#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4r h PRO -3 N 0.00 0.00 0.00 1.61 0.13 -2.08 -1.34 132.00 130.32 3a4r h PRO -3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3a4r h PRO -3 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3a4r h PRO -3 CO 0.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 3a4r n LEU -2 N -3.00 0.72 0.00 1.56 4.77 -1.26 -5.03 117.00 114.75 3a4r n LEU -2 Ca -0.01 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3a4r n LEU -2 Cb 0.17 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3a4r n LEU -2 CO 0.22 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3a4r n GLY -1 N 1.10 0.03 0.27 -0.72 0.00 -0.51 -4.67 105.19 100.69 3a4r n GLY -1 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3a4r n GLY -1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a4r n SER 0 N -1.65 0.00 -4.63 1.61 3.41 -1.26 -4.77 113.62 106.34 3a4r n SER 0 Ca 0.00 -1.37 -0.43 0.00 -0.26 0.00 0.00 58.87 56.81 3a4r n SER 0 Cb 0.00 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 3a4r n SER 0 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3a4r s GLN 339 N 0.00 3.95 0.36 4.33 -0.21 -1.26 -4.90 119.66 121.92 3a4r s GLN 339 Ca 0.00 0.97 -0.28 0.00 0.02 0.00 0.00 55.36 56.07 3a4r s GLN 339 Cb 0.00 -3.81 -0.12 0.00 1.00 0.00 0.00 33.01 30.09 3a4r s GLN 339 CO 0.00 -1.07 1.39 0.39 -2.12 0.00 0.00 175.29 173.88 3a4r n GLU 340 N 7.21 2.41 -3.58 2.91 -0.58 -1.26 -4.31 120.64 123.43 3a4r n GLU 340 Ca 0.13 0.84 -0.39 0.00 -0.42 0.00 0.00 57.16 57.32 3a4r n GLU 340 Cb 0.47 -2.50 -0.11 0.00 -0.57 0.00 0.00 31.44 28.73 3a4r n GLU 340 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3a4r s LEU 341 N -1.57 4.25 -0.26 -4.62 2.01 -0.08 -4.79 118.68 113.62 3a4r s LEU 341 Ca 0.54 -0.31 -0.20 0.00 0.01 0.00 0.00 54.13 54.18 3a4r s LEU 341 Cb -0.52 -2.10 -0.02 0.00 0.01 0.00 0.00 46.19 43.56 3a4r s LEU 341 CO 0.63 -0.16 0.62 -0.13 1.01 0.00 0.00 176.35 178.31 3a4r s ARG 342 N 1.71 4.08 0.12 1.70 0.52 -1.26 -0.57 118.95 125.25 3a4r s ARG 342 Ca 0.06 0.50 0.07 0.00 -0.52 0.00 0.00 55.73 55.84 3a4r s ARG 342 Cb -0.17 -3.66 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 3a4r s ARG 342 CO 0.10 -0.42 -0.17 -0.51 0.02 0.00 0.00 175.30 174.31 3a4r s LEU 343 N 2.49 2.36 -0.01 2.53 1.43 0.05 -0.54 118.68 127.00 3a4r s LEU 343 Ca 0.25 -0.75 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 3a4r s LEU 343 Cb -0.15 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 3a4r s LEU 343 CO 0.09 -0.05 -0.19 -0.13 0.23 0.00 0.00 176.35 176.30 3a4r s ARG 344 N -2.30 2.23 -0.12 1.70 0.52 -0.89 -1.32 118.95 118.76 3a4r s ARG 344 Ca 0.08 -0.87 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 3a4r s ARG 344 Cb -0.08 -2.22 0.01 0.00 0.52 0.00 0.00 34.95 33.19 3a4r s ARG 344 CO 0.04 0.57 -0.17 0.08 0.02 0.00 0.00 175.30 175.84 3a4r s VAL 345 N -0.78 1.68 -0.10 3.52 1.01 0.56 -0.92 120.40 125.37 3a4r s VAL 345 Ca 0.12 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3a4r s VAL 345 Cb -0.10 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.77 3a4r s VAL 345 CO 0.02 0.48 -0.14 -1.58 0.00 0.00 0.00 175.10 173.88 3a4r s GLN 346 N 1.02 2.02 0.00 2.72 2.00 -0.31 -1.15 119.66 125.97 3a4r s GLN 346 Ca -0.05 -0.49 0.00 0.00 -2.00 0.00 0.00 55.36 52.82 3a4r s GLN 346 Cb -0.15 -1.74 0.00 0.00 0.80 0.00 0.00 33.01 31.92 3a4r s GLN 346 CO -0.03 -0.06 0.00 0.41 -0.50 0.00 0.00 175.29 175.11 3a4r n GLY 347 N 4.19 1.89 0.23 2.59 0.00 -0.18 -0.81 105.19 113.10 3a4r n GLY 347 Ca -0.19 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 43.84 3a4r n GLY 347 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3a4r h LYS 348 N 0.00 0.00 -5.99 1.61 2.10 -1.82 -3.43 116.57 109.04 3a4r h LYS 348 Ca 0.00 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.04 3a4r h LYS 348 Cb 0.00 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.28 3a4r h LYS 348 CO 0.00 0.19 -0.28 -1.21 -2.00 0.00 0.00 179.45 176.15 3a4r s GLU 349 N -3.63 3.75 0.30 0.07 2.02 -1.26 -4.98 118.70 114.98 3a4r s GLU 349 Ca 0.01 0.19 -0.01 0.00 0.02 0.00 0.00 54.97 55.18 3a4r s GLU 349 Cb 0.10 -3.11 0.47 0.00 0.10 0.00 0.00 34.13 31.68 3a4r s GLU 349 CO 0.63 0.65 1.91 0.87 0.02 0.00 0.00 175.26 179.34 3a4r h LYS 350 N 4.27 0.92 0.00 1.61 6.56 -2.03 0.33 116.57 128.22 3a4r h LYS 350 Ca -0.51 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 58.97 3a4r h LYS 350 Cb 1.21 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 3a4r h LYS 350 CO 0.64 0.69 0.00 -2.39 -2.06 0.00 0.00 179.45 176.33 3a4r n HIS 351 N -4.36 0.00 -2.10 -1.35 1.44 -1.26 -4.41 115.22 103.18 3a4r n HIS 351 Ca 0.06 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.35 3a4r n HIS 351 Cb 0.12 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.18 3a4r n HIS 351 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3a4r n GLN 352 N -1.05 3.13 -4.10 -1.40 6.02 0.12 -4.91 117.38 115.19 3a4r n GLN 352 Ca 0.20 -3.02 -0.32 0.00 -0.01 0.00 0.00 57.00 53.85 3a4r n GLN 352 Cb 0.12 -3.22 -0.16 0.00 1.02 0.00 0.00 30.24 28.00 3a4r n GLN 352 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3a4r s MET 353 N 2.60 2.77 -0.12 -1.09 1.75 -1.26 -1.01 119.30 122.94 3a4r s MET 353 Ca 0.46 -0.87 0.01 0.00 -1.25 0.00 0.00 55.69 54.04 3a4r s MET 353 Cb 0.10 -2.55 -0.01 0.00 2.84 0.00 0.00 34.83 35.20 3a4r s MET 353 CO -0.03 -0.27 -0.14 -1.17 -0.65 0.00 0.00 175.02 172.75 3a4r s LEU 354 N 1.29 2.66 -0.16 4.11 2.96 -0.30 -4.96 118.68 124.28 3a4r s LEU 354 Ca 0.03 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.50 3a4r s LEU 354 Cb -0.14 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.91 3a4r s LEU 354 CO -0.11 0.18 0.16 -0.70 -1.32 0.00 0.00 176.35 174.56 3a4r s GLU 355 N 0.26 3.94 -0.00 1.98 2.12 -1.26 -0.32 118.70 125.42 3a4r s GLU 355 Ca -0.10 -0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.11 3a4r s GLU 355 Cb -0.16 -3.34 -0.00 0.00 0.26 0.00 0.00 34.13 30.89 3a4r s GLU 355 CO 0.06 0.46 -0.03 -1.50 -0.54 0.00 0.00 175.26 173.71 3a4r s ILE 356 N -0.13 0.22 -0.40 -3.70 2.07 -0.44 -5.00 121.20 113.82 3a4r s ILE 356 Ca 0.12 -0.16 -0.15 0.00 -1.41 0.00 0.00 60.65 59.05 3a4r s ILE 356 Cb -0.12 -0.20 0.01 0.00 0.13 0.00 0.00 42.46 42.29 3a4r s ILE 356 CO 0.01 0.04 0.33 -0.55 -1.91 0.00 0.00 174.94 172.86 3a4r s SER 357 N -0.13 6.13 -0.20 4.50 0.15 -1.26 -0.77 113.70 122.13 3a4r s SER 357 Ca 0.00 -0.75 -0.07 0.00 0.70 0.00 0.00 55.95 55.84 3a4r s SER 357 Cb -0.01 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 3a4r s SER 357 CO -0.00 -0.46 0.05 -0.22 1.20 0.00 0.00 173.24 173.81 3a4r s LEU 358 N 1.83 3.61 0.35 3.45 2.96 0.27 -4.89 118.68 126.26 3a4r s LEU 358 Ca 0.07 -0.04 -0.27 0.00 -0.22 0.00 0.00 54.13 53.67 3a4r s LEU 358 Cb -0.18 -1.92 -0.09 0.00 0.50 0.00 0.00 46.19 44.49 3a4r s LEU 358 CO 0.11 0.11 1.24 -0.55 -1.32 0.00 0.00 176.35 175.94 3a4r s SER 359 N 0.76 6.70 0.49 3.68 0.15 -1.26 -0.90 113.70 123.31 3a4r s SER 359 Ca 0.03 2.54 0.33 0.00 0.70 0.00 0.00 55.95 59.55 3a4r s SER 359 Cb -0.14 -2.64 1.71 0.00 -1.71 0.00 0.00 66.02 63.25 3a4r s SER 359 CO 0.02 -0.57 2.01 1.55 1.20 0.00 0.00 173.24 177.45 3a4r h PRO 360 N 3.13 0.00 -0.63 5.44 0.13 -1.88 -0.39 132.00 137.81 3a4r h PRO 360 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3a4r h PRO 360 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3a4r h PRO 360 CO 0.64 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 3a4r n ASP 361 N -2.70 3.35 -4.68 1.44 3.85 -1.26 -4.37 116.55 112.18 3a4r n ASP 361 Ca -0.01 -2.00 -0.38 0.00 -0.71 0.00 0.00 54.79 51.68 3a4r n ASP 361 Cb 0.10 -0.42 -0.07 0.00 -1.35 0.00 0.00 41.12 39.38 3a4r n ASP 361 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 3a4r s SER 362 N -1.00 6.47 0.80 -1.12 0.01 -0.16 -5.07 113.70 113.63 3a4r s SER 362 Ca 0.42 0.56 -0.12 0.00 1.31 0.00 0.00 55.95 58.12 3a4r s SER 362 Cb 0.22 -2.24 0.07 0.00 0.21 0.00 0.00 66.02 64.28 3a4r s SER 362 CO 0.28 -0.07 1.13 -2.84 0.41 0.00 0.00 173.24 172.16 3a4r s PRO 363 N 1.21 1.90 0.62 12.44 0.02 -1.26 -4.35 135.00 145.58 3a4r s PRO 363 Ca 0.20 1.43 0.38 0.00 0.02 0.00 0.00 61.00 63.04 3a4r s PRO 363 Cb -0.15 -1.84 2.02 0.00 0.02 0.00 0.00 34.50 34.56 3a4r s PRO 363 CO 0.08 -1.95 2.25 -0.07 -0.33 0.00 0.00 177.00 176.98 3a4r h LEU 364 N -1.06 0.00 -1.82 -5.54 -0.00 -0.74 -0.88 115.31 105.26 3a4r h LEU 364 Ca -0.45 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.54 3a4r h LEU 364 Cb 1.26 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.89 3a4r h LEU 364 CO 0.48 0.02 0.33 0.50 -0.00 0.00 0.00 178.44 179.77 3a4r h LYS 365 N 0.00 0.20 -0.39 1.13 3.64 -1.45 -0.83 116.57 118.86 3a4r h LYS 365 Ca -0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3a4r h LYS 365 Cb 0.13 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3a4r h LYS 365 CO 0.00 0.13 0.24 0.28 -2.27 0.00 0.00 179.45 177.84 3a4r h VAL 366 N 0.21 1.12 -0.56 2.00 2.07 -1.45 -0.41 116.25 119.23 3a4r h VAL 366 Ca 0.23 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3a4r h VAL 366 Cb 0.62 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3a4r h VAL 366 CO -0.04 0.12 0.20 0.25 0.02 0.00 0.00 177.57 178.12 3a4r h LEU 367 N 0.52 0.79 -0.14 2.57 6.46 -1.34 -1.49 115.31 122.67 3a4r h LEU 367 Ca 0.14 -0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 3a4r h LEU 367 Cb -0.02 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.68 3a4r h LEU 367 CO -0.03 0.76 -0.04 0.24 -0.62 0.00 0.00 178.44 178.76 3a4r h MET 368 N 0.77 -0.00 -0.59 1.25 2.86 -0.97 -0.54 114.93 117.70 3a4r h MET 368 Ca 0.18 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3a4r h MET 368 Cb 0.23 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 3a4r h MET 368 CO -0.01 -0.00 0.39 0.77 1.06 0.00 0.00 176.91 179.12 3a4r h SER 369 N -0.00 0.68 -0.77 1.22 0.02 -0.93 -0.24 113.55 113.53 3a4r h SER 369 Ca 0.07 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3a4r h SER 369 Cb 0.11 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 3a4r h SER 369 CO -0.15 0.50 0.39 0.45 -1.14 0.00 0.00 176.83 176.88 3a4r h HIS 370 N 0.81 1.10 -0.16 3.45 -0.00 -1.01 -1.48 115.15 117.86 3a4r h HIS 370 Ca 0.22 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.53 3a4r h HIS 370 Cb -0.09 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 26.96 3a4r h HIS 370 CO -0.03 0.79 0.04 -0.92 -0.00 0.00 0.00 177.93 177.80 3a4r h TYR 371 N 1.11 0.26 -0.50 2.45 3.20 -0.32 -0.06 116.97 123.11 3a4r h TYR 371 Ca 0.27 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.17 3a4r h TYR 371 Cb 0.08 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 3a4r h TYR 371 CO 0.01 0.39 0.21 0.93 -1.64 0.00 0.00 178.16 178.06 3a4r h GLU 372 N 0.06 0.39 -0.21 1.82 5.08 -0.87 -1.34 114.58 119.52 3a4r h GLU 372 Ca 0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3a4r h GLU 372 Cb 0.26 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3a4r h GLU 372 CO 0.00 0.26 0.09 1.49 -1.00 0.00 0.00 179.01 179.85 3a4r h GLU 373 N 0.40 0.31 -0.80 2.33 4.57 -1.08 0.79 114.58 121.10 3a4r h GLU 373 Ca 0.23 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.41 3a4r h GLU 373 Cb 0.22 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.70 3a4r h GLU 373 CO -0.21 0.35 0.49 0.00 -1.18 0.00 0.00 179.01 178.46 3a4r h ALA 374 N 0.94 1.07 -0.02 2.92 0.00 -0.66 -3.02 119.26 120.49 3a4r h ALA 374 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3a4r h ALA 374 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3a4r h ALA 374 CO -0.01 0.26 -0.20 -1.33 0.00 0.00 0.00 179.25 177.97 3a4r n MET 375 N -4.64 1.47 -2.98 0.00 2.81 -0.53 -4.96 117.12 108.29 3a4r n MET 375 Ca 0.10 -1.07 -0.11 0.00 -1.81 0.00 0.00 57.70 54.81 3a4r n MET 375 Cb 0.13 -1.48 0.04 0.00 -0.71 0.00 0.00 33.22 31.20 3a4r n MET 375 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a4r n GLY 376 N 1.33 0.25 0.16 3.03 0.00 -0.48 -4.97 105.19 104.51 3a4r n GLY 376 Ca 0.13 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.99 3a4r n GLY 376 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a4r n LEU 377 N -2.55 2.25 -4.67 0.99 4.77 0.15 -5.03 117.00 112.90 3a4r n LEU 377 Ca 0.00 -3.06 -0.44 0.00 -0.03 0.00 0.00 56.01 52.48 3a4r n LEU 377 Cb 0.53 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3a4r n LEU 377 CO 0.30 0.76 0.98 -0.24 -1.33 0.00 0.00 177.39 177.86 3a4r n SER 378 N -1.31 2.69 0.00 -1.43 2.88 -1.24 -1.21 113.62 114.00 3a4r n SER 378 Ca 0.15 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 3a4r n SER 378 Cb 0.65 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 3a4r n SER 378 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a4r n GLY 379 N 1.93 2.41 3.78 0.46 0.00 -1.26 -5.02 105.19 107.49 3a4r n GLY 379 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3a4r n GLY 379 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a4r s HIS 380 N -2.53 2.79 -0.60 1.61 4.02 -0.35 -4.94 115.29 115.28 3a4r s HIS 380 Ca 0.00 1.55 -0.24 0.00 1.02 0.00 0.00 55.06 57.39 3a4r s HIS 380 Cb 0.00 -3.29 0.05 0.00 -1.02 0.00 0.00 32.58 28.33 3a4r s HIS 380 CO 0.00 -1.44 0.96 0.15 1.02 0.00 0.00 174.74 175.43 3a4r s LYS 381 N -3.08 3.23 0.09 1.40 1.02 -1.26 -4.98 119.74 116.16 3a4r s LYS 381 Ca 0.69 -0.51 0.10 0.00 0.02 0.00 0.00 55.97 56.27 3a4r s LYS 381 Cb -0.24 -4.13 -0.04 0.00 -0.52 0.00 0.00 37.83 32.90 3a4r s LYS 381 CO 0.28 -1.65 -0.24 -0.51 -0.92 0.00 0.00 175.35 172.31 3a4r s LEU 382 N 4.07 2.38 -0.17 3.17 1.43 -1.26 -4.65 118.68 123.66 3a4r s LEU 382 Ca 0.27 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3a4r s LEU 382 Cb -0.14 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 44.77 3a4r s LEU 382 CO 0.15 0.21 -0.19 -0.44 0.23 0.00 0.00 176.35 176.31 3a4r s SER 383 N -1.79 3.03 -0.13 2.29 0.01 -0.04 -4.98 113.70 112.08 3a4r s SER 383 Ca 0.14 -0.61 -0.07 0.00 1.31 0.00 0.00 55.95 56.72 3a4r s SER 383 Cb -0.10 -1.41 -0.04 0.00 0.21 0.00 0.00 66.02 64.68 3a4r s SER 383 CO 0.06 0.00 0.12 -0.36 0.41 0.00 0.00 173.24 173.47 3a4r s PHE 384 N 1.25 3.51 -0.00 2.43 0.08 -1.26 -0.70 117.98 123.29 3a4r s PHE 384 Ca 0.03 0.44 0.03 0.00 0.12 0.00 0.00 56.93 57.56 3a4r s PHE 384 Cb -0.13 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.34 3a4r s PHE 384 CO -0.11 0.62 -0.10 -0.06 -0.10 0.00 0.00 175.22 175.47 3a4r s PHE 385 N -0.73 0.88 -0.24 0.36 0.08 0.41 -0.65 117.98 118.09 3a4r s PHE 385 Ca 0.13 -0.18 -0.00 0.00 0.12 0.00 0.00 56.93 57.00 3a4r s PHE 385 Cb -0.12 -0.56 0.03 0.00 -0.57 0.00 0.00 43.02 41.80 3a4r s PHE 385 CO 0.03 -0.01 -0.10 0.12 -0.10 0.00 0.00 175.22 175.16 3a4r s PHE 386 N -0.29 3.06 -1.62 0.36 5.36 -0.17 -1.30 117.98 123.38 3a4r s PHE 386 Ca 0.03 -1.76 -0.15 0.00 -0.96 0.00 0.00 56.93 54.09 3a4r s PHE 386 Cb -0.04 -2.00 0.12 0.00 -0.34 0.00 0.00 43.02 40.76 3a4r s PHE 386 CO -0.00 -0.78 0.77 -3.47 -1.46 0.00 0.00 175.22 170.27 3a4r n ASP 387 N 4.60 -3.12 0.00 6.13 2.03 -1.26 -1.00 116.55 123.93 3a4r n ASP 387 Ca -0.17 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.18 3a4r n ASP 387 Cb 0.46 -3.03 0.00 0.00 -0.72 0.00 0.00 41.12 37.83 3a4r n ASP 387 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a4r n GLY 388 N -1.55 1.56 3.64 0.27 0.00 -1.26 -5.03 105.19 102.82 3a4r n GLY 388 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3a4r n GLY 388 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a4r s THR 389 N -2.39 5.08 0.15 2.61 2.01 -0.17 -5.03 115.64 117.89 3a4r s THR 389 Ca 0.00 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 62.65 3a4r s THR 389 Cb 0.00 -3.85 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 3a4r s THR 389 CO 0.00 0.12 1.21 -0.75 -0.69 0.00 0.00 174.62 174.51 3a4r s LYS 390 N 2.00 4.47 -0.07 4.92 2.20 -1.26 -1.00 119.74 130.99 3a4r s LYS 390 Ca 0.23 1.86 -0.14 0.00 -0.36 0.00 0.00 55.97 57.56 3a4r s LYS 390 Cb -0.15 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 3a4r s LYS 390 CO 0.09 -0.15 0.36 -0.51 -0.36 0.00 0.00 175.35 174.78 3a4r s LEU 391 N 0.16 4.38 0.16 5.43 1.43 0.18 -4.96 118.68 125.46 3a4r s LEU 391 Ca 0.55 0.77 0.17 0.00 -1.03 0.00 0.00 54.13 54.59 3a4r s LEU 391 Cb -0.32 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 3a4r s LEU 391 CO 0.34 0.23 1.07 0.77 0.23 0.00 0.00 176.35 178.99 3a4r h SER 392 N 5.52 0.00 0.00 2.29 4.64 -1.95 -3.43 113.55 120.62 3a4r h SER 392 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3a4r h SER 392 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3a4r h SER 392 CO 0.67 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 177.69 3a4r n GLY 393 N 1.30 0.42 0.07 -0.77 0.00 -1.26 -4.88 105.19 100.07 3a4r n GLY 393 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3a4r n GLY 393 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a4r n LYS 394 N -2.00 0.23 -2.03 1.61 5.02 -1.26 -1.24 118.16 118.49 3a4r n LYS 394 Ca 0.00 0.11 -0.38 0.00 -2.02 0.00 0.00 58.31 56.02 3a4r n LYS 394 Cb 0.00 -1.69 0.01 0.00 -0.02 0.00 0.00 35.03 33.33 3a4r n LYS 394 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3a4r s GLU 395 N -3.12 3.52 0.31 1.97 8.01 -1.26 -4.76 118.70 123.37 3a4r s GLU 395 Ca 0.09 2.01 -0.02 0.00 0.01 0.00 0.00 54.97 57.06 3a4r s GLU 395 Cb 0.14 -2.38 -0.04 0.00 -4.31 0.00 0.00 34.13 27.53 3a4r s GLU 395 CO 0.67 -0.81 0.54 -0.51 0.01 0.00 0.00 175.26 175.15 3a4r s LEU 396 N -3.17 4.04 0.29 1.80 1.43 -1.26 -0.65 118.68 121.15 3a4r s LEU 396 Ca 0.66 0.56 0.04 0.00 -1.03 0.00 0.00 54.13 54.36 3a4r s LEU 396 Cb -0.35 -3.40 0.71 0.00 0.03 0.00 0.00 46.19 43.19 3a4r s LEU 396 CO 0.42 -0.24 1.73 -0.65 0.23 0.00 0.00 176.35 177.84 3a4r h PRO 397 N 1.22 0.54 0.00 1.29 0.11 -1.76 0.11 132.00 133.51 3a4r h PRO 397 Ca -0.49 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3a4r h PRO 397 Cb 1.20 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3a4r h PRO 397 CO 0.64 0.36 -0.16 0.00 -0.21 0.00 0.00 178.00 178.62 3a4r h ALA 398 N 1.66 1.37 -0.10 -0.75 0.00 -1.89 -0.70 119.26 118.86 3a4r h ALA 398 Ca 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3a4r h ALA 398 Cb 0.96 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3a4r h ALA 398 CO -0.45 0.21 -0.04 -0.44 0.00 0.00 0.00 179.25 178.52 3a4r h ASP 399 N 0.00 0.13 0.15 0.00 3.32 -1.35 -3.03 116.42 115.63 3a4r h ASP 399 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3a4r h ASP 399 Cb 0.38 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3a4r h ASP 399 CO 0.02 0.20 -1.42 0.18 -1.72 0.00 0.00 179.24 176.50 3a4r n LEU 400 N -4.40 0.48 -0.93 1.55 4.77 -0.50 -4.98 117.00 112.98 3a4r n LEU 400 Ca -0.01 -0.14 -0.08 0.00 -0.03 0.00 0.00 56.01 55.75 3a4r n LEU 400 Cb 0.17 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3a4r n LEU 400 CO 0.36 0.08 -0.08 0.61 -1.33 0.00 0.00 177.39 177.02 3a4r n GLY 401 N 1.35 0.09 3.75 -0.72 0.00 -0.39 -5.01 105.19 104.26 3a4r n GLY 401 Ca -0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 3a4r n GLY 401 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a4r s LEU 402 N -2.28 3.79 0.06 0.99 1.43 -0.92 -5.02 118.68 116.73 3a4r s LEU 402 Ca 0.02 2.69 -0.01 0.00 -1.03 0.00 0.00 54.13 55.80 3a4r s LEU 402 Cb -0.01 -4.37 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 3a4r s LEU 402 CO 0.02 -1.63 -0.02 -1.83 0.23 0.00 0.00 176.35 173.12 3a4r s GLU 403 N -3.02 0.67 0.32 1.70 -1.05 -1.26 -4.87 118.70 111.19 3a4r s GLU 403 Ca 0.74 -1.26 -0.29 0.00 -0.15 0.00 0.00 54.97 54.01 3a4r s GLU 403 Cb -0.38 0.20 -0.12 0.00 -0.44 0.00 0.00 34.13 33.38 3a4r s GLU 403 CO 0.44 -0.13 1.49 0.43 0.95 0.00 0.00 175.26 178.44 3a4r n SER 404 N 0.07 3.51 0.00 0.83 7.64 -1.26 -1.83 113.62 122.58 3a4r n SER 404 Ca -0.13 1.18 0.00 0.00 1.01 0.00 0.00 58.87 60.94 3a4r n SER 404 Cb 0.61 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 3a4r n SER 404 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a4r n GLY 405 N 1.38 0.64 3.86 0.23 0.00 0.30 -4.91 105.19 106.69 3a4r n GLY 405 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3a4r n GLY 405 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a4r s ASP 406 N -2.89 5.51 0.01 1.61 1.01 -0.76 -4.89 116.67 116.28 3a4r s ASP 406 Ca 0.00 1.33 0.07 0.00 0.71 0.00 0.00 52.55 54.66 3a4r s ASP 406 Cb 0.00 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 3a4r s ASP 406 CO 0.00 -1.32 -0.22 -0.76 0.21 0.00 0.00 175.17 173.08 3a4r s LEU 407 N -5.41 2.37 -0.10 1.23 1.43 -1.26 -2.10 118.68 114.84 3a4r s LEU 407 Ca 0.58 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3a4r s LEU 407 Cb -0.12 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 3a4r s LEU 407 CO 0.53 0.29 -0.16 -0.63 0.23 0.00 0.00 176.35 176.61 3a4r s ILE 408 N -0.78 2.82 -0.11 -0.59 -1.09 -0.10 -4.55 121.20 116.81 3a4r s ILE 408 Ca 0.12 -0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 57.73 3a4r s ILE 408 Cb -0.10 -2.14 -0.04 0.00 -1.58 0.00 0.00 42.46 38.60 3a4r s ILE 408 CO 0.02 0.55 0.06 -1.61 -1.23 0.00 0.00 174.94 172.73 3a4r s GLU 409 N 0.08 3.25 -0.14 2.79 2.02 -0.42 -1.16 118.70 125.12 3a4r s GLU 409 Ca -0.07 -0.29 0.02 0.00 0.02 0.00 0.00 54.97 54.65 3a4r s GLU 409 Cb -0.15 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 31.11 3a4r s GLU 409 CO 0.05 0.70 -0.20 0.08 0.02 0.00 0.00 175.26 175.91 3a4r s VAL 410 N -0.84 1.93 0.06 2.63 1.01 0.01 -0.45 120.40 124.75 3a4r s VAL 410 Ca 0.13 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.24 3a4r s VAL 410 Cb -0.12 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3a4r s VAL 410 CO 0.03 0.52 0.07 0.26 0.00 0.00 0.00 175.10 175.99 3a4r s TRP 411 N 0.96 3.20 0.00 5.22 0.52 0.13 -3.51 118.94 125.45 3a4r s TRP 411 Ca -0.04 0.10 0.00 0.00 0.02 0.00 0.00 56.10 56.18 3a4r s TRP 411 Cb -0.15 -1.65 0.00 0.00 -1.15 0.00 0.00 33.47 30.53 3a4r s TRP 411 CO -0.04 0.52 0.00 0.41 0.02 0.00 0.00 176.95 177.86