#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dt3 h ALA 307 N 0.00 1.19 -0.01 1.96 0.00 -1.98 -3.08 119.26 117.35 3dt3 h ALA 307 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3dt3 h ALA 307 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3dt3 h ALA 307 CO 0.00 0.49 -0.19 1.28 0.00 0.00 0.00 179.25 180.83 3dt3 n LEU 308 N -3.84 0.74 -0.58 0.00 4.77 -1.26 -3.58 117.00 113.25 3dt3 n LEU 308 Ca -0.01 -0.12 0.10 0.00 -0.03 0.00 0.00 56.01 55.94 3dt3 n LEU 308 Cb 0.46 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3dt3 n LEU 308 CO 0.38 0.14 0.40 -1.54 -1.33 0.00 0.00 177.39 175.44 3dt3 n SER 309 N -0.83 2.15 -4.77 -1.43 3.41 -1.16 -4.98 113.62 106.01 3dt3 n SER 309 Ca 0.13 -1.58 -0.39 0.00 -0.26 0.00 0.00 58.87 56.78 3dt3 n SER 309 Cb 0.32 0.28 -0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3dt3 n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dt3 s LEU 310 N -1.99 4.13 0.78 1.04 1.43 -1.23 -5.03 118.68 117.80 3dt3 s LEU 310 Ca 0.19 2.53 -0.12 0.00 -1.03 0.00 0.00 54.13 55.70 3dt3 s LEU 310 Cb 0.16 -4.04 0.07 0.00 0.03 0.00 0.00 46.19 42.40 3dt3 s LEU 310 CO 0.38 -0.91 1.15 0.42 0.23 0.00 0.00 176.35 177.62 3dt3 s THR 311 N -1.35 2.33 0.20 5.49 -4.23 -1.26 -4.87 115.64 111.95 3dt3 s THR 311 Ca 0.60 0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 61.10 3dt3 s THR 311 Cb -0.35 -3.10 0.13 0.00 1.34 0.00 0.00 72.50 70.52 3dt3 s THR 311 CO 0.44 -0.13 1.78 0.00 -0.54 0.00 0.00 174.62 176.16 3dt3 h ALA 312 N -0.95 0.81 -0.57 3.99 0.00 -1.94 0.44 119.26 121.03 3dt3 h ALA 312 Ca -0.46 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 3dt3 h ALA 312 Cb 1.31 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3dt3 h ALA 312 CO 0.65 -0.08 0.04 -0.44 0.00 0.00 0.00 179.25 179.43 3dt3 h ASP 313 N 0.54 0.95 0.36 0.00 3.32 -1.95 -1.25 116.42 118.38 3dt3 h ASP 313 Ca 0.29 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3dt3 h ASP 313 Cb 0.26 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3dt3 h ASP 313 CO -0.23 1.00 -0.28 1.56 -1.72 0.00 0.00 179.24 179.58 3dt3 h GLN 314 N 0.87 0.00 0.28 3.56 4.20 -1.84 -1.35 115.11 120.83 3dt3 h GLN 314 Ca 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 3dt3 h GLN 314 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3dt3 h GLN 314 CO 0.02 0.28 -0.14 1.98 -0.67 0.00 0.00 178.83 180.30 3dt3 h MET 315 N 0.00 -0.37 -0.70 1.46 4.05 -0.55 -1.04 114.93 117.79 3dt3 h MET 315 Ca -0.00 0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.58 3dt3 h MET 315 Cb 0.53 0.08 -0.13 0.00 -0.80 0.00 0.00 31.60 31.28 3dt3 h MET 315 CO 0.04 -0.10 -0.18 0.28 0.23 0.00 0.00 176.91 177.17 3dt3 h VAL 316 N -1.03 0.29 -0.77 -5.77 2.07 -1.25 -0.85 116.25 108.94 3dt3 h VAL 316 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3dt3 h VAL 316 Cb 0.43 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3dt3 h VAL 316 CO 0.06 0.00 0.49 -1.28 0.02 0.00 0.00 177.57 176.86 3dt3 h SER 317 N -0.01 0.90 -0.31 0.57 0.87 -1.25 -0.67 113.55 113.64 3dt3 h SER 317 Ca 0.33 -0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.70 3dt3 h SER 317 Cb 0.51 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3dt3 h SER 317 CO -0.72 0.67 -0.41 0.00 -0.53 0.00 0.00 176.83 175.84 3dt3 h ALA 318 N 1.49 0.61 -0.28 6.23 0.00 0.03 -2.32 119.26 125.03 3dt3 h ALA 318 Ca 0.28 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3dt3 h ALA 318 Cb -0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3dt3 h ALA 318 CO -0.06 0.68 -0.32 -0.07 0.00 0.00 0.00 179.25 179.48 3dt3 h LEU 319 N 0.71 0.76 0.16 0.00 3.38 -0.63 -1.26 115.31 118.43 3dt3 h LEU 319 Ca 0.05 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3dt3 h LEU 319 Cb 0.99 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3dt3 h LEU 319 CO 0.10 1.10 -0.16 -0.07 0.09 0.00 0.00 178.44 179.49 3dt3 h LEU 320 N 0.45 -0.44 -2.01 1.67 3.38 -1.19 -1.76 115.31 115.42 3dt3 h LEU 320 Ca 0.04 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.21 3dt3 h LEU 320 Cb 0.90 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3dt3 h LEU 320 CO 0.08 -0.25 0.40 0.44 0.09 0.00 0.00 178.44 179.20 3dt3 h ASP 321 N -0.35 0.00 1.33 -0.43 3.32 -1.39 -1.03 116.42 117.87 3dt3 h ASP 321 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dt3 h ASP 321 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3dt3 h ASP 321 CO -0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.47 3dt3 n ALA 322 N -2.60 2.27 -1.67 3.45 0.00 -0.48 -4.94 120.51 116.53 3dt3 n ALA 322 Ca 0.10 -0.04 -0.45 0.00 0.00 0.00 0.00 53.44 53.05 3dt3 n ALA 322 Cb 0.63 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 3dt3 n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dt3 n GLU 323 N -2.08 2.06 -1.48 0.00 -0.58 -0.39 -4.61 120.64 113.56 3dt3 n GLU 323 Ca 0.06 0.74 -0.29 0.00 -0.42 0.00 0.00 57.16 57.24 3dt3 n GLU 323 Cb 0.40 -2.43 0.12 0.00 -0.57 0.00 0.00 31.44 28.96 3dt3 n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3dt3 s PRO 324 N -0.02 1.59 0.67 3.49 0.04 -1.26 -5.04 135.00 134.47 3dt3 s PRO 324 Ca 0.71 0.55 -0.10 0.00 0.04 0.00 0.00 61.00 62.20 3dt3 s PRO 324 Cb -0.66 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.02 3dt3 s PRO 324 CO 0.46 -1.94 1.04 -1.25 0.04 0.00 0.00 177.00 175.35 3dt3 s PRO 325 N -5.15 2.94 -0.23 0.56 0.04 -1.26 -5.03 135.00 126.86 3dt3 s PRO 325 Ca 0.62 0.36 -0.23 0.00 0.04 0.00 0.00 61.00 61.79 3dt3 s PRO 325 Cb -0.15 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 3dt3 s PRO 325 CO 0.54 -0.90 0.75 0.42 0.04 0.00 0.00 177.00 177.85 3dt3 s ILE 326 N -3.24 4.90 0.21 0.56 1.01 -1.26 -5.05 121.20 118.33 3dt3 s ILE 326 Ca 0.57 1.41 0.02 0.00 0.00 0.00 0.00 60.65 62.65 3dt3 s ILE 326 Cb -0.11 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 3dt3 s ILE 326 CO 0.50 -0.01 0.37 -0.76 0.00 0.00 0.00 174.94 175.04 3dt3 s LEU 327 N 2.57 4.25 0.13 2.97 1.43 -1.26 -5.04 118.68 123.73 3dt3 s LEU 327 Ca 0.32 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 3dt3 s LEU 327 Cb -0.16 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 3dt3 s LEU 327 CO 0.09 -0.05 0.21 -0.31 0.23 0.00 0.00 176.35 176.51 3dt3 s TYR 328 N -1.92 3.36 0.35 0.29 2.02 -1.26 -4.42 117.35 115.76 3dt3 s TYR 328 Ca 0.36 0.09 -0.27 0.00 -0.37 0.00 0.00 57.07 56.88 3dt3 s TYR 328 Cb -0.10 -1.63 -0.09 0.00 -0.40 0.00 0.00 41.96 39.74 3dt3 s TYR 328 CO 0.30 0.53 1.16 0.45 -1.57 0.00 0.00 175.55 176.42 3dt3 s SER 329 N -3.01 6.84 0.53 2.29 0.15 -1.26 -4.94 113.70 114.30 3dt3 s SER 329 Ca 0.33 2.36 0.34 0.00 0.70 0.00 0.00 55.95 59.69 3dt3 s SER 329 Cb -0.11 -2.62 1.50 0.00 -1.71 0.00 0.00 66.02 63.07 3dt3 s SER 329 CO 0.26 -0.45 2.01 1.05 1.20 0.00 0.00 173.24 177.31 3dt3 h GLU 330 N 3.17 0.00 0.00 5.44 9.09 -1.96 -3.49 114.58 126.83 3dt3 h GLU 330 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 3dt3 h GLU 330 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 3dt3 h GLU 330 CO 0.64 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 178.57 3dt3 n SER 338 N -2.98 0.00 -4.56 3.06 3.41 -1.26 -5.16 113.62 106.14 3dt3 n SER 338 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 3dt3 n SER 338 Cb 0.25 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 3dt3 n SER 338 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3dt3 s GLU 339 N 0.00 2.53 0.00 4.33 -6.30 -1.26 -4.96 118.70 113.05 3dt3 s GLU 339 Ca 0.00 1.13 0.00 0.00 -2.50 0.00 0.00 54.97 53.60 3dt3 s GLU 339 Cb 0.00 -4.44 0.00 0.00 0.00 0.00 0.00 34.13 29.69 3dt3 s GLU 339 CO 0.00 -2.81 0.00 0.00 0.02 0.00 0.00 175.26 172.47 3dt3 n ALA 340 N 13.67 0.00 -2.11 6.30 0.00 -1.26 -4.84 120.51 132.28 3dt3 n ALA 340 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.32 3dt3 n ALA 340 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3dt3 n ALA 340 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dt3 s SER 341 N -1.15 5.57 0.35 0.00 0.15 -1.26 -4.83 113.70 112.54 3dt3 s SER 341 Ca 0.00 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.19 3dt3 s SER 341 Cb 0.00 -2.53 0.65 0.00 -1.71 0.00 0.00 66.02 62.43 3dt3 s SER 341 CO 0.00 -2.11 2.01 -0.03 1.20 0.00 0.00 173.24 174.31 3dt3 h MET 342 N 13.72 0.81 -0.36 5.44 -1.53 -1.96 0.10 114.93 131.15 3dt3 h MET 342 Ca -0.28 -0.05 -0.09 0.00 -3.44 0.00 0.00 59.70 55.84 3dt3 h MET 342 Cb 1.15 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 32.00 3dt3 h MET 342 CO 1.17 0.54 -0.15 0.52 0.14 0.00 0.00 176.91 179.13 3dt3 h MET 343 N 0.84 0.65 0.05 0.39 2.86 -1.99 -1.58 114.93 116.15 3dt3 h MET 343 Ca 0.23 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3dt3 h MET 343 Cb -0.08 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3dt3 h MET 343 CO -0.05 0.77 -0.11 0.78 1.06 0.00 0.00 176.91 179.36 3dt3 h GLY 344 N 0.97 -0.18 0.99 8.32 0.00 -1.57 -0.32 103.07 111.28 3dt3 h GLY 344 Ca 0.10 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.57 3dt3 h GLY 344 CO 0.04 -0.12 0.57 1.41 0.00 0.00 0.00 176.54 178.45 3dt3 h LEU 345 N -0.22 0.99 -0.37 3.11 3.38 -0.92 -1.21 115.31 120.06 3dt3 h LEU 345 Ca 0.03 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 3dt3 h LEU 345 Cb 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3dt3 h LEU 345 CO -0.08 0.71 -0.80 -0.07 0.09 0.00 0.00 178.44 178.29 3dt3 h LEU 346 N 1.17 0.32 -0.21 1.67 3.38 -1.17 -1.76 115.31 118.71 3dt3 h LEU 346 Ca 0.32 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 3dt3 h LEU 346 Cb -0.12 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3dt3 h LEU 346 CO -0.07 1.00 -0.57 0.74 0.09 0.00 0.00 178.44 179.63 3dt3 h THR 347 N 0.16 1.30 -0.63 0.22 2.02 -0.88 -0.86 112.91 114.24 3dt3 h THR 347 Ca -0.04 -1.77 -0.04 0.00 0.77 0.00 0.00 66.41 65.33 3dt3 h THR 347 Cb 1.40 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 69.61 3dt3 h THR 347 CO 0.13 0.56 0.23 -1.13 0.37 0.00 0.00 175.52 175.68 3dt3 h ASN 348 N 0.49 0.89 0.15 4.18 -0.73 -1.22 -0.49 115.58 118.85 3dt3 h ASN 348 Ca -0.01 -0.19 -0.00 0.00 1.87 0.00 0.00 56.30 57.97 3dt3 h ASN 348 Cb 1.18 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 39.54 3dt3 h ASN 348 CO 0.12 0.84 -0.09 0.25 -0.37 0.00 0.00 177.43 178.18 3dt3 h LEU 349 N 0.90 -0.22 -0.51 0.34 5.85 -1.26 -2.17 115.31 118.24 3dt3 h LEU 349 Ca 0.21 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.97 3dt3 h LEU 349 Cb 0.24 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3dt3 h LEU 349 CO -0.01 -0.15 0.29 0.00 -0.34 0.00 0.00 178.44 178.23 3dt3 h ALA 350 N 0.62 0.66 -0.63 1.25 0.00 -0.99 -0.80 119.26 119.37 3dt3 h ALA 350 Ca -0.01 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3dt3 h ALA 350 Cb 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3dt3 h ALA 350 CO 0.01 -0.02 0.35 -0.44 0.00 0.00 0.00 179.25 179.16 3dt3 h ASP 351 N 0.58 0.54 -0.10 0.00 3.32 -1.01 0.12 116.42 119.88 3dt3 h ASP 351 Ca 0.21 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 3dt3 h ASP 351 Cb 0.06 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3dt3 h ASP 351 CO -0.11 0.36 -0.30 0.03 -1.72 0.00 0.00 179.24 177.50 3dt3 h ARG 352 N 0.67 0.57 -0.20 3.56 3.08 -1.04 -2.96 114.38 118.06 3dt3 h ARG 352 Ca 0.27 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3dt3 h ARG 352 Cb 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3dt3 h ARG 352 CO -0.15 0.80 -0.26 0.93 -1.07 0.00 0.00 179.97 180.22 3dt3 h GLU 353 N 0.49 0.37 -0.64 0.04 5.08 -0.24 -3.15 114.58 116.53 3dt3 h GLU 353 Ca 0.06 -0.14 0.10 0.00 -1.00 0.00 0.00 59.36 58.38 3dt3 h GLU 353 Cb 0.76 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 3dt3 h GLU 353 CO 0.06 0.61 0.26 1.25 -1.00 0.00 0.00 179.01 180.20 3dt3 h LEU 354 N 0.33 0.29 -0.16 1.33 5.85 -0.83 0.95 115.31 123.07 3dt3 h LEU 354 Ca 0.05 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3dt3 h LEU 354 Cb 0.64 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 3dt3 h LEU 354 CO 0.05 0.16 -0.17 0.58 -0.34 0.00 0.00 178.44 178.72 3dt3 h VAL 355 N 0.46 0.55 0.00 1.05 2.07 -1.62 -1.44 116.25 117.32 3dt3 h VAL 355 Ca 0.32 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.78 3dt3 h VAL 355 Cb 0.39 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3dt3 h VAL 355 CO -0.30 0.00 -0.29 0.45 0.02 0.00 0.00 177.57 177.44 3dt3 h HIS 356 N -0.20 0.00 -0.29 1.57 3.86 -1.42 -2.15 115.15 116.53 3dt3 h HIS 356 Ca 0.11 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.23 3dt3 h HIS 356 Cb 0.35 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 3dt3 h HIS 356 CO -0.29 0.29 -0.19 1.98 0.86 0.00 0.00 177.93 180.58 3dt3 h MET 357 N 0.00 0.52 -0.10 2.45 -1.53 -0.02 -1.65 114.93 114.60 3dt3 h MET 357 Ca -0.00 -0.17 -0.01 0.00 -3.44 0.00 0.00 59.70 56.07 3dt3 h MET 357 Cb 0.61 -0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 31.61 3dt3 h MET 357 CO 0.04 0.68 0.03 0.82 0.14 0.00 0.00 176.91 178.62 3dt3 h ILE 358 N 0.47 1.19 -0.89 1.77 1.08 -0.62 0.11 117.51 120.63 3dt3 h ILE 358 Ca 0.08 -0.59 0.05 0.00 -0.39 0.00 0.00 64.86 64.01 3dt3 h ILE 358 Cb 0.59 1.40 -0.05 0.00 -3.07 0.00 0.00 36.82 35.68 3dt3 h ILE 358 CO 0.04 0.17 0.58 0.78 -0.69 0.00 0.00 178.15 179.03 3dt3 h ASN 359 N -0.04 0.92 0.14 1.72 2.35 -1.45 -2.10 115.58 117.12 3dt3 h ASN 359 Ca 0.03 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3dt3 h ASN 359 Cb 0.24 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3dt3 h ASN 359 CO 0.00 0.61 -0.07 -0.25 -1.65 0.00 0.00 177.43 176.08 3dt3 h TRP 360 N 1.06 -0.18 -0.94 1.19 7.01 -1.02 -3.10 115.95 119.98 3dt3 h TRP 360 Ca 0.37 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.47 3dt3 h TRP 360 Cb 0.11 0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.15 3dt3 h TRP 360 CO -0.00 0.14 0.57 0.00 -2.79 0.00 0.00 178.44 176.36 3dt3 h ALA 361 N 0.29 1.38 0.00 2.65 0.00 -0.76 0.15 119.26 122.97 3dt3 h ALA 361 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dt3 h ALA 361 Cb 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3dt3 h ALA 361 CO 0.03 0.19 0.00 0.87 0.00 0.00 0.00 179.25 180.34 3dt3 h LYS 362 N 0.93 0.00 -0.02 0.00 1.57 -1.32 -0.54 116.57 117.19 3dt3 h LYS 362 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 3dt3 h LYS 362 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3dt3 h LYS 362 CO -0.26 0.00 -0.30 0.54 -0.57 0.00 0.00 179.45 178.86 3dt3 n ARG 363 N -2.60 1.62 -2.20 3.15 1.74 0.49 -4.53 116.66 114.34 3dt3 n ARG 363 Ca -0.01 -1.34 -0.42 0.00 -0.77 0.00 0.00 57.85 55.31 3dt3 n ARG 363 Cb 0.12 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 3dt3 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dt3 s VAL 364 N -2.30 3.86 0.05 1.55 1.01 -0.21 -4.82 120.40 119.54 3dt3 s VAL 364 Ca 0.22 1.08 -0.33 0.00 0.00 0.00 0.00 61.98 62.95 3dt3 s VAL 364 Cb 0.19 -3.69 -0.12 0.00 0.00 0.00 0.00 36.38 32.75 3dt3 s VAL 364 CO 0.47 -0.08 1.80 -2.65 0.00 0.00 0.00 175.10 174.64 3dt3 n PRO 365 N 6.62 2.42 0.00 2.72 -0.02 -1.26 -1.44 135.00 144.04 3dt3 n PRO 365 Ca 0.15 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3dt3 n PRO 365 Cb 0.44 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3dt3 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dt3 n GLY 366 N 4.12 2.12 0.07 -1.23 0.00 -1.26 -4.96 105.19 104.04 3dt3 n GLY 366 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 3dt3 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dt3 h PHE 367 N 0.00 0.11 0.00 1.61 3.04 -1.52 -2.33 116.94 117.85 3dt3 h PHE 367 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3dt3 h PHE 367 Cb 0.00 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.47 3dt3 h PHE 367 CO 0.00 0.14 0.00 1.33 -2.02 0.00 0.00 178.31 177.76 3dt3 n VAL 368 N -4.99 0.53 0.22 1.41 0.24 -1.26 -1.92 118.33 112.56 3dt3 n VAL 368 Ca -0.06 0.13 0.11 0.00 -2.04 0.00 0.00 64.34 62.48 3dt3 n VAL 368 Cb 0.06 -0.83 0.38 0.00 -1.47 0.00 0.00 33.84 31.99 3dt3 n VAL 368 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3dt3 h ASP 369 N 0.00 0.00 -4.25 -1.34 3.32 -1.80 -3.46 116.42 108.89 3dt3 h ASP 369 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 3dt3 h ASP 369 Cb 0.20 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.87 3dt3 h ASP 369 CO 0.00 0.19 0.32 -0.76 -1.72 0.00 0.00 179.24 177.27 3dt3 s LEU 370 N -6.50 2.65 0.83 1.55 1.43 -0.81 -5.04 118.68 112.79 3dt3 s LEU 370 Ca 0.02 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 3dt3 s LEU 370 Cb 0.09 -4.07 0.10 0.00 0.03 0.00 0.00 46.19 42.33 3dt3 s LEU 370 CO 0.64 -2.04 1.13 0.42 0.23 0.00 0.00 176.35 176.73 3dt3 s THR 371 N -3.07 2.62 0.16 5.49 -4.23 -1.26 -4.86 115.64 110.49 3dt3 s THR 371 Ca 0.61 0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 61.18 3dt3 s THR 371 Cb -0.15 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.23 3dt3 s THR 371 CO 0.55 -0.25 1.79 0.25 -0.54 0.00 0.00 174.62 176.42 3dt3 h LEU 372 N -1.36 0.33 -0.23 4.79 5.85 -1.96 -1.65 115.31 121.08 3dt3 h LEU 372 Ca -0.44 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.36 3dt3 h LEU 372 Cb 1.26 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.16 3dt3 h LEU 372 CO 0.47 0.24 -0.30 -0.74 -0.34 0.00 0.00 178.44 177.76 3dt3 h HIS 373 N 0.44 -0.82 -0.32 1.25 2.76 -2.00 -1.05 115.15 115.40 3dt3 h HIS 373 Ca 0.17 0.04 -0.10 0.00 -2.20 0.00 0.00 60.37 58.29 3dt3 h HIS 373 Cb 0.05 0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 3dt3 h HIS 373 CO -0.09 -0.37 -0.20 -0.44 -1.30 0.00 0.00 177.93 175.53 3dt3 h ASP 374 N -0.32 0.60 0.00 3.26 3.32 -1.91 -1.44 116.42 119.93 3dt3 h ASP 374 Ca 0.13 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.00 3dt3 h ASP 374 Cb 0.52 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3dt3 h ASP 374 CO -0.41 0.80 -0.12 1.56 -1.72 0.00 0.00 179.24 179.35 3dt3 h GLN 375 N 0.53 -0.20 0.07 3.56 4.20 -0.79 -0.80 115.11 121.69 3dt3 h GLN 375 Ca 0.08 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.82 3dt3 h GLN 375 Cb 0.64 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 3dt3 h GLN 375 CO 0.05 -0.13 -0.11 0.28 -0.67 0.00 0.00 178.83 178.24 3dt3 h VAL 376 N -0.20 0.73 -0.91 -0.54 2.07 -0.96 -1.97 116.25 114.48 3dt3 h VAL 376 Ca 0.04 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.73 3dt3 h VAL 376 Cb 0.25 0.73 -0.10 0.00 -1.52 0.00 0.00 31.29 30.65 3dt3 h VAL 376 CO -0.12 0.00 0.49 -0.74 0.02 0.00 0.00 177.57 177.22 3dt3 h HIS 377 N -0.23 0.84 -0.29 1.57 -0.00 -1.14 0.16 115.15 116.06 3dt3 h HIS 377 Ca 0.02 0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.36 3dt3 h HIS 377 Cb 0.24 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 3dt3 h HIS 377 CO -0.14 0.16 -0.07 -0.07 -0.00 0.00 0.00 177.93 177.81 3dt3 h LEU 378 N 0.63 0.56 -0.74 0.26 3.38 -0.66 -2.07 115.31 116.67 3dt3 h LEU 378 Ca 0.52 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 3dt3 h LEU 378 Cb 0.80 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3dt3 h LEU 378 CO -0.40 0.79 -0.39 -0.07 0.09 0.00 0.00 178.44 178.46 3dt3 h LEU 379 N 0.31 0.53 -1.25 1.67 3.38 -0.76 -1.99 115.31 117.20 3dt3 h LEU 379 Ca 0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3dt3 h LEU 379 Cb 0.55 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3dt3 h LEU 379 CO 0.03 0.87 0.09 -0.08 0.09 0.00 0.00 178.44 179.44 3dt3 h GLU 380 N 0.42 0.60 0.07 1.13 4.81 -0.61 -0.30 114.58 120.71 3dt3 h GLU 380 Ca 0.04 -0.11 -0.25 0.00 -0.13 0.00 0.00 59.36 58.91 3dt3 h GLU 380 Cb 0.87 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3dt3 h GLU 380 CO 0.07 0.56 -1.11 0.00 -0.73 0.00 0.00 179.01 177.81 3dt3 n ALA 382 N -2.53 4.00 -0.33 0.00 0.00 -0.77 -4.68 120.51 116.20 3dt3 n ALA 382 Ca -0.08 -0.46 0.06 0.00 0.00 0.00 0.00 53.44 52.96 3dt3 n ALA 382 Cb 0.94 -0.60 0.21 0.00 0.00 0.00 0.00 19.45 20.00 3dt3 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3dt3 h TRP 383 N 0.00 0.98 0.04 0.00 5.08 -1.25 0.15 115.95 120.95 3dt3 h TRP 383 Ca 0.00 0.03 -0.25 0.00 1.08 0.00 0.00 58.89 59.75 3dt3 h TRP 383 Cb 0.43 -0.30 0.01 0.00 -3.00 0.00 0.00 29.16 26.30 3dt3 h TRP 383 CO 0.00 0.37 -1.06 1.25 -1.28 0.00 0.00 178.44 177.72 3dt3 h LEU 384 N 0.86 0.64 -0.94 0.11 5.85 -1.85 -1.51 115.31 118.47 3dt3 h LEU 384 Ca 0.46 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3dt3 h LEU 384 Cb 0.47 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3dt3 h LEU 384 CO -0.27 1.36 0.63 -0.33 -0.34 0.00 0.00 178.44 179.49 3dt3 h GLU 385 N 0.24 1.24 -0.47 1.25 5.08 -1.51 0.80 114.58 121.22 3dt3 h GLU 385 Ca -0.12 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 3dt3 h GLU 385 Cb 1.72 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 3dt3 h GLU 385 CO 0.19 0.82 0.07 0.82 -1.00 0.00 0.00 179.01 179.91 3dt3 h ILE 386 N 1.28 1.25 -0.51 3.13 2.04 -0.64 -0.31 117.51 123.73 3dt3 h ILE 386 Ca 0.35 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 3dt3 h ILE 386 Cb -0.14 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3dt3 h ILE 386 CO -0.08 0.32 0.18 -0.07 0.00 0.00 0.00 178.15 178.51 3dt3 h LEU 387 N 0.64 0.73 -0.42 1.44 3.38 -0.92 -2.58 115.31 117.58 3dt3 h LEU 387 Ca 0.14 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3dt3 h LEU 387 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3dt3 h LEU 387 CO 0.01 0.72 0.14 0.24 0.09 0.00 0.00 178.44 179.64 3dt3 h MET 388 N 0.70 0.65 -0.27 1.13 2.86 -0.66 -0.48 114.93 118.86 3dt3 h MET 388 Ca 0.17 -0.14 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 3dt3 h MET 388 Cb 0.24 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3dt3 h MET 388 CO -0.01 0.64 -0.21 0.97 1.06 0.00 0.00 176.91 179.36 3dt3 h ILE 389 N 0.54 1.25 -0.18 -1.22 2.10 -1.03 0.16 117.51 119.14 3dt3 h ILE 389 Ca 0.14 -1.19 -0.01 0.00 1.08 0.00 0.00 64.86 64.88 3dt3 h ILE 389 Cb 0.25 1.27 -0.01 0.00 -1.09 0.00 0.00 36.82 37.24 3dt3 h ILE 389 CO -0.01 0.38 0.09 1.23 -1.08 0.00 0.00 178.15 178.76 3dt3 h GLY 390 N 0.99 0.28 0.59 8.18 0.00 -1.27 -0.91 103.07 110.92 3dt3 h GLY 390 Ca 0.07 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.30 3dt3 h GLY 390 CO 0.04 0.13 -0.07 -2.00 0.00 0.00 0.00 176.54 174.65 3dt3 h LEU 391 N 0.16 -0.24 -0.74 3.11 5.85 -0.54 -0.11 115.31 122.80 3dt3 h LEU 391 Ca 0.06 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3dt3 h LEU 391 Cb 0.12 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3dt3 h LEU 391 CO -0.01 -0.09 0.48 0.58 -0.34 0.00 0.00 178.44 179.06 3dt3 h VAL 392 N -0.04 1.15 0.03 1.05 2.07 -0.64 -0.77 116.25 119.10 3dt3 h VAL 392 Ca 0.09 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3dt3 h VAL 392 Cb 0.18 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3dt3 h VAL 392 CO -0.21 0.17 -0.02 -0.25 0.02 0.00 0.00 177.57 177.29 3dt3 h TRP 393 N 0.96 -0.04 -0.52 1.57 2.91 -0.80 -2.21 115.95 117.82 3dt3 h TRP 393 Ca 0.28 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.33 3dt3 h TRP 393 Cb -0.06 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.58 3dt3 h TRP 393 CO -0.03 0.10 0.35 0.00 -1.03 0.00 0.00 178.44 177.83 3dt3 h ARG 394 N -0.18 0.56 -0.00 2.65 3.08 -0.71 -2.64 114.38 117.14 3dt3 h ARG 394 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3dt3 h ARG 394 Cb 0.17 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3dt3 h ARG 394 CO 0.01 0.37 -0.18 0.43 -1.07 0.00 0.00 179.97 179.53 3dt3 n SER 395 N -4.47 0.40 -0.25 7.04 7.64 -0.32 -4.35 113.62 119.30 3dt3 n SER 395 Ca 0.06 -0.27 0.05 0.00 1.01 0.00 0.00 58.87 59.72 3dt3 n SER 395 Cb 0.15 -0.09 0.18 0.00 -1.01 0.00 0.00 64.21 63.45 3dt3 n SER 395 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3dt3 h MET 396 N 0.34 0.35 -0.69 1.43 -1.53 -1.01 -0.04 114.93 113.77 3dt3 h MET 396 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 3dt3 h MET 396 Cb 0.43 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.40 3dt3 h MET 396 CO 0.00 0.23 0.00 0.39 0.14 0.00 0.00 176.91 177.67 3dt3 n GLU 397 N -5.08 3.12 -3.42 0.39 -0.58 -1.26 -4.50 120.64 109.31 3dt3 n GLU 397 Ca 0.14 -1.86 -0.26 0.00 -0.42 0.00 0.00 57.16 54.76 3dt3 n GLU 397 Cb 0.44 -1.85 -0.09 0.00 -0.57 0.00 0.00 31.44 29.37 3dt3 n GLU 397 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3dt3 n HIS 398 N 0.47 1.40 -1.69 -0.32 8.25 -0.03 -5.11 115.22 118.19 3dt3 n HIS 398 Ca 0.17 -3.83 -0.43 0.00 -0.26 0.00 0.00 57.72 53.36 3dt3 n HIS 398 Cb 0.74 -0.35 -0.02 0.00 1.12 0.00 0.00 29.99 31.49 3dt3 n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3dt3 n PRO 399 N 1.59 2.10 -0.97 -0.41 -0.02 -1.26 -1.62 135.00 134.41 3dt3 n PRO 399 Ca 0.25 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3dt3 n PRO 399 Cb 0.45 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3dt3 n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dt3 n GLY 400 N 1.47 0.41 3.11 -1.23 0.00 -1.26 -5.00 105.19 102.68 3dt3 n GLY 400 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 3dt3 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dt3 s LYS 401 N -0.56 0.66 -0.24 1.61 1.02 -0.64 -4.04 119.74 117.55 3dt3 s LYS 401 Ca 0.00 -0.93 -0.02 0.00 0.02 0.00 0.00 55.97 55.04 3dt3 s LYS 401 Cb 0.00 -0.37 0.02 0.00 -0.52 0.00 0.00 37.83 36.96 3dt3 s LYS 401 CO 0.00 0.06 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.91 3dt3 s LEU 402 N -1.96 3.07 -1.02 3.17 1.43 0.47 -4.84 118.68 119.00 3dt3 s LEU 402 Ca -0.03 -0.81 -0.19 0.00 -1.03 0.00 0.00 54.13 52.06 3dt3 s LEU 402 Cb -0.06 -1.65 0.10 0.00 0.03 0.00 0.00 46.19 44.61 3dt3 s LEU 402 CO -0.00 -0.11 1.31 -0.22 0.23 0.00 0.00 176.35 177.56 3dt3 s LEU 403 N 1.33 4.46 0.10 1.79 0.20 -1.26 -1.83 118.68 123.47 3dt3 s LEU 403 Ca 0.01 -1.99 -0.16 0.00 0.69 0.00 0.00 54.13 52.68 3dt3 s LEU 403 Cb -0.16 -2.47 -0.07 0.00 -0.43 0.00 0.00 46.19 43.06 3dt3 s LEU 403 CO -0.05 -1.18 1.48 -0.26 -0.29 0.00 0.00 176.35 176.05 3dt3 h PHE 404 N 8.86 0.67 -4.03 5.38 -1.00 -1.48 -3.42 116.94 121.92 3dt3 h PHE 404 Ca 0.21 -0.15 -0.12 0.00 2.81 0.00 0.00 57.97 60.72 3dt3 h PHE 404 Cb 0.99 -0.16 -0.13 0.00 3.61 0.00 0.00 35.95 40.26 3dt3 h PHE 404 CO 1.22 0.79 -0.42 0.00 -1.61 0.00 0.00 178.31 178.29 3dt3 s ALA 405 N -4.72 0.21 0.59 2.45 0.00 -0.95 -4.97 121.76 114.38 3dt3 s ALA 405 Ca -0.13 -1.02 0.29 0.00 0.00 0.00 0.00 51.96 51.10 3dt3 s ALA 405 Cb 0.08 0.80 1.64 0.00 0.00 0.00 0.00 23.12 25.65 3dt3 s ALA 405 CO 0.79 -0.58 2.08 -1.35 0.00 0.00 0.00 175.76 176.69 3dt3 h PRO 406 N 2.67 0.00 -0.45 0.00 0.11 -1.89 0.66 132.00 133.09 3dt3 h PRO 406 Ca -0.33 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.66 3dt3 h PRO 406 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3dt3 h PRO 406 CO 0.52 0.00 0.08 0.27 -0.21 0.00 0.00 178.00 178.66 3dt3 n ASN 407 N -3.77 3.84 -3.07 -2.05 6.94 -1.26 -4.73 115.26 111.16 3dt3 n ASN 407 Ca 0.02 -3.29 -0.13 0.00 -0.02 0.00 0.00 54.58 51.17 3dt3 n ASN 407 Cb 0.36 -0.64 -0.04 0.00 -2.36 0.00 0.00 39.78 37.11 3dt3 n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3dt3 s LEU 408 N -3.00 -0.39 -0.28 -4.53 2.96 0.22 -4.82 118.68 108.85 3dt3 s LEU 408 Ca 0.47 -2.07 -0.03 0.00 -0.22 0.00 0.00 54.13 52.29 3dt3 s LEU 408 Cb 0.39 1.00 0.03 0.00 0.50 0.00 0.00 46.19 48.12 3dt3 s LEU 408 CO 0.08 -0.12 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.76 3dt3 s LEU 409 N 0.76 3.56 0.09 -0.68 2.96 -1.25 -1.14 118.68 122.98 3dt3 s LEU 409 Ca 0.28 -0.97 0.07 0.00 -0.22 0.00 0.00 54.13 53.29 3dt3 s LEU 409 Cb -0.01 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3dt3 s LEU 409 CO -0.09 -0.19 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.87 3dt3 s LEU 410 N 1.34 2.94 0.50 -0.68 1.43 -0.76 -4.92 118.68 118.52 3dt3 s LEU 410 Ca -0.01 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 3dt3 s LEU 410 Cb -0.18 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.33 3dt3 s LEU 410 CO -0.02 0.20 0.45 1.51 0.23 0.00 0.00 176.35 178.72 3dt3 s ASP 411 N -2.02 4.85 0.16 2.29 1.47 -1.26 -0.40 116.67 121.75 3dt3 s ASP 411 Ca 0.19 -1.00 -0.21 0.00 1.18 0.00 0.00 52.55 52.72 3dt3 s ASP 411 Cb -0.11 0.02 0.07 0.00 -0.34 0.00 0.00 42.92 42.56 3dt3 s ASP 411 CO 0.11 -0.97 1.63 -0.09 0.68 0.00 0.00 175.17 176.54 3dt3 h ARG 412 N 0.78 -0.17 0.00 2.11 2.43 -1.98 -2.21 114.38 115.34 3dt3 h ARG 412 Ca -0.37 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3dt3 h ARG 412 Cb 1.29 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3dt3 h ARG 412 CO 0.55 -0.11 0.00 -2.95 -1.51 0.00 0.00 179.97 175.95 3dt3 h ASN 413 N -0.18 0.00 0.74 -3.80 7.08 -1.96 0.18 115.58 117.64 3dt3 h ASN 413 Ca 0.17 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 53.27 3dt3 h ASN 413 Cb 0.44 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.66 3dt3 h ASN 413 CO -0.44 0.00 -0.57 1.56 -2.08 0.00 0.00 177.43 175.90 3dt3 h GLN 414 N 0.00 0.00 -0.67 4.14 4.20 -1.81 -3.18 115.11 117.79 3dt3 h GLN 414 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3dt3 h GLN 414 Cb 0.42 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3dt3 h GLN 414 CO 0.00 0.57 0.32 0.78 -0.67 0.00 0.00 178.83 179.84 3dt3 h GLY 415 N 2.06 1.02 -0.70 3.46 0.00 -0.40 -3.14 103.07 105.36 3dt3 h GLY 415 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3dt3 h GLY 415 CO 0.07 0.46 0.00 0.58 0.00 0.00 0.00 176.54 177.65 3dt3 n LYS 416 N -4.34 0.16 -0.08 4.80 0.00 -1.12 -2.56 118.16 115.02 3dt3 n LYS 416 Ca 0.06 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.15 3dt3 n LYS 416 Cb 0.13 -1.06 -0.12 0.00 -0.00 0.00 0.00 35.03 33.99 3dt3 n LYS 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dt3 s VAL 418 N -2.43 5.12 0.17 0.00 1.01 -1.06 -5.04 120.40 118.17 3dt3 s VAL 418 Ca -0.29 0.93 -0.32 0.00 0.00 0.00 0.00 61.98 62.30 3dt3 s VAL 418 Cb 0.07 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 3dt3 s VAL 418 CO 0.62 0.19 1.66 -1.83 0.00 0.00 0.00 175.10 175.74 3dt3 s GLU 419 N 1.56 4.17 0.00 2.72 1.03 -1.26 -1.97 118.70 124.95 3dt3 s GLU 419 Ca 0.24 2.48 0.00 0.00 0.03 0.00 0.00 54.97 57.71 3dt3 s GLU 419 Cb -0.15 -3.19 0.00 0.00 -0.80 0.00 0.00 34.13 29.99 3dt3 s GLU 419 CO 0.09 -0.69 0.00 0.41 -1.33 0.00 0.00 175.26 173.74 3dt3 n GLY 420 N 3.90 2.94 0.20 -3.83 0.00 -1.26 -4.90 105.19 102.23 3dt3 n GLY 420 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 3dt3 n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3dt3 h MET 421 N 2.66 0.00 -0.57 1.61 -1.53 -1.64 -3.20 114.93 112.26 3dt3 h MET 421 Ca 0.00 0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.21 3dt3 h MET 421 Cb 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.03 3dt3 h MET 421 CO 0.00 0.33 0.15 0.28 0.14 0.00 0.00 176.91 177.82 3dt3 h VAL 422 N 0.00 1.24 -0.68 -5.77 2.07 -1.76 -0.20 116.25 111.15 3dt3 h VAL 422 Ca -0.00 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3dt3 h VAL 422 Cb 0.66 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3dt3 h VAL 422 CO 0.04 0.32 0.43 -0.08 0.02 0.00 0.00 177.57 178.30 3dt3 h GLU 423 N 0.81 0.92 -0.34 1.57 4.81 -1.96 -1.43 114.58 118.96 3dt3 h GLU 423 Ca 0.18 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 3dt3 h GLU 423 Cb 0.32 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3dt3 h GLU 423 CO -0.00 0.64 -0.31 0.82 -0.73 0.00 0.00 179.01 179.42 3dt3 h ILE 424 N 0.93 1.29 -0.35 2.32 2.04 -1.61 -2.94 117.51 119.18 3dt3 h ILE 424 Ca 0.25 -1.48 0.07 0.00 1.00 0.00 0.00 64.86 64.70 3dt3 h ILE 424 Cb -0.06 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 3dt3 h ILE 424 CO -0.05 0.49 -0.13 0.15 0.00 0.00 0.00 178.15 178.61 3dt3 h PHE 425 N 0.59 -0.29 -0.84 1.37 3.04 -0.70 -0.95 116.94 119.15 3dt3 h PHE 425 Ca 0.06 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 3dt3 h PHE 425 Cb 0.89 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.55 3dt3 h PHE 425 CO 0.07 -0.20 0.45 -0.44 -2.02 0.00 0.00 178.31 176.17 3dt3 h ASP 426 N -0.06 1.06 -0.73 0.41 3.32 -1.24 -0.84 116.42 118.34 3dt3 h ASP 426 Ca 0.17 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 3dt3 h ASP 426 Cb 0.32 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3dt3 h ASP 426 CO -0.39 0.86 0.21 0.24 -1.72 0.00 0.00 179.24 178.45 3dt3 h MET 427 N 1.18 1.15 -0.27 3.56 2.86 -1.29 -2.06 114.93 120.06 3dt3 h MET 427 Ca 0.29 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 3dt3 h MET 427 Cb 0.05 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3dt3 h MET 427 CO -0.05 0.99 -0.10 -0.07 1.06 0.00 0.00 176.91 178.74 3dt3 h LEU 428 N 1.10 0.56 -0.69 1.22 3.38 -0.51 -2.12 115.31 118.24 3dt3 h LEU 428 Ca 0.23 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.88 3dt3 h LEU 428 Cb 0.33 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3dt3 h LEU 428 CO -0.00 0.82 0.38 -0.07 0.09 0.00 0.00 178.44 179.66 3dt3 h LEU 429 N 0.29 0.56 -0.70 1.67 3.38 -1.13 -0.98 115.31 118.39 3dt3 h LEU 429 Ca 0.06 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3dt3 h LEU 429 Cb 0.60 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3dt3 h LEU 429 CO 0.03 0.35 0.29 0.00 0.09 0.00 0.00 178.44 179.21 3dt3 h ALA 430 N 1.37 0.91 -0.59 1.53 0.00 -1.20 0.19 119.26 121.48 3dt3 h ALA 430 Ca 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3dt3 h ALA 430 Cb 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3dt3 h ALA 430 CO -0.20 0.52 0.25 1.15 0.00 0.00 0.00 179.25 180.97 3dt3 h THR 431 N 1.00 1.22 -0.77 0.00 2.02 -1.07 -1.28 112.91 114.03 3dt3 h THR 431 Ca 0.24 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 3dt3 h THR 431 Cb 0.19 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 3dt3 h THR 431 CO -0.02 0.26 0.33 -1.28 0.37 0.00 0.00 175.52 175.18 3dt3 h SER 432 N 0.80 1.04 -0.34 4.18 0.87 -0.54 -0.37 113.55 119.19 3dt3 h SER 432 Ca 0.20 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3dt3 h SER 432 Cb 0.17 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3dt3 h SER 432 CO -0.02 0.91 0.14 0.28 -0.53 0.00 0.00 176.83 177.61 3dt3 h SER 433 N 1.10 0.51 0.05 6.23 0.02 -0.45 -1.81 113.55 119.19 3dt3 h SER 433 Ca 0.26 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3dt3 h SER 433 Cb 0.18 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3dt3 h SER 433 CO -0.03 0.48 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.03 3dt3 h ARG 434 N 0.56 -0.07 -0.94 3.45 9.65 -0.31 0.34 114.38 127.06 3dt3 h ARG 434 Ca 0.14 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.21 3dt3 h ARG 434 Cb 0.14 0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 28.63 3dt3 h ARG 434 CO -0.01 0.40 0.51 0.74 2.80 0.00 0.00 179.97 184.40 3dt3 h PHE 435 N -0.57 0.88 -0.24 2.20 -1.00 -1.08 0.02 116.94 117.16 3dt3 h PHE 435 Ca -0.01 0.04 -0.07 0.00 2.81 0.00 0.00 57.97 60.73 3dt3 h PHE 435 Cb 0.50 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 3dt3 h PHE 435 CO 0.09 0.13 -0.14 -0.09 -1.61 0.00 0.00 178.31 176.70 3dt3 h ARG 436 N 0.62 0.52 -0.62 1.51 2.43 -1.09 -0.52 114.38 117.22 3dt3 h ARG 436 Ca 0.55 -0.24 0.04 0.00 -0.81 0.00 0.00 59.98 59.52 3dt3 h ARG 436 Cb 0.91 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 3dt3 h ARG 436 CO -0.42 0.79 0.37 1.98 -1.51 0.00 0.00 179.97 181.18 3dt3 h MET 437 N 0.24 0.70 0.00 0.20 4.05 -0.30 -1.80 114.93 118.01 3dt3 h MET 437 Ca 0.05 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3dt3 h MET 437 Cb 0.65 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 3dt3 h MET 437 CO 0.04 0.46 0.00 -1.33 0.23 0.00 0.00 176.91 176.31 3dt3 n MET 438 N -4.75 0.27 -3.91 0.39 2.81 -0.06 -4.91 117.12 106.96 3dt3 n MET 438 Ca 0.06 0.07 -0.39 0.00 -1.81 0.00 0.00 57.70 55.63 3dt3 n MET 438 Cb 0.10 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.14 3dt3 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3dt3 n ASN 439 N -1.33 -4.67 -4.70 7.83 5.15 -0.59 -4.88 115.26 112.08 3dt3 n ASN 439 Ca 0.10 -1.16 -0.44 0.00 -0.60 0.00 0.00 54.58 52.48 3dt3 n ASN 439 Cb 0.20 -2.28 -0.03 0.00 -0.53 0.00 0.00 39.78 37.15 3dt3 n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3dt3 n LEU 440 N -4.49 3.56 -4.93 1.20 7.94 -0.31 -5.00 117.00 114.97 3dt3 n LEU 440 Ca -0.12 1.12 -0.27 0.00 -1.11 0.00 0.00 56.01 55.63 3dt3 n LEU 440 Cb 0.58 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 43.01 3dt3 n LEU 440 CO 0.71 -0.20 0.00 -1.10 -1.11 0.00 0.00 177.39 175.69 3dt3 s GLN 441 N -0.02 3.50 0.29 1.96 -1.52 -1.26 -4.97 119.66 117.64 3dt3 s GLN 441 Ca 0.70 -0.39 0.01 0.00 -1.95 0.00 0.00 55.36 53.73 3dt3 s GLN 441 Cb -0.60 -2.86 0.56 0.00 -0.22 0.00 0.00 33.01 29.89 3dt3 s GLN 441 CO 0.45 0.42 1.85 0.78 -0.25 0.00 0.00 175.29 178.54 3dt3 h GLY 442 N 2.01 1.58 1.55 3.09 0.00 -1.99 -0.28 103.07 109.04 3dt3 h GLY 442 Ca -0.48 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.35 3dt3 h GLY 442 CO 0.68 0.18 -0.12 0.83 0.00 0.00 0.00 176.54 178.12 3dt3 h GLU 443 N 1.00 0.54 -0.10 4.80 3.07 -1.98 -2.00 114.58 119.91 3dt3 h GLU 443 Ca 0.48 -0.16 -0.13 0.00 -0.50 0.00 0.00 59.36 59.06 3dt3 h GLU 443 Cb 0.46 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.32 3dt3 h GLU 443 CO -0.24 0.65 -0.45 0.93 -1.40 0.00 0.00 179.01 178.50 3dt3 h GLU 444 N 0.50 0.47 -0.32 2.33 5.08 -1.74 -3.15 114.58 117.75 3dt3 h GLU 444 Ca 0.09 -0.38 0.07 0.00 -1.00 0.00 0.00 59.36 58.14 3dt3 h GLU 444 Cb 0.50 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 3dt3 h GLU 444 CO 0.03 1.01 -0.18 0.35 -1.00 0.00 0.00 179.01 179.22 3dt3 h PHE 445 N 0.05 -0.46 -0.54 4.33 3.57 -0.75 -1.16 116.94 121.99 3dt3 h PHE 445 Ca -0.03 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3dt3 h PHE 445 Cb 1.09 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 40.06 3dt3 h PHE 445 CO 0.12 -0.26 0.19 -0.39 -2.23 0.00 0.00 178.31 175.74 3dt3 h VAL 446 N -0.14 1.21 -0.41 1.41 -1.51 -1.47 -0.99 116.25 114.36 3dt3 h VAL 446 Ca 0.17 -0.67 0.02 0.00 -1.23 0.00 0.00 66.70 64.99 3dt3 h VAL 446 Cb 0.39 0.59 -0.03 0.00 -2.13 0.00 0.00 31.29 30.11 3dt3 h VAL 446 CO -0.41 0.26 0.23 0.00 -1.23 0.00 0.00 177.57 176.42 3dt3 h LEU 448 N 0.46 0.84 -0.68 0.00 3.38 -0.32 -1.28 115.31 117.71 3dt3 h LEU 448 Ca 0.17 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3dt3 h LEU 448 Cb 0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3dt3 h LEU 448 CO -0.09 0.83 0.45 0.50 0.09 0.00 0.00 178.44 180.22 3dt3 h LYS 449 N 0.81 0.89 -0.54 1.13 3.64 -1.12 -0.95 116.57 120.42 3dt3 h LYS 449 Ca 0.18 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 3dt3 h LYS 449 Cb 0.29 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3dt3 h LYS 449 CO -0.00 0.59 -0.02 0.77 -2.27 0.00 0.00 179.45 178.51 3dt3 h SER 450 N 0.91 0.91 -0.65 4.20 0.02 -1.06 -2.01 113.55 115.87 3dt3 h SER 450 Ca 0.25 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3dt3 h SER 450 Cb -0.10 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.16 3dt3 h SER 450 CO -0.06 0.99 0.40 0.40 -1.14 0.00 0.00 176.83 177.42 3dt3 h ILE 451 N 0.86 1.07 -0.27 3.27 2.04 -0.77 -1.84 117.51 121.87 3dt3 h ILE 451 Ca 0.15 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.78 3dt3 h ILE 451 Cb 0.54 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3dt3 h ILE 451 CO 0.03 0.14 0.07 0.40 0.00 0.00 0.00 178.15 178.79 3dt3 h ILE 452 N 0.78 0.90 -0.44 -0.67 2.04 -0.69 0.32 117.51 119.76 3dt3 h ILE 452 Ca 0.26 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 66.14 3dt3 h ILE 452 Cb 0.03 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 3dt3 h ILE 452 CO -0.11 0.03 0.07 0.25 0.00 0.00 0.00 178.15 178.39 3dt3 h LEU 453 N 0.18 -0.04 0.00 1.44 5.85 -1.14 -2.61 115.31 118.99 3dt3 h LEU 453 Ca 0.12 0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.72 3dt3 h LEU 453 Cb 0.11 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3dt3 h LEU 453 CO -0.14 0.01 -1.03 -0.07 -0.34 0.00 0.00 178.44 176.87 3dt3 h LEU 454 N 0.19 0.00 0.00 2.25 3.38 -0.86 -3.37 115.31 116.91 3dt3 h LEU 454 Ca 0.22 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 3dt3 h LEU 454 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3dt3 h LEU 454 CO -0.30 0.92 -1.34 -3.20 0.09 0.00 0.00 178.44 174.60 3dt3 n ASN 455 N -3.28 0.82 0.17 -0.43 5.15 0.11 -4.25 115.26 113.55 3dt3 n ASN 455 Ca -0.02 0.35 0.08 0.00 -0.60 0.00 0.00 54.58 54.39 3dt3 n ASN 455 Cb 0.92 0.30 0.09 0.00 -0.53 0.00 0.00 39.78 40.56 3dt3 n ASN 455 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3dt3 h SER 456 N 0.00 0.00 0.08 1.20 0.02 -1.63 -3.22 113.55 110.01 3dt3 h SER 456 Ca -0.12 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.61 3dt3 h SER 456 Cb 1.43 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.93 3dt3 h SER 456 CO 0.03 0.18 -2.14 0.61 -1.14 0.00 0.00 176.83 174.37 3dt3 n GLY 457 N 1.16 -1.02 0.36 -3.77 0.00 -1.26 -4.70 105.19 95.96 3dt3 n GLY 457 Ca 0.02 -0.37 0.23 0.00 0.00 0.00 0.00 46.02 45.90 3dt3 n GLY 457 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3dt3 h VAL 458 N 0.00 0.39 0.00 1.61 -1.51 -1.73 0.60 116.25 115.61 3dt3 h VAL 458 Ca -0.31 -0.14 -0.04 0.00 -1.23 0.00 0.00 66.70 64.98 3dt3 h VAL 458 Cb 1.74 -0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 3dt3 h VAL 458 CO 0.02 0.07 -0.21 1.88 -1.23 0.00 0.00 177.57 178.11 3dt3 h TYR 459 N 0.39 0.00 -1.00 5.19 0.99 -1.84 -3.31 116.97 117.40 3dt3 h TYR 459 Ca 0.70 0.00 -0.63 0.00 2.00 0.00 0.00 58.73 60.80 3dt3 h TYR 459 Cb 1.59 0.00 -0.35 0.00 1.00 0.00 0.00 36.73 38.97 3dt3 h TYR 459 CO -0.01 0.21 0.10 0.25 -0.00 0.00 0.00 178.16 178.71 3dt3 n THR 460 N -3.19 3.11 -0.47 -2.88 -2.24 0.20 -5.10 114.28 103.71 3dt3 n THR 460 Ca 0.02 -3.68 0.00 0.00 -2.27 0.00 0.00 64.05 58.13 3dt3 n THR 460 Cb 0.56 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 3dt3 n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3dt3 n PHE 461 N -0.78 -2.04 0.00 4.78 3.72 -1.23 -5.06 117.46 116.85 3dt3 n PHE 461 Ca 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.93 3dt3 n PHE 461 Cb 0.76 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 3dt3 n PHE 461 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3dt3 n SER 463 N -1.58 0.00 -2.88 4.37 3.41 -1.26 -5.09 113.62 110.60 3dt3 n SER 463 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 3dt3 n SER 463 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3dt3 n SER 463 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dt3 n SER 464 N 0.00 1.93 -4.83 4.04 3.41 -1.26 -4.89 113.62 112.02 3dt3 n SER 464 Ca 0.00 -3.05 -0.32 0.00 -0.26 0.00 0.00 58.87 55.24 3dt3 n SER 464 Cb 0.00 -0.56 0.01 0.00 -0.26 0.00 0.00 64.21 63.40 3dt3 n SER 464 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3dt3 s THR 465 N -3.28 4.29 0.30 6.66 -4.23 -1.26 -4.80 115.64 113.32 3dt3 s THR 465 Ca 0.37 0.92 0.04 0.00 -1.18 0.00 0.00 61.69 61.84 3dt3 s THR 465 Cb 0.39 -3.61 0.30 0.00 1.34 0.00 0.00 72.50 70.92 3dt3 s THR 465 CO -0.05 -0.80 1.81 0.25 -0.54 0.00 0.00 174.62 175.29 3dt3 h LEU 466 N 0.12 0.84 0.08 4.79 5.85 -1.99 0.69 115.31 125.70 3dt3 h LEU 466 Ca -0.45 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.35 3dt3 h LEU 466 Cb 1.20 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3dt3 h LEU 466 CO 0.60 0.38 -0.15 0.50 -0.34 0.00 0.00 178.44 179.43 3dt3 h LYS 467 N 0.87 -0.28 -0.60 1.25 3.64 -1.99 -0.53 116.57 118.93 3dt3 h LYS 467 Ca 0.53 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.92 3dt3 h LYS 467 Cb 0.70 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 3dt3 h LYS 467 CO -0.31 -0.19 0.33 1.03 -2.27 0.00 0.00 179.45 178.04 3dt3 h SER 468 N -0.29 0.72 -0.35 4.20 0.87 -0.71 -0.84 113.55 117.15 3dt3 h SER 468 Ca 0.02 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 3dt3 h SER 468 Cb 0.31 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3dt3 h SER 468 CO -0.08 0.58 0.06 -0.07 -0.53 0.00 0.00 176.83 176.79 3dt3 h LEU 469 N 0.82 0.55 -0.86 2.23 3.38 0.43 -1.92 115.31 119.94 3dt3 h LEU 469 Ca 0.21 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3dt3 h LEU 469 Cb 0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3dt3 h LEU 469 CO -0.04 0.66 0.57 -0.33 0.09 0.00 0.00 178.44 179.39 3dt3 h GLU 470 N 0.41 1.13 -0.58 1.13 5.08 -0.50 -1.81 114.58 119.43 3dt3 h GLU 470 Ca 0.11 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3dt3 h GLU 470 Cb 0.34 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3dt3 h GLU 470 CO 0.01 0.74 0.37 0.93 -1.00 0.00 0.00 179.01 180.06 3dt3 h GLU 471 N 1.16 0.71 -0.44 2.33 4.39 -1.02 -2.29 114.58 119.41 3dt3 h GLU 471 Ca 0.31 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.87 3dt3 h GLU 471 Cb -0.13 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.34 3dt3 h GLU 471 CO -0.07 0.47 -0.13 0.87 -1.16 0.00 0.00 179.01 179.00 3dt3 h LYS 472 N 0.73 0.81 -0.58 2.33 1.79 -0.86 -2.14 116.57 118.65 3dt3 h LYS 472 Ca 0.23 -0.28 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 3dt3 h LYS 472 Cb -0.02 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.54 3dt3 h LYS 472 CO -0.08 0.89 0.28 0.22 -1.08 0.00 0.00 179.45 179.68 3dt3 h ASP 473 N 0.72 0.77 -0.38 0.86 3.58 -1.15 -2.37 116.42 118.45 3dt3 h ASP 473 Ca 0.12 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 3dt3 h ASP 473 Cb 0.62 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3dt3 h ASP 473 CO 0.04 0.69 0.19 -0.74 -2.88 0.00 0.00 179.24 176.54 3dt3 h HIS 474 N 0.79 0.54 -0.95 0.28 2.76 -1.20 -2.08 115.15 115.31 3dt3 h HIS 474 Ca 0.20 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.40 3dt3 h HIS 474 Cb 0.13 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 28.86 3dt3 h HIS 474 CO -0.00 0.45 0.62 0.82 -1.30 0.00 0.00 177.93 178.52 3dt3 h ILE 475 N 0.48 1.12 0.00 6.26 2.04 -1.29 -1.59 117.51 124.54 3dt3 h ILE 475 Ca 0.13 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 3dt3 h ILE 475 Cb 0.10 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.04 3dt3 h ILE 475 CO -0.02 0.21 -0.59 0.45 0.00 0.00 0.00 178.15 178.20 3dt3 h HIS 476 N 1.14 0.00 -0.30 1.37 3.86 -1.10 -1.35 115.15 118.78 3dt3 h HIS 476 Ca 0.39 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.51 3dt3 h HIS 476 Cb 0.09 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 3dt3 h HIS 476 CO -0.00 0.59 -0.16 0.00 0.86 0.00 0.00 177.93 179.22 3dt3 h ARG 477 N 0.00 0.63 -0.39 2.45 3.08 -0.77 -1.40 114.38 117.97 3dt3 h ARG 477 Ca -0.01 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 3dt3 h ARG 477 Cb 1.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 3dt3 h ARG 477 CO 0.08 0.87 0.06 0.28 -1.07 0.00 0.00 179.97 180.19 3dt3 h VAL 478 N 0.38 1.24 -0.86 2.04 2.07 -1.18 -1.50 116.25 118.45 3dt3 h VAL 478 Ca 0.06 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.75 3dt3 h VAL 478 Cb 0.69 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 3dt3 h VAL 478 CO 0.05 0.30 0.55 -0.07 0.02 0.00 0.00 177.57 178.42 3dt3 h LEU 479 N 0.50 0.92 -1.16 2.57 3.38 -1.26 -0.26 115.31 119.99 3dt3 h LEU 479 Ca 0.12 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3dt3 h LEU 479 Cb 0.37 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3dt3 h LEU 479 CO 0.01 0.63 0.57 0.44 0.09 0.00 0.00 178.44 180.18 3dt3 h ASP 480 N 1.08 0.95 -0.36 -0.43 3.32 -0.97 -1.01 116.42 118.99 3dt3 h ASP 480 Ca 0.34 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.29 3dt3 h ASP 480 Cb 0.01 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3dt3 h ASP 480 CO -0.12 0.66 -0.10 0.11 -1.72 0.00 0.00 179.24 178.08 3dt3 h LYS 481 N 1.11 0.79 -0.31 3.56 1.79 -0.10 -0.91 116.57 122.51 3dt3 h LYS 481 Ca 0.33 -0.26 -0.12 0.00 -2.18 0.00 0.00 60.65 58.43 3dt3 h LYS 481 Cb -0.03 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 3dt3 h LYS 481 CO -0.09 0.86 -0.26 0.82 -1.08 0.00 0.00 179.45 179.70 3dt3 h ILE 482 N 0.72 1.30 -0.13 1.86 2.04 -0.65 -0.14 117.51 122.50 3dt3 h ILE 482 Ca 0.12 -1.42 0.05 0.00 1.00 0.00 0.00 64.86 64.61 3dt3 h ILE 482 Cb 0.58 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 38.13 3dt3 h ILE 482 CO 0.04 0.46 -0.27 0.74 0.00 0.00 0.00 178.15 179.12 3dt3 h THR 483 N 0.48 0.37 -0.80 -0.27 2.02 -1.09 0.35 112.91 113.97 3dt3 h THR 483 Ca 0.05 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.42 3dt3 h THR 483 Cb 0.83 0.37 -0.14 0.00 -1.74 0.00 0.00 68.15 67.46 3dt3 h THR 483 CO 0.07 0.00 -0.04 0.44 0.37 0.00 0.00 175.52 176.36 3dt3 h ASP 484 N -0.34 -0.46 -0.31 4.18 3.32 -0.92 -0.15 116.42 121.73 3dt3 h ASP 484 Ca 0.10 0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 3dt3 h ASP 484 Cb 0.49 0.40 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3dt3 h ASP 484 CO -0.33 -0.22 0.07 0.74 -1.72 0.00 0.00 179.24 177.78 3dt3 h THR 485 N 0.07 1.22 -0.22 0.35 2.02 0.44 0.16 112.91 116.95 3dt3 h THR 485 Ca 0.43 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 66.90 3dt3 h THR 485 Cb 0.76 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 3dt3 h THR 485 CO -0.74 0.25 -0.07 -0.07 0.37 0.00 0.00 175.52 175.26 3dt3 h LEU 486 N 0.34 -0.25 -0.65 2.58 3.38 0.52 -0.44 115.31 120.79 3dt3 h LEU 486 Ca 0.10 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3dt3 h LEU 486 Cb 0.31 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3dt3 h LEU 486 CO 0.00 -0.09 0.42 0.40 0.09 0.00 0.00 178.44 179.26 3dt3 h ILE 487 N -0.02 1.13 -0.91 1.22 1.08 -0.84 -2.35 117.51 116.82 3dt3 h ILE 487 Ca 0.11 -0.29 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3dt3 h ILE 487 Cb 0.19 0.21 -0.05 0.00 -3.07 0.00 0.00 36.82 34.11 3dt3 h ILE 487 CO -0.24 0.15 0.60 -0.74 -0.69 0.00 0.00 178.15 177.23 3dt3 h HIS 488 N 0.85 1.14 0.20 1.37 2.76 -0.50 -0.91 115.15 120.06 3dt3 h HIS 488 Ca 0.25 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 3dt3 h HIS 488 Cb -0.05 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 28.53 3dt3 h HIS 488 CO -0.04 0.71 -0.11 -0.07 -1.30 0.00 0.00 177.93 177.12 3dt3 h LEU 489 N 1.22 -0.26 -0.85 0.26 3.38 -0.65 0.21 115.31 118.61 3dt3 h LEU 489 Ca 0.34 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.33 3dt3 h LEU 489 Cb -0.12 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3dt3 h LEU 489 CO -0.08 -0.18 0.56 0.24 0.09 0.00 0.00 178.44 179.08 3dt3 h MET 490 N -0.29 1.11 -0.26 1.13 2.86 -1.16 0.22 114.93 118.54 3dt3 h MET 490 Ca -0.02 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3dt3 h MET 490 Cb 0.23 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3dt3 h MET 490 CO 0.03 0.74 0.15 0.00 1.06 0.00 0.00 176.91 178.89 3dt3 h ALA 491 N 1.32 0.34 0.00 6.32 0.00 -1.01 -1.94 119.26 124.28 3dt3 h ALA 491 Ca 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3dt3 h ALA 491 Cb -0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3dt3 h ALA 491 CO -0.07 -0.13 -0.02 -0.22 0.00 0.00 0.00 179.25 178.80 3dt3 h LYS 492 N 0.32 0.00 -0.01 0.00 3.64 0.26 -0.85 116.57 119.92 3dt3 h LYS 492 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3dt3 h LYS 492 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3dt3 h LYS 492 CO -0.02 0.02 0.00 0.00 -2.27 0.00 0.00 179.45 177.19 3dt3 n ALA 493 N -2.35 2.61 -0.70 5.00 0.00 0.71 -4.96 120.51 120.82 3dt3 n ALA 493 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3dt3 n ALA 493 Cb 0.11 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3dt3 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dt3 n GLY 494 N 1.11 0.59 3.81 0.00 0.00 -0.32 -5.05 105.19 105.33 3dt3 n GLY 494 Ca 0.20 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 3dt3 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dt3 s LEU 495 N 0.00 3.65 0.97 0.99 1.02 -0.95 -5.04 118.68 119.32 3dt3 s LEU 495 Ca 0.00 1.79 -0.12 0.00 0.02 0.00 0.00 54.13 55.81 3dt3 s LEU 495 Cb 0.00 -4.54 0.17 0.00 0.02 0.00 0.00 46.19 41.84 3dt3 s LEU 495 CO 0.00 -0.88 1.10 0.42 0.02 0.00 0.00 176.35 177.01 3dt3 s THR 496 N -2.34 2.18 0.18 5.49 -4.23 -1.26 -4.65 115.64 111.01 3dt3 s THR 496 Ca 0.63 0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 61.07 3dt3 s THR 496 Cb -0.14 -2.60 0.08 0.00 1.34 0.00 0.00 72.50 71.18 3dt3 s THR 496 CO 0.29 -0.08 1.82 -0.07 -0.54 0.00 0.00 174.62 176.05 3dt3 h LEU 497 N -1.76 0.68 -0.20 4.79 3.38 -1.98 0.12 115.31 120.33 3dt3 h LEU 497 Ca -0.53 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.42 3dt3 h LEU 497 Cb 1.32 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 3dt3 h LEU 497 CO 0.58 0.53 0.02 -0.61 0.09 0.00 0.00 178.44 179.04 3dt3 h GLN 498 N 0.77 0.09 -0.94 1.13 4.15 -1.99 -0.38 115.11 117.93 3dt3 h GLN 498 Ca 0.21 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.66 3dt3 h GLN 498 Cb -0.03 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.58 3dt3 h GLN 498 CO -0.04 0.06 0.61 1.96 -1.93 0.00 0.00 178.83 179.49 3dt3 h GLN 499 N 0.09 1.13 0.49 1.69 4.20 -1.84 0.49 115.11 121.35 3dt3 h GLN 499 Ca 0.09 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3dt3 h GLN 499 Cb 0.10 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3dt3 h GLN 499 CO -0.14 0.74 -0.23 1.96 -0.67 0.00 0.00 178.83 180.49 3dt3 h GLN 500 N 1.16 -0.63 -0.96 1.46 4.20 -0.26 0.17 115.11 120.25 3dt3 h GLN 500 Ca 0.39 0.04 0.07 0.00 0.06 0.00 0.00 58.65 59.21 3dt3 h GLN 500 Cb 0.05 0.14 -0.07 0.00 0.30 0.00 0.00 27.48 27.91 3dt3 h GLN 500 CO -0.14 -0.40 0.61 0.45 -0.67 0.00 0.00 178.83 178.69 3dt3 h HIS 501 N -0.69 1.14 -0.33 2.96 3.86 -0.85 0.14 115.15 121.38 3dt3 h HIS 501 Ca -0.07 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 3dt3 h HIS 501 Cb 0.52 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3dt3 h HIS 501 CO -0.03 0.58 0.04 1.96 0.86 0.00 0.00 177.93 181.33 3dt3 h GLN 502 N 1.11 0.56 -0.42 2.45 4.20 -0.69 -1.90 115.11 120.41 3dt3 h GLN 502 Ca 0.42 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.88 3dt3 h GLN 502 Cb 0.18 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3dt3 h GLN 502 CO -0.18 0.66 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.45 3dt3 h ARG 503 N 0.38 0.81 -0.31 1.46 2.43 -0.16 -0.16 114.38 118.83 3dt3 h ARG 503 Ca 0.10 -0.31 0.06 0.00 -0.81 0.00 0.00 59.98 59.02 3dt3 h ARG 503 Cb 0.38 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 3dt3 h ARG 503 CO 0.01 0.93 -0.03 1.25 -1.51 0.00 0.00 179.97 180.62 3dt3 h LEU 504 N 0.63 -0.19 -0.33 3.80 5.85 -0.71 -0.86 115.31 123.50 3dt3 h LEU 504 Ca 0.11 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3dt3 h LEU 504 Cb 0.63 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3dt3 h LEU 504 CO 0.04 -0.06 0.21 0.00 -0.34 0.00 0.00 178.44 178.29 3dt3 h ALA 505 N 1.29 0.42 -0.61 1.25 0.00 -1.11 -1.78 119.26 118.71 3dt3 h ALA 505 Ca 0.15 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3dt3 h ALA 505 Cb 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3dt3 h ALA 505 CO -0.28 -0.14 0.33 1.96 0.00 0.00 0.00 179.25 181.12 3dt3 h GLN 506 N 0.42 0.60 -0.18 0.00 4.20 -0.46 -1.31 115.11 118.37 3dt3 h GLN 506 Ca 0.13 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.60 3dt3 h GLN 506 Cb -0.02 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3dt3 h GLN 506 CO -0.04 0.40 -0.67 -0.07 -0.67 0.00 0.00 178.83 177.77 3dt3 h LEU 507 N 0.62 0.80 -0.83 1.46 3.38 -0.96 -3.09 115.31 116.67 3dt3 h LEU 507 Ca 0.27 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 3dt3 h LEU 507 Cb 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3dt3 h LEU 507 CO -0.17 1.25 -0.49 -0.07 0.09 0.00 0.00 178.44 179.05 3dt3 h LEU 508 N 0.50 0.23 -1.49 1.67 3.38 -1.12 -2.82 115.31 115.67 3dt3 h LEU 508 Ca -0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3dt3 h LEU 508 Cb 1.27 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3dt3 h LEU 508 CO 0.13 0.69 -0.14 -0.07 0.09 0.00 0.00 178.44 179.14 3dt3 h LEU 509 N 0.17 0.15 -1.40 1.67 3.38 -1.20 -2.07 115.31 116.01 3dt3 h LEU 509 Ca 0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3dt3 h LEU 509 Cb 0.94 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3dt3 h LEU 509 CO 0.08 0.31 -0.17 0.40 0.09 0.00 0.00 178.44 179.14 3dt3 h ILE 510 N 0.15 1.18 -0.93 1.22 2.04 -1.42 -1.42 117.51 118.33 3dt3 h ILE 510 Ca 0.03 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.16 3dt3 h ILE 510 Cb 0.35 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 3dt3 h ILE 510 CO 0.02 0.25 0.60 -0.07 0.00 0.00 0.00 178.15 178.95 3dt3 h LEU 511 N 0.17 0.85 -0.87 1.44 3.38 -1.34 -0.94 115.31 118.01 3dt3 h LEU 511 Ca 0.03 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3dt3 h LEU 511 Cb 0.41 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3dt3 h LEU 511 CO 0.03 0.50 0.54 0.28 0.09 0.00 0.00 178.44 179.87 3dt3 h SER 512 N 0.94 0.84 0.37 -0.43 0.02 -1.29 -1.17 113.55 112.83 3dt3 h SER 512 Ca 0.43 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 61.25 3dt3 h SER 512 Cb 0.40 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3dt3 h SER 512 CO -0.19 0.53 -0.62 0.45 -1.14 0.00 0.00 176.83 175.85 3dt3 h HIS 513 N 0.97 0.32 -0.69 3.45 3.86 -1.22 -1.98 115.15 119.86 3dt3 h HIS 513 Ca 0.38 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.40 3dt3 h HIS 513 Cb 0.19 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 3dt3 h HIS 513 CO -0.03 0.80 0.15 0.82 0.86 0.00 0.00 177.93 180.53 3dt3 h ILE 514 N 0.18 1.26 -0.46 2.45 2.04 -0.82 -1.13 117.51 121.04 3dt3 h ILE 514 Ca -0.01 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3dt3 h ILE 514 Cb 1.14 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3dt3 h ILE 514 CO 0.10 0.38 0.30 -0.09 0.00 0.00 0.00 178.15 178.84 3dt3 h ARG 515 N 1.05 0.60 -0.38 2.37 9.65 -1.03 -1.06 114.38 125.59 3dt3 h ARG 515 Ca 0.21 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.10 3dt3 h ARG 515 Cb 0.40 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.80 3dt3 h ARG 515 CO 0.01 0.40 0.14 1.25 2.80 0.00 0.00 179.97 184.57 3dt3 h HIS 516 N 0.62 0.25 -0.70 2.20 2.76 -1.08 -1.43 115.15 117.77 3dt3 h HIS 516 Ca 0.17 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.28 3dt3 h HIS 516 Cb -0.07 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.80 3dt3 h HIS 516 CO -0.04 0.11 0.16 0.52 -1.30 0.00 0.00 177.93 177.37 3dt3 h MET 517 N 0.30 1.13 -0.53 5.26 2.86 -0.89 -1.90 114.93 121.16 3dt3 h MET 517 Ca 0.17 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3dt3 h MET 517 Cb 0.14 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 3dt3 h MET 517 CO -0.17 1.00 0.30 1.03 1.06 0.00 0.00 176.91 180.13 3dt3 h SER 518 N 1.06 0.65 -0.50 1.22 0.87 -0.96 0.46 113.55 116.36 3dt3 h SER 518 Ca 0.22 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3dt3 h SER 518 Cb 0.39 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3dt3 h SER 518 CO 0.00 0.55 0.32 0.78 -0.53 0.00 0.00 176.83 177.95 3dt3 h ASN 519 N 0.71 0.59 -0.57 6.23 2.35 -1.02 0.18 115.58 124.05 3dt3 h ASN 519 Ca 0.19 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 3dt3 h ASN 519 Cb 0.03 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3dt3 h ASN 519 CO -0.03 0.44 -0.01 0.11 -1.65 0.00 0.00 177.43 176.29 3dt3 h LYS 520 N 0.68 1.03 -0.38 0.81 1.79 -1.03 -2.26 116.57 117.21 3dt3 h LYS 520 Ca 0.18 -0.33 0.05 0.00 -2.18 0.00 0.00 60.65 58.38 3dt3 h LYS 520 Cb -0.05 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.46 3dt3 h LYS 520 CO -0.04 1.02 0.11 0.78 -1.08 0.00 0.00 179.45 180.24 3dt3 h GLY 521 N 0.99 0.47 1.00 3.86 0.00 0.35 -0.64 103.07 109.10 3dt3 h GLY 521 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3dt3 h GLY 521 CO 0.03 0.00 0.30 -0.33 0.00 0.00 0.00 176.54 176.54 3dt3 h MET 522 N 0.25 0.61 -0.36 4.80 2.86 -0.51 0.10 114.93 122.68 3dt3 h MET 522 Ca 0.18 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 3dt3 h MET 522 Cb 0.18 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 3dt3 h MET 522 CO -0.21 0.42 0.06 0.93 1.06 0.00 0.00 176.91 179.18 3dt3 h GLU 523 N 0.62 0.18 -0.19 1.72 5.08 -1.13 0.19 114.58 121.04 3dt3 h GLU 523 Ca 0.17 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3dt3 h GLU 523 Cb -0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3dt3 h GLU 523 CO -0.03 0.12 0.12 1.25 -1.00 0.00 0.00 179.01 179.46 3dt3 h HIS 524 N 0.18 0.26 -0.47 4.33 2.76 -0.74 -1.83 115.15 119.65 3dt3 h HIS 524 Ca 0.17 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.20 3dt3 h HIS 524 Cb 0.20 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 3dt3 h HIS 524 CO -0.19 0.21 -0.25 -0.07 -1.30 0.00 0.00 177.93 176.33 3dt3 h LEU 525 N 0.23 1.02 0.00 0.26 3.38 -0.48 -2.77 115.31 116.94 3dt3 h LEU 525 Ca 0.07 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3dt3 h LEU 525 Cb 0.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3dt3 h LEU 525 CO -0.01 1.20 0.00 -1.22 0.09 0.00 0.00 178.44 178.50 3dt3 n TYR 526 N -4.10 0.00 0.17 1.13 4.01 0.62 -2.71 117.16 116.29 3dt3 n TYR 526 Ca -0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 3dt3 n TYR 526 Cb 0.47 -0.05 0.10 0.00 -0.31 0.00 0.00 39.34 39.55 3dt3 n TYR 526 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3dt3 h SER 527 N 0.00 0.00 -3.00 7.72 4.64 -1.03 -3.42 113.55 118.46 3dt3 h SER 527 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 3dt3 h SER 527 Cb 0.05 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 61.96 3dt3 h SER 527 CO 0.00 0.09 0.17 -0.04 -0.87 0.00 0.00 176.83 176.18 3dt3 s MET 528 N -3.20 3.09 -0.32 4.77 -1.94 -1.10 -5.12 119.30 115.49 3dt3 s MET 528 Ca 0.04 -1.06 -0.29 0.00 -1.71 0.00 0.00 55.69 52.68 3dt3 s MET 528 Cb 0.07 -4.20 0.02 0.00 2.01 0.00 0.00 34.83 32.73 3dt3 s MET 528 CO 0.72 -1.47 1.06 0.15 -0.01 0.00 0.00 175.02 175.46 3dt3 s LYS 529 N 2.92 4.07 0.00 2.03 -0.14 -1.26 -5.02 119.74 122.34 3dt3 s LYS 529 Ca 0.15 1.05 0.00 0.00 -1.36 0.00 0.00 55.97 55.81 3dt3 s LYS 529 Cb -0.21 -3.73 0.00 0.00 -1.68 0.00 0.00 37.83 32.21 3dt3 s LYS 529 CO 0.09 -0.88 0.00 -1.71 -0.76 0.00 0.00 175.35 172.09 3dt3 n ASN 532 N 6.81 0.00 -1.57 2.83 5.15 -1.26 -5.15 115.26 122.07 3dt3 n ASN 532 Ca 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 3dt3 n ASN 532 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 3dt3 n ASN 532 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3dt3 n VAL 533 N 0.00 1.62 -3.43 3.44 0.24 -1.26 -4.28 118.33 114.65 3dt3 n VAL 533 Ca 0.00 -0.40 -0.27 0.00 -2.04 0.00 0.00 64.34 61.63 3dt3 n VAL 533 Cb 0.00 -1.39 -0.10 0.00 -1.47 0.00 0.00 33.84 30.88 3dt3 n VAL 533 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 3dt3 n VAL 534 N 1.55 -0.88 -1.77 3.34 3.14 -1.26 -5.13 118.33 117.32 3dt3 n VAL 534 Ca 0.00 -3.61 -0.40 0.00 -2.96 0.00 0.00 64.34 57.37 3dt3 n VAL 534 Cb 0.41 -1.72 0.02 0.00 -1.06 0.00 0.00 33.84 31.49 3dt3 n VAL 534 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3dt3 s PRO 535 N -0.18 3.53 0.37 1.45 0.04 -1.26 -4.79 135.00 134.15 3dt3 s PRO 535 Ca 0.32 2.40 0.06 0.00 0.04 0.00 0.00 61.00 63.82 3dt3 s PRO 535 Cb 0.04 -2.55 0.74 0.00 0.04 0.00 0.00 34.50 32.77 3dt3 s PRO 535 CO -0.19 -0.94 1.98 1.25 0.04 0.00 0.00 177.00 179.14 3dt3 h LEU 536 N 2.08 0.65 0.32 -3.56 5.85 -1.98 -0.92 115.31 117.75 3dt3 h LEU 536 Ca -0.51 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3dt3 h LEU 536 Cb 1.28 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 3dt3 h LEU 536 CO 0.60 0.43 -0.37 0.22 -0.34 0.00 0.00 178.44 178.98 3dt3 h TYR 537 N 0.74 -1.01 -0.47 1.25 3.20 -1.97 0.93 116.97 119.65 3dt3 h TYR 537 Ca 0.28 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.23 3dt3 h TYR 537 Cb 0.16 0.40 -0.06 0.00 1.54 0.00 0.00 36.73 38.77 3dt3 h TYR 537 CO -0.00 -0.51 0.11 -0.44 -1.64 0.00 0.00 178.16 175.68 3dt3 h ASP 538 N -0.73 0.03 -0.13 -2.11 3.32 -1.74 -1.59 116.42 113.45 3dt3 h ASP 538 Ca -0.02 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.16 3dt3 h ASP 538 Cb 0.68 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 3dt3 h ASP 538 CO -0.09 0.05 -0.29 0.25 -1.72 0.00 0.00 179.24 177.44 3dt3 h LEU 539 N 0.25 -0.88 -0.69 1.55 5.85 -0.68 -1.90 115.31 118.80 3dt3 h LEU 539 Ca 0.23 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 3dt3 h LEU 539 Cb 0.29 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3dt3 h LEU 539 CO -0.29 -0.33 0.39 -0.07 -0.34 0.00 0.00 178.44 177.80 3dt3 h LEU 540 N -0.36 0.84 -0.01 2.25 3.38 -0.46 -2.56 115.31 118.41 3dt3 h LEU 540 Ca 0.10 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3dt3 h LEU 540 Cb 0.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3dt3 h LEU 540 CO -0.33 0.68 -0.12 0.25 0.09 0.00 0.00 178.44 179.00 3dt3 h LEU 541 N 0.94 -0.36 -1.06 1.67 5.85 -1.06 0.26 115.31 121.55 3dt3 h LEU 541 Ca 0.24 0.06 0.14 0.00 0.84 0.00 0.00 57.88 59.16 3dt3 h LEU 541 Cb 0.01 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 3dt3 h LEU 541 CO -0.04 -0.18 0.62 -0.08 -0.34 0.00 0.00 178.44 178.42 3dt3 h GLU 542 N -0.21 0.86 0.11 1.25 4.57 -1.17 0.24 114.58 120.24 3dt3 h GLU 542 Ca 0.05 -0.05 -0.29 0.00 -1.18 0.00 0.00 59.36 57.88 3dt3 h GLU 542 Cb 0.27 -0.19 0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3dt3 h GLU 542 CO -0.13 0.57 -1.23 0.52 -1.18 0.00 0.00 179.01 177.56 3dt3 h MET 543 N 0.89 0.59 -0.01 1.92 2.86 -0.99 -3.32 114.93 116.87 3dt3 h MET 543 Ca 0.51 -0.79 -0.17 0.00 -2.06 0.00 0.00 59.70 57.19 3dt3 h MET 543 Cb 0.63 0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 3dt3 h MET 543 CO -0.28 1.35 -0.77 -0.07 1.06 0.00 0.00 176.91 178.21 3dt3 h LEU 544 N 0.26 0.13 -6.01 1.22 3.38 -0.10 -3.38 115.31 110.81 3dt3 h LEU 544 Ca -0.18 -0.09 -0.73 0.00 0.09 0.00 0.00 57.88 56.97 3dt3 h LEU 544 Cb 1.90 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 42.53 3dt3 h LEU 544 CO 0.23 0.84 2.71 -0.67 0.09 0.00 0.00 178.44 181.65 3dt3 n ASP 545 N -3.69 5.38 -4.81 -0.43 2.03 0.80 -4.95 116.55 110.88 3dt3 n ASP 545 Ca -0.02 -2.95 -0.35 0.00 0.52 0.00 0.00 54.79 51.99 3dt3 n ASP 545 Cb 0.73 -1.54 -0.06 0.00 -0.72 0.00 0.00 41.12 39.53 3dt3 n ASP 545 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dt3 s ALA 546 N 1.49 3.22 0.89 -1.67 0.00 -1.26 -4.93 121.76 119.50 3dt3 s ALA 546 Ca 0.47 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 3dt3 s ALA 546 Cb 0.13 -3.03 0.17 0.00 0.00 0.00 0.00 23.12 20.40 3dt3 s ALA 546 CO -0.05 0.22 1.23 -3.38 0.00 0.00 0.00 175.76 173.78 3dt3 s HIS 547 N -1.82 1.71 -0.26 0.00 -3.43 -1.26 -5.02 115.29 105.20 3dt3 s HIS 547 Ca 0.53 0.20 0.11 0.00 -0.80 0.00 0.00 55.06 55.10 3dt3 s HIS 547 Cb -0.14 -3.79 0.52 0.00 -1.43 0.00 0.00 32.58 27.73 3dt3 s HIS 547 CO 0.19 -2.34 1.46 0.54 -2.00 0.00 0.00 174.74 172.59 3dt3 n ARG 548 N -3.50 2.16 0.09 -0.38 1.74 -1.26 -4.70 116.66 110.80 3dt3 n ARG 548 Ca 0.15 -3.07 -0.14 0.00 -0.77 0.00 0.00 57.85 54.02 3dt3 n ARG 548 Cb 0.60 -1.83 -0.14 0.00 -1.02 0.00 0.00 32.46 30.07 3dt3 n ARG 548 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3dt3 h LEU 549 N 1.21 0.33 -7.71 0.55 3.38 -2.05 -3.37 115.31 107.64 3dt3 h LEU 549 Ca 0.17 -0.37 -0.75 0.00 0.09 0.00 0.00 57.88 57.01 3dt3 h LEU 549 Cb 1.63 -0.11 -0.21 0.00 0.09 0.00 0.00 40.66 42.06 3dt3 h LEU 549 CO 0.36 1.30 0.94 -1.00 0.09 0.00 0.00 178.44 180.13 3dt3 s HIS 550 N -2.66 3.70 -2.00 1.13 3.76 -1.26 -5.36 115.29 112.60 3dt3 s HIS 550 Ca -0.04 -2.20 0.31 0.00 -0.15 0.00 0.00 55.06 52.98 3dt3 s HIS 550 Cb 0.08 -4.14 1.84 0.00 1.11 0.00 0.00 32.58 31.47 3dt3 s HIS 550 CO 0.87 -1.25 2.17 0.00 -0.85 0.00 0.00 174.74 175.67