#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 -0.43 -0.10 -0.14 0.40 -1.26 -4.81 117.98 111.64 1k2r s PHE 300 Ca 0.00 1.03 0.02 0.00 -0.60 0.00 0.00 56.93 57.38 1k2r s PHE 300 Cb 0.00 0.15 0.01 0.00 0.51 0.00 0.00 43.02 43.69 1k2r s PHE 300 CO 0.00 -0.21 -0.16 -0.51 0.70 0.00 0.00 175.22 175.04 1k2r s LEU 301 N 0.29 1.75 0.13 -0.37 1.43 -0.94 -4.95 118.68 116.03 1k2r s LEU 301 Ca -0.01 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1k2r s LEU 301 Cb -0.03 -1.07 -0.06 0.00 0.03 0.00 0.00 46.19 45.06 1k2r s LEU 301 CO -0.00 0.04 0.47 -0.54 0.23 0.00 0.00 176.35 176.54 1k2r s LYS 302 N 0.83 3.83 -0.04 1.70 -0.14 -1.26 0.32 119.74 124.98 1k2r s LYS 302 Ca -0.10 0.27 0.03 0.00 -1.36 0.00 0.00 55.97 54.81 1k2r s LYS 302 Cb -0.15 -2.91 0.01 0.00 -1.68 0.00 0.00 37.83 33.09 1k2r s LYS 302 CO 0.01 0.49 -0.11 0.08 -0.76 0.00 0.00 175.35 175.05 1k2r s VAL 303 N -1.51 1.01 0.04 3.17 1.01 0.58 -4.95 120.40 119.76 1k2r s VAL 303 Ca 0.37 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.99 1k2r s VAL 303 Cb -0.14 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1k2r s VAL 303 CO 0.19 0.31 -0.25 -0.75 0.00 0.00 0.00 175.10 174.60 1k2r s LYS 304 N 0.36 1.72 -0.33 2.72 2.20 -1.26 0.30 119.74 125.46 1k2r s LYS 304 Ca -0.07 -1.08 -0.09 0.00 -0.36 0.00 0.00 55.97 54.37 1k2r s LYS 304 Cb -0.12 -1.89 0.01 0.00 -1.51 0.00 0.00 37.83 34.33 1k2r s LYS 304 CO 0.02 0.49 0.14 1.21 -0.36 0.00 0.00 175.35 176.85 1k2r s ASN 305 N -1.23 5.45 0.00 1.43 3.84 0.01 -2.23 114.94 122.21 1k2r s ASN 305 Ca 0.11 -0.80 0.11 0.00 0.21 0.00 0.00 52.86 52.49 1k2r s ASN 305 Cb -0.10 -1.96 0.64 0.00 -0.55 0.00 0.00 41.25 39.29 1k2r s ASN 305 CO 0.02 -0.27 1.23 0.79 -2.79 0.00 0.00 177.10 176.08 1k2r n TRP 306 N 4.93 0.00 0.07 0.43 7.02 -0.35 0.88 117.44 130.43 1k2r n TRP 306 Ca -0.13 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.42 1k2r n TRP 306 Cb 0.47 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.25 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 -0.72 0.66 0.00 -0.99 2.13 -1.26 -4.60 120.64 115.85 1k2r n GLU 307 Ca 0.08 -0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1k2r n GLU 307 Cb 0.04 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.41 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 -1.94 0.00 -0.89 6.31 -2.24 -1.08 -5.00 114.28 109.45 1k2r n THR 308 Ca -0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1k2r n THR 308 Cb 0.37 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.79 -2.08 -4.71 3.42 8.00 0.25 -4.96 116.55 115.68 1k2r n ASP 309 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1k2r n ASP 309 Cb 0.00 -1.39 -0.03 0.00 -0.02 0.00 0.00 41.12 39.68 1k2r n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k2r s VAL 310 N -2.18 2.95 -0.09 2.53 1.01 -1.22 -4.73 120.40 118.68 1k2r s VAL 310 Ca 0.00 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.66 1k2r s VAL 310 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 1k2r s VAL 310 CO 0.00 0.04 -0.19 -0.69 0.00 0.00 0.00 175.10 174.27 1k2r s VAL 311 N 1.29 2.57 0.12 2.92 1.01 -1.26 -0.81 120.40 126.24 1k2r s VAL 311 Ca 0.68 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.90 1k2r s VAL 311 Cb -0.40 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1k2r s VAL 311 CO 0.31 0.55 -0.20 -0.76 0.00 0.00 0.00 175.10 175.00 1k2r s LEU 312 N 0.05 2.62 -0.15 3.92 1.43 0.15 -4.92 118.68 121.78 1k2r s LEU 312 Ca -0.08 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1k2r s LEU 312 Cb -0.15 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1k2r s LEU 312 CO 0.05 0.18 -0.02 -0.89 0.23 0.00 0.00 176.35 175.89 1k2r s THR 313 N -1.14 4.02 -0.14 5.49 2.01 -1.26 -0.31 115.64 124.31 1k2r s THR 313 Ca 0.17 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1k2r s THR 313 Cb -0.10 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1k2r s THR 313 CO 0.09 0.50 -0.01 -0.62 -0.69 0.00 0.00 174.62 173.90 1k2r s ASP 314 N 0.24 5.09 0.00 3.53 -1.08 0.15 -4.61 116.67 119.99 1k2r s ASP 314 Ca -0.02 -0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.00 1k2r s ASP 314 Cb -0.14 -1.73 0.00 0.00 -1.46 0.00 0.00 42.92 39.59 1k2r s ASP 314 CO 0.03 0.23 0.00 0.35 0.52 0.00 0.00 175.17 176.29 1k2r n THR 315 N 3.15 0.00 -0.14 1.71 -2.24 0.11 -2.21 114.28 114.66 1k2r n THR 315 Ca -0.17 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1k2r n THR 315 Cb 0.53 0.17 0.45 0.00 -2.10 0.00 0.00 70.33 69.38 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 0.48 -1.95 3.22 6.46 -1.43 -1.49 115.31 120.60 1k2r h LEU 316 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1k2r h LEU 316 Cb 0.07 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1k2r h LEU 316 CO 0.00 0.28 0.15 1.12 -0.62 0.00 0.00 178.44 179.37 1k2r h HIS 317 N 0.53 0.00 -0.22 1.25 2.07 -1.86 -0.55 115.15 116.37 1k2r h HIS 317 Ca 0.31 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.78 1k2r h HIS 317 Cb 0.52 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.49 1k2r h HIS 317 CO -0.00 0.00 -0.10 -0.07 -3.07 0.00 0.00 177.93 174.69 1k2r h LEU 318 N 0.00 0.33 -0.14 6.12 3.38 -1.63 -0.80 115.31 122.57 1k2r h LEU 318 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1k2r h LEU 318 Cb 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1k2r h LEU 318 CO 0.00 0.47 0.00 0.29 0.09 0.00 0.00 178.44 179.29 1k2r n LYS 319 N -4.26 1.09 -1.96 1.13 5.02 -0.21 -4.83 118.16 114.13 1k2r n LYS 319 Ca 0.00 -0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 55.74 1k2r n LYS 319 Cb 0.27 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 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 -1.67 6.61 -0.07 4.39 0.15 -0.31 -4.91 113.70 117.89 1k2r s SER 320 Ca 0.32 2.64 -0.05 0.00 0.70 0.00 0.00 55.95 59.56 1k2r s SER 320 Cb 0.15 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1k2r s SER 320 CO 0.25 -0.78 -0.13 0.35 1.20 0.00 0.00 173.24 174.14 1k2r n THR 321 N 3.25 0.78 -1.55 6.45 -2.24 -1.22 -5.04 114.28 114.70 1k2r n THR 321 Ca 0.11 -0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.58 1k2r n THR 321 Cb 0.39 -1.70 0.09 0.00 -2.10 0.00 0.00 70.33 67.01 1k2r n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1k2r s LEU 322 N -6.77 2.64 0.93 3.22 1.43 -1.26 -5.06 118.68 113.81 1k2r s LEU 322 Ca -0.13 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 1k2r s LEU 322 Cb 0.04 -3.97 0.15 0.00 0.03 0.00 0.00 46.19 42.44 1k2r s LEU 322 CO 0.17 -1.94 1.11 -1.61 0.23 0.00 0.00 176.35 174.31 1k2r s GLU 323 N -5.15 1.03 0.00 1.70 2.02 -1.26 -4.64 118.70 112.40 1k2r s GLU 323 Ca 0.61 0.47 0.00 0.00 0.02 0.00 0.00 54.97 56.07 1k2r s GLU 323 Cb -0.14 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.28 1k2r s GLU 323 CO 0.54 -2.31 0.00 0.25 0.02 0.00 0.00 175.26 173.76 1k2r n THR 324 N -3.88 0.00 0.00 3.63 -2.24 -1.26 -4.80 114.28 105.74 1k2r n THR 324 Ca 0.06 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1k2r n THR 324 Cb 0.58 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 1k2r n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k2r n GLY 325 N 1.97 2.00 3.82 3.38 0.00 -1.26 -4.94 105.19 110.16 1k2r n GLY 325 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1k2r n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2r n THR 327 N 1.75 0.00 0.60 0.00 -2.24 0.32 -4.99 114.28 109.72 1k2r n THR 327 Ca -0.11 -1.45 0.13 0.00 -2.27 0.00 0.00 64.05 60.34 1k2r n THR 327 Cb 0.51 -0.07 0.41 0.00 -2.10 0.00 0.00 70.33 69.08 1k2r n THR 327 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k2r n GLU 328 N -1.22 0.26 -0.03 -0.78 1.02 -1.26 -3.61 120.64 115.02 1k2r n GLU 328 Ca -0.04 0.24 0.03 0.00 -0.02 0.00 0.00 57.16 57.36 1k2r n GLU 328 Cb 0.41 -1.81 -0.11 0.00 -0.02 0.00 0.00 31.44 29.90 1k2r n GLU 328 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1k2r n HIS 329 N -2.26 0.00 -3.84 -0.32 8.25 -1.26 -5.00 115.22 110.79 1k2r n HIS 329 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 1k2r n HIS 329 Cb 0.41 -0.45 -0.15 0.00 1.12 0.00 0.00 29.99 30.92 1k2r n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1k2r s ILE 330 N -2.83 -0.01 -0.19 1.59 2.07 -1.24 -5.13 121.20 115.46 1k2r s ILE 330 Ca -0.06 0.09 -0.06 0.00 -1.41 0.00 0.00 60.65 59.20 1k2r s ILE 330 Cb 0.08 -0.05 -0.03 0.00 0.13 0.00 0.00 42.46 42.59 1k2r s ILE 330 CO 0.61 0.04 0.03 0.00 -1.91 0.00 0.00 174.94 173.71 1k2r n MET 332 N 3.78 3.07 0.09 0.00 0.00 -1.26 -4.81 117.12 117.99 1k2r n MET 332 Ca -0.17 -3.88 0.17 0.00 0.00 0.00 0.00 57.70 53.83 1k2r n MET 332 Cb 0.52 -2.14 0.69 0.00 0.00 0.00 0.00 33.22 32.29 1k2r n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1k2r h GLY 333 N 1.88 0.00 -1.89 3.03 0.00 -1.94 -1.37 103.07 102.78 1k2r h GLY 333 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1k2r h GLY 333 CO 0.69 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.09 1k2r n SER 334 N -4.34 2.78 -4.65 0.19 3.41 -1.26 -4.84 113.62 104.91 1k2r n SER 334 Ca 0.06 -1.99 -0.41 0.00 -0.26 0.00 0.00 58.87 56.27 1k2r n SER 334 Cb 0.45 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.33 4.91 0.17 -1.33 -1.09 -0.52 -4.97 121.20 117.04 1k2r s ILE 335 Ca 0.35 1.42 -0.18 0.00 -2.23 0.00 0.00 60.65 60.01 1k2r s ILE 335 Cb 0.18 -4.05 0.11 0.00 -1.58 0.00 0.00 42.46 37.13 1k2r s ILE 335 CO 0.24 -0.00 1.64 -0.03 -1.23 0.00 0.00 174.94 175.56 1k2r h MET 336 N 7.64 -0.08 -1.82 2.79 4.05 -1.90 -3.38 114.93 122.22 1k2r h MET 336 Ca -0.26 0.01 -0.36 0.00 -0.28 0.00 0.00 59.70 58.81 1k2r h MET 336 Cb 1.11 0.02 -0.29 0.00 -0.80 0.00 0.00 31.60 31.64 1k2r h MET 336 CO 0.83 -0.06 -0.70 -0.48 0.23 0.00 0.00 176.91 176.74 1k2r s LEU 337 N -10.65 -0.10 0.30 3.39 0.05 -1.26 -5.18 118.68 105.24 1k2r s LEU 337 Ca -0.14 -1.84 0.03 0.00 0.05 0.00 0.00 54.13 52.22 1k2r s LEU 337 Cb 0.15 0.68 0.61 0.00 -2.05 0.00 0.00 46.19 45.57 1k2r s LEU 337 CO 0.70 -0.20 1.87 -0.65 -0.55 0.00 0.00 176.35 177.52 1k2r h PRO 338 N 6.46 0.91 0.00 1.48 0.11 -1.92 -3.55 132.00 135.49 1k2r h PRO 338 Ca 0.09 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1k2r h PRO 338 Cb 1.04 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1k2r h PRO 338 CO 0.19 0.60 0.00 1.55 -0.21 0.00 0.00 178.00 180.14 1k2r n VAL 348 N -4.56 0.00 -2.95 3.15 3.14 -1.26 -5.08 118.33 110.77 1k2r n VAL 348 Ca 0.17 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.29 1k2r n VAL 348 Cb 0.33 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.11 1k2r n VAL 348 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1k2r s ARG 349 N 0.00 3.54 0.48 1.45 0.52 -1.26 -5.08 118.95 118.59 1k2r s ARG 349 Ca 0.00 0.01 -0.15 0.00 -0.52 0.00 0.00 55.73 55.07 1k2r s ARG 349 Cb 0.00 -2.49 -0.07 0.00 0.52 0.00 0.00 34.95 32.90 1k2r s ARG 349 CO 0.00 -0.05 0.92 0.99 0.02 0.00 0.00 175.30 177.18 1k2r s THR 350 N -2.54 4.61 -0.42 0.02 2.01 -1.26 -4.94 115.64 113.13 1k2r s THR 350 Ca 0.45 1.04 0.23 0.00 0.31 0.00 0.00 61.69 63.71 1k2r s THR 350 Cb -0.10 -3.72 0.24 0.00 0.01 0.00 0.00 72.50 68.92 1k2r s THR 350 CO 0.40 -0.63 1.69 2.29 -0.69 0.00 0.00 174.62 177.68 1k2r n LYS 351 N -1.48 0.18 -0.04 4.92 2.85 -1.26 -2.51 118.16 120.82 1k2r n LYS 351 Ca 0.05 0.48 -0.21 0.00 -1.05 0.00 0.00 58.31 57.58 1k2r n LYS 351 Cb 0.54 -1.89 -0.13 0.00 -0.65 0.00 0.00 35.03 32.90 1k2r n LYS 351 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1k2r h ASP 352 N 0.00 0.22 1.00 -5.58 2.03 -1.91 -3.36 116.42 108.82 1k2r h ASP 352 Ca 0.00 -0.75 -0.00 0.00 -0.73 0.00 0.00 57.03 55.55 1k2r h ASP 352 Cb 0.27 -0.07 -0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1k2r h ASP 352 CO 0.00 1.58 -0.00 1.56 -1.03 0.00 0.00 179.24 181.35 1k2r h GLN 353 N -0.54 0.00 -0.29 4.15 4.20 -1.94 -3.24 115.11 117.44 1k2r h GLN 353 Ca -0.33 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.34 1k2r h GLN 353 Cb 1.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.36 1k2r h GLN 353 CO -0.05 0.00 0.04 1.25 -0.67 0.00 0.00 178.83 179.41 1k2r h LEU 354 N 0.00 0.47 -0.34 1.46 5.85 -1.63 -3.29 115.31 117.83 1k2r h LEU 354 Ca -0.00 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.50 1k2r h LEU 354 Cb 0.50 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1k2r h LEU 354 CO 0.00 0.62 0.10 0.15 -0.34 0.00 0.00 178.44 178.97 1k2r h PHE 355 N 0.31 0.18 -0.95 1.25 3.57 -1.72 -0.46 116.94 119.11 1k2r h PHE 355 Ca 0.09 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1k2r h PHE 355 Cb 0.35 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 1k2r h PHE 355 CO 0.02 0.06 0.62 -1.00 -2.23 0.00 0.00 178.31 175.79 1k2r h PRO 356 N 0.23 1.11 -0.41 6.41 0.13 -1.77 0.34 132.00 138.04 1k2r h PRO 356 Ca 0.16 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1k2r h PRO 356 Cb 0.15 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 31.01 1k2r h PRO 356 CO -0.18 0.73 0.16 -0.07 -0.23 0.00 0.00 178.00 178.41 1k2r h LEU 357 N 1.14 0.57 -0.35 1.56 3.38 -1.49 0.51 115.31 120.63 1k2r h LEU 357 Ca 0.39 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1k2r h LEU 357 Cb 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1k2r h LEU 357 CO -0.14 0.59 0.21 0.00 0.09 0.00 0.00 178.44 179.18 1k2r h ALA 358 N 1.00 0.44 0.12 1.53 0.00 -0.12 -1.73 119.26 120.51 1k2r h ALA 358 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1k2r h ALA 358 Cb 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1k2r h ALA 358 CO -0.01 -0.05 -0.19 -0.22 0.00 0.00 0.00 179.25 178.78 1k2r h LYS 359 N 0.45 -0.36 -0.21 0.00 3.64 -0.03 0.16 116.57 120.23 1k2r h LYS 359 Ca 0.12 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1k2r h LYS 359 Cb 0.02 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 1k2r h LYS 359 CO -0.02 -0.24 -0.34 0.93 -2.27 0.00 0.00 179.45 177.51 1k2r h GLU 360 N -0.38 -0.36 -0.08 1.90 5.08 -0.75 0.47 114.58 120.48 1k2r h GLU 360 Ca 0.02 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1k2r h GLU 360 Cb 0.39 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1k2r h GLU 360 CO -0.09 -0.24 -0.17 0.35 -1.00 0.00 0.00 179.01 177.86 1k2r h PHE 361 N -0.37 -0.44 -0.75 4.33 3.57 -1.00 -1.87 116.94 120.41 1k2r h PHE 361 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1k2r h PHE 361 Cb 0.55 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 1k2r h PHE 361 CO -0.45 -0.24 0.35 -0.07 -2.23 0.00 0.00 178.31 175.66 1k2r h LEU 362 N -0.24 0.98 -1.21 0.59 3.38 0.01 0.41 115.31 119.23 1k2r h LEU 362 Ca 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1k2r h LEU 362 Cb 0.35 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1k2r h LEU 362 CO -0.22 0.84 0.41 0.44 0.09 0.00 0.00 178.44 180.00 1k2r h ASP 363 N 1.07 0.84 -0.09 -0.43 3.32 0.27 -0.54 116.42 120.86 1k2r h ASP 363 Ca 0.26 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1k2r h ASP 363 Cb 0.12 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1k2r h ASP 363 CO -0.03 0.66 -0.08 1.56 -1.72 0.00 0.00 179.24 179.62 1k2r h GLN 364 N 0.96 0.22 0.23 3.56 4.20 -0.55 -0.90 115.11 122.83 1k2r h GLN 364 Ca 0.25 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1k2r h GLN 364 Cb -0.02 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1k2r h GLN 364 CO -0.04 0.63 -0.47 -0.92 -0.67 0.00 0.00 178.83 177.35 1k2r h TYR 365 N -0.19 -1.32 -0.42 2.96 3.20 -0.54 0.05 116.97 120.71 1k2r h TYR 365 Ca 0.02 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.93 1k2r h TYR 365 Cb 0.58 0.55 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 1k2r h TYR 365 CO 0.08 -0.58 0.28 1.88 -1.64 0.00 0.00 178.16 178.18 1k2r h TYR 366 N -0.78 0.47 -0.56 -3.82 -1.99 -1.14 -0.79 116.97 108.37 1k2r h TYR 366 Ca -0.01 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 1k2r h TYR 366 Cb 0.75 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.30 1k2r h TYR 366 CO -0.35 0.28 0.01 1.03 -0.00 0.00 0.00 178.16 179.13 1k2r h SER 367 N 0.49 0.91 0.14 3.88 0.87 -0.44 0.64 113.55 120.04 1k2r h SER 367 Ca 0.16 -0.24 -0.11 0.00 -1.23 0.00 0.00 61.79 60.37 1k2r h SER 367 Cb 0.05 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 1k2r h SER 367 CO -0.04 0.96 -0.40 0.77 -0.53 0.00 0.00 176.83 177.60 1k2r h SER 368 N 0.87 0.37 -0.14 6.23 4.64 0.43 -2.32 113.55 123.63 1k2r h SER 368 Ca 0.16 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1k2r h SER 368 Cb 0.50 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1k2r h SER 368 CO 0.02 0.73 0.00 2.30 -0.87 0.00 0.00 176.83 179.02 1k2r n ILE 369 N -4.03 0.18 -3.29 0.95 -5.35 -0.81 -4.94 119.36 102.06 1k2r n ILE 369 Ca -0.01 -0.32 -0.15 0.00 -0.27 0.00 0.00 62.75 61.99 1k2r n ILE 369 Cb 0.49 0.35 0.07 0.00 -1.74 0.00 0.00 39.64 38.81 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 0.25 -3.22 -1.24 6.28 5.02 -0.69 -4.94 118.16 119.62 1k2r n LYS 370 Ca 0.16 0.87 -0.01 0.00 -2.02 0.00 0.00 58.31 57.31 1k2r n LYS 370 Cb 0.32 -5.84 -0.02 0.00 -0.02 0.00 0.00 35.03 29.47 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 -3.43 0.00 -2.14 1.97 5.12 0.13 -5.03 116.66 113.28 1k2r n ARG 371 Ca -0.12 -1.52 -0.42 0.00 -1.93 0.00 0.00 57.85 53.86 1k2r n ARG 371 Cb 0.63 0.18 -0.03 0.00 -1.16 0.00 0.00 32.46 32.08 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 0.00 2.93 0.00 -1.55 5.36 -1.13 -2.10 117.98 121.49 1k2r s PHE 372 Ca 0.19 0.77 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 1k2r s PHE 372 Cb 0.21 -3.73 0.00 0.00 -0.34 0.00 0.00 43.02 39.16 1k2r s PHE 372 CO -0.09 -2.71 0.00 0.41 -1.46 0.00 0.00 175.22 171.37 1k2r n GLY 373 N 3.65 2.00 3.37 13.12 0.00 -1.26 -5.02 105.19 121.05 1k2r n GLY 373 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1k2r n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k2r s SER 374 N -3.41 -0.46 0.18 1.61 1.04 -0.89 -4.68 113.70 107.09 1k2r s SER 374 Ca 0.00 0.99 0.06 0.00 0.48 0.00 0.00 55.95 57.48 1k2r s SER 374 Cb 0.00 -1.44 0.04 0.00 0.10 0.00 0.00 66.02 64.72 1k2r s SER 374 CO 0.00 -5.01 1.42 0.50 0.98 0.00 0.00 173.24 171.13 1k2r h LYS 375 N -3.18 0.08 -0.83 4.02 3.64 -1.96 -1.02 116.57 117.32 1k2r h LYS 375 Ca -0.48 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 58.78 1k2r h LYS 375 Cb 1.34 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.14 1k2r h LYS 375 CO 0.34 0.86 0.38 0.00 -2.27 0.00 0.00 179.45 178.77 1k2r h ALA 376 N 1.11 1.10 0.57 5.00 0.00 -1.91 -0.70 119.26 124.43 1k2r h ALA 376 Ca -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1k2r h ALA 376 Cb 1.46 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1k2r h ALA 376 CO 0.12 0.66 -0.27 1.25 0.00 0.00 0.00 179.25 181.01 1k2r h HIS 377 N 1.19 -0.71 -0.54 0.00 -0.00 -1.72 -2.86 115.15 110.51 1k2r h HIS 377 Ca 0.28 -0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.73 1k2r h HIS 377 Cb 0.15 0.23 -0.08 0.00 -0.00 0.00 0.00 27.41 27.72 1k2r h HIS 377 CO 0.02 -0.39 0.12 0.52 -0.00 0.00 0.00 177.93 178.20 1k2r h MET 378 N -1.10 0.25 -0.41 5.26 2.07 -1.08 -2.10 114.93 117.82 1k2r h MET 378 Ca -0.08 -0.01 -0.05 0.00 -2.07 0.00 0.00 59.70 57.49 1k2r h MET 378 Cb 0.64 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 30.30 1k2r h MET 378 CO 0.13 0.16 0.05 -0.44 1.07 0.00 0.00 176.91 177.88 1k2r h ASP 379 N 0.26 0.59 -0.34 1.22 3.32 -1.21 -1.71 116.42 118.55 1k2r h ASP 379 Ca 0.28 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1k2r h ASP 379 Cb 0.38 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1k2r h ASP 379 CO -0.35 0.62 0.08 -0.09 -1.72 0.00 0.00 179.24 177.78 1k2r h ARG 380 N 0.61 0.54 -0.58 3.56 9.65 -1.15 0.62 114.38 127.63 1k2r h ARG 380 Ca 0.13 -0.13 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1k2r h ARG 380 Cb 0.31 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 1k2r h ARG 380 CO 0.01 0.59 0.38 -0.07 2.80 0.00 0.00 179.97 183.68 1k2r h LEU 381 N 0.39 0.64 -0.23 3.80 3.38 -1.21 0.36 115.31 122.44 1k2r h LEU 381 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1k2r h LEU 381 Cb 0.30 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1k2r h LEU 381 CO 0.00 0.46 0.11 -0.08 0.09 0.00 0.00 178.44 179.01 1k2r h GLU 382 N 0.76 0.33 -0.09 1.13 4.81 -0.94 0.53 114.58 121.12 1k2r h GLU 382 Ca 0.22 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1k2r h GLU 382 Cb -0.05 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1k2r h GLU 382 CO -0.07 0.35 -0.02 1.49 -0.73 0.00 0.00 179.01 180.03 1k2r h GLU 383 N 0.24 0.00 0.22 1.92 4.81 0.81 -1.78 114.58 120.80 1k2r h GLU 383 Ca 0.08 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1k2r h GLU 383 Cb 0.13 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1k2r h GLU 383 CO -0.01 0.00 -0.11 0.28 -0.73 0.00 0.00 179.01 178.44 1k2r h VAL 384 N 0.00 0.80 -0.64 0.32 2.07 -0.10 -0.67 116.25 118.04 1k2r h VAL 384 Ca 0.04 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1k2r h VAL 384 Cb 0.06 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 1k2r h VAL 384 CO -0.09 0.02 0.27 -1.13 0.02 0.00 0.00 177.57 176.67 1k2r h ASN 385 N -0.35 0.31 0.39 0.57 -1.24 -0.85 0.15 115.58 114.57 1k2r h ASN 385 Ca -0.03 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 1k2r h ASN 385 Cb 0.27 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 1k2r h ASN 385 CO 0.05 0.18 -0.38 0.11 -1.29 0.00 0.00 177.43 176.11 1k2r h LYS 386 N 0.48 -0.76 -0.62 6.67 1.57 -1.09 -1.46 116.57 121.36 1k2r h LYS 386 Ca 0.32 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.27 1k2r h LYS 386 Cb 0.36 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 32.76 1k2r h LYS 386 CO -0.28 -0.51 0.14 1.49 -0.57 0.00 0.00 179.45 179.71 1k2r h GLU 387 N -0.79 0.26 0.64 3.15 4.81 -0.36 -0.72 114.58 121.56 1k2r h GLU 387 Ca -0.03 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1k2r h GLU 387 Cb 0.70 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1k2r h GLU 387 CO -0.06 0.17 -0.47 0.82 -0.73 0.00 0.00 179.01 178.75 1k2r h ILE 388 N 0.26 0.07 -0.62 2.32 2.04 -0.26 0.40 117.51 121.72 1k2r h ILE 388 Ca 0.33 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.31 1k2r h ILE 388 Cb 0.49 0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 36.54 1k2r h ILE 388 CO -0.41 0.00 0.10 -0.08 0.00 0.00 0.00 178.15 177.75 1k2r h GLU 389 N -1.06 0.21 0.00 2.37 4.57 -0.82 3.47 114.58 123.32 1k2r h GLU 389 Ca -0.08 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.03 1k2r h GLU 389 Cb 0.88 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1k2r h GLU 389 CO 0.03 0.14 -0.25 0.66 -1.18 0.00 0.00 179.01 178.41 1k2r h SER 390 N 0.22 0.00 0.00 1.04 4.64 -0.97 -3.37 113.55 115.11 1k2r h SER 390 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1k2r h SER 390 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1k2r h SER 390 CO -0.45 0.25 0.00 0.35 -0.87 0.00 0.00 176.83 176.11 1k2r n THR 391 N -3.18 0.00 0.00 2.95 -2.24 0.14 -5.01 114.28 106.94 1k2r n THR 391 Ca 0.03 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1k2r n THR 391 Cb 0.61 1.37 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 1k2r n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k2r n SER 392 N -0.06 0.00 0.00 3.42 7.64 1.15 -4.87 113.62 120.89 1k2r n SER 392 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1k2r n SER 392 Cb 0.09 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1k2r n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1k2r n THR 393 N -1.66 0.00 -3.64 0.44 5.66 -1.24 -4.54 114.28 109.29 1k2r n THR 393 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1k2r n THR 393 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 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 1.25 -0.05 -0.06 1.09 -0.85 -1.26 -2.21 117.35 115.26 1k2r s TYR 394 Ca 0.00 0.09 -0.12 0.00 -0.52 0.00 0.00 57.07 56.52 1k2r s TYR 394 Cb 0.00 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.78 1k2r s TYR 394 CO 0.00 -0.04 0.31 -0.65 -1.52 0.00 0.00 175.55 173.65 1k2r s GLN 395 N -0.71 3.83 0.17 -3.49 -1.52 -1.26 -5.03 119.66 111.65 1k2r s GLN 395 Ca 0.08 0.19 -0.21 0.00 -1.95 0.00 0.00 55.36 53.47 1k2r s GLN 395 Cb -0.02 -3.25 -0.08 0.00 -0.22 0.00 0.00 33.01 29.45 1k2r s GLN 395 CO -0.10 0.64 0.71 -0.51 -0.25 0.00 0.00 175.29 175.78 1k2r s LEU 396 N -0.80 4.46 0.49 2.90 1.43 -1.26 -5.05 118.68 120.85 1k2r s LEU 396 Ca 0.20 1.45 -0.21 0.00 -1.03 0.00 0.00 54.13 54.55 1k2r s LEU 396 Cb -0.15 -3.35 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 1k2r s LEU 396 CO 0.09 0.14 1.08 -0.54 0.23 0.00 0.00 176.35 177.35 1k2r s LYS 397 N -1.53 3.71 0.28 1.70 1.02 -1.26 -4.80 119.74 118.85 1k2r s LYS 397 Ca 0.38 1.49 0.01 0.00 0.02 0.00 0.00 55.97 57.86 1k2r s LYS 397 Cb -0.19 -2.15 0.64 0.00 -0.52 0.00 0.00 37.83 35.61 1k2r s LYS 397 CO 0.22 -0.53 1.68 -0.44 -0.92 0.00 0.00 175.35 175.36 1k2r h ASP 398 N 1.61 0.13 -0.77 2.83 5.19 -1.99 0.11 116.42 123.52 1k2r h ASP 398 Ca -0.49 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.07 1k2r h ASP 398 Cb 1.23 0.19 -0.04 0.00 0.18 0.00 0.00 39.33 40.90 1k2r h ASP 398 CO 0.59 -0.06 0.46 0.71 -3.12 0.00 0.00 179.24 177.82 1k2r h THR 399 N 0.30 1.22 -0.25 0.35 1.35 -2.00 -1.45 112.91 112.45 1k2r h THR 399 Ca 0.51 -0.51 -0.19 0.00 -0.55 0.00 0.00 66.41 65.67 1k2r h THR 399 Cb 0.97 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1k2r h THR 399 CO -0.56 0.24 -0.61 -0.33 -0.25 0.00 0.00 175.52 174.00 1k2r h GLU 400 N 1.08 0.83 -0.61 4.72 5.08 -1.23 -2.28 114.58 122.17 1k2r h GLU 400 Ca 0.28 -0.57 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1k2r h GLU 400 Cb -0.02 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1k2r h GLU 400 CO -0.05 1.19 0.31 1.25 -1.00 0.00 0.00 179.01 180.71 1k2r h LEU 401 N 0.62 0.79 -0.89 1.33 5.85 -0.65 0.36 115.31 122.72 1k2r h LEU 401 Ca -0.00 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 1k2r h LEU 401 Cb 1.22 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1k2r h LEU 401 CO 0.13 0.68 -0.04 0.40 -0.34 0.00 0.00 178.44 179.27 1k2r h ILE 402 N 0.83 1.25 -0.28 4.05 2.04 -1.28 -0.99 117.51 123.13 1k2r h ILE 402 Ca 0.21 -1.06 -0.09 0.00 1.00 0.00 0.00 64.86 64.92 1k2r h ILE 402 Cb 0.09 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1k2r h ILE 402 CO -0.03 0.37 -0.17 0.22 0.00 0.00 0.00 178.15 178.54 1k2r h TYR 403 N 0.72 0.72 -0.19 1.37 3.20 -0.84 -2.43 116.97 119.53 1k2r h TYR 403 Ca 0.13 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1k2r h TYR 403 Cb 0.50 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1k2r h TYR 403 CO 0.03 0.87 0.09 0.78 -1.64 0.00 0.00 178.16 178.29 1k2r h GLY 404 N 0.36 0.29 0.91 1.82 0.00 -0.05 -1.95 103.07 104.44 1k2r h GLY 404 Ca 0.06 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.27 1k2r h GLY 404 CO 0.05 0.13 0.23 0.00 0.00 0.00 0.00 176.54 176.95 1k2r h ALA 405 N 0.97 0.49 -0.62 3.60 0.00 -1.19 -0.09 119.26 122.41 1k2r h ALA 405 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1k2r h ALA 405 Cb 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1k2r h ALA 405 CO -0.01 -0.11 0.25 0.87 0.00 0.00 0.00 179.25 180.25 1k2r h LYS 406 N 0.46 0.90 0.00 0.00 1.57 -1.36 -2.66 116.57 115.48 1k2r h LYS 406 Ca 0.15 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1k2r h LYS 406 Cb 0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1k2r h LYS 406 CO -0.07 0.73 -0.69 0.45 -0.57 0.00 0.00 179.45 179.30 1k2r h HIS 407 N 0.89 0.00 -0.16 -1.35 3.86 -0.84 0.19 115.15 117.74 1k2r h HIS 407 Ca 0.21 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 1k2r h HIS 407 Cb 0.16 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1k2r h HIS 407 CO 0.01 0.69 0.08 0.00 0.86 0.00 0.00 177.93 179.57 1k2r h ALA 408 N 1.31 0.20 -0.14 2.45 0.00 -0.73 0.26 119.26 122.61 1k2r h ALA 408 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1k2r h ALA 408 Cb 1.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1k2r h ALA 408 CO 0.09 -0.24 0.08 2.35 0.00 0.00 0.00 179.25 181.53 1k2r h TRP 409 N 0.13 0.20 -0.55 0.00 7.01 -1.35 -1.96 115.95 119.43 1k2r h TRP 409 Ca 0.05 -0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.21 1k2r h TRP 409 Cb 0.11 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 1k2r h TRP 409 CO -0.03 0.20 0.39 -0.09 -2.79 0.00 0.00 178.44 176.12 1k2r h ARG 410 N 0.14 0.00 -0.01 2.65 2.43 -0.10 -1.53 114.38 117.96 1k2r h ARG 410 Ca 0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1k2r h ARG 410 Cb 0.07 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1k2r h ARG 410 CO -0.01 0.00 -0.28 0.09 -1.51 0.00 0.00 179.97 178.27 1k2r n ASN 411 N -4.37 1.65 -4.55 -3.80 3.02 0.87 -4.88 115.26 103.19 1k2r n ASN 411 Ca 0.10 -1.31 -0.38 0.00 -0.03 0.00 0.00 54.58 52.97 1k2r n ASN 411 Cb 0.62 0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.99 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 -2.38 2.16 -0.28 5.41 0.00 -0.58 -4.73 121.76 121.36 1k2r s ALA 412 Ca 0.24 -0.72 0.22 0.00 0.00 0.00 0.00 51.96 51.70 1k2r s ALA 412 Cb 0.19 -4.32 1.12 0.00 0.00 0.00 0.00 23.12 20.12 1k2r s ALA 412 CO 0.49 -3.94 1.68 -1.13 0.00 0.00 0.00 175.76 172.87 1k2r n SER 413 N 12.73 0.61 -0.84 0.00 3.41 -1.26 -1.72 113.62 126.55 1k2r n SER 413 Ca 0.21 0.74 0.12 0.00 -0.26 0.00 0.00 58.87 59.68 1k2r n SER 413 Cb 0.52 -0.83 0.21 0.00 -0.26 0.00 0.00 64.21 63.85 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 -2.27 2.16 -3.52 4.33 1.74 -1.26 0.32 116.66 118.16 1k2r n ARG 414 Ca -0.00 -1.69 -0.37 0.00 -0.77 0.00 0.00 57.85 55.01 1k2r n ARG 414 Cb 0.10 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 29.99 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 4.41 0.00 -0.64 0.00 3.14 -1.26 -4.14 118.33 119.84 1k2r n VAL 416 Ca -0.12 -0.05 0.07 0.00 -2.96 0.00 0.00 64.34 61.28 1k2r n VAL 416 Cb 0.51 0.49 0.36 0.00 -1.06 0.00 0.00 33.84 34.14 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 1.46 2.75 0.00 7.55 0.00 -1.26 -4.48 105.19 111.21 1k2r n GLY 417 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.68 0.00 0.32 1.61 1.74 -1.26 -1.96 116.66 117.79 1k2r n ARG 418 Ca 0.25 0.46 0.21 0.00 -0.77 0.00 0.00 57.85 58.00 1k2r n ARG 418 Cb 1.04 -1.50 1.07 0.00 -1.02 0.00 0.00 32.46 32.05 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 -0.06 0.55 2.10 -1.90 -0.48 117.51 117.71 1k2r h ILE 419 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 1k2r h ILE 419 Cb 0.02 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 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 -3.06 1.93 -0.34 2.19 1.13 -0.83 -4.61 117.38 113.79 1k2r n GLN 420 Ca -0.02 -1.36 0.16 0.00 -1.94 0.00 0.00 57.00 53.84 1k2r n GLN 420 Cb 0.13 -1.47 0.36 0.00 0.11 0.00 0.00 30.24 29.38 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 3.20 1.01 -0.00 1.08 5.08 -1.27 -1.80 115.95 123.24 1k2r h TRP 421 Ca 0.00 0.04 -0.09 0.00 1.08 0.00 0.00 58.89 59.92 1k2r h TRP 421 Cb 0.68 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 26.54 1k2r h TRP 421 CO 0.03 0.10 -0.42 0.66 -1.28 0.00 0.00 178.44 177.53 1k2r h SER 422 N 0.62 0.01 -2.88 0.11 4.64 -1.83 -3.35 113.55 110.88 1k2r h SER 422 Ca 0.62 -0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 61.17 1k2r h SER 422 Cb 1.13 -0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.98 1k2r h SER 422 CO -0.45 0.43 0.89 -0.54 -0.87 0.00 0.00 176.83 176.28 1k2r s LYS 423 N -4.08 4.13 -0.08 4.77 1.02 -0.68 -4.97 119.74 119.87 1k2r s LYS 423 Ca -0.03 -2.88 0.01 0.00 0.02 0.00 0.00 55.97 53.09 1k2r s LYS 423 Cb 0.14 -4.80 0.02 0.00 -0.52 0.00 0.00 37.83 32.66 1k2r s LYS 423 CO 0.73 -1.50 -0.09 -1.17 -0.92 0.00 0.00 175.35 172.40 1k2r s LEU 424 N 0.18 1.40 -0.34 3.17 2.96 -1.26 -4.65 118.68 120.15 1k2r s LEU 424 Ca 0.36 -0.26 -0.26 0.00 -0.22 0.00 0.00 54.13 53.75 1k2r s LEU 424 Cb -0.06 -0.76 0.01 0.00 0.50 0.00 0.00 46.19 45.88 1k2r s LEU 424 CO -0.04 -0.04 0.91 -1.58 -1.32 0.00 0.00 176.35 174.28 1k2r s GLN 425 N 1.11 3.93 -0.25 1.98 2.00 -0.93 -4.97 119.66 122.52 1k2r s GLN 425 Ca -0.07 0.68 -0.11 0.00 -2.00 0.00 0.00 55.36 53.87 1k2r s GLN 425 Cb -0.14 -3.76 -0.05 0.00 0.80 0.00 0.00 33.01 29.85 1k2r s GLN 425 CO -0.01 -0.85 0.17 0.08 -0.50 0.00 0.00 175.29 174.18 1k2r s VAL 426 N 3.33 5.31 -0.28 1.34 1.01 -1.26 -0.91 120.40 128.94 1k2r s VAL 426 Ca 0.38 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 1k2r s VAL 426 Cb -0.13 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1k2r s VAL 426 CO 0.16 0.32 0.08 -0.36 0.00 0.00 0.00 175.10 175.30 1k2r s PHE 427 N 1.29 3.12 -0.75 5.22 0.08 0.78 -4.97 117.98 122.74 1k2r s PHE 427 Ca 0.07 -0.68 -0.26 0.00 0.12 0.00 0.00 56.93 56.18 1k2r s PHE 427 Cb -0.14 -2.26 0.04 0.00 -0.57 0.00 0.00 43.02 40.08 1k2r s PHE 427 CO 0.06 -0.47 1.26 0.34 -0.10 0.00 0.00 175.22 176.31 1k2r s ASP 428 N 1.56 6.18 -0.34 1.36 -1.08 -1.26 -1.07 116.67 122.03 1k2r s ASP 428 Ca 0.05 -0.57 0.09 0.00 -0.52 0.00 0.00 52.55 51.60 1k2r s ASP 428 Cb -0.16 -2.55 0.72 0.00 -1.46 0.00 0.00 42.92 39.48 1k2r s ASP 428 CO 0.03 -1.78 1.80 0.00 0.52 0.00 0.00 175.17 175.74 1k2r n ALA 429 N 9.17 4.67 0.35 3.66 0.00 0.13 -4.59 120.51 133.90 1k2r n ALA 429 Ca 0.04 -2.47 0.10 0.00 0.00 0.00 0.00 53.44 51.11 1k2r n ALA 429 Cb 0.49 -1.23 0.43 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.35 0.13 -0.04 0.00 1.74 -0.93 -1.91 116.66 115.30 1k2r n ARG 430 Ca 0.43 0.43 0.13 0.00 -0.77 0.00 0.00 57.85 58.06 1k2r n ARG 430 Cb 1.40 -1.78 0.40 0.00 -1.02 0.00 0.00 32.46 31.46 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 -2.03 1.92 -4.77 0.55 5.68 -1.26 -4.43 116.55 112.20 1k2r n ASP 431 Ca 0.02 -1.67 -0.40 0.00 -0.50 0.00 0.00 54.79 52.23 1k2r n ASP 431 Cb 0.16 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.07 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 0.82 0.00 -4.27 0.00 -2.24 -1.26 -4.74 114.28 102.60 1k2r n THR 433 Ca 0.00 -0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 61.44 1k2r n THR 433 Cb 0.44 0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.63 0.65 0.13 4.28 -4.23 -1.26 -4.48 115.64 110.10 1k2r s THR 434 Ca 0.00 -1.99 -0.17 0.00 -1.18 0.00 0.00 61.69 58.35 1k2r s THR 434 Cb 0.00 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 1k2r s THR 434 CO 0.00 -0.32 1.68 0.00 -0.54 0.00 0.00 174.62 175.44 1k2r h ALA 435 N 2.59 0.48 -0.87 3.99 0.00 -1.90 0.32 119.26 123.87 1k2r h ALA 435 Ca -0.37 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.48 1k2r h ALA 435 Cb 1.22 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1k2r h ALA 435 CO 0.62 0.07 0.53 0.45 0.00 0.00 0.00 179.25 180.93 1k2r h HIS 436 N 0.45 0.98 -0.73 0.00 -0.00 -1.96 0.38 115.15 114.26 1k2r h HIS 436 Ca 0.12 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.50 1k2r h HIS 436 Cb 0.18 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.25 1k2r h HIS 436 CO -0.00 0.46 0.36 0.78 -0.00 0.00 0.00 177.93 179.53 1k2r h GLY 437 N 0.94 1.10 1.42 2.45 0.00 -1.74 -0.33 103.07 106.91 1k2r h GLY 437 Ca 0.39 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 1k2r h GLY 437 CO -0.20 0.50 -0.34 -0.33 0.00 0.00 0.00 176.54 176.17 1k2r h MET 438 N 1.03 0.64 -0.39 4.80 0.00 0.12 -1.70 114.93 119.43 1k2r h MET 438 Ca 0.25 -0.30 -0.02 0.00 0.00 0.00 0.00 59.70 59.64 1k2r h MET 438 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 31.60 31.66 1k2r h MET 438 CO -0.03 0.89 0.19 0.35 0.00 0.00 0.00 176.91 178.30 1k2r h PHE 439 N 0.54 0.57 -0.54 -0.22 3.04 0.56 0.60 116.94 121.50 1k2r h PHE 439 Ca 0.06 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1k2r h PHE 439 Cb 0.84 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.15 1k2r h PHE 439 CO 0.04 0.48 0.28 -0.97 -2.02 0.00 0.00 178.31 176.12 1k2r h ASN 440 N 0.50 0.68 -0.75 0.41 -1.24 -0.94 -0.38 115.58 113.86 1k2r h ASN 440 Ca 0.14 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 1k2r h ASN 440 Cb 0.13 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 38.97 1k2r h ASN 440 CO -0.02 0.59 0.42 1.88 -1.29 0.00 0.00 177.43 179.02 1k2r h TYR 441 N 0.72 1.02 -0.40 0.67 -1.99 -0.93 -2.32 116.97 113.74 1k2r h TYR 441 Ca 0.19 -0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.75 1k2r h TYR 441 Cb 0.07 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.47 1k2r h TYR 441 CO -0.01 0.70 -0.32 0.82 -0.00 0.00 0.00 178.16 179.35 1k2r h ILE 442 N 1.03 1.27 -0.59 -2.88 2.04 -0.58 -2.05 117.51 115.76 1k2r h ILE 442 Ca 0.27 -1.49 0.05 0.00 1.00 0.00 0.00 64.86 64.68 1k2r h ILE 442 Cb 0.01 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1k2r h ILE 442 CO -0.05 0.50 0.32 0.00 0.00 0.00 0.00 178.15 178.92 1k2r h ASN 444 N 0.61 0.62 -0.05 0.00 2.35 -1.28 -1.40 115.58 116.44 1k2r h ASN 444 Ca 0.26 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1k2r h ASN 444 Cb 0.14 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1k2r h ASN 444 CO -0.16 0.71 0.01 -0.74 -1.65 0.00 0.00 177.43 175.60 1k2r h HIS 445 N 0.62 0.09 -0.84 1.19 2.76 -0.54 -1.36 115.15 117.07 1k2r h HIS 445 Ca 0.12 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1k2r h HIS 445 Cb 0.41 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 1k2r h HIS 445 CO 0.02 0.27 0.55 0.28 -1.30 0.00 0.00 177.93 177.75 1k2r h VAL 446 N -0.13 1.19 -0.05 5.26 2.07 -0.78 -0.48 116.25 123.33 1k2r h VAL 446 Ca 0.02 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1k2r h VAL 446 Cb 0.23 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1k2r h VAL 446 CO -0.00 0.20 -0.01 0.50 0.02 0.00 0.00 177.57 178.28 1k2r h LYS 447 N 1.12 0.11 0.50 1.57 3.64 -1.17 -1.46 116.57 120.87 1k2r h LYS 447 Ca 0.32 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1k2r h LYS 447 Cb -0.09 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1k2r h LYS 447 CO -0.08 0.45 -0.24 -0.92 -2.27 0.00 0.00 179.45 176.39 1k2r h TYR 448 N -0.24 -0.63 -0.94 1.91 3.20 -1.08 -2.27 116.97 116.91 1k2r h TYR 448 Ca 0.01 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1k2r h TYR 448 Cb 0.41 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 1k2r h TYR 448 CO 0.05 -0.39 0.62 0.00 -1.64 0.00 0.00 178.16 176.81 1k2r h ALA 449 N -0.16 1.19 -0.03 1.82 0.00 -1.15 -2.92 119.26 118.01 1k2r h ALA 449 Ca -0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1k2r h ALA 449 Cb 0.52 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1k2r h ALA 449 CO 0.11 0.59 0.01 1.15 0.00 0.00 0.00 179.25 181.10 1k2r h THR 450 N 1.27 1.19 -6.37 0.00 2.02 -1.25 0.68 112.91 110.46 1k2r h THR 450 Ca 0.35 -0.57 -0.49 0.00 0.77 0.00 0.00 66.41 66.47 1k2r h THR 450 Cb -0.14 1.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 1k2r h THR 450 CO -0.08 0.15 -0.77 -3.20 0.37 0.00 0.00 175.52 171.99 1k2r n ASN 451 N -4.95 -4.40 -0.96 4.18 4.05 -0.86 -1.33 115.26 110.99 1k2r n ASN 451 Ca -0.07 -0.82 -0.13 0.00 0.45 0.00 0.00 54.58 54.01 1k2r n ASN 451 Cb 0.14 -3.70 -0.05 0.00 1.23 0.00 0.00 39.78 37.40 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 -4.62 -1.04 0.00 1.20 5.02 -1.26 -2.71 118.16 114.74 1k2r n LYS 452 Ca 0.03 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1k2r n LYS 452 Cb 0.53 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.52 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 -1.10 2.39 3.40 0.72 0.00 -0.44 -4.92 105.19 105.24 1k2r n GLY 453 Ca -0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.44 1k2r n GLY 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k2r s ASN 454 N -1.81 6.89 0.42 1.61 3.04 -1.10 0.17 114.94 124.16 1k2r s ASN 454 Ca 0.00 -2.71 -0.26 0.00 0.04 0.00 0.00 52.86 49.93 1k2r s ASN 454 Cb 0.00 -2.31 -0.09 0.00 -1.54 0.00 0.00 41.25 37.32 1k2r s ASN 454 CO 0.00 -0.71 1.34 -0.76 -3.04 0.00 0.00 177.10 173.93 1k2r s LEU 455 N 0.98 4.18 -0.06 3.21 1.43 -1.21 -4.29 118.68 122.92 1k2r s LEU 455 Ca 0.30 2.72 0.02 0.00 -1.03 0.00 0.00 54.13 56.15 1k2r s LEU 455 Cb -0.07 -3.92 0.01 0.00 0.03 0.00 0.00 46.19 42.24 1k2r s LEU 455 CO -0.07 -0.95 -0.13 -0.13 0.23 0.00 0.00 176.35 175.30 1k2r s ARG 456 N -2.31 1.76 0.46 1.70 0.52 0.23 -5.00 118.95 116.31 1k2r s ARG 456 Ca 0.58 -0.45 -0.23 0.00 -0.52 0.00 0.00 55.73 55.11 1k2r s ARG 456 Cb -0.39 -1.45 -0.07 0.00 0.52 0.00 0.00 34.95 33.55 1k2r s ARG 456 CO 0.51 0.05 1.19 -1.54 0.02 0.00 0.00 175.30 175.53 1k2r s SER 457 N 0.59 6.13 0.09 0.23 1.04 -1.26 -4.46 113.70 116.05 1k2r s SER 457 Ca -0.14 2.37 -0.26 0.00 0.48 0.00 0.00 55.95 58.40 1k2r s SER 457 Cb -0.15 -2.61 0.08 0.00 0.10 0.00 0.00 66.02 63.44 1k2r s SER 457 CO 0.04 -0.95 0.76 0.00 0.98 0.00 0.00 173.24 174.07 1k2r s ALA 458 N -1.50 -1.69 -0.08 5.32 0.00 -0.28 -2.20 121.76 121.33 1k2r s ALA 458 Ca 0.63 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 1k2r s ALA 458 Cb -0.30 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.49 1k2r s ALA 458 CO 0.37 -0.76 0.23 -1.50 0.00 0.00 0.00 175.76 174.10 1k2r s ILE 459 N -3.44 0.01 -0.15 0.00 2.07 -0.09 -1.08 121.20 118.52 1k2r s ILE 459 Ca 0.04 -0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.21 1k2r s ILE 459 Cb -0.01 -0.34 -0.02 0.00 0.13 0.00 0.00 42.46 42.22 1k2r s ILE 459 CO -0.09 -0.03 -0.09 -0.89 -1.91 0.00 0.00 174.94 171.93 1k2r s THR 460 N -0.00 3.37 -0.27 4.00 2.01 -0.74 -0.16 115.64 123.85 1k2r s THR 460 Ca -0.01 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1k2r s THR 460 Cb -0.02 -2.45 0.04 0.00 0.01 0.00 0.00 72.50 70.08 1k2r s THR 460 CO 0.01 0.50 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.76 1k2r s ILE 461 N 0.47 2.74 0.63 1.82 1.01 -0.23 -3.50 121.20 124.13 1k2r s ILE 461 Ca -0.07 -1.30 -0.05 0.00 0.00 0.00 0.00 60.65 59.23 1k2r s ILE 461 Cb -0.15 -2.50 0.03 0.00 0.01 0.00 0.00 42.46 39.85 1k2r s ILE 461 CO 0.04 0.04 0.93 -0.36 0.00 0.00 0.00 174.94 175.58 1k2r s PHE 462 N 1.25 3.08 0.20 3.97 0.08 -1.05 0.19 117.98 125.69 1k2r s PHE 462 Ca -0.04 0.49 -0.30 0.00 0.12 0.00 0.00 56.93 57.20 1k2r s PHE 462 Cb -0.18 -2.91 -0.17 0.00 -0.57 0.00 0.00 43.02 39.19 1k2r s PHE 462 CO -0.03 -1.05 0.73 -2.30 -0.10 0.00 0.00 175.22 172.46 1k2r n PRO 463 N -2.68 0.37 -1.46 0.24 -0.02 -1.25 -4.70 135.00 125.49 1k2r n PRO 463 Ca 0.06 0.13 -0.31 0.00 -2.02 0.00 0.00 63.50 61.36 1k2r n PRO 463 Cb 0.59 -1.30 0.07 0.00 -0.02 0.00 0.00 33.50 32.84 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 -0.96 2.64 0.58 -0.52 -2.07 -1.26 -4.62 119.66 113.45 1k2r s GLN 464 Ca 0.66 1.08 -0.19 0.00 -1.82 0.00 0.00 55.36 55.09 1k2r s GLN 464 Cb -0.91 -1.95 -0.04 0.00 -1.09 0.00 0.00 33.01 29.02 1k2r s GLN 464 CO 0.57 -1.34 1.20 0.50 -1.32 0.00 0.00 175.29 174.90 1k2r s ARG 465 N -4.90 3.07 0.00 9.60 3.52 0.15 -4.96 118.95 125.44 1k2r s ARG 465 Ca 0.60 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 58.01 1k2r s ARG 465 Cb -0.16 -1.97 0.00 0.00 -1.56 0.00 0.00 34.95 31.26 1k2r s ARG 465 CO 0.54 -1.12 0.00 0.25 -0.81 0.00 0.00 175.30 174.16 1k2r n THR 466 N -1.47 0.00 -0.22 4.11 -2.24 -1.26 -4.76 114.28 108.44 1k2r n THR 466 Ca 0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 1k2r n THR 466 Cb 0.50 -0.28 0.27 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.60 3.66 0.00 3.42 5.75 -1.26 -4.87 116.55 122.65 1k2r n ASP 467 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1k2r n ASP 467 Cb 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 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 1.40 0.45 0.00 6.12 0.00 -1.26 -4.77 105.19 107.13 1k2r n GLY 468 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.69 1.14 -2.07 1.61 5.02 -1.26 -4.58 118.16 116.33 1k2r n LYS 469 Ca 0.00 -0.08 -0.26 0.00 -2.02 0.00 0.00 58.31 55.95 1k2r n LYS 469 Cb 0.10 -1.21 0.02 0.00 -0.02 0.00 0.00 35.03 33.92 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 -1.73 2.95 -2.35 2.13 8.25 -1.26 -4.37 115.22 118.83 1k2r n HIS 470 Ca -0.01 -2.49 -0.39 0.00 -0.26 0.00 0.00 57.72 54.57 1k2r n HIS 470 Cb 0.26 -0.39 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 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 -3.38 6.88 -0.14 0.41 1.11 -1.26 -3.15 116.67 117.14 1k2r s ASP 471 Ca 0.51 2.36 -0.13 0.00 0.18 0.00 0.00 52.55 55.47 1k2r s ASP 471 Cb 0.42 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.74 1k2r s ASP 471 CO -0.03 -0.43 0.28 -0.36 1.18 0.00 0.00 175.17 175.81 1k2r s PHE 472 N -1.29 3.50 0.00 4.23 0.40 -1.26 -0.08 117.98 123.48 1k2r s PHE 472 Ca 0.51 0.61 -0.01 0.00 -0.60 0.00 0.00 56.93 57.43 1k2r s PHE 472 Cb -0.32 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 40.92 1k2r s PHE 472 CO 0.41 0.34 0.02 1.03 0.70 0.00 0.00 175.22 177.72 1k2r s ARG 473 N 0.14 0.21 -0.36 0.44 1.81 0.14 -3.47 118.95 117.86 1k2r s ARG 473 Ca 0.16 -0.29 -0.08 0.00 -1.72 0.00 0.00 55.73 53.81 1k2r s ARG 473 Cb -0.13 0.08 0.04 0.00 -0.45 0.00 0.00 34.95 34.49 1k2r s ARG 473 CO 0.04 -0.04 0.15 0.08 -0.68 0.00 0.00 175.30 174.86 1k2r s VAL 474 N -0.78 4.05 0.37 3.52 1.01 -1.26 -0.35 120.40 126.97 1k2r s VAL 474 Ca -0.09 -1.10 0.16 0.00 0.00 0.00 0.00 61.98 60.95 1k2r s VAL 474 Cb -0.05 -3.31 0.14 0.00 0.00 0.00 0.00 36.38 33.16 1k2r s VAL 474 CO -0.00 -0.24 1.89 -0.50 0.00 0.00 0.00 175.10 176.24 1k2r h TRP 475 N 8.30 0.00 -4.14 5.22 4.06 -1.58 -3.42 115.95 124.39 1k2r h TRP 475 Ca -0.24 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.20 1k2r h TRP 475 Cb 1.09 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.36 1k2r h TRP 475 CO 0.59 0.30 0.42 -0.80 -3.56 0.00 0.00 178.44 175.38 1k2r s ASN 476 N -6.78 5.02 0.16 -3.49 -0.87 -1.26 -4.93 114.94 102.79 1k2r s ASN 476 Ca -0.03 2.23 0.15 0.00 -1.57 0.00 0.00 52.86 53.64 1k2r s ASN 476 Cb 0.14 -2.58 -0.06 0.00 -0.02 0.00 0.00 41.25 38.74 1k2r s ASN 476 CO 0.70 -1.70 1.15 0.77 -2.57 0.00 0.00 177.10 175.45 1k2r h SER 477 N 0.41 0.00 -4.29 -1.22 4.64 -1.90 -3.34 113.55 107.85 1k2r h SER 477 Ca -0.49 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.64 1k2r h SER 477 Cb 1.28 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.12 1k2r h SER 477 CO 0.54 0.60 -0.67 -1.10 -0.87 0.00 0.00 176.83 175.33 1k2r s GLN 478 N -2.91 0.17 0.32 4.77 -0.21 -1.26 -0.31 119.66 120.23 1k2r s GLN 478 Ca 0.01 -0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.18 1k2r s GLN 478 Cb 0.08 0.07 0.58 0.00 1.00 0.00 0.00 33.01 34.74 1k2r s GLN 478 CO 0.78 -0.03 1.94 -0.07 -2.12 0.00 0.00 175.29 175.79 1k2r h LEU 479 N 5.42 0.84 -8.12 2.90 3.38 -1.61 -3.38 115.31 114.73 1k2r h LEU 479 Ca -0.28 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.04 1k2r h LEU 479 Cb 1.21 -0.18 -0.34 0.00 0.09 0.00 0.00 40.66 41.43 1k2r h LEU 479 CO 0.45 0.55 -0.86 -0.63 0.09 0.00 0.00 178.44 178.04 1k2r s ILE 480 N -5.84 1.95 -0.07 1.22 1.01 -1.26 -4.88 121.20 113.32 1k2r s ILE 480 Ca -0.11 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.35 1k2r s ILE 480 Cb 0.19 -1.74 0.07 0.00 0.01 0.00 0.00 42.46 40.99 1k2r s ILE 480 CO 0.79 0.53 0.66 -0.13 0.00 0.00 0.00 174.94 176.78 1k2r s ARG 481 N 0.98 1.01 0.20 2.79 0.52 -1.26 -4.83 118.95 118.36 1k2r s ARG 481 Ca -0.04 0.31 -0.23 0.00 -0.52 0.00 0.00 55.73 55.25 1k2r s ARG 481 Cb -0.15 0.48 -0.08 0.00 0.52 0.00 0.00 34.95 35.72 1k2r s ARG 481 CO -0.05 -0.30 0.77 0.71 0.02 0.00 0.00 175.30 176.46 1k2r s TYR 482 N -1.03 3.80 0.75 -0.53 1.51 -1.26 -0.62 117.35 119.97 1k2r s TYR 482 Ca -0.10 1.56 -0.13 0.00 -1.01 0.00 0.00 57.07 57.39 1k2r s TYR 482 Cb -0.01 -2.73 0.05 0.00 -0.11 0.00 0.00 41.96 39.16 1k2r s TYR 482 CO 0.09 0.42 1.13 0.00 -1.11 0.00 0.00 175.55 176.08 1k2r s ALA 483 N -1.33 2.16 -0.04 3.71 0.00 0.19 -4.48 121.76 121.97 1k2r s ALA 483 Ca 0.40 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.92 1k2r s ALA 483 Cb -0.20 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1k2r s ALA 483 CO 0.24 -1.81 -0.07 0.20 0.00 0.00 0.00 175.76 174.32 1k2r s GLY 484 N -2.72 0.52 -0.06 0.00 0.00 -1.22 -1.08 107.32 102.76 1k2r s GLY 484 Ca 0.67 -0.20 0.02 0.00 0.00 0.00 0.00 44.72 45.21 1k2r s GLY 484 CO 0.49 0.18 -0.12 -0.19 0.00 0.00 0.00 173.10 173.47 1k2r s TYR 485 N 0.59 1.40 -0.14 1.90 1.51 0.12 -3.90 117.35 118.83 1k2r s TYR 485 Ca -0.09 -0.48 -0.19 0.00 -1.01 0.00 0.00 57.07 55.30 1k2r s TYR 485 Cb -0.12 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 1k2r s TYR 485 CO 0.01 -0.24 0.51 0.21 -1.11 0.00 0.00 175.55 174.93 1k2r s LYS 486 N 0.56 4.31 0.27 -0.62 2.20 -1.26 0.34 119.74 125.53 1k2r s LYS 486 Ca -0.12 0.49 -0.08 0.00 -0.36 0.00 0.00 55.97 55.90 1k2r s LYS 486 Cb -0.15 -3.47 -0.06 0.00 -1.51 0.00 0.00 37.83 32.64 1k2r s LYS 486 CO 0.03 0.06 0.57 -0.65 -0.36 0.00 0.00 175.35 175.00 1k2r s GLN 487 N 0.92 3.72 0.64 4.03 -1.52 -0.20 -4.93 119.66 122.32 1k2r s GLN 487 Ca 0.27 0.17 0.42 0.00 -1.95 0.00 0.00 55.36 54.27 1k2r s GLN 487 Cb -0.15 -2.63 2.27 0.00 -0.22 0.00 0.00 33.01 32.28 1k2r s GLN 487 CO 0.11 0.24 2.30 -1.00 -0.25 0.00 0.00 175.29 176.69 1k2r h PRO 488 N 2.07 0.00 -0.34 2.91 0.13 -1.97 0.36 132.00 135.16 1k2r h PRO 488 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1k2r h PRO 488 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1k2r h PRO 488 CO 0.67 0.00 0.23 0.22 -0.23 0.00 0.00 178.00 178.89 1k2r h ASP 489 N 0.00 0.25 0.00 1.44 3.58 -2.02 -3.45 116.42 116.22 1k2r h ASP 489 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1k2r h ASP 489 Cb 0.05 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1k2r h ASP 489 CO 0.00 0.17 0.00 0.61 -2.88 0.00 0.00 179.24 177.14 1k2r n GLY 490 N -1.52 2.22 3.89 -0.78 0.00 0.13 -5.07 105.19 104.06 1k2r n GLY 490 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1k2r n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k2r s SER 491 N -1.55 5.18 -0.05 1.61 1.04 -1.26 -4.80 113.70 113.87 1k2r s SER 491 Ca 0.00 0.99 0.06 0.00 0.48 0.00 0.00 55.95 57.48 1k2r s SER 491 Cb 0.00 -1.71 -0.02 0.00 0.10 0.00 0.00 66.02 64.40 1k2r s SER 491 CO 0.00 -1.49 -0.23 -0.89 0.98 0.00 0.00 173.24 171.61 1k2r s THR 492 N -3.39 2.25 -0.19 2.02 2.01 -1.26 -1.03 115.64 116.04 1k2r s THR 492 Ca 0.59 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 1k2r s THR 492 Cb -0.11 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1k2r s THR 492 CO 0.50 0.57 0.02 -0.22 -0.69 0.00 0.00 174.62 174.81 1k2r s LEU 493 N -0.33 3.49 0.00 4.42 1.98 0.15 -4.94 118.68 123.45 1k2r s LEU 493 Ca 0.02 -0.07 0.00 0.00 -2.89 0.00 0.00 54.13 51.18 1k2r s LEU 493 Cb -0.12 -1.88 0.00 0.00 0.66 0.00 0.00 46.19 44.85 1k2r s LEU 493 CO 0.02 0.12 0.00 0.61 -1.89 0.00 0.00 176.35 175.21 1k2r n GLY 494 N 3.86 0.54 3.53 7.98 0.00 -1.26 0.16 105.19 120.00 1k2r n GLY 494 Ca -0.17 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 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 6.30 0.46 1.61 -1.08 -0.24 -4.75 116.67 114.96 1k2r s ASP 495 Ca 0.00 -0.27 0.16 0.00 -0.52 0.00 0.00 52.55 51.91 1k2r s ASP 495 Cb 0.00 -2.28 1.11 0.00 -1.46 0.00 0.00 42.92 40.29 1k2r s ASP 495 CO 0.00 -0.63 2.00 -0.65 0.52 0.00 0.00 175.17 176.42 1k2r h PRO 496 N 8.68 0.29 0.00 4.34 0.11 -1.81 -1.92 132.00 141.70 1k2r h PRO 496 Ca -0.26 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1k2r h PRO 496 Cb 1.11 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1k2r h PRO 496 CO 0.83 0.19 -0.08 0.00 -0.21 0.00 0.00 178.00 178.73 1k2r h ALA 497 N 1.74 1.66 -0.55 -0.75 0.00 -1.92 -2.86 119.26 116.56 1k2r h ALA 497 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1k2r h ALA 497 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1k2r h ALA 497 CO -0.05 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.39 1k2r n ASN 498 N -4.15 4.47 0.19 0.00 3.02 -0.72 -4.64 115.26 113.43 1k2r n ASN 498 Ca -0.03 -2.49 -0.15 0.00 -0.03 0.00 0.00 54.58 51.88 1k2r n ASN 498 Cb 0.17 -0.54 -0.07 0.00 -0.61 0.00 0.00 39.78 38.73 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 3.51 0.36 -0.03 2.41 2.07 -1.57 0.18 116.25 123.17 1k2r h VAL 499 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1k2r h VAL 499 Cb 1.39 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1k2r h VAL 499 CO 0.21 0.00 -0.17 -0.61 0.02 0.00 0.00 177.57 177.02 1k2r h GLN 500 N -0.63 -0.26 -0.67 1.57 4.15 -1.84 -0.32 115.11 117.11 1k2r h GLN 500 Ca -0.01 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1k2r h GLN 500 Cb 0.58 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.30 1k2r h GLN 500 CO -0.07 -0.17 0.39 0.35 -1.93 0.00 0.00 178.83 177.40 1k2r h PHE 501 N -0.27 0.89 -0.38 3.99 3.57 -1.85 -2.35 116.94 120.54 1k2r h PHE 501 Ca 0.07 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1k2r h PHE 501 Cb 0.35 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1k2r h PHE 501 CO -0.24 0.60 0.24 1.15 -2.23 0.00 0.00 178.31 177.83 1k2r h THR 502 N 0.93 1.11 -0.51 4.41 2.02 0.16 -1.85 112.91 119.18 1k2r h THR 502 Ca 0.24 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.23 1k2r h THR 502 Cb -0.02 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 1k2r h THR 502 CO -0.04 0.11 0.26 -0.33 0.37 0.00 0.00 175.52 175.89 1k2r h GLU 503 N 0.50 0.50 -0.98 6.66 5.08 -0.58 -0.88 114.58 124.88 1k2r h GLU 503 Ca 0.14 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1k2r h GLU 503 Cb -0.03 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.05 1k2r h GLU 503 CO -0.03 0.33 0.64 0.82 -1.00 0.00 0.00 179.01 179.77 1k2r h ILE 504 N 0.51 1.16 -0.47 3.13 2.04 -1.12 0.36 117.51 123.12 1k2r h ILE 504 Ca 0.22 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1k2r h ILE 504 Cb 0.12 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.00 1k2r h ILE 504 CO -0.15 0.22 0.19 0.00 0.00 0.00 0.00 178.15 178.41 1k2r h ILE 506 N 0.61 1.17 -0.73 0.00 2.04 -0.47 0.31 117.51 120.45 1k2r h ILE 506 Ca 0.16 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.60 1k2r h ILE 506 Cb 0.20 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 1k2r h ILE 506 CO -0.01 0.14 0.38 -0.61 0.00 0.00 0.00 178.15 178.05 1k2r h GLN 507 N -0.08 0.63 0.00 2.37 4.15 -0.09 0.40 115.11 122.49 1k2r h GLN 507 Ca 0.02 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1k2r h GLN 507 Cb 0.21 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1k2r h GLN 507 CO -0.00 0.42 0.00 1.04 -1.93 0.00 0.00 178.83 178.36 1k2r n GLN 508 N -4.83 0.02 0.00 1.69 1.13 0.72 -4.84 117.38 111.28 1k2r n GLN 508 Ca 0.11 0.24 0.00 0.00 -1.94 0.00 0.00 57.00 55.41 1k2r n GLN 508 Cb 0.26 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.11 1k2r n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1k2r n GLY 509 N 0.01 0.87 3.77 1.08 0.00 0.13 -4.95 105.19 106.10 1k2r n GLY 509 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1k2r n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1k2r s TRP 510 N -1.27 3.01 -0.55 1.61 -0.00 0.10 -4.95 118.94 116.89 1k2r s TRP 510 Ca 0.00 1.46 -0.07 0.00 -0.00 0.00 0.00 56.10 57.49 1k2r s TRP 510 Cb 0.00 -3.59 0.14 0.00 -0.00 0.00 0.00 33.47 30.02 1k2r s TRP 510 CO 0.00 -1.73 0.40 0.15 -0.00 0.00 0.00 176.95 175.77 1k2r s LYS 511 N -2.03 2.57 0.18 5.86 1.02 -1.26 -4.31 119.74 121.77 1k2r s LYS 511 Ca 0.53 -2.07 -0.30 0.00 0.02 0.00 0.00 55.97 54.15 1k2r s LYS 511 Cb -0.37 -3.89 -0.08 0.00 -0.52 0.00 0.00 37.83 32.98 1k2r s LYS 511 CO 0.48 -1.18 1.22 0.00 -0.92 0.00 0.00 175.35 174.94 1k2r s ALA 512 N 0.78 3.45 -0.80 5.17 0.00 -1.26 -4.91 121.76 124.21 1k2r s ALA 512 Ca 0.11 0.98 0.17 0.00 0.00 0.00 0.00 51.96 53.22 1k2r s ALA 512 Cb -0.22 -3.43 0.72 0.00 0.00 0.00 0.00 23.12 20.19 1k2r s ALA 512 CO -0.03 -0.41 1.53 -2.30 0.00 0.00 0.00 175.76 174.55 1k2r n PRO 513 N 2.60 0.07 -3.82 0.00 -0.02 -1.26 -4.88 135.00 127.69 1k2r n PRO 513 Ca 0.05 0.34 -0.26 0.00 -2.02 0.00 0.00 63.50 61.61 1k2r n PRO 513 Cb 0.44 -1.64 0.03 0.00 -0.02 0.00 0.00 33.50 32.31 1k2r n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1k2r n ARG 514 N -1.78 -5.14 -2.59 -0.52 1.74 -1.26 -5.00 116.66 102.11 1k2r n ARG 514 Ca 0.03 0.60 -0.12 0.00 -0.77 0.00 0.00 57.85 57.58 1k2r n ARG 514 Cb 0.18 -5.30 0.00 0.00 -1.02 0.00 0.00 32.46 26.32 1k2r n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k2r n GLY 515 N -1.66 2.85 0.14 -0.13 0.00 -1.26 -5.05 105.19 100.08 1k2r n GLY 515 Ca -0.14 -2.23 0.04 0.00 0.00 0.00 0.00 46.02 43.70 1k2r n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1k2r h ARG 516 N 0.00 0.00 -2.04 1.61 2.43 -1.93 -3.40 114.38 111.05 1k2r h ARG 516 Ca -0.17 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.48 1k2r h ARG 516 Cb 0.61 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.76 1k2r h ARG 516 CO 0.26 0.36 -1.08 1.19 -1.51 0.00 0.00 179.97 179.18 1k2r n PHE 517 N -3.12 0.60 -3.22 2.20 3.01 -1.26 -4.32 117.46 111.35 1k2r n PHE 517 Ca 0.00 -3.78 -0.40 0.00 1.01 0.00 0.00 57.45 54.28 1k2r n PHE 517 Cb 0.71 -0.41 -0.07 0.00 -0.01 0.00 0.00 39.48 39.69 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 -2.16 6.44 -0.02 4.37 1.01 -1.26 -4.94 116.67 120.11 1k2r s ASP 518 Ca 0.39 0.48 -0.30 0.00 0.71 0.00 0.00 52.55 53.84 1k2r s ASP 518 Cb 0.28 -2.29 -0.07 0.00 1.01 0.00 0.00 42.92 41.85 1k2r s ASP 518 CO -0.09 -0.32 1.72 -0.69 0.21 0.00 0.00 175.17 176.00 1k2r s VAL 519 N 2.35 3.41 0.68 -1.27 1.01 -1.26 -0.64 120.40 124.68 1k2r s VAL 519 Ca 0.22 0.53 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 1k2r s VAL 519 Cb -0.16 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1k2r s VAL 519 CO 0.10 -0.04 1.16 -0.76 0.00 0.00 0.00 175.10 175.55 1k2r s LEU 520 N 4.01 3.40 0.48 3.92 1.43 0.21 -4.89 118.68 127.24 1k2r s LEU 520 Ca 0.77 2.20 -0.13 0.00 -1.03 0.00 0.00 54.13 55.94 1k2r s LEU 520 Cb -0.36 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.22 1k2r s LEU 520 CO 0.32 -1.88 0.89 -2.16 0.23 0.00 0.00 176.35 173.75 1k2r s PRO 521 N -3.90 3.81 0.15 1.29 0.04 -1.26 -4.73 135.00 130.40 1k2r s PRO 521 Ca 0.71 0.68 -0.28 0.00 0.04 0.00 0.00 61.00 62.16 1k2r s PRO 521 Cb -0.25 -2.25 -0.07 0.00 0.04 0.00 0.00 34.50 31.97 1k2r s PRO 521 CO 0.41 -0.21 0.88 -0.51 0.04 0.00 0.00 177.00 177.61 1k2r s LEU 522 N -4.17 4.56 -0.31 -3.56 1.43 0.13 -4.88 118.68 111.87 1k2r s LEU 522 Ca 0.55 1.74 -0.00 0.00 -1.03 0.00 0.00 54.13 55.38 1k2r s LEU 522 Cb -0.10 -3.46 0.07 0.00 0.03 0.00 0.00 46.19 42.72 1k2r s LEU 522 CO 0.35 0.08 0.02 -0.22 0.23 0.00 0.00 176.35 176.81 1k2r s LEU 523 N -0.62 4.10 -0.08 1.79 0.20 -1.26 -1.69 118.68 121.12 1k2r s LEU 523 Ca 0.41 -1.50 0.02 0.00 0.69 0.00 0.00 54.13 53.75 1k2r s LEU 523 Cb -0.24 -1.69 -0.02 0.00 -0.43 0.00 0.00 46.19 43.81 1k2r s LEU 523 CO 0.28 -0.30 -0.12 -0.76 -0.29 0.00 0.00 176.35 175.16 1k2r s LEU 524 N 1.17 2.86 -0.23 -0.68 1.43 0.47 -1.46 118.68 122.24 1k2r s LEU 524 Ca -0.02 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1k2r s LEU 524 Cb -0.20 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.44 1k2r s LEU 524 CO -0.03 0.30 -0.11 -1.58 0.23 0.00 0.00 176.35 175.16 1k2r s GLN 525 N -0.44 2.74 -0.03 1.70 0.74 0.53 0.02 119.66 124.93 1k2r s GLN 525 Ca 0.06 -1.02 0.03 0.00 0.05 0.00 0.00 55.36 54.48 1k2r s GLN 525 Cb -0.12 -2.84 -0.03 0.00 1.10 0.00 0.00 33.01 31.12 1k2r s GLN 525 CO 0.02 -0.38 -0.11 0.00 -0.55 0.00 0.00 175.29 174.27 1k2r s ALA 526 N 1.26 2.83 -0.65 1.58 0.00 -1.26 0.25 121.76 125.78 1k2r s ALA 526 Ca -0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 1k2r s ALA 526 Cb -0.16 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 21.94 1k2r s ALA 526 CO -0.07 0.58 0.14 -1.71 0.00 0.00 0.00 175.76 174.69 1k2r n ASN 527 N 1.99 -2.21 0.00 0.00 4.05 -1.25 -0.78 115.26 117.06 1k2r n ASN 527 Ca -0.17 0.11 0.00 0.00 0.45 0.00 0.00 54.58 54.97 1k2r n ASN 527 Cb 0.52 -1.95 0.00 0.00 1.23 0.00 0.00 39.78 39.59 1k2r n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1k2r n GLY 528 N -0.74 0.75 3.90 8.20 0.00 0.88 -4.43 105.19 113.76 1k2r n GLY 528 Ca -0.03 0.00 -0.28 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 -2.49 5.01 0.47 1.61 0.01 0.04 -4.82 114.94 114.76 1k2r s ASN 529 Ca 0.00 0.82 -0.24 0.00 -0.71 0.00 0.00 52.86 52.73 1k2r s ASN 529 Cb 0.00 -1.51 -0.08 0.00 0.41 0.00 0.00 41.25 40.07 1k2r s ASN 529 CO 0.00 -1.56 1.37 0.47 -1.51 0.00 0.00 177.10 175.87 1k2r n ASP 530 N -3.05 2.94 -4.75 -1.22 8.00 -1.26 -4.36 116.55 112.85 1k2r n ASP 530 Ca 0.07 1.08 -0.35 0.00 0.71 0.00 0.00 54.79 56.31 1k2r n ASP 530 Cb 0.59 -1.57 0.06 0.00 -0.02 0.00 0.00 41.12 40.18 1k2r n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1k2r s PRO 531 N -2.48 2.65 0.09 -0.24 0.04 -1.26 -4.74 135.00 129.07 1k2r s PRO 531 Ca 0.64 1.71 0.07 0.00 0.04 0.00 0.00 61.00 63.45 1k2r s PRO 531 Cb -0.46 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 1k2r s PRO 531 CO 0.56 -1.43 -0.18 -1.21 0.04 0.00 0.00 177.00 174.78 1k2r s GLU 532 N -3.69 1.00 0.30 4.56 2.02 0.10 -4.85 118.70 118.15 1k2r s GLU 532 Ca 0.74 -1.08 -0.09 0.00 0.02 0.00 0.00 54.97 54.56 1k2r s GLU 532 Cb -0.28 -1.15 -0.07 0.00 0.10 0.00 0.00 34.13 32.73 1k2r s GLU 532 CO 0.39 0.26 0.63 -0.51 0.02 0.00 0.00 175.26 176.05 1k2r s LEU 533 N -1.86 4.04 -0.28 1.80 1.43 -1.26 -0.39 118.68 122.16 1k2r s LEU 533 Ca 0.03 0.94 -0.24 0.00 -1.03 0.00 0.00 54.13 53.84 1k2r s LEU 533 Cb -0.10 -3.76 0.09 0.00 0.03 0.00 0.00 46.19 42.45 1k2r s LEU 533 CO 0.03 -0.21 0.82 -0.36 0.23 0.00 0.00 176.35 176.86 1k2r s PHE 534 N -2.06 -0.72 -0.11 0.29 0.40 -0.68 -4.97 117.98 110.12 1k2r s PHE 534 Ca 0.48 1.70 -0.08 0.00 -0.60 0.00 0.00 56.93 58.42 1k2r s PHE 534 Cb -0.11 0.34 -0.04 0.00 0.51 0.00 0.00 43.02 43.72 1k2r s PHE 534 CO 0.26 -0.35 0.18 -1.14 0.70 0.00 0.00 175.22 174.87 1k2r s GLN 535 N 0.50 3.56 0.16 0.44 0.74 -1.26 0.23 119.66 124.03 1k2r s GLN 535 Ca -0.00 -0.06 -0.30 0.00 0.05 0.00 0.00 55.36 55.04 1k2r s GLN 535 Cb -0.05 -3.21 -0.07 0.00 1.10 0.00 0.00 33.01 30.78 1k2r s GLN 535 CO -0.04 0.73 1.03 0.42 -0.55 0.00 0.00 175.29 176.88 1k2r s ILE 536 N -0.93 4.12 -0.25 -2.34 1.01 -1.26 -4.92 121.20 116.63 1k2r s ILE 536 Ca 0.16 1.84 -0.34 0.00 0.00 0.00 0.00 60.65 62.30 1k2r s ILE 536 Cb -0.13 -4.17 -0.11 0.00 0.01 0.00 0.00 42.46 38.06 1k2r s ILE 536 CO 0.05 0.32 2.06 -2.65 0.00 0.00 0.00 174.94 174.72 1k2r n PRO 537 N 2.40 1.54 -0.34 2.79 -0.02 -1.26 -4.81 135.00 135.31 1k2r n PRO 537 Ca 0.02 0.49 0.24 0.00 -2.02 0.00 0.00 63.50 62.23 1k2r n PRO 537 Cb 0.47 -2.60 0.48 0.00 -0.02 0.00 0.00 33.50 31.83 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 11.40 0.32 0.00 0.52 0.11 -1.95 0.71 132.00 143.11 1k2r h PRO 538 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1k2r h PRO 538 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1k2r h PRO 538 CO 0.98 0.21 0.00 -0.85 -0.21 0.00 0.00 178.00 178.13 1k2r n GLU 539 N -5.01 0.01 0.00 1.05 0.00 -1.26 -1.26 120.64 114.17 1k2r n GLU 539 Ca 0.32 0.35 0.11 0.00 0.00 0.00 0.00 57.16 57.93 1k2r n GLU 539 Cb 0.99 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.83 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 -1.49 0.54 -4.40 -1.84 4.32 0.25 -4.80 117.00 109.58 1k2r n LEU 540 Ca 0.02 -0.19 -0.44 0.00 -0.02 0.00 0.00 56.01 55.38 1k2r n LEU 540 Cb 0.09 -0.03 -0.04 0.00 -1.62 0.00 0.00 43.42 41.83 1k2r n LEU 540 CO 0.08 0.10 0.62 -0.69 -1.22 0.00 0.00 177.39 176.28 1k2r s VAL 541 N -3.24 4.80 0.03 4.08 1.01 -0.39 -4.79 120.40 121.90 1k2r s VAL 541 Ca 0.01 -1.20 -0.30 0.00 0.00 0.00 0.00 61.98 60.49 1k2r s VAL 541 Cb 0.15 -4.60 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1k2r s VAL 541 CO 0.87 -1.27 1.11 -0.22 0.00 0.00 0.00 175.10 175.58 1k2r s LEU 542 N 2.65 4.36 0.15 3.92 2.96 -1.26 -5.00 118.68 126.47 1k2r s LEU 542 Ca 0.19 1.86 0.06 0.00 -0.22 0.00 0.00 54.13 56.02 1k2r s LEU 542 Cb -0.16 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1k2r s LEU 542 CO 0.01 -0.39 -0.12 -1.61 -1.32 0.00 0.00 176.35 172.92 1k2r s GLU 543 N 1.10 1.11 -0.13 1.98 2.02 -1.26 -0.77 118.70 122.75 1k2r s GLU 543 Ca 0.56 -1.43 -0.00 0.00 0.02 0.00 0.00 54.97 54.12 1k2r s GLU 543 Cb -0.26 -0.80 0.03 0.00 0.10 0.00 0.00 34.13 33.20 1k2r s GLU 543 CO 0.28 0.12 -0.09 0.08 0.02 0.00 0.00 175.26 175.68 1k2r s VAL 544 N -2.95 1.17 0.17 2.63 1.01 0.58 -4.88 120.40 118.12 1k2r s VAL 544 Ca 0.16 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1k2r s VAL 544 Cb -0.00 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 35.13 1k2r s VAL 544 CO 0.03 0.37 1.03 -2.16 0.00 0.00 0.00 175.10 174.36 1k2r s PRO 545 N 1.65 4.67 -0.26 2.72 0.04 -1.26 -1.55 135.00 141.01 1k2r s PRO 545 Ca 0.05 1.60 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 1k2r s PRO 545 Cb -0.13 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 1k2r s PRO 545 CO -0.09 0.19 0.49 0.42 0.04 0.00 0.00 177.00 178.06 1k2r s ILE 546 N -0.34 5.09 0.16 0.56 -1.09 0.47 -4.86 121.20 121.18 1k2r s ILE 546 Ca 0.47 0.84 0.06 0.00 -2.23 0.00 0.00 60.65 59.79 1k2r s ILE 546 Cb -0.27 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1k2r s ILE 546 CO 0.33 0.10 -0.12 0.00 -1.23 0.00 0.00 174.94 174.02 1k2r s ARG 547 N 2.26 1.15 -0.06 2.79 3.03 -1.26 -4.04 118.95 122.81 1k2r s ARG 547 Ca 0.20 -1.48 -0.03 0.00 2.03 0.00 0.00 55.73 56.45 1k2r s ARG 547 Cb -0.16 -0.81 -0.04 0.00 -1.03 0.00 0.00 34.95 32.92 1k2r s ARG 547 CO 0.09 0.12 0.09 -1.58 -1.13 0.00 0.00 175.30 172.89 1k2r s HIS 548 N -3.12 3.38 0.37 5.89 2.46 -1.25 -4.39 115.29 118.63 1k2r s HIS 548 Ca 0.18 0.32 0.09 0.00 0.47 0.00 0.00 55.06 56.12 1k2r s HIS 548 Cb 0.01 -1.82 0.83 0.00 -0.13 0.00 0.00 32.58 31.46 1k2r s HIS 548 CO 0.03 0.60 1.93 -1.35 -2.47 0.00 0.00 174.74 173.47 1k2r h PRO 549 N 4.63 0.65 0.00 2.88 0.11 -1.93 -3.30 132.00 135.04 1k2r h PRO 549 Ca -0.51 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 1k2r h PRO 549 Cb 1.20 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1k2r h PRO 549 CO 0.59 0.43 -1.10 1.63 -0.21 0.00 0.00 178.00 179.34 1k2r n LYS 550 N -4.50 2.17 -2.98 1.05 5.02 -1.26 -4.92 118.16 112.73 1k2r n LYS 550 Ca 0.13 -0.01 -0.44 0.00 -2.02 0.00 0.00 58.31 55.97 1k2r n LYS 550 Cb 0.35 -1.04 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 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 -2.08 3.02 -0.10 2.13 2.99 -1.24 -4.88 117.98 117.82 1k2r s PHE 551 Ca -0.01 -1.12 0.28 0.00 0.00 0.00 0.00 56.93 56.07 1k2r s PHE 551 Cb 0.01 -4.19 1.35 0.00 0.00 0.00 0.00 43.02 40.18 1k2r s PHE 551 CO 0.07 -1.45 1.84 0.22 -0.00 0.00 0.00 175.22 175.89 1k2r h ASP 552 N 9.03 0.00 1.01 1.36 1.82 -1.92 -1.20 116.42 126.52 1k2r h ASP 552 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1k2r h ASP 552 Cb 1.05 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.06 1k2r h ASP 552 CO 1.10 0.00 -0.26 -2.67 -1.61 0.00 0.00 179.24 175.80 1k2r n TRP 553 N -2.49 0.41 0.03 0.28 4.27 -1.26 -3.98 117.44 114.70 1k2r n TRP 553 Ca -0.00 0.12 -0.12 0.00 -3.89 0.00 0.00 57.50 53.61 1k2r n TRP 553 Cb 0.13 -0.62 -0.06 0.00 -1.36 0.00 0.00 31.31 29.40 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 0.03 -0.36 -2.67 3.57 -1.58 -1.21 116.94 114.71 1k2r h PHE 554 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1k2r h PHE 554 Cb 0.63 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1k2r h PHE 554 CO 0.00 0.02 0.38 1.57 -2.23 0.00 0.00 178.31 178.05 1k2r h LYS 555 N 0.03 0.00 -0.00 1.11 2.10 -1.70 0.76 116.57 118.87 1k2r h LYS 555 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1k2r h LYS 555 Cb -0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1k2r h LYS 555 CO -0.01 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.19 1k2r n ASP 556 N -3.79 0.11 0.00 7.07 8.00 -0.46 -2.95 116.55 124.53 1k2r n ASP 556 Ca 0.06 -1.10 0.11 0.00 0.71 0.00 0.00 54.79 54.58 1k2r n ASP 556 Cb 0.54 -0.00 0.55 0.00 -0.02 0.00 0.00 41.12 42.19 1k2r n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1k2r n LEU 557 N -0.88 0.00 -1.06 0.64 4.77 0.26 -4.88 117.00 115.85 1k2r n LEU 557 Ca 0.22 0.39 -0.12 0.00 -0.03 0.00 0.00 56.01 56.47 1k2r n LEU 557 Cb 0.12 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.78 1k2r n LEU 557 CO 0.17 -0.08 -0.13 0.61 -1.33 0.00 0.00 177.39 176.63 1k2r n GLY 558 N 0.82 1.02 3.85 -0.72 0.00 -1.15 -5.00 105.19 104.01 1k2r n GLY 558 Ca 0.09 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.01 4.27 0.10 0.99 1.43 -1.26 -5.02 118.68 116.18 1k2r s LEU 559 Ca 0.00 1.03 -0.26 0.00 -1.03 0.00 0.00 54.13 53.87 1k2r s LEU 559 Cb 0.00 -3.43 0.08 0.00 0.03 0.00 0.00 46.19 42.87 1k2r s LEU 559 CO 0.00 0.03 0.89 -1.59 0.23 0.00 0.00 176.35 175.92 1k2r s LYS 560 N -2.28 1.08 0.17 1.70 -2.85 -1.26 -0.40 119.74 115.91 1k2r s LYS 560 Ca 0.41 -0.52 -0.15 0.00 -1.00 0.00 0.00 55.97 54.72 1k2r s LYS 560 Cb -0.14 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 1k2r s LYS 560 CO 0.20 -0.49 0.44 -0.46 0.10 0.00 0.00 175.35 175.14 1k2r s TRP 561 N -3.28 0.00 0.40 1.78 -0.11 -0.59 -4.90 118.94 112.23 1k2r s TRP 561 Ca 0.09 -0.35 -0.17 0.00 1.22 0.00 0.00 56.10 56.89 1k2r s TRP 561 Cb -0.01 0.25 -0.09 0.00 -1.50 0.00 0.00 33.47 32.12 1k2r s TRP 561 CO -0.03 -0.83 0.86 1.52 -4.62 0.00 0.00 176.95 173.85 1k2r s TYR 562 N -3.89 3.37 -0.16 5.86 -0.85 -1.26 -0.31 117.35 120.12 1k2r s TYR 562 Ca 0.10 1.39 0.16 0.00 -0.52 0.00 0.00 57.07 58.20 1k2r s TYR 562 Cb 0.01 -2.69 0.02 0.00 0.38 0.00 0.00 41.96 39.68 1k2r s TYR 562 CO -0.04 -0.08 1.29 0.78 -1.52 0.00 0.00 175.55 175.98 1k2r h GLY 563 N 1.80 0.00 -7.55 5.49 0.00 -1.29 -3.46 103.07 98.06 1k2r h GLY 563 Ca -0.48 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.14 1k2r h GLY 563 CO 0.63 0.00 -0.46 -2.27 0.00 0.00 0.00 176.54 174.44 1k2r s LEU 564 N -6.26 4.91 -0.16 3.11 2.96 -1.26 -4.56 118.68 117.41 1k2r s LEU 564 Ca 0.02 -0.87 -0.23 0.00 -0.22 0.00 0.00 54.13 52.84 1k2r s LEU 564 Cb 0.08 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1k2r s LEU 564 CO 0.76 -0.40 0.70 -2.16 -1.32 0.00 0.00 176.35 173.93 1k2r s PRO 565 N 1.65 4.28 -0.44 0.98 0.04 -1.26 -4.70 135.00 135.55 1k2r s PRO 565 Ca 0.04 0.79 0.05 0.00 0.04 0.00 0.00 61.00 61.92 1k2r s PRO 565 Cb -0.19 -3.55 0.18 0.00 0.04 0.00 0.00 34.50 30.98 1k2r s PRO 565 CO 0.09 -0.20 0.47 0.00 0.04 0.00 0.00 177.00 177.40 1k2r s ALA 566 N 1.74 0.21 0.19 8.56 0.00 -1.26 -3.29 121.76 127.92 1k2r s ALA 566 Ca 0.33 -1.76 -0.32 0.00 0.00 0.00 0.00 51.96 50.21 1k2r s ALA 566 Cb -0.16 -1.97 -0.15 0.00 0.00 0.00 0.00 23.12 20.84 1k2r s ALA 566 CO 0.12 -2.06 1.24 0.28 0.00 0.00 0.00 175.76 175.34 1k2r n VAL 567 N 2.90 0.88 -0.61 0.00 0.31 -1.00 -1.59 118.33 119.23 1k2r n VAL 567 Ca 0.26 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1k2r n VAL 567 Cb 0.51 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 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 2.08 0.66 -0.68 4.52 3.41 0.57 -1.68 113.62 122.51 1k2r n SER 568 Ca 0.14 -1.27 0.06 0.00 -0.26 0.00 0.00 58.87 57.54 1k2r n SER 568 Cb 0.26 0.00 0.17 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 -0.13 3.09 -4.96 4.04 0.23 -1.23 -4.47 115.26 111.83 1k2r n ASN 569 Ca 0.00 -2.18 -0.22 0.00 -0.53 0.00 0.00 54.58 51.65 1k2r n ASN 569 Cb 0.32 -0.28 0.04 0.00 -2.08 0.00 0.00 39.78 37.78 1k2r n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1k2r s MET 570 N -1.32 2.48 -0.11 -3.83 -1.94 -1.26 -4.37 119.30 108.96 1k2r s MET 570 Ca 0.26 -0.63 0.01 0.00 -1.71 0.00 0.00 55.69 53.63 1k2r s MET 570 Cb 0.16 -2.41 -0.02 0.00 2.01 0.00 0.00 34.83 34.58 1k2r s MET 570 CO 0.14 -0.83 -0.15 -1.17 -0.01 0.00 0.00 175.02 173.01 1k2r s LEU 571 N -4.88 2.62 -0.23 -0.03 2.96 0.33 -4.31 118.68 115.14 1k2r s LEU 571 Ca 0.58 -0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 54.07 1k2r s LEU 571 Cb -0.10 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1k2r s LEU 571 CO 0.40 0.21 0.10 -0.22 -1.32 0.00 0.00 176.35 175.52 1k2r s LEU 572 N 0.09 3.75 -0.19 -0.68 2.96 -0.45 0.35 118.68 124.51 1k2r s LEU 572 Ca -0.07 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1k2r s LEU 572 Cb -0.15 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1k2r s LEU 572 CO 0.05 0.04 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.37 1k2r s GLU 573 N 1.16 3.47 -0.07 1.98 2.12 0.33 -0.06 118.70 127.64 1k2r s GLU 573 Ca 0.05 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 54.79 1k2r s GLU 573 Cb -0.14 -2.94 0.02 0.00 0.26 0.00 0.00 34.13 31.33 1k2r s GLU 573 CO 0.04 -0.01 -0.07 0.42 -0.54 0.00 0.00 175.26 175.11 1k2r s ILE 574 N 0.99 0.80 -1.59 -3.70 1.01 -0.30 -1.87 121.20 116.55 1k2r s ILE 574 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.25 1k2r s ILE 574 Cb -0.15 -0.81 0.16 0.00 0.01 0.00 0.00 42.46 41.67 1k2r s ILE 574 CO 0.00 0.30 0.64 0.61 0.00 0.00 0.00 174.94 176.50 1k2r n GLY 575 N 4.38 -0.44 1.75 6.18 0.00 -1.26 0.67 105.19 116.46 1k2r n GLY 575 Ca -0.18 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.20 3.04 3.77 -0.02 0.00 -1.26 -3.27 105.19 106.25 1k2r n GLY 576 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 4.25 -0.20 0.99 1.43 0.21 -5.00 118.68 120.37 1k2r s LEU 577 Ca 0.00 2.28 -0.01 0.00 -1.03 0.00 0.00 54.13 55.37 1k2r s LEU 577 Cb 0.00 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.24 1k2r s LEU 577 CO 0.00 -0.55 -0.12 -1.61 0.23 0.00 0.00 176.35 174.30 1k2r s GLU 578 N -2.19 3.21 -0.58 1.70 2.02 -1.26 -1.15 118.70 120.44 1k2r s GLU 578 Ca 0.55 -0.72 -0.06 0.00 0.02 0.00 0.00 54.97 54.76 1k2r s GLU 578 Cb -0.29 -2.79 0.15 0.00 0.10 0.00 0.00 34.13 31.30 1k2r s GLU 578 CO 0.37 -0.18 0.42 -0.06 0.02 0.00 0.00 175.26 175.84 1k2r s PHE 579 N 1.32 3.49 -0.71 1.61 0.40 0.92 0.30 117.98 125.31 1k2r s PHE 579 Ca 0.04 -2.33 0.18 0.00 -0.60 0.00 0.00 56.93 54.23 1k2r s PHE 579 Cb -0.14 -3.38 0.78 0.00 0.51 0.00 0.00 43.02 40.80 1k2r s PHE 579 CO -0.07 -0.93 1.56 -1.13 0.70 0.00 0.00 175.22 175.36 1k2r n SER 580 N 4.13 0.34 -3.82 1.36 3.41 -1.26 -1.34 113.62 116.44 1k2r n SER 580 Ca 0.03 0.59 -0.29 0.00 -0.26 0.00 0.00 58.87 58.93 1k2r n SER 580 Cb 0.40 -0.66 -0.16 0.00 -0.26 0.00 0.00 64.21 63.54 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 -3.18 1.63 -0.36 7.33 0.00 -1.23 -4.61 121.76 121.34 1k2r s ALA 581 Ca 0.05 -1.37 0.13 0.00 0.00 0.00 0.00 51.96 50.77 1k2r s ALA 581 Cb 0.09 -1.47 0.41 0.00 0.00 0.00 0.00 23.12 22.15 1k2r s ALA 581 CO 0.31 -1.38 1.09 0.00 0.00 0.00 0.00 175.76 175.77 1k2r n PRO 583 N -0.19 1.38 -4.05 0.00 -0.04 -1.23 -4.66 135.00 126.20 1k2r n PRO 583 Ca 0.06 0.49 -0.11 0.00 -0.04 0.00 0.00 63.50 63.89 1k2r n PRO 583 Cb 0.81 -1.93 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 1k2r n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1k2r s PHE 584 N -0.69 0.55 0.03 0.54 -0.12 -0.68 -1.79 117.98 115.83 1k2r s PHE 584 Ca 0.64 -0.59 -0.09 0.00 -0.05 0.00 0.00 56.93 56.84 1k2r s PHE 584 Cb -0.74 -0.35 0.00 0.00 -0.63 0.00 0.00 43.02 41.31 1k2r s PHE 584 CO 0.57 -0.15 0.18 -1.54 -0.05 0.00 0.00 175.22 174.23 1k2r s SER 585 N -1.79 0.04 0.00 1.98 1.04 -0.24 -2.36 113.70 112.36 1k2r s SER 585 Ca -0.08 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1k2r s SER 585 Cb -0.07 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1k2r s SER 585 CO -0.01 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1k2r n GLY 586 N 0.86 3.25 3.23 7.32 0.00 -1.21 -1.13 105.19 117.51 1k2r n GLY 586 Ca -0.20 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 2.24 -0.01 0.48 1.61 -2.14 -1.26 -4.63 118.94 115.22 1k2r s TRP 587 Ca 0.00 -0.25 -0.20 0.00 2.66 0.00 0.00 56.10 58.30 1k2r s TRP 587 Cb 0.00 0.04 -0.09 0.00 -3.10 0.00 0.00 33.47 30.32 1k2r s TRP 587 CO 0.00 -0.52 1.02 0.71 -2.66 0.00 0.00 176.95 175.50 1k2r s TYR 588 N -3.08 3.05 -0.18 1.66 1.51 -1.26 -4.92 117.35 114.12 1k2r s TYR 588 Ca -0.01 1.58 -0.09 0.00 -1.01 0.00 0.00 57.07 57.54 1k2r s TYR 588 Cb 0.01 -3.03 -0.05 0.00 -0.11 0.00 0.00 41.96 38.79 1k2r s TYR 588 CO -0.07 -0.71 0.11 1.41 -1.11 0.00 0.00 175.55 175.19 1k2r s MET 589 N -3.22 4.01 0.32 -0.62 -2.45 -1.26 -1.50 119.30 114.57 1k2r s MET 589 Ca 0.66 -0.25 0.06 0.00 -1.25 0.00 0.00 55.69 54.92 1k2r s MET 589 Cb -0.15 -3.32 0.87 0.00 1.25 0.00 0.00 34.83 33.48 1k2r s MET 589 CO 0.19 0.36 1.59 0.78 1.05 0.00 0.00 175.02 178.99 1k2r h GLY 590 N 6.43 1.50 2.00 2.11 0.00 -0.94 -1.37 103.07 112.79 1k2r h GLY 590 Ca -0.42 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1k2r h GLY 590 CO 0.72 -0.54 -0.01 -0.91 0.00 0.00 0.00 176.54 175.80 1k2r h THR 591 N 0.06 0.06 -0.74 4.70 1.35 -1.95 -0.39 112.91 116.01 1k2r h THR 591 Ca 0.64 -0.16 -0.06 0.00 -0.55 0.00 0.00 66.41 66.28 1k2r h THR 591 Cb 1.42 1.15 -0.03 0.00 -1.73 0.00 0.00 68.15 68.95 1k2r h THR 591 CO -0.82 0.01 0.22 -0.33 -0.25 0.00 0.00 175.52 174.35 1k2r h GLU 592 N 0.00 1.16 0.00 4.72 5.08 -1.66 -0.93 114.58 122.95 1k2r h GLU 592 Ca -0.00 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 1k2r h GLU 592 Cb 0.15 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1k2r h GLU 592 CO 0.00 0.99 -0.73 0.82 -1.00 0.00 0.00 179.01 179.09 1k2r h ILE 593 N 1.11 0.40 -0.40 3.13 2.04 -1.60 -1.60 117.51 120.59 1k2r h ILE 593 Ca 0.24 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.64 1k2r h ILE 593 Cb 0.32 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1k2r h ILE 593 CO -0.01 0.14 0.27 1.23 0.00 0.00 0.00 178.15 179.77 1k2r h GLY 594 N -1.00 0.50 0.00 5.37 0.00 -1.17 -0.84 103.07 105.93 1k2r h GLY 594 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1k2r h GLY 594 CO -0.08 0.16 -0.80 -0.62 0.00 0.00 0.00 176.54 175.20 1k2r n VAL 595 N -4.48 1.23 0.08 4.60 0.31 -0.38 -4.25 118.33 115.45 1k2r n VAL 595 Ca 0.04 0.21 -0.08 0.00 -0.01 0.00 0.00 64.34 64.49 1k2r n VAL 595 Cb 0.13 -2.18 -0.05 0.00 -0.91 0.00 0.00 33.84 30.83 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 -0.80 -0.29 -0.40 5.55 2.47 -1.56 -1.06 114.38 118.29 1k2r h ARG 596 Ca 0.00 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.70 1k2r h ARG 596 Cb 0.80 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.17 1k2r h ARG 596 CO 0.00 -0.01 0.06 -0.44 0.56 0.00 0.00 179.97 180.14 1k2r h ASP 597 N -1.00 0.56 0.10 7.04 3.32 -1.23 -1.82 116.42 123.39 1k2r h ASP 597 Ca -0.03 -0.09 -0.37 0.00 0.02 0.00 0.00 57.03 56.56 1k2r h ASP 597 Cb 0.41 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1k2r h ASP 597 CO 0.05 0.59 -2.15 -1.22 -1.72 0.00 0.00 179.24 174.79 1k2r n TYR 598 N -4.30 0.80 0.82 4.55 0.53 -0.33 -2.44 117.16 116.80 1k2r n TYR 598 Ca 0.02 0.18 0.09 0.00 -1.02 0.00 0.00 57.90 57.17 1k2r n TYR 598 Cb 0.22 -1.11 -0.11 0.00 -1.03 0.00 0.00 39.34 37.32 1k2r n TYR 598 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1k2r n ASP 600 N -1.47 2.93 -0.05 0.00 9.92 -0.68 -4.66 116.55 122.53 1k2r n ASP 600 Ca 0.03 1.11 0.02 0.00 -0.53 0.00 0.00 54.79 55.42 1k2r n ASP 600 Cb 0.30 -1.55 0.35 0.00 -0.64 0.00 0.00 41.12 39.57 1k2r n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1k2r h ASN 601 N 2.18 0.57 -0.33 -2.24 2.35 -1.93 -2.36 115.58 113.83 1k2r h ASN 601 Ca -0.49 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 1k2r h ASN 601 Cb 1.28 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1k2r h ASN 601 CO 0.60 0.47 0.00 -1.20 -1.65 0.00 0.00 177.43 175.65 1k2r n SER 602 N -4.41 3.54 0.00 5.81 7.64 -1.26 -4.61 113.62 120.33 1k2r n SER 602 Ca 0.04 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.44 1k2r n SER 602 Cb 0.10 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 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 0.37 1.28 0.23 1.43 5.12 -0.89 -4.23 116.66 119.97 1k2r n ARG 603 Ca 0.15 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.17 1k2r n ARG 603 Cb 0.75 0.00 0.50 0.00 -1.16 0.00 0.00 32.46 32.55 1k2r n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1k2r h TYR 604 N 0.00 0.00 -6.35 -1.55 -1.99 -1.63 -3.41 116.97 102.03 1k2r h TYR 604 Ca 0.00 0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.38 1k2r h TYR 604 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1k2r h TYR 604 CO 0.00 0.22 -0.85 -1.71 -0.00 0.00 0.00 178.16 175.82 1k2r n ASN 605 N -3.43 -5.72 -0.80 3.88 5.15 0.24 -4.93 115.26 109.64 1k2r n ASN 605 Ca -0.00 -0.60 0.12 0.00 -0.60 0.00 0.00 54.58 53.50 1k2r n ASN 605 Cb 0.40 -2.64 0.06 0.00 -0.53 0.00 0.00 39.78 37.08 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 -2.01 0.00 -0.07 -1.44 -5.35 -0.21 -4.70 119.36 105.58 1k2r n ILE 606 Ca -0.20 -0.42 -0.10 0.00 -0.27 0.00 0.00 62.75 61.76 1k2r n ILE 606 Cb 0.64 1.42 -0.04 0.00 -1.74 0.00 0.00 39.64 39.91 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 3.94 -1.28 -0.42 7.28 3.38 -1.89 -0.18 115.31 126.14 1k2r h LEU 607 Ca 0.00 0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.23 1k2r h LEU 607 Cb 0.92 0.55 -0.06 0.00 0.09 0.00 0.00 40.66 42.15 1k2r h LEU 607 CO 0.00 -0.38 0.05 -0.33 0.09 0.00 0.00 178.44 177.87 1k2r h GLU 608 N -0.37 0.16 -0.37 1.13 5.08 -1.98 0.83 114.58 119.05 1k2r h GLU 608 Ca 0.12 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1k2r h GLU 608 Cb 0.59 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1k2r h GLU 608 CO -0.49 0.11 0.13 1.49 -1.00 0.00 0.00 179.01 179.25 1k2r h GLU 609 N 0.16 0.57 -0.50 2.33 4.81 -1.80 0.56 114.58 120.72 1k2r h GLU 609 Ca 0.21 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1k2r h GLU 609 Cb 0.28 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1k2r h GLU 609 CO -0.31 0.57 0.03 0.28 -0.73 0.00 0.00 179.01 178.85 1k2r h VAL 610 N 0.45 1.24 0.74 0.32 2.07 -0.54 -2.20 116.25 118.33 1k2r h VAL 610 Ca 0.12 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1k2r h VAL 610 Cb 0.23 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1k2r h VAL 610 CO -0.01 0.34 -0.36 0.00 0.02 0.00 0.00 177.57 177.57 1k2r h ALA 611 N 1.27 -1.00 -0.36 1.67 0.00 0.12 -2.63 119.26 118.33 1k2r h ALA 611 Ca 0.15 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1k2r h ALA 611 Cb 0.42 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1k2r h ALA 611 CO 0.01 -0.99 -0.44 0.87 0.00 0.00 0.00 179.25 178.70 1k2r h LYS 612 N -1.14 -0.28 0.00 0.00 1.57 0.23 0.21 116.57 117.16 1k2r h LYS 612 Ca -0.10 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1k2r h LYS 612 Cb 0.79 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1k2r h LYS 612 CO 0.17 -0.18 0.31 0.87 -0.57 0.00 0.00 179.45 180.05 1k2r h LYS 613 N -0.29 0.00 -0.00 3.15 1.57 -1.44 1.31 116.57 120.87 1k2r h LYS 613 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1k2r h LYS 613 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1k2r h LYS 613 CO -0.49 0.00 -0.43 -1.33 -0.57 0.00 0.00 179.45 176.62 1k2r n MET 614 N -2.80 0.35 -3.29 3.15 2.81 0.65 -4.98 117.12 113.01 1k2r n MET 614 Ca -0.02 -0.22 -0.08 0.00 -1.81 0.00 0.00 57.70 55.58 1k2r n MET 614 Cb 0.36 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.13 -6.87 -4.61 7.83 2.03 0.45 -5.01 116.55 109.24 1k2r n ASP 615 Ca 0.08 -0.36 -0.29 0.00 0.52 0.00 0.00 54.79 54.74 1k2r n ASP 615 Cb 0.34 -4.17 -0.09 0.00 -0.72 0.00 0.00 41.12 36.48 1k2r n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1k2r s LEU 616 N -4.33 3.15 -0.56 -2.67 1.43 -1.22 -5.05 118.68 109.43 1k2r s LEU 616 Ca 0.01 -0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 52.48 1k2r s LEU 616 Cb -0.00 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1k2r s LEU 616 CO 0.80 0.16 1.78 -0.62 0.23 0.00 0.00 176.35 178.70 1k2r s ASP 617 N -2.35 5.51 -0.05 2.29 3.68 -1.26 -4.78 116.67 119.71 1k2r s ASP 617 Ca 0.23 0.49 0.21 0.00 2.13 0.00 0.00 52.55 55.61 1k2r s ASP 617 Cb -0.11 -2.53 0.69 0.00 -1.45 0.00 0.00 42.92 39.52 1k2r s ASP 617 CO 0.15 -2.16 1.59 0.23 0.13 0.00 0.00 175.17 175.11 1k2r n MET 618 N 8.98 3.20 0.16 4.34 2.81 -1.26 -4.36 117.12 130.99 1k2r n MET 618 Ca 0.19 -2.78 0.01 0.00 -1.81 0.00 0.00 57.70 53.31 1k2r n MET 618 Cb 0.51 -1.72 0.26 0.00 -0.71 0.00 0.00 33.22 31.55 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 4.25 0.00 -3.08 0.03 3.08 -2.04 -3.43 114.38 113.19 1k2r h ARG 619 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1k2r h ARG 619 Cb 1.21 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.94 1k2r h ARG 619 CO 0.11 0.50 -0.54 -1.59 -1.07 0.00 0.00 179.97 177.37 1k2r s LYS 620 N -3.86 0.14 0.38 0.04 -2.85 -1.26 -5.04 119.74 107.29 1k2r s LYS 620 Ca -0.02 0.52 0.17 0.00 -1.00 0.00 0.00 55.97 55.64 1k2r s LYS 620 Cb 0.13 -0.15 1.08 0.00 -2.06 0.00 0.00 37.83 36.84 1k2r s LYS 620 CO 0.74 -0.20 1.74 1.79 0.10 0.00 0.00 175.35 179.52 1k2r h THR 621 N 6.05 0.48 0.00 3.79 1.35 -1.90 -0.89 112.91 121.80 1k2r h THR 621 Ca -0.34 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1k2r h THR 621 Cb 1.14 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1k2r h THR 621 CO 0.33 0.07 0.04 -1.54 -0.25 0.00 0.00 175.52 174.17 1k2r n SER 622 N -4.72 0.00 0.01 5.36 3.41 -1.26 0.11 113.62 116.54 1k2r n SER 622 Ca 0.27 0.18 0.12 0.00 -0.26 0.00 0.00 58.87 59.18 1k2r n SER 622 Cb 0.90 -0.18 0.29 0.00 -0.26 0.00 0.00 64.21 64.96 1k2r n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k2r n SER 623 N -1.13 0.47 -3.70 4.04 3.41 -0.34 -4.94 113.62 111.43 1k2r n SER 623 Ca 0.00 -0.06 -0.25 0.00 -0.26 0.00 0.00 58.87 58.30 1k2r n SER 623 Cb 0.04 0.11 0.06 0.00 -0.26 0.00 0.00 64.21 64.16 1k2r n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k2r n LEU 624 N -1.63 -3.16 -0.19 1.04 4.77 0.30 -4.89 117.00 113.24 1k2r n LEU 624 Ca 0.05 -0.65 -0.10 0.00 -0.03 0.00 0.00 56.01 55.28 1k2r n LEU 624 Cb 0.36 -2.86 0.01 0.00 -2.33 0.00 0.00 43.42 38.60 1k2r n LEU 624 CO 0.34 0.55 0.80 4.11 -1.33 0.00 0.00 177.39 181.86 1k2r h TRP 625 N -2.36 1.06 -0.14 -1.77 5.08 -1.81 -1.25 115.95 114.75 1k2r h TRP 625 Ca -0.58 -0.19 0.04 0.00 1.08 0.00 0.00 58.89 59.24 1k2r h TRP 625 Cb 1.37 -0.27 -0.04 0.00 -3.00 0.00 0.00 29.16 27.22 1k2r h TRP 625 CO 0.51 0.97 -0.08 0.87 -1.28 0.00 0.00 178.44 179.43 1k2r h LYS 626 N 0.85 -0.07 -0.84 0.12 1.57 -1.90 0.12 116.57 116.42 1k2r h LYS 626 Ca 0.15 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1k2r h LYS 626 Cb 0.56 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1k2r h LYS 626 CO 0.03 -0.05 0.55 -0.44 -0.57 0.00 0.00 179.45 178.97 1k2r h ASP 627 N -0.07 0.93 0.10 0.86 5.19 -1.91 -0.85 116.42 120.66 1k2r h ASP 627 Ca 0.08 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1k2r h ASP 627 Cb 0.20 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1k2r h ASP 627 CO -0.19 0.65 -0.05 1.56 -3.12 0.00 0.00 179.24 178.10 1k2r h GLN 628 N 1.09 -0.13 -0.36 3.56 4.20 -0.37 -2.76 115.11 120.34 1k2r h GLN 628 Ca 0.32 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.07 1k2r h GLN 628 Cb -0.06 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1k2r h GLN 628 CO -0.09 -0.03 0.16 0.00 -0.67 0.00 0.00 178.83 178.20 1k2r h ALA 629 N 0.70 0.44 -0.78 3.87 0.00 -0.53 -2.89 119.26 120.07 1k2r h ALA 629 Ca -0.01 0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.09 1k2r h ALA 629 Cb 0.16 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.81 1k2r h ALA 629 CO 0.02 -0.22 0.27 1.25 0.00 0.00 0.00 179.25 180.58 1k2r h LEU 630 N 0.34 0.17 -0.03 0.00 5.85 -0.99 -0.85 115.31 119.80 1k2r h LEU 630 Ca 0.16 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1k2r h LEU 630 Cb 0.09 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1k2r h LEU 630 CO -0.13 0.02 0.01 0.58 -0.34 0.00 0.00 178.44 178.58 1k2r h VAL 631 N 0.36 1.16 -0.60 1.05 2.07 -1.28 -1.84 116.25 117.17 1k2r h VAL 631 Ca 0.45 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 67.56 1k2r h VAL 631 Cb 0.76 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 1k2r h VAL 631 CO -0.48 0.13 0.27 -0.33 0.02 0.00 0.00 177.57 177.18 1k2r h GLU 632 N -0.14 0.48 -0.98 1.57 4.39 -1.24 0.44 114.58 119.09 1k2r h GLU 632 Ca 0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1k2r h GLU 632 Cb 0.20 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1k2r h GLU 632 CO -0.00 0.31 0.63 0.82 -1.16 0.00 0.00 179.01 179.62 1k2r h ILE 633 N 0.49 1.26 0.00 3.13 2.04 -1.08 0.95 117.51 124.30 1k2r h ILE 633 Ca 0.29 -0.50 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 1k2r h ILE 633 Cb 0.29 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 1k2r h ILE 633 CO -0.25 0.26 -0.55 0.78 0.00 0.00 0.00 178.15 178.39 1k2r h ASN 634 N 1.34 0.00 -0.12 1.72 4.21 -0.39 -1.83 115.58 120.51 1k2r h ASN 634 Ca 0.36 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.87 1k2r h ASN 634 Cb -0.12 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.07 1k2r h ASN 634 CO -0.07 0.55 0.07 0.40 -1.29 0.00 0.00 177.43 177.09 1k2r h ILE 635 N 0.00 1.06 -0.77 2.81 1.08 0.11 -2.63 117.51 119.16 1k2r h ILE 635 Ca -0.01 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 64.28 1k2r h ILE 635 Cb 1.18 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 1k2r h ILE 635 CO 0.07 0.05 0.28 0.00 -0.69 0.00 0.00 178.15 177.86 1k2r h ALA 636 N 1.01 1.01 -0.10 1.87 0.00 -0.58 -1.35 119.26 121.11 1k2r h ALA 636 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1k2r h ALA 636 Cb 0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1k2r h ALA 636 CO -0.01 0.66 0.04 0.28 0.00 0.00 0.00 179.25 180.22 1k2r h VAL 637 N 1.14 1.17 0.05 0.00 2.07 -1.25 -1.69 116.25 117.74 1k2r h VAL 637 Ca 0.25 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1k2r h VAL 637 Cb 0.26 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1k2r h VAL 637 CO -0.02 0.15 -0.03 -0.07 0.02 0.00 0.00 177.57 177.63 1k2r h LEU 638 N -0.01 -0.06 -0.38 2.57 3.38 -1.38 -2.68 115.31 116.74 1k2r h LEU 638 Ca 0.03 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1k2r h LEU 638 Cb 0.20 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1k2r h LEU 638 CO -0.00 -0.02 0.00 0.22 0.09 0.00 0.00 178.44 178.73 1k2r h TYR 639 N -0.10 -0.01 0.12 1.13 3.20 -1.21 -1.91 116.97 118.18 1k2r h TYR 639 Ca -0.01 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1k2r h TYR 639 Cb 0.08 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1k2r h TYR 639 CO -0.07 -0.07 -0.13 0.77 -1.64 0.00 0.00 178.16 177.02 1k2r h SER 640 N 0.11 -0.35 -0.78 -2.11 0.02 -1.22 -0.86 113.55 108.36 1k2r h SER 640 Ca 0.19 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.24 1k2r h SER 640 Cb 0.26 0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 1k2r h SER 640 CO -0.31 -0.20 0.47 -0.26 -1.14 0.00 0.00 176.83 175.39 1k2r h PHE 641 N -0.28 0.86 -0.29 3.45 -1.00 -1.25 -0.48 116.94 117.95 1k2r h PHE 641 Ca 0.01 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.74 1k2r h PHE 641 Cb 0.28 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 1k2r h PHE 641 CO -0.13 0.42 -0.14 1.96 -1.61 0.00 0.00 178.31 178.81 1k2r h GLN 642 N 0.85 0.51 -0.10 1.51 4.20 -1.10 0.29 115.11 121.26 1k2r h GLN 642 Ca 0.35 -0.15 -0.15 0.00 0.06 0.00 0.00 58.65 58.75 1k2r h GLN 642 Cb 0.20 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1k2r h GLN 642 CO -0.18 0.64 -0.60 0.77 -0.67 0.00 0.00 178.83 178.78 1k2r h SER 643 N 0.46 0.38 -0.51 1.46 0.02 -0.02 -2.75 113.55 112.59 1k2r h SER 643 Ca 0.08 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1k2r h SER 643 Cb 0.52 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1k2r h SER 643 CO 0.03 0.89 0.00 0.47 -1.14 0.00 0.00 176.83 177.08 1k2r n ASP 644 N -3.89 3.50 -3.80 3.07 8.00 -0.30 -4.95 116.55 118.18 1k2r n ASP 644 Ca -0.03 -2.23 -0.33 0.00 0.71 0.00 0.00 54.79 52.91 1k2r n ASP 644 Cb 0.62 -0.46 0.02 0.00 -0.02 0.00 0.00 41.12 41.28 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 0.90 -0.96 -4.28 -1.24 5.02 -0.68 -4.96 118.16 111.96 1k2r n LYS 645 Ca 0.19 0.47 -0.27 0.00 -2.02 0.00 0.00 58.31 56.68 1k2r n LYS 645 Cb 0.63 -3.23 -0.17 0.00 -0.02 0.00 0.00 35.03 32.25 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 -3.33 1.31 0.40 -0.18 1.01 0.00 -4.35 120.40 115.26 1k2r s VAL 646 Ca 0.33 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 1k2r s VAL 646 Cb -0.15 -1.23 -0.12 0.00 0.00 0.00 0.00 36.38 34.88 1k2r s VAL 646 CO 0.90 0.41 0.85 0.41 0.00 0.00 0.00 175.10 177.67 1k2r n THR 647 N 4.39 2.19 -3.62 3.92 -1.04 0.13 -4.40 114.28 115.84 1k2r n THR 647 Ca -0.18 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.29 1k2r n THR 647 Cb 0.51 -0.91 -0.04 0.00 -1.82 0.00 0.00 70.33 68.08 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 -1.30 0.00 0.00 12.58 2.07 -1.26 -4.56 121.20 128.73 1k2r s ILE 648 Ca 0.63 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.90 1k2r s ILE 648 Cb -0.60 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 40.98 1k2r s ILE 648 CO 0.57 0.00 -0.10 0.54 -1.91 0.00 0.00 174.94 174.04 1k2r s VAL 649 N -1.39 0.78 0.54 4.00 0.11 -0.56 -4.99 120.40 118.90 1k2r s VAL 649 Ca 0.08 -0.54 -0.09 0.00 -2.93 0.00 0.00 61.98 58.50 1k2r s VAL 649 Cb -0.01 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1k2r s VAL 649 CO -0.05 0.14 0.92 1.51 -3.33 0.00 0.00 175.10 174.28 1k2r s ASP 650 N -0.45 6.30 0.59 3.54 -4.77 -1.26 -0.25 116.67 120.37 1k2r s ASP 650 Ca 0.02 1.24 0.32 0.00 -3.30 0.00 0.00 52.55 50.83 1k2r s ASP 650 Cb -0.05 -2.38 1.85 0.00 -1.09 0.00 0.00 42.92 41.25 1k2r s ASP 650 CO -0.00 -0.70 2.23 1.12 0.70 0.00 0.00 175.17 178.52 1k2r h HIS 651 N 0.11 0.00 0.29 2.11 2.07 -1.97 -0.81 115.15 116.94 1k2r h HIS 651 Ca -0.46 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.05 1k2r h HIS 651 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 1k2r h HIS 651 CO 0.63 0.03 -0.14 0.45 -3.07 0.00 0.00 177.93 175.82 1k2r h HIS 652 N 0.00 -0.36 -0.45 6.12 3.86 -1.95 -2.45 115.15 119.91 1k2r h HIS 652 Ca -0.00 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1k2r h HIS 652 Cb 0.09 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 1k2r h HIS 652 CO 0.00 -0.05 0.25 0.77 0.86 0.00 0.00 177.93 179.75 1k2r h SER 653 N -0.99 0.38 -0.88 2.45 0.02 -1.91 -1.73 113.55 110.89 1k2r h SER 653 Ca -0.04 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1k2r h SER 653 Cb 0.47 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 1k2r h SER 653 CO 0.07 0.27 0.58 0.00 -1.14 0.00 0.00 176.83 176.61 1k2r h ALA 654 N 1.22 1.43 0.03 3.77 0.00 -1.24 -0.55 119.26 123.92 1k2r h ALA 654 Ca 0.19 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 1k2r h ALA 654 Cb 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1k2r h ALA 654 CO -0.11 0.49 -1.09 1.79 0.00 0.00 0.00 179.25 180.33 1k2r h THR 655 N 1.12 1.63 -0.26 0.00 1.35 -1.17 -2.22 112.91 113.36 1k2r h THR 655 Ca 0.35 -3.31 -0.07 0.00 -0.55 0.00 0.00 66.41 62.82 1k2r h THR 655 Cb -0.01 2.86 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 1k2r h THR 655 CO -0.10 0.94 -0.11 -0.08 -0.25 0.00 0.00 175.52 175.92 1k2r h GLU 656 N 0.02 0.53 -0.75 4.72 4.81 -1.00 -2.00 114.58 120.91 1k2r h GLU 656 Ca -0.05 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1k2r h GLU 656 Cb 1.83 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 31.16 1k2r h GLU 656 CO 0.15 0.78 0.43 0.77 -0.73 0.00 0.00 179.01 180.40 1k2r h SER 657 N 0.27 0.93 -0.29 1.04 0.02 -1.15 -2.24 113.55 112.12 1k2r h SER 657 Ca 0.06 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1k2r h SER 657 Cb 0.61 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1k2r h SER 657 CO 0.04 0.75 0.12 0.15 -1.14 0.00 0.00 176.83 176.74 1k2r h PHE 658 N 1.04 0.50 -0.32 3.45 3.57 -1.20 0.69 116.94 124.67 1k2r h PHE 658 Ca 0.27 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 1k2r h PHE 658 Cb 0.01 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1k2r h PHE 658 CO -0.00 0.42 0.05 0.82 -2.23 0.00 0.00 178.31 177.36 1k2r h ILE 659 N 0.50 1.24 -0.56 1.41 1.08 -0.77 0.37 117.51 120.78 1k2r h ILE 659 Ca 0.12 -0.83 -0.06 0.00 -0.39 0.00 0.00 64.86 63.70 1k2r h ILE 659 Cb 0.14 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1k2r h ILE 659 CO -0.01 0.28 0.12 0.11 -0.69 0.00 0.00 178.15 177.95 1k2r h LYS 660 N 0.36 0.87 -0.13 2.37 1.57 -1.08 -0.20 116.57 120.33 1k2r h LYS 660 Ca 0.10 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1k2r h LYS 660 Cb 0.36 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1k2r h LYS 660 CO 0.01 0.79 0.02 1.25 -0.57 0.00 0.00 179.45 180.95 1k2r h HIS 661 N 0.83 0.24 -0.57 -1.35 2.76 -0.52 -1.61 115.15 114.93 1k2r h HIS 661 Ca 0.18 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.34 1k2r h HIS 661 Cb 0.33 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.19 1k2r h HIS 661 CO 0.02 0.41 0.34 1.98 -1.30 0.00 0.00 177.93 179.38 1k2r h MET 662 N -0.01 0.65 -0.37 5.26 1.85 0.11 0.53 114.93 122.94 1k2r h MET 662 Ca 0.04 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 1k2r h MET 662 Cb 0.31 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.17 1k2r h MET 662 CO 0.00 0.43 0.14 0.93 -0.40 0.00 0.00 176.91 178.01 1k2r h GLU 663 N 0.67 0.57 -0.69 0.39 5.08 -0.98 -1.59 114.58 118.03 1k2r h GLU 663 Ca 0.23 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1k2r h GLU 663 Cb 0.04 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1k2r h GLU 663 CO -0.11 0.56 0.46 -0.97 -1.00 0.00 0.00 179.01 177.95 1k2r h ASN 664 N 0.46 0.79 -0.01 1.42 -0.73 -0.86 -1.80 115.58 114.83 1k2r h ASN 664 Ca 0.12 -0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.17 1k2r h ASN 664 Cb 0.22 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 1k2r h ASN 664 CO -0.01 0.57 -0.32 -0.33 -0.37 0.00 0.00 177.43 176.97 1k2r h GLU 665 N 0.93 0.47 -0.63 6.67 4.39 -0.40 -1.36 114.58 124.65 1k2r h GLU 665 Ca 0.25 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 1k2r h GLU 665 Cb -0.10 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1k2r h GLU 665 CO -0.06 0.73 0.02 1.88 -1.16 0.00 0.00 179.01 180.43 1k2r h TYR 666 N 0.41 1.18 -0.02 4.33 -1.99 -0.47 0.22 116.97 120.63 1k2r h TYR 666 Ca 0.05 -0.20 -0.15 0.00 2.00 0.00 0.00 58.73 60.44 1k2r h TYR 666 Cb 0.76 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 39.16 1k2r h TYR 666 CO 0.02 1.03 -0.68 0.07 -0.00 0.00 0.00 178.16 178.60 1k2r h ARG 667 N 1.00 0.08 0.00 4.88 0.11 -1.12 -0.74 114.38 118.59 1k2r h ARG 667 Ca 0.18 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.19 1k2r h ARG 667 Cb 0.54 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.63 1k2r h ARG 667 CO 0.03 0.73 -1.84 0.00 0.10 0.00 0.00 179.97 178.99 1k2r n ARG 669 N -2.15 0.15 -0.55 0.00 0.63 0.72 -5.02 116.66 110.44 1k2r n ARG 669 Ca -0.04 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1k2r n ARG 669 Cb 0.49 -1.08 0.00 0.00 0.45 0.00 0.00 32.46 32.32 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 2.31 0.69 0.00 5.14 0.00 -0.28 -4.52 105.19 108.53 1k2r n GLY 670 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.55 0.04 3.13 -0.02 0.00 -1.18 0.06 105.19 104.66 1k2r n GLY 671 Ca 0.00 -1.24 0.04 0.00 0.00 0.00 0.00 46.02 44.82 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 2.60 4.12 -0.07 0.00 0.04 -1.26 -4.65 135.00 135.78 1k2r s PRO 673 Ca 0.16 2.62 -0.07 0.00 0.04 0.00 0.00 61.00 63.74 1k2r s PRO 673 Cb -0.06 -3.06 0.02 0.00 0.04 0.00 0.00 34.50 31.44 1k2r s PRO 673 CO -0.21 -0.74 0.20 0.00 0.04 0.00 0.00 177.00 176.29 1k2r s ALA 674 N 0.97 -0.49 -0.48 8.56 0.00 0.07 -4.14 121.76 126.26 1k2r s ALA 674 Ca 0.73 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 53.07 1k2r s ALA 674 Cb -0.50 -0.31 0.08 0.00 0.00 0.00 0.00 23.12 22.39 1k2r s ALA 674 CO 0.35 -0.10 0.41 0.34 0.00 0.00 0.00 175.76 176.76 1k2r s ASP 675 N 0.05 6.15 0.23 0.00 -1.08 0.15 -3.54 116.67 118.63 1k2r s ASP 675 Ca -0.01 -1.40 -0.07 0.00 -0.52 0.00 0.00 52.55 50.56 1k2r s ASP 675 Cb -0.02 -2.19 0.31 0.00 -1.46 0.00 0.00 42.92 39.57 1k2r s ASP 675 CO 0.00 -0.68 1.82 -0.25 0.52 0.00 0.00 175.17 176.59 1k2r h TRP 676 N 8.77 0.84 -0.91 -5.34 7.01 -1.93 0.36 115.95 124.75 1k2r h TRP 676 Ca -0.29 0.03 0.09 0.00 2.11 0.00 0.00 58.89 60.83 1k2r h TRP 676 Cb 1.11 -0.26 -0.07 0.00 -2.10 0.00 0.00 29.16 27.84 1k2r h TRP 676 CO 0.65 0.40 0.59 0.28 -2.79 0.00 0.00 178.44 177.57 1k2r h VAL 677 N 0.82 0.98 0.07 2.65 2.07 -1.92 -2.38 116.25 118.54 1k2r h VAL 677 Ca 0.35 -0.32 -0.33 0.00 0.82 0.00 0.00 66.70 67.21 1k2r h VAL 677 Cb 0.22 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 1k2r h VAL 677 CO -0.19 0.17 -1.87 0.79 0.02 0.00 0.00 177.57 176.49 1k2r n TRP 678 N -4.53 1.17 -0.08 1.57 7.02 -0.72 -4.45 117.44 117.42 1k2r n TRP 678 Ca 0.15 0.31 -0.10 0.00 -1.02 0.00 0.00 57.50 56.84 1k2r n TRP 678 Cb 0.29 -1.18 -0.04 0.00 -2.42 0.00 0.00 31.31 27.97 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 0.04 1.20 -2.82 -0.99 1.08 -0.16 -3.43 117.51 112.43 1k2r h ILE 679 Ca -0.36 -0.62 -0.52 0.00 -0.39 0.00 0.00 64.86 62.96 1k2r h ILE 679 Cb 2.03 1.12 0.05 0.00 -3.07 0.00 0.00 36.82 36.95 1k2r h ILE 679 CO 0.09 0.20 0.89 -0.69 -0.69 0.00 0.00 178.15 177.95 1k2r s VAL 680 N -5.40 2.54 0.67 1.67 1.01 -0.91 -4.93 120.40 115.05 1k2r s VAL 680 Ca -0.14 0.39 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 1k2r s VAL 680 Cb 0.08 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1k2r s VAL 680 CO 0.73 0.03 1.20 -2.84 0.00 0.00 0.00 175.10 174.22 1k2r s PRO 681 N 1.10 2.52 0.00 2.72 0.02 -1.26 -4.91 135.00 135.19 1k2r s PRO 681 Ca 0.70 1.77 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1k2r s PRO 681 Cb -0.44 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.20 1k2r s PRO 681 CO 0.32 -1.54 0.54 -0.35 -0.33 0.00 0.00 177.00 175.64 1k2r n PRO 682 N -2.25 0.63 -3.52 5.54 -0.04 -1.26 -4.25 135.00 129.85 1k2r n PRO 682 Ca 0.13 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1k2r n PRO 682 Cb 0.50 -1.08 -0.05 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.73 1.09 -0.92 0.54 0.23 -1.26 -4.92 119.30 112.32 1k2r s MET 683 Ca 0.00 -0.07 0.00 0.00 -1.03 0.00 0.00 55.69 54.59 1k2r s MET 683 Cb 0.00 0.51 0.00 0.00 -1.53 0.00 0.00 34.83 33.81 1k2r s MET 683 CO 0.00 -0.39 0.00 0.43 -2.03 0.00 0.00 175.02 173.03 1k2r n SER 684 N 0.48 -3.37 -0.09 -1.18 7.64 -1.26 -4.86 113.62 110.97 1k2r n SER 684 Ca -0.18 0.24 -0.02 0.00 1.01 0.00 0.00 58.87 59.91 1k2r n SER 684 Cb 0.60 -2.93 -0.02 0.00 -1.01 0.00 0.00 64.21 60.84 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 -0.69 -1.97 0.00 0.23 0.00 -1.26 -1.32 105.19 100.18 1k2r n GLY 685 Ca -0.12 0.53 0.08 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.40 0.00 -1.59 1.61 3.41 -1.26 -2.53 113.62 109.87 1k2r n SER 686 Ca 0.00 -0.35 0.08 0.00 -0.26 0.00 0.00 58.87 58.34 1k2r n SER 686 Cb 0.06 -0.09 0.36 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.09 2.52 -5.18 -1.33 -5.35 -0.43 -4.84 119.36 103.66 1k2r n ILE 687 Ca 0.11 -1.50 -0.29 0.00 -0.27 0.00 0.00 62.75 60.80 1k2r n ILE 687 Cb 0.08 -0.21 -0.16 0.00 -1.74 0.00 0.00 39.64 37.61 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 -2.65 1.86 0.48 7.28 -4.23 -1.05 -5.02 115.64 112.31 1k2r s THR 688 Ca 0.51 -1.01 0.18 0.00 -1.18 0.00 0.00 61.69 60.19 1k2r s THR 688 Cb 0.38 -1.55 0.34 0.00 1.34 0.00 0.00 72.50 73.02 1k2r s THR 688 CO 0.15 0.53 2.01 1.55 -0.54 0.00 0.00 174.62 178.32 1k2r h PRO 689 N 5.58 0.20 -0.16 3.99 0.13 -1.87 -2.80 132.00 137.07 1k2r h PRO 689 Ca -0.41 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.76 1k2r h PRO 689 Cb 1.13 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1k2r h PRO 689 CO 0.47 0.13 0.12 -0.39 -0.23 0.00 0.00 178.00 178.11 1k2r h VAL 690 N 0.21 0.86 -0.89 1.56 -1.51 -1.90 -2.04 116.25 112.54 1k2r h VAL 690 Ca 0.22 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.69 1k2r h VAL 690 Cb 0.61 0.91 -0.04 0.00 -2.13 0.00 0.00 31.29 30.64 1k2r h VAL 690 CO -0.04 0.00 0.55 0.15 -1.23 0.00 0.00 177.57 177.00 1k2r h PHE 691 N 0.00 1.16 -0.13 5.19 3.57 -1.70 -1.89 116.94 123.13 1k2r h PHE 691 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1k2r h PHE 691 Cb 0.32 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1k2r h PHE 691 CO 0.00 0.76 0.00 0.72 -2.23 0.00 0.00 178.31 177.56 1k2r n HIS 692 N -4.42 0.17 -3.67 0.41 8.25 -0.78 -4.82 115.22 110.37 1k2r n HIS 692 Ca 0.10 -0.09 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1k2r n HIS 692 Cb 0.05 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.83 3.71 0.37 -0.41 2.00 -0.71 -1.21 119.66 121.59 1k2r s GLN 693 Ca 0.26 -0.46 -0.26 0.00 -2.00 0.00 0.00 55.36 52.91 1k2r s GLN 693 Cb 0.13 -3.50 -0.09 0.00 0.80 0.00 0.00 33.01 30.36 1k2r s GLN 693 CO 0.20 -0.23 1.09 -1.21 -0.50 0.00 0.00 175.29 174.65 1k2r s GLU 694 N 1.67 4.25 0.09 1.67 2.02 -0.95 -4.99 118.70 122.46 1k2r s GLU 694 Ca 0.06 1.65 0.03 0.00 0.02 0.00 0.00 54.97 56.73 1k2r s GLU 694 Cb -0.16 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 1k2r s GLU 694 CO 0.07 -0.10 -0.08 -1.64 0.02 0.00 0.00 175.26 173.52 1k2r s MET 695 N -2.21 0.78 -0.17 1.61 -1.94 -1.26 -4.69 119.30 111.42 1k2r s MET 695 Ca 0.55 -1.14 -0.00 0.00 -1.71 0.00 0.00 55.69 53.39 1k2r s MET 695 Cb -0.26 -0.37 0.01 0.00 2.01 0.00 0.00 34.83 36.21 1k2r s MET 695 CO 0.33 0.04 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.72 1k2r s LEU 696 N -2.48 2.40 -0.15 -0.03 1.43 -1.26 -4.95 118.68 113.64 1k2r s LEU 696 Ca 0.05 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1k2r s LEU 696 Cb -0.02 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1k2r s LEU 696 CO -0.01 0.04 0.04 0.21 0.23 0.00 0.00 176.35 176.86 1k2r s ASN 697 N 1.08 5.52 0.04 2.29 3.04 -1.23 -0.75 114.94 124.93 1k2r s ASN 697 Ca -0.00 0.10 -0.27 0.00 0.04 0.00 0.00 52.86 52.73 1k2r s ASN 697 Cb -0.14 -1.86 0.09 0.00 -1.54 0.00 0.00 41.25 37.80 1k2r s ASN 697 CO -0.05 0.23 0.83 -0.72 -3.04 0.00 0.00 177.10 174.35 1k2r s TYR 698 N -0.00 -0.38 -0.21 0.43 -0.85 -1.26 -4.94 117.35 110.13 1k2r s TYR 698 Ca 0.05 0.21 -0.09 0.00 -0.52 0.00 0.00 57.07 56.72 1k2r s TYR 698 Cb -0.12 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 1k2r s TYR 698 CO 0.01 -0.63 0.11 1.03 -1.52 0.00 0.00 175.55 174.55 1k2r s ARG 699 N -3.28 4.02 0.03 -3.49 0.52 -1.26 -4.80 118.95 110.68 1k2r s ARG 699 Ca 0.04 -0.31 0.08 0.00 -0.52 0.00 0.00 55.73 55.03 1k2r s ARG 699 Cb -0.01 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 1k2r s ARG 699 CO -0.09 0.16 -0.24 -0.51 0.02 0.00 0.00 175.30 174.64 1k2r s LEU 700 N 0.73 2.13 0.15 2.53 1.43 -1.26 -3.43 118.68 120.96 1k2r s LEU 700 Ca 0.06 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1k2r s LEU 700 Cb -0.13 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1k2r s LEU 700 CO 0.02 0.23 0.13 0.42 0.23 0.00 0.00 176.35 177.38 1k2r s THR 701 N -0.73 4.53 0.94 5.49 -4.23 -1.26 -4.26 115.64 116.12 1k2r s THR 701 Ca 0.09 -1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.50 1k2r s THR 701 Cb -0.09 -3.29 0.13 0.00 1.34 0.00 0.00 72.50 70.60 1k2r s THR 701 CO 0.01 -0.06 0.99 -2.65 -0.54 0.00 0.00 174.62 172.38 1k2r n PRO 702 N -0.18 -0.54 -3.58 3.99 -0.02 -1.26 -5.00 135.00 128.41 1k2r n PRO 702 Ca -0.08 -0.10 -0.11 0.00 -2.02 0.00 0.00 63.50 61.19 1k2r n PRO 702 Cb 0.54 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 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 -2.50 -0.33 -0.21 2.55 1.04 -0.78 -4.06 113.70 109.41 1k2r s SER 703 Ca 0.65 -0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.80 1k2r s SER 703 Cb -0.23 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1k2r s SER 703 CO 0.60 -0.86 0.11 -0.36 0.98 0.00 0.00 173.24 173.71 1k2r s PHE 704 N -3.63 3.30 0.31 5.02 0.40 -1.26 -0.51 117.98 121.61 1k2r s PHE 704 Ca 0.02 0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.56 1k2r s PHE 704 Cb 0.01 -2.17 -0.06 0.00 0.51 0.00 0.00 43.02 41.31 1k2r s PHE 704 CO -0.11 0.12 -0.06 -1.21 0.70 0.00 0.00 175.22 174.67 1k2r s GLU 705 N 0.66 1.68 0.59 0.44 0.41 0.16 -4.92 118.70 117.72 1k2r s GLU 705 Ca 0.06 -1.87 -0.07 0.00 -0.41 0.00 0.00 54.97 52.68 1k2r s GLU 705 Cb -0.13 -1.35 -0.00 0.00 -1.78 0.00 0.00 34.13 30.87 1k2r s GLU 705 CO 0.01 0.05 0.92 0.71 -0.49 0.00 0.00 175.26 176.46 1k2r s TYR 706 N -2.87 3.36 -0.02 1.61 4.12 -1.26 -0.51 117.35 121.77 1k2r s TYR 706 Ca 0.31 0.79 -0.19 0.00 0.02 0.00 0.00 57.07 58.01 1k2r s TYR 706 Cb 0.04 -2.70 0.03 0.00 -1.52 0.00 0.00 41.96 37.82 1k2r s TYR 706 CO 0.14 -0.76 0.40 1.14 0.02 0.00 0.00 175.55 176.50 1k2r s GLN 707 N -5.01 0.78 0.55 -0.62 -2.07 -1.26 -4.69 119.66 107.34 1k2r s GLN 707 Ca 0.53 -0.10 -0.19 0.00 -1.82 0.00 0.00 55.36 53.78 1k2r s GLN 707 Cb -0.11 0.35 -0.08 0.00 -1.09 0.00 0.00 33.01 32.09 1k2r s GLN 707 CO 0.47 -0.23 0.73 -2.30 -1.32 0.00 0.00 175.29 172.65 1k2r n PRO 708 N 1.13 0.74 -1.91 9.60 -0.02 -1.26 -4.85 135.00 138.43 1k2r n PRO 708 Ca -0.21 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 1k2r n PRO 708 Cb 0.56 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 1k2r n PRO 708 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1k2r s ASP 709 N -1.13 6.56 0.45 2.55 1.01 -1.26 -4.87 116.67 119.97 1k2r s ASP 709 Ca 0.70 2.67 0.21 0.00 0.71 0.00 0.00 52.55 56.85 1k2r s ASP 709 Cb -0.46 -2.60 1.20 0.00 1.01 0.00 0.00 42.92 42.07 1k2r s ASP 709 CO 0.52 -0.83 1.86 1.55 0.21 0.00 0.00 175.17 178.48 1k2r h PRO 710 N 6.50 0.28 0.00 8.23 0.13 -1.92 -0.59 132.00 144.63 1k2r h PRO 710 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1k2r h PRO 710 Cb 1.21 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1k2r h PRO 710 CO 0.90 0.18 0.00 -2.67 -0.23 0.00 0.00 178.00 176.18 1k2r n TRP 711 N -4.45 0.41 1.05 1.56 2.14 -1.26 -0.84 117.44 116.04 1k2r n TRP 711 Ca 0.19 0.16 0.12 0.00 2.07 0.00 0.00 57.50 60.04 1k2r n TRP 711 Cb 0.77 -0.76 0.10 0.00 -0.81 0.00 0.00 31.31 30.62 1k2r n TRP 711 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1k2r n ASN 712 N -1.87 2.44 0.00 -0.67 5.03 -0.23 -4.51 115.26 115.44 1k2r n ASN 712 Ca 0.03 -1.73 0.00 0.00 0.87 0.00 0.00 54.58 53.75 1k2r n ASN 712 Cb 0.22 0.19 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 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 0.65 0.00 -1.77 3.41 -2.24 -1.00 -5.04 114.28 108.29 1k2r n THR 713 Ca 0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 1k2r n THR 713 Cb 0.52 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.07 2.58 -0.58 4.78 5.04 -0.02 -4.95 115.29 121.07 1k2r s HIS 714 Ca 0.00 0.24 -0.23 0.00 -1.54 0.00 0.00 55.06 53.53 1k2r s HIS 714 Cb 0.00 -4.11 0.05 0.00 0.04 0.00 0.00 32.58 28.56 1k2r s HIS 714 CO 0.00 -4.36 0.90 0.08 -2.34 0.00 0.00 174.74 169.02 1k2r s VAL 715 N 1.93 4.44 0.64 0.89 1.01 -1.26 -5.01 120.40 123.04 1k2r s VAL 715 Ca 0.76 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.54 1k2r s VAL 715 Cb -0.46 -4.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.36 1k2r s VAL 715 CO 0.34 -1.17 1.21 0.26 0.00 0.00 0.00 175.10 175.73 1k2r s TRP 716 N 3.78 2.29 -1.82 5.22 0.52 -1.26 -4.90 118.94 122.76 1k2r s TRP 716 Ca 0.26 1.54 0.15 0.00 0.02 0.00 0.00 56.10 58.06 1k2r s TRP 716 Cb -0.15 -3.47 0.12 0.00 -1.15 0.00 0.00 33.47 28.82 1k2r s TRP 716 CO 0.15 -2.35 0.96 1.63 0.02 0.00 0.00 176.95 177.37