78 n LYS 383 Cb 1.33 -1.40 0.03 0.00 -1.84 0.00 0.00 35.03 33.15 1k78 n LYS 383 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1k78 s MET 384 N -1.44 3.38 0.34 1.97 1.75 -0.28 -5.00 119.30 120.01 1k78 s MET 384 Ca 0.34 2.19 -0.08 0.00 -1.25 0.00 0.00 55.69 56.89 1k78 s MET 384 Cb 0.18 -2.38 0.02 0.00 2.84 0.00 0.00 34.83 35.49 1k78 s MET 384 CO 0.24 -0.99 0.56 0.54 -0.65 0.00 0.00 175.02 174.73 1k78 s ASN 385 N -0.93 0.52 0.45 1.11 2.20 -1.26 -4.78 114.94 112.25 1k78 s ASN 385 Ca 0.68 -1.31 0.14 0.00 -0.94 0.00 0.00 52.86 51.43 1k78 s ASN 385 Cb -0.39 0.71 1.00 0.00 -2.00 0.00 0.00 41.25 40.56 1k78 s ASN 385 CO 0.47 -1.39 2.00 0.22 -2.94 0.00 0.00 177.10 175.46 1k78 h TYR 386 N 2.10 0.03 -0.28 1.54 3.20 -1.91 -1.44 116.97 120.21 1k78 h TYR 386 Ca -0.29 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.56 1k78 h TYR 386 Cb 1.24 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1k78 h TYR 386 CO 1.30 0.19 0.11 0.93 -1.64 0.00 0.00 178.16 179.04 1k78 h GLU 387 N 0.03 0.43 -0.07 1.82 4.39 -1.98 -0.86 114.58 118.35 1k78 h GLU 387 Ca 0.01 -0.08 -0.22 0.00 0.34 0.00 0.00 59.36 59.40 1k78 h GLU 387 Cb 0.30 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1k78 h GLU 387 CO 0.02 0.46 -0.86 0.87 -1.16 0.00 0.00 179.01 178.35 1k78 h LYS 388 N 0.31 0.57 -0.37 2.33 1.57 -1.89 -2.29 116.57 116.80 1k78 h LYS 388 Ca 0.09 -0.53 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1k78 h LYS 388 Cb 0.20 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1k78 h LYS 388 CO -0.01 1.15 0.22 1.25 -0.57 0.00 0.00 179.45 181.49 1k78 h LEU 389 N 0.36 0.45 -1.03 2.94 6.46 -1.24 -0.21 115.31 123.03 1k78 h LEU 389 Ca -0.07 -0.06 0.08 0.00 -0.12 0.00 0.00 57.88 57.71 1k78 h LEU 389 Cb 1.48 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 41.22 1k78 h LEU 389 CO 0.16 0.38 0.64 0.28 -0.62 0.00 0.00 178.44 179.28 1k78 h SER 390 N 0.48 1.00 0.09 1.25 0.02 -1.12 0.86 113.55 116.13 1k78 h SER 390 Ca 0.13 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 1k78 h SER 390 Cb 0.02 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1k78 h SER 390 CO -0.02 0.61 -0.34 -0.09 -1.14 0.00 0.00 176.83 175.85 1k78 h ARG 391 N 1.11 0.36 -0.59 3.45 9.65 -0.80 -1.79 114.38 125.78 1k78 h ARG 391 Ca 0.45 -0.15 -0.06 0.00 -1.10 0.00 0.00 59.98 59.12 1k78 h ARG 391 Cb 0.26 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 1k78 h ARG 391 CO -0.19 0.66 0.14 0.78 2.80 0.00 0.00 179.97 184.15 1k78 h GLY 392 N 1.10 0.98 1.14 2.80 0.00 0.91 -1.81 103.07 108.19 1k78 h GLY 392 Ca 0.04 -0.58 -0.15 0.00 0.00 0.00 0.00 47.33 46.63 1k78 h GLY 392 CO 0.06 0.55 -0.35 1.41 0.00 0.00 0.00 176.54 178.20 1k78 h LEU 393 N 0.87 1.00 -1.88 3.11 3.38 -0.75 -2.89 115.31 118.16 1k78 h LEU 393 Ca 0.19 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1k78 h LEU 393 Cb 0.32 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1k78 h LEU 393 CO 0.00 1.24 -0.03 0.03 0.09 0.00 0.00 178.44 179.77 1k78 h ARG 394 N 0.78 0.04 0.00 1.13 3.08 -0.87 -0.42 114.38 118.12 1k78 h ARG 394 Ca 0.07 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1k78 h ARG 394 Cb 0.94 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 1k78 h ARG 394 CO 0.09 0.07 -0.16 -0.92 -1.07 0.00 0.00 179.97 177.98 1k78 h TYR 395 N 0.04 0.00 0.00 3.04 5.03 -1.12 -2.58 116.97 121.38 1k78 h TYR 395 Ca 0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1k78 h TYR 395 Cb 0.08 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.36 1k78 h TYR 395 CO 0.00 0.16 -0.17 1.88 -1.32 0.00 0.00 178.16 178.71 1k78 h TYR 396 N 0.00 0.00 -0.57 -3.82 0.05 -1.06 -3.39 116.97 108.18 1k78 h TYR 396 Ca -0.00 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.88 1k78 h TYR 396 Cb 0.38 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.01 1k78 h TYR 396 CO 0.00 0.00 -0.33 1.88 -1.05 0.00 0.00 178.16 178.66 1k78 h TYR 397 N 0.00 -0.91 -0.26 4.88 0.05 -1.45 -1.72 116.97 117.56 1k78 h TYR 397 Ca 0.00 0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1k78 h TYR 397 Cb 0.89 0.48 0.00 0.00 1.01 0.00 0.00 36.73 39.11 1k78 h TYR 397 CO 0.00 -0.38 0.00 -0.40 -1.05 0.00 0.00 178.16 176.33 1k78 n ASP 398 N -5.43 1.87 -0.77 3.88 5.68 -1.26 -3.11 116.55 117.41 1k78 n ASP 398 Ca 0.04 -1.83 0.12 0.00 -0.50 0.00 0.00 54.79 52.62 1k78 n ASP 398 Cb 0.35 -0.17 0.15 0.00 -1.14 0.00 0.00 41.12 40.31 1k78 n ASP 398 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1k78 n LYS 399 N 0.48 1.95 -3.84 0.11 4.76 -0.67 -4.96 118.16 116.00 1k78 n LYS 399 Ca 0.15 -1.55 -0.30 0.00 -2.87 0.00 0.00 58.31 53.73 1k78 n LYS 399 Cb 0.34 -1.47 0.01 0.00 -1.84 0.00 0.00 35.03 32.07 1k78 n LYS 399 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1k78 n ASN 400 N 0.83 -3.08 -0.02 4.39 4.13 -1.09 -4.88 115.26 115.55 1k78 n ASN 400 Ca 0.14 -1.04 -0.03 0.00 1.68 0.00 0.00 54.58 55.32 1k78 n ASN 400 Cb 0.53 -3.07 -0.01 0.00 -1.54 0.00 0.00 39.78 35.69 1k78 n ASN 400 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1k78 n ILE 401 N -4.37 0.18 -3.82 2.41 5.41 -1.18 -3.79 119.36 114.20 1k78 n ILE 401 Ca -0.19 -0.06 -0.12 0.00 1.00 0.00 0.00 62.75 63.38 1k78 n ILE 401 Cb 0.63 -1.14 -0.12 0.00 -0.71 0.00 0.00 39.64 38.30 1k78 n ILE 401 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1k78 s ILE 402 N -2.06 0.01 0.16 1.39 1.01 -1.24 -1.08 121.20 119.39 1k78 s ILE 402 Ca -0.05 -0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.58 1k78 s ILE 402 Cb 0.01 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 1k78 s ILE 402 CO 0.07 -0.07 -0.20 -1.00 0.00 0.00 0.00 174.94 173.74 1k78 s HIS 403 N -0.16 1.93 -0.18 3.97 3.76 -0.15 -3.31 115.29 121.15 1k78 s HIS 403 Ca -0.03 -0.44 -0.08 0.00 -0.15 0.00 0.00 55.06 54.37 1k78 s HIS 403 Cb -0.02 -0.97 -0.04 0.00 1.11 0.00 0.00 32.58 32.65 1k78 s HIS 403 CO 0.00 0.35 0.08 0.21 -0.85 0.00 0.00 174.74 174.53 1k78 s LYS 404 N -2.64 3.95 -0.04 1.40 2.20 -1.26 -0.23 119.74 123.12 1k78 s LYS 404 Ca 0.16 -0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.15 1k78 s LYS 404 Cb -0.07 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1k78 s LYS 404 CO 0.07 0.32 1.24 0.99 -0.36 0.00 0.00 175.35 177.61 1k78 s THR 405 N 0.24 4.14 0.56 3.43 2.01 0.12 -4.96 115.64 121.18 1k78 s THR 405 Ca 0.05 1.49 -0.17 0.00 0.31 0.00 0.00 61.69 63.37 1k78 s THR 405 Cb -0.12 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 1k78 s THR 405 CO -0.00 0.01 1.04 0.00 -0.69 0.00 0.00 174.62 174.98 1k78 s ALA 406 N 2.17 2.81 0.00 7.40 0.00 -1.26 -3.81 121.76 129.07 1k78 s ALA 406 Ca 0.57 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1k78 s ALA 406 Cb -0.26 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1k78 s ALA 406 CO 0.23 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1k78 n GLY 407 N -0.90 1.84 3.19 0.00 0.00 -1.26 -5.00 105.19 103.06 1k78 n GLY 407 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1k78 n GLY 407 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k78 s LYS 408 N -0.13 0.95 0.02 1.61 1.02 -1.25 -5.16 119.74 116.80 1k78 s LYS 408 Ca 0.00 -1.44 0.04 0.00 0.02 0.00 0.00 55.97 54.59 1k78 s LYS 408 Cb 0.00 -0.07 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 1k78 s LYS 408 CO 0.00 -0.14 -0.06 1.03 -0.92 0.00 0.00 175.35 175.26 1k78 s ARG 409 N -3.93 2.53 -0.28 1.68 0.52 -1.26 -4.57 118.95 113.64 1k78 s ARG 409 Ca 0.20 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1k78 s ARG 409 Cb 0.06 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 33.04 1k78 s ARG 409 CO 0.00 0.59 0.00 0.66 0.02 0.00 0.00 175.30 176.57 1k78 n TYR 410 N 1.41 0.00 -3.86 -0.53 0.53 -1.26 -4.88 117.16 108.57 1k78 n TYR 410 Ca -0.15 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.38 1k78 n TYR 410 Cb 0.52 -1.19 -0.13 0.00 -1.03 0.00 0.00 39.34 37.51 1k78 n TYR 410 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 1k78 s VAL 411 N -1.76 3.72 0.35 -0.72 1.01 -1.26 -0.55 120.40 121.20 1k78 s VAL 411 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1k78 s VAL 411 Cb 0.00 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1k78 s VAL 411 CO 0.00 0.39 0.07 -0.31 0.00 0.00 0.00 175.10 175.26 1k78 s TYR 412 N 1.51 1.90 -0.07 5.22 1.51 -0.43 -0.70 117.35 126.29 1k78 s TYR 412 Ca 0.06 -1.04 -0.03 0.00 -1.01 0.00 0.00 57.07 55.04 1k78 s TYR 412 Cb -0.15 -1.25 0.04 0.00 -0.11 0.00 0.00 41.96 40.49 1k78 s TYR 412 CO -0.01 -0.07 0.15 0.50 -1.11 0.00 0.00 175.55 175.01 1k78 s ARG 413 N -3.85 0.09 0.15 -0.62 3.52 0.68 0.13 118.95 119.04 1k78 s ARG 413 Ca 0.32 0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 56.01 1k78 s ARG 413 Cb 0.07 -0.18 -0.08 0.00 -1.56 0.00 0.00 34.95 33.20 1k78 s ARG 413 CO 0.15 -0.17 1.26 -0.06 -0.81 0.00 0.00 175.30 175.66 1k78 s PHE 414 N 1.23 3.35 -0.31 5.12 0.08 -0.78 -0.98 117.98 125.68 1k78 s PHE 414 Ca -0.09 1.26 0.03 0.00 0.12 0.00 0.00 56.93 58.26 1k78 s PHE 414 Cb -0.12 -3.52 0.01 0.00 -0.57 0.00 0.00 43.02 38.83 1k78 s PHE 414 CO -0.06 -1.60 0.48 1.33 -0.10 0.00 0.00 175.22 175.27 1k78 n VAL 415 N 3.09 0.00 -1.66 -0.44 0.24 -0.24 -4.75 118.33 114.57 1k78 n VAL 415 Ca 0.07 -0.49 -0.30 0.00 -2.04 0.00 0.00 64.34 61.59 1k78 n VAL 415 Cb 0.44 1.05 0.09 0.00 -1.47 0.00 0.00 33.84 33.94 1k78 n VAL 415 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k78 s ASP 417 N -4.09 6.57 0.32 0.00 -1.08 -1.26 -4.79 116.67 112.33 1k78 s ASP 417 Ca 0.61 -1.75 0.10 0.00 -0.52 0.00 0.00 52.55 50.98 1k78 s ASP 417 Cb -0.13 -2.48 0.52 0.00 -1.46 0.00 0.00 42.92 39.37 1k78 s ASP 417 CO 0.53 -1.28 1.72 -0.07 0.52 0.00 0.00 175.17 176.59 1k78 h LEU 418 N 11.59 0.11 -0.34 -1.34 4.07 -1.94 -3.12 115.31 124.34 1k78 h LEU 418 Ca 0.18 -0.05 0.06 0.00 0.08 0.00 0.00 57.88 58.16 1k78 h LEU 418 Cb 1.02 -0.03 -0.08 0.00 1.08 0.00 0.00 40.66 42.64 1k78 h LEU 418 CO 1.27 0.54 -0.41 1.56 -1.08 0.00 0.00 178.44 180.32 1k78 h GLN 419 N 0.08 -0.35 -0.86 1.13 4.20 -1.87 0.50 115.11 117.95 1k78 h GLN 419 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1k78 h GLN 419 Cb 0.83 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 1k78 h GLN 419 CO 0.06 -0.23 0.53 0.77 -0.67 0.00 0.00 178.83 179.30 1k78 h SER 420 N -0.36 1.01 0.06 1.46 0.02 -1.84 0.55 113.55 114.46 1k78 h SER 420 Ca 0.13 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1k78 h SER 420 Cb 0.59 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1k78 h SER 420 CO -0.52 0.76 -0.03 0.25 -1.14 0.00 0.00 176.83 176.15 1k78 h LEU 421 N 1.17 -0.07 0.07 5.07 5.85 -1.18 -3.35 115.31 122.87 1k78 h LEU 421 Ca 0.31 -0.53 -0.24 0.00 0.84 0.00 0.00 57.88 58.26 1k78 h LEU 421 Cb -0.08 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1k78 h LEU 421 CO -0.06 0.54 -1.13 -0.07 -0.34 0.00 0.00 178.44 177.38 1k78 h LEU 422 N -0.72 0.22 0.00 2.25 3.38 -0.03 -3.47 115.31 116.92 1k78 h LEU 422 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1k78 h LEU 422 Cb 0.60 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1k78 h LEU 422 CO 0.01 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.34 1k78 n GLY 423 N 1.45 0.74 3.58 0.83 0.00 0.19 -5.04 105.19 106.94 1k78 n GLY 423 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1k78 n GLY 423 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k78 s TYR 424 N -2.46 2.55 0.22 1.61 2.02 -1.22 -5.02 117.35 115.05 1k78 s TYR 424 Ca 0.00 -0.26 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 1k78 s TYR 424 Cb 0.00 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 1k78 s TYR 424 CO 0.00 0.66 0.41 0.95 -1.57 0.00 0.00 175.55 176.00 1k78 s THR 425 N -2.38 5.19 0.05 -0.71 -4.23 -1.26 -4.21 115.64 108.09 1k78 s THR 425 Ca 0.31 -0.41 -0.19 0.00 -1.18 0.00 0.00 61.69 60.23 1k78 s THR 425 Cb -0.06 -3.76 -0.08 0.00 1.34 0.00 0.00 72.50 69.94 1k78 s THR 425 CO 0.18 -0.23 1.29 -0.65 -0.54 0.00 0.00 174.62 174.67 1k78 h PRO 426 N 1.79 -0.40 -1.05 3.99 0.11 -2.00 0.39 132.00 134.84 1k78 h PRO 426 Ca -0.48 0.03 0.27 0.00 0.11 0.00 0.00 66.00 65.93 1k78 h PRO 426 Cb 1.20 0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.29 1k78 h PRO 426 CO 0.67 -0.26 0.65 0.93 -0.21 0.00 0.00 178.00 179.77 1k78 h GLU 427 N -0.41 0.42 -0.62 1.05 3.07 -1.91 0.06 114.58 116.24 1k78 h GLU 427 Ca -0.01 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 1k78 h GLU 427 Cb 0.41 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1k78 h GLU 427 CO -0.15 0.28 0.09 1.49 -1.40 0.00 0.00 179.01 179.32 1k78 h GLU 428 N 0.43 1.03 0.07 2.33 4.81 -1.79 -2.06 114.58 119.40 1k78 h GLU 428 Ca 0.63 -0.28 -0.28 0.00 -0.13 0.00 0.00 59.36 59.30 1k78 h GLU 428 Cb 1.49 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 30.78 1k78 h GLU 428 CO -0.38 0.97 -1.15 1.25 -0.73 0.00 0.00 179.01 178.97 1k78 h LEU 429 N 0.94 0.81 -1.50 1.64 6.46 0.91 -3.01 115.31 121.56 1k78 h LEU 429 Ca 0.19 -0.71 0.00 0.00 -0.12 0.00 0.00 57.88 57.24 1k78 h LEU 429 Cb 0.44 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1k78 h LEU 429 CO 0.01 1.52 0.31 0.45 -0.62 0.00 0.00 178.44 180.11 1k78 h HIS 430 N 0.29 0.61 -0.42 1.25 3.86 -1.14 -1.54 115.15 118.07 1k78 h HIS 430 Ca -0.15 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 58.94 1k78 h HIS 430 Cb 1.81 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 30.06 1k78 h HIS 430 CO 0.10 0.40 -0.27 0.00 0.86 0.00 0.00 177.93 179.02 1k78 h ALA 431 N 1.68 0.74 0.00 2.45 0.00 -1.36 0.20 119.26 122.98 1k78 h ALA 431 Ca 0.18 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1k78 h ALA 431 Cb -0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1k78 h ALA 431 CO -0.04 0.66 -0.12 0.52 0.00 0.00 0.00 179.25 180.27 1k78 h MET 432 N 0.75 0.00 -0.40 0.00 2.07 -1.16 -2.68 114.93 113.51 1k78 h MET 432 Ca 0.09 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 1k78 h MET 432 Cb 0.82 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.55 1k78 h MET 432 CO 0.07 0.12 0.00 1.28 1.07 0.00 0.00 176.91 179.45 1k78 n LEU 433 N -3.42 3.13 -3.61 1.22 4.77 -0.88 -4.99 117.00 113.21 1k78 n LEU 433 Ca -0.01 -1.79 -0.25 0.00 -0.03 0.00 0.00 56.01 53.93 1k78 n LEU 433 Cb 0.30 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1k78 n LEU 433 CO 0.30 0.75 -0.06 -0.67 -1.33 0.00 0.00 177.39 176.38 1k78 n ASP 434 N 0.95 -4.10 -4.57 -1.43 2.03 -0.35 -4.92 116.55 104.17 1k78 n ASP 434 Ca 0.15 -0.89 -0.43 0.00 0.52 0.00 0.00 54.79 54.14 1k78 n ASP 434 Cb 0.48 -3.96 -0.04 0.00 -0.72 0.00 0.00 41.12 36.88 1k78 n ASP 434 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1k78 s VAL 435 N -3.53 4.50 0.00 5.18 1.01 0.56 -5.03 120.40 123.09 1k78 s VAL 435 Ca 0.31 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1k78 s VAL 435 Cb -0.09 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1k78 s VAL 435 CO 0.82 -0.78 0.00 2.29 0.00 0.00 0.00 175.10 177.43