#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2t s PHE 300 N 0.00 0.60 -0.07 -0.14 0.40 -1.26 -4.78 117.98 112.73 1k2t s PHE 300 Ca 0.00 -0.67 -0.00 0.00 -0.60 0.00 0.00 56.93 55.65 1k2t s PHE 300 Cb 0.00 -0.37 0.02 0.00 0.51 0.00 0.00 43.02 43.18 1k2t s PHE 300 CO 0.00 -0.16 -0.03 -0.51 0.70 0.00 0.00 175.22 175.21 1k2t s LEU 301 N -2.05 0.99 0.07 -0.37 1.43 -0.89 -4.94 118.68 112.92 1k2t s LEU 301 Ca -0.04 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 1k2t s LEU 301 Cb -0.04 -0.55 -0.06 0.00 0.03 0.00 0.00 46.19 45.56 1k2t s LEU 301 CO -0.02 -0.12 0.52 -0.54 0.23 0.00 0.00 176.35 176.42 1k2t s LYS 302 N 1.53 4.09 -0.04 1.70 -0.14 -1.26 0.51 119.74 126.13 1k2t s LYS 302 Ca -0.01 0.61 0.04 0.00 -1.36 0.00 0.00 55.97 55.25 1k2t s LYS 302 Cb -0.13 -3.17 -0.00 0.00 -1.68 0.00 0.00 37.83 32.85 1k2t s LYS 302 CO -0.04 0.62 -0.15 0.08 -0.76 0.00 0.00 175.35 175.10 1k2t s VAL 303 N -1.17 1.30 0.06 3.17 1.01 0.99 -4.95 120.40 120.80 1k2t s VAL 303 Ca 0.29 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1k2t s VAL 303 Cb -0.18 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1k2t s VAL 303 CO 0.18 0.38 -0.23 -0.75 0.00 0.00 0.00 175.10 174.68 1k2t s LYS 304 N 0.08 1.46 -0.28 2.72 2.20 -1.26 0.32 119.74 124.97 1k2t s LYS 304 Ca -0.04 -1.06 -0.07 0.00 -0.36 0.00 0.00 55.97 54.44 1k2t s LYS 304 Cb -0.11 -1.65 -0.00 0.00 -1.51 0.00 0.00 37.83 34.56 1k2t s LYS 304 CO 0.02 0.41 0.07 1.21 -0.36 0.00 0.00 175.35 176.70 1k2t s ASN 305 N -1.40 5.05 -0.00 1.43 3.84 -0.33 -1.46 114.94 122.07 1k2t s ASN 305 Ca 0.09 -0.57 0.01 0.00 0.21 0.00 0.00 52.86 52.60 1k2t s ASN 305 Cb -0.09 -1.88 0.03 0.00 -0.55 0.00 0.00 41.25 38.76 1k2t s ASN 305 CO 0.03 -0.14 0.79 0.79 -2.79 0.00 0.00 177.10 175.78 1k2t n TRP 306 N 4.87 0.05 0.11 0.43 7.02 -0.44 0.14 117.44 129.62 1k2t n TRP 306 Ca -0.15 -0.02 0.02 0.00 -1.02 0.00 0.00 57.50 56.33 1k2t n TRP 306 Cb 0.49 -0.06 -0.03 0.00 -2.42 0.00 0.00 31.31 29.29 1k2t n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1k2t n GLU 307 N -0.21 2.73 0.00 -0.99 2.13 -1.26 -4.67 120.64 118.36 1k2t n GLU 307 Ca 0.01 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1k2t n GLU 307 Cb 0.15 -0.93 0.00 0.00 0.27 0.00 0.00 31.44 30.93 1k2t n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1k2t n THR 308 N -1.40 0.00 -0.93 6.31 -2.24 -1.18 -5.00 114.28 109.84 1k2t n THR 308 Ca -0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1k2t n THR 308 Cb 0.10 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1k2t n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k2t n ASP 309 N -0.54 -2.90 -4.70 3.42 8.00 0.12 -4.96 116.55 114.98 1k2t n ASP 309 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1k2t n ASP 309 Cb 0.00 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 39.55 1k2t n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k2t s VAL 310 N -1.96 2.75 -0.12 2.53 1.01 -1.21 -4.73 120.40 118.67 1k2t s VAL 310 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1k2t s VAL 310 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1k2t s VAL 310 CO 0.00 0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.27 1k2t s VAL 311 N 2.11 2.86 0.08 2.92 1.01 -1.26 -1.18 120.40 126.94 1k2t s VAL 311 Ca 0.74 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1k2t s VAL 311 Cb -0.43 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1k2t s VAL 311 CO 0.33 0.53 -0.15 -0.76 0.00 0.00 0.00 175.10 175.05 1k2t s LEU 312 N 0.33 2.80 -0.17 3.92 1.43 0.15 -4.91 118.68 122.23 1k2t s LEU 312 Ca -0.12 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.50 1k2t s LEU 312 Cb -0.16 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1k2t s LEU 312 CO 0.06 0.21 -0.00 -0.89 0.23 0.00 0.00 176.35 175.97 1k2t s THR 313 N -1.07 4.21 -0.17 5.49 2.01 -1.26 -0.01 115.64 124.84 1k2t s THR 313 Ca 0.18 -0.24 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 1k2t s THR 313 Cb -0.11 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 1k2t s THR 313 CO 0.09 0.48 -0.04 -0.62 -0.69 0.00 0.00 174.62 173.84 1k2t s ASP 314 N 0.41 4.72 0.00 3.53 -1.08 0.18 -4.62 116.67 119.82 1k2t s ASP 314 Ca -0.01 -0.17 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 1k2t s ASP 314 Cb -0.14 -1.78 0.00 0.00 -1.46 0.00 0.00 42.92 39.55 1k2t s ASP 314 CO 0.02 0.14 0.00 0.35 0.52 0.00 0.00 175.17 176.20 1k2t n THR 315 N 3.75 0.00 -0.21 1.71 -2.24 0.74 -2.10 114.28 115.94 1k2t n THR 315 Ca -0.17 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 61.86 1k2t n THR 315 Cb 0.52 -0.33 0.65 0.00 -2.10 0.00 0.00 70.33 69.06 1k2t n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1k2t h LEU 316 N 0.00 0.15 -1.07 3.22 6.46 -1.24 0.15 115.31 122.99 1k2t h LEU 316 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1k2t h LEU 316 Cb 0.52 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1k2t h LEU 316 CO 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 178.44 177.87 1k2t n HIS 317 N -4.37 0.64 0.30 1.25 1.44 -1.26 -1.27 115.22 111.95 1k2t n HIS 317 Ca 0.19 0.31 0.17 0.00 -2.01 0.00 0.00 57.72 56.38 1k2t n HIS 317 Cb 0.87 -1.00 0.71 0.00 0.12 0.00 0.00 29.99 30.69 1k2t n HIS 317 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1k2t h LEU 318 N 0.00 0.00 -2.03 2.39 3.38 -1.32 -1.94 115.31 115.79 1k2t h LEU 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k2t h LEU 318 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1k2t h LEU 318 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1k2t n LYS 319 N -2.97 2.30 -2.43 1.13 5.02 -0.40 -4.92 118.16 115.90 1k2t n LYS 319 Ca 0.00 -2.00 -0.41 0.00 -2.02 0.00 0.00 58.31 53.89 1k2t n LYS 319 Cb 0.27 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 1k2t n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k2t s SER 320 N -1.26 7.19 0.02 4.39 0.15 -0.73 -4.91 113.70 118.55 1k2t s SER 320 Ca 0.38 2.26 0.00 0.00 0.70 0.00 0.00 55.95 59.29 1k2t s SER 320 Cb 0.21 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1k2t s SER 320 CO 0.28 -0.24 0.00 0.41 1.20 0.00 0.00 173.24 174.89 1k2t n THR 321 N 1.70 0.21 -1.27 6.45 -1.04 -1.23 -5.03 114.28 114.07 1k2t n THR 321 Ca 0.01 0.07 -0.32 0.00 -2.04 0.00 0.00 64.05 61.77 1k2t n THR 321 Cb 0.45 -1.46 0.10 0.00 -1.82 0.00 0.00 70.33 67.59 1k2t n THR 321 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1k2t s LEU 322 N -6.14 3.11 0.80 -4.42 1.43 -1.26 -5.02 118.68 107.18 1k2t s LEU 322 Ca 0.00 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 1k2t s LEU 322 Cb 0.00 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.75 1k2t s LEU 322 CO 0.00 -2.20 1.09 -1.61 0.23 0.00 0.00 176.35 173.86 1k2t s GLU 323 N -4.55 2.05 -0.00 1.70 2.02 -1.26 -4.57 118.70 114.09 1k2t s GLU 323 Ca 0.65 0.78 0.09 0.00 0.02 0.00 0.00 54.97 56.51 1k2t s GLU 323 Cb -0.20 -1.90 -0.11 0.00 0.10 0.00 0.00 34.13 32.01 1k2t s GLU 323 CO 0.52 -1.68 0.32 0.25 0.02 0.00 0.00 175.26 174.70 1k2t n THR 324 N -3.49 0.00 0.00 3.63 -2.24 -1.26 -4.79 114.28 106.13 1k2t n THR 324 Ca 0.07 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1k2t n THR 324 Cb 0.55 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1k2t n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k2t n GLY 325 N 1.43 2.36 3.90 3.38 0.00 -1.26 -4.94 105.19 110.06 1k2t n GLY 325 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1k2t n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2t n THR 327 N -0.59 0.00 0.80 0.00 -2.24 -0.22 -5.00 114.28 107.02 1k2t n THR 327 Ca -0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1k2t n THR 327 Cb 0.53 -0.07 0.21 0.00 -2.10 0.00 0.00 70.33 68.90 1k2t n THR 327 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k2t n GLU 328 N -0.03 0.14 0.00 -0.78 1.02 -1.26 -3.93 120.64 115.80 1k2t n GLU 328 Ca 0.00 0.03 0.05 0.00 -0.02 0.00 0.00 57.16 57.22 1k2t n GLU 328 Cb 0.00 -1.58 0.02 0.00 -0.02 0.00 0.00 31.44 29.86 1k2t n GLU 328 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1k2t n HIS 329 N -1.77 0.00 -3.66 -0.32 8.25 -1.26 -5.00 115.22 111.45 1k2t n HIS 329 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.39 1k2t n HIS 329 Cb 0.38 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.41 1k2t n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1k2t s ILE 330 N -1.11 -0.00 -0.20 1.59 2.07 -1.25 -5.14 121.20 117.15 1k2t s ILE 330 Ca 0.10 0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.30 1k2t s ILE 330 Cb 0.08 -0.88 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 1k2t s ILE 330 CO 0.19 0.00 0.01 0.00 -1.91 0.00 0.00 174.94 173.23 1k2t n MET 332 N 4.15 2.32 -0.09 0.00 0.00 -1.26 -4.78 117.12 117.46 1k2t n MET 332 Ca -0.17 -3.38 0.24 0.00 0.00 0.00 0.00 57.70 54.39 1k2t n MET 332 Cb 0.52 -2.00 0.71 0.00 0.00 0.00 0.00 33.22 32.45 1k2t n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1k2t h GLY 333 N 1.36 0.00 -2.37 3.03 0.00 -1.94 -1.19 103.07 101.97 1k2t h GLY 333 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1k2t h GLY 333 CO 0.70 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.10 1k2t n SER 334 N -4.29 3.51 -4.69 0.19 3.41 -1.26 -4.86 113.62 105.62 1k2t n SER 334 Ca 0.14 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.34 1k2t n SER 334 Cb 0.79 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1k2t n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1k2t s ILE 335 N -1.27 4.69 0.26 -1.33 -1.09 -0.45 -4.95 121.20 117.06 1k2t s ILE 335 Ca 0.43 1.96 -0.02 0.00 -2.23 0.00 0.00 60.65 60.79 1k2t s ILE 335 Cb 0.23 -4.26 0.25 0.00 -1.58 0.00 0.00 42.46 37.10 1k2t s ILE 335 CO 0.31 0.02 1.83 -0.03 -1.23 0.00 0.00 174.94 175.84 1k2t h MET 336 N 7.13 0.89 -0.80 2.79 4.05 -1.91 -3.39 114.93 123.70 1k2t h MET 336 Ca -0.32 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 58.89 1k2t h MET 336 Cb 1.15 -0.20 -0.16 0.00 -0.80 0.00 0.00 31.60 31.60 1k2t h MET 336 CO 0.85 0.59 -0.47 1.47 0.23 0.00 0.00 176.91 179.58 1k2t n LEU 337 N -4.66 -3.27 0.01 3.39 -0.00 -1.26 -5.18 117.00 106.03 1k2t n LEU 337 Ca 0.16 -2.88 0.01 0.00 -0.00 0.00 0.00 56.01 53.30 1k2t n LEU 337 Cb 0.30 0.76 0.04 0.00 -0.00 0.00 0.00 43.42 44.52 1k2t n LEU 337 CO 0.28 1.91 0.53 -2.65 -0.00 0.00 0.00 177.39 177.45 1k2t n PRO 338 N 2.71 0.01 -2.21 1.47 -0.02 -1.26 -5.22 135.00 130.47 1k2t n PRO 338 Ca 0.16 0.42 -0.27 0.00 -2.02 0.00 0.00 63.50 61.79 1k2t n PRO 338 Cb 0.58 -1.63 0.17 0.00 -0.02 0.00 0.00 33.50 32.60 1k2t n PRO 338 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1k2t s VAL 348 N -2.87 2.02 0.43 -1.45 1.01 -1.26 -5.05 120.40 113.23 1k2t s VAL 348 Ca -0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 1k2t s VAL 348 Cb 0.00 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.52 1k2t s VAL 348 CO 0.01 0.00 0.97 -0.13 0.00 0.00 0.00 175.10 175.96 1k2t s ARG 349 N -5.63 4.17 0.38 2.72 0.52 -1.26 -5.05 118.95 114.79 1k2t s ARG 349 Ca 0.73 1.22 -0.03 0.00 -0.52 0.00 0.00 55.73 57.12 1k2t s ARG 349 Cb -0.03 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 1k2t s ARG 349 CO 0.50 -0.09 0.63 0.99 0.02 0.00 0.00 175.30 177.35 1k2t s THR 350 N -2.05 5.01 0.35 0.02 2.01 -1.26 -4.94 115.64 114.78 1k2t s THR 350 Ca 0.62 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.54 1k2t s THR 350 Cb -0.12 -3.83 0.27 0.00 0.01 0.00 0.00 72.50 68.83 1k2t s THR 350 CO 0.16 -0.61 1.99 0.07 -0.69 0.00 0.00 174.62 175.54 1k2t h LYS 351 N 0.78 0.83 -0.32 4.92 2.10 -1.95 -0.81 116.57 122.11 1k2t h LYS 351 Ca -0.48 -0.05 -0.05 0.00 -2.00 0.00 0.00 60.65 58.07 1k2t h LYS 351 Cb 1.21 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 32.33 1k2t h LYS 351 CO 0.62 0.55 -0.02 0.38 -2.00 0.00 0.00 179.45 178.98 1k2t h ASP 352 N 0.85 0.47 1.50 7.07 2.03 -1.97 -2.40 116.42 123.98 1k2t h ASP 352 Ca 0.27 -0.09 -0.06 0.00 -0.73 0.00 0.00 57.03 56.42 1k2t h ASP 352 Cb 0.03 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 1k2t h ASP 352 CO -0.07 0.56 -0.51 1.56 -1.03 0.00 0.00 179.24 179.74 1k2t h GLN 353 N 0.48 0.00 -0.04 4.15 4.20 -1.78 -3.38 115.11 118.74 1k2t h GLN 353 Ca 0.10 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 1k2t h GLN 353 Cb 0.35 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.14 1k2t h GLN 353 CO 0.01 0.20 -0.61 1.25 -0.67 0.00 0.00 178.83 179.02 1k2t h LEU 354 N 0.00 0.61 -0.22 1.46 5.85 -0.67 -3.33 115.31 119.01 1k2t h LEU 354 Ca -0.02 -0.71 -0.01 0.00 0.84 0.00 0.00 57.88 57.98 1k2t h LEU 354 Cb 1.20 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1k2t h LEU 354 CO 0.03 1.23 0.10 0.15 -0.34 0.00 0.00 178.44 179.61 1k2t h PHE 355 N 0.04 0.32 -0.57 1.25 3.57 -1.68 -0.72 116.94 119.15 1k2t h PHE 355 Ca -0.06 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.48 1k2t h PHE 355 Cb 1.29 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1k2t h PHE 355 CO 0.13 0.33 0.38 -1.00 -2.23 0.00 0.00 178.31 175.92 1k2t h PRO 356 N 0.22 0.52 -0.34 6.41 0.13 -1.78 0.29 132.00 137.45 1k2t h PRO 356 Ca 0.07 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.10 1k2t h PRO 356 Cb 0.14 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 1k2t h PRO 356 CO -0.01 0.34 -0.06 -0.07 -0.23 0.00 0.00 178.00 177.97 1k2t h LEU 357 N 0.53 0.64 -0.22 1.56 3.38 -1.56 -0.19 115.31 119.45 1k2t h LEU 357 Ca 0.25 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1k2t h LEU 357 Cb 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1k2t h LEU 357 CO -0.07 0.84 0.07 0.00 0.09 0.00 0.00 178.44 179.37 1k2t h ALA 358 N 0.82 0.29 -0.24 1.53 0.00 0.17 -2.18 119.26 119.63 1k2t h ALA 358 Ca 0.09 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1k2t h ALA 358 Cb 0.55 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1k2t h ALA 358 CO 0.03 -0.10 -0.01 -0.22 0.00 0.00 0.00 179.25 178.95 1k2t h LYS 359 N 0.19 0.06 -0.06 0.00 3.64 -0.39 0.14 116.57 120.15 1k2t h LYS 359 Ca 0.07 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1k2t h LYS 359 Cb 0.22 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 1k2t h LYS 359 CO -0.00 0.04 -0.25 0.93 -2.27 0.00 0.00 179.45 177.90 1k2t h GLU 360 N 0.06 -0.34 0.26 1.90 5.08 -0.94 0.24 114.58 120.84 1k2t h GLU 360 Ca 0.12 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1k2t h GLU 360 Cb 0.15 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1k2t h GLU 360 CO -0.21 -0.23 -0.29 0.35 -1.00 0.00 0.00 179.01 177.64 1k2t h PHE 361 N -0.35 -0.77 -0.76 4.33 3.57 -0.98 -1.70 116.94 120.27 1k2t h PHE 361 Ca 0.08 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1k2t h PHE 361 Cb 0.47 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 1k2t h PHE 361 CO -0.31 -0.41 0.50 -0.07 -2.23 0.00 0.00 178.31 175.79 1k2t h LEU 362 N -0.59 0.85 -1.00 0.59 3.38 -0.46 0.35 115.31 118.42 1k2t h LEU 362 Ca -0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1k2t h LEU 362 Cb 0.55 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1k2t h LEU 362 CO -0.08 0.60 0.27 0.44 0.09 0.00 0.00 178.44 179.76 1k2t h ASP 363 N 0.99 0.90 0.46 -0.43 5.19 -0.27 -0.29 116.42 122.97 1k2t h ASP 363 Ca 0.29 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1k2t h ASP 363 Cb -0.05 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.23 1k2t h ASP 363 CO -0.07 0.80 -0.22 1.56 -3.12 0.00 0.00 179.24 178.19 1k2t h GLN 364 N 0.97 -0.59 -0.39 3.56 4.20 -0.11 -0.92 115.11 121.83 1k2t h GLN 364 Ca 0.23 0.04 0.07 0.00 0.06 0.00 0.00 58.65 59.05 1k2t h GLN 364 Cb 0.18 0.13 -0.09 0.00 0.30 0.00 0.00 27.48 28.01 1k2t h GLN 364 CO -0.02 -0.29 -0.41 -0.92 -0.67 0.00 0.00 178.83 176.52 1k2t h TYR 365 N -0.94 -1.20 -0.63 2.96 3.20 -0.24 -0.40 116.97 119.73 1k2t h TYR 365 Ca -0.06 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1k2t h TYR 365 Cb 0.58 0.58 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 1k2t h TYR 365 CO 0.01 -0.44 0.37 1.88 -1.64 0.00 0.00 178.16 178.34 1k2t h TYR 366 N -0.33 0.82 -0.46 -3.82 -1.99 -1.08 -1.64 116.97 108.48 1k2t h TYR 366 Ca 0.14 -0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.80 1k2t h TYR 366 Cb 0.58 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 1k2t h TYR 366 CO -0.60 0.56 -0.01 1.03 -0.00 0.00 0.00 178.16 179.14 1k2t h SER 367 N 0.86 0.73 -0.41 3.88 0.87 -0.00 -0.14 113.55 119.34 1k2t h SER 367 Ca 0.23 -0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 1k2t h SER 367 Cb -0.02 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1k2t h SER 367 CO -0.04 0.80 -0.02 0.77 -0.53 0.00 0.00 176.83 177.81 1k2t h SER 368 N 0.71 0.79 -0.20 6.23 4.64 -0.17 -1.46 113.55 124.09 1k2t h SER 368 Ca 0.14 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1k2t h SER 368 Cb 0.45 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1k2t h SER 368 CO 0.02 0.87 0.00 2.30 -0.87 0.00 0.00 176.83 179.15 1k2t n ILE 369 N -4.20 0.26 -3.51 0.95 -5.35 -0.95 -4.92 119.36 101.65 1k2t n ILE 369 Ca 0.02 -0.29 -0.24 0.00 -0.27 0.00 0.00 62.75 61.98 1k2t n ILE 369 Cb 0.32 0.15 0.05 0.00 -1.74 0.00 0.00 39.64 38.43 1k2t n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1k2t n LYS 370 N 0.12 -2.06 -1.04 6.28 5.02 -0.55 -4.91 118.16 121.02 1k2t n LYS 370 Ca 0.10 0.64 -0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1k2t n LYS 370 Cb 0.21 -4.94 -0.01 0.00 -0.02 0.00 0.00 35.03 30.27 1k2t n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1k2t n ARG 371 N -3.81 0.00 -1.91 1.97 5.12 -0.13 -5.03 116.66 112.87 1k2t n ARG 371 Ca -0.11 -1.29 -0.41 0.00 -1.93 0.00 0.00 57.85 54.11 1k2t n ARG 371 Cb 0.61 0.02 -0.02 0.00 -1.16 0.00 0.00 32.46 31.91 1k2t n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1k2t s PHE 372 N 0.00 2.93 0.00 -1.55 5.36 -1.17 -1.87 117.98 121.68 1k2t s PHE 372 Ca 0.14 0.87 0.00 0.00 -0.96 0.00 0.00 56.93 56.98 1k2t s PHE 372 Cb 0.16 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 1k2t s PHE 372 CO -0.07 -3.13 0.00 0.41 -1.46 0.00 0.00 175.22 170.97 1k2t n GLY 373 N 2.44 2.98 3.34 13.12 0.00 -1.26 -5.01 105.19 120.79 1k2t n GLY 373 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1k2t n GLY 373 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2t n SER 374 N 0.00 -2.49 -0.10 1.61 3.41 -0.78 -4.65 113.62 110.62 1k2t n SER 374 Ca 0.00 -0.32 -0.13 0.00 -0.26 0.00 0.00 58.87 58.16 1k2t n SER 374 Cb 0.00 -1.09 -0.04 0.00 -0.26 0.00 0.00 64.21 62.82 1k2t n SER 374 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1k2t h LYS 375 N -2.73 0.77 -0.97 4.33 3.64 -1.95 -0.78 116.57 118.88 1k2t h LYS 375 Ca -0.55 -0.40 0.13 0.00 -1.27 0.00 0.00 60.65 58.55 1k2t h LYS 375 Cb 1.31 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 1k2t h LYS 375 CO 0.40 1.03 0.62 0.00 -2.27 0.00 0.00 179.45 179.23 1k2t h ALA 376 N 0.73 1.60 -0.02 5.00 0.00 -1.91 0.27 119.26 124.93 1k2t h ALA 376 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1k2t h ALA 376 Cb 0.88 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1k2t h ALA 376 CO 0.08 0.15 -0.02 1.25 0.00 0.00 0.00 179.25 180.70 1k2t h HIS 377 N 0.92 0.07 -0.22 0.00 -0.00 -1.73 -2.34 115.15 111.85 1k2t h HIS 377 Ca 0.49 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.85 1k2t h HIS 377 Cb 0.55 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.93 1k2t h HIS 377 CO -0.00 0.53 0.11 1.98 -0.00 0.00 0.00 177.93 180.55 1k2t h MET 378 N -0.42 0.23 -0.34 5.26 -1.53 -0.30 -2.35 114.93 115.48 1k2t h MET 378 Ca 0.00 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.20 1k2t h MET 378 Cb 0.52 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.50 1k2t h MET 378 CO 0.01 0.15 0.02 -0.44 0.14 0.00 0.00 176.91 176.79 1k2t h ASP 379 N 0.24 0.49 -0.49 1.39 3.32 -0.57 -1.54 116.42 119.26 1k2t h ASP 379 Ca 0.09 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1k2t h ASP 379 Cb 0.02 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1k2t h ASP 379 CO -0.06 0.54 0.17 -0.09 -1.72 0.00 0.00 179.24 178.09 1k2t h ARG 380 N 0.50 0.75 -0.67 3.56 9.65 -1.05 0.46 114.38 127.58 1k2t h ARG 380 Ca 0.11 -0.15 -0.03 0.00 -1.10 0.00 0.00 59.98 58.81 1k2t h ARG 380 Cb 0.30 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 1k2t h ARG 380 CO 0.01 0.69 0.31 -0.07 2.80 0.00 0.00 179.97 183.71 1k2t h LEU 381 N 0.65 0.89 -0.36 3.80 3.38 -1.10 0.12 115.31 122.69 1k2t h LEU 381 Ca 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1k2t h LEU 381 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1k2t h LEU 381 CO -0.01 0.78 0.19 -0.08 0.09 0.00 0.00 178.44 179.41 1k2t h GLU 382 N 0.94 0.52 -0.52 1.13 4.81 -0.78 0.12 114.58 120.79 1k2t h GLU 382 Ca 0.23 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1k2t h GLU 382 Cb 0.13 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1k2t h GLU 382 CO -0.03 0.45 0.19 1.49 -0.73 0.00 0.00 179.01 180.38 1k2t h GLU 383 N 0.45 0.79 -0.18 1.92 4.81 0.26 -1.90 114.58 120.74 1k2t h GLU 383 Ca 0.13 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1k2t h GLU 383 Cb 0.09 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1k2t h GLU 383 CO -0.02 0.71 -0.09 0.28 -0.73 0.00 0.00 179.01 179.16 1k2t h VAL 384 N 0.71 1.31 -0.39 0.32 2.07 -0.57 -1.44 116.25 118.26 1k2t h VAL 384 Ca 0.17 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.60 1k2t h VAL 384 Cb 0.23 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1k2t h VAL 384 CO -0.01 0.34 0.11 -1.13 0.02 0.00 0.00 177.57 176.90 1k2t h ASN 385 N 0.06 0.09 -0.52 0.57 -1.24 -0.73 0.09 115.58 113.90 1k2t h ASN 385 Ca 0.04 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 1k2t h ASN 385 Cb 0.57 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.65 1k2t h ASN 385 CO 0.03 0.09 0.28 0.11 -1.29 0.00 0.00 177.43 176.64 1k2t h LYS 386 N 0.26 0.74 -0.77 6.67 1.57 -1.30 -1.77 116.57 121.96 1k2t h LYS 386 Ca 0.18 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1k2t h LYS 386 Cb 0.19 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1k2t h LYS 386 CO -0.21 0.59 0.50 1.49 -0.57 0.00 0.00 179.45 181.25 1k2t h GLU 387 N 0.70 0.98 -0.14 3.15 4.81 -0.66 -1.90 114.58 121.53 1k2t h GLU 387 Ca 0.18 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1k2t h GLU 387 Cb 0.07 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1k2t h GLU 387 CO -0.03 0.65 0.05 0.82 -0.73 0.00 0.00 179.01 179.78 1k2t h ILE 388 N 1.01 1.15 -0.03 2.32 2.04 -0.68 0.31 117.51 123.64 1k2t h ILE 388 Ca 0.29 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1k2t h ILE 388 Cb -0.07 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1k2t h ILE 388 CO -0.08 0.14 -0.02 -0.08 0.00 0.00 0.00 178.15 178.11 1k2t h GLU 389 N 0.07 0.04 0.00 2.37 4.57 -1.05 1.57 114.58 122.15 1k2t h GLU 389 Ca 0.05 -0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.88 1k2t h GLU 389 Cb 0.17 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.69 1k2t h GLU 389 CO -0.00 0.06 -2.17 -1.13 -1.18 0.00 0.00 179.01 174.59 1k2t n SER 390 N -4.50 0.47 -0.04 1.04 3.41 -0.74 -4.53 113.62 108.73 1k2t n SER 390 Ca -0.03 0.13 0.03 0.00 -0.26 0.00 0.00 58.87 58.75 1k2t n SER 390 Cb 0.12 0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1k2t n SER 390 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1k2t n THR 391 N -2.90 0.00 0.00 6.66 -2.24 0.11 -4.99 114.28 110.91 1k2t n THR 391 Ca -0.29 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1k2t n THR 391 Cb 1.11 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.36 1k2t n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k2t n SER 392 N -0.97 0.00 -0.44 3.42 7.64 0.53 -4.91 113.62 118.91 1k2t n SER 392 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1k2t n SER 392 Cb 0.12 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1k2t n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1k2t n THR 393 N -1.97 0.00 -3.54 0.44 5.66 -1.25 -4.65 114.28 108.97 1k2t n THR 393 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1k2t n THR 393 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1k2t n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1k2t s TYR 394 N -0.93 -0.45 -0.17 1.09 -0.85 -1.26 -2.84 117.35 111.93 1k2t s TYR 394 Ca 0.00 0.69 -0.10 0.00 -0.52 0.00 0.00 57.07 57.15 1k2t s TYR 394 Cb 0.00 0.46 -0.05 0.00 0.38 0.00 0.00 41.96 42.75 1k2t s TYR 394 CO 0.00 -0.47 0.15 -0.65 -1.52 0.00 0.00 175.55 173.06 1k2t s GLN 395 N -1.55 4.01 0.38 -3.49 -1.52 -1.26 -5.04 119.66 111.19 1k2t s GLN 395 Ca -0.03 -0.16 -0.23 0.00 -1.95 0.00 0.00 55.36 52.98 1k2t s GLN 395 Cb -0.00 -3.36 -0.10 0.00 -0.22 0.00 0.00 33.01 29.32 1k2t s GLN 395 CO 0.02 0.42 0.95 -0.51 -0.25 0.00 0.00 175.29 175.92 1k2t s LEU 396 N 0.00 4.13 0.53 2.90 1.43 -1.26 -5.04 118.68 121.37 1k2t s LEU 396 Ca 0.11 1.77 -0.17 0.00 -1.03 0.00 0.00 54.13 54.81 1k2t s LEU 396 Cb -0.12 -4.28 -0.07 0.00 0.03 0.00 0.00 46.19 41.75 1k2t s LEU 396 CO 0.00 -0.23 1.00 -0.54 0.23 0.00 0.00 176.35 176.81 1k2t s LYS 397 N -2.63 3.80 0.26 1.70 1.02 -1.26 -4.83 119.74 117.80 1k2t s LYS 397 Ca 0.56 1.05 -0.02 0.00 0.02 0.00 0.00 55.97 57.59 1k2t s LYS 397 Cb -0.14 -2.11 0.51 0.00 -0.52 0.00 0.00 37.83 35.57 1k2t s LYS 397 CO 0.19 -0.40 1.74 -0.44 -0.92 0.00 0.00 175.35 175.52 1k2t h ASP 398 N 0.91 0.39 -0.83 2.83 5.19 -1.99 0.61 116.42 123.53 1k2t h ASP 398 Ca -0.47 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.03 1k2t h ASP 398 Cb 1.20 0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.72 1k2t h ASP 398 CO 0.60 0.14 0.47 0.71 -3.12 0.00 0.00 179.24 178.05 1k2t h THR 399 N 0.51 1.24 -0.17 0.35 1.35 -1.99 -1.32 112.91 112.88 1k2t h THR 399 Ca 0.45 -0.57 -0.14 0.00 -0.55 0.00 0.00 66.41 65.59 1k2t h THR 399 Cb 0.68 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 1k2t h THR 399 CO -0.40 0.26 -0.49 -0.33 -0.25 0.00 0.00 175.52 174.32 1k2t h GLU 400 N 1.16 0.45 -0.31 4.72 5.08 -1.47 -1.54 114.58 122.67 1k2t h GLU 400 Ca 0.30 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1k2t h GLU 400 Cb 0.00 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1k2t h GLU 400 CO -0.05 0.84 -0.03 1.25 -1.00 0.00 0.00 179.01 180.02 1k2t h LEU 401 N 0.36 0.56 -0.39 1.33 5.85 -0.55 0.35 115.31 122.81 1k2t h LEU 401 Ca 0.02 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1k2t h LEU 401 Cb 0.99 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1k2t h LEU 401 CO 0.09 0.76 0.12 0.40 -0.34 0.00 0.00 178.44 179.46 1k2t h ILE 402 N 0.35 1.22 -0.33 4.05 2.04 -1.21 -0.97 117.51 122.65 1k2t h ILE 402 Ca 0.08 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 1k2t h ILE 402 Cb 0.49 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1k2t h ILE 402 CO 0.02 0.25 0.20 0.22 0.00 0.00 0.00 178.15 178.84 1k2t h TYR 403 N 0.48 0.43 -0.33 1.37 3.20 -1.19 -2.48 116.97 118.44 1k2t h TYR 403 Ca 0.12 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1k2t h TYR 403 Cb 0.27 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1k2t h TYR 403 CO 0.01 0.30 0.17 0.78 -1.64 0.00 0.00 178.16 177.78 1k2t h GLY 404 N 0.43 0.50 0.75 1.82 0.00 -0.73 -2.20 103.07 103.63 1k2t h GLY 404 Ca 0.12 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.24 1k2t h GLY 404 CO -0.02 0.23 0.10 0.00 0.00 0.00 0.00 176.54 176.84 1k2t h ALA 405 N 1.03 0.33 -0.61 3.60 0.00 -1.08 0.37 119.26 122.90 1k2t h ALA 405 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1k2t h ALA 405 Cb 0.09 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1k2t h ALA 405 CO -0.02 -0.30 0.33 0.87 0.00 0.00 0.00 179.25 180.13 1k2t h LYS 406 N 0.23 0.84 0.00 0.00 1.57 -1.38 -2.44 116.57 115.39 1k2t h LYS 406 Ca 0.13 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 1k2t h LYS 406 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1k2t h LYS 406 CO -0.14 0.63 -0.81 0.45 -0.57 0.00 0.00 179.45 179.01 1k2t h HIS 407 N 0.85 0.02 -0.73 -1.35 3.86 -0.71 0.26 115.15 117.36 1k2t h HIS 407 Ca 0.22 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.38 1k2t h HIS 407 Cb 0.03 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 1k2t h HIS 407 CO 0.01 0.82 0.32 0.00 0.86 0.00 0.00 177.93 179.93 1k2t h ALA 408 N 1.18 0.95 -0.09 2.45 0.00 -0.54 0.23 119.26 123.44 1k2t h ALA 408 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1k2t h ALA 408 Cb 1.43 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1k2t h ALA 408 CO 0.11 0.54 -0.01 2.35 0.00 0.00 0.00 179.25 182.24 1k2t h TRP 409 N 1.04 0.18 -0.52 0.00 7.01 -1.18 -2.61 115.95 119.86 1k2t h TRP 409 Ca 0.25 -0.04 0.13 0.00 2.11 0.00 0.00 58.89 61.34 1k2t h TRP 409 Cb 0.17 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 1k2t h TRP 409 CO 0.01 0.46 0.36 -0.09 -2.79 0.00 0.00 178.44 176.39 1k2t h ARG 410 N -0.15 0.14 -0.01 2.65 2.43 -0.02 -1.40 114.38 118.01 1k2t h ARG 410 Ca 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1k2t h ARG 410 Cb 0.40 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1k2t h ARG 410 CO 0.01 0.09 -0.12 0.09 -1.51 0.00 0.00 179.97 178.52 1k2t n ASN 411 N -4.43 1.40 -4.55 -3.80 3.02 0.76 -4.83 115.26 102.83 1k2t n ASN 411 Ca 0.09 -1.28 -0.37 0.00 -0.03 0.00 0.00 54.58 52.99 1k2t n ASN 411 Cb 0.50 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.70 1k2t n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k2t s ALA 412 N -2.22 2.30 -0.25 5.41 0.00 -0.53 -4.71 121.76 121.75 1k2t s ALA 412 Ca 0.31 -1.15 0.23 0.00 0.00 0.00 0.00 51.96 51.35 1k2t s ALA 412 Cb 0.20 -4.36 1.17 0.00 0.00 0.00 0.00 23.12 20.13 1k2t s ALA 412 CO 0.42 -3.86 1.71 0.66 0.00 0.00 0.00 175.76 174.69 1k2t h SER 413 N 12.49 0.00 0.12 0.00 4.64 -1.88 -1.83 113.55 127.09 1k2t h SER 413 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1k2t h SER 413 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1k2t h SER 413 CO 1.25 0.00 -0.23 0.54 -0.87 0.00 0.00 176.83 177.52 1k2t n ARG 414 N -2.30 1.19 -3.30 4.77 1.74 -1.26 -0.12 116.66 117.37 1k2t n ARG 414 Ca -0.00 -0.79 -0.40 0.00 -0.77 0.00 0.00 57.85 55.88 1k2t n ARG 414 Cb 0.10 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 29.98 1k2t n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k2t n VAL 416 N 5.22 0.40 -1.14 0.00 3.14 -1.26 -3.88 118.33 120.80 1k2t n VAL 416 Ca -0.06 -0.21 -0.13 0.00 -2.96 0.00 0.00 64.34 60.98 1k2t n VAL 416 Cb 0.50 -0.46 0.25 0.00 -1.06 0.00 0.00 33.84 33.07 1k2t n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k2t n GLY 417 N 1.36 4.07 0.00 7.55 0.00 -1.26 -4.43 105.19 112.49 1k2t n GLY 417 Ca 0.06 -1.05 0.04 0.00 0.00 0.00 0.00 46.02 45.07 1k2t n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2t n ARG 418 N -0.61 0.01 0.17 1.61 1.74 -1.25 -2.56 116.66 115.77 1k2t n ARG 418 Ca 0.48 0.34 0.17 0.00 -0.77 0.00 0.00 57.85 58.07 1k2t n ARG 418 Cb 1.48 -1.50 0.79 0.00 -1.02 0.00 0.00 32.46 32.21 1k2t n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1k2t h ILE 419 N 0.00 0.53 -0.01 0.55 2.10 -1.90 0.42 117.51 119.19 1k2t h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1k2t h ILE 419 Cb 0.15 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.69 1k2t h ILE 419 CO 0.00 0.00 -0.09 0.00 -1.08 0.00 0.00 178.15 176.98 1k2t n GLN 420 N -3.92 1.42 -0.32 2.19 1.13 -1.06 -4.62 117.38 112.19 1k2t n GLN 420 Ca 0.03 -0.85 0.28 0.00 -1.94 0.00 0.00 57.00 54.52 1k2t n GLN 420 Cb 0.38 -1.48 0.53 0.00 0.11 0.00 0.00 30.24 29.78 1k2t n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1k2t h TRP 421 N 2.08 0.78 0.00 1.08 5.08 -0.35 0.70 115.95 125.32 1k2t h TRP 421 Ca 0.00 0.04 -0.08 0.00 1.08 0.00 0.00 58.89 59.93 1k2t h TRP 421 Cb 0.53 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.50 1k2t h TRP 421 CO 0.00 -0.38 -0.37 0.66 -1.28 0.00 0.00 178.44 177.07 1k2t h SER 422 N 0.10 0.00 -2.51 0.11 4.64 -1.82 -3.37 113.55 110.70 1k2t h SER 422 Ca 0.79 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 61.36 1k2t h SER 422 Cb 1.98 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.87 1k2t h SER 422 CO -0.73 0.37 1.10 -0.54 -0.87 0.00 0.00 176.83 176.16 1k2t s LYS 423 N -3.56 4.07 -0.06 4.77 1.02 0.24 -4.95 119.74 121.27 1k2t s LYS 423 Ca 0.00 -2.66 0.00 0.00 0.02 0.00 0.00 55.97 53.34 1k2t s LYS 423 Cb 0.11 -4.93 0.02 0.00 -0.52 0.00 0.00 37.83 32.51 1k2t s LYS 423 CO 0.69 -1.65 -0.04 -1.17 -0.92 0.00 0.00 175.35 172.26 1k2t s LEU 424 N 1.02 1.10 -0.32 3.17 2.96 -1.26 -4.58 118.68 120.77 1k2t s LEU 424 Ca 0.39 -0.13 -0.24 0.00 -0.22 0.00 0.00 54.13 53.93 1k2t s LEU 424 Cb -0.05 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.16 1k2t s LEU 424 CO -0.02 -0.10 0.81 -1.58 -1.32 0.00 0.00 176.35 174.13 1k2t s GLN 425 N 1.30 3.91 -0.25 1.98 2.00 -0.81 -4.97 119.66 122.82 1k2t s GLN 425 Ca -0.05 0.54 -0.10 0.00 -2.00 0.00 0.00 55.36 53.75 1k2t s GLN 425 Cb -0.14 -3.75 -0.05 0.00 0.80 0.00 0.00 33.01 29.88 1k2t s GLN 425 CO -0.02 -0.75 0.15 0.08 -0.50 0.00 0.00 175.29 174.25 1k2t s VAL 426 N 3.05 5.12 -0.30 1.34 1.01 -1.26 -1.14 120.40 128.22 1k2t s VAL 426 Ca 0.33 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.32 1k2t s VAL 426 Cb -0.14 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1k2t s VAL 426 CO 0.14 0.32 0.13 -0.36 0.00 0.00 0.00 175.10 175.33 1k2t s PHE 427 N 1.34 3.16 -0.82 5.22 0.08 0.59 -4.98 117.98 122.57 1k2t s PHE 427 Ca 0.07 -0.56 -0.26 0.00 0.12 0.00 0.00 56.93 56.30 1k2t s PHE 427 Cb -0.15 -2.32 0.03 0.00 -0.57 0.00 0.00 43.02 40.01 1k2t s PHE 427 CO 0.06 -0.44 1.39 0.34 -0.10 0.00 0.00 175.22 176.48 1k2t s ASP 428 N 1.61 6.16 -0.44 1.36 -1.08 -1.26 -1.25 116.67 121.76 1k2t s ASP 428 Ca 0.05 -0.69 0.04 0.00 -0.52 0.00 0.00 52.55 51.43 1k2t s ASP 428 Cb -0.17 -2.56 0.62 0.00 -1.46 0.00 0.00 42.92 39.35 1k2t s ASP 428 CO 0.06 -1.81 1.85 0.00 0.52 0.00 0.00 175.17 175.78 1k2t n ALA 429 N 9.62 5.48 1.21 3.66 0.00 0.12 -4.60 120.51 135.99 1k2t n ALA 429 Ca 0.14 -3.01 0.12 0.00 0.00 0.00 0.00 53.44 50.69 1k2t n ALA 429 Cb 0.50 -1.36 0.62 0.00 0.00 0.00 0.00 19.45 19.21 1k2t n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k2t n ARG 430 N -1.12 0.43 -0.00 0.00 1.74 -1.08 -2.52 116.66 114.10 1k2t n ARG 430 Ca 0.56 0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.81 1k2t n ARG 430 Cb 1.47 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 31.53 1k2t n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1k2t n ASP 431 N -1.22 2.94 -4.77 0.55 5.68 -1.26 -4.55 116.55 113.92 1k2t n ASP 431 Ca 0.13 -1.98 -0.39 0.00 -0.50 0.00 0.00 54.79 52.05 1k2t n ASP 431 Cb 0.16 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.11 1k2t n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1k2t n THR 433 N 0.55 0.00 -4.19 0.00 -2.24 -1.26 -4.77 114.28 102.37 1k2t n THR 433 Ca 0.02 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 1k2t n THR 433 Cb 0.45 0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 69.42 1k2t n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1k2t s THR 434 N -0.59 0.40 0.22 4.28 -4.23 -1.26 -4.57 115.64 109.89 1k2t s THR 434 Ca 0.00 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.49 1k2t s THR 434 Cb 0.00 -2.01 0.19 0.00 1.34 0.00 0.00 72.50 72.02 1k2t s THR 434 CO 0.00 -0.54 1.89 0.00 -0.54 0.00 0.00 174.62 175.43 1k2t h ALA 435 N 2.82 1.05 -1.00 3.99 0.00 -1.90 0.15 119.26 124.38 1k2t h ALA 435 Ca -0.36 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1k2t h ALA 435 Cb 1.19 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1k2t h ALA 435 CO 0.62 0.43 0.66 0.45 0.00 0.00 0.00 179.25 181.41 1k2t h HIS 436 N 1.10 1.25 -0.75 0.00 -0.00 -1.96 0.20 115.15 114.98 1k2t h HIS 436 Ca 0.31 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 1k2t h HIS 436 Cb -0.10 -0.42 -0.04 0.00 -0.00 0.00 0.00 27.41 26.85 1k2t h HIS 436 CO -0.02 0.79 0.48 0.78 -0.00 0.00 0.00 177.93 179.96 1k2t h GLY 437 N 1.35 1.07 1.50 2.45 0.00 -1.22 -1.82 103.07 106.40 1k2t h GLY 437 Ca 0.37 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1k2t h GLY 437 CO -0.08 0.41 -0.12 -0.33 0.00 0.00 0.00 176.54 176.41 1k2t h MET 438 N 1.02 0.60 -0.54 4.80 0.00 0.57 -2.22 114.93 119.18 1k2t h MET 438 Ca 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 59.70 59.77 1k2t h MET 438 Cb -0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 31.60 31.43 1k2t h MET 438 CO -0.06 0.71 0.27 0.35 0.00 0.00 0.00 176.91 178.18 1k2t h PHE 439 N 0.55 0.76 -0.36 -0.22 3.04 0.05 0.11 116.94 120.88 1k2t h PHE 439 Ca 0.10 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.97 1k2t h PHE 439 Cb 0.54 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1k2t h PHE 439 CO 0.02 0.59 0.04 -0.97 -2.02 0.00 0.00 178.31 175.97 1k2t h ASN 440 N 0.72 0.58 -0.72 0.41 -1.24 -1.16 -0.18 115.58 113.99 1k2t h ASN 440 Ca 0.19 -0.27 0.01 0.00 0.71 0.00 0.00 56.30 56.93 1k2t h ASN 440 Cb 0.10 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 1k2t h ASN 440 CO -0.03 0.71 0.48 1.88 -1.29 0.00 0.00 177.43 179.18 1k2t h TYR 441 N 0.44 0.90 -0.45 0.67 -1.99 -1.10 -1.93 116.97 113.50 1k2t h TYR 441 Ca 0.11 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.72 1k2t h TYR 441 Cb 0.39 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 1k2t h TYR 441 CO 0.03 0.56 -0.24 0.82 -0.00 0.00 0.00 178.16 179.32 1k2t h ILE 442 N 0.97 1.27 -0.68 -2.88 2.04 -0.54 -1.66 117.51 116.03 1k2t h ILE 442 Ca 0.27 -1.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 1k2t h ILE 442 Cb -0.09 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1k2t h ILE 442 CO -0.06 0.48 0.36 0.00 0.00 0.00 0.00 178.15 178.92 1k2t h ASN 444 N 0.93 0.59 -0.33 0.00 2.35 -1.15 -1.22 115.58 116.76 1k2t h ASN 444 Ca 0.24 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 1k2t h ASN 444 Cb 0.07 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1k2t h ASN 444 CO -0.04 0.71 0.02 -0.74 -1.65 0.00 0.00 177.43 175.73 1k2t h HIS 445 N 0.57 0.61 -0.23 1.19 -0.00 -0.72 -1.51 115.15 115.06 1k2t h HIS 445 Ca 0.11 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1k2t h HIS 445 Cb 0.47 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 1k2t h HIS 445 CO 0.02 0.67 0.13 0.28 -0.00 0.00 0.00 177.93 179.03 1k2t h VAL 446 N 0.38 1.12 -0.03 5.26 2.07 -0.88 0.37 116.25 124.54 1k2t h VAL 446 Ca 0.09 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1k2t h VAL 446 Cb 0.42 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1k2t h VAL 446 CO 0.01 0.11 0.02 0.50 0.02 0.00 0.00 177.57 178.23 1k2t h LYS 447 N 0.26 0.04 0.03 1.57 3.64 -1.19 0.12 116.57 121.04 1k2t h LYS 447 Ca 0.08 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1k2t h LYS 447 Cb 0.07 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1k2t h LYS 447 CO -0.01 0.09 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.31 1k2t h TYR 448 N -0.02 -0.07 -0.63 1.91 3.20 -1.17 -1.72 116.97 118.48 1k2t h TYR 448 Ca 0.01 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1k2t h TYR 448 Cb 0.06 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1k2t h TYR 448 CO -0.06 -0.04 0.14 0.00 -1.64 0.00 0.00 178.16 176.55 1k2t h ALA 449 N 0.90 0.83 -0.01 1.82 0.00 -0.82 -3.09 119.26 118.88 1k2t h ALA 449 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1k2t h ALA 449 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1k2t h ALA 449 CO -0.00 0.56 0.00 1.15 0.00 0.00 0.00 179.25 180.96 1k2t h THR 450 N 0.93 1.13 -4.57 0.00 2.02 -0.69 -0.19 112.91 111.54 1k2t h THR 450 Ca 0.19 -0.38 -0.37 0.00 0.77 0.00 0.00 66.41 66.63 1k2t h THR 450 Cb 0.38 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1k2t h THR 450 CO 0.01 0.10 -0.54 -3.20 0.37 0.00 0.00 175.52 172.26 1k2t n ASN 451 N -5.01 -4.95 -0.29 4.18 4.05 -0.65 -1.45 115.26 111.14 1k2t n ASN 451 Ca -0.07 -0.22 -0.04 0.00 0.45 0.00 0.00 54.58 54.70 1k2t n ASN 451 Cb 0.10 -4.06 -0.02 0.00 1.23 0.00 0.00 39.78 37.03 1k2t n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1k2t n LYS 452 N -3.65 -0.69 0.00 1.20 5.02 -1.26 -3.08 118.16 115.70 1k2t n LYS 452 Ca -0.10 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1k2t n LYS 452 Cb 0.60 -4.18 0.00 0.00 -0.02 0.00 0.00 35.03 31.43 1k2t n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k2t n GLY 453 N -1.68 2.07 3.26 0.72 0.00 -0.53 -4.92 105.19 104.11 1k2t n GLY 453 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 1k2t n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k2t n ASN 454 N 0.00 5.64 -4.62 1.61 4.05 -1.12 -0.40 115.26 120.42 1k2t n ASN 454 Ca 0.00 -3.11 -0.41 0.00 0.45 0.00 0.00 54.58 51.51 1k2t n ASN 454 Cb 0.00 -1.40 0.01 0.00 1.23 0.00 0.00 39.78 39.63 1k2t n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1k2t n LEU 455 N 2.97 2.80 -3.96 1.20 4.77 -1.20 -4.49 117.00 119.09 1k2t n LEU 455 Ca 0.28 1.02 -0.22 0.00 -0.03 0.00 0.00 56.01 57.06 1k2t n LEU 455 Cb 0.38 -1.37 -0.16 0.00 -2.33 0.00 0.00 43.42 39.94 1k2t n LEU 455 CO 0.57 -1.46 -0.44 -0.13 -1.33 0.00 0.00 177.39 174.61 1k2t s ARG 456 N -2.09 1.21 0.33 3.23 0.52 -0.08 -5.02 118.95 117.06 1k2t s ARG 456 Ca 0.64 -0.25 -0.29 0.00 -0.52 0.00 0.00 55.73 55.31 1k2t s ARG 456 Cb -0.54 -1.08 -0.10 0.00 0.52 0.00 0.00 34.95 33.74 1k2t s ARG 456 CO 0.56 -0.02 1.38 -1.12 0.02 0.00 0.00 175.30 176.12 1k2t s SER 457 N 0.74 6.63 0.11 0.23 0.01 -1.26 -4.46 113.70 115.70 1k2t s SER 457 Ca -0.12 2.80 -0.22 0.00 1.31 0.00 0.00 55.95 59.71 1k2t s SER 457 Cb -0.15 -2.65 0.06 0.00 0.21 0.00 0.00 66.02 63.49 1k2t s SER 457 CO 0.02 -0.66 0.54 0.00 0.41 0.00 0.00 173.24 173.55 1k2t s ALA 458 N -0.99 -1.40 -0.08 1.44 0.00 -0.69 -1.92 121.76 118.13 1k2t s ALA 458 Ca 0.51 0.44 -0.06 0.00 0.00 0.00 0.00 51.96 52.86 1k2t s ALA 458 Cb -0.42 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.40 1k2t s ALA 458 CO 0.55 -0.66 0.20 -1.50 0.00 0.00 0.00 175.76 174.35 1k2t s ILE 459 N -3.31 -0.02 -0.15 0.00 2.07 -0.29 -0.54 121.20 118.95 1k2t s ILE 459 Ca -0.01 0.06 -0.02 0.00 -1.41 0.00 0.00 60.65 59.27 1k2t s ILE 459 Cb -0.00 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.27 1k2t s ILE 459 CO -0.09 0.02 -0.09 -0.89 -1.91 0.00 0.00 174.94 171.98 1k2t s THR 460 N 0.50 3.31 -0.24 4.00 2.01 -0.32 -0.30 115.64 124.60 1k2t s THR 460 Ca -0.03 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 1k2t s THR 460 Cb -0.05 -2.43 0.01 0.00 0.01 0.00 0.00 72.50 70.05 1k2t s THR 460 CO -0.03 0.50 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.72 1k2t s ILE 461 N 0.59 3.10 0.64 1.82 1.01 -0.38 -3.09 121.20 124.88 1k2t s ILE 461 Ca -0.06 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1k2t s ILE 461 Cb -0.15 -2.49 0.06 0.00 0.01 0.00 0.00 42.46 39.89 1k2t s ILE 461 CO 0.03 0.30 0.90 -0.36 0.00 0.00 0.00 174.94 175.81 1k2t s PHE 462 N 1.40 2.62 0.18 3.97 0.08 -0.80 0.16 117.98 125.59 1k2t s PHE 462 Ca 0.03 0.08 -0.32 0.00 0.12 0.00 0.00 56.93 56.84 1k2t s PHE 462 Cb -0.15 -2.96 -0.16 0.00 -0.57 0.00 0.00 43.02 39.17 1k2t s PHE 462 CO -0.04 -1.23 1.08 -2.30 -0.10 0.00 0.00 175.22 172.63 1k2t n PRO 463 N -2.64 1.04 -1.03 0.24 -0.02 -1.25 -4.69 135.00 126.66 1k2t n PRO 463 Ca 0.09 0.37 -0.29 0.00 -2.02 0.00 0.00 63.50 61.65 1k2t n PRO 463 Cb 0.60 -1.81 0.17 0.00 -0.02 0.00 0.00 33.50 32.45 1k2t n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1k2t s GLN 464 N -0.58 0.58 0.52 -0.52 -2.07 -1.26 -4.61 119.66 111.73 1k2t s GLN 464 Ca 0.71 0.80 -0.20 0.00 -1.82 0.00 0.00 55.36 54.85 1k2t s GLN 464 Cb -0.86 -1.73 -0.07 0.00 -1.09 0.00 0.00 33.01 29.27 1k2t s GLN 464 CO 0.54 -2.70 1.12 0.50 -1.32 0.00 0.00 175.29 173.43 1k2t s ARG 465 N -4.83 3.49 0.00 9.60 3.52 0.19 -4.93 118.95 126.00 1k2t s ARG 465 Ca 0.65 1.60 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 1k2t s ARG 465 Cb -0.20 -2.08 0.00 0.00 -1.56 0.00 0.00 34.95 31.11 1k2t s ARG 465 CO 0.59 -0.73 0.00 0.25 -0.81 0.00 0.00 175.30 174.59 1k2t n THR 466 N -1.11 0.00 0.57 4.11 -2.24 -1.26 -4.78 114.28 109.57 1k2t n THR 466 Ca 0.11 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 1k2t n THR 466 Cb 0.51 -0.09 0.19 0.00 -2.10 0.00 0.00 70.33 68.83 1k2t n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1k2t n ASP 467 N -0.16 3.27 0.00 3.42 5.75 -1.26 -4.84 116.55 122.73 1k2t n ASP 467 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1k2t n ASP 467 Cb 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1k2t n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k2t n GLY 468 N 1.45 0.99 0.38 6.12 0.00 -1.26 -4.62 105.19 108.25 1k2t n GLY 468 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1k2t n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k2t n LYS 469 N -2.00 1.67 -1.30 1.61 5.02 -1.26 -4.52 118.16 117.38 1k2t n LYS 469 Ca 0.00 -0.87 0.01 0.00 -2.02 0.00 0.00 58.31 55.43 1k2t n LYS 469 Cb 0.00 -1.25 0.11 0.00 -0.02 0.00 0.00 35.03 33.87 1k2t n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1k2t n HIS 470 N 0.01 0.48 -1.88 2.13 8.25 -1.26 -4.50 115.22 118.45 1k2t n HIS 470 Ca 0.07 -1.33 -0.37 0.00 -0.26 0.00 0.00 57.72 55.82 1k2t n HIS 470 Cb 0.33 -0.23 0.04 0.00 1.12 0.00 0.00 29.99 31.25 1k2t n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k2t s ASP 471 N -2.94 5.18 -0.19 0.41 1.01 -1.26 -2.57 116.67 116.31 1k2t s ASP 471 Ca 0.37 2.59 -0.10 0.00 0.71 0.00 0.00 52.55 56.13 1k2t s ASP 471 Cb 0.38 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 1k2t s ASP 471 CO -0.09 -1.62 0.14 -0.36 0.21 0.00 0.00 175.17 173.46 1k2t s PHE 472 N -1.42 3.43 -0.01 4.23 0.40 -1.26 0.04 117.98 123.39 1k2t s PHE 472 Ca 0.75 0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 57.43 1k2t s PHE 472 Cb -0.36 -2.15 -0.00 0.00 0.51 0.00 0.00 43.02 41.01 1k2t s PHE 472 CO 0.41 0.33 0.04 1.03 0.70 0.00 0.00 175.22 177.73 1k2t s ARG 473 N 0.23 0.17 -0.31 0.44 1.81 0.16 -3.12 118.95 118.32 1k2t s ARG 473 Ca 0.09 -0.14 -0.09 0.00 -1.72 0.00 0.00 55.73 53.87 1k2t s ARG 473 Cb -0.11 0.07 -0.00 0.00 -0.45 0.00 0.00 34.95 34.46 1k2t s ARG 473 CO -0.01 -0.03 0.14 0.08 -0.68 0.00 0.00 175.30 174.80 1k2t s VAL 474 N -0.48 4.42 0.33 3.52 1.01 -1.26 -0.43 120.40 127.52 1k2t s VAL 474 Ca -0.05 -0.52 0.12 0.00 0.00 0.00 0.00 61.98 61.52 1k2t s VAL 474 Cb -0.03 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 33.12 1k2t s VAL 474 CO -0.00 0.05 1.74 -0.50 0.00 0.00 0.00 175.10 176.39 1k2t h TRP 475 N 8.32 0.00 -4.06 5.22 4.06 -1.60 -3.41 115.95 124.48 1k2t h TRP 475 Ca -0.31 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.11 1k2t h TRP 475 Cb 1.14 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.41 1k2t h TRP 475 CO 0.63 0.47 0.51 -0.80 -3.56 0.00 0.00 178.44 175.68 1k2t s ASN 476 N -6.89 5.42 0.17 -3.49 -0.87 -1.26 -4.92 114.94 103.10 1k2t s ASN 476 Ca -0.02 2.46 0.06 0.00 -1.57 0.00 0.00 52.86 53.79 1k2t s ASN 476 Cb 0.14 -2.61 -0.02 0.00 -0.02 0.00 0.00 41.25 38.74 1k2t s ASN 476 CO 0.74 -1.44 1.38 0.77 -2.57 0.00 0.00 177.10 175.98 1k2t h SER 477 N 1.28 0.07 -4.25 -1.22 4.64 -1.90 -3.33 113.55 108.84 1k2t h SER 477 Ca -0.50 -0.07 -0.21 0.00 -0.47 0.00 0.00 61.79 60.54 1k2t h SER 477 Cb 1.29 -0.02 -0.25 0.00 -0.31 0.00 0.00 62.40 63.10 1k2t h SER 477 CO 0.57 0.92 -0.71 -1.10 -0.87 0.00 0.00 176.83 175.63 1k2t s GLN 478 N -3.06 0.15 0.26 4.77 -0.21 -1.26 -0.99 119.66 119.32 1k2t s GLN 478 Ca -0.01 -0.26 -0.02 0.00 0.02 0.00 0.00 55.36 55.09 1k2t s GLN 478 Cb 0.11 0.02 0.45 0.00 1.00 0.00 0.00 33.01 34.58 1k2t s GLN 478 CO 0.81 -0.01 1.83 -0.07 -2.12 0.00 0.00 175.29 175.73 1k2t h LEU 479 N 5.52 0.82 -8.13 2.90 3.38 -1.55 -3.38 115.31 114.88 1k2t h LEU 479 Ca -0.28 0.04 -0.67 0.00 0.09 0.00 0.00 57.88 57.07 1k2t h LEU 479 Cb 1.21 -0.12 -0.33 0.00 0.09 0.00 0.00 40.66 41.50 1k2t h LEU 479 CO 0.47 0.47 -0.82 -0.63 0.09 0.00 0.00 178.44 178.02 1k2t s ILE 480 N -6.01 2.39 0.04 1.22 1.01 -1.26 -4.88 121.20 113.72 1k2t s ILE 480 Ca -0.12 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.45 1k2t s ILE 480 Cb 0.20 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.66 1k2t s ILE 480 CO 0.80 0.48 0.46 -0.13 0.00 0.00 0.00 174.94 176.55 1k2t s ARG 481 N 1.33 0.97 0.14 2.79 0.52 -1.26 -4.85 118.95 118.58 1k2t s ARG 481 Ca 0.04 -0.30 -0.16 0.00 -0.52 0.00 0.00 55.73 54.80 1k2t s ARG 481 Cb -0.14 0.44 -0.07 0.00 0.52 0.00 0.00 34.95 35.70 1k2t s ARG 481 CO -0.10 -0.34 0.58 0.71 0.02 0.00 0.00 175.30 176.16 1k2t s TYR 482 N -2.44 3.66 0.55 -0.53 4.12 -1.26 -0.56 117.35 120.88 1k2t s TYR 482 Ca -0.05 1.15 -0.19 0.00 0.02 0.00 0.00 57.07 58.00 1k2t s TYR 482 Cb -0.01 -2.43 -0.06 0.00 -1.52 0.00 0.00 41.96 37.95 1k2t s TYR 482 CO -0.02 0.45 1.12 0.00 0.02 0.00 0.00 175.55 177.12 1k2t s ALA 483 N -1.39 2.70 -0.05 3.71 0.00 -0.09 -4.45 121.76 122.19 1k2t s ALA 483 Ca 0.36 0.77 0.04 0.00 0.00 0.00 0.00 51.96 53.13 1k2t s ALA 483 Cb -0.16 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1k2t s ALA 483 CO 0.19 -0.76 -0.16 0.20 0.00 0.00 0.00 175.76 175.23 1k2t s GLY 484 N -1.89 0.88 -0.06 0.00 0.00 -1.22 -1.63 107.32 103.41 1k2t s GLY 484 Ca 0.71 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.85 1k2t s GLY 484 CO 0.28 -0.22 -0.13 -0.19 0.00 0.00 0.00 173.10 172.84 1k2t s TYR 485 N 0.22 1.46 -0.24 1.90 1.51 0.17 -3.93 117.35 118.44 1k2t s TYR 485 Ca -0.07 -0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 55.30 1k2t s TYR 485 Cb -0.13 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 1k2t s TYR 485 CO 0.03 -0.25 0.47 0.21 -1.11 0.00 0.00 175.55 174.90 1k2t s LYS 486 N 0.54 4.11 0.33 -0.62 2.20 -1.26 0.14 119.74 125.19 1k2t s LYS 486 Ca -0.12 0.28 -0.15 0.00 -0.36 0.00 0.00 55.97 55.61 1k2t s LYS 486 Cb -0.15 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.47 1k2t s LYS 486 CO 0.03 -0.23 0.76 -0.65 -0.36 0.00 0.00 175.35 174.90 1k2t s GLN 487 N 1.91 4.02 0.52 4.03 -1.52 -0.47 -4.91 119.66 123.24 1k2t s GLN 487 Ca 0.20 0.70 0.32 0.00 -1.95 0.00 0.00 55.36 54.64 1k2t s GLN 487 Cb -0.15 -2.41 1.74 0.00 -0.22 0.00 0.00 33.01 31.97 1k2t s GLN 487 CO 0.09 0.13 1.97 -1.00 -0.25 0.00 0.00 175.29 176.24 1k2t h PRO 488 N 2.20 0.00 -0.03 2.91 0.13 -1.97 0.73 132.00 135.96 1k2t h PRO 488 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1k2t h PRO 488 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1k2t h PRO 488 CO 0.65 0.00 -0.02 0.22 -0.23 0.00 0.00 178.00 178.62 1k2t h ASP 489 N 0.00 0.04 0.00 1.44 1.82 -2.02 -3.45 116.42 114.24 1k2t h ASP 489 Ca 0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1k2t h ASP 489 Cb 0.14 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1k2t h ASP 489 CO 0.00 0.07 0.00 0.61 -1.61 0.00 0.00 179.24 178.31 1k2t n GLY 490 N -1.43 2.24 3.92 -0.78 0.00 0.25 -5.06 105.19 104.34 1k2t n GLY 490 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1k2t n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k2t s SER 491 N -1.43 4.14 0.00 1.61 1.04 -1.26 -4.81 113.70 113.00 1k2t s SER 491 Ca 0.00 0.55 0.06 0.00 0.48 0.00 0.00 55.95 57.04 1k2t s SER 491 Cb 0.00 -0.93 -0.02 0.00 0.10 0.00 0.00 66.02 65.17 1k2t s SER 491 CO 0.00 -2.10 -0.18 -0.89 0.98 0.00 0.00 173.24 171.05 1k2t s THR 492 N -3.61 1.39 -0.15 2.02 2.01 -1.26 -1.36 115.64 114.68 1k2t s THR 492 Ca 0.65 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 1k2t s THR 492 Cb -0.09 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 1k2t s THR 492 CO 0.49 0.32 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.45 1k2t s LEU 493 N -0.60 3.01 0.00 4.42 1.98 0.12 -4.94 118.68 122.67 1k2t s LEU 493 Ca 0.06 -0.22 0.00 0.00 -2.89 0.00 0.00 54.13 51.08 1k2t s LEU 493 Cb -0.07 -1.71 0.00 0.00 0.66 0.00 0.00 46.19 45.07 1k2t s LEU 493 CO -0.00 0.16 0.00 0.61 -1.89 0.00 0.00 176.35 175.23 1k2t n GLY 494 N 3.59 0.33 3.52 7.98 0.00 -1.26 0.46 105.19 119.82 1k2t n GLY 494 Ca -0.18 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 1k2t n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2t s ASP 495 N -4.00 6.30 0.48 1.61 -1.08 -0.64 -4.77 116.67 114.57 1k2t s ASP 495 Ca 0.00 -0.33 0.20 0.00 -0.52 0.00 0.00 52.55 51.90 1k2t s ASP 495 Cb 0.00 -2.29 1.23 0.00 -1.46 0.00 0.00 42.92 40.40 1k2t s ASP 495 CO 0.00 -0.68 1.97 -0.65 0.52 0.00 0.00 175.17 176.33 1k2t h PRO 496 N 8.76 0.19 0.00 4.34 0.11 -1.82 -1.71 132.00 141.87 1k2t h PRO 496 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1k2t h PRO 496 Cb 1.10 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1k2t h PRO 496 CO 0.85 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 1k2t h ALA 497 N 1.70 1.00 -0.28 -0.75 0.00 -1.93 -2.99 119.26 116.02 1k2t h ALA 497 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1k2t h ALA 497 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1k2t h ALA 497 CO -0.05 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.29 1k2t n ASN 498 N -2.30 2.71 -0.00 0.00 3.02 -0.64 -4.72 115.26 113.32 1k2t n ASN 498 Ca 0.01 -1.92 -0.09 0.00 -0.03 0.00 0.00 54.58 52.55 1k2t n ASN 498 Cb 0.19 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 1k2t n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1k2t h VAL 499 N 1.90 0.59 -0.41 2.41 2.07 -1.59 0.23 116.25 121.45 1k2t h VAL 499 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1k2t h VAL 499 Cb 0.67 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1k2t h VAL 499 CO 0.00 0.00 0.23 -0.61 0.02 0.00 0.00 177.57 177.21 1k2t h GLN 500 N -0.19 0.46 -0.60 1.57 4.15 -1.84 -1.12 115.11 117.52 1k2t h GLN 500 Ca 0.09 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.39 1k2t h GLN 500 Cb 0.33 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1k2t h GLN 500 CO -0.24 0.30 0.00 0.35 -1.93 0.00 0.00 178.83 177.31 1k2t h PHE 501 N 0.47 1.15 -0.41 3.99 3.57 -1.82 -2.60 116.94 121.29 1k2t h PHE 501 Ca 0.16 -0.20 0.05 0.00 3.53 0.00 0.00 57.97 61.52 1k2t h PHE 501 Cb 0.02 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.42 1k2t h PHE 501 CO -0.08 1.01 0.14 1.15 -2.23 0.00 0.00 178.31 178.31 1k2t h THR 502 N 0.97 0.87 -0.10 4.41 2.02 -0.08 -1.71 112.91 119.29 1k2t h THR 502 Ca 0.17 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.29 1k2t h THR 502 Cb 0.55 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1k2t h THR 502 CO 0.03 0.06 -0.17 -0.33 0.37 0.00 0.00 175.52 175.48 1k2t h GLU 503 N 0.31 -0.22 -0.99 6.66 5.08 -1.00 -0.24 114.58 124.17 1k2t h GLU 503 Ca 0.19 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.73 1k2t h GLU 503 Cb 0.18 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.38 1k2t h GLU 503 CO -0.20 -0.15 0.62 0.82 -1.00 0.00 0.00 179.01 179.11 1k2t h ILE 504 N -0.23 0.79 -0.03 3.13 2.04 -1.04 0.29 117.51 122.45 1k2t h ILE 504 Ca 0.09 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1k2t h ILE 504 Cb 0.35 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1k2t h ILE 504 CO -0.23 0.15 -0.00 0.00 0.00 0.00 0.00 178.15 178.07 1k2t h ILE 506 N -0.24 0.59 -0.69 0.00 2.04 0.01 0.12 117.51 119.34 1k2t h ILE 506 Ca 0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1k2t h ILE 506 Cb 0.33 0.59 -0.08 0.00 -0.74 0.00 0.00 36.82 36.91 1k2t h ILE 506 CO 0.00 0.00 0.28 -0.61 0.00 0.00 0.00 178.15 177.82 1k2t h GLN 507 N -0.31 0.45 0.00 2.37 4.15 -0.44 0.16 115.11 121.48 1k2t h GLN 507 Ca 0.04 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1k2t h GLN 507 Cb 0.36 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1k2t h GLN 507 CO -0.13 0.29 0.00 1.04 -1.93 0.00 0.00 178.83 178.10 1k2t n GLN 508 N -4.98 0.29 0.00 1.69 1.13 0.11 -4.82 117.38 110.81 1k2t n GLN 508 Ca 0.12 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 1k2t n GLN 508 Cb 0.34 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.19 1k2t n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1k2t n GLY 509 N 0.05 1.25 3.75 1.08 0.00 0.54 -4.93 105.19 106.93 1k2t n GLY 509 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1k2t n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1k2t s TRP 510 N -2.00 3.78 -0.75 1.61 -0.00 0.31 -4.96 118.94 116.93 1k2t s TRP 510 Ca 0.00 1.79 -0.16 0.00 -0.00 0.00 0.00 56.10 57.74 1k2t s TRP 510 Cb 0.00 -3.13 0.17 0.00 -0.00 0.00 0.00 33.47 30.51 1k2t s TRP 510 CO 0.00 -0.05 0.76 0.15 -0.00 0.00 0.00 176.95 177.81 1k2t s LYS 511 N -1.08 3.40 0.07 5.86 -0.14 -1.26 -4.34 119.74 122.26 1k2t s LYS 511 Ca 0.44 -2.05 -0.31 0.00 -1.36 0.00 0.00 55.97 52.69 1k2t s LYS 511 Cb -0.28 -4.45 -0.08 0.00 -1.68 0.00 0.00 37.83 31.34 1k2t s LYS 511 CO 0.35 -1.40 1.49 0.00 -0.76 0.00 0.00 175.35 175.03 1k2t s ALA 512 N 1.16 3.64 -0.65 5.17 0.00 -1.26 -4.88 121.76 124.93 1k2t s ALA 512 Ca 0.16 1.11 0.22 0.00 0.00 0.00 0.00 51.96 53.44 1k2t s ALA 512 Cb -0.15 -3.61 0.89 0.00 0.00 0.00 0.00 23.12 20.24 1k2t s ALA 512 CO -0.04 -0.87 1.66 -2.30 0.00 0.00 0.00 175.76 174.21 1k2t n PRO 513 N 4.86 0.15 -3.68 0.00 -0.02 -1.26 -4.91 135.00 130.14 1k2t n PRO 513 Ca 0.14 0.34 -0.23 0.00 -2.02 0.00 0.00 63.50 61.73 1k2t n PRO 513 Cb 0.42 -1.76 0.05 0.00 -0.02 0.00 0.00 33.50 32.19 1k2t n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1k2t n ARG 514 N -2.03 -5.83 -2.91 -0.52 1.74 -1.26 -5.02 116.66 100.84 1k2t n ARG 514 Ca 0.03 0.69 -0.16 0.00 -0.77 0.00 0.00 57.85 57.64 1k2t n ARG 514 Cb 0.24 -5.49 0.01 0.00 -1.02 0.00 0.00 32.46 26.20 1k2t n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k2t n GLY 515 N -1.58 2.73 0.14 -0.13 0.00 -1.26 -5.05 105.19 100.04 1k2t n GLY 515 Ca -0.18 -2.25 0.05 0.00 0.00 0.00 0.00 46.02 43.65 1k2t n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1k2t h ARG 516 N 0.00 0.00 -1.95 1.61 2.43 -1.92 -3.39 114.38 111.17 1k2t h ARG 516 Ca -0.22 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.47 1k2t h ARG 516 Cb 0.82 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.97 1k2t h ARG 516 CO 0.34 0.29 -1.13 1.19 -1.51 0.00 0.00 179.97 179.15 1k2t n PHE 517 N -3.03 0.77 -3.12 2.20 3.01 -1.26 -4.33 117.46 111.69 1k2t n PHE 517 Ca -0.01 -3.75 -0.41 0.00 1.01 0.00 0.00 57.45 54.29 1k2t n PHE 517 Cb 0.70 -0.42 -0.07 0.00 -0.01 0.00 0.00 39.48 39.68 1k2t n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k2t s ASP 518 N -2.63 6.48 0.03 4.37 1.01 -1.26 -4.93 116.67 119.75 1k2t s ASP 518 Ca 0.40 0.39 -0.30 0.00 0.71 0.00 0.00 52.55 53.75 1k2t s ASP 518 Cb 0.35 -2.33 -0.08 0.00 1.01 0.00 0.00 42.92 41.87 1k2t s ASP 518 CO -0.08 -0.49 1.84 -0.69 0.21 0.00 0.00 175.17 175.96 1k2t s VAL 519 N 2.62 3.07 0.74 -1.27 1.01 -1.26 -0.91 120.40 124.40 1k2t s VAL 519 Ca 0.25 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 1k2t s VAL 519 Cb -0.15 -3.15 0.04 0.00 0.00 0.00 0.00 36.38 33.12 1k2t s VAL 519 CO 0.12 -0.02 1.15 -0.76 0.00 0.00 0.00 175.10 175.59 1k2t s LEU 520 N 3.89 3.23 0.57 3.92 1.43 0.27 -4.88 118.68 127.11 1k2t s LEU 520 Ca 0.82 2.12 -0.07 0.00 -1.03 0.00 0.00 54.13 55.98 1k2t s LEU 520 Cb -0.41 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.24 1k2t s LEU 520 CO 0.37 -2.13 0.90 -2.16 0.23 0.00 0.00 176.35 173.56 1k2t s PRO 521 N -4.23 3.20 0.12 1.29 0.04 -1.26 -4.77 135.00 129.39 1k2t s PRO 521 Ca 0.69 0.20 -0.23 0.00 0.04 0.00 0.00 61.00 61.69 1k2t s PRO 521 Cb -0.23 -2.26 -0.07 0.00 0.04 0.00 0.00 34.50 31.97 1k2t s PRO 521 CO 0.47 -0.55 0.70 -0.51 0.04 0.00 0.00 177.00 177.15 1k2t s LEU 522 N -4.96 4.56 -0.29 -3.56 1.43 0.11 -4.88 118.68 111.08 1k2t s LEU 522 Ca 0.52 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1k2t s LEU 522 Cb -0.11 -3.15 0.06 0.00 0.03 0.00 0.00 46.19 43.02 1k2t s LEU 522 CO 0.47 0.22 -0.04 -0.22 0.23 0.00 0.00 176.35 177.00 1k2t s LEU 523 N -1.03 3.76 -0.11 1.79 0.20 -1.26 -1.25 118.68 120.79 1k2t s LEU 523 Ca 0.34 -1.37 0.00 0.00 0.69 0.00 0.00 54.13 53.79 1k2t s LEU 523 Cb -0.22 -1.64 -0.02 0.00 -0.43 0.00 0.00 46.19 43.88 1k2t s LEU 523 CO 0.23 -0.24 -0.12 -0.76 -0.29 0.00 0.00 176.35 175.17 1k2t s LEU 524 N 1.18 2.81 -0.26 -0.68 1.43 0.12 -1.56 118.68 121.72 1k2t s LEU 524 Ca -0.06 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1k2t s LEU 524 Cb -0.20 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.44 1k2t s LEU 524 CO -0.03 0.22 -0.07 -1.58 0.23 0.00 0.00 176.35 175.13 1k2t s GLN 525 N 0.00 2.60 -0.05 1.70 0.74 0.43 -0.34 119.66 124.75 1k2t s GLN 525 Ca -0.03 -1.13 0.00 0.00 0.05 0.00 0.00 55.36 54.25 1k2t s GLN 525 Cb -0.14 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 30.96 1k2t s GLN 525 CO 0.04 -0.48 -0.02 0.00 -0.55 0.00 0.00 175.29 174.28 1k2t s ALA 526 N 1.25 3.21 -0.76 1.58 0.00 -1.26 0.36 121.76 126.14 1k2t s ALA 526 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1k2t s ALA 526 Cb -0.18 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1k2t s ALA 526 CO -0.04 0.61 0.00 -1.71 0.00 0.00 0.00 175.76 174.61 1k2t n ASN 527 N 1.85 -2.60 0.00 0.00 4.05 -1.23 -0.80 115.26 116.52 1k2t n ASN 527 Ca -0.17 0.26 0.00 0.00 0.45 0.00 0.00 54.58 55.12 1k2t n ASN 527 Cb 0.53 -2.39 0.00 0.00 1.23 0.00 0.00 39.78 39.15 1k2t n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1k2t n GLY 528 N -0.48 0.95 3.83 8.20 0.00 0.11 -4.39 105.19 113.41 1k2t n GLY 528 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1k2t n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k2t s ASN 529 N -3.03 3.81 0.57 1.61 0.01 0.02 -4.86 114.94 113.06 1k2t s ASN 529 Ca 0.00 0.87 -0.21 0.00 -0.71 0.00 0.00 52.86 52.81 1k2t s ASN 529 Cb 0.00 -1.38 -0.04 0.00 0.41 0.00 0.00 41.25 40.24 1k2t s ASN 529 CO 0.00 -2.35 1.31 -1.81 -1.51 0.00 0.00 177.10 172.74 1k2t s ASP 530 N -4.26 5.18 0.57 -1.22 1.01 -1.26 -4.40 116.67 112.29 1k2t s ASP 530 Ca 0.64 2.66 -0.19 0.00 0.71 0.00 0.00 52.55 56.36 1k2t s ASP 530 Cb -0.13 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.13 1k2t s ASP 530 CO 0.52 -1.62 1.15 -2.16 0.21 0.00 0.00 175.17 173.27 1k2t s PRO 531 N -3.04 3.18 0.02 8.23 0.04 -1.26 -4.70 135.00 137.47 1k2t s PRO 531 Ca 0.74 1.66 0.07 0.00 0.04 0.00 0.00 61.00 63.52 1k2t s PRO 531 Cb -0.38 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1k2t s PRO 531 CO 0.43 -1.00 -0.21 -1.21 0.04 0.00 0.00 177.00 175.05 1k2t s GLU 532 N -3.36 1.56 0.19 4.56 2.02 0.54 -4.86 118.70 119.34 1k2t s GLU 532 Ca 0.74 -0.89 -0.18 0.00 0.02 0.00 0.00 54.97 54.66 1k2t s GLU 532 Cb -0.26 -1.62 -0.08 0.00 0.10 0.00 0.00 34.13 32.28 1k2t s GLU 532 CO 0.30 0.43 0.67 -0.51 0.02 0.00 0.00 175.26 176.16 1k2t s LEU 533 N -0.92 4.37 -0.12 1.80 1.43 -1.26 -0.71 118.68 123.27 1k2t s LEU 533 Ca 0.08 1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 54.33 1k2t s LEU 533 Cb -0.09 -3.44 0.04 0.00 0.03 0.00 0.00 46.19 42.74 1k2t s LEU 533 CO 0.01 0.08 0.46 -0.36 0.23 0.00 0.00 176.35 176.76 1k2t s PHE 534 N -1.46 -0.45 -0.21 0.29 0.40 -0.38 -4.97 117.98 111.20 1k2t s PHE 534 Ca 0.40 1.00 -0.09 0.00 -0.60 0.00 0.00 56.93 57.64 1k2t s PHE 534 Cb -0.17 0.19 -0.05 0.00 0.51 0.00 0.00 43.02 43.50 1k2t s PHE 534 CO 0.20 -0.33 0.12 -1.14 0.70 0.00 0.00 175.22 174.77 1k2t s GLN 535 N -0.32 4.09 0.17 0.44 0.74 -1.26 0.06 119.66 123.58 1k2t s GLN 535 Ca -0.05 -0.27 -0.30 0.00 0.05 0.00 0.00 55.36 54.79 1k2t s GLN 535 Cb -0.03 -3.39 -0.08 0.00 1.10 0.00 0.00 33.01 30.61 1k2t s GLN 535 CO 0.03 0.23 1.28 0.42 -0.55 0.00 0.00 175.29 176.69 1k2t s ILE 536 N 0.55 3.39 -0.22 -2.34 1.01 -1.26 -4.89 121.20 117.44 1k2t s ILE 536 Ca 0.07 1.11 -0.37 0.00 0.00 0.00 0.00 60.65 61.46 1k2t s ILE 536 Cb -0.12 -3.71 -0.13 0.00 0.01 0.00 0.00 42.46 38.51 1k2t s ILE 536 CO 0.00 0.15 1.90 -2.65 0.00 0.00 0.00 174.94 174.35 1k2t n PRO 537 N 2.90 1.56 -0.34 2.79 -0.02 -1.26 -4.83 135.00 135.80 1k2t n PRO 537 Ca 0.07 0.55 0.21 0.00 -2.02 0.00 0.00 63.50 62.30 1k2t n PRO 537 Cb 0.43 -2.41 0.44 0.00 -0.02 0.00 0.00 33.50 31.94 1k2t n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1k2t h PRO 538 N 9.24 0.46 0.00 0.52 0.11 -1.95 0.28 132.00 140.65 1k2t h PRO 538 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1k2t h PRO 538 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1k2t h PRO 538 CO 0.97 0.31 0.00 -0.85 -0.21 0.00 0.00 178.00 178.21 1k2t n GLU 539 N -4.88 0.04 0.08 1.05 0.00 -1.26 -1.61 120.64 114.05 1k2t n GLU 539 Ca 0.28 0.33 0.11 0.00 0.00 0.00 0.00 57.16 57.89 1k2t n GLU 539 Cb 0.85 -1.57 -0.02 0.00 0.00 0.00 0.00 31.44 30.70 1k2t n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1k2t n LEU 540 N -1.64 0.69 -4.42 -1.84 4.32 0.97 -4.77 117.00 110.30 1k2t n LEU 540 Ca 0.03 0.24 -0.44 0.00 -0.02 0.00 0.00 56.01 55.82 1k2t n LEU 540 Cb 0.15 -0.06 -0.04 0.00 -1.62 0.00 0.00 43.42 41.85 1k2t n LEU 540 CO 0.12 -0.13 0.66 -0.69 -1.22 0.00 0.00 177.39 176.13 1k2t s VAL 541 N -3.36 4.60 -0.02 4.08 1.01 -0.63 -4.79 120.40 121.29 1k2t s VAL 541 Ca -0.01 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 1k2t s VAL 541 Cb 0.11 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1k2t s VAL 541 CO 0.81 -1.34 1.15 -0.22 0.00 0.00 0.00 175.10 175.50 1k2t s LEU 542 N 3.26 4.32 0.11 3.92 2.96 -1.26 -5.00 118.68 126.98 1k2t s LEU 542 Ca 0.20 1.83 0.06 0.00 -0.22 0.00 0.00 54.13 56.00 1k2t s LEU 542 Cb -0.17 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1k2t s LEU 542 CO 0.05 -0.49 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.83 1k2t s GLU 543 N 1.68 1.02 -0.14 1.98 2.02 -1.26 -0.75 118.70 123.26 1k2t s GLU 543 Ca 0.55 -1.20 0.01 0.00 0.02 0.00 0.00 54.97 54.36 1k2t s GLU 543 Cb -0.25 -0.98 0.02 0.00 0.10 0.00 0.00 34.13 33.01 1k2t s GLU 543 CO 0.25 0.20 -0.16 0.08 0.02 0.00 0.00 175.26 175.64 1k2t s VAL 544 N -1.87 1.67 0.11 2.63 1.01 0.25 -4.89 120.40 119.32 1k2t s VAL 544 Ca 0.07 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 1k2t s VAL 544 Cb -0.06 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 1k2t s VAL 544 CO 0.03 0.48 1.13 -2.16 0.00 0.00 0.00 175.10 174.57 1k2t s PRO 545 N 1.24 4.53 -0.29 2.72 0.04 -1.26 -1.27 135.00 140.70 1k2t s PRO 545 Ca 0.00 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.58 1k2t s PRO 545 Cb -0.14 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 1k2t s PRO 545 CO -0.07 -0.07 0.46 0.42 0.04 0.00 0.00 177.00 177.78 1k2t s ILE 546 N 0.41 5.09 0.11 0.56 -1.09 0.23 -4.84 121.20 121.67 1k2t s ILE 546 Ca 0.53 0.63 0.03 0.00 -2.23 0.00 0.00 60.65 59.62 1k2t s ILE 546 Cb -0.29 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1k2t s ILE 546 CO 0.32 0.03 -0.09 0.00 -1.23 0.00 0.00 174.94 173.97 1k2t s ARG 547 N 2.25 0.91 0.04 2.79 3.03 -1.26 -4.14 118.95 122.57 1k2t s ARG 547 Ca 0.18 -1.28 -0.06 0.00 2.03 0.00 0.00 55.73 56.59 1k2t s ARG 547 Cb -0.16 -0.49 -0.05 0.00 -1.03 0.00 0.00 34.95 33.23 1k2t s ARG 547 CO 0.10 0.06 0.30 -1.58 -1.13 0.00 0.00 175.30 173.05 1k2t s HIS 548 N -2.97 3.56 0.37 5.89 2.46 -1.26 -4.32 115.29 119.02 1k2t s HIS 548 Ca 0.10 0.59 0.25 0.00 0.47 0.00 0.00 55.06 56.47 1k2t s HIS 548 Cb 0.01 -2.01 1.28 0.00 -0.13 0.00 0.00 32.58 31.73 1k2t s HIS 548 CO -0.01 0.57 2.01 -1.35 -2.47 0.00 0.00 174.74 173.49 1k2t h PRO 549 N 3.74 0.00 0.00 2.88 0.11 -1.92 -3.32 132.00 133.49 1k2t h PRO 549 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1k2t h PRO 549 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1k2t h PRO 549 CO 0.68 0.16 -0.83 1.63 -0.21 0.00 0.00 178.00 179.43 1k2t n LYS 550 N -3.67 1.52 -3.23 1.05 5.02 -1.26 -4.94 118.16 112.65 1k2t n LYS 550 Ca -0.02 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.82 1k2t n LYS 550 Cb 0.28 -0.91 -0.03 0.00 -0.02 0.00 0.00 35.03 34.35 1k2t n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1k2t s PHE 551 N -1.70 3.44 0.61 2.13 2.99 -1.25 -4.89 117.98 119.31 1k2t s PHE 551 Ca 0.00 -1.60 0.31 0.00 0.00 0.00 0.00 56.93 55.65 1k2t s PHE 551 Cb 0.00 -3.91 1.80 0.00 0.00 0.00 0.00 43.02 40.90 1k2t s PHE 551 CO 0.00 -1.12 2.16 0.22 -0.00 0.00 0.00 175.22 176.48 1k2t h ASP 552 N 8.39 0.00 1.01 1.36 3.58 -1.92 -0.10 116.42 128.74 1k2t h ASP 552 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1k2t h ASP 552 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1k2t h ASP 552 CO 0.92 0.00 -0.06 -2.67 -2.88 0.00 0.00 179.24 174.55 1k2t n TRP 553 N -3.64 0.13 -0.21 0.28 4.27 -1.26 -3.81 117.44 113.20 1k2t n TRP 553 Ca -0.00 0.04 -0.06 0.00 -3.89 0.00 0.00 57.50 53.58 1k2t n TRP 553 Cb 0.24 -0.54 0.04 0.00 -1.36 0.00 0.00 31.31 29.69 1k2t n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1k2t h PHE 554 N 0.00 0.81 -0.27 -2.67 3.57 -1.37 -1.51 116.94 115.50 1k2t h PHE 554 Ca 0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1k2t h PHE 554 Cb 0.53 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1k2t h PHE 554 CO 0.00 0.57 0.19 1.57 -2.23 0.00 0.00 178.31 178.41 1k2t h LYS 555 N 0.82 0.00 0.00 1.11 2.10 -1.72 0.14 116.57 119.02 1k2t h LYS 555 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 1k2t h LYS 555 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1k2t h LYS 555 CO -0.04 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.16 1k2t n ASP 556 N -4.44 0.00 0.04 7.07 8.00 -0.57 -2.38 116.55 124.26 1k2t n ASP 556 Ca 0.03 -0.02 0.10 0.00 0.71 0.00 0.00 54.79 55.62 1k2t n ASP 556 Cb 0.35 -0.28 0.41 0.00 -0.02 0.00 0.00 41.12 41.58 1k2t n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1k2t n LEU 557 N -1.28 0.20 -2.14 0.64 4.77 0.49 -4.88 117.00 114.79 1k2t n LEU 557 Ca 0.10 0.54 -0.17 0.00 -0.03 0.00 0.00 56.01 56.45 1k2t n LEU 557 Cb 0.16 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1k2t n LEU 557 CO 0.16 -0.26 -0.13 0.61 -1.33 0.00 0.00 177.39 176.43 1k2t n GLY 558 N 0.38 -0.31 3.89 -0.72 0.00 -1.00 -4.99 105.19 102.43 1k2t n GLY 558 Ca 0.04 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1k2t n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2t s LEU 559 N -5.10 4.32 0.06 0.99 1.43 -1.26 -5.03 118.68 114.09 1k2t s LEU 559 Ca 0.10 0.62 -0.27 0.00 -1.03 0.00 0.00 54.13 53.55 1k2t s LEU 559 Cb -0.04 -3.03 0.09 0.00 0.03 0.00 0.00 46.19 43.23 1k2t s LEU 559 CO 0.12 0.15 0.87 -1.59 0.23 0.00 0.00 176.35 176.12 1k2t s LYS 560 N -2.20 0.99 0.10 1.70 -2.85 -1.26 -0.60 119.74 115.62 1k2t s LYS 560 Ca 0.35 -0.43 -0.12 0.00 -1.00 0.00 0.00 55.97 54.77 1k2t s LYS 560 Cb -0.13 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 1k2t s LYS 560 CO 0.21 -0.44 0.29 -0.46 0.10 0.00 0.00 175.35 175.05 1k2t s TRP 561 N -3.25 -0.03 0.52 1.78 -0.11 -0.40 -4.92 118.94 112.52 1k2t s TRP 561 Ca 0.07 -0.31 -0.17 0.00 1.22 0.00 0.00 56.10 56.91 1k2t s TRP 561 Cb -0.01 0.09 -0.07 0.00 -1.50 0.00 0.00 33.47 31.98 1k2t s TRP 561 CO -0.06 -0.60 0.99 1.52 -4.62 0.00 0.00 176.95 174.18 1k2t s TYR 562 N -3.66 3.39 -0.20 5.86 -0.85 -1.26 0.86 117.35 121.48 1k2t s TYR 562 Ca 0.03 1.48 0.19 0.00 -0.52 0.00 0.00 57.07 58.24 1k2t s TYR 562 Cb 0.03 -2.82 -0.00 0.00 0.38 0.00 0.00 41.96 39.54 1k2t s TYR 562 CO -0.10 -0.46 1.10 0.78 -1.52 0.00 0.00 175.55 175.34 1k2t h GLY 563 N 0.88 0.00 -7.58 5.49 0.00 -1.28 -3.45 103.07 97.13 1k2t h GLY 563 Ca -0.47 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.16 1k2t h GLY 563 CO 0.61 0.00 -0.51 -2.27 0.00 0.00 0.00 176.54 174.36 1k2t s LEU 564 N -5.82 4.69 -0.23 3.11 2.96 -1.26 -4.55 118.68 117.58 1k2t s LEU 564 Ca 0.00 -0.96 -0.20 0.00 -0.22 0.00 0.00 54.13 52.75 1k2t s LEU 564 Cb 0.08 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1k2t s LEU 564 CO 0.78 -0.37 0.62 -2.16 -1.32 0.00 0.00 176.35 173.89 1k2t s PRO 565 N 1.56 4.15 -0.30 0.98 0.04 -1.26 -4.69 135.00 135.48 1k2t s PRO 565 Ca 0.02 0.56 -0.03 0.00 0.04 0.00 0.00 61.00 61.59 1k2t s PRO 565 Cb -0.19 -3.62 0.10 0.00 0.04 0.00 0.00 34.50 30.83 1k2t s PRO 565 CO 0.07 -0.35 0.13 0.00 0.04 0.00 0.00 177.00 176.89 1k2t s ALA 566 N 2.28 0.81 0.18 8.56 0.00 -1.26 -2.93 121.76 129.39 1k2t s ALA 566 Ca 0.27 -1.24 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 1k2t s ALA 566 Cb -0.16 -1.45 -0.10 0.00 0.00 0.00 0.00 23.12 21.42 1k2t s ALA 566 CO 0.09 -1.67 1.50 0.08 0.00 0.00 0.00 175.76 175.76 1k2t s VAL 567 N 1.96 2.77 0.00 0.00 1.01 0.06 -1.42 120.40 124.78 1k2t s VAL 567 Ca 0.10 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1k2t s VAL 567 Cb -0.17 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1k2t s VAL 567 CO -0.33 0.06 0.42 -1.54 0.00 0.00 0.00 175.10 173.71 1k2t n SER 568 N 3.56 0.67 -0.78 3.32 3.41 -0.16 -0.93 113.62 122.70 1k2t n SER 568 Ca 0.12 -1.17 0.07 0.00 -0.26 0.00 0.00 58.87 57.62 1k2t n SER 568 Cb 0.40 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.53 1k2t n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1k2t n ASN 569 N -0.09 3.07 -4.96 4.04 0.23 -1.19 -4.36 115.26 112.00 1k2t n ASN 569 Ca 0.00 -1.96 -0.22 0.00 -0.53 0.00 0.00 54.58 51.87 1k2t n ASN 569 Cb 0.21 -0.26 -0.01 0.00 -2.08 0.00 0.00 39.78 37.64 1k2t n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1k2t s MET 570 N -1.02 3.29 -0.12 -3.83 -1.94 -1.26 -4.31 119.30 110.11 1k2t s MET 570 Ca 0.28 -0.57 -0.03 0.00 -1.71 0.00 0.00 55.69 53.67 1k2t s MET 570 Cb 0.15 -2.70 -0.03 0.00 2.01 0.00 0.00 34.83 34.26 1k2t s MET 570 CO 0.20 0.06 -0.01 -1.17 -0.01 0.00 0.00 175.02 174.08 1k2t s LEU 571 N -4.31 3.46 -0.23 -0.03 2.96 0.47 -4.35 118.68 116.65 1k2t s LEU 571 Ca 0.42 0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 54.29 1k2t s LEU 571 Cb -0.10 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1k2t s LEU 571 CO 0.35 0.29 0.08 -0.22 -1.32 0.00 0.00 176.35 175.52 1k2t s LEU 572 N -0.33 3.61 -0.22 -0.68 2.96 -0.38 0.29 118.68 123.92 1k2t s LEU 572 Ca 0.06 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.82 1k2t s LEU 572 Cb -0.12 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 1k2t s LEU 572 CO 0.02 0.02 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.37 1k2t s GLU 573 N 1.29 3.52 -0.18 1.98 2.12 0.27 -0.38 118.70 127.33 1k2t s GLU 573 Ca 0.05 -0.56 -0.01 0.00 0.36 0.00 0.00 54.97 54.82 1k2t s GLU 573 Cb -0.15 -3.11 0.05 0.00 0.26 0.00 0.00 34.13 31.18 1k2t s GLU 573 CO 0.04 -0.13 -0.03 0.42 -0.54 0.00 0.00 175.26 175.02 1k2t s ILE 574 N 1.37 1.01 -1.44 -3.70 1.01 -0.58 -1.99 121.20 116.88 1k2t s ILE 574 Ca 0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.98 1k2t s ILE 574 Cb -0.15 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.08 1k2t s ILE 574 CO 0.00 0.02 0.57 0.61 0.00 0.00 0.00 174.94 176.14 1k2t n GLY 575 N 4.89 -0.29 3.16 6.18 0.00 -1.26 -0.61 105.19 117.26 1k2t n GLY 575 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1k2t n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2t n GLY 576 N -1.81 2.98 3.79 -0.02 0.00 -1.26 -3.73 105.19 105.14 1k2t n GLY 576 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1k2t n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2t s LEU 577 N 0.00 4.04 -0.17 0.99 1.43 0.22 -4.94 118.68 120.25 1k2t s LEU 577 Ca 0.00 2.03 0.01 0.00 -1.03 0.00 0.00 54.13 55.14 1k2t s LEU 577 Cb 0.00 -4.30 0.02 0.00 0.03 0.00 0.00 46.19 41.94 1k2t s LEU 577 CO 0.00 -0.61 -0.17 -1.61 0.23 0.00 0.00 176.35 174.18 1k2t s GLU 578 N -2.73 2.69 -0.59 1.70 2.02 -1.26 -1.52 118.70 119.01 1k2t s GLU 578 Ca 0.61 -0.75 -0.07 0.00 0.02 0.00 0.00 54.97 54.78 1k2t s GLU 578 Cb -0.21 -2.41 0.15 0.00 0.10 0.00 0.00 34.13 31.76 1k2t s GLU 578 CO 0.26 -0.24 0.44 -0.06 0.02 0.00 0.00 175.26 175.68 1k2t s PHE 579 N 1.36 3.50 0.11 1.61 0.40 0.49 0.56 117.98 126.00 1k2t s PHE 579 Ca 0.04 -2.27 0.33 0.00 -0.60 0.00 0.00 56.93 54.43 1k2t s PHE 579 Cb -0.13 -3.41 1.57 0.00 0.51 0.00 0.00 43.02 41.55 1k2t s PHE 579 CO -0.12 -0.93 2.00 0.66 0.70 0.00 0.00 175.22 177.53 1k2t h SER 580 N 7.75 0.00 -3.30 1.36 4.64 -1.82 -1.01 113.55 121.17 1k2t h SER 580 Ca -0.07 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.67 1k2t h SER 580 Cb 1.02 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.71 1k2t h SER 580 CO 0.77 0.00 -0.76 0.00 -0.87 0.00 0.00 176.83 175.97 1k2t s ALA 581 N -3.72 1.56 -0.38 5.18 0.00 -1.18 -4.63 121.76 118.58 1k2t s ALA 581 Ca -0.00 -1.42 0.12 0.00 0.00 0.00 0.00 51.96 50.65 1k2t s ALA 581 Cb 0.10 -1.50 0.37 0.00 0.00 0.00 0.00 23.12 22.09 1k2t s ALA 581 CO 0.43 -1.46 0.93 0.00 0.00 0.00 0.00 175.76 175.66 1k2t n PRO 583 N 0.13 1.30 -4.08 0.00 -0.04 -1.18 -4.61 135.00 126.53 1k2t n PRO 583 Ca 0.14 0.46 -0.14 0.00 -0.04 0.00 0.00 63.50 63.93 1k2t n PRO 583 Cb 0.72 -2.00 -0.13 0.00 -0.04 0.00 0.00 33.50 32.05 1k2t n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1k2t s PHE 584 N -0.08 0.51 0.05 0.54 -0.12 -0.11 -1.18 117.98 117.60 1k2t s PHE 584 Ca 0.74 -0.32 -0.01 0.00 -0.05 0.00 0.00 56.93 57.29 1k2t s PHE 584 Cb -0.83 -0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 41.20 1k2t s PHE 584 CO 0.51 -0.06 -0.03 -1.54 -0.05 0.00 0.00 175.22 174.04 1k2t s SER 585 N -0.94 0.54 0.00 1.98 1.04 0.30 -0.76 113.70 115.86 1k2t s SER 585 Ca -0.06 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.43 1k2t s SER 585 Cb -0.06 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1k2t s SER 585 CO 0.00 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1k2t n GLY 586 N 0.26 4.12 3.14 7.32 0.00 -1.15 -1.70 105.19 117.18 1k2t n GLY 586 Ca -0.15 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1k2t n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k2t s TRP 587 N 2.96 -0.03 0.52 1.61 -2.14 -1.26 -4.51 118.94 116.09 1k2t s TRP 587 Ca 0.00 -0.00 -0.22 0.00 2.66 0.00 0.00 56.10 58.54 1k2t s TRP 587 Cb 0.00 -0.01 -0.05 0.00 -3.10 0.00 0.00 33.47 30.31 1k2t s TRP 587 CO 0.00 -0.31 1.26 0.71 -2.66 0.00 0.00 176.95 175.95 1k2t s TYR 588 N -1.31 2.52 -0.18 1.66 1.51 -1.26 -4.89 117.35 115.39 1k2t s TYR 588 Ca -0.14 1.46 -0.08 0.00 -1.01 0.00 0.00 57.07 57.30 1k2t s TYR 588 Cb -0.07 -3.58 -0.04 0.00 -0.11 0.00 0.00 41.96 38.16 1k2t s TYR 588 CO 0.02 -2.25 0.10 1.41 -1.11 0.00 0.00 175.55 173.72 1k2t s MET 589 N -2.92 4.00 0.27 -0.62 -2.45 -1.26 -1.69 119.30 114.64 1k2t s MET 589 Ca 0.70 -0.27 -0.06 0.00 -1.25 0.00 0.00 55.69 54.82 1k2t s MET 589 Cb -0.34 -3.30 0.50 0.00 1.25 0.00 0.00 34.83 32.94 1k2t s MET 589 CO 0.40 0.35 1.49 0.41 1.05 0.00 0.00 175.02 178.71 1k2t n GLY 590 N 3.33 -1.54 0.34 2.11 0.00 0.19 -1.65 105.19 107.97 1k2t n GLY 590 Ca -0.17 1.00 0.19 0.00 0.00 0.00 0.00 46.02 47.05 1k2t n GLY 590 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1k2t h THR 591 N 0.00 0.09 -0.58 2.61 1.35 -1.94 -2.08 112.91 112.36 1k2t h THR 591 Ca 0.48 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 66.27 1k2t h THR 591 Cb 0.80 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 1k2t h THR 591 CO -0.96 0.00 0.06 -0.33 -0.25 0.00 0.00 175.52 174.04 1k2t h GLU 592 N 0.00 0.95 0.00 4.72 5.08 -1.72 -0.37 114.58 123.24 1k2t h GLU 592 Ca 0.01 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1k2t h GLU 592 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1k2t h GLU 592 CO -0.00 0.90 -0.65 0.82 -1.00 0.00 0.00 179.01 179.07 1k2t h ILE 593 N 0.89 0.33 -0.30 3.13 2.04 -1.63 -1.67 117.51 120.31 1k2t h ILE 593 Ca 0.18 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1k2t h ILE 593 Cb 0.43 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1k2t h ILE 593 CO 0.01 0.11 0.19 1.23 0.00 0.00 0.00 178.15 179.70 1k2t h GLY 594 N -1.00 0.43 0.00 5.37 0.00 -1.47 0.13 103.07 106.53 1k2t h GLY 594 Ca -0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1k2t h GLY 594 CO -0.06 0.16 -1.11 -0.62 0.00 0.00 0.00 176.54 174.91 1k2t n VAL 595 N -4.48 1.50 0.00 4.60 0.31 -0.18 -4.16 118.33 115.92 1k2t n VAL 595 Ca 0.02 0.10 -0.08 0.00 -0.01 0.00 0.00 64.34 64.37 1k2t n VAL 595 Cb 0.07 -2.31 -0.06 0.00 -0.91 0.00 0.00 33.84 30.63 1k2t n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1k2t h ARG 596 N -1.00 -0.12 -0.41 5.55 2.47 -1.55 -1.85 114.38 117.47 1k2t h ARG 596 Ca -0.06 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.58 1k2t h ARG 596 Cb 1.03 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.36 1k2t h ARG 596 CO -0.03 0.30 -0.11 -0.44 0.56 0.00 0.00 179.97 180.25 1k2t h ASP 597 N -0.96 0.72 0.21 7.04 3.32 -1.10 -2.56 116.42 123.08 1k2t h ASP 597 Ca -0.01 -0.21 -0.35 0.00 0.02 0.00 0.00 57.03 56.48 1k2t h ASP 597 Cb 0.47 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1k2t h ASP 597 CO 0.02 0.85 -1.98 -1.22 -1.72 0.00 0.00 179.24 175.20 1k2t n TYR 598 N -4.17 1.06 0.72 4.55 0.53 0.02 -2.47 117.16 117.39 1k2t n TYR 598 Ca 0.01 0.26 0.07 0.00 -1.02 0.00 0.00 57.90 57.23 1k2t n TYR 598 Cb 0.35 -1.15 -0.05 0.00 -1.03 0.00 0.00 39.34 37.46 1k2t n TYR 598 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1k2t s ASP 600 N -2.22 6.48 0.42 0.00 1.11 -0.96 -4.66 116.67 116.83 1k2t s ASP 600 Ca 0.09 2.94 0.08 0.00 0.18 0.00 0.00 52.55 55.84 1k2t s ASP 600 Cb 0.12 -2.66 0.90 0.00 1.07 0.00 0.00 42.92 42.35 1k2t s ASP 600 CO 0.54 -0.77 2.06 0.78 1.18 0.00 0.00 175.17 178.95 1k2t h ASN 601 N 3.17 0.43 -0.39 0.27 2.35 -1.93 -1.98 115.58 117.50 1k2t h ASN 601 Ca -0.50 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 1k2t h ASN 601 Cb 1.23 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1k2t h ASN 601 CO 0.65 0.31 0.00 -1.20 -1.65 0.00 0.00 177.43 175.54 1k2t n SER 602 N -4.48 2.10 0.00 5.81 7.64 -1.26 -4.62 113.62 118.81 1k2t n SER 602 Ca 0.04 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1k2t n SER 602 Cb 0.10 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1k2t n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1k2t n ARG 603 N 0.63 1.86 0.11 1.43 5.12 -0.75 -4.24 116.66 120.82 1k2t n ARG 603 Ca 0.13 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1k2t n ARG 603 Cb 0.33 0.00 0.29 0.00 -1.16 0.00 0.00 32.46 31.92 1k2t n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1k2t h TYR 604 N 0.00 0.25 -5.80 -1.55 -1.99 -1.65 -3.42 116.97 102.80 1k2t h TYR 604 Ca 0.00 -0.05 -0.23 0.00 2.00 0.00 0.00 58.73 60.45 1k2t h TYR 604 Cb 0.00 -0.06 0.06 0.00 2.00 0.00 0.00 36.73 38.73 1k2t h TYR 604 CO 0.00 0.52 -0.56 -1.71 -0.00 0.00 0.00 178.16 176.41 1k2t n ASN 605 N -4.11 -6.55 -1.44 3.88 5.15 -0.26 -4.94 115.26 106.98 1k2t n ASN 605 Ca -0.01 -0.56 0.10 0.00 -0.60 0.00 0.00 54.58 53.51 1k2t n ASN 605 Cb 0.40 -4.27 0.33 0.00 -0.53 0.00 0.00 39.78 35.71 1k2t n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1k2t n ILE 606 N -2.75 1.54 -0.01 -1.44 -5.35 -0.16 -4.64 119.36 106.56 1k2t n ILE 606 Ca -0.09 -1.15 -0.10 0.00 -0.27 0.00 0.00 62.75 61.15 1k2t n ILE 606 Cb 0.58 0.26 -0.04 0.00 -1.74 0.00 0.00 39.64 38.69 1k2t n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1k2t h LEU 607 N 3.98 0.00 -0.21 7.28 3.38 -1.88 -2.13 115.31 125.73 1k2t h LEU 607 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1k2t h LEU 607 Cb 1.27 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1k2t h LEU 607 CO 0.15 0.02 0.13 -0.33 0.09 0.00 0.00 178.44 178.50 1k2t h GLU 608 N 0.08 0.28 -0.20 1.13 5.08 -1.99 0.94 114.58 119.90 1k2t h GLU 608 Ca 0.06 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1k2t h GLU 608 Cb 0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1k2t h GLU 608 CO -0.08 0.21 -0.02 1.49 -1.00 0.00 0.00 179.01 179.61 1k2t h GLU 609 N 0.26 0.30 0.14 2.33 4.81 -1.87 0.65 114.58 121.20 1k2t h GLU 609 Ca 0.07 -0.05 -0.30 0.00 -0.13 0.00 0.00 59.36 58.96 1k2t h GLU 609 Cb -0.00 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.35 1k2t h GLU 609 CO -0.02 0.34 -1.27 0.28 -0.73 0.00 0.00 179.01 177.61 1k2t h VAL 610 N 0.29 1.33 -0.21 0.32 2.07 -1.11 -2.82 116.25 116.12 1k2t h VAL 610 Ca 0.07 -2.62 -0.05 0.00 0.82 0.00 0.00 66.70 64.92 1k2t h VAL 610 Cb 0.23 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1k2t h VAL 610 CO 0.01 0.79 -0.06 0.00 0.02 0.00 0.00 177.57 178.33 1k2t h ALA 611 N 0.36 0.30 -0.00 1.67 0.00 -0.29 -1.81 119.26 119.48 1k2t h ALA 611 Ca -0.18 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1k2t h ALA 611 Cb 1.95 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 1k2t h ALA 611 CO 0.23 0.09 -0.27 0.87 0.00 0.00 0.00 179.25 180.17 1k2t h LYS 612 N 0.14 -0.40 0.00 0.00 1.57 0.22 -0.70 116.57 117.40 1k2t h LYS 612 Ca 0.05 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1k2t h LYS 612 Cb 0.52 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1k2t h LYS 612 CO 0.02 -0.27 0.00 0.87 -0.57 0.00 0.00 179.45 179.50 1k2t h LYS 613 N -0.42 0.00 -0.00 3.15 1.57 -1.49 0.12 116.57 119.50 1k2t h LYS 613 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1k2t h LYS 613 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1k2t h LYS 613 CO -0.24 0.00 -0.29 -1.33 -0.57 0.00 0.00 179.45 177.02 1k2t n MET 614 N -2.74 0.52 -3.24 3.15 2.81 -0.40 -4.97 117.12 112.25 1k2t n MET 614 Ca -0.00 -0.27 -0.07 0.00 -1.81 0.00 0.00 57.70 55.54 1k2t n MET 614 Cb 0.18 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.20 1k2t n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1k2t n ASP 615 N -1.00 -7.06 -4.65 7.83 2.03 0.41 -5.02 116.55 109.10 1k2t n ASP 615 Ca 0.10 -0.32 -0.27 0.00 0.52 0.00 0.00 54.79 54.82 1k2t n ASP 615 Cb 0.33 -4.52 -0.08 0.00 -0.72 0.00 0.00 41.12 36.13 1k2t n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1k2t s LEU 616 N -4.37 3.27 -0.81 -2.67 1.43 -1.10 -5.04 118.68 109.38 1k2t s LEU 616 Ca 0.05 -0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 52.50 1k2t s LEU 616 Cb -0.01 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1k2t s LEU 616 CO 0.78 0.11 1.79 -0.62 0.23 0.00 0.00 176.35 178.65 1k2t s ASP 617 N -2.79 5.45 -0.25 2.29 3.68 -1.26 -4.79 116.67 119.00 1k2t s ASP 617 Ca 0.26 -0.45 0.07 0.00 2.13 0.00 0.00 52.55 54.56 1k2t s ASP 617 Cb -0.10 -2.55 0.55 0.00 -1.45 0.00 0.00 42.92 39.37 1k2t s ASP 617 CO 0.18 -2.38 1.55 0.23 0.13 0.00 0.00 175.17 174.87 1k2t n MET 618 N 9.01 2.93 0.06 4.34 2.81 -1.26 -4.26 117.12 130.76 1k2t n MET 618 Ca 0.30 -2.27 -0.09 0.00 -1.81 0.00 0.00 57.70 53.82 1k2t n MET 618 Cb 0.49 -1.97 -0.13 0.00 -0.71 0.00 0.00 33.22 30.90 1k2t n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k2t h ARG 619 N 1.87 0.07 -3.20 0.03 3.08 -2.03 -3.46 114.38 110.75 1k2t h ARG 619 Ca 0.23 -0.12 -0.21 0.00 0.07 0.00 0.00 59.98 59.96 1k2t h ARG 619 Cb 1.98 0.04 -0.29 0.00 0.08 0.00 0.00 29.97 31.78 1k2t h ARG 619 CO 0.59 1.01 -0.53 -1.59 -1.07 0.00 0.00 179.97 178.38 1k2t s LYS 620 N -2.68 0.17 0.40 0.04 -2.85 -1.26 -5.04 119.74 108.51 1k2t s LYS 620 Ca -0.01 0.38 0.16 0.00 -1.00 0.00 0.00 55.97 55.49 1k2t s LYS 620 Cb 0.09 -0.06 1.02 0.00 -2.06 0.00 0.00 37.83 36.82 1k2t s LYS 620 CO 0.84 -0.12 1.84 1.79 0.10 0.00 0.00 175.35 179.80 1k2t h THR 621 N 5.59 0.68 0.00 3.79 1.35 -1.90 -1.41 112.91 121.02 1k2t h THR 621 Ca -0.36 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1k2t h THR 621 Cb 1.16 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1k2t h THR 621 CO 0.40 0.09 0.00 -1.54 -0.25 0.00 0.00 175.52 174.22 1k2t n SER 622 N -4.56 0.00 -0.41 5.36 3.41 -1.26 0.45 113.62 116.61 1k2t n SER 622 Ca 0.20 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.93 1k2t n SER 622 Cb 0.68 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.82 1k2t n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k2t n SER 623 N -0.94 1.63 -3.87 4.04 3.41 -0.53 -4.96 113.62 112.39 1k2t n SER 623 Ca 0.00 -1.28 -0.28 0.00 -0.26 0.00 0.00 58.87 57.05 1k2t n SER 623 Cb 0.00 0.30 0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1k2t n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k2t n LEU 624 N -0.22 -2.65 -0.18 1.04 4.77 0.17 -4.89 117.00 115.06 1k2t n LEU 624 Ca 0.11 -0.80 -0.10 0.00 -0.03 0.00 0.00 56.01 55.19 1k2t n LEU 624 Cb 0.42 -2.56 0.01 0.00 -2.33 0.00 0.00 43.42 38.95 1k2t n LEU 624 CO 0.26 0.45 0.77 4.11 -1.33 0.00 0.00 177.39 181.66 1k2t h TRP 625 N -2.03 1.02 -0.27 -1.77 5.08 -1.83 -1.07 115.95 115.08 1k2t h TRP 625 Ca -0.59 -0.20 0.02 0.00 1.08 0.00 0.00 58.89 59.20 1k2t h TRP 625 Cb 1.37 -0.26 -0.02 0.00 -3.00 0.00 0.00 29.16 27.25 1k2t h TRP 625 CO 0.54 0.96 0.13 0.87 -1.28 0.00 0.00 178.44 179.67 1k2t h LYS 626 N 0.79 0.27 -0.30 0.12 1.57 -1.90 0.01 116.57 117.14 1k2t h LYS 626 Ca 0.14 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1k2t h LYS 626 Cb 0.59 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1k2t h LYS 626 CO 0.04 0.18 0.17 -0.44 -0.57 0.00 0.00 179.45 178.82 1k2t h ASP 627 N 0.28 0.37 -0.25 0.86 5.19 -1.92 -0.67 116.42 120.28 1k2t h ASP 627 Ca 0.11 -0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1k2t h ASP 627 Cb 0.04 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 1k2t h ASP 627 CO -0.08 0.34 0.09 -0.61 -3.12 0.00 0.00 179.24 175.86 1k2t h GLN 628 N 0.37 0.20 -0.09 3.56 4.15 -0.85 -2.49 115.11 119.96 1k2t h GLN 628 Ca 0.11 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 1k2t h GLN 628 Cb 0.05 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1k2t h GLN 628 CO -0.02 0.13 -0.36 0.00 -1.93 0.00 0.00 178.83 176.66 1k2t h ALA 629 N 1.15 1.23 -0.65 3.38 0.00 -0.87 -3.03 119.26 120.46 1k2t h ALA 629 Ca 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1k2t h ALA 629 Cb 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1k2t h ALA 629 CO -0.10 0.53 0.36 1.25 0.00 0.00 0.00 179.25 181.29 1k2t h LEU 630 N 0.16 0.81 -0.57 0.00 5.85 -0.69 -1.54 115.31 119.34 1k2t h LEU 630 Ca 0.02 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1k2t h LEU 630 Cb 0.71 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1k2t h LEU 630 CO 0.05 0.67 0.24 0.58 -0.34 0.00 0.00 178.44 179.64 1k2t h VAL 631 N 0.89 1.22 -0.42 1.05 2.07 -1.35 -1.28 116.25 118.43 1k2t h VAL 631 Ca 0.23 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1k2t h VAL 631 Cb 0.03 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1k2t h VAL 631 CO -0.04 0.26 0.06 -0.33 0.02 0.00 0.00 177.57 177.53 1k2t h GLU 632 N 0.77 0.70 -0.88 1.57 4.39 -1.48 0.24 114.58 119.89 1k2t h GLU 632 Ca 0.19 -0.20 0.05 0.00 0.34 0.00 0.00 59.36 59.74 1k2t h GLU 632 Cb 0.17 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 1k2t h GLU 632 CO -0.02 0.75 0.58 0.82 -1.16 0.00 0.00 179.01 179.98 1k2t h ILE 633 N 0.55 1.12 0.00 3.13 2.04 -1.05 0.25 117.51 123.54 1k2t h ILE 633 Ca 0.13 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.51 1k2t h ILE 633 Cb 0.39 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1k2t h ILE 633 CO 0.01 0.19 -0.54 0.78 0.00 0.00 0.00 178.15 178.59 1k2t h ASN 634 N 1.06 0.00 -0.06 1.72 4.21 -0.85 -2.45 115.58 119.22 1k2t h ASN 634 Ca 0.36 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.87 1k2t h ASN 634 Cb 0.09 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1k2t h ASN 634 CO -0.12 0.54 0.02 0.40 -1.29 0.00 0.00 177.43 176.98 1k2t h ILE 635 N 0.00 1.18 -0.84 2.81 1.08 0.15 -2.86 117.51 119.04 1k2t h ILE 635 Ca -0.01 -0.56 0.03 0.00 -0.39 0.00 0.00 64.86 63.93 1k2t h ILE 635 Cb 1.29 1.45 -0.05 0.00 -3.07 0.00 0.00 36.82 36.44 1k2t h ILE 635 CO 0.07 0.15 0.54 0.00 -0.69 0.00 0.00 178.15 178.23 1k2t h ALA 636 N 0.81 1.09 0.28 1.87 0.00 -0.53 -1.29 119.26 121.48 1k2t h ALA 636 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1k2t h ALA 636 Cb 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1k2t h ALA 636 CO -0.00 0.40 -0.14 0.28 0.00 0.00 0.00 179.25 179.79 1k2t h VAL 637 N 1.07 0.76 0.16 0.00 2.07 -1.40 -1.02 116.25 117.89 1k2t h VAL 637 Ca 0.33 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1k2t h VAL 637 Cb -0.03 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1k2t h VAL 637 CO -0.10 0.07 -0.21 -0.07 0.02 0.00 0.00 177.57 177.27 1k2t h LEU 638 N -0.54 -0.58 -0.31 2.57 3.38 -1.40 -1.97 115.31 116.46 1k2t h LEU 638 Ca -0.04 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1k2t h LEU 638 Cb 0.40 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 1k2t h LEU 638 CO 0.06 -0.30 -0.25 0.22 0.09 0.00 0.00 178.44 178.26 1k2t h TYR 639 N -0.43 -0.66 0.37 1.13 3.20 -1.22 -1.33 116.97 118.02 1k2t h TYR 639 Ca 0.01 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1k2t h TYR 639 Cb 0.42 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 1k2t h TYR 639 CO -0.18 -0.33 -0.44 0.77 -1.64 0.00 0.00 178.16 176.35 1k2t h SER 640 N -0.22 -1.23 -0.88 -2.11 0.02 -0.95 0.18 113.55 108.36 1k2t h SER 640 Ca 0.16 0.10 0.22 0.00 -0.84 0.00 0.00 61.79 61.43 1k2t h SER 640 Cb 0.47 0.42 -0.13 0.00 0.14 0.00 0.00 62.40 63.30 1k2t h SER 640 CO -0.44 -0.55 0.35 -0.26 -1.14 0.00 0.00 176.83 174.78 1k2t h PHE 641 N -0.82 0.57 -0.44 3.45 -1.00 -1.14 0.26 116.94 117.82 1k2t h PHE 641 Ca -0.04 0.04 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 1k2t h PHE 641 Cb 0.73 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 1k2t h PHE 641 CO -0.27 -0.08 -0.11 1.96 -1.61 0.00 0.00 178.31 178.20 1k2t h GLN 642 N 0.36 0.79 0.00 1.51 4.20 -0.84 0.57 115.11 121.70 1k2t h GLN 642 Ca 0.54 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 1k2t h GLN 642 Cb 1.03 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 1k2t h GLN 642 CO -0.54 0.88 -0.14 0.77 -0.67 0.00 0.00 178.83 179.12 1k2t h SER 643 N 0.72 0.00 -0.55 1.46 0.02 0.16 -1.58 113.55 113.78 1k2t h SER 643 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1k2t h SER 643 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1k2t h SER 643 CO 0.04 0.14 0.00 0.47 -1.14 0.00 0.00 176.83 176.34 1k2t n ASP 644 N -3.48 3.87 -4.01 3.07 8.00 -0.65 -4.96 116.55 118.39 1k2t n ASP 644 Ca -0.01 -2.22 -0.32 0.00 0.71 0.00 0.00 54.79 52.95 1k2t n ASP 644 Cb 0.29 -0.44 0.01 0.00 -0.02 0.00 0.00 41.12 40.96 1k2t n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1k2t n LYS 645 N 0.95 -4.67 -3.85 -1.24 5.02 -0.59 -4.95 118.16 108.82 1k2t n LYS 645 Ca 0.21 0.52 -0.36 0.00 -2.02 0.00 0.00 58.31 56.66 1k2t n LYS 645 Cb 0.66 -5.31 -0.12 0.00 -0.02 0.00 0.00 35.03 30.24 1k2t n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k2t s VAL 646 N -3.34 4.50 0.44 -0.18 1.01 0.13 -4.16 120.40 118.79 1k2t s VAL 646 Ca 0.63 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.28 1k2t s VAL 646 Cb -0.33 -3.08 -0.12 0.00 0.00 0.00 0.00 36.38 32.86 1k2t s VAL 646 CO 0.86 0.37 0.60 0.41 0.00 0.00 0.00 175.10 177.35 1k2t n THR 647 N 4.48 1.92 -3.63 3.92 -1.04 0.46 -4.33 114.28 116.05 1k2t n THR 647 Ca -0.16 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.32 1k2t n THR 647 Cb 0.52 -0.63 -0.04 0.00 -1.82 0.00 0.00 70.33 68.35 1k2t n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1k2t s ILE 648 N -1.48 0.00 0.03 12.58 2.07 -1.26 -4.62 121.20 128.53 1k2t s ILE 648 Ca 0.64 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.92 1k2t s ILE 648 Cb -0.58 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 40.99 1k2t s ILE 648 CO 0.57 0.00 -0.12 0.54 -1.91 0.00 0.00 174.94 174.02 1k2t s VAL 649 N -1.15 0.97 0.59 4.00 0.11 -0.68 -4.98 120.40 119.27 1k2t s VAL 649 Ca 0.08 -0.90 -0.05 0.00 -2.93 0.00 0.00 61.98 58.18 1k2t s VAL 649 Cb -0.01 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 1k2t s VAL 649 CO -0.06 -0.01 0.88 1.51 -3.33 0.00 0.00 175.10 174.09 1k2t s ASP 650 N -1.02 5.46 0.57 3.54 -4.77 -1.26 0.55 116.67 119.73 1k2t s ASP 650 Ca 0.01 0.56 0.35 0.00 -3.30 0.00 0.00 52.55 50.16 1k2t s ASP 650 Cb -0.07 -1.51 1.58 0.00 -1.09 0.00 0.00 42.92 41.82 1k2t s ASP 650 CO 0.01 -1.12 2.07 1.12 0.70 0.00 0.00 175.17 177.95 1k2t h HIS 651 N -0.16 0.00 0.02 2.11 2.07 -1.98 -1.29 115.15 115.93 1k2t h HIS 651 Ca -0.45 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1k2t h HIS 651 Cb 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 1k2t h HIS 651 CO 0.44 0.03 -0.01 0.45 -3.07 0.00 0.00 177.93 175.77 1k2t h HIS 652 N 0.00 -0.02 0.00 6.12 3.86 -1.95 -2.49 115.15 120.66 1k2t h HIS 652 Ca -0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1k2t h HIS 652 Cb 0.40 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1k2t h HIS 652 CO 0.00 0.69 -0.00 0.77 0.86 0.00 0.00 177.93 180.25 1k2t h SER 653 N -0.78 -0.00 -0.67 2.45 0.02 -1.94 -1.88 113.55 110.75 1k2t h SER 653 Ca -0.00 -0.16 0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1k2t h SER 653 Cb 0.72 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 1k2t h SER 653 CO 0.00 0.16 0.36 0.00 -1.14 0.00 0.00 176.83 176.22 1k2t h ALA 654 N 0.83 0.90 -0.01 3.77 0.00 -1.34 -0.30 119.26 123.11 1k2t h ALA 654 Ca -0.00 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1k2t h ALA 654 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1k2t h ALA 654 CO 0.00 0.03 -0.84 1.79 0.00 0.00 0.00 179.25 180.23 1k2t h THR 655 N 0.66 1.48 -0.36 0.00 1.35 -1.43 -1.71 112.91 112.90 1k2t h THR 655 Ca 0.31 -2.53 -0.08 0.00 -0.55 0.00 0.00 66.41 63.56 1k2t h THR 655 Cb 0.22 2.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 1k2t h THR 655 CO -0.20 0.74 -0.09 -0.08 -0.25 0.00 0.00 175.52 175.64 1k2t h GLU 656 N 0.12 0.70 -0.72 4.72 4.81 -1.00 -1.91 114.58 121.30 1k2t h GLU 656 Ca -0.04 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 1k2t h GLU 656 Cb 1.45 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 1k2t h GLU 656 CO 0.13 0.86 0.35 0.77 -0.73 0.00 0.00 179.01 180.39 1k2t h SER 657 N 0.49 0.94 -0.59 1.04 0.02 -1.04 -2.56 113.55 111.86 1k2t h SER 657 Ca 0.09 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1k2t h SER 657 Cb 0.61 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1k2t h SER 657 CO 0.04 0.81 0.35 0.15 -1.14 0.00 0.00 176.83 177.04 1k2t h PHE 658 N 1.01 0.66 -0.21 3.45 3.57 -1.03 0.14 116.94 124.53 1k2t h PHE 658 Ca 0.25 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.81 1k2t h PHE 658 Cb 0.11 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1k2t h PHE 658 CO 0.01 0.37 -0.01 0.82 -2.23 0.00 0.00 178.31 177.27 1k2t h ILE 659 N 0.69 0.84 -0.77 1.41 1.08 -0.99 0.76 117.51 120.54 1k2t h ILE 659 Ca 0.24 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.69 1k2t h ILE 659 Cb 0.05 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 1k2t h ILE 659 CO -0.11 0.01 0.49 0.11 -0.69 0.00 0.00 178.15 177.95 1k2t h LYS 660 N 0.06 1.03 -0.48 2.37 1.57 -1.07 -0.64 116.57 119.41 1k2t h LYS 660 Ca 0.10 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1k2t h LYS 660 Cb 0.13 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1k2t h LYS 660 CO -0.18 0.70 0.23 1.25 -0.57 0.00 0.00 179.45 180.89 1k2t h HIS 661 N 1.04 0.69 0.21 -1.35 2.76 0.28 -1.79 115.15 117.00 1k2t h HIS 661 Ca 0.28 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1k2t h HIS 661 Cb -0.08 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.65 1k2t h HIS 661 CO -0.01 0.55 -0.21 1.98 -1.30 0.00 0.00 177.93 178.94 1k2t h MET 662 N 0.63 -0.44 -0.98 5.26 1.85 0.11 0.03 114.93 121.40 1k2t h MET 662 Ca 0.17 0.03 0.06 0.00 -0.61 0.00 0.00 59.70 59.35 1k2t h MET 662 Cb 0.12 0.10 -0.06 0.00 0.43 0.00 0.00 31.60 32.18 1k2t h MET 662 CO -0.02 -0.29 0.63 0.93 -0.40 0.00 0.00 176.91 177.76 1k2t h GLU 663 N -0.45 1.11 -0.60 0.39 5.08 -1.06 -0.23 114.58 118.82 1k2t h GLU 663 Ca -0.00 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1k2t h GLU 663 Cb 0.43 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1k2t h GLU 663 CO -0.05 0.74 0.16 -0.97 -1.00 0.00 0.00 179.01 177.88 1k2t h ASN 664 N 1.15 0.86 0.13 1.42 -0.00 -0.86 -2.04 115.58 116.24 1k2t h ASN 664 Ca 0.42 -0.16 -0.11 0.00 -0.00 0.00 0.00 56.30 56.45 1k2t h ASN 664 Cb 0.15 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 38.24 1k2t h ASN 664 CO -0.16 0.83 -0.39 -0.33 -0.00 0.00 0.00 177.43 177.38 1k2t h GLU 665 N 0.88 0.34 -0.41 6.67 4.39 0.65 -2.18 114.58 124.92 1k2t h GLU 665 Ca 0.19 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1k2t h GLU 665 Cb 0.30 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1k2t h GLU 665 CO -0.00 0.68 -0.24 1.88 -1.16 0.00 0.00 179.01 180.17 1k2t h TYR 666 N 0.29 0.95 0.00 4.33 -1.99 -0.63 0.32 116.97 120.25 1k2t h TYR 666 Ca 0.03 -0.23 -0.05 0.00 2.00 0.00 0.00 58.73 60.48 1k2t h TYR 666 Cb 0.81 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.31 1k2t h TYR 666 CO 0.02 0.98 -0.24 0.07 -0.00 0.00 0.00 178.16 178.99 1k2t h ARG 667 N 0.72 0.00 0.00 4.88 0.11 -1.15 -2.11 114.38 116.83 1k2t h ARG 667 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1k2t h ARG 667 Cb 0.77 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.85 1k2t h ARG 667 CO 0.06 0.24 -0.55 0.00 0.10 0.00 0.00 179.97 179.83 1k2t n ARG 669 N -1.29 0.71 -0.60 0.00 0.63 0.11 -5.01 116.66 111.20 1k2t n ARG 669 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1k2t n ARG 669 Cb 0.09 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 32.06 1k2t n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k2t n GLY 670 N 2.31 0.65 0.00 5.14 0.00 -0.79 -4.50 105.19 107.99 1k2t n GLY 670 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1k2t n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2t n GLY 671 N -2.60 1.14 3.04 -0.02 0.00 -1.15 -0.18 105.19 105.41 1k2t n GLY 671 Ca 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 1k2t n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2t n PRO 673 N 5.18 2.74 -3.75 0.00 -0.04 -1.26 -4.59 135.00 133.28 1k2t n PRO 673 Ca 0.05 0.98 -0.12 0.00 -0.04 0.00 0.00 63.50 64.36 1k2t n PRO 673 Cb 0.52 -2.78 -0.11 0.00 -0.04 0.00 0.00 33.50 31.08 1k2t n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2t s ALA 674 N 0.30 -0.76 -0.51 0.55 0.00 0.57 -4.16 121.76 117.75 1k2t s ALA 674 Ca 0.67 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 53.45 1k2t s ALA 674 Cb -0.49 -0.58 0.11 0.00 0.00 0.00 0.00 23.12 22.16 1k2t s ALA 674 CO 0.44 -0.17 0.44 0.34 0.00 0.00 0.00 175.76 176.81 1k2t s ASP 675 N 0.49 6.06 0.25 0.00 -1.08 0.83 -3.46 116.67 119.77 1k2t s ASP 675 Ca -0.03 -1.71 -0.04 0.00 -0.52 0.00 0.00 52.55 50.26 1k2t s ASP 675 Cb -0.04 -2.16 0.49 0.00 -1.46 0.00 0.00 42.92 39.75 1k2t s ASP 675 CO -0.03 -0.77 1.71 -0.25 0.52 0.00 0.00 175.17 176.35 1k2t h TRP 676 N 8.76 0.44 -0.67 -5.34 7.01 -1.93 0.14 115.95 124.36 1k2t h TRP 676 Ca -0.28 0.04 0.11 0.00 2.11 0.00 0.00 58.89 60.88 1k2t h TRP 676 Cb 1.10 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 28.04 1k2t h TRP 676 CO 0.69 -0.00 0.45 0.28 -2.79 0.00 0.00 178.44 177.06 1k2t h VAL 677 N 0.37 0.87 0.00 2.65 2.07 -1.93 -2.20 116.25 118.08 1k2t h VAL 677 Ca 0.43 -0.15 -0.34 0.00 0.82 0.00 0.00 66.70 67.46 1k2t h VAL 677 Cb 0.70 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1k2t h VAL 677 CO -0.45 0.08 -2.15 0.79 0.02 0.00 0.00 177.57 175.86 1k2t n TRP 678 N -4.47 0.36 -0.13 1.57 7.02 -0.63 -4.45 117.44 116.71 1k2t n TRP 678 Ca 0.12 0.13 -0.12 0.00 -1.02 0.00 0.00 57.50 56.60 1k2t n TRP 678 Cb 0.42 -1.07 -0.02 0.00 -2.42 0.00 0.00 31.31 28.22 1k2t n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1k2t h ILE 679 N 0.00 1.28 -2.93 -0.99 1.08 -0.79 -3.43 117.51 111.73 1k2t h ILE 679 Ca -0.46 -1.41 -0.53 0.00 -0.39 0.00 0.00 64.86 62.07 1k2t h ILE 679 Cb 2.16 1.34 0.02 0.00 -3.07 0.00 0.00 36.82 37.27 1k2t h ILE 679 CO 0.05 0.47 0.80 -0.69 -0.69 0.00 0.00 178.15 178.08 1k2t s VAL 680 N -4.54 3.37 0.72 1.67 1.01 -0.85 -4.91 120.40 116.88 1k2t s VAL 680 Ca -0.12 0.91 -0.16 0.00 0.00 0.00 0.00 61.98 62.61 1k2t s VAL 680 Cb 0.10 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.93 1k2t s VAL 680 CO 0.85 0.04 1.26 -2.84 0.00 0.00 0.00 175.10 174.41 1k2t s PRO 681 N 1.69 2.13 0.00 2.72 0.02 -1.26 -4.87 135.00 135.42 1k2t s PRO 681 Ca 0.66 1.93 0.05 0.00 0.02 0.00 0.00 61.00 63.66 1k2t s PRO 681 Cb -0.36 -1.81 0.32 0.00 0.02 0.00 0.00 34.50 32.67 1k2t s PRO 681 CO 0.29 -1.89 0.82 -0.35 -0.33 0.00 0.00 177.00 175.55 1k2t n PRO 682 N -2.54 0.54 -3.71 5.54 -0.04 -1.26 -4.26 135.00 129.27 1k2t n PRO 682 Ca 0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1k2t n PRO 682 Cb 0.49 -1.15 -0.07 0.00 -0.04 0.00 0.00 33.50 32.73 1k2t n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2t s MET 683 N -2.00 0.89 -0.69 0.54 0.23 -1.26 -4.92 119.30 112.09 1k2t s MET 683 Ca 0.08 -0.50 0.00 0.00 -1.03 0.00 0.00 55.69 54.24 1k2t s MET 683 Cb 0.04 0.39 0.00 0.00 -1.53 0.00 0.00 34.83 33.73 1k2t s MET 683 CO 0.06 -0.30 0.00 0.43 -2.03 0.00 0.00 175.02 173.18 1k2t n SER 684 N 0.40 -2.91 -0.15 -1.18 7.64 -1.26 -4.85 113.62 111.30 1k2t n SER 684 Ca -0.18 0.30 -0.04 0.00 1.01 0.00 0.00 58.87 59.96 1k2t n SER 684 Cb 0.60 -2.52 -0.04 0.00 -1.01 0.00 0.00 64.21 61.24 1k2t n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k2t n GLY 685 N -0.70 -2.04 0.00 0.23 0.00 -1.26 -1.21 105.19 100.21 1k2t n GLY 685 Ca -0.10 0.64 0.09 0.00 0.00 0.00 0.00 46.02 46.66 1k2t n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2t n SER 686 N -3.84 0.00 -1.60 1.61 3.41 -1.26 -2.57 113.62 109.37 1k2t n SER 686 Ca 0.01 -0.09 0.07 0.00 -0.26 0.00 0.00 58.87 58.59 1k2t n SER 686 Cb 0.10 -0.24 0.34 0.00 -0.26 0.00 0.00 64.21 64.15 1k2t n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1k2t n ILE 687 N -1.24 2.08 -4.83 -1.33 -5.35 -0.35 -4.81 119.36 103.53 1k2t n ILE 687 Ca 0.10 -1.13 -0.28 0.00 -0.27 0.00 0.00 62.75 61.17 1k2t n ILE 687 Cb 0.14 -0.17 -0.15 0.00 -1.74 0.00 0.00 39.64 37.72 1k2t n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1k2t s THR 688 N -2.25 1.86 0.50 7.28 -4.23 -1.06 -5.02 115.64 112.71 1k2t s THR 688 Ca 0.46 -1.22 0.17 0.00 -1.18 0.00 0.00 61.69 59.91 1k2t s THR 688 Cb 0.33 -1.59 0.31 0.00 1.34 0.00 0.00 72.50 72.89 1k2t s THR 688 CO 0.17 0.32 2.08 1.55 -0.54 0.00 0.00 174.62 178.19 1k2t h PRO 689 N 4.98 0.13 0.00 3.99 0.13 -1.87 -2.91 132.00 136.45 1k2t h PRO 689 Ca -0.44 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1k2t h PRO 689 Cb 1.15 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1k2t h PRO 689 CO 0.44 0.09 -0.04 -0.39 -0.23 0.00 0.00 178.00 177.87 1k2t h VAL 690 N 0.14 0.51 -0.84 1.56 -1.51 -1.89 -2.35 116.25 111.87 1k2t h VAL 690 Ca 0.12 -0.18 -0.02 0.00 -1.23 0.00 0.00 66.70 65.39 1k2t h VAL 690 Cb 0.31 1.12 -0.04 0.00 -2.13 0.00 0.00 31.29 30.55 1k2t h VAL 690 CO -0.02 0.04 0.46 0.15 -1.23 0.00 0.00 177.57 176.97 1k2t h PHE 691 N 0.00 1.16 -0.19 5.19 3.57 -1.71 -2.42 116.94 122.54 1k2t h PHE 691 Ca -0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1k2t h PHE 691 Cb 0.11 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1k2t h PHE 691 CO 0.00 0.81 0.00 0.72 -2.23 0.00 0.00 178.31 177.61 1k2t n HIS 692 N -4.38 0.25 -3.57 0.41 8.25 -0.89 -4.85 115.22 110.44 1k2t n HIS 692 Ca 0.08 -0.12 -0.39 0.00 -0.26 0.00 0.00 57.72 57.03 1k2t n HIS 692 Cb 0.10 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.10 1k2t n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k2t s GLN 693 N -1.75 3.75 0.35 -0.41 2.00 -0.91 -1.33 119.66 121.34 1k2t s GLN 693 Ca 0.29 -0.46 -0.27 0.00 -2.00 0.00 0.00 55.36 52.91 1k2t s GLN 693 Cb 0.15 -3.71 -0.09 0.00 0.80 0.00 0.00 33.01 30.16 1k2t s GLN 693 CO 0.23 -0.29 1.18 -1.21 -0.50 0.00 0.00 175.29 174.70 1k2t s GLU 694 N 1.74 4.31 0.14 1.67 2.02 -0.53 -5.00 118.70 123.05 1k2t s GLU 694 Ca 0.07 1.92 0.04 0.00 0.02 0.00 0.00 54.97 57.02 1k2t s GLU 694 Cb -0.17 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 1k2t s GLU 694 CO 0.10 -0.12 -0.10 -1.64 0.02 0.00 0.00 175.26 173.52 1k2t s MET 695 N -1.92 1.04 -0.13 1.61 -1.94 -1.26 -4.62 119.30 112.07 1k2t s MET 695 Ca 0.51 -1.44 0.02 0.00 -1.71 0.00 0.00 55.69 53.06 1k2t s MET 695 Cb -0.33 -0.58 0.01 0.00 2.01 0.00 0.00 34.83 35.94 1k2t s MET 695 CO 0.43 0.06 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.81 1k2t s LEU 696 N -3.16 1.87 -0.18 -0.03 1.43 -1.25 -4.96 118.68 112.41 1k2t s LEU 696 Ca 0.16 -0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1k2t s LEU 696 Cb 0.03 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 1k2t s LEU 696 CO 0.00 0.02 -0.00 0.21 0.23 0.00 0.00 176.35 176.81 1k2t s ASN 697 N 1.05 4.95 0.15 2.29 3.04 -1.22 -0.32 114.94 124.87 1k2t s ASN 697 Ca -0.04 -0.13 -0.22 0.00 0.04 0.00 0.00 52.86 52.52 1k2t s ASN 697 Cb -0.15 -1.83 0.06 0.00 -1.54 0.00 0.00 41.25 37.79 1k2t s ASN 697 CO -0.04 0.12 0.56 -0.72 -3.04 0.00 0.00 177.10 173.98 1k2t s TYR 698 N 0.67 -0.47 -0.16 0.43 -0.85 -1.26 -4.96 117.35 110.75 1k2t s TYR 698 Ca -0.00 0.24 -0.10 0.00 -0.52 0.00 0.00 57.07 56.68 1k2t s TYR 698 Cb -0.14 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.65 1k2t s TYR 698 CO 0.02 -0.82 0.18 1.03 -1.52 0.00 0.00 175.55 174.44 1k2t s ARG 699 N -3.76 4.03 0.03 -3.49 0.52 -1.26 -4.83 118.95 110.19 1k2t s ARG 699 Ca 0.01 -0.10 0.05 0.00 -0.52 0.00 0.00 55.73 55.17 1k2t s ARG 699 Cb -0.00 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 1k2t s ARG 699 CO -0.13 0.41 -0.14 -0.51 0.02 0.00 0.00 175.30 174.95 1k2t s LEU 700 N 0.01 2.15 0.17 2.53 1.43 -1.26 -3.51 118.68 120.21 1k2t s LEU 700 Ca 0.12 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1k2t s LEU 700 Cb -0.12 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1k2t s LEU 700 CO 0.01 0.05 0.01 0.42 0.23 0.00 0.00 176.35 177.07 1k2t s THR 701 N -0.78 3.78 0.99 5.49 -4.23 -1.26 -4.22 115.64 115.40 1k2t s THR 701 Ca 0.02 -1.40 -0.13 0.00 -1.18 0.00 0.00 61.69 59.00 1k2t s THR 701 Cb -0.08 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 70.97 1k2t s THR 701 CO 0.01 -0.11 0.62 -2.65 -0.54 0.00 0.00 174.62 171.95 1k2t n PRO 702 N -0.14 -0.75 -3.54 3.99 -0.02 -1.26 -5.00 135.00 128.28 1k2t n PRO 702 Ca -0.09 -0.17 -0.11 0.00 -2.02 0.00 0.00 63.50 61.10 1k2t n PRO 702 Cb 0.55 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1k2t n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1k2t s SER 703 N -2.21 -0.42 -0.21 2.55 1.04 -0.84 -4.03 113.70 109.58 1k2t s SER 703 Ca 0.61 -0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.79 1k2t s SER 703 Cb -0.21 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1k2t s SER 703 CO 0.64 -0.96 0.05 -0.36 0.98 0.00 0.00 173.24 173.59 1k2t s PHE 704 N -3.79 3.13 0.29 5.02 0.40 -1.26 -0.56 117.98 121.22 1k2t s PHE 704 Ca 0.03 -0.20 0.10 0.00 -0.60 0.00 0.00 56.93 56.26 1k2t s PHE 704 Cb -0.00 -2.12 -0.06 0.00 0.51 0.00 0.00 43.02 41.35 1k2t s PHE 704 CO -0.11 -0.10 -0.15 -1.21 0.70 0.00 0.00 175.22 174.36 1k2t s GLU 705 N 0.89 1.68 0.58 0.44 0.41 0.14 -4.92 118.70 117.92 1k2t s GLU 705 Ca 0.03 -1.81 -0.09 0.00 -0.41 0.00 0.00 54.97 52.69 1k2t s GLU 705 Cb -0.14 -1.62 -0.04 0.00 -1.78 0.00 0.00 34.13 30.55 1k2t s GLU 705 CO 0.02 0.22 0.96 0.71 -0.49 0.00 0.00 175.26 176.69 1k2t s TYR 706 N -2.64 3.61 0.06 1.61 4.12 -1.26 -0.39 117.35 122.45 1k2t s TYR 706 Ca 0.30 1.16 -0.10 0.00 0.02 0.00 0.00 57.07 58.45 1k2t s TYR 706 Cb -0.01 -2.60 0.00 0.00 -1.52 0.00 0.00 41.96 37.83 1k2t s TYR 706 CO 0.14 -0.57 0.20 1.14 0.02 0.00 0.00 175.55 176.48 1k2t s GLN 707 N -5.06 0.75 0.70 -0.62 -2.07 -1.26 -4.70 119.66 107.40 1k2t s GLN 707 Ca 0.53 -0.73 -0.16 0.00 -1.82 0.00 0.00 55.36 53.18 1k2t s GLN 707 Cb -0.11 0.31 0.02 0.00 -1.09 0.00 0.00 33.01 32.14 1k2t s GLN 707 CO 0.51 -0.23 1.27 -2.30 -1.32 0.00 0.00 175.29 173.23 1k2t n PRO 708 N 0.43 0.80 -1.90 9.60 -0.02 -1.26 -4.90 135.00 137.76 1k2t n PRO 708 Ca -0.18 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 1k2t n PRO 708 Cb 0.60 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1k2t n PRO 708 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1k2t s ASP 709 N -1.63 6.52 0.39 2.55 1.01 -1.26 -4.88 116.67 119.36 1k2t s ASP 709 Ca 0.80 2.79 0.08 0.00 0.71 0.00 0.00 52.55 56.94 1k2t s ASP 709 Cb -0.35 -2.63 0.84 0.00 1.01 0.00 0.00 42.92 41.80 1k2t s ASP 709 CO 0.44 -0.81 1.97 1.55 0.21 0.00 0.00 175.17 178.53 1k2t h PRO 710 N 5.12 0.61 0.00 8.23 0.13 -1.91 -2.07 132.00 142.10 1k2t h PRO 710 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1k2t h PRO 710 Cb 1.22 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1k2t h PRO 710 CO 0.80 0.40 0.00 -2.67 -0.23 0.00 0.00 178.00 176.30 1k2t n TRP 711 N -4.48 0.34 0.84 1.56 2.14 -1.26 -0.49 117.44 116.09 1k2t n TRP 711 Ca 0.10 0.14 0.10 0.00 2.07 0.00 0.00 57.50 59.91 1k2t n TRP 711 Cb 0.27 -0.73 -0.09 0.00 -0.81 0.00 0.00 31.31 29.95 1k2t n TRP 711 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1k2t n ASN 712 N -1.82 0.81 -0.01 -0.67 5.03 -0.78 -4.55 115.26 113.27 1k2t n ASN 712 Ca 0.02 -0.76 -0.01 0.00 0.87 0.00 0.00 54.58 54.70 1k2t n ASN 712 Cb 0.16 1.05 -0.02 0.00 -1.02 0.00 0.00 39.78 39.95 1k2t n ASN 712 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1k2t n THR 713 N -1.63 0.15 -1.61 3.41 -2.24 -0.94 -5.06 114.28 106.36 1k2t n THR 713 Ca 0.03 -0.09 -0.47 0.00 -2.27 0.00 0.00 64.05 61.25 1k2t n THR 713 Cb 0.37 -0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 67.65 1k2t n THR 713 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1k2t n HIS 714 N -2.12 1.63 -3.31 4.78 -0.00 0.36 -4.94 115.22 111.62 1k2t n HIS 714 Ca -0.04 0.59 -0.45 0.00 -0.00 0.00 0.00 57.72 57.82 1k2t n HIS 714 Cb 0.57 -2.35 -0.06 0.00 -0.00 0.00 0.00 29.99 28.15 1k2t n HIS 714 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1k2t s VAL 715 N -0.19 5.13 0.46 3.57 1.01 -1.26 -5.01 120.40 124.11 1k2t s VAL 715 Ca 0.70 -1.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1k2t s VAL 715 Cb -0.77 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 31.30 1k2t s VAL 715 CO 0.52 -0.73 1.37 0.26 0.00 0.00 0.00 175.10 176.51 1k2t s TRP 716 N 1.88 2.52 -2.69 5.22 0.52 -1.26 -4.90 118.94 120.24 1k2t s TRP 716 Ca 0.06 1.33 0.22 0.00 0.02 0.00 0.00 56.10 57.73 1k2t s TRP 716 Cb -0.25 -3.81 0.17 0.00 -1.15 0.00 0.00 33.47 28.43 1k2t s TRP 716 CO 0.07 -2.66 1.18 1.63 0.02 0.00 0.00 176.95 177.18