#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1md0 n LYS 301 N 0.00 0.00 -0.21 0.58 5.02 -1.26 -4.85 118.16 117.44 1md0 n LYS 301 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1md0 n LYS 301 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 1md0 n LYS 301 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1md0 n GLY 302 N 0.00 0.60 3.86 0.72 0.00 -1.26 -5.08 105.19 104.02 1md0 n GLY 302 Ca 0.00 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 1md0 n GLY 302 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1md0 s THR 303 N 0.67 2.93 0.30 2.61 -4.23 -1.26 -4.86 115.64 111.79 1md0 s THR 303 Ca 0.00 0.30 -0.00 0.00 -1.18 0.00 0.00 61.69 60.81 1md0 s THR 303 Cb 0.00 -3.21 0.28 0.00 1.34 0.00 0.00 72.50 70.91 1md0 s THR 303 CO 0.00 -0.39 1.93 0.15 -0.54 0.00 0.00 174.62 175.77 1md0 h PHE 304 N -0.93 1.04 -0.92 3.99 3.57 -1.98 -0.57 116.94 121.14 1md0 h PHE 304 Ca -0.46 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.10 1md0 h PHE 304 Cb 1.28 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.62 1md0 h PHE 304 CO 0.43 0.58 0.60 -0.22 -2.23 0.00 0.00 178.31 177.47 1md0 h LYS 305 N 1.05 1.14 -0.09 1.11 3.64 -1.99 -0.45 116.57 120.97 1md0 h LYS 305 Ca 0.36 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1md0 h LYS 305 Cb 0.10 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1md0 h LYS 305 CO -0.12 0.75 0.04 -0.44 -2.27 0.00 0.00 179.45 177.41 1md0 h ASP 306 N 1.17 0.12 -0.36 4.20 3.32 -1.50 -1.56 116.42 121.80 1md0 h ASP 306 Ca 0.36 -0.14 0.08 0.00 0.02 0.00 0.00 57.03 57.35 1md0 h ASP 306 Cb -0.01 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.42 1md0 h ASP 306 CO -0.12 0.22 -0.25 0.22 -1.72 0.00 0.00 179.24 177.60 1md0 h TYR 307 N 0.00 -0.65 -0.77 4.55 3.20 -0.50 0.28 116.97 123.08 1md0 h TYR 307 Ca 0.03 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1md0 h TYR 307 Cb 0.14 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 1md0 h TYR 307 CO -0.03 -0.32 0.32 0.28 -1.64 0.00 0.00 178.16 176.78 1md0 h VAL 308 N -0.20 1.25 -0.44 1.81 2.07 -1.02 -1.48 116.25 118.25 1md0 h VAL 308 Ca 0.17 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1md0 h VAL 308 Cb 0.47 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1md0 h VAL 308 CO -0.47 0.32 -0.10 0.03 0.02 0.00 0.00 177.57 177.37 1md0 h ARG 309 N 1.10 0.78 -0.44 1.57 3.08 -0.46 -0.53 114.38 119.47 1md0 h ARG 309 Ca 0.26 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1md0 h ARG 309 Cb 0.19 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1md0 h ARG 309 CO -0.02 0.85 -0.04 -0.44 -1.07 0.00 0.00 179.97 179.25 1md0 h ASP 310 N 0.71 0.79 -0.30 7.04 3.32 -0.13 -1.03 116.42 126.81 1md0 h ASP 310 Ca 0.12 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1md0 h ASP 310 Cb 0.57 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1md0 h ASP 310 CO 0.04 0.93 0.11 0.03 -1.72 0.00 0.00 179.24 178.63 1md0 h ARG 311 N 0.63 0.46 -0.87 3.56 2.47 -1.07 -2.59 114.38 116.97 1md0 h ARG 311 Ca 0.12 -0.09 0.02 0.00 -1.26 0.00 0.00 59.98 58.78 1md0 h ARG 311 Cb 0.55 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.75 1md0 h ARG 311 CO 0.03 0.48 0.56 0.00 0.56 0.00 0.00 179.97 181.60 1md0 h ALA 312 N 0.96 1.12 0.00 0.04 0.00 -1.00 -0.54 119.26 119.84 1md0 h ALA 312 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1md0 h ALA 312 Cb 0.20 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1md0 h ALA 312 CO -0.01 0.44 -0.04 0.22 0.00 0.00 0.00 179.25 179.86 1md0 h ASP 313 N 1.12 0.00 -0.64 0.00 -0.00 -0.93 -0.17 116.42 115.80 1md0 h ASP 313 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.36 1md0 h ASP 313 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.28 1md0 h ASP 313 CO -0.10 0.04 0.00 0.18 -0.00 0.00 0.00 179.24 179.36 1md0 n LEU 314 N -3.50 4.93 -2.64 2.28 4.77 -0.32 -4.94 117.00 117.58 1md0 n LEU 314 Ca -0.02 -2.49 -0.20 0.00 -0.03 0.00 0.00 56.01 53.26 1md0 n LEU 314 Cb 0.15 -0.60 0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1md0 n LEU 314 CO 0.26 0.77 -0.07 0.59 -1.33 0.00 0.00 177.39 177.61 1md0 n ASN 315 N 1.05 -5.77 -4.99 -1.43 3.02 -0.08 -4.41 115.26 102.65 1md0 n ASN 315 Ca 0.26 -0.19 -0.18 0.00 -0.03 0.00 0.00 54.58 54.44 1md0 n ASN 315 Cb 0.94 -4.65 0.01 0.00 -0.61 0.00 0.00 39.78 35.47 1md0 n ASN 315 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1md0 s LYS 316 N -5.43 2.75 -2.15 3.52 1.02 -0.57 -2.81 119.74 116.07 1md0 s LYS 316 Ca 0.20 -1.31 0.00 0.00 0.02 0.00 0.00 55.97 54.88 1md0 s LYS 316 Cb -0.09 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1md0 s LYS 316 CO 0.25 -0.30 0.00 -0.25 -0.92 0.00 0.00 175.35 174.13 1md0 n ASP 317 N -1.84 -5.57 -2.71 2.83 8.00 -1.26 -4.45 116.55 111.55 1md0 n ASP 317 Ca 0.08 0.43 -0.06 0.00 0.71 0.00 0.00 54.79 55.95 1md0 n ASP 317 Cb 0.60 -4.87 0.04 0.00 -0.02 0.00 0.00 41.12 36.87 1md0 n ASP 317 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1md0 n LYS 318 N -2.48 1.58 -1.77 -1.24 5.02 -1.26 -5.11 118.16 112.90 1md0 n LYS 318 Ca -0.21 -3.45 -0.39 0.00 -2.02 0.00 0.00 58.31 52.24 1md0 n LYS 318 Cb 0.69 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 34.25 1md0 n LYS 318 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1md0 s PRO 319 N -3.47 3.27 0.21 1.97 0.04 -1.26 -4.89 135.00 130.86 1md0 s PRO 319 Ca 0.29 2.30 -0.07 0.00 0.04 0.00 0.00 61.00 63.56 1md0 s PRO 319 Cb 0.39 -2.36 0.15 0.00 0.04 0.00 0.00 34.50 32.73 1md0 s PRO 319 CO -0.01 -1.11 1.67 0.28 0.04 0.00 0.00 177.00 177.87 1md0 h VAL 320 N 1.66 1.26 -3.20 -0.36 2.07 -1.47 -3.36 116.25 112.86 1md0 h VAL 320 Ca -0.51 -1.15 -0.63 0.00 0.82 0.00 0.00 66.70 65.23 1md0 h VAL 320 Cb 1.29 0.88 -0.41 0.00 -1.52 0.00 0.00 31.29 31.53 1md0 h VAL 320 CO 0.58 0.41 -0.62 -0.63 0.02 0.00 0.00 177.57 177.33 1md0 s ILE 321 N -4.95 2.58 0.20 4.57 -1.09 -1.26 -5.09 121.20 116.16 1md0 s ILE 321 Ca -0.11 -3.66 -0.31 0.00 -2.23 0.00 0.00 60.65 54.34 1md0 s ILE 321 Cb 0.14 -2.75 -0.10 0.00 -1.58 0.00 0.00 42.46 38.17 1md0 s ILE 321 CO 0.84 -0.90 1.49 -2.84 -1.23 0.00 0.00 174.94 172.30 1md0 s PRO 322 N -0.73 4.25 0.16 2.79 0.02 -1.26 -3.55 135.00 136.67 1md0 s PRO 322 Ca 0.21 2.31 -0.16 0.00 0.02 0.00 0.00 61.00 63.38 1md0 s PRO 322 Cb -0.16 -3.14 0.07 0.00 0.02 0.00 0.00 34.50 31.29 1md0 s PRO 322 CO -0.07 -0.50 1.77 0.00 -0.33 0.00 0.00 177.00 177.86 1md0 h ALA 323 N 5.90 0.47 -0.81 -1.55 0.00 -1.93 -0.80 119.26 120.54 1md0 h ALA 323 Ca -0.44 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1md0 h ALA 323 Cb 1.21 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1md0 h ALA 323 CO 0.84 -0.21 0.54 0.00 0.00 0.00 0.00 179.25 180.42 1md0 h ALA 324 N 1.22 1.43 -0.42 0.00 0.00 -1.94 0.37 119.26 119.91 1md0 h ALA 324 Ca 0.17 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1md0 h ALA 324 Cb 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1md0 h ALA 324 CO -0.14 0.53 -0.18 0.00 0.00 0.00 0.00 179.25 179.47 1md0 h ALA 325 N 1.50 0.59 -0.16 0.00 0.00 -1.79 -1.55 119.26 117.85 1md0 h ALA 325 Ca 0.30 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1md0 h ALA 325 Cb -0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1md0 h ALA 325 CO -0.06 0.54 -0.33 1.25 0.00 0.00 0.00 179.25 180.64 1md0 h LEU 326 N 0.69 0.34 -0.49 0.00 5.85 -0.68 -0.68 115.31 120.34 1md0 h LEU 326 Ca 0.10 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 1md0 h LEU 326 Cb 0.74 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1md0 h LEU 326 CO 0.06 0.66 -0.14 0.00 -0.34 0.00 0.00 178.44 178.68 1md0 h ALA 327 N 1.37 0.68 -0.46 1.25 0.00 -0.74 -1.11 119.26 120.24 1md0 h ALA 327 Ca 0.04 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1md0 h ALA 327 Cb 0.73 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1md0 h ALA 327 CO 0.06 0.61 -0.06 0.78 0.00 0.00 0.00 179.25 180.63 1md0 h GLY 328 N 0.82 0.93 0.98 0.00 0.00 -0.96 0.20 103.07 105.04 1md0 h GLY 328 Ca 0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1md0 h GLY 328 CO 0.05 0.67 0.26 -1.82 0.00 0.00 0.00 176.54 175.71 1md0 h TYR 329 N 0.70 0.79 -0.00 5.60 3.20 -0.99 -2.86 116.97 123.42 1md0 h TYR 329 Ca 0.12 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1md0 h TYR 329 Cb 0.59 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1md0 h TYR 329 CO 0.04 0.62 -0.30 0.25 -1.64 0.00 0.00 178.16 177.13 1md0 n THR 330 N -4.56 0.00 -3.34 1.81 -2.24 -0.43 -4.96 114.28 100.55 1md0 n THR 330 Ca 0.03 -0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 1md0 n THR 330 Cb 0.12 0.12 0.06 0.00 -2.10 0.00 0.00 70.33 68.53 1md0 n THR 330 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1md0 n GLY 331 N 1.42 -0.34 0.46 3.38 0.00 0.64 -4.90 105.19 105.84 1md0 n GLY 331 Ca 0.09 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1md0 n GLY 331 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1md0 n SER 332 N -2.31 1.41 0.00 1.61 3.41 -0.73 -5.01 113.62 112.01 1md0 n SER 332 Ca -0.01 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 1md0 n SER 332 Cb 0.56 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1md0 n SER 332 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1md0 n GLY 333 N 1.14 2.01 3.72 5.00 0.00 -1.26 -4.78 105.19 111.02 1md0 n GLY 333 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1md0 n GLY 333 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1md0 s PRO 334 N 0.00 2.15 0.28 1.61 0.02 -1.26 -4.77 135.00 133.03 1md0 s PRO 334 Ca 0.00 1.88 -0.29 0.00 0.02 0.00 0.00 61.00 62.60 1md0 s PRO 334 Cb 0.00 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.60 1md0 s PRO 334 CO 0.00 -1.85 1.29 0.42 -0.33 0.00 0.00 177.00 176.53 1md0 s ILE 335 N -1.80 2.95 0.07 2.83 1.09 -1.26 -4.98 121.20 120.09 1md0 s ILE 335 Ca 0.77 0.89 0.01 0.00 -1.10 0.00 0.00 60.65 61.22 1md0 s ILE 335 Cb -0.32 -3.57 -0.04 0.00 -1.06 0.00 0.00 42.46 37.47 1md0 s ILE 335 CO 0.44 0.18 0.14 -1.10 -0.10 0.00 0.00 174.94 174.51 1md0 s GLN 336 N -1.16 3.16 0.25 2.79 -1.52 -1.26 -5.00 119.66 116.92 1md0 s GLN 336 Ca 0.51 -0.56 -0.03 0.00 -1.95 0.00 0.00 55.36 53.33 1md0 s GLN 336 Cb -0.38 -2.88 0.50 0.00 -0.22 0.00 0.00 33.01 30.02 1md0 s GLN 336 CO 0.46 0.59 1.72 1.25 -0.25 0.00 0.00 175.29 179.07 1md0 h LEU 337 N 3.24 0.27 -1.48 2.90 5.85 -1.99 -0.34 115.31 123.76 1md0 h LEU 337 Ca -0.46 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 1md0 h LEU 337 Cb 1.16 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1md0 h LEU 337 CO 0.70 0.08 -0.21 4.11 -0.34 0.00 0.00 178.44 182.79 1md0 h TRP 338 N 0.43 0.08 -0.10 1.25 5.08 -1.96 -0.28 115.95 120.45 1md0 h TRP 338 Ca 0.44 -0.01 -0.21 0.00 1.08 0.00 0.00 58.89 60.19 1md0 h TRP 338 Cb 0.69 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.83 1md0 h TRP 338 CO -0.17 0.28 -0.78 1.96 -1.28 0.00 0.00 178.44 178.45 1md0 h GLN 339 N 0.07 0.59 -0.50 0.12 4.20 -1.53 -2.55 115.11 115.50 1md0 h GLN 339 Ca 0.01 -0.50 -0.07 0.00 0.06 0.00 0.00 58.65 58.16 1md0 h GLN 339 Cb 0.41 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1md0 h GLN 339 CO 0.03 1.12 0.04 0.35 -0.67 0.00 0.00 178.83 179.70 1md0 h PHE 340 N 0.39 0.93 -0.74 2.96 3.57 -0.48 -1.76 116.94 121.82 1md0 h PHE 340 Ca -0.05 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.29 1md0 h PHE 340 Cb 1.39 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 1md0 h PHE 340 CO 0.07 0.86 0.40 -0.07 -2.23 0.00 0.00 178.31 177.34 1md0 h LEU 341 N 0.73 0.91 -0.89 0.59 3.38 -1.06 -1.62 115.31 117.35 1md0 h LEU 341 Ca 0.15 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1md0 h LEU 341 Cb 0.46 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1md0 h LEU 341 CO 0.02 0.73 0.31 0.25 0.09 0.00 0.00 178.44 179.84 1md0 h LEU 342 N 1.02 1.03 -0.26 1.67 5.85 -1.02 -0.44 115.31 123.17 1md0 h LEU 342 Ca 0.26 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1md0 h LEU 342 Cb 0.02 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1md0 h LEU 342 CO -0.04 0.91 0.05 -0.08 -0.34 0.00 0.00 178.44 178.94 1md0 h GLU 343 N 1.10 0.42 -0.96 1.25 4.81 -0.53 -2.23 114.58 118.44 1md0 h GLU 343 Ca 0.26 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1md0 h GLU 343 Cb 0.19 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 1md0 h GLU 343 CO -0.02 0.53 0.60 -0.07 -0.73 0.00 0.00 179.01 179.32 1md0 h LEU 344 N 0.24 1.13 -1.16 1.64 3.38 -1.00 -1.66 115.31 117.88 1md0 h LEU 344 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1md0 h LEU 344 Cb 0.31 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1md0 h LEU 344 CO 0.00 0.84 0.00 -0.07 0.09 0.00 0.00 178.44 179.31 1md0 h LEU 345 N 1.31 0.00 -3.28 1.67 3.38 -0.92 -2.58 115.31 114.89 1md0 h LEU 345 Ca 0.35 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.24 1md0 h LEU 345 Cb -0.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1md0 h LEU 345 CO -0.07 0.00 -0.03 0.35 0.09 0.00 0.00 178.44 178.78 1md0 n THR 346 N -2.79 2.37 -4.01 0.22 -2.24 -0.69 -4.81 114.28 102.33 1md0 n THR 346 Ca 0.01 -2.27 -0.32 0.00 -2.27 0.00 0.00 64.05 59.20 1md0 n THR 346 Cb 0.29 -0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.09 1md0 n THR 346 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1md0 s ASP 347 N -2.27 4.66 0.41 3.42 -1.08 -0.82 -1.23 116.67 119.76 1md0 s ASP 347 Ca 0.42 -1.65 0.16 0.00 -0.52 0.00 0.00 52.55 50.95 1md0 s ASP 347 Cb 0.36 -1.61 1.03 0.00 -1.46 0.00 0.00 42.92 41.24 1md0 s ASP 347 CO 0.05 -0.28 1.87 0.50 0.52 0.00 0.00 175.17 177.82 1md0 h LYS 348 N 7.77 0.45 0.00 4.34 3.64 -1.84 -0.34 116.57 130.59 1md0 h LYS 348 Ca -0.14 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1md0 h LYS 348 Cb 1.04 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1md0 h LYS 348 CO 0.50 0.30 0.00 -1.13 -2.27 0.00 0.00 179.45 176.85 1md0 n SER 349 N -4.52 0.16 -0.79 4.20 3.41 -1.13 -2.76 113.62 112.20 1md0 n SER 349 Ca 0.18 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.45 1md0 n SER 349 Cb 0.63 -0.58 0.06 0.00 -0.26 0.00 0.00 64.21 64.07 1md0 n SER 349 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1md0 h GLN 351 N 3.88 0.00 0.00 0.00 4.20 -1.61 -1.89 115.11 119.69 1md0 h GLN 351 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1md0 h GLN 351 Cb 0.90 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 1md0 h GLN 351 CO 0.00 0.00 -0.10 0.66 -0.67 0.00 0.00 178.83 178.72 1md0 h SER 352 N 0.00 0.00 -0.00 1.46 4.64 -1.86 -3.32 113.55 114.47 1md0 h SER 352 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1md0 h SER 352 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1md0 h SER 352 CO -0.00 0.10 -0.04 2.22 -0.87 0.00 0.00 176.83 178.24 1md0 n PHE 353 N -3.20 0.00 -3.64 4.77 1.16 -0.74 -4.56 117.46 111.26 1md0 n PHE 353 Ca 0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.53 1md0 n PHE 353 Cb 0.41 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.22 1md0 n PHE 353 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1md0 s ILE 354 N -0.83 0.00 0.19 1.97 2.07 -1.04 -1.45 121.20 122.11 1md0 s ILE 354 Ca 0.01 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.03 1md0 s ILE 354 Cb 0.01 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.65 1md0 s ILE 354 CO 0.04 0.00 0.62 -0.94 -1.91 0.00 0.00 174.94 172.75 1md0 s SER 355 N 1.32 -0.45 0.38 4.50 1.04 -0.77 -3.85 113.70 115.87 1md0 s SER 355 Ca -0.08 -0.21 -0.25 0.00 0.48 0.00 0.00 55.95 55.89 1md0 s SER 355 Cb -0.04 0.63 -0.09 0.00 0.10 0.00 0.00 66.02 66.61 1md0 s SER 355 CO -0.15 -1.07 1.09 0.26 0.98 0.00 0.00 173.24 174.34 1md0 s TRP 356 N -3.81 3.27 -0.38 5.02 0.52 -1.26 -0.84 118.94 121.47 1md0 s TRP 356 Ca 0.04 1.63 0.23 0.00 0.02 0.00 0.00 56.10 58.03 1md0 s TRP 356 Cb -0.02 -3.22 0.23 0.00 -1.15 0.00 0.00 33.47 29.31 1md0 s TRP 356 CO -0.07 -0.79 1.43 1.79 0.02 0.00 0.00 176.95 179.33 1md0 h THR 357 N 2.38 0.00 0.00 2.01 1.35 -1.51 -3.45 112.91 113.69 1md0 h THR 357 Ca -0.48 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 1md0 h THR 357 Cb 1.22 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1md0 h THR 357 CO 0.63 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 1md0 n GLY 358 N 1.13 0.53 3.24 5.82 0.00 -1.26 -4.39 105.19 110.26 1md0 n GLY 358 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1md0 n GLY 358 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1md0 s ASP 359 N -2.04 6.11 1.56 1.61 3.68 -1.26 -5.01 116.67 121.31 1md0 s ASP 359 Ca 0.00 -2.51 0.00 0.00 2.13 0.00 0.00 52.55 52.17 1md0 s ASP 359 Cb 0.00 -2.08 0.00 0.00 -1.45 0.00 0.00 42.92 39.39 1md0 s ASP 359 CO 0.00 -0.57 0.00 0.61 0.13 0.00 0.00 175.17 175.34 1md0 n GLY 360 N 4.13 3.48 2.01 2.66 0.00 -1.26 -1.58 105.19 114.63 1md0 n GLY 360 Ca 0.06 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1md0 n GLY 360 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1md0 n TRP 361 N 14.00 2.53 -3.06 1.61 7.02 -1.26 -4.87 117.44 133.41 1md0 n TRP 361 Ca 0.00 -1.41 -0.38 0.00 -1.02 0.00 0.00 57.50 54.69 1md0 n TRP 361 Cb 0.00 -0.77 -0.06 0.00 -2.42 0.00 0.00 31.31 28.06 1md0 n TRP 361 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1md0 s GLU 362 N -2.87 4.39 0.18 -0.99 2.12 -0.62 -2.08 118.70 118.83 1md0 s GLU 362 Ca 0.51 0.99 -0.03 0.00 0.36 0.00 0.00 54.97 56.79 1md0 s GLU 362 Cb 0.42 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 1md0 s GLU 362 CO 0.11 0.48 0.17 -0.59 -0.54 0.00 0.00 175.26 174.89 1md0 s PHE 363 N -1.34 0.87 0.04 5.30 -0.71 0.14 -1.28 117.98 121.00 1md0 s PHE 363 Ca 0.39 -1.18 0.03 0.00 -1.04 0.00 0.00 56.93 55.13 1md0 s PHE 363 Cb -0.20 -0.38 -0.02 0.00 -1.21 0.00 0.00 43.02 41.21 1md0 s PHE 363 CO 0.23 -0.65 -0.09 0.21 -1.34 0.00 0.00 175.22 173.58 1md0 s LYS 364 N -4.08 0.60 -0.59 1.99 2.20 -0.02 -0.51 119.74 119.32 1md0 s LYS 364 Ca 0.29 -0.74 -0.14 0.00 -0.36 0.00 0.00 55.97 55.02 1md0 s LYS 364 Cb 0.06 -0.44 0.15 0.00 -1.51 0.00 0.00 37.83 36.08 1md0 s LYS 364 CO 0.07 0.09 0.53 -0.51 -0.36 0.00 0.00 175.35 175.17 1md0 s LEU 365 N -1.44 6.22 0.23 5.43 1.43 0.26 -1.85 118.68 128.97 1md0 s LEU 365 Ca -0.07 -2.02 0.05 0.00 -1.03 0.00 0.00 54.13 51.06 1md0 s LEU 365 Cb -0.09 -2.17 0.22 0.00 0.03 0.00 0.00 46.19 44.18 1md0 s LEU 365 CO 0.01 -0.76 1.54 0.28 0.23 0.00 0.00 176.35 177.64 1md0 h SER 366 N 8.55 0.25 -2.52 2.29 0.02 -1.55 -3.36 113.55 117.23 1md0 h SER 366 Ca -0.20 -0.15 -0.60 0.00 -0.84 0.00 0.00 61.79 60.01 1md0 h SER 366 Cb 1.08 -0.07 -0.39 0.00 0.14 0.00 0.00 62.40 63.16 1md0 h SER 366 CO 0.95 0.82 -0.89 -0.67 -1.14 0.00 0.00 176.83 175.90 1md0 n ASP 367 N -3.84 0.31 0.11 3.07 -0.08 -0.66 -4.98 116.55 110.48 1md0 n ASP 367 Ca -0.02 -2.56 0.09 0.00 -1.51 0.00 0.00 54.79 50.78 1md0 n ASP 367 Cb 0.64 -0.60 0.57 0.00 2.34 0.00 0.00 41.12 44.07 1md0 n ASP 367 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1md0 h PRO 368 N 5.57 0.20 -0.38 -0.67 0.13 -1.79 -2.11 132.00 132.94 1md0 h PRO 368 Ca 0.24 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.30 1md0 h PRO 368 Cb 0.87 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1md0 h PRO 368 CO 0.45 0.13 0.01 -0.44 -0.23 0.00 0.00 178.00 177.92 1md0 h ASP 369 N 0.20 0.65 -0.70 1.44 3.32 -1.95 -0.97 116.42 118.41 1md0 h ASP 369 Ca 0.11 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.87 1md0 h ASP 369 Cb 0.19 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1md0 h ASP 369 CO -0.02 0.79 0.46 -0.08 -1.72 0.00 0.00 179.24 178.67 1md0 h GLU 370 N 0.50 0.92 -0.44 3.56 4.57 -1.79 0.17 114.58 122.07 1md0 h GLU 370 Ca 0.11 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1md0 h GLU 370 Cb 0.45 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 1md0 h GLU 370 CO 0.02 0.62 0.26 0.28 -1.18 0.00 0.00 179.01 179.00 1md0 h VAL 371 N 0.95 1.04 -0.74 0.32 2.07 -1.18 -0.22 116.25 118.49 1md0 h VAL 371 Ca 0.26 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 1md0 h VAL 371 Cb -0.10 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1md0 h VAL 371 CO -0.05 0.09 0.29 0.00 0.02 0.00 0.00 177.57 177.92 1md0 h ALA 372 N 1.19 1.12 -0.36 1.67 0.00 -0.56 -1.17 119.26 121.15 1md0 h ALA 372 Ca 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1md0 h ALA 372 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1md0 h ALA 372 CO -0.08 0.63 0.15 -0.09 0.00 0.00 0.00 179.25 179.86 1md0 h ARG 373 N 1.07 0.54 -0.60 0.00 2.43 0.11 -0.86 114.38 117.08 1md0 h ARG 373 Ca 0.25 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1md0 h ARG 373 Cb 0.21 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1md0 h ARG 373 CO -0.02 0.52 0.04 0.00 -1.51 0.00 0.00 179.97 179.00 1md0 h ARG 374 N 0.44 1.03 -0.36 0.20 3.08 -0.87 -1.92 114.38 115.98 1md0 h ARG 374 Ca 0.12 -0.31 0.03 0.00 0.07 0.00 0.00 59.98 59.90 1md0 h ARG 374 Cb 0.18 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1md0 h ARG 374 CO -0.01 0.99 0.17 2.35 -1.07 0.00 0.00 179.97 182.40 1md0 h TRP 375 N 0.93 0.31 -0.37 3.04 -0.00 -0.99 -0.24 115.95 118.61 1md0 h TRP 375 Ca 0.17 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 59.09 1md0 h TRP 375 Cb 0.50 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 29.55 1md0 h TRP 375 CO 0.04 0.16 0.22 0.78 -0.00 0.00 0.00 178.44 179.64 1md0 h GLY 376 N 0.35 0.52 1.16 2.65 0.00 -0.92 -1.49 103.07 105.34 1md0 h GLY 376 Ca 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1md0 h GLY 376 CO -0.12 0.15 0.46 1.70 0.00 0.00 0.00 176.54 178.73 1md0 h LYS 377 N 0.45 1.10 -0.43 4.80 3.64 -0.94 0.50 116.57 125.69 1md0 h LYS 377 Ca 0.15 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1md0 h LYS 377 Cb -0.00 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1md0 h LYS 377 CO -0.06 0.79 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.71 1md0 h ARG 378 N 1.12 0.77 -0.47 1.90 9.65 -0.48 -2.85 114.38 124.01 1md0 h ARG 378 Ca 0.29 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1md0 h ARG 378 Cb -0.01 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1md0 h ARG 378 CO -0.05 0.85 0.00 1.63 2.80 0.00 0.00 179.97 185.20 1md0 n LYS 379 N -4.17 2.46 -3.64 0.20 4.76 -0.61 -4.95 118.16 112.21 1md0 n LYS 379 Ca 0.01 -2.23 -0.24 0.00 -2.87 0.00 0.00 58.31 52.98 1md0 n LYS 379 Cb 0.36 -1.51 0.07 0.00 -1.84 0.00 0.00 35.03 32.11 1md0 n LYS 379 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1md0 n ASN 380 N 1.38 -5.54 -3.93 4.39 4.05 0.61 -4.96 115.26 111.26 1md0 n ASN 380 Ca 0.20 -0.60 -0.29 0.00 0.45 0.00 0.00 54.58 54.34 1md0 n ASN 380 Cb 0.57 -4.82 -0.13 0.00 1.23 0.00 0.00 39.78 36.63 1md0 n ASN 380 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1md0 s LYS 381 N -6.27 2.23 0.61 1.20 1.02 0.14 -4.94 119.74 113.72 1md0 s LYS 381 Ca 0.53 -2.97 0.39 0.00 0.02 0.00 0.00 55.97 53.93 1md0 s LYS 381 Cb -0.24 -3.38 2.11 0.00 -0.52 0.00 0.00 37.83 35.80 1md0 s LYS 381 CO 0.75 -1.19 2.18 -1.00 -0.92 0.00 0.00 175.35 175.17 1md0 h PRO 382 N 5.98 0.00 -0.02 -1.68 0.13 -1.93 -0.55 132.00 133.92 1md0 h PRO 382 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1md0 h PRO 382 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1md0 h PRO 382 CO 0.71 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.11 1md0 n LYS 383 N -2.90 1.33 -1.79 0.86 4.76 -1.26 -4.90 118.16 114.26 1md0 n LYS 383 Ca -0.03 -0.48 -0.41 0.00 -2.87 0.00 0.00 58.31 54.52 1md0 n LYS 383 Cb 0.11 -1.46 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 1md0 n LYS 383 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1md0 s MET 384 N -1.98 4.12 0.31 1.97 1.75 -0.22 -4.99 119.30 120.26 1md0 s MET 384 Ca 0.41 2.58 0.01 0.00 -1.25 0.00 0.00 55.69 57.43 1md0 s MET 384 Cb 0.20 -3.00 -0.00 0.00 2.84 0.00 0.00 34.83 34.87 1md0 s MET 384 CO 0.33 -0.60 0.39 0.27 -0.65 0.00 0.00 175.02 174.76 1md0 n ASN 385 N 1.56 -1.06 0.09 1.11 0.23 -1.26 -4.70 115.26 111.23 1md0 n ASN 385 Ca 0.06 -2.76 0.01 0.00 -0.53 0.00 0.00 54.58 51.36 1md0 n ASN 385 Cb 0.38 2.06 0.33 0.00 -2.08 0.00 0.00 39.78 40.48 1md0 n ASN 385 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1md0 h TYR 386 N 1.92 0.31 -0.13 -2.53 3.20 -1.90 -1.54 116.97 116.30 1md0 h TYR 386 Ca -0.23 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1md0 h TYR 386 Cb 1.06 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1md0 h TYR 386 CO 0.00 0.46 0.08 1.49 -1.64 0.00 0.00 178.16 178.55 1md0 h GLU 387 N 0.27 0.17 -0.58 1.82 4.22 -1.98 0.13 114.58 118.62 1md0 h GLU 387 Ca 0.05 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.39 1md0 h GLU 387 Cb 0.48 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1md0 h GLU 387 CO 0.03 0.12 0.02 0.87 -2.18 0.00 0.00 179.01 177.86 1md0 h LYS 388 N 0.17 1.01 -0.32 1.92 1.57 -1.90 -1.94 116.57 117.08 1md0 h LYS 388 Ca 0.05 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1md0 h LYS 388 Cb -0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1md0 h LYS 388 CO -0.01 1.00 0.21 1.25 -0.57 0.00 0.00 179.45 181.32 1md0 h LEU 389 N 0.91 0.38 -0.96 2.94 5.85 -0.94 -0.57 115.31 122.91 1md0 h LEU 389 Ca 0.17 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1md0 h LEU 389 Cb 0.53 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1md0 h LEU 389 CO 0.03 0.29 0.07 0.77 -0.34 0.00 0.00 178.44 179.25 1md0 h SER 390 N 0.43 0.78 -0.61 1.25 4.64 -0.65 -1.36 113.55 118.03 1md0 h SER 390 Ca 0.12 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1md0 h SER 390 Cb -0.03 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 1md0 h SER 390 CO -0.02 0.81 0.29 -0.09 -0.87 0.00 0.00 176.83 176.94 1md0 h ARG 391 N 0.78 0.88 -0.95 4.77 2.43 -0.95 -0.23 114.38 121.11 1md0 h ARG 391 Ca 0.16 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1md0 h ARG 391 Cb 0.38 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 1md0 h ARG 391 CO 0.01 0.72 0.63 0.78 -1.51 0.00 0.00 179.97 180.60 1md0 h GLY 392 N 0.84 1.35 1.07 2.80 0.00 -0.54 -1.32 103.07 107.26 1md0 h GLY 392 Ca 0.21 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1md0 h GLY 392 CO -0.02 0.48 -0.00 1.41 0.00 0.00 0.00 176.54 178.41 1md0 h LEU 393 N 1.29 1.02 -1.24 3.11 3.38 -0.60 -2.74 115.31 119.54 1md0 h LEU 393 Ca 0.35 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1md0 h LEU 393 Cb -0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.32 1md0 h LEU 393 CO -0.08 1.08 -0.18 0.03 0.09 0.00 0.00 178.44 179.38 1md0 h ARG 394 N 0.93 0.31 -0.29 1.13 3.08 -0.60 -2.24 114.38 116.71 1md0 h ARG 394 Ca 0.17 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1md0 h ARG 394 Cb 0.56 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1md0 h ARG 394 CO 0.03 0.48 0.11 -0.92 -1.07 0.00 0.00 179.97 178.61 1md0 h TYR 395 N 0.28 0.39 0.00 3.04 5.03 -0.95 -1.43 116.97 123.34 1md0 h TYR 395 Ca 0.05 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1md0 h TYR 395 Cb 0.48 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.64 1md0 h TYR 395 CO 0.01 0.32 0.00 0.66 -1.32 0.00 0.00 178.16 177.83 1md0 n TYR 396 N -4.42 0.00 0.23 -3.82 4.01 -0.84 -3.58 117.16 108.74 1md0 n TYR 396 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.66 1md0 n TYR 396 Cb 0.13 -0.22 -0.05 0.00 -0.31 0.00 0.00 39.34 38.89 1md0 n TYR 396 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1md0 h TYR 397 N 0.00 -0.59 0.00 -0.72 0.05 -1.23 -1.54 116.97 112.95 1md0 h TYR 397 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1md0 h TYR 397 Cb 0.19 0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1md0 h TYR 397 CO 0.00 -0.36 0.00 -0.44 -1.05 0.00 0.00 178.16 176.31 1md0 h ASP 398 N -1.00 0.00 0.18 3.88 5.19 -1.71 0.49 116.42 123.44 1md0 h ASP 398 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1md0 h ASP 398 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1md0 h ASP 398 CO 0.11 0.00 -0.22 0.29 -3.12 0.00 0.00 179.24 176.30 1md0 n LYS 399 N -2.57 1.01 -3.73 3.56 4.76 -1.21 -4.96 118.16 115.03 1md0 n LYS 399 Ca -0.00 -0.61 -0.28 0.00 -2.87 0.00 0.00 58.31 54.55 1md0 n LYS 399 Cb 0.15 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.88 1md0 n LYS 399 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1md0 n ASN 400 N -0.46 -5.02 -0.13 4.39 3.02 0.16 -4.87 115.26 112.35 1md0 n ASN 400 Ca 0.13 -0.66 -0.24 0.00 -0.03 0.00 0.00 54.58 53.78 1md0 n ASN 400 Cb 0.36 -4.01 -0.11 0.00 -0.61 0.00 0.00 39.78 35.40 1md0 n ASN 400 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1md0 n ILE 401 N -4.62 1.51 -4.05 2.41 5.41 -0.64 -3.53 119.36 115.85 1md0 n ILE 401 Ca 0.02 -0.47 -0.17 0.00 1.00 0.00 0.00 62.75 63.12 1md0 n ILE 401 Cb 0.54 -1.67 -0.16 0.00 -0.71 0.00 0.00 39.64 37.64 1md0 n ILE 401 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1md0 s ILE 402 N -2.51 0.33 0.18 1.39 1.01 -1.05 -1.12 121.20 119.43 1md0 s ILE 402 Ca -0.37 -0.05 0.11 0.00 0.00 0.00 0.00 60.65 60.34 1md0 s ILE 402 Cb 0.12 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 1md0 s ILE 402 CO 0.54 0.16 -0.23 -1.00 0.00 0.00 0.00 174.94 174.41 1md0 s HIS 403 N 0.72 2.34 0.01 3.97 3.76 -0.22 -3.26 115.29 122.61 1md0 s HIS 403 Ca -0.08 -0.35 -0.18 0.00 -0.15 0.00 0.00 55.06 54.31 1md0 s HIS 403 Cb -0.11 -1.18 -0.06 0.00 1.11 0.00 0.00 32.58 32.34 1md0 s HIS 403 CO -0.01 0.47 0.50 0.21 -0.85 0.00 0.00 174.74 175.07 1md0 s LYS 404 N -2.57 4.13 -0.20 1.40 2.20 -1.26 -0.68 119.74 122.76 1md0 s LYS 404 Ca 0.20 0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 56.10 1md0 s LYS 404 Cb -0.08 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1md0 s LYS 404 CO 0.10 0.56 1.25 0.99 -0.36 0.00 0.00 175.35 177.89 1md0 s THR 405 N -0.75 4.29 0.54 3.43 2.01 0.01 -4.93 115.64 120.25 1md0 s THR 405 Ca 0.27 1.54 -0.22 0.00 0.31 0.00 0.00 61.69 63.60 1md0 s THR 405 Cb -0.18 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 1md0 s THR 405 CO 0.16 -0.20 1.32 0.00 -0.69 0.00 0.00 174.62 175.21 1md0 n ALA 406 N 6.77 1.45 -1.36 7.40 0.00 -1.26 -3.05 120.51 130.47 1md0 n ALA 406 Ca 0.14 0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.58 1md0 n ALA 406 Cb 0.45 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.52 1md0 n ALA 406 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1md0 n GLY 407 N 0.80 1.28 3.18 0.00 0.00 -1.26 -4.97 105.19 104.22 1md0 n GLY 407 Ca 0.10 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1md0 n GLY 407 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1md0 s LYS 408 N -2.94 1.06 -0.07 1.61 1.02 -1.17 -5.16 119.74 114.10 1md0 s LYS 408 Ca 0.00 -1.51 0.04 0.00 0.02 0.00 0.00 55.97 54.52 1md0 s LYS 408 Cb 0.00 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 1md0 s LYS 408 CO 0.00 -0.33 -0.19 1.03 -0.92 0.00 0.00 175.35 174.95 1md0 s ARG 409 N -4.09 2.20 -1.09 1.68 1.81 -1.26 -4.68 118.95 113.51 1md0 s ARG 409 Ca 0.30 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 53.64 1md0 s ARG 409 Cb 0.07 -1.80 0.00 0.00 -0.45 0.00 0.00 34.95 32.77 1md0 s ARG 409 CO 0.06 0.20 0.00 0.66 -0.68 0.00 0.00 175.30 175.54 1md0 n TYR 410 N 3.37 -0.03 -4.54 -0.53 4.02 -1.26 -4.89 117.16 113.29 1md0 n TYR 410 Ca -0.19 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.36 1md0 n TYR 410 Cb 0.53 -2.02 -0.15 0.00 -0.02 0.00 0.00 39.34 37.68 1md0 n TYR 410 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1md0 s VAL 411 N -2.40 2.95 0.34 -0.72 1.01 -1.26 -0.57 120.40 119.75 1md0 s VAL 411 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1md0 s VAL 411 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1md0 s VAL 411 CO 0.00 0.51 0.15 -0.31 0.00 0.00 0.00 175.10 175.45 1md0 s TYR 412 N 0.70 1.70 -0.17 5.22 1.51 0.33 -0.80 117.35 125.83 1md0 s TYR 412 Ca -0.06 -1.33 -0.12 0.00 -1.01 0.00 0.00 57.07 54.55 1md0 s TYR 412 Cb -0.15 -0.97 0.05 0.00 -0.11 0.00 0.00 41.96 40.78 1md0 s TYR 412 CO 0.02 -0.44 0.43 0.50 -1.11 0.00 0.00 175.55 174.95 1md0 s ARG 413 N -3.76 0.45 -0.08 -0.62 3.52 0.14 0.24 118.95 118.84 1md0 s ARG 413 Ca 0.32 0.73 -0.30 0.00 -0.13 0.00 0.00 55.73 56.35 1md0 s ARG 413 Cb 0.04 0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.49 1md0 s ARG 413 CO 0.17 -0.12 1.27 -0.06 -0.81 0.00 0.00 175.30 175.75 1md0 s PHE 414 N 0.93 2.99 -1.48 5.12 0.08 -0.88 -1.06 117.98 123.68 1md0 s PHE 414 Ca -0.06 1.05 0.13 0.00 0.12 0.00 0.00 56.93 58.18 1md0 s PHE 414 Cb -0.06 -3.50 0.19 0.00 -0.57 0.00 0.00 43.02 39.08 1md0 s PHE 414 CO -0.08 -1.69 1.05 1.33 -0.10 0.00 0.00 175.22 175.73 1md0 n VAL 415 N 4.90 0.34 -2.36 -0.44 0.24 -0.28 -4.76 118.33 115.96 1md0 n VAL 415 Ca 0.12 -0.67 -0.26 0.00 -2.04 0.00 0.00 64.34 61.50 1md0 n VAL 415 Cb 0.45 1.02 0.04 0.00 -1.47 0.00 0.00 33.84 33.88 1md0 n VAL 415 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1md0 n ASP 417 N -2.68 4.92 0.15 0.00 -0.08 -1.26 -4.76 116.55 112.84 1md0 n ASP 417 Ca 0.06 -2.92 -0.00 0.00 -1.51 0.00 0.00 54.79 50.42 1md0 n ASP 417 Cb 0.59 -1.73 0.21 0.00 2.34 0.00 0.00 41.12 42.53 1md0 n ASP 417 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1md0 h LEU 418 N 12.16 0.00 -0.33 -2.67 3.38 -1.92 -2.62 115.31 123.30 1md0 h LEU 418 Ca 0.44 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.43 1md0 h LEU 418 Cb 0.86 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1md0 h LEU 418 CO 1.46 0.56 0.20 -0.61 0.09 0.00 0.00 178.44 180.13 1md0 h GLN 419 N 0.00 0.39 -0.32 1.13 4.15 -1.86 0.27 115.11 118.87 1md0 h GLN 419 Ca -0.01 -0.02 -0.17 0.00 0.77 0.00 0.00 58.65 59.22 1md0 h GLN 419 Cb 1.02 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.62 1md0 h GLN 419 CO 0.07 0.26 -0.47 0.77 -1.93 0.00 0.00 178.83 177.53 1md0 h SER 420 N 0.40 0.93 -0.02 -0.69 0.02 -1.84 0.37 113.55 112.72 1md0 h SER 420 Ca 0.13 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1md0 h SER 420 Cb -0.00 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 1md0 h SER 420 CO -0.06 1.24 -0.01 0.25 -1.14 0.00 0.00 176.83 177.12 1md0 h LEU 421 N 0.68 0.03 0.13 5.07 5.85 -1.22 -3.35 115.31 122.51 1md0 h LEU 421 Ca 0.04 -0.39 -0.29 0.00 0.84 0.00 0.00 57.88 58.08 1md0 h LEU 421 Cb 1.06 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 42.09 1md0 h LEU 421 CO 0.11 0.42 -1.28 -0.07 -0.34 0.00 0.00 178.44 177.28 1md0 h LEU 422 N -0.35 0.57 0.00 2.25 4.07 -0.54 -3.48 115.31 117.83 1md0 h LEU 422 Ca 0.00 -0.59 0.00 0.00 0.08 0.00 0.00 57.88 57.38 1md0 h LEU 422 Cb 0.40 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1md0 h LEU 422 CO 0.00 1.45 0.00 0.61 -1.08 0.00 0.00 178.44 179.42 1md0 n GLY 423 N 1.51 0.77 3.17 0.83 0.00 0.12 -5.07 105.19 106.53 1md0 n GLY 423 Ca -0.11 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 1md0 n GLY 423 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1md0 s TYR 424 N -2.00 1.30 0.30 1.61 1.51 -1.22 -5.06 117.35 113.79 1md0 s TYR 424 Ca 0.00 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1md0 s TYR 424 Cb 0.00 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 41.07 1md0 s TYR 424 CO 0.00 0.06 0.48 0.95 -1.11 0.00 0.00 175.55 175.94 1md0 s THR 425 N -1.06 5.15 0.30 -0.71 -4.23 -1.26 -4.20 115.64 109.63 1md0 s THR 425 Ca 0.01 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1md0 s THR 425 Cb -0.09 -3.84 0.28 0.00 1.34 0.00 0.00 72.50 70.19 1md0 s THR 425 CO 0.02 -0.45 1.91 -0.65 -0.54 0.00 0.00 174.62 174.91 1md0 h PRO 426 N 1.03 1.03 -0.23 3.99 0.11 -2.00 -1.88 132.00 134.05 1md0 h PRO 426 Ca -0.50 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 1md0 h PRO 426 Cb 1.22 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1md0 h PRO 426 CO 0.62 0.68 0.12 0.93 -0.21 0.00 0.00 178.00 180.14 1md0 h GLU 427 N 1.06 0.32 -0.34 1.05 3.07 -1.94 -1.14 114.58 116.65 1md0 h GLU 427 Ca 0.39 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.23 1md0 h GLU 427 Cb 0.16 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 1md0 h GLU 427 CO -0.14 0.29 0.18 0.93 -1.40 0.00 0.00 179.01 178.88 1md0 h GLU 428 N 0.25 0.37 -0.63 2.33 5.08 -1.82 -1.73 114.58 118.43 1md0 h GLU 428 Ca 0.08 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1md0 h GLU 428 Cb 0.07 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1md0 h GLU 428 CO -0.01 0.24 0.25 1.25 -1.00 0.00 0.00 179.01 179.74 1md0 h LEU 429 N 0.38 0.88 -1.45 1.33 5.85 -1.24 -2.22 115.31 118.84 1md0 h LEU 429 Ca 0.14 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1md0 h LEU 429 Cb 0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1md0 h LEU 429 CO -0.08 0.81 -0.28 0.45 -0.34 0.00 0.00 178.44 179.00 1md0 h HIS 430 N 0.89 0.00 -0.08 1.25 3.86 -0.91 -1.65 115.15 118.51 1md0 h HIS 430 Ca 0.21 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.35 1md0 h HIS 430 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1md0 h HIS 430 CO 0.01 0.28 -0.24 0.00 0.86 0.00 0.00 177.93 178.84 1md0 h ALA 431 N 1.72 0.14 0.00 2.45 0.00 -1.02 -0.13 119.26 122.43 1md0 h ALA 431 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1md0 h ALA 431 Cb 0.50 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1md0 h ALA 431 CO 0.04 0.12 -0.11 0.52 0.00 0.00 0.00 179.25 179.81 1md0 h MET 432 N -0.18 0.00 -0.03 0.00 2.07 -1.10 -2.17 114.93 113.53 1md0 h MET 432 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1md0 h MET 432 Cb 0.86 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.59 1md0 h MET 432 CO 0.05 0.11 -0.04 1.28 1.07 0.00 0.00 176.91 179.38 1md0 n LEU 433 N -4.29 2.79 -3.77 1.22 4.77 -0.65 -4.99 117.00 112.08 1md0 n LEU 433 Ca -0.03 -0.98 -0.25 0.00 -0.03 0.00 0.00 56.01 54.72 1md0 n LEU 433 Cb 0.19 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1md0 n LEU 433 CO 0.35 0.47 -0.13 -0.67 -1.33 0.00 0.00 177.39 176.08 1md0 n ASP 434 N 1.14 -2.19 -4.72 -1.43 2.03 -0.29 -4.93 116.55 106.16 1md0 n ASP 434 Ca 0.13 -0.94 -0.41 0.00 0.52 0.00 0.00 54.79 54.09 1md0 n ASP 434 Cb 0.55 -3.55 -0.04 0.00 -0.72 0.00 0.00 41.12 37.36 1md0 n ASP 434 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1md0 s VAL 435 N -3.71 4.67 -0.10 5.18 1.01 -0.22 -4.98 120.40 122.25 1md0 s VAL 435 Ca 0.15 2.02 -0.10 0.00 0.00 0.00 0.00 61.98 64.05 1md0 s VAL 435 Cb -0.05 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 1md0 s VAL 435 CO 0.85 0.26 0.30 0.07 0.00 0.00 0.00 175.10 176.58 1md0 h LYS 436 N 6.07 -0.04 0.00 2.72 -0.00 -1.91 -3.47 116.57 119.94 1md0 h LYS 436 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.23 1md0 h LYS 436 Cb 1.21 0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 1md0 h LYS 436 CO 0.73 0.27 0.00 -2.30 -0.00 0.00 0.00 179.45 178.15