#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2r s PHE 300 N 0.00 3.47 0.01 -0.14 0.40 -1.26 -4.87 117.98 115.59 1k2r s PHE 300 Ca 0.00 1.45 0.07 0.00 -0.60 0.00 0.00 56.93 57.85 1k2r s PHE 300 Cb 0.00 -3.39 -0.03 0.00 0.51 0.00 0.00 43.02 40.11 1k2r s PHE 300 CO 0.00 -1.06 -0.21 -0.51 0.70 0.00 0.00 175.22 174.13 1k2r s LEU 301 N -0.08 2.38 0.04 -0.37 1.43 -0.71 -4.95 118.68 116.42 1k2r s LEU 301 Ca 0.53 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1k2r s LEU 301 Cb -0.31 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1k2r s LEU 301 CO 0.35 0.29 -0.11 -0.54 0.23 0.00 0.00 176.35 176.57 1k2r s LYS 302 N -1.05 2.30 -0.12 1.70 1.02 -1.26 0.19 119.74 122.52 1k2r s LYS 302 Ca 0.12 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.26 1k2r s LYS 302 Cb -0.10 -2.36 0.01 0.00 -0.52 0.00 0.00 37.83 34.87 1k2r s LYS 302 CO 0.02 0.56 -0.17 0.08 -0.92 0.00 0.00 175.35 174.92 1k2r s VAL 303 N -1.02 1.67 -0.13 3.17 1.01 0.12 -4.95 120.40 120.28 1k2r s VAL 303 Ca 0.17 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1k2r s VAL 303 Cb -0.11 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1k2r s VAL 303 CO 0.08 0.47 -0.04 -0.75 0.00 0.00 0.00 175.10 174.86 1k2r s LYS 304 N 0.99 3.37 -0.30 2.72 2.20 -1.26 -0.23 119.74 127.24 1k2r s LYS 304 Ca -0.05 -0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 54.89 1k2r s LYS 304 Cb -0.15 -2.81 -0.03 0.00 -1.51 0.00 0.00 37.83 33.33 1k2r s LYS 304 CO -0.03 0.39 0.37 1.21 -0.36 0.00 0.00 175.35 176.93 1k2r s ASN 305 N -0.05 6.22 0.00 1.43 3.84 -0.22 -2.36 114.94 123.79 1k2r s ASN 305 Ca 0.01 0.09 0.26 0.00 0.21 0.00 0.00 52.86 53.43 1k2r s ASN 305 Cb -0.13 -2.20 1.34 0.00 -0.55 0.00 0.00 41.25 39.71 1k2r s ASN 305 CO 0.03 -0.24 1.87 0.79 -2.79 0.00 0.00 177.10 176.76 1k2r n TRP 306 N 5.36 0.00 -0.07 0.43 7.02 0.36 0.20 117.44 130.74 1k2r n TRP 306 Ca -0.09 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.29 1k2r n TRP 306 Cb 0.50 -0.23 -0.15 0.00 -2.42 0.00 0.00 31.31 29.01 1k2r n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1k2r n GLU 307 N -1.23 0.67 0.00 -0.99 2.13 -1.26 -4.49 120.64 115.47 1k2r n GLU 307 Ca 0.13 0.11 0.01 0.00 0.66 0.00 0.00 57.16 58.07 1k2r n GLU 307 Cb 0.18 -1.62 0.01 0.00 0.27 0.00 0.00 31.44 30.28 1k2r n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1k2r n THR 308 N -2.91 0.00 -0.21 6.31 -2.24 -1.20 -4.99 114.28 109.03 1k2r n THR 308 Ca -0.29 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1k2r n THR 308 Cb 1.11 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.37 1k2r n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k2r n ASP 309 N 0.02 0.00 -4.69 3.42 8.00 0.13 -4.92 116.55 118.51 1k2r n ASP 309 Ca 0.01 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.07 1k2r n ASP 309 Cb 0.03 -1.60 -0.03 0.00 -0.02 0.00 0.00 41.12 39.50 1k2r n ASP 309 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k2r n VAL 310 N -2.00 0.81 -5.11 2.53 0.31 -1.23 -4.62 118.33 109.01 1k2r n VAL 310 Ca 0.00 -0.20 -0.32 0.00 -0.01 0.00 0.00 64.34 63.81 1k2r n VAL 310 Cb 0.00 -1.61 -0.16 0.00 -0.91 0.00 0.00 33.84 31.16 1k2r n VAL 310 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1k2r s VAL 311 N 0.12 2.37 0.18 2.52 1.01 -1.26 -1.05 120.40 124.29 1k2r s VAL 311 Ca 0.69 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.83 1k2r s VAL 311 Cb -0.61 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1k2r s VAL 311 CO 0.47 0.56 -0.12 -0.76 0.00 0.00 0.00 175.10 175.24 1k2r s LEU 312 N 0.10 2.86 -0.12 3.92 1.43 0.69 -4.94 118.68 122.61 1k2r s LEU 312 Ca -0.10 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1k2r s LEU 312 Cb -0.16 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1k2r s LEU 312 CO 0.06 0.11 -0.13 -0.89 0.23 0.00 0.00 176.35 175.73 1k2r s THR 313 N -1.70 3.11 -0.17 5.49 2.01 -1.26 0.14 115.64 123.25 1k2r s THR 313 Ca 0.24 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 1k2r s THR 313 Cb -0.09 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1k2r s THR 313 CO 0.14 0.53 -0.07 -0.62 -0.69 0.00 0.00 174.62 173.92 1k2r s ASP 314 N 0.23 4.41 0.00 3.53 -1.08 0.50 -4.62 116.67 119.64 1k2r s ASP 314 Ca -0.08 -0.27 0.00 0.00 -0.52 0.00 0.00 52.55 51.68 1k2r s ASP 314 Cb -0.15 -1.72 0.00 0.00 -1.46 0.00 0.00 42.92 39.59 1k2r s ASP 314 CO 0.05 0.11 0.00 0.35 0.52 0.00 0.00 175.17 176.20 1k2r n THR 315 N 3.94 0.00 0.03 1.71 -2.24 -0.51 -1.74 114.28 115.47 1k2r n THR 315 Ca -0.18 -0.03 0.18 0.00 -2.27 0.00 0.00 64.05 61.75 1k2r n THR 315 Cb 0.52 0.42 0.67 0.00 -2.10 0.00 0.00 70.33 69.85 1k2r n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1k2r h LEU 316 N 0.00 0.03 -2.45 3.22 6.46 -1.65 0.80 115.31 121.72 1k2r h LEU 316 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1k2r h LEU 316 Cb 0.00 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1k2r h LEU 316 CO 0.00 0.02 -0.03 1.12 -0.62 0.00 0.00 178.44 178.93 1k2r h HIS 317 N 0.03 0.00 -0.15 1.25 2.07 -1.85 -1.84 115.15 114.66 1k2r h HIS 317 Ca 0.22 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.79 1k2r h HIS 317 Cb 0.86 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.83 1k2r h HIS 317 CO -0.00 0.03 0.13 -0.07 -3.07 0.00 0.00 177.93 174.95 1k2r h LEU 318 N 0.00 0.00 -2.63 6.12 3.38 -1.18 0.91 115.31 121.91 1k2r h LEU 318 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1k2r h LEU 318 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1k2r h LEU 318 CO 0.00 0.00 0.09 0.29 0.09 0.00 0.00 178.44 178.91 1k2r n LYS 319 N -4.11 2.89 -2.06 1.13 5.02 -0.69 -4.94 118.16 115.40 1k2r n LYS 319 Ca 0.01 -1.80 -0.42 0.00 -2.02 0.00 0.00 58.31 54.08 1k2r n LYS 319 Cb 0.26 -1.88 -0.03 0.00 -0.02 0.00 0.00 35.03 33.35 1k2r n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k2r s SER 320 N -0.41 6.71 0.00 4.39 0.15 0.31 -4.90 113.70 119.95 1k2r s SER 320 Ca 0.32 2.48 0.00 0.00 0.70 0.00 0.00 55.95 59.44 1k2r s SER 320 Cb 0.25 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1k2r s SER 320 CO 0.08 -0.72 0.00 0.35 1.20 0.00 0.00 173.24 174.15 1k2r n THR 321 N 3.78 0.00 -0.33 6.45 -2.24 -1.06 -5.04 114.28 115.85 1k2r n THR 321 Ca 0.12 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.62 1k2r n THR 321 Cb 0.41 -0.58 0.26 0.00 -2.10 0.00 0.00 70.33 68.32 1k2r n THR 321 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k2r n LEU 322 N -0.63 -0.80 -4.56 3.22 4.77 -1.26 -5.01 117.00 112.72 1k2r n LEU 322 Ca 0.00 -0.66 -0.34 0.00 -0.03 0.00 0.00 56.01 54.98 1k2r n LEU 322 Cb 0.00 -1.00 -0.11 0.00 -2.33 0.00 0.00 43.42 39.97 1k2r n LEU 322 CO 0.00 -4.16 -0.33 -1.61 -1.33 0.00 0.00 177.39 169.96 1k2r s GLU 323 N -4.64 3.52 0.17 3.23 2.02 -1.26 -4.70 118.70 117.03 1k2r s GLU 323 Ca 0.62 -0.47 -0.14 0.00 0.02 0.00 0.00 54.97 54.99 1k2r s GLU 323 Cb -0.13 -2.91 0.12 0.00 0.10 0.00 0.00 34.13 31.30 1k2r s GLU 323 CO 0.55 0.37 1.75 1.79 0.02 0.00 0.00 175.26 179.73 1k2r h THR 324 N 4.84 0.85 0.00 3.63 1.35 -1.95 -3.46 112.91 118.16 1k2r h THR 324 Ca -0.37 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1k2r h THR 324 Cb 1.19 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1k2r h THR 324 CO 0.62 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1k2r n GLY 325 N -1.25 1.16 4.00 5.82 0.00 -1.26 -4.77 105.19 108.90 1k2r n GLY 325 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1k2r n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2r s THR 327 N -2.41 0.00 0.01 0.00 -4.23 0.15 -4.99 115.64 104.17 1k2r s THR 327 Ca 0.54 -1.88 0.32 0.00 -1.18 0.00 0.00 61.69 59.49 1k2r s THR 327 Cb -0.10 -2.56 0.38 0.00 1.34 0.00 0.00 72.50 71.57 1k2r s THR 327 CO 0.34 0.00 1.93 -0.33 -0.54 0.00 0.00 174.62 176.01 1k2r h GLU 328 N 2.10 0.00 0.00 3.99 3.07 -2.05 -3.10 114.58 118.59 1k2r h GLU 328 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1k2r h GLU 328 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1k2r h GLU 328 CO 0.36 0.00 -1.65 0.72 -1.40 0.00 0.00 179.01 177.05 1k2r n HIS 329 N -3.08 0.31 -3.76 4.33 8.25 -1.26 -4.96 115.22 115.06 1k2r n HIS 329 Ca 0.01 0.09 -0.12 0.00 -0.26 0.00 0.00 57.72 57.44 1k2r n HIS 329 Cb 0.34 -0.64 -0.12 0.00 1.12 0.00 0.00 29.99 30.69 1k2r n HIS 329 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1k2r s ILE 330 N -3.46 -0.02 -0.23 1.59 1.01 -1.17 -5.13 121.20 113.79 1k2r s ILE 330 Ca -0.05 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 1k2r s ILE 330 Cb 0.13 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 1k2r s ILE 330 CO 0.87 0.02 0.05 0.00 0.00 0.00 0.00 174.94 175.88 1k2r n MET 332 N 4.72 2.00 -0.42 0.00 2.81 -1.26 -4.77 117.12 120.20 1k2r n MET 332 Ca -0.16 -3.13 0.37 0.00 -1.81 0.00 0.00 57.70 52.96 1k2r n MET 332 Cb 0.51 -1.95 0.70 0.00 -0.71 0.00 0.00 33.22 31.78 1k2r n MET 332 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1k2r h GLY 333 N 1.03 0.47 -2.45 3.03 0.00 -1.95 -0.09 103.07 103.09 1k2r h GLY 333 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1k2r h GLY 333 CO 0.64 -0.10 0.00 -1.14 0.00 0.00 0.00 176.54 175.94 1k2r n SER 334 N -4.31 3.57 -4.66 0.19 3.41 -1.26 -4.87 113.62 105.69 1k2r n SER 334 Ca 0.31 -2.00 -0.42 0.00 -0.26 0.00 0.00 58.87 56.51 1k2r n SER 334 Cb 1.36 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 64.83 1k2r n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1k2r s ILE 335 N -1.12 4.84 0.43 -1.33 -1.09 -0.05 -4.93 121.20 117.96 1k2r s ILE 335 Ca 0.45 1.68 0.18 0.00 -2.23 0.00 0.00 60.65 60.73 1k2r s ILE 335 Cb 0.23 -4.16 0.38 0.00 -1.58 0.00 0.00 42.46 37.34 1k2r s ILE 335 CO 0.31 -0.02 1.88 -0.03 -1.23 0.00 0.00 174.94 175.84 1k2r h MET 336 N 7.41 0.35 -1.32 2.79 4.05 -1.90 -3.36 114.93 122.96 1k2r h MET 336 Ca -0.27 -0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 58.98 1k2r h MET 336 Cb 1.12 -0.08 -0.23 0.00 -0.80 0.00 0.00 31.60 31.60 1k2r h MET 336 CO 0.86 0.23 -0.52 -0.48 0.23 0.00 0.00 176.91 177.23 1k2r s LEU 337 N -9.32 -1.07 0.03 3.39 0.05 -1.26 -5.17 118.68 105.34 1k2r s LEU 337 Ca -0.08 -0.93 -0.14 0.00 0.05 0.00 0.00 54.13 53.03 1k2r s LEU 337 Cb 0.22 1.51 -0.07 0.00 -2.05 0.00 0.00 46.19 45.81 1k2r s LEU 337 CO 0.78 -0.21 1.21 -0.65 -0.55 0.00 0.00 176.35 176.92 1k2r h PRO 338 N 7.14 -0.39 0.00 1.48 0.11 -1.86 -3.54 132.00 134.94 1k2r h PRO 338 Ca 0.04 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1k2r h PRO 338 Cb 1.14 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1k2r h PRO 338 CO 0.14 -0.26 0.00 2.41 -0.21 0.00 0.00 178.00 180.08 1k2r n THR 350 N -3.46 0.00 -0.28 -1.15 -1.04 -1.26 -4.99 114.28 102.09 1k2r n THR 350 Ca -0.05 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.06 1k2r n THR 350 Cb 0.18 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 68.94 1k2r n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1k2r h LYS 351 N 0.00 0.33 0.00 -2.82 1.57 -1.94 2.92 116.57 116.62 1k2r h LYS 351 Ca 0.00 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1k2r h LYS 351 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1k2r h LYS 351 CO 0.00 0.22 -0.31 -0.44 -0.57 0.00 0.00 179.45 178.35 1k2r h ASP 352 N 0.34 0.00 0.13 0.86 3.32 -2.01 -2.67 116.42 116.39 1k2r h ASP 352 Ca 0.50 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.19 1k2r h ASP 352 Cb 0.92 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1k2r h ASP 352 CO -0.53 0.31 -1.97 1.56 -1.72 0.00 0.00 179.24 176.89 1k2r h GLN 353 N 0.00 0.28 -0.13 3.56 4.20 -0.31 -3.39 115.11 119.32 1k2r h GLN 353 Ca -0.00 -0.48 -0.02 0.00 0.06 0.00 0.00 58.65 58.21 1k2r h GLN 353 Cb 0.73 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1k2r h GLN 353 CO 0.04 1.23 0.01 1.25 -0.67 0.00 0.00 178.83 180.69 1k2r h LEU 354 N 0.08 0.22 -0.47 1.46 5.85 0.49 -3.10 115.31 119.84 1k2r h LEU 354 Ca -0.42 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.00 1k2r h LEU 354 Cb 2.04 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.99 1k2r h LEU 354 CO 0.10 0.45 0.19 0.15 -0.34 0.00 0.00 178.44 178.99 1k2r h PHE 355 N -0.01 0.71 -0.06 1.25 3.57 -1.69 0.89 116.94 121.58 1k2r h PHE 355 Ca 0.04 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1k2r h PHE 355 Cb 0.33 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1k2r h PHE 355 CO 0.02 0.60 -0.03 -1.00 -2.23 0.00 0.00 178.31 175.68 1k2r h PRO 356 N 0.61 -0.02 -0.81 6.41 0.13 -1.75 0.18 132.00 136.75 1k2r h PRO 356 Ca 0.16 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.37 1k2r h PRO 356 Cb 0.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.25 1k2r h PRO 356 CO -0.01 -0.01 0.47 -0.07 -0.23 0.00 0.00 178.00 178.15 1k2r h LEU 357 N -0.02 0.69 -0.69 1.56 3.38 -1.45 -0.61 115.31 118.19 1k2r h LEU 357 Ca 0.03 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1k2r h LEU 357 Cb 0.07 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1k2r h LEU 357 CO -0.08 0.41 0.29 0.00 0.09 0.00 0.00 178.44 179.16 1k2r h ALA 358 N 1.43 0.89 -0.09 1.53 0.00 -0.19 -2.41 119.26 120.43 1k2r h ALA 358 Ca 0.38 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1k2r h ALA 358 Cb 0.30 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1k2r h ALA 358 CO -0.22 0.49 0.04 -0.22 0.00 0.00 0.00 179.25 179.34 1k2r h LYS 359 N 0.97 0.13 -0.53 0.00 3.64 0.50 -1.31 116.57 119.98 1k2r h LYS 359 Ca 0.23 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.69 1k2r h LYS 359 Cb 0.18 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.90 1k2r h LYS 359 CO -0.02 0.23 0.05 1.49 -2.27 0.00 0.00 179.45 178.93 1k2r h GLU 360 N 0.01 0.17 0.07 1.90 4.81 -1.01 0.18 114.58 120.72 1k2r h GLU 360 Ca 0.03 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1k2r h GLU 360 Cb 0.14 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1k2r h GLU 360 CO -0.00 0.11 -0.03 0.35 -0.73 0.00 0.00 179.01 178.71 1k2r h PHE 361 N 0.18 -0.08 -0.52 0.92 3.57 -1.17 -1.70 116.94 118.14 1k2r h PHE 361 Ca 0.27 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1k2r h PHE 361 Cb 0.40 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1k2r h PHE 361 CO -0.28 -0.04 0.32 -0.07 -2.23 0.00 0.00 178.31 176.02 1k2r h LEU 362 N -0.11 0.61 -0.93 0.59 3.38 -0.70 0.21 115.31 118.37 1k2r h LEU 362 Ca -0.01 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1k2r h LEU 362 Cb 0.09 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 1k2r h LEU 362 CO 0.02 0.47 0.60 0.44 0.09 0.00 0.00 178.44 180.05 1k2r h ASP 363 N 0.70 0.98 0.52 -0.43 3.32 -0.91 0.86 116.42 121.47 1k2r h ASP 363 Ca 0.19 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1k2r h ASP 363 Cb -0.04 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1k2r h ASP 363 CO -0.04 0.66 -0.28 -0.61 -1.72 0.00 0.00 179.24 177.26 1k2r h GLN 364 N 1.14 -0.71 0.37 3.56 4.15 -0.48 -0.04 115.11 123.10 1k2r h GLN 364 Ca 0.38 0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.84 1k2r h GLN 364 Cb 0.04 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 1k2r h GLN 364 CO -0.13 -0.48 -0.41 -0.92 -1.93 0.00 0.00 178.83 174.96 1k2r h TYR 365 N -0.74 -1.13 -0.39 3.99 3.20 0.02 -1.37 116.97 120.54 1k2r h TYR 365 Ca -0.07 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.88 1k2r h TYR 365 Cb 0.58 0.45 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 1k2r h TYR 365 CO -0.06 -0.56 0.27 1.88 -1.64 0.00 0.00 178.16 178.04 1k2r h TYR 366 N -0.82 0.25 -0.48 -3.82 -1.99 -0.84 0.74 116.97 110.01 1k2r h TYR 366 Ca -0.03 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.59 1k2r h TYR 366 Cb 0.74 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.37 1k2r h TYR 366 CO -0.24 0.13 -0.15 1.03 -0.00 0.00 0.00 178.16 178.93 1k2r h SER 367 N 0.24 0.93 0.10 3.88 0.87 -0.53 0.13 113.55 119.18 1k2r h SER 367 Ca 0.18 -0.32 -0.09 0.00 -1.23 0.00 0.00 61.79 60.33 1k2r h SER 367 Cb 0.39 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1k2r h SER 367 CO -0.03 1.08 -0.31 0.77 -0.53 0.00 0.00 176.83 177.81 1k2r h SER 368 N 0.82 0.32 -0.39 6.23 4.64 0.22 -2.56 113.55 122.83 1k2r h SER 368 Ca 0.12 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1k2r h SER 368 Cb 0.70 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1k2r h SER 368 CO 0.05 0.62 0.00 2.30 -0.87 0.00 0.00 176.83 178.93 1k2r n ILE 369 N -4.10 1.54 -3.82 0.95 -5.35 -0.58 -4.93 119.36 103.06 1k2r n ILE 369 Ca -0.01 -0.84 -0.24 0.00 -0.27 0.00 0.00 62.75 61.39 1k2r n ILE 369 Cb 0.41 -0.22 0.01 0.00 -1.74 0.00 0.00 39.64 38.10 1k2r n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1k2r n LYS 370 N 0.50 -3.90 -1.42 6.28 5.02 -0.93 -4.88 118.16 118.83 1k2r n LYS 370 Ca 0.17 0.51 0.02 0.00 -2.02 0.00 0.00 58.31 56.99 1k2r n LYS 370 Cb 0.77 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.97 1k2r n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1k2r n ARG 371 N -4.32 0.01 -1.85 1.97 5.12 0.40 -5.04 116.66 112.96 1k2r n ARG 371 Ca -0.30 -1.83 -0.42 0.00 -1.93 0.00 0.00 57.85 53.38 1k2r n ARG 371 Cb 0.68 0.08 -0.03 0.00 -1.16 0.00 0.00 32.46 32.03 1k2r n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1k2r s PHE 372 N -0.02 2.37 0.00 -1.55 5.36 -1.11 -1.72 117.98 121.31 1k2r s PHE 372 Ca 0.28 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 1k2r s PHE 372 Cb 0.32 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 1k2r s PHE 372 CO -0.14 -4.20 0.00 0.41 -1.46 0.00 0.00 175.22 169.83 1k2r n GLY 373 N 4.06 3.01 3.17 13.12 0.00 -1.26 -5.02 105.19 122.28 1k2r n GLY 373 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1k2r n GLY 373 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2r n SER 374 N 0.00 -2.59 -0.15 1.61 3.41 -0.70 -4.50 113.62 110.69 1k2r n SER 374 Ca 0.00 -0.10 -0.11 0.00 -0.26 0.00 0.00 58.87 58.40 1k2r n SER 374 Cb 0.00 -0.79 -0.01 0.00 -0.26 0.00 0.00 64.21 63.15 1k2r n SER 374 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1k2r h LYS 375 N -1.73 0.86 -0.33 4.33 3.64 -1.95 -0.86 116.57 120.52 1k2r h LYS 375 Ca -0.48 -0.35 0.06 0.00 -1.27 0.00 0.00 60.65 58.61 1k2r h LYS 375 Cb 1.36 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.08 1k2r h LYS 375 CO 0.32 0.99 -0.03 0.00 -2.27 0.00 0.00 179.45 178.46 1k2r h ALA 376 N 0.85 0.27 0.18 5.00 0.00 -1.91 1.01 119.26 124.65 1k2r h ALA 376 Ca 0.10 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1k2r h ALA 376 Cb 0.69 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1k2r h ALA 376 CO 0.05 -0.43 -0.39 1.25 0.00 0.00 0.00 179.25 179.73 1k2r h HIS 377 N 0.06 -1.09 -0.69 0.00 -0.00 -1.70 0.33 115.15 112.06 1k2r h HIS 377 Ca 0.16 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.56 1k2r h HIS 377 Cb 0.23 0.45 -0.03 0.00 -0.00 0.00 0.00 27.41 28.06 1k2r h HIS 377 CO -0.26 -0.51 0.46 0.52 -0.00 0.00 0.00 177.93 178.14 1k2r h MET 378 N -0.66 0.91 0.71 5.26 2.07 -0.46 -1.03 114.93 121.72 1k2r h MET 378 Ca 0.01 -0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.56 1k2r h MET 378 Cb 0.67 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 30.18 1k2r h MET 378 CO -0.19 0.60 -0.49 -0.44 1.07 0.00 0.00 176.91 177.45 1k2r h ASP 379 N 0.93 -1.28 -0.55 1.22 3.32 0.14 -0.45 116.42 119.75 1k2r h ASP 379 Ca 0.26 0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.50 1k2r h ASP 379 Cb -0.10 0.39 -0.11 0.00 0.22 0.00 0.00 39.33 39.73 1k2r h ASP 379 CO -0.06 -0.73 -0.19 -0.09 -1.72 0.00 0.00 179.24 176.46 1k2r h ARG 380 N -1.15 -0.05 -0.94 3.56 9.65 -0.83 0.40 114.38 125.03 1k2r h ARG 380 Ca -0.09 0.00 0.13 0.00 -1.10 0.00 0.00 59.98 58.92 1k2r h ARG 380 Cb 0.94 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.44 1k2r h ARG 380 CO 0.06 -0.03 0.57 1.25 2.80 0.00 0.00 179.97 184.61 1k2r h LEU 381 N -0.05 0.79 0.00 3.80 5.85 -0.94 0.21 115.31 124.97 1k2r h LEU 381 Ca 0.26 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1k2r h LEU 381 Cb 0.45 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1k2r h LEU 381 CO -0.59 0.40 -0.00 -0.08 -0.34 0.00 0.00 178.44 177.83 1k2r h GLU 382 N 0.86 -0.00 -0.57 1.25 4.57 0.11 -2.71 114.58 118.09 1k2r h GLU 382 Ca 0.48 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.77 1k2r h GLU 382 Cb 0.54 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.04 1k2r h GLU 382 CO -0.29 0.42 0.03 1.49 -1.18 0.00 0.00 179.01 179.47 1k2r h GLU 383 N -0.43 0.14 -0.36 1.92 4.81 0.51 -0.64 114.58 120.53 1k2r h GLU 383 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1k2r h GLU 383 Cb 0.43 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1k2r h GLU 383 CO 0.00 0.09 0.19 0.28 -0.73 0.00 0.00 179.01 178.85 1k2r h VAL 384 N 0.14 1.15 0.16 0.32 2.07 -1.01 0.12 116.25 119.20 1k2r h VAL 384 Ca 0.29 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1k2r h VAL 384 Cb 0.45 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1k2r h VAL 384 CO -0.46 0.15 -0.27 -1.13 0.02 0.00 0.00 177.57 175.89 1k2r h ASN 385 N 0.46 -0.74 -1.01 0.57 -1.24 -0.98 0.72 115.58 113.36 1k2r h ASN 385 Ca 0.13 0.08 0.08 0.00 0.71 0.00 0.00 56.30 57.30 1k2r h ASN 385 Cb 0.07 0.28 -0.07 0.00 0.73 0.00 0.00 38.32 39.33 1k2r h ASN 385 CO -0.02 -0.36 0.65 0.11 -1.29 0.00 0.00 177.43 176.52 1k2r h LYS 386 N -0.50 1.11 -0.54 6.67 1.79 -0.96 0.57 116.57 124.71 1k2r h LYS 386 Ca 0.02 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.35 1k2r h LYS 386 Cb 0.51 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1k2r h LYS 386 CO -0.13 0.73 0.06 1.49 -1.08 0.00 0.00 179.45 180.52 1k2r h GLU 387 N 1.14 0.91 -0.30 3.15 4.81 0.29 -0.37 114.58 124.22 1k2r h GLU 387 Ca 0.45 -0.26 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1k2r h GLU 387 Cb 0.25 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1k2r h GLU 387 CO -0.20 0.90 -0.18 0.82 -0.73 0.00 0.00 179.01 179.62 1k2r h ILE 388 N 0.80 1.30 -0.08 2.32 2.04 0.16 0.77 117.51 124.81 1k2r h ILE 388 Ca 0.16 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 1k2r h ILE 388 Cb 0.45 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1k2r h ILE 388 CO 0.02 0.42 0.02 -0.08 0.00 0.00 0.00 178.15 178.53 1k2r h GLU 389 N 0.39 0.11 0.00 2.37 4.57 0.26 0.36 114.58 122.64 1k2r h GLU 389 Ca 0.06 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1k2r h GLU 389 Cb 0.72 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1k2r h GLU 389 CO 0.05 0.10 -0.32 0.45 -1.18 0.00 0.00 179.01 178.11 1k2r n SER 390 N -4.50 1.06 -0.29 1.04 2.88 -0.16 -4.51 113.62 109.14 1k2r n SER 390 Ca -0.02 0.45 0.07 0.00 -1.33 0.00 0.00 58.87 58.05 1k2r n SER 390 Cb 0.11 -0.71 0.31 0.00 -0.75 0.00 0.00 64.21 63.17 1k2r n SER 390 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1k2r n THR 391 N -3.63 0.15 -1.63 2.46 -2.24 0.26 -4.89 114.28 104.77 1k2r n THR 391 Ca -0.04 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 1k2r n THR 391 Cb 0.17 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.41 1k2r n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k2r n SER 392 N -0.15 -3.62 -2.83 3.42 3.41 0.13 -4.78 113.62 109.19 1k2r n SER 392 Ca 0.11 0.29 0.01 0.00 -0.26 0.00 0.00 58.87 59.03 1k2r n SER 392 Cb 0.17 -3.30 0.01 0.00 -0.26 0.00 0.00 64.21 60.83 1k2r n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1k2r n THR 393 N -2.24 0.00 -3.89 6.66 5.66 -1.23 -4.84 114.28 114.40 1k2r n THR 393 Ca -0.14 -0.15 -0.08 0.00 -3.05 0.00 0.00 64.05 60.63 1k2r n THR 393 Cb 0.48 0.41 -0.03 0.00 -1.55 0.00 0.00 70.33 69.63 1k2r n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1k2r s TYR 394 N -2.56 -0.01 -0.06 1.09 -0.85 -1.26 -3.14 117.35 110.56 1k2r s TYR 394 Ca 0.19 -0.41 0.04 0.00 -0.52 0.00 0.00 57.07 56.37 1k2r s TYR 394 Cb -0.01 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.82 1k2r s TYR 394 CO 0.00 -1.13 -0.16 -0.65 -1.52 0.00 0.00 175.55 172.09 1k2r s GLN 395 N -3.95 2.57 0.19 -3.49 -1.52 -1.26 -5.05 119.66 107.15 1k2r s GLN 395 Ca 0.15 -0.73 -0.30 0.00 -1.95 0.00 0.00 55.36 52.53 1k2r s GLN 395 Cb -0.04 -2.36 -0.08 0.00 -0.22 0.00 0.00 33.01 30.31 1k2r s GLN 395 CO 0.07 0.55 0.94 -0.51 -0.25 0.00 0.00 175.29 176.09 1k2r s LEU 396 N -0.56 4.59 0.61 2.90 1.02 -1.26 -5.03 118.68 120.95 1k2r s LEU 396 Ca 0.08 1.88 -0.15 0.00 0.02 0.00 0.00 54.13 55.95 1k2r s LEU 396 Cb -0.11 -3.58 -0.03 0.00 0.02 0.00 0.00 46.19 42.49 1k2r s LEU 396 CO 0.01 0.09 1.06 -0.54 0.02 0.00 0.00 176.35 176.99 1k2r s LYS 397 N -0.77 3.25 0.20 1.70 1.02 -1.26 -4.80 119.74 119.08 1k2r s LYS 397 Ca 0.43 1.19 -0.20 0.00 0.02 0.00 0.00 55.97 57.40 1k2r s LYS 397 Cb -0.25 -2.02 0.16 0.00 -0.52 0.00 0.00 37.83 35.20 1k2r s LYS 397 CO 0.31 -0.87 1.57 -0.44 -0.92 0.00 0.00 175.35 175.00 1k2r h ASP 398 N 0.29 -1.30 -0.67 2.83 5.19 -2.00 -0.91 116.42 119.85 1k2r h ASP 398 Ca -0.46 0.26 0.10 0.00 -0.62 0.00 0.00 57.03 56.31 1k2r h ASP 398 Cb 1.22 0.66 -0.07 0.00 0.18 0.00 0.00 39.33 41.31 1k2r h ASP 398 CO 0.57 -0.30 0.29 0.71 -3.12 0.00 0.00 179.24 177.40 1k2r h THR 399 N -0.10 0.79 0.00 0.35 1.35 -2.00 -0.90 112.91 112.40 1k2r h THR 399 Ca 0.28 -0.17 -0.06 0.00 -0.55 0.00 0.00 66.41 65.90 1k2r h THR 399 Cb 0.57 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.23 1k2r h THR 399 CO -0.81 0.09 -0.29 -0.33 -0.25 0.00 0.00 175.52 173.93 1k2r h GLU 400 N 0.50 0.00 0.05 4.72 5.08 -1.56 -1.51 114.58 121.85 1k2r h GLU 400 Ca 0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1k2r h GLU 400 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1k2r h GLU 400 CO -0.30 0.29 -0.02 1.25 -1.00 0.00 0.00 179.01 179.23 1k2r h LEU 401 N 0.00 -0.06 -0.06 1.33 5.85 -0.24 0.33 115.31 122.46 1k2r h LEU 401 Ca -0.00 -0.54 0.04 0.00 0.84 0.00 0.00 57.88 58.22 1k2r h LEU 401 Cb 0.60 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1k2r h LEU 401 CO 0.04 0.54 -0.22 0.40 -0.34 0.00 0.00 178.44 178.85 1k2r h ILE 402 N -0.69 0.47 -0.46 4.05 2.04 -1.15 -0.22 117.51 121.55 1k2r h ILE 402 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1k2r h ILE 402 Cb 0.59 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1k2r h ILE 402 CO 0.01 0.00 0.19 0.22 0.00 0.00 0.00 178.15 178.57 1k2r h TYR 403 N -0.32 0.35 -0.37 1.37 3.20 -1.34 -1.53 116.97 118.33 1k2r h TYR 403 Ca 0.08 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1k2r h TYR 403 Cb 0.43 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1k2r h TYR 403 CO -0.29 0.15 0.18 0.78 -1.64 0.00 0.00 178.16 177.34 1k2r h GLY 404 N 0.39 0.50 0.92 1.82 0.00 -0.28 -0.86 103.07 105.56 1k2r h GLY 404 Ca 0.21 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 1k2r h GLY 404 CO -0.19 0.09 -0.06 0.00 0.00 0.00 0.00 176.54 176.38 1k2r h ALA 405 N 1.20 0.46 -0.67 3.60 0.00 -0.80 -0.78 119.26 122.27 1k2r h ALA 405 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1k2r h ALA 405 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1k2r h ALA 405 CO -0.11 0.29 0.38 0.87 0.00 0.00 0.00 179.25 180.68 1k2r h LYS 406 N 0.43 0.92 0.00 0.00 1.57 -1.14 -2.01 116.57 116.34 1k2r h LYS 406 Ca 0.09 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1k2r h LYS 406 Cb 0.55 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1k2r h LYS 406 CO 0.03 0.66 -0.05 0.45 -0.57 0.00 0.00 179.45 179.97 1k2r h HIS 407 N 0.93 0.00 -0.34 -1.35 3.86 -0.95 -1.00 115.15 116.31 1k2r h HIS 407 Ca 0.24 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.28 1k2r h HIS 407 Cb -0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 1k2r h HIS 407 CO 0.00 0.05 -0.45 0.00 0.86 0.00 0.00 177.93 178.39 1k2r h ALA 408 N 1.95 0.51 0.12 2.45 0.00 -0.42 -1.86 119.26 122.02 1k2r h ALA 408 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1k2r h ALA 408 Cb 0.94 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1k2r h ALA 408 CO 0.01 0.66 -0.06 2.35 0.00 0.00 0.00 179.25 182.21 1k2r h TRP 409 N 0.71 -0.15 -1.03 0.00 7.01 -1.30 -2.68 115.95 118.51 1k2r h TRP 409 Ca 0.04 -0.00 0.26 0.00 2.11 0.00 0.00 58.89 61.29 1k2r h TRP 409 Cb 1.05 0.05 -0.10 0.00 -2.10 0.00 0.00 29.16 28.06 1k2r h TRP 409 CO 0.07 0.13 0.64 -0.09 -2.79 0.00 0.00 178.44 176.40 1k2r h ARG 410 N -0.43 0.45 -0.09 2.65 2.43 -1.09 0.18 114.38 118.48 1k2r h ARG 410 Ca -0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1k2r h ARG 410 Cb 0.35 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1k2r h ARG 410 CO 0.03 0.30 0.00 0.09 -1.51 0.00 0.00 179.97 178.88 1k2r n ASN 411 N -4.71 1.39 -4.56 -3.80 3.02 -0.71 -4.80 115.26 101.09 1k2r n ASN 411 Ca 0.26 -1.58 -0.32 0.00 -0.03 0.00 0.00 54.58 52.91 1k2r n ASN 411 Cb 0.83 -0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.90 1k2r n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k2r s ALA 412 N -1.89 1.98 -0.33 5.41 0.00 0.65 -4.74 121.76 122.83 1k2r s ALA 412 Ca 0.35 -1.56 0.14 0.00 0.00 0.00 0.00 51.96 50.89 1k2r s ALA 412 Cb 0.18 -4.51 0.77 0.00 0.00 0.00 0.00 23.12 19.56 1k2r s ALA 412 CO 0.29 -4.40 1.39 -1.13 0.00 0.00 0.00 175.76 171.91 1k2r n SER 413 N 12.60 0.37 -0.30 0.00 3.41 -1.26 -1.48 113.62 126.95 1k2r n SER 413 Ca 0.35 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.68 1k2r n SER 413 Cb 0.48 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 1k2r n SER 413 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1k2r n ARG 414 N -2.00 1.46 -3.18 4.33 1.74 -1.26 0.64 116.66 118.39 1k2r n ARG 414 Ca -0.01 -0.64 -0.40 0.00 -0.77 0.00 0.00 57.85 56.04 1k2r n ARG 414 Cb 0.10 -1.34 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 1k2r n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k2r n VAL 416 N 4.59 0.39 -1.23 0.00 3.14 -1.26 -4.12 118.33 119.83 1k2r n VAL 416 Ca -0.03 -0.25 -0.19 0.00 -2.96 0.00 0.00 64.34 60.91 1k2r n VAL 416 Cb 0.50 -0.25 0.20 0.00 -1.06 0.00 0.00 33.84 33.24 1k2r n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k2r n GLY 417 N 1.35 4.43 0.00 7.55 0.00 -1.26 -4.37 105.19 112.88 1k2r n GLY 417 Ca 0.04 -1.09 0.06 0.00 0.00 0.00 0.00 46.02 45.03 1k2r n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2r n ARG 418 N -1.00 0.37 0.16 1.61 1.74 -1.26 -2.62 116.66 115.66 1k2r n ARG 418 Ca 0.54 0.03 0.13 0.00 -0.77 0.00 0.00 57.85 57.78 1k2r n ARG 418 Cb 1.55 -1.50 0.55 0.00 -1.02 0.00 0.00 32.46 32.04 1k2r n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1k2r h ILE 419 N 0.00 0.00 -0.22 0.55 2.10 -1.90 -1.45 117.51 116.59 1k2r h ILE 419 Ca 0.00 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.69 1k2r h ILE 419 Cb 0.02 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 1k2r h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 1k2r n GLN 420 N -2.40 2.27 -0.32 2.19 1.13 -1.08 -4.70 117.38 114.47 1k2r n GLN 420 Ca 0.01 -1.90 0.20 0.00 -1.94 0.00 0.00 57.00 53.37 1k2r n GLN 420 Cb 0.22 -1.48 0.40 0.00 0.11 0.00 0.00 30.24 29.49 1k2r n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1k2r h TRP 421 N 4.03 0.55 0.00 1.08 5.08 -1.46 -1.37 115.95 123.86 1k2r h TRP 421 Ca 0.00 0.05 0.00 0.00 1.08 0.00 0.00 58.89 60.02 1k2r h TRP 421 Cb 0.87 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.95 1k2r h TRP 421 CO 0.14 -0.28 0.00 0.66 -1.28 0.00 0.00 178.44 177.68 1k2r h SER 422 N 0.18 0.00 -0.66 0.11 4.64 -1.84 -3.30 113.55 112.68 1k2r h SER 422 Ca 0.67 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.57 1k2r h SER 422 Cb 1.49 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.41 1k2r h SER 422 CO -0.70 0.00 0.51 0.29 -0.87 0.00 0.00 176.83 176.06 1k2r n LYS 423 N -2.96 2.05 -3.40 4.77 5.02 -0.51 -4.92 118.16 118.19 1k2r n LYS 423 Ca 0.03 -2.00 -0.37 0.00 -2.02 0.00 0.00 58.31 53.95 1k2r n LYS 423 Cb 0.43 -1.81 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 1k2r n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1k2r s LEU 424 N -2.26 4.27 -0.25 -0.35 2.96 -1.24 -4.64 118.68 117.17 1k2r s LEU 424 Ca 0.41 0.70 -0.21 0.00 -0.22 0.00 0.00 54.13 54.81 1k2r s LEU 424 Cb 0.31 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 1k2r s LEU 424 CO -0.04 0.05 0.65 -1.58 -1.32 0.00 0.00 176.35 174.11 1k2r s GLN 425 N 0.51 4.13 -0.20 1.98 2.00 -1.09 -4.99 119.66 122.00 1k2r s GLN 425 Ca 0.22 0.60 -0.08 0.00 -2.00 0.00 0.00 55.36 54.10 1k2r s GLN 425 Cb -0.14 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 29.99 1k2r s GLN 425 CO 0.08 -0.41 0.07 0.08 -0.50 0.00 0.00 175.29 174.61 1k2r s VAL 426 N 2.48 4.73 -0.36 1.34 1.01 -1.26 -1.42 120.40 126.92 1k2r s VAL 426 Ca 0.27 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 1k2r s VAL 426 Cb -0.15 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.13 1k2r s VAL 426 CO 0.08 0.43 0.13 -0.36 0.00 0.00 0.00 175.10 175.39 1k2r s PHE 427 N 0.64 3.31 -0.59 5.22 0.08 0.05 -4.99 117.98 121.70 1k2r s PHE 427 Ca 0.03 -1.62 -0.27 0.00 0.12 0.00 0.00 56.93 55.19 1k2r s PHE 427 Cb -0.13 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.83 1k2r s PHE 427 CO 0.01 -0.79 1.58 0.34 -0.10 0.00 0.00 175.22 176.26 1k2r s ASP 428 N 1.57 5.81 -0.23 1.36 -1.08 -1.26 -1.50 116.67 121.34 1k2r s ASP 428 Ca -0.00 0.25 0.14 0.00 -0.52 0.00 0.00 52.55 52.42 1k2r s ASP 428 Cb -0.21 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.39 1k2r s ASP 428 CO 0.01 -1.97 1.61 0.00 0.52 0.00 0.00 175.17 175.35 1k2r n ALA 429 N 10.72 3.65 0.41 3.66 0.00 0.09 -4.65 120.51 134.38 1k2r n ALA 429 Ca 0.14 -2.21 0.05 0.00 0.00 0.00 0.00 53.44 51.42 1k2r n ALA 429 Cb 0.50 -0.95 0.23 0.00 0.00 0.00 0.00 19.45 19.22 1k2r n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k2r n ARG 430 N -0.05 0.08 0.00 0.00 1.74 -1.04 -1.97 116.66 115.41 1k2r n ARG 430 Ca 0.27 0.25 0.12 0.00 -0.77 0.00 0.00 57.85 57.73 1k2r n ARG 430 Cb 1.10 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 31.25 1k2r n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1k2r n ASP 431 N -1.38 1.66 -4.75 0.55 5.68 -1.26 -4.50 116.55 112.54 1k2r n ASP 431 Ca 0.04 -1.30 -0.37 0.00 -0.50 0.00 0.00 54.79 52.65 1k2r n ASP 431 Cb 0.09 0.25 0.03 0.00 -1.14 0.00 0.00 41.12 40.35 1k2r n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1k2r n THR 433 N -1.15 0.00 -4.34 0.00 -2.24 -1.26 -4.78 114.28 100.51 1k2r n THR 433 Ca 0.11 -0.04 -0.17 0.00 -2.27 0.00 0.00 64.05 61.67 1k2r n THR 433 Cb 0.47 0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 69.08 1k2r n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1k2r s THR 434 N -0.32 0.70 0.20 4.28 -4.23 -1.26 -4.66 115.64 110.34 1k2r s THR 434 Ca 0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 1k2r s THR 434 Cb 0.00 -2.66 0.07 0.00 1.34 0.00 0.00 72.50 71.25 1k2r s THR 434 CO 0.00 -0.01 1.65 0.00 -0.54 0.00 0.00 174.62 175.72 1k2r h ALA 435 N 2.33 0.88 -0.74 3.99 0.00 -1.91 -0.48 119.26 123.33 1k2r h ALA 435 Ca -0.39 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 1k2r h ALA 435 Cb 1.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1k2r h ALA 435 CO 0.63 0.65 0.24 0.45 0.00 0.00 0.00 179.25 181.22 1k2r h HIS 436 N 0.89 1.18 -0.35 0.00 3.86 -1.96 0.33 115.15 119.10 1k2r h HIS 436 Ca 0.15 -0.11 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1k2r h HIS 436 Cb 0.59 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 1k2r h HIS 436 CO 0.04 0.92 0.14 0.78 0.86 0.00 0.00 177.93 180.67 1k2r h GLY 437 N 1.09 0.45 0.92 2.45 0.00 -1.85 0.77 103.07 106.90 1k2r h GLY 437 Ca 0.24 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.50 1k2r h GLY 437 CO -0.01 0.05 0.43 -0.33 0.00 0.00 0.00 176.54 176.69 1k2r h MET 438 N 0.30 0.83 -0.69 4.80 0.00 -0.11 -0.68 114.93 119.39 1k2r h MET 438 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 59.70 59.81 1k2r h MET 438 Cb 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 31.60 31.48 1k2r h MET 438 CO -0.14 0.55 0.45 0.35 0.00 0.00 0.00 176.91 178.12 1k2r h PHE 439 N 0.86 0.85 -0.02 -0.22 3.04 0.50 0.44 116.94 122.39 1k2r h PHE 439 Ca 0.26 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.24 1k2r h PHE 439 Cb -0.02 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 38.20 1k2r h PHE 439 CO -0.04 0.53 0.01 -0.97 -2.02 0.00 0.00 178.31 175.82 1k2r h ASN 440 N 0.92 0.02 -0.68 0.41 -1.24 -0.08 0.09 115.58 115.01 1k2r h ASN 440 Ca 0.26 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.26 1k2r h ASN 440 Cb -0.09 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 1k2r h ASN 440 CO -0.06 0.02 0.45 1.88 -1.29 0.00 0.00 177.43 178.43 1k2r h TYR 441 N 0.02 0.85 -0.31 0.67 -1.99 -0.79 -2.22 116.97 113.20 1k2r h TYR 441 Ca 0.01 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 1k2r h TYR 441 Cb 0.01 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.43 1k2r h TYR 441 CO -0.08 0.54 0.12 0.82 -0.00 0.00 0.00 178.16 179.56 1k2r h ILE 442 N 0.92 1.19 -0.55 -2.88 2.04 -0.63 -1.08 117.51 116.53 1k2r h ILE 442 Ca 0.25 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.57 1k2r h ILE 442 Cb -0.10 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1k2r h ILE 442 CO -0.06 0.20 0.31 0.00 0.00 0.00 0.00 178.15 178.60 1k2r h ASN 444 N 0.61 0.31 -0.05 0.00 2.35 -1.20 -0.29 115.58 117.30 1k2r h ASN 444 Ca 0.23 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1k2r h ASN 444 Cb 0.08 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1k2r h ASN 444 CO -0.13 0.40 -0.04 -0.74 -1.65 0.00 0.00 177.43 175.28 1k2r h HIS 445 N 0.33 0.14 -0.94 1.19 2.76 0.14 -1.17 115.15 117.60 1k2r h HIS 445 Ca 0.07 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1k2r h HIS 445 Cb 0.29 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.17 1k2r h HIS 445 CO 0.01 0.55 0.62 0.28 -1.30 0.00 0.00 177.93 178.08 1k2r h VAL 446 N -0.31 1.20 -0.09 5.26 2.07 -0.25 -0.62 116.25 123.52 1k2r h VAL 446 Ca 0.01 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1k2r h VAL 446 Cb 0.52 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1k2r h VAL 446 CO 0.01 0.22 -0.13 0.50 0.02 0.00 0.00 177.57 178.20 1k2r h LYS 447 N 1.23 0.25 -0.41 1.57 3.64 -1.01 -1.40 116.57 120.44 1k2r h LYS 447 Ca 0.36 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1k2r h LYS 447 Cb -0.07 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1k2r h LYS 447 CO -0.09 0.71 0.24 -0.92 -2.27 0.00 0.00 179.45 177.12 1k2r h TYR 448 N -0.20 0.54 -0.39 1.91 3.20 -1.05 -2.10 116.97 118.88 1k2r h TYR 448 Ca 0.01 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.73 1k2r h TYR 448 Cb 0.68 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1k2r h TYR 448 CO 0.10 0.38 -0.36 0.00 -1.64 0.00 0.00 178.16 176.65 1k2r h ALA 449 N 1.11 0.63 -0.46 1.82 0.00 -1.16 -3.20 119.26 118.00 1k2r h ALA 449 Ca 0.15 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1k2r h ALA 449 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1k2r h ALA 449 CO -0.03 0.67 -0.26 1.15 0.00 0.00 0.00 179.25 180.78 1k2r h THR 450 N 0.75 1.27 -6.99 0.00 2.02 -1.19 -0.20 112.91 108.57 1k2r h THR 450 Ca 0.07 -1.43 -0.59 0.00 0.77 0.00 0.00 66.41 65.22 1k2r h THR 450 Cb 0.94 1.20 -0.29 0.00 -1.74 0.00 0.00 68.15 68.26 1k2r h THR 450 CO 0.09 0.49 -0.88 -3.20 0.37 0.00 0.00 175.52 172.38 1k2r n ASN 451 N -4.10 -2.09 -2.51 4.18 4.05 -0.80 -0.17 115.26 113.82 1k2r n ASN 451 Ca -0.01 -1.15 -0.20 0.00 0.45 0.00 0.00 54.58 53.67 1k2r n ASN 451 Cb 0.48 -2.12 0.01 0.00 1.23 0.00 0.00 39.78 39.39 1k2r n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1k2r n LYS 452 N -4.25 -3.02 0.00 1.20 5.02 -1.26 -2.69 118.16 113.16 1k2r n LYS 452 Ca 0.04 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 1k2r n LYS 452 Cb 0.50 -5.56 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 1k2r n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k2r n GLY 453 N -1.24 2.24 3.38 0.72 0.00 0.76 -4.94 105.19 106.10 1k2r n GLY 453 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 1k2r n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k2r n ASN 454 N 0.00 5.25 -4.67 1.61 4.05 -1.09 -0.55 115.26 119.86 1k2r n ASN 454 Ca 0.00 -3.00 -0.42 0.00 0.45 0.00 0.00 54.58 51.60 1k2r n ASN 454 Cb 0.00 -1.54 -0.00 0.00 1.23 0.00 0.00 39.78 39.47 1k2r n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1k2r n LEU 455 N 5.16 3.26 -3.95 1.20 4.77 -1.24 -4.42 117.00 121.79 1k2r n LEU 455 Ca 0.36 1.15 -0.24 0.00 -0.03 0.00 0.00 56.01 57.26 1k2r n LEU 455 Cb 0.42 -1.44 -0.17 0.00 -2.33 0.00 0.00 43.42 39.90 1k2r n LEU 455 CO 0.64 -0.82 -0.44 -0.13 -1.33 0.00 0.00 177.39 175.30 1k2r s ARG 456 N -1.94 1.36 0.49 3.23 0.52 -0.09 -5.01 118.95 117.51 1k2r s ARG 456 Ca 0.59 -0.27 -0.23 0.00 -0.52 0.00 0.00 55.73 55.29 1k2r s ARG 456 Cb -0.57 -1.25 -0.07 0.00 0.52 0.00 0.00 34.95 33.58 1k2r s ARG 456 CO 0.60 -0.08 1.33 -1.12 0.02 0.00 0.00 175.30 176.05 1k2r s SER 457 N 1.00 5.72 0.10 0.23 0.01 -1.26 -4.41 113.70 115.10 1k2r s SER 457 Ca -0.09 2.70 -0.25 0.00 1.31 0.00 0.00 55.95 59.62 1k2r s SER 457 Cb -0.15 -2.63 0.08 0.00 0.21 0.00 0.00 66.02 63.53 1k2r s SER 457 CO -0.00 -1.26 0.73 0.00 0.41 0.00 0.00 173.24 173.13 1k2r s ALA 458 N -1.32 -1.67 -0.09 1.44 0.00 0.34 -2.68 121.76 117.79 1k2r s ALA 458 Ca 0.65 0.63 -0.08 0.00 0.00 0.00 0.00 51.96 53.17 1k2r s ALA 458 Cb -0.39 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.45 1k2r s ALA 458 CO 0.48 -0.77 0.24 -1.50 0.00 0.00 0.00 175.76 174.21 1k2r s ILE 459 N -3.50 -0.00 -0.16 0.00 2.07 -0.51 -0.36 121.20 118.75 1k2r s ILE 459 Ca 0.04 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 1k2r s ILE 459 Cb -0.01 -0.34 -0.00 0.00 0.13 0.00 0.00 42.46 42.23 1k2r s ILE 459 CO -0.10 0.01 -0.15 -0.89 -1.91 0.00 0.00 174.94 171.90 1k2r s THR 460 N 0.26 2.70 -0.33 4.00 2.01 -0.64 -0.77 115.64 122.88 1k2r s THR 460 Ca -0.01 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 1k2r s THR 460 Cb -0.03 -2.15 0.04 0.00 0.01 0.00 0.00 72.50 70.38 1k2r s THR 460 CO -0.01 0.51 0.08 -0.63 -0.69 0.00 0.00 174.62 173.88 1k2r s ILE 461 N 0.83 3.60 0.93 1.82 1.01 -0.56 -3.23 121.20 125.59 1k2r s ILE 461 Ca -0.05 -1.17 -0.15 0.00 0.00 0.00 0.00 60.65 59.28 1k2r s ILE 461 Cb -0.15 -3.03 0.18 0.00 0.01 0.00 0.00 42.46 39.46 1k2r s ILE 461 CO -0.00 -0.15 1.29 -0.36 0.00 0.00 0.00 174.94 175.72 1k2r s PHE 462 N 1.37 1.77 0.24 3.97 0.08 -0.81 -0.73 117.98 123.87 1k2r s PHE 462 Ca -0.02 0.34 -0.31 0.00 0.12 0.00 0.00 56.93 57.06 1k2r s PHE 462 Cb -0.19 -3.99 -0.14 0.00 -0.57 0.00 0.00 43.02 38.13 1k2r s PHE 462 CO 0.02 -2.49 1.30 -2.30 -0.10 0.00 0.00 175.22 171.65 1k2r n PRO 463 N -3.66 1.78 -1.00 0.24 -0.02 -1.25 -4.60 135.00 126.48 1k2r n PRO 463 Ca 0.14 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.95 1k2r n PRO 463 Cb 0.60 -2.21 0.13 0.00 -0.02 0.00 0.00 33.50 31.99 1k2r n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1k2r s GLN 464 N -0.68 1.64 0.49 -0.52 -2.07 -1.26 -4.60 119.66 112.66 1k2r s GLN 464 Ca 0.67 1.32 -0.22 0.00 -1.82 0.00 0.00 55.36 55.31 1k2r s GLN 464 Cb -0.69 -1.82 -0.07 0.00 -1.09 0.00 0.00 33.01 29.35 1k2r s GLN 464 CO 0.53 -2.12 1.17 0.50 -1.32 0.00 0.00 175.29 174.04 1k2r s ARG 465 N -4.79 3.59 0.00 9.60 3.52 0.13 -4.94 118.95 126.06 1k2r s ARG 465 Ca 0.64 1.76 0.00 0.00 -0.13 0.00 0.00 55.73 57.99 1k2r s ARG 465 Cb -0.20 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 1k2r s ARG 465 CO 0.57 -0.69 0.00 0.25 -0.81 0.00 0.00 175.30 174.62 1k2r n THR 466 N -0.77 0.00 0.09 4.11 -2.24 -1.26 -4.77 114.28 109.44 1k2r n THR 466 Ca 0.09 0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.94 1k2r n THR 466 Cb 0.49 -0.76 0.10 0.00 -2.10 0.00 0.00 70.33 68.06 1k2r n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1k2r n ASP 467 N -1.69 2.47 0.00 3.42 5.75 -1.26 -4.97 116.55 120.27 1k2r n ASP 467 Ca 0.00 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1k2r n ASP 467 Cb 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1k2r n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k2r n GLY 468 N 0.54 2.64 0.92 6.12 0.00 -1.26 -4.77 105.19 109.38 1k2r n GLY 468 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1k2r n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k2r n LYS 469 N -1.98 2.26 -1.97 1.61 5.02 -1.26 -4.20 118.16 117.64 1k2r n LYS 469 Ca 0.00 -1.86 -0.09 0.00 -2.02 0.00 0.00 58.31 54.34 1k2r n LYS 469 Cb 0.00 -1.46 0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1k2r n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1k2r n HIS 470 N 1.26 1.57 -2.19 2.13 8.25 -1.26 -4.06 115.22 120.91 1k2r n HIS 470 Ca 0.14 -1.89 -0.41 0.00 -0.26 0.00 0.00 57.72 55.30 1k2r n HIS 470 Cb 0.59 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 1k2r n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k2r s ASP 471 N -3.43 6.87 -0.07 0.41 1.11 -1.26 -3.19 116.67 117.12 1k2r s ASP 471 Ca 0.40 2.57 -0.15 0.00 0.18 0.00 0.00 52.55 55.55 1k2r s ASP 471 Cb 0.38 -2.64 -0.05 0.00 1.07 0.00 0.00 42.92 41.68 1k2r s ASP 471 CO -0.02 -0.47 0.38 -0.36 1.18 0.00 0.00 175.17 175.87 1k2r s PHE 472 N -0.88 3.61 -0.04 4.23 0.40 -1.26 -1.30 117.98 122.74 1k2r s PHE 472 Ca 0.50 0.85 -0.12 0.00 -0.60 0.00 0.00 56.93 57.56 1k2r s PHE 472 Cb -0.38 -2.34 0.02 0.00 0.51 0.00 0.00 43.02 40.83 1k2r s PHE 472 CO 0.48 0.45 0.27 1.03 0.70 0.00 0.00 175.22 178.15 1k2r s ARG 473 N -0.34 0.53 -0.36 0.44 1.81 0.51 -3.46 118.95 118.08 1k2r s ARG 473 Ca 0.22 -0.05 -0.03 0.00 -1.72 0.00 0.00 55.73 54.15 1k2r s ARG 473 Cb -0.15 0.24 0.08 0.00 -0.45 0.00 0.00 34.95 34.67 1k2r s ARG 473 CO 0.10 -0.13 0.12 0.08 -0.68 0.00 0.00 175.30 174.80 1k2r s VAL 474 N -0.90 3.27 0.52 3.52 1.01 -1.26 -0.79 120.40 125.76 1k2r s VAL 474 Ca -0.10 -1.70 0.18 0.00 0.00 0.00 0.00 61.98 60.36 1k2r s VAL 474 Cb -0.05 -3.07 0.27 0.00 0.00 0.00 0.00 36.38 33.54 1k2r s VAL 474 CO 0.03 -0.43 2.14 -0.50 0.00 0.00 0.00 175.10 176.34 1k2r h TRP 475 N 8.06 0.00 -4.12 5.22 4.06 -1.76 -3.41 115.95 124.00 1k2r h TRP 475 Ca -0.17 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.24 1k2r h TRP 475 Cb 1.06 0.00 0.13 0.00 -1.00 0.00 0.00 29.16 29.35 1k2r h TRP 475 CO 0.58 0.03 0.46 -0.80 -3.56 0.00 0.00 178.44 175.15 1k2r s ASN 476 N -6.88 4.85 0.22 -3.49 -0.87 -1.26 -4.91 114.94 102.60 1k2r s ASN 476 Ca -0.05 2.41 0.16 0.00 -1.57 0.00 0.00 52.86 53.82 1k2r s ASN 476 Cb 0.16 -2.60 0.02 0.00 -0.02 0.00 0.00 41.25 38.81 1k2r s ASN 476 CO 0.65 -1.82 1.25 0.77 -2.57 0.00 0.00 177.10 175.38 1k2r h SER 477 N 0.52 0.00 -5.04 -1.22 4.64 -1.90 -3.35 113.55 107.21 1k2r h SER 477 Ca -0.50 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.69 1k2r h SER 477 Cb 1.30 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.20 1k2r h SER 477 CO 0.53 0.47 -0.52 -1.10 -0.87 0.00 0.00 176.83 175.34 1k2r s GLN 478 N -2.99 0.53 0.49 4.77 -0.21 -1.26 -0.94 119.66 120.05 1k2r s GLN 478 Ca 0.02 -0.60 0.21 0.00 0.02 0.00 0.00 55.36 55.01 1k2r s GLN 478 Cb 0.08 0.21 1.28 0.00 1.00 0.00 0.00 33.01 35.58 1k2r s GLN 478 CO 0.76 -0.13 2.05 -0.07 -2.12 0.00 0.00 175.29 175.79 1k2r h LEU 479 N 3.98 0.00 -7.31 2.90 3.38 -1.63 -3.39 115.31 113.23 1k2r h LEU 479 Ca -0.32 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.19 1k2r h LEU 479 Cb 1.19 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.55 1k2r h LEU 479 CO 0.46 0.14 -0.76 -0.63 0.09 0.00 0.00 178.44 177.73 1k2r s ILE 480 N -4.46 0.29 0.02 1.22 1.01 -1.26 -4.90 121.20 113.12 1k2r s ILE 480 Ca -0.04 -0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.35 1k2r s ILE 480 Cb 0.15 -0.67 0.02 0.00 0.01 0.00 0.00 42.46 41.97 1k2r s ILE 480 CO 0.63 -0.01 0.30 -0.13 0.00 0.00 0.00 174.94 175.73 1k2r s ARG 481 N 1.99 0.75 0.29 2.79 0.52 -1.26 -4.86 118.95 119.17 1k2r s ARG 481 Ca 0.02 -0.41 -0.22 0.00 -0.52 0.00 0.00 55.73 54.60 1k2r s ARG 481 Cb -0.15 0.33 -0.09 0.00 0.52 0.00 0.00 34.95 35.56 1k2r s ARG 481 CO -0.07 -0.23 0.85 0.71 0.02 0.00 0.00 175.30 176.58 1k2r s TYR 482 N -2.13 3.62 0.70 -0.53 4.12 -1.26 -0.96 117.35 120.91 1k2r s TYR 482 Ca -0.08 1.58 -0.13 0.00 0.02 0.00 0.00 57.07 58.46 1k2r s TYR 482 Cb -0.02 -2.77 0.02 0.00 -1.52 0.00 0.00 41.96 37.66 1k2r s TYR 482 CO -0.01 0.22 1.09 0.00 0.02 0.00 0.00 175.55 176.87 1k2r s ALA 483 N -1.66 2.45 -0.05 3.71 0.00 0.24 -4.46 121.76 121.99 1k2r s ALA 483 Ca 0.49 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1k2r s ALA 483 Cb -0.16 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1k2r s ALA 483 CO 0.21 -1.40 -0.09 0.20 0.00 0.00 0.00 175.76 174.68 1k2r s GLY 484 N -3.09 0.61 -0.02 0.00 0.00 -1.25 -1.36 107.32 102.21 1k2r s GLY 484 Ca 0.63 -0.27 0.03 0.00 0.00 0.00 0.00 44.72 45.11 1k2r s GLY 484 CO 0.48 0.17 -0.11 -0.19 0.00 0.00 0.00 173.10 173.45 1k2r s TYR 485 N 0.62 1.06 -0.00 1.90 1.51 0.22 -4.14 117.35 118.52 1k2r s TYR 485 Ca -0.11 -0.24 -0.27 0.00 -1.01 0.00 0.00 57.07 55.44 1k2r s TYR 485 Cb -0.14 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 1k2r s TYR 485 CO 0.02 -0.07 0.87 0.15 -1.11 0.00 0.00 175.55 175.41 1k2r s LYS 486 N -0.04 4.53 0.41 -0.62 1.02 -1.26 0.13 119.74 123.90 1k2r s LYS 486 Ca 0.00 1.22 0.08 0.00 0.02 0.00 0.00 55.97 57.29 1k2r s LYS 486 Cb -0.07 -3.44 -0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1k2r s LYS 486 CO 0.00 0.05 0.48 -0.65 -0.92 0.00 0.00 175.35 174.32 1k2r s GLN 487 N 0.72 2.74 0.14 1.68 -0.21 -0.24 -4.89 119.66 119.59 1k2r s GLN 487 Ca 0.46 -1.33 -0.31 0.00 0.02 0.00 0.00 55.36 54.20 1k2r s GLN 487 Cb -0.20 -2.62 -0.07 0.00 1.00 0.00 0.00 33.01 31.12 1k2r s GLN 487 CO 0.25 -0.21 1.56 -1.35 -2.12 0.00 0.00 175.29 173.42 1k2r h PRO 488 N 0.82 -0.36 -0.98 2.91 0.11 -1.97 0.23 132.00 132.75 1k2r h PRO 488 Ca -0.41 0.02 0.40 0.00 0.11 0.00 0.00 66.00 66.12 1k2r h PRO 488 Cb 1.27 0.08 -0.16 0.00 0.11 0.00 0.00 31.00 32.30 1k2r h PRO 488 CO 0.50 -0.24 0.55 -3.47 -0.21 0.00 0.00 178.00 175.13 1k2r n ASP 489 N -5.40 0.31 0.00 -2.05 -0.08 -1.26 -4.69 116.55 103.38 1k2r n ASP 489 Ca -0.02 1.52 0.00 0.00 -1.51 0.00 0.00 54.79 54.77 1k2r n ASP 489 Cb 0.35 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 43.07 1k2r n ASP 489 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k2r n GLY 490 N -1.27 1.22 1.68 0.27 0.00 0.07 -5.10 105.19 102.05 1k2r n GLY 490 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 1k2r n GLY 490 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2r n SER 491 N 0.00 -0.65 -3.96 1.61 3.41 -1.26 -4.73 113.62 108.03 1k2r n SER 491 Ca 0.00 -1.03 -0.23 0.00 -0.26 0.00 0.00 58.87 57.35 1k2r n SER 491 Cb 0.00 -0.46 -0.16 0.00 -0.26 0.00 0.00 64.21 63.33 1k2r n SER 491 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1k2r s THR 492 N -2.13 0.88 -0.20 6.66 2.01 -1.26 -1.08 115.64 120.52 1k2r s THR 492 Ca 0.33 -0.32 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 1k2r s THR 492 Cb -0.02 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 1k2r s THR 492 CO 0.24 0.30 0.12 -0.22 -0.69 0.00 0.00 174.62 174.37 1k2r s LEU 493 N 0.83 4.13 0.00 4.42 1.98 0.34 -4.92 118.68 125.45 1k2r s LEU 493 Ca -0.12 0.20 0.00 0.00 -2.89 0.00 0.00 54.13 51.32 1k2r s LEU 493 Cb -0.15 -2.06 0.00 0.00 0.66 0.00 0.00 46.19 44.64 1k2r s LEU 493 CO 0.02 0.18 0.00 0.61 -1.89 0.00 0.00 176.35 175.26 1k2r n GLY 494 N 3.53 0.89 3.37 7.98 0.00 -1.26 0.73 105.19 120.44 1k2r n GLY 494 Ca -0.16 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 1k2r n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2r s ASP 495 N -4.00 5.96 0.56 1.61 -1.08 -0.47 -4.77 116.67 114.48 1k2r s ASP 495 Ca 0.00 -1.23 0.28 0.00 -0.52 0.00 0.00 52.55 51.08 1k2r s ASP 495 Cb 0.00 -2.11 1.46 0.00 -1.46 0.00 0.00 42.92 40.81 1k2r s ASP 495 CO 0.00 -0.54 1.96 -0.65 0.52 0.00 0.00 175.17 176.46 1k2r h PRO 496 N 8.60 0.00 0.00 4.34 0.11 -1.80 -0.67 132.00 142.58 1k2r h PRO 496 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1k2r h PRO 496 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1k2r h PRO 496 CO 0.79 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 1k2r h ALA 497 N 1.63 1.00 -0.09 -0.75 0.00 -1.92 -2.98 119.26 116.15 1k2r h ALA 497 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1k2r h ALA 497 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1k2r h ALA 497 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1k2r n ASN 498 N -3.09 2.15 -0.35 0.00 3.02 -0.26 -4.76 115.26 111.97 1k2r n ASN 498 Ca -0.01 -1.58 -0.04 0.00 -0.03 0.00 0.00 54.58 52.92 1k2r n ASN 498 Cb 0.22 -0.05 0.01 0.00 -0.61 0.00 0.00 39.78 39.34 1k2r n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1k2r h VAL 499 N 2.13 0.03 -0.55 2.41 2.07 -1.50 0.25 116.25 121.08 1k2r h VAL 499 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1k2r h VAL 499 Cb 0.52 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1k2r h VAL 499 CO 0.00 0.00 0.29 -0.61 0.02 0.00 0.00 177.57 177.27 1k2r h GLN 500 N -0.05 0.53 -0.28 1.57 4.15 -1.85 -1.54 115.11 117.64 1k2r h GLN 500 Ca 0.28 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.61 1k2r h GLN 500 Cb 0.56 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1k2r h GLN 500 CO -0.91 0.35 -0.06 0.35 -1.93 0.00 0.00 178.83 176.63 1k2r h PHE 501 N 0.55 0.61 -0.29 3.99 3.57 -1.48 -1.53 116.94 122.36 1k2r h PHE 501 Ca 0.25 -0.13 0.08 0.00 3.53 0.00 0.00 57.97 61.70 1k2r h PHE 501 Cb 0.15 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1k2r h PHE 501 CO -0.10 0.74 0.28 1.15 -2.23 0.00 0.00 178.31 178.15 1k2r h THR 502 N 0.30 0.53 0.01 4.41 2.02 -0.26 -0.15 112.91 119.76 1k2r h THR 502 Ca 0.07 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 1k2r h THR 502 Cb 0.54 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1k2r h THR 502 CO 0.03 0.00 -0.14 -0.33 0.37 0.00 0.00 175.52 175.45 1k2r h GLU 503 N 0.00 0.08 -0.63 6.66 5.08 -0.66 -2.62 114.58 122.49 1k2r h GLU 503 Ca 0.14 -0.10 0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1k2r h GLU 503 Cb 0.69 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1k2r h GLU 503 CO -0.00 0.91 0.42 0.82 -1.00 0.00 0.00 179.01 180.16 1k2r h ILE 504 N -0.70 0.88 -0.16 3.13 2.04 -0.11 0.14 117.51 122.74 1k2r h ILE 504 Ca -0.02 -0.14 -0.22 0.00 1.00 0.00 0.00 64.86 65.48 1k2r h ILE 504 Cb 0.96 0.43 0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1k2r h ILE 504 CO 0.03 0.08 -0.76 0.00 0.00 0.00 0.00 178.15 177.49 1k2r h ILE 506 N 0.53 1.17 0.00 0.00 2.04 -0.71 0.60 117.51 121.13 1k2r h ILE 506 Ca -0.05 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1k2r h ILE 506 Cb 1.38 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1k2r h ILE 506 CO 0.16 0.15 -0.04 -0.61 0.00 0.00 0.00 178.15 177.81 1k2r h GLN 507 N 0.01 0.00 0.00 2.37 4.15 -0.82 -0.25 115.11 120.56 1k2r h GLN 507 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1k2r h GLN 507 Cb 0.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1k2r h GLN 507 CO -0.00 0.04 -0.24 0.94 -1.93 0.00 0.00 178.83 177.64 1k2r n GLN 508 N -4.00 0.26 0.00 1.69 -0.06 -0.88 -4.93 117.38 109.47 1k2r n GLN 508 Ca -0.03 0.16 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 1k2r n GLN 508 Cb 0.12 -1.75 0.00 0.00 -4.06 0.00 0.00 30.24 24.56 1k2r n GLN 508 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1k2r n GLY 509 N 1.33 1.43 3.68 1.69 0.00 -0.11 -5.02 105.19 108.19 1k2r n GLY 509 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 1k2r n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1k2r n TRP 510 N 0.00 2.35 -2.63 1.61 -0.00 0.13 -4.86 117.44 114.04 1k2r n TRP 510 Ca 0.00 0.04 -0.42 0.00 -0.00 0.00 0.00 57.50 57.11 1k2r n TRP 510 Cb 0.00 -2.65 -0.01 0.00 -0.00 0.00 0.00 31.31 28.65 1k2r n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1k2r s LYS 511 N 3.12 3.81 0.17 5.87 1.02 -1.26 -4.36 119.74 128.12 1k2r s LYS 511 Ca 0.88 -1.69 -0.32 0.00 0.02 0.00 0.00 55.97 54.85 1k2r s LYS 511 Cb -0.66 -5.38 -0.12 0.00 -0.52 0.00 0.00 37.83 31.16 1k2r s LYS 511 CO 0.46 -2.16 1.76 0.00 -0.92 0.00 0.00 175.35 174.49 1k2r n ALA 512 N 8.20 2.46 0.27 5.17 0.00 -1.26 -4.91 120.51 130.42 1k2r n ALA 512 Ca 0.40 0.37 0.16 0.00 0.00 0.00 0.00 53.44 54.37 1k2r n ALA 512 Cb 0.48 -2.54 0.61 0.00 0.00 0.00 0.00 19.45 18.00 1k2r n ALA 512 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1k2r h PRO 513 N 7.40 0.00 -3.69 0.00 0.11 -2.00 -3.47 132.00 130.35 1k2r h PRO 513 Ca -0.45 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.45 1k2r h PRO 513 Cb 1.21 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.40 1k2r h PRO 513 CO 0.95 0.03 -0.38 0.54 -0.21 0.00 0.00 178.00 178.93 1k2r n ARG 514 N -3.13 -4.39 -3.93 1.05 5.12 -1.26 -5.04 116.66 105.08 1k2r n ARG 514 Ca 0.01 0.46 -0.22 0.00 -1.93 0.00 0.00 57.85 56.16 1k2r n ARG 514 Cb 0.34 -4.37 -0.05 0.00 -1.16 0.00 0.00 32.46 27.22 1k2r n ARG 514 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1k2r s GLY 515 N -3.20 2.03 0.15 -0.13 0.00 -1.26 -5.04 107.32 99.87 1k2r s GLY 515 Ca 0.31 -1.86 -0.14 0.00 0.00 0.00 0.00 44.72 43.03 1k2r s GLY 515 CO 0.40 -1.74 1.72 -0.09 0.00 0.00 0.00 173.10 173.40 1k2r h ARG 516 N 1.35 0.71 -2.19 2.90 9.65 -1.93 -3.34 114.38 121.52 1k2r h ARG 516 Ca -0.43 -0.11 -0.60 0.00 -1.10 0.00 0.00 59.98 57.74 1k2r h ARG 516 Cb 1.26 -0.12 -0.42 0.00 -1.39 0.00 0.00 29.97 29.30 1k2r h ARG 516 CO 0.62 0.61 -0.63 1.19 2.80 0.00 0.00 179.97 184.57 1k2r n PHE 517 N -4.60 3.38 -3.24 2.20 3.01 -1.26 -4.04 117.46 112.91 1k2r n PHE 517 Ca 0.02 -4.12 -0.41 0.00 1.01 0.00 0.00 57.45 53.94 1k2r n PHE 517 Cb 0.13 -0.55 -0.08 0.00 -0.01 0.00 0.00 39.48 38.98 1k2r n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k2r s ASP 518 N -2.38 6.33 -0.13 4.37 1.01 -1.25 -4.91 116.67 119.71 1k2r s ASP 518 Ca 0.39 0.02 -0.29 0.00 0.71 0.00 0.00 52.55 53.39 1k2r s ASP 518 Cb 0.15 -2.27 -0.05 0.00 1.01 0.00 0.00 42.92 41.76 1k2r s ASP 518 CO -0.02 -0.46 1.80 -0.69 0.21 0.00 0.00 175.17 176.00 1k2r s VAL 519 N 2.39 3.41 0.83 -1.27 1.01 -1.26 0.80 120.40 126.31 1k2r s VAL 519 Ca 0.19 0.48 -0.11 0.00 0.00 0.00 0.00 61.98 62.54 1k2r s VAL 519 Cb -0.15 -3.39 0.10 0.00 0.00 0.00 0.00 36.38 32.94 1k2r s VAL 519 CO 0.13 -0.13 1.13 -0.76 0.00 0.00 0.00 175.10 175.47 1k2r s LEU 520 N 5.26 2.98 0.45 3.92 1.43 -0.14 -4.89 118.68 127.70 1k2r s LEU 520 Ca 0.80 2.07 -0.02 0.00 -1.03 0.00 0.00 54.13 55.95 1k2r s LEU 520 Cb -0.32 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.33 1k2r s LEU 520 CO 0.33 -2.58 0.70 -2.16 0.23 0.00 0.00 176.35 172.88 1k2r s PRO 521 N -4.64 3.27 0.12 1.29 0.04 -1.26 -4.76 135.00 129.05 1k2r s PRO 521 Ca 0.66 -0.20 -0.21 0.00 0.04 0.00 0.00 61.00 61.28 1k2r s PRO 521 Cb -0.21 -2.50 -0.07 0.00 0.04 0.00 0.00 34.50 31.76 1k2r s PRO 521 CO 0.55 -0.21 0.64 -0.51 0.04 0.00 0.00 177.00 177.51 1k2r s LEU 522 N -4.61 4.52 -0.43 -3.56 1.43 0.69 -4.86 118.68 111.86 1k2r s LEU 522 Ca 0.47 1.37 0.02 0.00 -1.03 0.00 0.00 54.13 54.96 1k2r s LEU 522 Cb -0.10 -3.11 0.12 0.00 0.03 0.00 0.00 46.19 43.13 1k2r s LEU 522 CO 0.40 0.22 0.17 -0.22 0.23 0.00 0.00 176.35 177.15 1k2r s LEU 523 N -1.27 4.77 -0.17 1.79 0.20 -1.25 -1.18 118.68 121.57 1k2r s LEU 523 Ca 0.33 -2.44 -0.07 0.00 0.69 0.00 0.00 54.13 52.64 1k2r s LEU 523 Cb -0.20 -1.69 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 1k2r s LEU 523 CO 0.21 -0.37 0.07 -0.76 -0.29 0.00 0.00 176.35 175.22 1k2r s LEU 524 N 0.52 3.89 -0.18 -0.68 1.43 0.10 -2.15 118.68 121.63 1k2r s LEU 524 Ca 0.13 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1k2r s LEU 524 Cb -0.22 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.03 1k2r s LEU 524 CO -0.05 0.21 -0.13 -1.58 0.23 0.00 0.00 176.35 175.03 1k2r s GLN 525 N 0.14 3.23 -0.02 1.70 0.74 0.03 -0.97 119.66 124.49 1k2r s GLN 525 Ca 0.05 -0.73 0.06 0.00 0.05 0.00 0.00 55.36 54.80 1k2r s GLN 525 Cb -0.12 -2.72 -0.01 0.00 1.10 0.00 0.00 33.01 31.26 1k2r s GLN 525 CO 0.00 -0.07 -0.21 0.00 -0.55 0.00 0.00 175.29 174.46 1k2r s ALA 526 N 1.05 1.76 -1.57 1.58 0.00 -1.26 -0.36 121.76 122.97 1k2r s ALA 526 Ca -0.01 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1k2r s ALA 526 Cb -0.15 -0.48 0.10 0.00 0.00 0.00 0.00 23.12 22.59 1k2r s ALA 526 CO -0.03 0.40 0.84 0.09 0.00 0.00 0.00 175.76 177.06 1k2r n ASN 527 N 2.70 -3.54 0.00 0.00 3.02 -1.24 -1.14 115.26 115.06 1k2r n ASN 527 Ca -0.16 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1k2r n ASN 527 Cb 0.53 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 1k2r n ASN 527 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k2r n GLY 528 N -1.61 0.95 3.59 7.41 0.00 -0.42 -4.44 105.19 110.67 1k2r n GLY 528 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1k2r n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k2r s ASN 529 N -2.74 1.08 0.34 1.61 0.01 -0.29 -4.88 114.94 110.07 1k2r s ASN 529 Ca 0.00 0.75 -0.26 0.00 -0.71 0.00 0.00 52.86 52.64 1k2r s ASN 529 Cb 0.00 -1.08 -0.09 0.00 0.41 0.00 0.00 41.25 40.49 1k2r s ASN 529 CO 0.00 -4.04 1.03 -1.81 -1.51 0.00 0.00 177.10 170.78 1k2r s ASP 530 N -3.75 7.06 0.50 -1.22 1.11 -1.26 -4.41 116.67 114.69 1k2r s ASP 530 Ca 0.70 2.05 -0.23 0.00 0.18 0.00 0.00 52.55 55.25 1k2r s ASP 530 Cb -0.12 -2.60 -0.06 0.00 1.07 0.00 0.00 42.92 41.22 1k2r s ASP 530 CO 0.57 -0.28 1.28 -2.16 1.18 0.00 0.00 175.17 175.76 1k2r s PRO 531 N -2.06 3.45 0.08 8.23 0.04 -1.26 -4.73 135.00 138.75 1k2r s PRO 531 Ca 0.52 2.06 0.09 0.00 0.04 0.00 0.00 61.00 63.70 1k2r s PRO 531 Cb -0.24 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1k2r s PRO 531 CO 0.30 -0.89 -0.23 -1.21 0.04 0.00 0.00 177.00 175.02 1k2r s GLU 532 N -2.77 1.38 0.18 4.56 2.02 -0.15 -4.83 118.70 119.10 1k2r s GLU 532 Ca 0.67 -1.14 -0.12 0.00 0.02 0.00 0.00 54.97 54.40 1k2r s GLU 532 Cb -0.36 -1.65 -0.07 0.00 0.10 0.00 0.00 34.13 32.16 1k2r s GLU 532 CO 0.43 0.40 0.54 -0.51 0.02 0.00 0.00 175.26 176.15 1k2r s LEU 533 N -1.64 4.26 -0.13 1.80 1.43 -1.25 -0.72 118.68 122.43 1k2r s LEU 533 Ca 0.09 1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 54.06 1k2r s LEU 533 Cb -0.10 -3.44 0.04 0.00 0.03 0.00 0.00 46.19 42.72 1k2r s LEU 533 CO 0.04 0.03 0.38 -0.36 0.23 0.00 0.00 176.35 176.67 1k2r s PHE 534 N -1.62 -0.41 -0.28 0.29 0.40 -0.33 -4.94 117.98 111.11 1k2r s PHE 534 Ca 0.42 0.98 -0.11 0.00 -0.60 0.00 0.00 56.93 57.61 1k2r s PHE 534 Cb -0.13 0.14 -0.05 0.00 0.51 0.00 0.00 43.02 43.49 1k2r s PHE 534 CO 0.20 -0.22 0.20 -1.14 0.70 0.00 0.00 175.22 174.96 1k2r s GLN 535 N 0.09 3.96 0.25 0.44 2.00 -1.26 -0.23 119.66 124.92 1k2r s GLN 535 Ca -0.01 -0.30 -0.31 0.00 -2.00 0.00 0.00 55.36 52.74 1k2r s GLN 535 Cb -0.03 -3.65 -0.11 0.00 0.80 0.00 0.00 33.01 30.02 1k2r s GLN 535 CO 0.01 -0.16 1.62 0.42 -0.50 0.00 0.00 175.29 176.67 1k2r s ILE 536 N 1.71 2.17 -0.19 -2.34 1.01 -1.26 -4.82 121.20 117.48 1k2r s ILE 536 Ca 0.07 0.13 -0.35 0.00 0.00 0.00 0.00 60.65 60.51 1k2r s ILE 536 Cb -0.16 -3.08 -0.12 0.00 0.01 0.00 0.00 42.46 39.11 1k2r s ILE 536 CO 0.10 0.02 1.96 -2.65 0.00 0.00 0.00 174.94 174.37 1k2r n PRO 537 N 2.97 1.76 -0.37 2.79 -0.02 -1.26 -4.75 135.00 136.11 1k2r n PRO 537 Ca 0.11 0.61 0.29 0.00 -2.02 0.00 0.00 63.50 62.49 1k2r n PRO 537 Cb 0.37 -2.57 0.56 0.00 -0.02 0.00 0.00 33.50 31.84 1k2r n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1k2r h PRO 538 N 10.07 0.24 0.00 0.52 0.11 -1.95 2.46 132.00 143.46 1k2r h PRO 538 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1k2r h PRO 538 Cb 1.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1k2r h PRO 538 CO 0.97 0.16 0.00 -0.85 -0.21 0.00 0.00 178.00 178.07 1k2r n GLU 539 N -4.76 0.13 0.00 1.05 0.00 -1.26 -1.24 120.64 114.56 1k2r n GLU 539 Ca 0.32 0.57 0.11 0.00 0.00 0.00 0.00 57.16 58.16 1k2r n GLU 539 Cb 1.12 -1.88 0.05 0.00 0.00 0.00 0.00 31.44 30.74 1k2r n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1k2r n LEU 540 N -2.15 1.94 -4.20 -1.84 4.77 0.83 -4.79 117.00 111.56 1k2r n LEU 540 Ca -0.00 -0.70 -0.41 0.00 -0.03 0.00 0.00 56.01 54.86 1k2r n LEU 540 Cb 0.08 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1k2r n LEU 540 CO 0.11 0.36 0.11 -0.69 -1.33 0.00 0.00 177.39 175.95 1k2r s VAL 541 N -2.46 4.39 -0.09 4.08 1.01 -0.37 -4.77 120.40 122.19 1k2r s VAL 541 Ca 0.20 -2.37 -0.30 0.00 0.00 0.00 0.00 61.98 59.51 1k2r s VAL 541 Cb 0.18 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1k2r s VAL 541 CO 0.55 -0.88 1.31 -0.22 0.00 0.00 0.00 175.10 175.87 1k2r s LEU 542 N 0.56 4.25 0.09 3.92 2.96 -1.26 -5.00 118.68 124.19 1k2r s LEU 542 Ca 0.13 1.86 0.08 0.00 -0.22 0.00 0.00 54.13 55.98 1k2r s LEU 542 Cb -0.20 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 1k2r s LEU 542 CO -0.04 -0.72 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.45 1k2r s GLU 543 N 2.98 1.22 -0.20 1.98 2.02 -1.26 -1.05 118.70 124.39 1k2r s GLU 543 Ca 0.59 -1.12 -0.00 0.00 0.02 0.00 0.00 54.97 54.45 1k2r s GLU 543 Cb -0.26 -1.46 0.02 0.00 0.10 0.00 0.00 34.13 32.53 1k2r s GLU 543 CO 0.20 0.35 -0.14 0.08 0.02 0.00 0.00 175.26 175.77 1k2r s VAL 544 N -1.06 2.47 0.08 2.63 1.01 0.22 -4.93 120.40 120.83 1k2r s VAL 544 Ca 0.07 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1k2r s VAL 544 Cb -0.10 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 1k2r s VAL 544 CO 0.04 0.44 1.19 -2.16 0.00 0.00 0.00 175.10 174.61 1k2r s PRO 545 N 1.33 4.45 -0.27 2.72 0.04 -1.26 -2.23 135.00 139.78 1k2r s PRO 545 Ca 0.04 1.77 -0.21 0.00 0.04 0.00 0.00 61.00 62.64 1k2r s PRO 545 Cb -0.14 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 1k2r s PRO 545 CO -0.09 -0.21 0.67 0.42 0.04 0.00 0.00 177.00 177.82 1k2r s ILE 546 N 0.86 4.93 0.06 0.56 -1.09 -0.09 -4.85 121.20 121.59 1k2r s ILE 546 Ca 0.57 1.12 0.03 0.00 -2.23 0.00 0.00 60.65 60.14 1k2r s ILE 546 Cb -0.30 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1k2r s ILE 546 CO 0.30 -0.06 -0.10 0.00 -1.23 0.00 0.00 174.94 173.86 1k2r s ARG 547 N 2.62 0.66 0.21 2.79 3.03 -1.26 -4.30 118.95 122.70 1k2r s ARG 547 Ca 0.28 -0.88 -0.07 0.00 2.03 0.00 0.00 55.73 57.08 1k2r s ARG 547 Cb -0.15 -0.47 -0.06 0.00 -1.03 0.00 0.00 34.95 33.24 1k2r s ARG 547 CO 0.10 0.09 0.50 -1.58 -1.13 0.00 0.00 175.30 173.27 1k2r s HIS 548 N -1.56 3.45 -2.00 5.89 2.46 -1.26 -4.30 115.29 117.96 1k2r s HIS 548 Ca -0.05 0.75 0.29 0.00 0.47 0.00 0.00 55.06 56.52 1k2r s HIS 548 Cb -0.09 -2.16 1.76 0.00 -0.13 0.00 0.00 32.58 31.96 1k2r s HIS 548 CO 0.01 0.30 2.12 -2.30 -2.47 0.00 0.00 174.74 172.40 1k2r n PRO 549 N -0.20 0.97 0.00 2.88 -0.02 -1.26 -4.06 135.00 133.31 1k2r n PRO 549 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1k2r n PRO 549 Cb 0.52 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1k2r n PRO 549 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1k2r n LYS 550 N -0.97 2.11 -3.63 -0.52 5.02 -1.26 -5.00 118.16 113.90 1k2r n LYS 550 Ca 0.22 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.12 1k2r n LYS 550 Cb 0.10 -0.18 -0.08 0.00 -0.02 0.00 0.00 35.03 34.85 1k2r n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1k2r s PHE 551 N 0.00 3.49 -1.51 2.13 2.99 -1.26 -4.90 117.98 118.92 1k2r s PHE 551 Ca 0.00 -2.48 0.05 0.00 0.00 0.00 0.00 56.93 54.50 1k2r s PHE 551 Cb 0.00 -3.35 0.24 0.00 0.00 0.00 0.00 43.02 39.91 1k2r s PHE 551 CO 0.00 -0.89 0.95 -0.25 -0.00 0.00 0.00 175.22 175.02 1k2r n ASP 552 N 3.79 0.00 0.05 1.36 8.00 -1.26 -0.75 116.55 127.73 1k2r n ASP 552 Ca 0.07 0.17 0.12 0.00 0.71 0.00 0.00 54.79 55.85 1k2r n ASP 552 Cb 0.40 -0.24 0.08 0.00 -0.02 0.00 0.00 41.12 41.33 1k2r n ASP 552 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1k2r n TRP 553 N -1.24 0.45 -0.27 1.24 4.27 -1.26 -4.16 117.44 116.46 1k2r n TRP 553 Ca 0.02 0.13 0.00 0.00 -3.89 0.00 0.00 57.50 53.76 1k2r n TRP 553 Cb 0.03 -0.58 0.13 0.00 -1.36 0.00 0.00 31.31 29.53 1k2r n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1k2r h PHE 554 N 0.00 0.80 -0.83 -2.67 3.57 -1.32 -0.61 116.94 115.88 1k2r h PHE 554 Ca 0.00 0.03 0.24 0.00 3.53 0.00 0.00 57.97 61.77 1k2r h PHE 554 Cb 0.77 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1k2r h PHE 554 CO 0.00 0.38 0.63 0.87 -2.23 0.00 0.00 178.31 177.95 1k2r h LYS 555 N 0.79 0.00 0.00 1.11 1.57 -1.75 0.25 116.57 118.54 1k2r h LYS 555 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1k2r h LYS 555 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1k2r h LYS 555 CO -0.20 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.43 1k2r n ASP 556 N -4.19 0.26 0.24 0.86 8.00 -0.24 -2.07 116.55 119.42 1k2r n ASP 556 Ca 0.17 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.35 1k2r n ASP 556 Cb 0.93 -0.61 0.57 0.00 -0.02 0.00 0.00 41.12 41.98 1k2r n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1k2r h LEU 557 N 0.00 0.00 1.22 0.64 4.07 -0.60 -3.46 115.31 117.17 1k2r h LEU 557 Ca 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.76 1k2r h LEU 557 Cb 0.33 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 1k2r h LEU 557 CO 0.00 0.17 -0.24 0.61 -1.08 0.00 0.00 178.44 177.90 1k2r n GLY 558 N -0.09 0.19 3.87 0.83 0.00 -0.88 -5.02 105.19 104.09 1k2r n GLY 558 Ca -0.00 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1k2r n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2r s LEU 559 N -2.70 4.10 0.06 0.99 1.43 -1.26 -5.01 118.68 116.29 1k2r s LEU 559 Ca 0.00 1.01 -0.27 0.00 -1.03 0.00 0.00 54.13 53.84 1k2r s LEU 559 Cb 0.00 -3.80 0.07 0.00 0.03 0.00 0.00 46.19 42.50 1k2r s LEU 559 CO 0.00 -0.14 0.66 -1.59 0.23 0.00 0.00 176.35 175.51 1k2r s LYS 560 N -3.01 1.15 0.18 1.70 -2.85 -1.26 -0.91 119.74 114.73 1k2r s LYS 560 Ca 0.49 -0.17 -0.05 0.00 -1.00 0.00 0.00 55.97 55.24 1k2r s LYS 560 Cb -0.11 0.53 -0.03 0.00 -2.06 0.00 0.00 37.83 36.17 1k2r s LYS 560 CO 0.22 -0.45 0.20 -0.46 0.10 0.00 0.00 175.35 174.96 1k2r s TRP 561 N -2.68 0.74 0.39 1.78 -0.11 -0.95 -4.95 118.94 113.16 1k2r s TRP 561 Ca -0.03 -1.06 -0.07 0.00 1.22 0.00 0.00 56.10 56.15 1k2r s TRP 561 Cb -0.01 -0.28 -0.05 0.00 -1.50 0.00 0.00 33.47 31.63 1k2r s TRP 561 CO -0.04 -0.68 0.71 1.52 -4.62 0.00 0.00 176.95 173.84 1k2r s TYR 562 N -4.05 3.49 -0.78 5.86 -0.85 -1.26 -0.61 117.35 119.16 1k2r s TYR 562 Ca 0.26 0.86 0.24 0.00 -0.52 0.00 0.00 57.07 57.91 1k2r s TYR 562 Cb 0.05 -2.30 0.30 0.00 0.38 0.00 0.00 41.96 40.39 1k2r s TYR 562 CO 0.05 -0.06 1.25 0.41 -1.52 0.00 0.00 175.55 175.69 1k2r n GLY 563 N -1.42 -1.28 3.20 5.49 0.00 -0.21 -4.82 105.19 106.14 1k2r n GLY 563 Ca 0.01 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1k2r n GLY 563 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k2r s LEU 564 N -3.64 4.69 -0.02 0.99 2.96 -1.26 -4.59 118.68 117.80 1k2r s LEU 564 Ca 0.07 -1.54 -0.29 0.00 -0.22 0.00 0.00 54.13 52.15 1k2r s LEU 564 Cb 0.15 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1k2r s LEU 564 CO 0.74 -0.43 0.93 -2.16 -1.32 0.00 0.00 176.35 174.12 1k2r s PRO 565 N 1.28 4.52 -0.45 0.98 0.04 -1.26 -4.72 135.00 135.39 1k2r s PRO 565 Ca 0.02 1.31 0.05 0.00 0.04 0.00 0.00 61.00 62.42 1k2r s PRO 565 Cb -0.21 -3.47 0.19 0.00 0.04 0.00 0.00 34.50 31.05 1k2r s PRO 565 CO -0.01 -0.06 0.51 0.00 0.04 0.00 0.00 177.00 177.48 1k2r n ALA 566 N 3.99 1.10 -1.66 8.56 0.00 -1.26 -3.64 120.51 127.61 1k2r n ALA 566 Ca 0.05 -2.38 -0.48 0.00 0.00 0.00 0.00 53.44 50.63 1k2r n ALA 566 Cb 0.51 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 1k2r n ALA 566 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k2r n VAL 567 N 2.69 0.07 -0.84 0.00 0.31 -1.03 -1.60 118.33 117.93 1k2r n VAL 567 Ca 0.24 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1k2r n VAL 567 Cb 0.52 -1.42 0.01 0.00 -0.91 0.00 0.00 33.84 32.03 1k2r n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1k2r n SER 568 N 3.64 0.65 -0.77 4.52 3.41 -0.12 -1.72 113.62 123.23 1k2r n SER 568 Ca 0.18 -1.48 0.07 0.00 -0.26 0.00 0.00 58.87 57.38 1k2r n SER 568 Cb 0.27 -0.04 0.21 0.00 -0.26 0.00 0.00 64.21 64.38 1k2r n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1k2r n ASN 569 N -0.21 3.41 -4.98 4.04 6.94 -1.22 -4.47 115.26 118.78 1k2r n ASN 569 Ca 0.01 -2.51 -0.20 0.00 -0.02 0.00 0.00 54.58 51.86 1k2r n ASN 569 Cb 0.46 -0.39 0.01 0.00 -2.36 0.00 0.00 39.78 37.50 1k2r n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1k2r s MET 570 N -1.91 2.95 -0.15 -3.83 -1.94 -1.26 -4.37 119.30 108.78 1k2r s MET 570 Ca 0.33 -0.87 -0.01 0.00 -1.71 0.00 0.00 55.69 53.42 1k2r s MET 570 Cb 0.23 -2.68 -0.01 0.00 2.01 0.00 0.00 34.83 34.38 1k2r s MET 570 CO 0.12 -0.22 -0.10 -1.17 -0.01 0.00 0.00 175.02 173.64 1k2r s LEU 571 N -4.41 2.84 -0.23 -0.03 2.96 0.33 -4.32 118.68 115.82 1k2r s LEU 571 Ca 0.50 -0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 53.96 1k2r s LEU 571 Cb -0.10 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1k2r s LEU 571 CO 0.35 0.13 0.31 -0.22 -1.32 0.00 0.00 176.35 175.59 1k2r s LEU 572 N 0.59 4.11 -0.19 -0.68 2.96 -0.45 -0.54 118.68 124.48 1k2r s LEU 572 Ca -0.06 0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 54.14 1k2r s LEU 572 Cb -0.15 -2.35 -0.01 0.00 0.50 0.00 0.00 46.19 44.18 1k2r s LEU 572 CO 0.03 -0.05 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.25 1k2r s GLU 573 N 1.40 3.44 -0.06 1.98 2.12 0.06 -0.19 118.70 127.45 1k2r s GLU 573 Ca 0.14 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1k2r s GLU 573 Cb -0.15 -2.94 0.02 0.00 0.26 0.00 0.00 34.13 31.33 1k2r s GLU 573 CO 0.07 -0.05 -0.03 0.42 -0.54 0.00 0.00 175.26 175.14 1k2r s ILE 574 N 1.10 0.48 -1.68 -3.70 1.01 -0.53 -2.01 121.20 115.87 1k2r s ILE 574 Ca 0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 1k2r s ILE 574 Cb -0.15 -0.56 0.14 0.00 0.01 0.00 0.00 42.46 41.91 1k2r s ILE 574 CO -0.00 0.24 0.75 0.61 0.00 0.00 0.00 174.94 176.54 1k2r n GLY 575 N 4.51 -0.42 2.46 6.18 0.00 -1.26 -0.10 105.19 116.56 1k2r n GLY 575 Ca -0.18 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1k2r n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2r n GLY 576 N -1.47 3.08 3.81 -0.02 0.00 -1.26 -3.52 105.19 105.81 1k2r n GLY 576 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1k2r n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2r s LEU 577 N 0.00 4.01 -0.21 0.99 1.43 0.86 -5.00 118.68 120.76 1k2r s LEU 577 Ca 0.00 1.80 0.02 0.00 -1.03 0.00 0.00 54.13 54.91 1k2r s LEU 577 Cb 0.00 -4.42 0.03 0.00 0.03 0.00 0.00 46.19 41.84 1k2r s LEU 577 CO 0.00 -0.40 -0.17 -1.61 0.23 0.00 0.00 176.35 174.40 1k2r s GLU 578 N -2.92 2.74 -0.61 1.70 2.02 -1.26 -1.46 118.70 118.91 1k2r s GLU 578 Ca 0.60 -1.00 -0.10 0.00 0.02 0.00 0.00 54.97 54.49 1k2r s GLU 578 Cb -0.13 -2.67 0.16 0.00 0.10 0.00 0.00 34.13 31.58 1k2r s GLU 578 CO 0.18 -0.33 0.50 -0.06 0.02 0.00 0.00 175.26 175.57 1k2r s PHE 579 N 1.23 3.49 -1.78 1.61 0.40 0.73 0.19 117.98 123.85 1k2r s PHE 579 Ca 0.00 -1.98 0.20 0.00 -0.60 0.00 0.00 56.93 54.55 1k2r s PHE 579 Cb -0.15 -3.57 1.11 0.00 0.51 0.00 0.00 43.02 40.92 1k2r s PHE 579 CO -0.10 -0.97 1.59 -1.13 0.70 0.00 0.00 175.22 175.31 1k2r n SER 580 N 4.44 0.00 -3.67 1.36 3.41 -1.26 -1.34 113.62 116.56 1k2r n SER 580 Ca -0.00 -0.38 -0.29 0.00 -0.26 0.00 0.00 58.87 57.94 1k2r n SER 580 Cb 0.42 -0.11 -0.15 0.00 -0.26 0.00 0.00 64.21 64.10 1k2r n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k2r s ALA 581 N -2.22 1.12 -0.43 7.33 0.00 -1.22 -4.60 121.76 121.73 1k2r s ALA 581 Ca 0.26 -1.28 0.08 0.00 0.00 0.00 0.00 51.96 51.01 1k2r s ALA 581 Cb 0.13 -1.46 0.28 0.00 0.00 0.00 0.00 23.12 22.08 1k2r s ALA 581 CO 0.26 -1.56 0.82 0.00 0.00 0.00 0.00 175.76 175.28 1k2r s PRO 583 N -0.49 3.77 0.04 0.00 0.04 -1.20 -4.74 135.00 132.42 1k2r s PRO 583 Ca 0.32 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1k2r s PRO 583 Cb 0.25 -2.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1k2r s PRO 583 CO -0.13 -0.73 -0.05 -0.59 0.04 0.00 0.00 177.00 175.55 1k2r s PHE 584 N -1.21 0.50 0.06 0.56 -0.12 -0.70 -1.62 117.98 115.44 1k2r s PHE 584 Ca 0.60 -0.71 -0.13 0.00 -0.05 0.00 0.00 56.93 56.64 1k2r s PHE 584 Cb -0.42 -0.33 0.02 0.00 -0.63 0.00 0.00 43.02 41.66 1k2r s PHE 584 CO 0.55 -0.21 0.30 -1.54 -0.05 0.00 0.00 175.22 174.27 1k2r s SER 585 N -2.05 -0.10 0.00 1.98 1.04 0.52 -2.47 113.70 112.61 1k2r s SER 585 Ca -0.05 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1k2r s SER 585 Cb -0.04 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1k2r s SER 585 CO -0.03 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1k2r n GLY 586 N 0.40 2.18 3.46 7.32 0.00 -1.24 -0.50 105.19 116.80 1k2r n GLY 586 Ca -0.18 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 1k2r n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k2r s TRP 587 N 1.72 -0.58 0.39 1.61 -2.14 -1.26 -4.58 118.94 114.10 1k2r s TRP 587 Ca 0.00 0.63 -0.26 0.00 2.66 0.00 0.00 56.10 59.13 1k2r s TRP 587 Cb 0.00 0.50 -0.09 0.00 -3.10 0.00 0.00 33.47 30.78 1k2r s TRP 587 CO 0.00 -0.76 1.18 0.71 -2.66 0.00 0.00 176.95 175.43 1k2r s TYR 588 N -2.77 3.06 -0.18 1.66 1.51 -1.26 -4.88 117.35 114.49 1k2r s TYR 588 Ca -0.04 1.54 -0.11 0.00 -1.01 0.00 0.00 57.07 57.46 1k2r s TYR 588 Cb -0.01 -3.43 -0.05 0.00 -0.11 0.00 0.00 41.96 38.37 1k2r s TYR 588 CO -0.04 -1.38 0.17 1.41 -1.11 0.00 0.00 175.55 174.60 1k2r s MET 589 N -2.23 4.12 0.19 -0.62 -2.45 -1.25 -0.44 119.30 116.62 1k2r s MET 589 Ca 0.56 -0.13 -0.22 0.00 -1.25 0.00 0.00 55.69 54.66 1k2r s MET 589 Cb -0.32 -3.39 0.11 0.00 1.25 0.00 0.00 34.83 32.48 1k2r s MET 589 CO 0.40 0.34 1.46 0.41 1.05 0.00 0.00 175.02 178.68 1k2r n GLY 590 N 3.30 -2.14 0.43 2.11 0.00 0.33 -1.47 105.19 107.74 1k2r n GLY 590 Ca -0.15 1.08 0.24 0.00 0.00 0.00 0.00 46.02 47.19 1k2r n GLY 590 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1k2r h THR 591 N 0.00 0.46 -0.80 2.61 1.35 -1.94 -1.53 112.91 113.06 1k2r h THR 591 Ca 0.26 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 66.21 1k2r h THR 591 Cb 0.49 0.58 -0.07 0.00 -1.73 0.00 0.00 68.15 67.42 1k2r h THR 591 CO -0.91 0.00 0.44 -0.33 -0.25 0.00 0.00 175.52 174.47 1k2r h GLU 592 N 0.00 0.71 0.00 4.72 5.08 -1.66 0.28 114.58 123.71 1k2r h GLU 592 Ca 0.31 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 1k2r h GLU 592 Cb 1.44 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1k2r h GLU 592 CO -0.00 0.47 -0.79 0.82 -1.00 0.00 0.00 179.01 178.51 1k2r h ILE 593 N 0.73 0.45 -0.75 3.13 2.04 -1.48 -1.97 117.51 119.66 1k2r h ILE 593 Ca 0.39 -1.55 0.06 0.00 1.00 0.00 0.00 64.86 64.76 1k2r h ILE 593 Cb 0.38 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1k2r h ILE 593 CO -0.26 0.15 0.45 1.23 0.00 0.00 0.00 178.15 179.72 1k2r h GLY 594 N -1.00 1.12 0.00 5.37 0.00 -1.36 0.20 103.07 107.40 1k2r h GLY 594 Ca -0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1k2r h GLY 594 CO -0.09 0.21 -0.73 -0.62 0.00 0.00 0.00 176.54 175.31 1k2r n VAL 595 N -4.71 1.45 0.07 4.60 0.31 0.04 -3.89 118.33 116.20 1k2r n VAL 595 Ca 0.10 0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 64.52 1k2r n VAL 595 Cb 0.17 -2.34 -0.05 0.00 -0.91 0.00 0.00 33.84 30.72 1k2r n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1k2r h ARG 596 N -1.00 -0.26 -0.48 5.55 2.47 -1.48 -1.97 114.38 117.21 1k2r h ARG 596 Ca -0.06 0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.58 1k2r h ARG 596 Cb 0.70 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.07 1k2r h ARG 596 CO -0.03 0.02 -0.09 -0.44 0.56 0.00 0.00 179.97 179.99 1k2r h ASP 597 N -1.00 0.91 0.17 7.04 3.32 -1.12 -2.07 116.42 123.67 1k2r h ASP 597 Ca -0.03 -0.35 -0.25 0.00 0.02 0.00 0.00 57.03 56.43 1k2r h ASP 597 Cb 0.40 -0.25 0.02 0.00 0.22 0.00 0.00 39.33 39.72 1k2r h ASP 597 CO 0.04 1.04 -1.12 1.88 -1.72 0.00 0.00 179.24 179.37 1k2r h TYR 598 N 0.76 0.66 0.00 4.55 0.99 -0.78 -1.47 116.97 121.69 1k2r h TYR 598 Ca 0.13 -0.48 0.00 0.00 2.00 0.00 0.00 58.73 60.37 1k2r h TYR 598 Cb 0.63 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.33 1k2r h TYR 598 CO 0.05 1.43 -1.60 0.00 -0.00 0.00 0.00 178.16 178.04 1k2r n ASP 600 N -1.96 0.97 -0.28 0.00 9.92 -0.78 -4.52 116.55 119.90 1k2r n ASP 600 Ca -0.01 1.09 -0.00 0.00 -0.53 0.00 0.00 54.79 55.34 1k2r n ASP 600 Cb 0.46 -1.28 0.20 0.00 -0.64 0.00 0.00 41.12 39.86 1k2r n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1k2r h ASN 601 N 1.66 0.97 -0.09 -2.24 -1.24 -1.93 -2.32 115.58 110.39 1k2r h ASN 601 Ca -0.41 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.57 1k2r h ASN 601 Cb 1.35 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 40.15 1k2r h ASN 601 CO 0.58 0.71 0.00 -1.20 -1.29 0.00 0.00 177.43 176.22 1k2r n SER 602 N -4.41 1.26 0.00 1.15 7.64 -1.26 -4.48 113.62 113.52 1k2r n SER 602 Ca 0.10 -1.56 0.00 0.00 1.01 0.00 0.00 58.87 58.42 1k2r n SER 602 Cb 0.02 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1k2r n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1k2r n ARG 603 N 0.02 0.00 0.00 1.43 5.12 -0.90 -4.34 116.66 118.00 1k2r n ARG 603 Ca 0.17 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.22 1k2r n ARG 603 Cb 0.28 0.00 0.62 0.00 -1.16 0.00 0.00 32.46 32.21 1k2r n ARG 603 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1k2r n TYR 604 N 0.00 0.00 -3.76 -1.55 4.02 -0.55 -4.54 117.16 110.78 1k2r n TYR 604 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 1k2r n TYR 604 Cb 0.00 -0.38 0.01 0.00 -0.02 0.00 0.00 39.34 38.95 1k2r n TYR 604 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1k2r n ASN 605 N -1.38 -1.87 -0.90 7.72 5.15 -0.66 -4.85 115.26 118.47 1k2r n ASN 605 Ca 0.10 -0.56 0.10 0.00 -0.60 0.00 0.00 54.58 53.62 1k2r n ASN 605 Cb 0.26 -0.70 0.27 0.00 -0.53 0.00 0.00 39.78 39.08 1k2r n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1k2r n ILE 606 N -2.57 0.46 -0.06 -1.44 -5.35 -0.36 -4.59 119.36 105.45 1k2r n ILE 606 Ca -0.07 -0.60 -0.07 0.00 -0.27 0.00 0.00 62.75 61.74 1k2r n ILE 606 Cb 0.26 0.59 -0.02 0.00 -1.74 0.00 0.00 39.64 38.73 1k2r n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1k2r h LEU 607 N 3.30 -0.25 0.01 7.28 3.38 -1.86 -2.45 115.31 124.72 1k2r h LEU 607 Ca 0.00 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1k2r h LEU 607 Cb 0.73 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1k2r h LEU 607 CO 0.00 -0.09 -0.12 -0.33 0.09 0.00 0.00 178.44 177.99 1k2r h GLU 608 N -0.00 -0.21 0.11 1.13 5.08 -2.00 -0.39 114.58 118.31 1k2r h GLU 608 Ca 0.12 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1k2r h GLU 608 Cb 0.19 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1k2r h GLU 608 CO -0.27 -0.14 -0.41 0.93 -1.00 0.00 0.00 179.01 178.12 1k2r h GLU 609 N -0.21 -0.62 -0.53 2.33 5.08 -1.87 0.26 114.58 119.02 1k2r h GLU 609 Ca 0.04 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1k2r h GLU 609 Cb 0.26 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1k2r h GLU 609 CO -0.11 -0.41 0.36 0.28 -1.00 0.00 0.00 179.01 178.12 1k2r h VAL 610 N -0.64 0.95 0.55 3.13 2.07 -1.31 -2.13 116.25 118.86 1k2r h VAL 610 Ca 0.02 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1k2r h VAL 610 Cb 0.67 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1k2r h VAL 610 CO -0.24 0.08 -0.26 0.00 0.02 0.00 0.00 177.57 177.16 1k2r h ALA 611 N 1.72 -0.74 -0.55 1.67 0.00 -0.10 -2.76 119.26 118.51 1k2r h ALA 611 Ca 0.24 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1k2r h ALA 611 Cb 0.37 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 1k2r h ALA 611 CO -0.06 -0.79 -0.48 0.87 0.00 0.00 0.00 179.25 178.79 1k2r h LYS 612 N -0.98 -0.18 0.00 0.00 1.57 -0.39 0.49 116.57 117.08 1k2r h LYS 612 Ca -0.08 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1k2r h LYS 612 Cb 0.63 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1k2r h LYS 612 CO 0.12 -0.12 0.10 1.63 -0.57 0.00 0.00 179.45 180.61 1k2r n LYS 613 N -4.90 0.07 0.00 3.15 5.02 -0.86 0.15 118.16 120.79 1k2r n LYS 613 Ca -0.01 0.54 0.12 0.00 -2.02 0.00 0.00 58.31 56.94 1k2r n LYS 613 Cb 0.25 -1.84 0.19 0.00 -0.02 0.00 0.00 35.03 33.61 1k2r n LYS 613 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1k2r n MET 614 N -1.88 0.67 -3.40 1.97 2.81 0.17 -5.00 117.12 112.46 1k2r n MET 614 Ca -0.01 -0.47 -0.19 0.00 -1.81 0.00 0.00 57.70 55.23 1k2r n MET 614 Cb 0.12 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.15 1k2r n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1k2r n ASP 615 N -0.76 -6.23 -4.12 7.83 2.03 0.39 -5.01 116.55 110.67 1k2r n ASP 615 Ca 0.09 -0.34 -0.12 0.00 0.52 0.00 0.00 54.79 54.95 1k2r n ASP 615 Cb 0.38 -3.19 -0.11 0.00 -0.72 0.00 0.00 41.12 37.48 1k2r n ASP 615 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1k2r s LEU 616 N -3.83 2.40 -0.36 -2.67 0.05 -1.26 -5.08 118.68 107.92 1k2r s LEU 616 Ca 0.12 -0.80 -0.28 0.00 0.05 0.00 0.00 54.13 53.22 1k2r s LEU 616 Cb -0.02 -0.12 -0.03 0.00 -2.05 0.00 0.00 46.19 43.97 1k2r s LEU 616 CO 0.84 -0.35 1.92 -0.62 -0.55 0.00 0.00 176.35 177.59 1k2r s ASP 617 N -2.39 5.62 -0.08 1.48 2.15 -1.26 -4.79 116.67 117.41 1k2r s ASP 617 Ca 0.02 1.25 0.18 0.00 0.43 0.00 0.00 52.55 54.43 1k2r s ASP 617 Cb -0.02 -2.52 0.65 0.00 -0.30 0.00 0.00 42.92 40.73 1k2r s ASP 617 CO -0.02 -1.94 1.56 0.23 -0.17 0.00 0.00 175.17 174.82 1k2r n MET 618 N 8.63 3.36 -0.13 4.34 2.81 -1.26 -4.41 117.12 130.46 1k2r n MET 618 Ca 0.25 -2.74 -0.13 0.00 -1.81 0.00 0.00 57.70 53.27 1k2r n MET 618 Cb 0.48 -1.74 -0.01 0.00 -0.71 0.00 0.00 33.22 31.23 1k2r n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k2r h ARG 619 N 3.77 0.97 -5.67 0.03 3.08 -2.04 -3.44 114.38 111.07 1k2r h ARG 619 Ca 0.00 -0.47 -0.53 0.00 0.07 0.00 0.00 59.98 59.05 1k2r h ARG 619 Cb 1.26 -0.00 -0.27 0.00 0.08 0.00 0.00 29.97 31.04 1k2r h ARG 619 CO 0.15 1.14 -0.83 -1.59 -1.07 0.00 0.00 179.97 177.77 1k2r s LYS 620 N -4.50 1.28 0.44 0.04 -2.85 -1.26 -5.03 119.74 107.86 1k2r s LYS 620 Ca -0.11 -0.73 0.15 0.00 -1.00 0.00 0.00 55.97 54.28 1k2r s LYS 620 Cb 0.12 -1.29 0.98 0.00 -2.06 0.00 0.00 37.83 35.57 1k2r s LYS 620 CO 0.88 0.34 1.97 1.79 0.10 0.00 0.00 175.35 180.43 1k2r h THR 621 N 4.58 1.12 0.00 3.79 1.35 -1.92 -2.77 112.91 119.06 1k2r h THR 621 Ca -0.38 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1k2r h THR 621 Cb 1.16 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1k2r h THR 621 CO 0.46 0.21 0.00 -1.54 -0.25 0.00 0.00 175.52 174.40 1k2r n SER 622 N -4.23 0.00 0.09 5.36 3.41 -1.26 -0.56 113.62 116.42 1k2r n SER 622 Ca -0.02 0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.78 1k2r n SER 622 Cb 0.28 -0.21 0.26 0.00 -0.26 0.00 0.00 64.21 64.27 1k2r n SER 622 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1k2r h SER 623 N 0.00 0.00 -5.85 4.04 4.64 -1.79 -3.47 113.55 111.11 1k2r h SER 623 Ca 0.00 -0.11 -0.40 0.00 -0.47 0.00 0.00 61.79 60.81 1k2r h SER 623 Cb 0.06 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.28 1k2r h SER 623 CO 0.00 0.06 -0.69 0.18 -0.87 0.00 0.00 176.83 175.51 1k2r n LEU 624 N -2.22 -3.41 0.08 5.97 4.77 0.27 -4.89 117.00 117.56 1k2r n LEU 624 Ca 0.04 -0.55 -0.02 0.00 -0.03 0.00 0.00 56.01 55.45 1k2r n LEU 624 Cb 0.44 -3.03 0.24 0.00 -2.33 0.00 0.00 43.42 38.74 1k2r n LEU 624 CO 0.34 0.64 0.69 4.11 -1.33 0.00 0.00 177.39 181.84 1k2r h TRP 625 N -2.66 0.33 -0.14 -1.77 5.08 -1.83 -0.13 115.95 114.83 1k2r h TRP 625 Ca -0.57 -0.08 -0.01 0.00 1.08 0.00 0.00 58.89 59.31 1k2r h TRP 625 Cb 1.37 -0.08 -0.01 0.00 -3.00 0.00 0.00 29.16 27.44 1k2r h TRP 625 CO 0.50 0.60 0.04 0.87 -1.28 0.00 0.00 178.44 179.17 1k2r h LYS 626 N 0.25 0.22 -0.86 0.12 1.57 -1.90 0.29 116.57 116.26 1k2r h LYS 626 Ca 0.03 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1k2r h LYS 626 Cb 0.73 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 1k2r h LYS 626 CO 0.06 0.36 0.44 -0.44 -0.57 0.00 0.00 179.45 179.30 1k2r h ASP 627 N 0.04 1.11 0.20 0.86 5.19 -1.89 0.22 116.42 122.14 1k2r h ASP 627 Ca 0.04 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1k2r h ASP 627 Cb 0.24 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.47 1k2r h ASP 627 CO -0.00 0.91 -0.09 -0.61 -3.12 0.00 0.00 179.24 176.33 1k2r h GLN 628 N 1.22 -0.25 -0.20 3.56 4.15 -0.79 -2.33 115.11 120.46 1k2r h GLN 628 Ca 0.30 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.73 1k2r h GLN 628 Cb 0.08 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1k2r h GLN 628 CO -0.04 -0.14 0.09 0.00 -1.93 0.00 0.00 178.83 176.81 1k2r h ALA 629 N 0.51 0.25 -0.74 3.38 0.00 -0.62 -2.98 119.26 119.06 1k2r h ALA 629 Ca -0.03 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.96 1k2r h ALA 629 Cb 0.23 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.81 1k2r h ALA 629 CO 0.04 -0.18 0.04 1.25 0.00 0.00 0.00 179.25 180.40 1k2r h LEU 630 N 0.18 -0.27 0.44 0.00 5.85 -0.39 -0.56 115.31 120.56 1k2r h LEU 630 Ca 0.07 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1k2r h LEU 630 Cb 0.13 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1k2r h LEU 630 CO -0.01 -0.15 -0.25 0.58 -0.34 0.00 0.00 178.44 178.27 1k2r h VAL 631 N 0.13 0.48 -0.95 1.05 2.07 -1.28 -2.34 116.25 115.42 1k2r h VAL 631 Ca 0.41 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.02 1k2r h VAL 631 Cb 0.72 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1k2r h VAL 631 CO -0.62 0.00 0.59 -0.33 0.02 0.00 0.00 177.57 177.22 1k2r h GLU 632 N -0.65 0.97 -0.47 1.57 4.39 -1.20 -1.13 114.58 118.05 1k2r h GLU 632 Ca -0.05 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1k2r h GLU 632 Cb 0.52 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1k2r h GLU 632 CO 0.07 0.64 0.26 0.82 -1.16 0.00 0.00 179.01 179.64 1k2r h ILE 633 N 1.00 1.02 0.00 3.13 2.04 -0.95 -1.54 117.51 122.20 1k2r h ILE 633 Ca 0.44 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 1k2r h ILE 633 Cb 0.34 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1k2r h ILE 633 CO -0.23 0.10 -0.03 0.78 0.00 0.00 0.00 178.15 178.77 1k2r h ASN 634 N 0.53 0.00 -0.35 1.72 4.21 -0.77 -2.38 115.58 118.53 1k2r h ASN 634 Ca 0.19 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.61 1k2r h ASN 634 Cb 0.05 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 1k2r h ASN 634 CO -0.11 0.03 -0.16 0.40 -1.29 0.00 0.00 177.43 176.30 1k2r h ILE 635 N 0.00 1.29 -0.56 2.81 1.08 -0.28 -2.94 117.51 118.91 1k2r h ILE 635 Ca -0.00 -1.28 -0.09 0.00 -0.39 0.00 0.00 64.86 63.10 1k2r h ILE 635 Cb 0.58 1.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.67 1k2r h ILE 635 CO 0.00 0.42 -0.02 0.00 -0.69 0.00 0.00 178.15 177.86 1k2r h ALA 636 N 0.79 0.75 0.72 1.87 0.00 -0.89 0.55 119.26 123.05 1k2r h ALA 636 Ca 0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1k2r h ALA 636 Cb 0.70 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1k2r h ALA 636 CO 0.05 0.60 -0.35 0.28 0.00 0.00 0.00 179.25 179.83 1k2r h VAL 637 N 0.88 0.23 -0.09 0.00 2.07 -1.47 0.10 116.25 117.98 1k2r h VAL 637 Ca 0.16 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1k2r h VAL 637 Cb 0.57 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1k2r h VAL 637 CO 0.03 0.01 -0.23 -0.07 0.02 0.00 0.00 177.57 177.34 1k2r h LEU 638 N -1.07 -0.69 -0.53 2.57 3.38 -1.53 -1.74 115.31 115.72 1k2r h LEU 638 Ca -0.10 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1k2r h LEU 638 Cb 0.76 0.30 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 1k2r h LEU 638 CO 0.16 -0.28 -0.15 0.22 0.09 0.00 0.00 178.44 178.48 1k2r h TYR 639 N -0.31 -0.33 0.45 1.13 3.20 -0.75 -1.20 116.97 119.16 1k2r h TYR 639 Ca 0.09 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1k2r h TYR 639 Cb 0.44 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 1k2r h TYR 639 CO -0.31 -0.25 -0.28 0.77 -1.64 0.00 0.00 178.16 176.46 1k2r h SER 640 N -0.02 -0.71 -0.82 -2.11 0.02 -0.28 0.13 113.55 109.76 1k2r h SER 640 Ca 0.25 0.04 0.19 0.00 -0.84 0.00 0.00 61.79 61.43 1k2r h SER 640 Cb 0.41 0.21 -0.15 0.00 0.14 0.00 0.00 62.40 63.01 1k2r h SER 640 CO -0.55 -0.43 -0.06 -0.26 -1.14 0.00 0.00 176.83 174.39 1k2r h PHE 641 N -0.69 -0.17 -0.67 3.45 -1.00 -1.09 0.33 116.94 117.10 1k2r h PHE 641 Ca -0.06 0.06 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 1k2r h PHE 641 Cb 0.55 0.21 -0.03 0.00 3.61 0.00 0.00 35.95 40.29 1k2r h PHE 641 CO -0.01 -0.31 0.24 1.96 -1.61 0.00 0.00 178.31 178.58 1k2r h GLN 642 N 0.05 1.01 -0.67 1.51 4.20 -1.11 0.29 115.11 120.40 1k2r h GLN 642 Ca 0.44 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.88 1k2r h GLN 642 Cb 0.78 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1k2r h GLN 642 CO -0.77 0.85 0.11 0.77 -0.67 0.00 0.00 178.83 179.11 1k2r h SER 643 N 0.98 1.07 -0.17 1.46 0.02 0.17 -1.93 113.55 115.15 1k2r h SER 643 Ca 0.22 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1k2r h SER 643 Cb 0.24 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1k2r h SER 643 CO -0.01 1.06 0.00 0.47 -1.14 0.00 0.00 176.83 177.21 1k2r n ASP 644 N -4.21 1.31 -3.32 3.07 8.00 -0.27 -4.92 116.55 116.20 1k2r n ASP 644 Ca 0.04 -1.77 -0.23 0.00 0.71 0.00 0.00 54.79 53.54 1k2r n ASP 644 Cb 0.30 -0.11 0.06 0.00 -0.02 0.00 0.00 41.12 41.34 1k2r n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1k2r n LYS 645 N 0.13 -6.33 -3.73 -1.24 5.02 -0.45 -4.99 118.16 106.56 1k2r n LYS 645 Ca 0.13 0.86 -0.35 0.00 -2.02 0.00 0.00 58.31 56.93 1k2r n LYS 645 Cb 0.25 -5.81 -0.08 0.00 -0.02 0.00 0.00 35.03 29.36 1k2r n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k2r s VAL 646 N -3.25 5.37 0.30 -0.18 1.01 0.90 -4.37 120.40 120.18 1k2r s VAL 646 Ca 0.45 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 1k2r s VAL 646 Cb -0.20 -3.46 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 1k2r s VAL 646 CO 0.56 0.43 1.37 0.41 0.00 0.00 0.00 175.10 177.86 1k2r n THR 647 N 3.64 1.49 -3.56 3.92 -1.04 0.29 -4.21 114.28 114.81 1k2r n THR 647 Ca -0.16 -0.37 -0.13 0.00 -2.04 0.00 0.00 64.05 61.35 1k2r n THR 647 Cb 0.52 -1.57 -0.05 0.00 -1.82 0.00 0.00 70.33 67.40 1k2r n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1k2r s ILE 648 N -0.58 0.00 0.01 12.58 2.07 -1.26 -4.49 121.20 129.53 1k2r s ILE 648 Ca 0.61 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.90 1k2r s ILE 648 Cb -0.59 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 40.98 1k2r s ILE 648 CO 0.56 0.00 -0.16 0.54 -1.91 0.00 0.00 174.94 173.97 1k2r s VAL 649 N -1.11 1.25 0.40 4.00 0.11 0.42 -4.97 120.40 120.50 1k2r s VAL 649 Ca -0.05 -0.80 -0.04 0.00 -2.93 0.00 0.00 61.98 58.15 1k2r s VAL 649 Cb -0.00 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 1k2r s VAL 649 CO 0.05 0.25 0.68 1.51 -3.33 0.00 0.00 175.10 174.25 1k2r s ASP 650 N -0.64 6.34 0.50 3.54 -4.77 -1.26 0.12 116.67 120.50 1k2r s ASP 650 Ca 0.05 0.80 0.20 0.00 -3.30 0.00 0.00 52.55 50.30 1k2r s ASP 650 Cb -0.07 -2.18 1.26 0.00 -1.09 0.00 0.00 42.92 40.84 1k2r s ASP 650 CO 0.00 -0.41 2.01 1.12 0.70 0.00 0.00 175.17 178.59 1k2r h HIS 651 N 0.80 0.14 0.15 2.11 2.07 -1.97 -0.91 115.15 117.53 1k2r h HIS 651 Ca -0.48 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.04 1k2r h HIS 651 Cb 1.20 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.14 1k2r h HIS 651 CO 0.57 0.06 -0.07 0.45 -3.07 0.00 0.00 177.93 175.87 1k2r h HIS 652 N 0.13 -0.18 -0.44 6.12 3.86 -1.96 -2.15 115.15 120.54 1k2r h HIS 652 Ca 0.23 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.37 1k2r h HIS 652 Cb 0.75 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 1k2r h HIS 652 CO -0.00 0.14 0.02 0.77 0.86 0.00 0.00 177.93 179.72 1k2r h SER 653 N -0.51 0.74 0.18 2.45 0.02 -1.86 -2.17 113.55 112.40 1k2r h SER 653 Ca -0.02 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1k2r h SER 653 Cb 0.40 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1k2r h SER 653 CO 0.03 0.85 -0.19 0.00 -1.14 0.00 0.00 176.83 176.39 1k2r h ALA 654 N 0.92 -0.37 -0.75 3.77 0.00 -1.23 -0.66 119.26 120.93 1k2r h ALA 654 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1k2r h ALA 654 Cb 0.46 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1k2r h ALA 654 CO 0.02 -0.74 0.30 1.79 0.00 0.00 0.00 179.25 180.62 1k2r h THR 655 N -0.40 1.25 -0.51 0.00 1.35 -1.39 -0.46 112.91 112.75 1k2r h THR 655 Ca 0.00 -0.80 -0.02 0.00 -0.55 0.00 0.00 66.41 65.04 1k2r h THR 655 Cb 0.38 0.37 -0.02 0.00 -1.73 0.00 0.00 68.15 67.15 1k2r h THR 655 CO -0.05 0.33 0.24 -0.08 -0.25 0.00 0.00 175.52 175.70 1k2r h GLU 656 N 1.09 0.75 -0.65 4.72 4.81 -1.25 -1.66 114.58 122.39 1k2r h GLU 656 Ca 0.25 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1k2r h GLU 656 Cb 0.21 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1k2r h GLU 656 CO -0.02 0.63 0.40 0.77 -0.73 0.00 0.00 179.01 180.06 1k2r h SER 657 N 0.69 0.66 -0.95 1.04 0.02 -0.67 -2.13 113.55 112.21 1k2r h SER 657 Ca 0.18 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1k2r h SER 657 Cb 0.13 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.48 1k2r h SER 657 CO -0.02 0.46 0.59 0.15 -1.14 0.00 0.00 176.83 176.87 1k2r h PHE 658 N 0.79 1.23 -0.39 3.45 3.57 -0.66 -0.35 116.94 124.59 1k2r h PHE 658 Ca 0.26 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.81 1k2r h PHE 658 Cb 0.01 -0.41 -0.04 0.00 2.79 0.00 0.00 35.95 38.30 1k2r h PHE 658 CO -0.05 0.81 0.15 0.82 -2.23 0.00 0.00 178.31 177.81 1k2r h ILE 659 N 1.30 0.91 -0.21 1.41 1.08 -0.67 0.43 117.51 121.75 1k2r h ILE 659 Ca 0.34 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.70 1k2r h ILE 659 Cb -0.08 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 1k2r h ILE 659 CO -0.07 0.06 0.13 0.50 -0.69 0.00 0.00 178.15 178.08 1k2r h LYS 660 N 0.32 0.28 -0.40 2.37 3.64 -0.94 -0.88 116.57 120.95 1k2r h LYS 660 Ca 0.17 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 1k2r h LYS 660 Cb 0.14 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1k2r h LYS 660 CO -0.16 0.22 0.15 1.25 -2.27 0.00 0.00 179.45 178.64 1k2r h HIS 661 N 0.25 0.27 -0.84 1.91 2.76 -0.55 -0.70 115.15 118.26 1k2r h HIS 661 Ca 0.07 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.34 1k2r h HIS 661 Cb 0.01 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 28.85 1k2r h HIS 661 CO -0.05 0.11 0.50 1.98 -1.30 0.00 0.00 177.93 179.17 1k2r h MET 662 N 0.32 0.86 -0.47 5.26 4.05 0.33 0.36 114.93 125.63 1k2r h MET 662 Ca 0.18 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.46 1k2r h MET 662 Cb 0.16 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1k2r h MET 662 CO -0.18 0.57 -0.09 0.93 0.23 0.00 0.00 176.91 178.37 1k2r h GLU 663 N 0.88 0.83 -0.16 0.39 5.08 -0.26 -0.20 114.58 121.14 1k2r h GLU 663 Ca 0.38 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1k2r h GLU 663 Cb 0.26 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1k2r h GLU 663 CO -0.21 0.89 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.73 1k2r h ASN 664 N 0.75 0.33 -0.40 1.42 2.35 -0.08 -2.82 115.58 117.12 1k2r h ASN 664 Ca 0.13 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1k2r h ASN 664 Cb 0.58 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1k2r h ASN 664 CO 0.04 0.63 0.27 -0.33 -1.65 0.00 0.00 177.43 176.38 1k2r h GLU 665 N 0.02 0.54 -0.41 0.81 4.39 -0.13 -0.78 114.58 119.01 1k2r h GLU 665 Ca 0.04 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1k2r h GLU 665 Cb 0.50 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1k2r h GLU 665 CO 0.02 0.36 -0.12 1.88 -1.16 0.00 0.00 179.01 179.99 1k2r h TYR 666 N 0.55 0.91 0.00 4.33 -1.99 -0.89 0.21 116.97 120.09 1k2r h TYR 666 Ca 0.15 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1k2r h TYR 666 Cb -0.06 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.45 1k2r h TYR 666 CO 0.00 0.93 -0.32 2.89 -0.00 0.00 0.00 178.16 181.67 1k2r n ARG 667 N -4.30 0.17 -0.02 4.88 1.85 -0.96 -0.98 116.66 117.29 1k2r n ARG 667 Ca -0.01 0.09 0.03 0.00 -1.00 0.00 0.00 57.85 56.96 1k2r n ARG 667 Cb 0.38 -1.65 -0.10 0.00 -1.05 0.00 0.00 32.46 30.04 1k2r n ARG 667 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1k2r n ARG 669 N -2.08 5.10 -1.51 0.00 0.63 0.01 -5.00 116.66 113.81 1k2r n ARG 669 Ca -0.07 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.81 1k2r n ARG 669 Cb 0.48 -0.37 -0.02 0.00 0.45 0.00 0.00 32.46 33.01 1k2r n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k2r n GLY 670 N 0.73 0.56 0.00 5.14 0.00 -0.16 -4.51 105.19 106.96 1k2r n GLY 670 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1k2r n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2r n GLY 671 N -1.83 1.37 3.15 -0.02 0.00 -1.00 -1.42 105.19 105.43 1k2r n GLY 671 Ca -0.06 -1.10 0.04 0.00 0.00 0.00 0.00 46.02 44.91 1k2r n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2r s PRO 673 N 2.85 4.11 -0.19 0.00 0.04 -1.26 -4.66 135.00 135.90 1k2r s PRO 673 Ca 0.14 2.59 -0.11 0.00 0.04 0.00 0.00 61.00 63.65 1k2r s PRO 673 Cb -0.11 -3.02 0.06 0.00 0.04 0.00 0.00 34.50 31.47 1k2r s PRO 673 CO -0.24 -0.64 0.46 0.00 0.04 0.00 0.00 177.00 176.62 1k2r s ALA 674 N -0.06 -1.18 -0.57 8.56 0.00 -0.26 -4.31 121.76 123.95 1k2r s ALA 674 Ca 0.63 1.61 -0.16 0.00 0.00 0.00 0.00 51.96 54.04 1k2r s ALA 674 Cb -0.48 -0.97 0.13 0.00 0.00 0.00 0.00 23.12 21.80 1k2r s ALA 674 CO 0.49 -0.27 0.55 0.34 0.00 0.00 0.00 175.76 176.87 1k2r s ASP 675 N 1.23 6.22 0.23 0.00 -1.08 0.21 -3.61 116.67 119.86 1k2r s ASP 675 Ca -0.08 -1.78 -0.07 0.00 -0.52 0.00 0.00 52.55 50.10 1k2r s ASP 675 Cb -0.07 -2.23 0.38 0.00 -1.46 0.00 0.00 42.92 39.55 1k2r s ASP 675 CO -0.11 -0.89 1.72 -0.25 0.52 0.00 0.00 175.17 176.16 1k2r h TRP 676 N 8.88 0.38 -0.80 -5.34 7.01 -1.92 0.11 115.95 124.28 1k2r h TRP 676 Ca -0.28 0.04 0.14 0.00 2.11 0.00 0.00 58.89 60.90 1k2r h TRP 676 Cb 1.09 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 28.04 1k2r h TRP 676 CO 0.77 0.02 0.52 0.28 -2.79 0.00 0.00 178.44 177.24 1k2r h VAL 677 N 0.36 0.83 0.02 2.65 2.07 -1.92 -2.40 116.25 117.87 1k2r h VAL 677 Ca 0.37 -0.19 -0.32 0.00 0.82 0.00 0.00 66.70 67.38 1k2r h VAL 677 Cb 0.55 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1k2r h VAL 677 CO -0.40 0.10 -1.89 0.79 0.02 0.00 0.00 177.57 176.19 1k2r n TRP 678 N -4.51 0.86 -0.11 1.57 7.02 -0.53 -4.49 117.44 117.26 1k2r n TRP 678 Ca 0.15 0.28 -0.12 0.00 -1.02 0.00 0.00 57.50 56.79 1k2r n TRP 678 Cb 0.47 -1.15 -0.03 0.00 -2.42 0.00 0.00 31.31 28.18 1k2r n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1k2r h ILE 679 N 0.01 1.29 -2.61 -0.99 1.08 -0.40 -3.42 117.51 112.46 1k2r h ILE 679 Ca -0.36 -1.22 -0.55 0.00 -0.39 0.00 0.00 64.86 62.34 1k2r h ILE 679 Cb 2.05 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 37.17 1k2r h ILE 679 CO 0.07 0.40 1.12 -0.69 -0.69 0.00 0.00 178.15 178.35 1k2r s VAL 680 N -4.68 3.57 0.68 1.67 1.01 -0.94 -4.93 120.40 116.78 1k2r s VAL 680 Ca -0.13 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 62.36 1k2r s VAL 680 Cb 0.09 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1k2r s VAL 680 CO 0.80 -0.11 0.72 -2.65 0.00 0.00 0.00 175.10 173.87 1k2r n PRO 681 N 7.32 0.49 0.00 2.72 -0.02 -1.26 -4.87 135.00 139.38 1k2r n PRO 681 Ca 0.18 0.21 0.04 0.00 -2.02 0.00 0.00 63.50 61.91 1k2r n PRO 681 Cb 0.43 -1.97 0.25 0.00 -0.02 0.00 0.00 33.50 32.18 1k2r n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1k2r n PRO 682 N -0.98 0.70 -3.84 0.52 -0.04 -1.26 -4.32 135.00 125.77 1k2r n PRO 682 Ca 0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 1k2r n PRO 682 Cb 0.49 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.67 1k2r n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2r s MET 683 N -2.00 0.52 -1.09 0.54 0.23 -1.26 -4.89 119.30 111.34 1k2r s MET 683 Ca 0.12 -0.32 -0.03 0.00 -1.03 0.00 0.00 55.69 54.43 1k2r s MET 683 Cb 0.06 0.22 0.02 0.00 -1.53 0.00 0.00 34.83 33.60 1k2r s MET 683 CO 0.10 -0.13 0.19 0.43 -2.03 0.00 0.00 175.02 173.58 1k2r n SER 684 N 1.48 -3.77 -0.26 -1.18 7.64 -1.26 -4.87 113.62 111.39 1k2r n SER 684 Ca -0.22 -0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.59 1k2r n SER 684 Cb 0.56 -3.17 -0.06 0.00 -1.01 0.00 0.00 64.21 60.52 1k2r n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k2r n GLY 685 N -0.94 -2.28 0.00 0.23 0.00 -1.26 -1.16 105.19 99.78 1k2r n GLY 685 Ca -0.09 0.87 0.08 0.00 0.00 0.00 0.00 46.02 46.87 1k2r n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2r n SER 686 N -4.50 0.00 -1.11 1.61 3.41 -1.26 -2.23 113.62 109.53 1k2r n SER 686 Ca 0.01 0.20 0.10 0.00 -0.26 0.00 0.00 58.87 58.92 1k2r n SER 686 Cb 0.16 -0.35 0.27 0.00 -0.26 0.00 0.00 64.21 64.03 1k2r n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1k2r n ILE 687 N -1.35 0.74 -4.28 -1.33 -5.35 -0.31 -4.83 119.36 102.66 1k2r n ILE 687 Ca 0.06 -0.79 -0.31 0.00 -0.27 0.00 0.00 62.75 61.44 1k2r n ILE 687 Cb 0.14 0.50 -0.09 0.00 -1.74 0.00 0.00 39.64 38.46 1k2r n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1k2r s THR 688 N -1.26 3.91 0.22 7.28 -4.23 -0.95 -5.04 115.64 115.59 1k2r s THR 688 Ca 0.41 -0.82 -0.08 0.00 -1.18 0.00 0.00 61.69 60.02 1k2r s THR 688 Cb 0.22 -2.78 0.18 0.00 1.34 0.00 0.00 72.50 71.45 1k2r s THR 688 CO 0.29 0.28 1.83 -0.65 -0.54 0.00 0.00 174.62 175.83 1k2r h PRO 689 N 4.04 0.82 -0.13 3.99 0.11 -1.88 -2.88 132.00 136.07 1k2r h PRO 689 Ca -0.48 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.62 1k2r h PRO 689 Cb 1.17 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1k2r h PRO 689 CO 0.57 0.54 0.20 -0.39 -0.21 0.00 0.00 178.00 178.71 1k2r h VAL 690 N 0.84 0.32 -0.75 3.15 -1.51 -1.90 -1.77 116.25 114.63 1k2r h VAL 690 Ca 0.33 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.79 1k2r h VAL 690 Cb 0.15 0.83 -0.04 0.00 -2.13 0.00 0.00 31.29 30.11 1k2r h VAL 690 CO -0.17 0.00 0.41 0.15 -1.23 0.00 0.00 177.57 176.73 1k2r h PHE 691 N 0.00 1.03 -0.32 5.19 3.57 -1.70 -2.36 116.94 122.35 1k2r h PHE 691 Ca 0.06 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1k2r h PHE 691 Cb 0.46 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1k2r h PHE 691 CO 0.00 0.72 0.00 0.72 -2.23 0.00 0.00 178.31 177.52 1k2r n HIS 692 N -4.35 0.42 -3.65 0.41 8.25 -0.67 -4.85 115.22 110.77 1k2r n HIS 692 Ca 0.08 -0.21 -0.38 0.00 -0.26 0.00 0.00 57.72 56.94 1k2r n HIS 692 Cb 0.10 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.10 1k2r n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k2r s GLN 693 N -1.58 3.36 0.42 -0.41 2.00 -0.89 -0.48 119.66 122.08 1k2r s GLN 693 Ca 0.31 -0.70 -0.25 0.00 -2.00 0.00 0.00 55.36 52.72 1k2r s GLN 693 Cb 0.17 -3.56 -0.08 0.00 0.80 0.00 0.00 33.01 30.33 1k2r s GLN 693 CO 0.23 -0.40 1.26 -1.21 -0.50 0.00 0.00 175.29 174.67 1k2r s GLU 694 N 1.62 3.89 0.09 1.67 2.02 -1.00 -4.98 118.70 122.02 1k2r s GLU 694 Ca 0.05 2.04 0.04 0.00 0.02 0.00 0.00 54.97 57.12 1k2r s GLU 694 Cb -0.17 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 1k2r s GLU 694 CO 0.06 -0.52 -0.10 -1.64 0.02 0.00 0.00 175.26 173.09 1k2r s MET 695 N -2.36 0.81 -0.13 1.61 -1.94 -1.26 -4.70 119.30 111.33 1k2r s MET 695 Ca 0.59 -1.11 0.01 0.00 -1.71 0.00 0.00 55.69 53.46 1k2r s MET 695 Cb -0.35 -0.51 -0.01 0.00 2.01 0.00 0.00 34.83 35.96 1k2r s MET 695 CO 0.45 0.08 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.87 1k2r s LEU 696 N -2.34 2.52 -0.09 -0.03 1.43 -1.26 -4.93 118.68 113.98 1k2r s LEU 696 Ca 0.04 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1k2r s LEU 696 Cb -0.04 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1k2r s LEU 696 CO -0.00 0.14 -0.07 0.21 0.23 0.00 0.00 176.35 176.86 1k2r s ASN 697 N 0.47 4.61 0.04 2.29 3.04 -1.24 -1.10 114.94 123.04 1k2r s ASN 697 Ca -0.11 -0.07 -0.28 0.00 0.04 0.00 0.00 52.86 52.44 1k2r s ASN 697 Cb -0.16 -1.32 0.09 0.00 -1.54 0.00 0.00 41.25 38.32 1k2r s ASN 697 CO 0.05 0.31 0.86 -0.72 -3.04 0.00 0.00 177.10 174.56 1k2r s TYR 698 N -0.48 -0.34 -0.16 0.43 -0.85 -1.26 -4.96 117.35 109.74 1k2r s TYR 698 Ca 0.07 0.17 -0.08 0.00 -0.52 0.00 0.00 57.07 56.71 1k2r s TYR 698 Cb -0.12 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 1k2r s TYR 698 CO 0.02 -0.62 0.11 1.03 -1.52 0.00 0.00 175.55 174.57 1k2r s ARG 699 N -3.22 3.78 0.04 -3.49 0.52 -1.26 -4.83 118.95 110.50 1k2r s ARG 699 Ca 0.06 -0.23 0.04 0.00 -0.52 0.00 0.00 55.73 55.08 1k2r s ARG 699 Cb -0.01 -3.24 -0.02 0.00 0.52 0.00 0.00 34.95 32.20 1k2r s ARG 699 CO -0.08 0.50 -0.12 -0.51 0.02 0.00 0.00 175.30 175.11 1k2r s LEU 700 N -0.23 2.19 0.19 2.53 1.43 -1.26 -2.57 118.68 120.95 1k2r s LEU 700 Ca 0.10 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1k2r s LEU 700 Cb -0.12 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1k2r s LEU 700 CO 0.01 -0.02 -0.02 0.42 0.23 0.00 0.00 176.35 176.97 1k2r s THR 701 N -0.96 3.59 0.78 5.49 -4.23 -1.26 -4.16 115.64 114.89 1k2r s THR 701 Ca -0.01 -1.54 -0.14 0.00 -1.18 0.00 0.00 61.69 58.82 1k2r s THR 701 Cb -0.08 -2.82 0.06 0.00 1.34 0.00 0.00 72.50 71.00 1k2r s THR 701 CO 0.01 -0.15 1.15 -2.65 -0.54 0.00 0.00 174.62 172.44 1k2r n PRO 702 N -0.22 0.33 -3.91 3.99 -0.02 -1.26 -5.01 135.00 128.89 1k2r n PRO 702 Ca -0.09 0.18 -0.09 0.00 -2.02 0.00 0.00 63.50 61.47 1k2r n PRO 702 Cb 0.56 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 1k2r n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1k2r s SER 703 N -1.95 -0.02 -0.17 2.55 1.04 -0.85 -3.92 113.70 110.38 1k2r s SER 703 Ca 0.74 -0.78 -0.05 0.00 0.48 0.00 0.00 55.95 56.34 1k2r s SER 703 Cb -0.31 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 1k2r s SER 703 CO 0.50 -0.92 0.00 -0.36 0.98 0.00 0.00 173.24 173.44 1k2r s PHE 704 N -3.94 3.11 0.24 5.02 0.40 -1.26 -0.76 117.98 120.79 1k2r s PHE 704 Ca 0.15 -0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.38 1k2r s PHE 704 Cb 0.02 -2.00 -0.05 0.00 0.51 0.00 0.00 43.02 41.50 1k2r s PHE 704 CO -0.01 0.04 -0.05 -1.21 0.70 0.00 0.00 175.22 174.69 1k2r s GLU 705 N 0.35 1.39 0.72 0.44 0.41 0.30 -4.94 118.70 117.37 1k2r s GLU 705 Ca -0.01 -1.68 -0.11 0.00 -0.41 0.00 0.00 54.97 52.76 1k2r s GLU 705 Cb -0.13 -0.89 0.04 0.00 -1.78 0.00 0.00 34.13 31.36 1k2r s GLU 705 CO 0.02 0.01 1.09 0.71 -0.49 0.00 0.00 175.26 176.60 1k2r s TYR 706 N -3.19 3.17 -0.09 1.61 4.12 -1.26 -0.51 117.35 121.19 1k2r s TYR 706 Ca 0.27 0.86 -0.26 0.00 0.02 0.00 0.00 57.07 57.96 1k2r s TYR 706 Cb 0.04 -3.18 0.06 0.00 -1.52 0.00 0.00 41.96 37.36 1k2r s TYR 706 CO 0.09 -1.34 0.60 1.14 0.02 0.00 0.00 175.55 176.06 1k2r s GLN 707 N -5.38 0.91 0.38 -0.62 -2.07 -1.26 -4.65 119.66 106.97 1k2r s GLN 707 Ca 0.59 0.34 -0.24 0.00 -1.82 0.00 0.00 55.36 54.23 1k2r s GLN 707 Cb -0.11 0.43 -0.12 0.00 -1.09 0.00 0.00 33.01 32.11 1k2r s GLN 707 CO 0.50 -0.24 0.78 -2.30 -1.32 0.00 0.00 175.29 172.71 1k2r n PRO 708 N 1.45 0.93 -1.73 9.60 -0.02 -1.26 -4.86 135.00 139.11 1k2r n PRO 708 Ca -0.18 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 1k2r n PRO 708 Cb 0.56 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 1k2r n PRO 708 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1k2r n ASP 709 N 1.05 3.66 -0.30 2.55 8.00 -1.26 -4.88 116.55 125.37 1k2r n ASP 709 Ca 0.11 1.15 0.04 0.00 0.71 0.00 0.00 54.79 56.80 1k2r n ASP 709 Cb 0.37 -1.57 0.18 0.00 -0.02 0.00 0.00 41.12 40.09 1k2r n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1k2r h PRO 710 N 4.59 0.76 0.00 -0.24 0.13 -1.91 -1.57 132.00 133.77 1k2r h PRO 710 Ca -0.47 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1k2r h PRO 710 Cb 1.23 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1k2r h PRO 710 CO 0.78 0.51 -0.13 0.11 -0.23 0.00 0.00 178.00 179.03 1k2r h TRP 711 N 0.79 0.00 0.00 1.56 0.09 -1.95 -0.87 115.95 115.57 1k2r h TRP 711 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.40 1k2r h TRP 711 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.66 1k2r h TRP 711 CO -0.06 0.13 0.00 0.09 0.09 0.00 0.00 178.44 178.69 1k2r n ASN 712 N -3.49 0.00 0.00 0.11 5.03 -0.59 -4.09 115.26 112.24 1k2r n ASN 712 Ca -0.01 -0.60 0.00 0.00 0.87 0.00 0.00 54.58 54.84 1k2r n ASN 712 Cb 0.29 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 1k2r n ASN 712 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1k2r n THR 713 N -1.13 0.00 -3.02 3.41 -2.24 -0.90 -5.01 114.28 105.39 1k2r n THR 713 Ca 0.19 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.60 1k2r n THR 713 Cb 0.16 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 1k2r n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1k2r s HIS 714 N 0.00 3.69 -0.66 4.78 5.04 -0.38 -5.02 115.29 122.73 1k2r s HIS 714 Ca 0.00 1.50 -0.14 0.00 -1.54 0.00 0.00 55.06 54.88 1k2r s HIS 714 Cb 0.00 -2.70 0.17 0.00 0.04 0.00 0.00 32.58 30.09 1k2r s HIS 714 CO 0.00 0.34 0.60 0.14 -2.34 0.00 0.00 174.74 173.47 1k2r s VAL 715 N -1.49 5.22 -2.00 0.89 -7.23 -1.26 -5.01 120.40 109.52 1k2r s VAL 715 Ca 0.43 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1k2r s VAL 715 Cb -0.18 -4.30 0.01 0.00 0.56 0.00 0.00 36.38 32.47 1k2r s VAL 715 CO 0.22 -0.93 0.51 0.79 -0.31 0.00 0.00 175.10 175.39