#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um2 s PHE 285 N 0.00 1.68 1.09 1.43 0.40 0.84 -2.07 117.98 121.36 1um2 s PHE 285 Ca 0.00 -1.57 -0.15 0.00 -0.60 0.00 0.00 56.93 54.61 1um2 s PHE 285 Cb 0.00 -0.76 0.15 0.00 0.51 0.00 0.00 43.02 42.92 1um2 s PHE 285 CO 0.00 -0.76 0.49 0.00 0.70 0.00 0.00 175.22 175.66 1um2 n ALA 286 N -0.61 -3.17 -2.07 5.36 0.00 -0.79 0.21 120.51 119.43 1um2 n ALA 286 Ca 0.05 -1.06 -0.35 0.00 0.00 0.00 0.00 53.44 52.08 1um2 n ALA 286 Cb 0.63 -1.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 1um2 n ALA 286 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1um2 s LYS 287 N -3.88 4.20 0.00 0.00 2.20 -1.26 -3.81 119.74 117.18 1um2 s LYS 287 Ca 0.61 0.85 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 1um2 s LYS 287 Cb -0.19 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1um2 s LYS 287 CO 0.65 0.28 0.00 0.41 -0.36 0.00 0.00 175.35 176.34 1um2 n GLY 288 N 0.28 1.08 3.64 5.54 0.00 -1.26 -5.00 105.19 109.48 1um2 n GLY 288 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1um2 n GLY 288 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1um2 s THR 289 N -2.46 3.23 0.25 2.61 2.01 -1.25 -4.71 115.64 115.33 1um2 s THR 289 Ca 0.00 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 1um2 s THR 289 Cb 0.00 -3.20 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 1um2 s THR 289 CO 0.00 -0.06 1.08 0.20 -0.69 0.00 0.00 174.62 175.15 1um2 s ASN 290 N 4.93 7.32 0.34 3.53 0.01 -1.26 0.12 114.94 129.93 1um2 s ASN 290 Ca 0.85 2.19 0.09 0.00 -0.71 0.00 0.00 52.86 55.28 1um2 s ASN 290 Cb -0.36 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.62 1um2 s ASN 290 CO 0.36 -0.12 -0.00 -0.69 -1.51 0.00 0.00 177.10 175.14 1um2 s VAL 291 N -0.98 2.60 -0.28 1.60 1.01 0.15 -2.55 120.40 121.96 1um2 s VAL 291 Ca 0.45 -2.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.35 1um2 s VAL 291 Cb -0.31 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1um2 s VAL 291 CO 0.39 -0.21 0.08 -0.22 0.00 0.00 0.00 175.10 175.14 1um2 s LEU 292 N -3.70 3.72 0.43 3.92 2.96 -0.94 -1.28 118.68 123.79 1um2 s LEU 292 Ca 0.34 -0.50 -0.19 0.00 -0.22 0.00 0.00 54.13 53.56 1um2 s LEU 292 Cb -0.00 -1.91 -0.10 0.00 0.50 0.00 0.00 46.19 44.68 1um2 s LEU 292 CO 0.19 -0.14 0.92 -0.04 -1.32 0.00 0.00 176.35 175.96 1um2 s MET 293 N 1.56 4.14 0.12 1.98 -1.94 0.32 -0.58 119.30 124.89 1um2 s MET 293 Ca 0.04 1.01 0.10 0.00 -1.71 0.00 0.00 55.69 55.13 1um2 s MET 293 Cb -0.16 -2.22 0.51 0.00 2.01 0.00 0.00 34.83 34.97 1um2 s MET 293 CO 0.03 -0.04 1.32 0.00 -0.01 0.00 0.00 175.02 176.32 1um2 n ALA 294 N -0.76 1.16 0.49 3.03 0.00 -0.94 -1.14 120.51 122.35 1um2 n ALA 294 Ca 0.06 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1um2 n ALA 294 Cb 0.54 -1.16 0.19 0.00 0.00 0.00 0.00 19.45 19.03 1um2 n ALA 294 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1um2 h ASP 295 N 0.00 0.00 0.00 0.00 2.03 -1.92 -3.46 116.42 113.07 1um2 h ASP 295 Ca 0.00 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1um2 h ASP 295 Cb 0.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1um2 h ASP 295 CO 0.00 0.06 0.00 0.61 -1.03 0.00 0.00 179.24 178.88 1um2 n GLY 296 N 1.29 0.48 3.61 7.15 0.00 -0.29 -4.87 105.19 112.56 1um2 n GLY 296 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1um2 n GLY 296 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1um2 s SER 297 N -0.97 2.24 -0.14 1.61 1.04 -1.26 -4.68 113.70 111.55 1um2 s SER 297 Ca 0.00 1.73 -0.01 0.00 0.48 0.00 0.00 55.95 58.16 1um2 s SER 297 Cb 0.00 -2.36 -0.01 0.00 0.10 0.00 0.00 66.02 63.75 1um2 s SER 297 CO 0.00 -3.45 -0.12 -0.63 0.98 0.00 0.00 173.24 170.03 1um2 s ILE 298 N -2.64 3.13 -0.01 -1.02 1.01 -1.26 -0.52 121.20 119.89 1um2 s ILE 298 Ca 0.67 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1um2 s ILE 298 Cb -0.22 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 39.92 1um2 s ILE 298 CO 0.60 0.51 0.00 -0.70 0.00 0.00 0.00 174.94 175.36 1um2 s GLU 299 N 0.48 0.05 0.55 2.79 2.12 -0.41 -4.93 118.70 119.35 1um2 s GLU 299 Ca -0.08 0.03 -0.21 0.00 0.36 0.00 0.00 54.97 55.06 1um2 s GLU 299 Cb -0.16 -0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.06 1um2 s GLU 299 CO 0.04 -0.03 1.27 0.00 -0.54 0.00 0.00 175.26 176.00 1um2 h ILE 301 N 1.25 0.51 0.00 0.00 6.09 -0.60 -3.23 117.51 121.52 1um2 h ILE 301 Ca -0.50 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 1um2 h ILE 301 Cb 1.32 0.51 0.00 0.00 0.47 0.00 0.00 36.82 39.11 1um2 h ILE 301 CO 0.56 0.00 0.00 -1.84 -3.07 0.00 0.00 178.15 173.80 1um2 n GLU 302 N -5.35 0.00 0.00 2.19 0.00 -1.26 -2.73 120.64 113.49 1um2 n GLU 302 Ca 0.03 0.67 0.00 0.00 0.00 0.00 0.00 57.16 57.86 1um2 n GLU 302 Cb 0.26 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.21 1um2 n GLU 302 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1um2 n ASN 303 N -2.32 0.00 -4.44 -1.84 5.03 -1.22 -4.55 115.26 105.92 1um2 n ASN 303 Ca 0.00 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.09 1um2 n ASN 303 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 38.63 1um2 n ASN 303 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1um2 s ILE 304 N -0.20 4.18 0.55 2.41 1.01 -1.11 -4.97 121.20 123.08 1um2 s ILE 304 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.50 1um2 s ILE 304 Cb 0.00 -2.94 0.07 0.00 0.01 0.00 0.00 42.46 39.60 1um2 s ILE 304 CO 0.00 0.36 0.76 -1.61 0.00 0.00 0.00 174.94 174.46 1um2 s GLU 305 N 1.49 2.37 1.10 2.79 8.01 -1.26 -4.97 118.70 128.22 1um2 s GLU 305 Ca 0.06 -1.39 -0.17 0.00 0.01 0.00 0.00 54.97 53.48 1um2 s GLU 305 Cb -0.15 -2.62 0.24 0.00 -4.31 0.00 0.00 34.13 27.30 1um2 s GLU 305 CO 0.03 -0.78 1.16 0.08 0.01 0.00 0.00 175.26 175.75 1um2 s VAL 306 N -2.66 1.77 0.00 2.63 1.01 -1.26 -3.52 120.40 118.36 1um2 s VAL 306 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1um2 s VAL 306 Cb -0.07 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1um2 s VAL 306 CO 0.38 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1um2 n GLY 307 N -1.70 0.67 3.27 4.51 0.00 0.19 -4.93 105.19 107.20 1um2 n GLY 307 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1um2 n GLY 307 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1um2 n ASN 308 N 0.90 -2.94 -3.97 1.61 5.03 -1.23 -4.59 115.26 110.07 1um2 n ASN 308 Ca 0.00 0.15 -0.28 0.00 0.87 0.00 0.00 54.58 55.32 1um2 n ASN 308 Cb 0.00 -0.99 -0.17 0.00 -1.02 0.00 0.00 39.78 37.60 1um2 n ASN 308 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1um2 s LYS 309 N -3.15 1.86 0.38 3.52 1.02 -1.26 -0.39 119.74 121.74 1um2 s LYS 309 Ca 0.52 -0.40 0.08 0.00 0.02 0.00 0.00 55.97 56.18 1um2 s LYS 309 Cb -0.15 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.37 1um2 s LYS 309 CO 0.70 -0.21 0.41 0.14 -0.92 0.00 0.00 175.35 175.46 1um2 s VAL 310 N 1.48 3.15 -0.08 3.17 -7.23 0.11 -2.21 120.40 118.80 1um2 s VAL 310 Ca 0.02 -1.24 -0.30 0.00 -1.81 0.00 0.00 61.98 58.66 1um2 s VAL 310 Cb -0.13 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 1um2 s VAL 310 CO -0.07 -0.07 1.43 -0.32 -0.31 0.00 0.00 175.10 175.75 1um2 s MET 311 N -4.14 4.24 0.19 4.82 1.75 0.26 0.19 119.30 126.60 1um2 s MET 311 Ca 0.47 1.92 -0.20 0.00 -1.25 0.00 0.00 55.69 56.64 1um2 s MET 311 Cb -0.06 -3.77 -0.08 0.00 2.84 0.00 0.00 34.83 33.76 1um2 s MET 311 CO 0.29 -0.70 0.69 0.20 -0.65 0.00 0.00 175.02 174.85 1um2 s GLY 312 N 2.36 2.64 0.08 2.11 0.00 -0.26 -0.41 107.32 113.84 1um2 s GLY 312 Ca 0.63 0.13 0.05 0.00 0.00 0.00 0.00 44.72 45.53 1um2 s GLY 312 CO 0.23 0.51 1.10 0.58 0.00 0.00 0.00 173.10 175.52 1um2 n LYS 313 N 0.94 0.03 -0.27 2.90 2.85 -1.26 0.16 118.16 123.50 1um2 n LYS 313 Ca -0.04 0.49 0.11 0.00 -1.05 0.00 0.00 58.31 57.82 1um2 n LYS 313 Cb 0.51 -1.65 0.25 0.00 -0.65 0.00 0.00 35.03 33.49 1um2 n LYS 313 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1um2 n ASP 314 N -1.63 3.57 0.00 -5.58 5.68 -1.26 -4.86 116.55 112.47 1um2 n ASP 314 Ca -0.00 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 1um2 n ASP 314 Cb 0.06 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 1um2 n ASP 314 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1um2 n GLY 315 N 1.38 1.43 3.85 6.12 0.00 0.41 -4.89 105.19 113.49 1um2 n GLY 315 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1um2 n GLY 315 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1um2 s ARG 316 N -0.07 3.70 0.83 1.61 0.52 -1.25 -4.61 118.95 119.66 1um2 s ARG 316 Ca 0.00 0.15 -0.14 0.00 -0.52 0.00 0.00 55.73 55.22 1um2 s ARG 316 Cb 0.00 -3.21 0.03 0.00 0.52 0.00 0.00 34.95 32.29 1um2 s ARG 316 CO 0.00 0.72 0.75 -0.35 0.02 0.00 0.00 175.30 176.44 1um2 n PRO 317 N 1.93 0.06 -4.61 3.54 -0.04 -1.26 -1.10 135.00 133.52 1um2 n PRO 317 Ca -0.17 0.08 -0.26 0.00 -0.04 0.00 0.00 63.50 63.11 1um2 n PRO 317 Cb 0.54 -2.07 -0.17 0.00 -0.04 0.00 0.00 33.50 31.76 1um2 n PRO 317 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1um2 s ARG 318 N -3.55 1.92 -0.37 0.54 1.81 0.52 -4.69 118.95 115.13 1um2 s ARG 318 Ca 0.66 -0.48 -0.29 0.00 -1.72 0.00 0.00 55.73 53.90 1um2 s ARG 318 Cb -0.28 -1.58 0.02 0.00 -0.45 0.00 0.00 34.95 32.65 1um2 s ARG 318 CO 0.58 0.02 1.13 -2.00 -0.68 0.00 0.00 175.30 174.35 1um2 s GLU 319 N 0.72 3.93 0.13 3.54 2.12 -1.26 0.09 118.70 127.98 1um2 s GLU 319 Ca -0.13 0.95 -0.30 0.00 0.36 0.00 0.00 54.97 55.84 1um2 s GLU 319 Cb -0.16 -3.81 -0.07 0.00 0.26 0.00 0.00 34.13 30.35 1um2 s GLU 319 CO 0.03 -1.09 1.24 0.08 -0.54 0.00 0.00 175.26 174.99 1um2 s VAL 320 N 4.03 3.64 -0.01 3.70 1.01 0.48 -2.95 120.40 130.30 1um2 s VAL 320 Ca 0.48 1.27 0.01 0.00 0.00 0.00 0.00 61.98 63.74 1um2 s VAL 320 Cb -0.11 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.48 1um2 s VAL 320 CO 0.22 0.15 0.96 2.30 0.00 0.00 0.00 175.10 178.72 1um2 n ILE 321 N 3.24 0.15 0.00 2.22 -5.35 0.12 -0.63 119.36 119.11 1um2 n ILE 321 Ca 0.07 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1um2 n ILE 321 Cb 0.45 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.84 1um2 n ILE 321 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1um2 n LYS 322 N -0.11 0.00 -3.29 6.28 4.81 -1.25 -4.91 118.16 119.69 1um2 n LYS 322 Ca 0.01 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.06 1um2 n LYS 322 Cb 0.67 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.69 1um2 n LYS 322 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1um2 n LEU 323 N 0.00 5.27 -4.51 3.14 4.77 -1.26 -1.33 117.00 123.08 1um2 n LEU 323 Ca 0.00 -5.21 -0.56 0.00 -0.03 0.00 0.00 56.01 50.20 1um2 n LEU 323 Cb 0.00 -1.15 -0.07 0.00 -2.33 0.00 0.00 43.42 39.87 1um2 n LEU 323 CO 0.00 1.68 0.58 -2.65 -1.33 0.00 0.00 177.39 175.67 1um2 n PRO 324 N 1.68 0.24 -4.19 3.23 -0.02 -1.26 -4.67 135.00 130.00 1um2 n PRO 324 Ca 0.25 0.09 -0.17 0.00 -2.02 0.00 0.00 63.50 61.65 1um2 n PRO 324 Cb 0.36 -1.57 -0.13 0.00 -0.02 0.00 0.00 33.50 32.15 1um2 n PRO 324 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1um2 s ARG 325 N -0.03 0.69 0.00 -0.52 1.81 -1.26 -2.36 118.95 117.27 1um2 s ARG 325 Ca 0.87 -0.70 0.00 0.00 -1.72 0.00 0.00 55.73 54.18 1um2 s ARG 325 Cb -1.17 -0.60 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 1um2 s ARG 325 CO 0.55 0.14 0.00 0.41 -0.68 0.00 0.00 175.30 175.72 1um2 n GLY 326 N 1.81 -0.75 3.25 -3.53 0.00 -1.23 -5.05 105.19 99.69 1um2 n GLY 326 Ca -0.19 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1um2 n GLY 326 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1um2 s ARG 327 N -0.48 0.62 0.10 1.61 0.52 -1.26 -2.77 118.95 117.29 1um2 s ARG 327 Ca 0.00 -0.00 -0.26 0.00 -0.52 0.00 0.00 55.73 54.95 1um2 s ARG 327 Cb 0.00 0.28 0.09 0.00 0.52 0.00 0.00 34.95 35.84 1um2 s ARG 327 CO 0.00 -0.15 1.12 -2.00 0.02 0.00 0.00 175.30 174.29 1um2 s GLU 328 N -0.93 0.92 0.36 3.54 2.12 -1.20 -4.97 118.70 118.53 1um2 s GLU 328 Ca -0.10 -0.57 -0.26 0.00 0.36 0.00 0.00 54.97 54.41 1um2 s GLU 328 Cb -0.04 0.28 -0.09 0.00 0.26 0.00 0.00 34.13 34.53 1um2 s GLU 328 CO 0.03 -0.43 1.05 0.99 -0.54 0.00 0.00 175.26 176.36 1um2 s THR 329 N -2.41 3.71 -0.25 -1.70 2.01 -1.26 -2.01 115.64 113.73 1um2 s THR 329 Ca 0.20 1.43 -0.01 0.00 0.31 0.00 0.00 61.69 63.62 1um2 s THR 329 Cb -0.00 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.74 1um2 s THR 329 CO 0.02 0.12 -0.07 -0.04 -0.69 0.00 0.00 174.62 173.96 1um2 s MET 330 N -2.15 2.70 -0.11 4.92 1.00 -1.26 0.11 119.30 124.50 1um2 s MET 330 Ca 0.53 -1.06 -0.17 0.00 0.00 0.00 0.00 55.69 54.99 1um2 s MET 330 Cb -0.24 -2.98 -0.05 0.00 0.00 0.00 0.00 34.83 31.57 1um2 s MET 330 CO 0.31 -0.45 0.42 0.71 0.00 0.00 0.00 175.02 176.02 1um2 s TYR 331 N 1.28 3.53 -0.31 -0.03 2.02 0.10 -1.47 117.35 122.48 1um2 s TYR 331 Ca -0.02 0.84 -0.13 0.00 -0.37 0.00 0.00 57.07 57.39 1um2 s TYR 331 Cb -0.17 -2.47 -0.03 0.00 -0.40 0.00 0.00 41.96 38.89 1um2 s TYR 331 CO -0.05 0.25 0.27 -1.54 -1.57 0.00 0.00 175.55 172.91 1um2 s SER 332 N 0.35 6.10 -0.12 2.29 1.04 0.13 -1.35 113.70 122.14 1um2 s SER 332 Ca 0.23 -0.11 -0.25 0.00 0.48 0.00 0.00 55.95 56.30 1um2 s SER 332 Cb -0.15 -2.16 -0.02 0.00 0.10 0.00 0.00 66.02 63.79 1um2 s SER 332 CO 0.09 -0.18 0.81 -0.69 0.98 0.00 0.00 173.24 174.25 1um2 s VAL 333 N 1.86 4.93 -0.09 5.02 1.01 -0.62 -2.43 120.40 130.07 1um2 s VAL 333 Ca 0.09 1.62 -0.05 0.00 0.00 0.00 0.00 61.98 63.64 1um2 s VAL 333 Cb -0.16 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.13 1um2 s VAL 333 CO 0.11 0.11 0.22 -0.69 0.00 0.00 0.00 175.10 174.85 1um2 s VAL 334 N 1.59 -0.04 0.06 2.92 1.01 -0.97 -2.23 120.40 122.74 1um2 s VAL 334 Ca 0.40 0.14 -0.36 0.00 0.00 0.00 0.00 61.98 62.15 1um2 s VAL 334 Cb -0.17 -0.34 -0.16 0.00 0.00 0.00 0.00 36.38 35.70 1um2 s VAL 334 CO 0.16 0.06 1.45 1.67 0.00 0.00 0.00 175.10 178.44 1um2 n GLN 335 N 4.08 1.39 -0.23 2.72 7.27 -0.61 -0.03 117.38 131.96 1um2 n GLN 335 Ca -0.24 0.50 -0.03 0.00 0.07 0.00 0.00 57.00 57.31 1um2 n GLN 335 Cb 0.53 -2.19 -0.04 0.00 2.41 0.00 0.00 30.24 30.96 1um2 n GLN 335 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1um2 n LYS 336 N 3.18 0.46 0.00 3.69 4.81 0.23 -4.79 118.16 125.74 1um2 n LYS 336 Ca 0.19 -0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1um2 n LYS 336 Cb 0.21 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1um2 n LYS 336 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1um2 n GLU 352 N 2.77 0.00 -1.55 1.64 -0.58 -1.26 -4.93 120.64 116.73 1um2 n GLU 352 Ca 0.09 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.90 1um2 n GLU 352 Cb 0.21 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.04 1um2 n GLU 352 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1um2 n LEU 353 N 0.00 -1.43 -4.75 -4.62 4.77 -1.26 -4.91 117.00 104.81 1um2 n LEU 353 Ca 0.00 2.70 -0.40 0.00 -0.03 0.00 0.00 56.01 58.28 1um2 n LEU 353 Cb 0.00 -3.17 -0.05 0.00 -2.33 0.00 0.00 43.42 37.87 1um2 n LEU 353 CO 0.00 -1.35 0.51 -0.76 -1.33 0.00 0.00 177.39 174.46 1um2 s LEU 354 N -6.18 4.48 0.00 2.23 1.02 -1.26 -4.94 118.68 114.04 1um2 s LEU 354 Ca 0.00 1.56 -0.29 0.00 0.02 0.00 0.00 54.13 55.42 1um2 s LEU 354 Cb 0.00 -3.32 0.10 0.00 0.02 0.00 0.00 46.19 42.99 1um2 s LEU 354 CO 0.00 0.03 0.91 -1.59 0.02 0.00 0.00 176.35 175.72 1um2 s LYS 355 N -0.21 0.83 -0.18 1.70 -2.85 -1.26 -1.58 119.74 116.19 1um2 s LYS 355 Ca 0.40 -0.33 -0.28 0.00 -1.00 0.00 0.00 55.97 54.76 1um2 s LYS 355 Cb -0.22 0.37 0.10 0.00 -2.06 0.00 0.00 37.83 36.02 1um2 s LYS 355 CO 0.25 -0.36 0.86 -0.59 0.10 0.00 0.00 175.35 175.61 1um2 s PHE 356 N -3.10 -0.56 -0.08 1.78 -0.71 -0.94 -5.01 117.98 109.35 1um2 s PHE 356 Ca 0.06 1.17 -0.05 0.00 -1.04 0.00 0.00 56.93 57.06 1um2 s PHE 356 Cb -0.01 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 1um2 s PHE 356 CO -0.08 -0.39 0.15 0.99 -1.34 0.00 0.00 175.22 174.55 1um2 s THR 357 N -0.49 5.43 0.08 -4.49 2.01 -1.26 -1.59 115.64 115.33 1um2 s THR 357 Ca -0.03 0.05 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 1um2 s THR 357 Cb -0.02 -3.43 0.04 0.00 0.01 0.00 0.00 72.50 69.10 1um2 s THR 357 CO 0.02 0.51 0.41 0.00 -0.69 0.00 0.00 174.62 174.87 1um2 s ASN 359 N -2.40 6.51 0.42 0.00 2.20 -0.88 0.00 114.94 120.80 1um2 s ASN 359 Ca -0.01 2.90 0.29 0.00 -0.94 0.00 0.00 52.86 55.10 1um2 s ASN 359 Cb 0.01 -2.66 1.44 0.00 -2.00 0.00 0.00 41.25 38.04 1um2 s ASN 359 CO -0.07 -0.74 1.55 0.00 -2.94 0.00 0.00 177.10 174.89 1um2 n ALA 360 N 0.70 1.27 1.77 3.54 0.00 0.29 0.64 120.51 128.72 1um2 n ALA 360 Ca 0.01 0.89 0.09 0.00 0.00 0.00 0.00 53.44 54.44 1um2 n ALA 360 Cb 0.40 -1.04 0.47 0.00 0.00 0.00 0.00 19.45 19.29 1um2 n ALA 360 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1um2 n THR 361 N -4.82 0.07 -2.33 0.00 5.66 -1.26 -1.12 114.28 110.48 1um2 n THR 361 Ca 0.39 -0.10 -0.42 0.00 -3.05 0.00 0.00 64.05 60.87 1um2 n THR 361 Cb 1.49 -0.08 -0.03 0.00 -1.55 0.00 0.00 70.33 70.16 1um2 n THR 361 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1um2 s ASN 362 N -1.55 6.96 -0.78 1.09 3.04 0.21 -4.77 114.94 119.13 1um2 s ASN 362 Ca 0.28 2.04 -0.26 0.00 0.04 0.00 0.00 52.86 54.96 1um2 s ASN 362 Cb 0.14 -2.57 0.02 0.00 -1.54 0.00 0.00 41.25 37.30 1um2 s ASN 362 CO 0.22 -0.62 1.44 -1.61 -3.04 0.00 0.00 177.10 173.50 1um2 s GLU 363 N 1.87 3.14 0.31 0.43 2.02 -1.26 -0.17 118.70 125.04 1um2 s GLU 363 Ca 0.61 -0.28 -0.29 0.00 0.02 0.00 0.00 54.97 55.02 1um2 s GLU 363 Cb -0.30 -4.50 -0.11 0.00 0.10 0.00 0.00 34.13 29.33 1um2 s GLU 363 CO 0.26 -2.32 1.46 -0.51 0.02 0.00 0.00 175.26 174.17 1um2 s LEU 364 N 6.37 4.37 -0.71 1.80 1.43 -0.08 -4.23 118.68 127.63 1um2 s LEU 364 Ca 0.44 2.83 -0.16 0.00 -1.03 0.00 0.00 54.13 56.21 1um2 s LEU 364 Cb -0.07 -3.64 0.16 0.00 0.03 0.00 0.00 46.19 42.66 1um2 s LEU 364 CO 0.10 -0.76 0.74 -0.69 0.23 0.00 0.00 176.35 175.97 1um2 s VAL 365 N -0.51 5.19 0.54 -1.59 1.01 -1.26 -0.25 120.40 123.52 1um2 s VAL 365 Ca 0.56 -1.73 0.06 0.00 0.00 0.00 0.00 61.98 60.87 1um2 s VAL 365 Cb -0.44 -4.49 0.04 0.00 0.00 0.00 0.00 36.38 31.49 1um2 s VAL 365 CO 0.51 -1.08 0.44 0.68 0.00 0.00 0.00 175.10 175.65 1um2 s VAL 366 N 1.51 1.79 0.03 2.92 -7.23 -0.71 -4.10 120.40 114.61 1um2 s VAL 366 Ca 0.15 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1um2 s VAL 366 Cb -0.18 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 1um2 s VAL 366 CO -0.02 0.00 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.60 1um2 s ARG 367 N -4.31 0.36 -0.09 4.82 0.52 0.29 -2.51 118.95 118.03 1um2 s ARG 367 Ca 0.38 -0.69 -0.06 0.00 -0.52 0.00 0.00 55.73 54.85 1um2 s ARG 367 Cb -0.03 0.08 0.04 0.00 0.52 0.00 0.00 34.95 35.56 1um2 s ARG 367 CO 0.24 -0.05 0.22 0.99 0.02 0.00 0.00 175.30 176.72 1um2 s THR 368 N -1.71 -0.03 0.68 0.02 2.01 -0.76 -0.87 115.64 114.97 1um2 s THR 368 Ca -0.13 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.82 1um2 s THR 368 Cb -0.08 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.10 1um2 s THR 368 CO -0.02 0.04 1.14 -2.16 -0.69 0.00 0.00 174.62 172.93 1um2 s PRO 369 N 0.86 2.63 0.29 4.92 0.04 -1.26 0.19 135.00 142.67 1um2 s PRO 369 Ca -0.06 1.49 -0.21 0.00 0.04 0.00 0.00 61.00 62.26 1um2 s PRO 369 Cb -0.07 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 1um2 s PRO 369 CO -0.05 -1.40 0.81 1.03 0.04 0.00 0.00 177.00 177.43 1um2 s ARG 370 N -4.03 4.30 0.05 4.56 0.52 -1.19 -4.69 118.95 118.47 1um2 s ARG 370 Ca 0.69 0.99 -0.03 0.00 -0.52 0.00 0.00 55.73 56.86 1um2 s ARG 370 Cb -0.23 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 1um2 s ARG 370 CO 0.42 0.27 0.02 0.45 0.02 0.00 0.00 175.30 176.49 1um2 s SER 371 N -1.81 0.35 -0.30 0.23 0.15 -1.26 -4.95 113.70 106.11 1um2 s SER 371 Ca 0.49 -0.80 -0.03 0.00 0.70 0.00 0.00 55.95 56.31 1um2 s SER 371 Cb -0.15 0.21 0.19 0.00 -1.71 0.00 0.00 66.02 64.56 1um2 s SER 371 CO 0.20 -0.56 0.80 0.54 1.20 0.00 0.00 173.24 175.42 1um2 s VAL 372 N -3.34 -0.67 0.09 4.45 0.11 -1.26 -3.33 120.40 116.45 1um2 s VAL 372 Ca 0.01 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 1um2 s VAL 372 Cb 0.03 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1um2 s VAL 372 CO -0.08 0.00 0.02 -0.60 -3.33 0.00 0.00 175.10 171.11 1um2 s ARG 373 N 2.89 2.64 -0.10 1.54 3.52 -0.84 -5.01 118.95 123.58 1um2 s ARG 373 Ca 0.15 -0.81 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 1um2 s ARG 373 Cb -0.09 -2.59 0.02 0.00 -1.56 0.00 0.00 34.95 30.74 1um2 s ARG 373 CO -0.22 0.54 -0.11 0.50 -0.81 0.00 0.00 175.30 175.20 1um2 s ARG 374 N -2.37 1.83 0.32 5.12 3.52 -1.26 -2.50 118.95 123.61 1um2 s ARG 374 Ca 0.27 -0.40 0.01 0.00 -0.13 0.00 0.00 55.73 55.47 1um2 s ARG 374 Cb -0.12 -1.68 -0.02 0.00 -1.56 0.00 0.00 34.95 31.58 1um2 s ARG 374 CO 0.19 -0.14 0.36 -0.48 -0.81 0.00 0.00 175.30 174.42 1um2 s LEU 375 N 1.25 1.29 -0.24 -0.88 2.34 -1.04 -5.06 118.68 116.35 1um2 s LEU 375 Ca -0.03 -1.56 -0.05 0.00 0.06 0.00 0.00 54.13 52.55 1um2 s LEU 375 Cb -0.14 0.99 -0.01 0.00 -0.56 0.00 0.00 46.19 46.47 1um2 s LEU 375 CO -0.04 -1.14 0.01 -0.94 -1.06 0.00 0.00 176.35 173.18 1um2 s SER 376 N -3.27 4.68 -0.05 1.48 1.04 -1.26 -2.55 113.70 113.77 1um2 s SER 376 Ca 0.35 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.49 1um2 s SER 376 Cb 0.02 -1.82 -0.01 0.00 0.10 0.00 0.00 66.02 64.31 1um2 s SER 376 CO 0.22 -0.04 -0.20 -0.60 0.98 0.00 0.00 173.24 173.60 1um2 s ARG 377 N 1.53 2.04 -0.50 4.02 3.52 -1.11 -5.00 118.95 123.45 1um2 s ARG 377 Ca 0.06 -0.70 -0.03 0.00 -0.13 0.00 0.00 55.73 54.93 1um2 s ARG 377 Cb -0.15 -1.75 0.13 0.00 -1.56 0.00 0.00 34.95 31.62 1um2 s ARG 377 CO -0.00 0.28 0.30 0.95 -0.81 0.00 0.00 175.30 176.03 1um2 s THR 378 N -0.01 3.44 -0.62 4.11 -4.23 -1.26 0.56 115.64 117.63 1um2 s THR 378 Ca -0.04 -2.48 -0.22 0.00 -1.18 0.00 0.00 61.69 57.76 1um2 s THR 378 Cb -0.12 -3.31 0.07 0.00 1.34 0.00 0.00 72.50 70.48 1um2 s THR 378 CO 0.03 -0.77 0.90 -0.63 -0.54 0.00 0.00 174.62 173.60 1um2 s ILE 379 N 0.58 4.45 -0.44 2.99 1.01 0.18 -4.59 121.20 125.38 1um2 s ILE 379 Ca 0.12 -0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 1um2 s ILE 379 Cb -0.22 -4.60 0.01 0.00 0.01 0.00 0.00 42.46 37.67 1um2 s ILE 379 CO -0.04 -1.29 0.53 0.29 0.00 0.00 0.00 174.94 174.43 1um2 n LYS 380 N 7.35 -1.72 0.00 2.79 4.76 -1.26 -3.45 118.16 126.63 1um2 n LYS 380 Ca -0.04 1.70 0.00 0.00 -2.87 0.00 0.00 58.31 57.10 1um2 n LYS 380 Cb 0.45 -5.03 0.00 0.00 -1.84 0.00 0.00 35.03 28.61 1um2 n LYS 380 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1um2 n GLY 381 N -0.75 0.89 3.65 0.72 0.00 -1.26 -4.93 105.19 103.51 1um2 n GLY 381 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1um2 n GLY 381 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1um2 s VAL 382 N -0.58 4.42 -0.34 1.61 1.01 -1.22 -5.09 120.40 120.20 1um2 s VAL 382 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 1um2 s VAL 382 Cb 0.00 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1um2 s VAL 382 CO 0.00 0.55 0.48 -1.61 0.00 0.00 0.00 175.10 174.52 1um2 s GLU 383 N -0.36 3.64 0.44 2.72 2.02 -1.26 -0.64 118.70 125.26 1um2 s GLU 383 Ca 0.07 -0.18 0.07 0.00 0.02 0.00 0.00 54.97 54.96 1um2 s GLU 383 Cb -0.12 -3.80 -0.02 0.00 0.10 0.00 0.00 34.13 30.30 1um2 s GLU 383 CO 0.02 -0.60 0.35 0.71 0.02 0.00 0.00 175.26 175.76 1um2 s TYR 384 N 2.32 2.52 -0.28 1.61 1.51 0.19 0.23 117.35 125.45 1um2 s TYR 384 Ca 0.17 -0.56 -0.01 0.00 -1.01 0.00 0.00 57.07 55.66 1um2 s TYR 384 Cb -0.16 -2.10 0.05 0.00 -0.11 0.00 0.00 41.96 39.64 1um2 s TYR 384 CO 0.13 -0.13 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.35 1um2 s PHE 385 N -2.54 3.21 -0.16 2.71 0.08 0.42 -2.76 117.98 118.94 1um2 s PHE 385 Ca 0.45 -1.86 -0.05 0.00 0.12 0.00 0.00 56.93 55.59 1um2 s PHE 385 Cb -0.02 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1um2 s PHE 385 CO 0.26 -0.80 0.02 -2.00 -0.10 0.00 0.00 175.22 172.60 1um2 s GLU 386 N 1.25 3.76 -0.51 0.44 2.12 -1.06 -3.21 118.70 121.49 1um2 s GLU 386 Ca -0.04 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.87 1um2 s GLU 386 Cb -0.19 -3.06 0.13 0.00 0.26 0.00 0.00 34.13 31.28 1um2 s GLU 386 CO -0.02 0.31 0.29 0.08 -0.54 0.00 0.00 175.26 175.37 1um2 s VAL 387 N 0.23 3.11 0.16 3.70 1.01 0.88 -2.49 120.40 127.01 1um2 s VAL 387 Ca 0.01 -2.80 -0.30 0.00 0.00 0.00 0.00 61.98 58.89 1um2 s VAL 387 Cb -0.13 -3.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 1um2 s VAL 387 CO 0.01 -0.78 0.94 -0.63 0.00 0.00 0.00 175.10 174.64 1um2 s ILE 388 N 0.24 4.33 0.26 2.22 1.01 -1.04 -3.65 121.20 124.56 1um2 s ILE 388 Ca 0.14 2.05 -0.07 0.00 0.00 0.00 0.00 60.65 62.77 1um2 s ILE 388 Cb -0.22 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 37.92 1um2 s ILE 388 CO -0.03 0.40 0.39 0.42 0.00 0.00 0.00 174.94 176.12 1um2 s THR 389 N -0.53 0.00 -0.30 2.92 -4.23 -0.21 -1.98 115.64 111.32 1um2 s THR 389 Ca 0.44 -1.61 -0.02 0.00 -1.18 0.00 0.00 61.69 59.32 1um2 s THR 389 Cb -0.24 -2.38 0.05 0.00 1.34 0.00 0.00 72.50 71.26 1um2 s THR 389 CO 0.30 0.00 0.00 -0.36 -0.54 0.00 0.00 174.62 174.03 1um2 s PHE 390 N -3.83 3.24 0.22 3.99 0.40 -1.21 0.59 117.98 121.38 1um2 s PHE 390 Ca 0.29 -1.79 0.04 0.00 -0.60 0.00 0.00 56.93 54.87 1um2 s PHE 390 Cb 0.01 -2.12 -0.05 0.00 0.51 0.00 0.00 43.02 41.38 1um2 s PHE 390 CO 0.13 -0.79 -0.03 -1.83 0.70 0.00 0.00 175.22 173.39 1um2 s GLU 391 N 1.28 1.32 0.33 0.44 -1.05 0.27 -4.51 118.70 116.77 1um2 s GLU 391 Ca -0.04 -1.65 -0.25 0.00 -0.15 0.00 0.00 54.97 52.88 1um2 s GLU 391 Cb -0.19 -0.71 -0.10 0.00 -0.44 0.00 0.00 34.13 32.68 1um2 s GLU 391 CO -0.01 -0.04 0.92 -1.64 0.95 0.00 0.00 175.26 175.44 1um2 s MET 392 N -3.81 4.49 0.00 -4.83 -1.94 -1.26 0.19 119.30 112.13 1um2 s MET 392 Ca 0.26 1.24 0.00 0.00 -1.71 0.00 0.00 55.69 55.48 1um2 s MET 392 Cb 0.05 -2.72 0.00 0.00 2.01 0.00 0.00 34.83 34.16 1um2 s MET 392 CO 0.08 0.25 0.00 0.41 -0.01 0.00 0.00 175.02 175.75 1um2 n GLY 393 N 0.41 2.81 3.28 -0.03 0.00 -0.75 -4.86 105.19 106.05 1um2 n GLY 393 Ca 0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1um2 n GLY 393 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1um2 s GLN 394 N 4.48 0.87 -0.18 1.61 -2.07 -1.26 -2.01 119.66 121.10 1um2 s GLN 394 Ca 0.00 -0.52 -0.05 0.00 -1.82 0.00 0.00 55.36 52.97 1um2 s GLN 394 Cb 0.00 0.38 0.09 0.00 -1.09 0.00 0.00 33.01 32.39 1um2 s GLN 394 CO 0.00 -0.29 0.33 0.21 -1.32 0.00 0.00 175.29 174.22 1um2 s LYS 395 N -2.77 0.24 0.23 9.60 2.47 -1.07 -4.92 119.74 123.52 1um2 s LYS 395 Ca -0.03 0.79 -0.27 0.00 -1.56 0.00 0.00 55.97 54.90 1um2 s LYS 395 Cb -0.00 -0.03 -0.17 0.00 -1.46 0.00 0.00 37.83 36.17 1um2 s LYS 395 CO -0.05 -0.35 0.49 1.17 0.16 0.00 0.00 175.35 176.78 1um2 n LYS 396 N 5.37 0.07 -4.08 4.03 3.00 -1.26 -4.32 118.16 120.96 1um2 n LYS 396 Ca -0.07 0.02 -0.27 0.00 -0.00 0.00 0.00 58.31 58.00 1um2 n LYS 396 Cb 0.50 -1.04 -0.06 0.00 0.00 0.00 0.00 35.03 34.43 1um2 n LYS 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1um2 s ALA 397 N -1.09 3.56 0.10 3.14 0.00 -1.10 -4.97 121.76 121.40 1um2 s ALA 397 Ca 0.63 -1.18 -0.34 0.00 0.00 0.00 0.00 51.96 51.07 1um2 s ALA 397 Cb -0.88 -1.37 -0.15 0.00 0.00 0.00 0.00 23.12 20.72 1um2 s ALA 397 CO 0.57 0.55 1.55 -1.35 0.00 0.00 0.00 175.76 177.08 1um2 h PRO 398 N 2.58 -0.73 0.00 0.00 0.11 -1.93 0.16 132.00 132.19 1um2 h PRO 398 Ca -0.47 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1um2 h PRO 398 Cb 1.19 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1um2 h PRO 398 CO 0.64 -0.49 0.00 -0.40 -0.21 0.00 0.00 178.00 177.54 1um2 n ASP 399 N -5.43 0.00 0.00 -2.05 5.68 -1.26 -4.74 116.55 108.75 1um2 n ASP 399 Ca -0.09 -0.30 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 1um2 n ASP 399 Cb 0.41 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1um2 n ASP 399 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1um2 n GLY 400 N -0.36 1.67 3.71 6.12 0.00 0.56 -5.05 105.19 111.85 1um2 n GLY 400 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1um2 n GLY 400 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1um2 s ARG 401 N -0.31 1.42 -0.62 1.61 0.52 -1.26 -4.64 118.95 115.67 1um2 s ARG 401 Ca 0.00 1.03 -0.23 0.00 -0.52 0.00 0.00 55.73 56.01 1um2 s ARG 401 Cb 0.00 -1.81 0.06 0.00 0.52 0.00 0.00 34.95 33.72 1um2 s ARG 401 CO 0.00 -2.19 0.94 0.42 0.02 0.00 0.00 175.30 174.49 1um2 s ILE 402 N -2.86 4.37 -0.29 1.52 -1.09 -1.26 -2.71 121.20 118.88 1um2 s ILE 402 Ca 0.63 -0.17 -0.08 0.00 -2.23 0.00 0.00 60.65 58.80 1um2 s ILE 402 Cb -0.19 -4.62 -0.01 0.00 -1.58 0.00 0.00 42.46 36.06 1um2 s ILE 402 CO 0.57 -1.32 0.11 -0.69 -1.23 0.00 0.00 174.94 172.38 1um2 s VAL 403 N 3.95 4.35 -0.23 2.92 1.01 -1.26 -5.06 120.40 126.07 1um2 s VAL 403 Ca 0.24 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1um2 s VAL 403 Cb -0.16 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1um2 s VAL 403 CO 0.13 0.16 0.23 -1.83 0.00 0.00 0.00 175.10 173.79 1um2 s GLU 404 N 1.59 4.09 0.11 2.72 -1.05 -1.26 -2.59 118.70 122.31 1um2 s GLU 404 Ca 0.05 -0.15 -0.13 0.00 -0.15 0.00 0.00 54.97 54.59 1um2 s GLU 404 Cb -0.16 -3.55 0.02 0.00 -0.44 0.00 0.00 34.13 30.00 1um2 s GLU 404 CO 0.04 0.01 0.33 -0.48 0.95 0.00 0.00 175.26 176.11 1um2 s LEU 405 N 1.21 0.76 0.56 1.83 0.05 -0.85 -4.94 118.68 117.30 1um2 s LEU 405 Ca 0.11 -0.43 -0.21 0.00 0.05 0.00 0.00 54.13 53.65 1um2 s LEU 405 Cb -0.14 1.55 -0.04 0.00 -2.05 0.00 0.00 46.19 45.51 1um2 s LEU 405 CO 0.06 -0.80 1.33 -0.69 -0.55 0.00 0.00 176.35 175.69 1um2 s VAL 406 N -3.80 2.14 -0.10 1.48 1.01 -1.26 -1.80 120.40 118.07 1um2 s VAL 406 Ca 0.03 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1um2 s VAL 406 Cb 0.03 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.39 1um2 s VAL 406 CO -0.12 -0.01 0.33 -0.75 0.00 0.00 0.00 175.10 174.56 1um2 s LYS 407 N -3.00 0.45 0.05 2.72 2.20 0.49 -4.86 119.74 117.80 1um2 s LYS 407 Ca 0.74 0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 56.35 1um2 s LYS 407 Cb -0.39 0.21 -0.05 0.00 -1.51 0.00 0.00 37.83 36.09 1um2 s LYS 407 CO 0.45 -0.08 1.17 -2.00 -0.36 0.00 0.00 175.35 174.53 1um2 s GLU 408 N -0.17 4.45 0.08 4.03 2.12 -1.26 -0.57 118.70 127.37 1um2 s GLU 408 Ca -0.03 1.72 0.07 0.00 0.36 0.00 0.00 54.97 57.09 1um2 s GLU 408 Cb -0.03 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1um2 s GLU 408 CO 0.01 -0.24 -0.18 0.08 -0.54 0.00 0.00 175.26 174.39 1um2 s VAL 409 N 1.09 1.48 0.34 3.70 1.01 0.20 -4.94 120.40 123.27 1um2 s VAL 409 Ca 0.58 -1.35 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1um2 s VAL 409 Cb -0.28 -1.35 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 1um2 s VAL 409 CO 0.29 -0.04 -0.07 -0.55 0.00 0.00 0.00 175.10 174.73 1um2 s SER 410 N -1.64 3.51 -0.28 3.32 0.15 -1.26 -1.04 113.70 116.46 1um2 s SER 410 Ca 0.04 -1.23 -0.21 0.00 0.70 0.00 0.00 55.95 55.25 1um2 s SER 410 Cb -0.09 -0.31 0.10 0.00 -1.71 0.00 0.00 66.02 64.00 1um2 s SER 410 CO 0.03 -0.28 0.84 -0.54 1.20 0.00 0.00 173.24 174.48 1um2 s LYS 411 N -3.66 0.64 0.00 5.44 -0.14 -1.24 -4.95 119.74 115.83 1um2 s LYS 411 Ca 0.32 0.89 0.00 0.00 -1.36 0.00 0.00 55.97 55.83 1um2 s LYS 411 Cb 0.04 0.24 0.00 0.00 -1.68 0.00 0.00 37.83 36.43 1um2 s LYS 411 CO 0.16 -0.10 0.00 0.43 -0.76 0.00 0.00 175.35 175.08 1um2 n SER 412 N 3.15 0.41 0.00 2.83 7.64 -1.25 -0.08 113.62 126.32 1um2 n SER 412 Ca -0.16 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1um2 n SER 412 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1um2 n SER 412 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1um2 n TYR 413 N 0.00 0.00 -1.54 1.43 0.18 -1.20 -4.88 117.16 111.16 1um2 n TYR 413 Ca 0.00 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.40 1um2 n TYR 413 Cb 0.00 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.00 1um2 n TYR 413 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 1um2 n PRO 414 N -1.32 0.70 -0.29 -3.48 -0.02 -1.26 -0.44 135.00 128.89 1um2 n PRO 414 Ca 0.00 0.27 -0.03 0.00 -2.02 0.00 0.00 63.50 61.72 1um2 n PRO 414 Cb 0.00 -1.91 0.12 0.00 -0.02 0.00 0.00 33.50 31.70 1um2 n PRO 414 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1um2 h ILE 415 N 0.41 1.25 -0.09 4.25 1.08 -0.50 -3.13 117.51 120.78 1um2 h ILE 415 Ca -0.47 -0.63 0.02 0.00 -0.39 0.00 0.00 64.86 63.40 1um2 h ILE 415 Cb 1.38 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 1um2 h ILE 415 CO 0.49 0.28 -0.01 -1.20 -0.69 0.00 0.00 178.15 177.02 1um2 n SER 416 N -4.33 -0.02 0.00 1.72 7.64 -1.26 0.43 113.62 117.79 1um2 n SER 416 Ca 0.09 0.15 0.15 0.00 1.01 0.00 0.00 58.87 60.27 1um2 n SER 416 Cb 0.11 -0.05 0.86 0.00 -1.01 0.00 0.00 64.21 64.12 1um2 n SER 416 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1um2 n GLU 417 N -4.04 0.76 -0.13 1.43 1.02 -1.18 -5.03 120.64 113.46 1um2 n GLU 417 Ca 0.02 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.17 1um2 n GLU 417 Cb 0.05 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 1um2 n GLU 417 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1um2 n GLY 418 N 1.08 -2.71 0.55 0.62 0.00 1.45 -4.44 105.19 101.74 1um2 n GLY 418 Ca 0.20 -1.40 0.38 0.00 0.00 0.00 0.00 46.02 45.20 1um2 n GLY 418 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1um2 h PRO 419 N -0.12 0.07 0.00 1.61 0.11 -1.94 -3.21 132.00 128.52 1um2 h PRO 419 Ca -0.02 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1um2 h PRO 419 Cb 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1um2 h PRO 419 CO 0.01 0.04 0.00 -1.91 -0.21 0.00 0.00 178.00 175.93 1um2 n GLU 420 N -4.27 0.00 0.04 1.05 4.07 -1.26 0.84 120.64 121.11 1um2 n GLU 420 Ca 0.32 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 57.31 1um2 n GLU 420 Cb 1.41 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.80 1um2 n GLU 420 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1um2 h ARG 421 N 0.00 0.46 0.00 5.31 2.43 -1.84 -3.33 114.38 117.42 1um2 h ARG 421 Ca 0.00 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1um2 h ARG 421 Cb 0.00 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1um2 h ARG 421 CO 0.00 1.03 0.00 0.00 -1.51 0.00 0.00 179.97 179.49 1um2 n ALA 422 N -2.53 0.00 0.00 2.80 0.00 0.25 -3.55 120.51 117.47 1um2 n ALA 422 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1um2 n ALA 422 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1um2 n ALA 422 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1um2 n ASN 423 N 0.00 0.00 -0.11 0.00 4.13 -1.24 0.25 115.26 118.29 1um2 n ASN 423 Ca 0.00 0.00 0.27 0.00 1.68 0.00 0.00 54.58 56.53 1um2 n ASN 423 Cb 0.00 0.00 0.63 0.00 -1.54 0.00 0.00 39.78 38.87 1um2 n ASN 423 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1um2 h GLU 424 N 0.00 0.00 0.00 3.52 4.11 -1.67 0.47 114.58 121.01 1um2 h GLU 424 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1um2 h GLU 424 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1um2 h GLU 424 CO 0.00 0.00 -0.31 1.25 0.07 0.00 0.00 179.01 180.02 1um2 h LEU 425 N 0.00 0.00 -0.34 3.06 6.46 0.32 -2.50 115.31 122.32 1um2 h LEU 425 Ca 0.38 -0.13 0.04 0.00 -0.12 0.00 0.00 57.88 58.05 1um2 h LEU 425 Cb 2.05 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.93 1um2 h LEU 425 CO -0.00 0.73 -0.33 0.58 -0.62 0.00 0.00 178.44 178.79 1um2 h VAL 426 N -1.00 0.00 -0.39 1.05 2.07 -0.91 1.29 116.25 118.36 1um2 h VAL 426 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1um2 h VAL 426 Cb 0.40 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1um2 h VAL 426 CO -0.02 0.00 0.26 -0.33 0.02 0.00 0.00 177.57 177.51 1um2 h GLU 427 N -0.17 0.37 -0.01 1.57 4.39 -0.39 0.83 114.58 121.18 1um2 h GLU 427 Ca 0.06 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1um2 h GLU 427 Cb 0.32 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1um2 h GLU 427 CO -0.40 0.25 -0.20 1.03 -1.16 0.00 0.00 179.01 178.52 1um2 h SER 428 N 0.38 0.02 0.02 1.42 0.87 0.35 -2.05 113.55 114.57 1um2 h SER 428 Ca 0.16 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1um2 h SER 428 Cb 0.17 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1um2 h SER 428 CO -0.04 0.22 -0.14 0.22 -0.53 0.00 0.00 176.83 176.56 1um2 h TYR 429 N 0.02 0.08 -0.49 2.24 3.20 0.75 -3.28 116.97 119.49 1um2 h TYR 429 Ca 0.00 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.82 1um2 h TYR 429 Cb 0.37 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1um2 h TYR 429 CO 0.00 1.05 0.32 0.00 -1.64 0.00 0.00 178.16 177.90 1um2 h ARG 430 N -0.90 0.61 -0.66 1.82 2.47 0.27 -0.98 114.38 117.01 1um2 h ARG 430 Ca -0.03 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1um2 h ARG 430 Cb 1.10 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 1um2 h ARG 430 CO 0.02 0.41 0.00 1.17 0.56 0.00 0.00 179.97 182.13 1um2 n LYS 431 N -4.47 2.98 0.09 0.04 4.81 -0.78 -4.16 118.16 116.67 1um2 n LYS 431 Ca 0.05 -1.82 0.06 0.00 -0.87 0.00 0.00 58.31 55.73 1um2 n LYS 431 Cb 0.08 -1.79 -0.01 0.00 0.02 0.00 0.00 35.03 33.33 1um2 n LYS 431 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1um2 h ALA 432 N 3.39 0.63 -2.59 3.14 0.00 -1.23 -3.49 119.26 119.12 1um2 h ALA 432 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1um2 h ALA 432 Cb 1.16 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 1um2 h ALA 432 CO 0.21 0.42 -0.25 0.45 0.00 0.00 0.00 179.25 180.08 1um2 s SER 433 N -5.75 -0.05 0.00 0.00 0.15 -1.26 -5.04 113.70 101.75 1um2 s SER 433 Ca -0.00 -0.41 0.25 0.00 0.70 0.00 0.00 55.95 56.49 1um2 s SER 433 Cb 0.08 0.38 0.71 0.00 -1.71 0.00 0.00 66.02 65.49 1um2 s SER 433 CO 0.78 -0.72 1.55 -0.46 1.20 0.00 0.00 173.24 175.58 1um2 n ASN 434 N 0.11 2.10 -4.25 5.45 6.94 -1.26 -4.89 115.26 119.45 1um2 n ASN 434 Ca -0.17 -1.72 -0.23 0.00 -0.02 0.00 0.00 54.58 52.45 1um2 n ASN 434 Cb 0.62 -0.06 -0.13 0.00 -2.36 0.00 0.00 39.78 37.85 1um2 n ASN 434 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1um2 s LYS 435 N -1.88 1.07 -0.03 -3.83 1.02 -1.26 -5.03 119.74 109.81 1um2 s LYS 435 Ca 0.34 -1.09 0.06 0.00 0.02 0.00 0.00 55.97 55.30 1um2 s LYS 435 Cb 0.20 -1.27 0.22 0.00 -0.52 0.00 0.00 37.83 36.46 1um2 s LYS 435 CO 0.31 0.30 1.05 0.00 -0.92 0.00 0.00 175.35 176.08 1um2 n ALA 436 N 1.21 2.65 -3.52 5.17 0.00 -1.26 -4.91 120.51 119.84 1um2 n ALA 436 Ca -0.20 -0.47 -0.08 0.00 0.00 0.00 0.00 53.44 52.70 1um2 n ALA 436 Cb 0.54 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 1um2 n ALA 436 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1um2 s TYR 437 N -1.63 0.06 -0.22 0.00 -0.85 -1.26 -3.17 117.35 110.27 1um2 s TYR 437 Ca 0.16 -0.47 -0.10 0.00 -0.52 0.00 0.00 57.07 56.13 1um2 s TYR 437 Cb 0.10 0.46 -0.05 0.00 0.38 0.00 0.00 41.96 42.85 1um2 s TYR 437 CO 0.08 -1.11 0.15 -0.06 -1.52 0.00 0.00 175.55 173.09 1um2 s PHE 438 N -3.96 3.36 -0.76 -3.49 0.08 0.52 -4.81 117.98 108.92 1um2 s PHE 438 Ca 0.16 0.29 -0.07 0.00 0.12 0.00 0.00 56.93 57.44 1um2 s PHE 438 Cb -0.03 -2.22 0.20 0.00 -0.57 0.00 0.00 43.02 40.39 1um2 s PHE 438 CO 0.07 0.17 0.64 -1.21 -0.10 0.00 0.00 175.22 174.79 1um2 s GLU 439 N 0.72 3.10 0.00 0.44 2.02 -1.26 -1.83 118.70 121.89 1um2 s GLU 439 Ca 0.08 -2.67 0.00 0.00 0.02 0.00 0.00 54.97 52.40 1um2 s GLU 439 Cb -0.12 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.07 1um2 s GLU 439 CO 0.01 -1.23 0.00 -2.67 0.02 0.00 0.00 175.26 171.40 1um2 n TRP 440 N 3.40 0.00 -4.10 1.61 4.27 -1.04 -5.05 117.44 116.53 1um2 n TRP 440 Ca 0.13 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.63 1um2 n TRP 440 Cb 0.41 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.28 1um2 n TRP 440 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1um2 s THR 441 N -0.59 0.02 -0.30 -1.67 -4.23 -1.26 -1.74 115.64 105.87 1um2 s THR 441 Ca 0.00 -1.72 -0.17 0.00 -1.18 0.00 0.00 61.69 58.62 1um2 s THR 441 Cb 0.00 -2.28 0.19 0.00 1.34 0.00 0.00 72.50 71.75 1um2 s THR 441 CO 0.00 -0.08 1.19 -0.51 -0.54 0.00 0.00 174.62 174.68 1um2 s ILE 442 N -4.08 -0.08 0.40 2.99 2.07 0.65 -4.89 121.20 118.26 1um2 s ILE 442 Ca 0.30 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.29 1um2 s ILE 442 Cb 0.04 -1.00 -0.11 0.00 0.13 0.00 0.00 42.46 41.52 1um2 s ILE 442 CO 0.09 0.00 0.98 -0.62 -1.91 0.00 0.00 174.94 173.48 1um2 n GLU 443 N 3.85 1.31 0.33 3.50 1.02 -1.25 -0.90 120.64 128.50 1um2 n GLU 443 Ca -0.13 0.47 0.22 0.00 -0.02 0.00 0.00 57.16 57.69 1um2 n GLU 443 Cb 0.56 -1.98 1.17 0.00 -0.02 0.00 0.00 31.44 31.17 1um2 n GLU 443 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1um2 h ALA 444 N 1.58 1.08 0.00 0.62 0.00 -0.45 -0.19 119.26 121.90 1um2 h ALA 444 Ca -0.43 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1um2 h ALA 444 Cb 1.34 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1um2 h ALA 444 CO 0.57 0.00 -0.64 0.07 0.00 0.00 0.00 179.25 179.26 1um2 h ARG 445 N 0.00 0.00 0.00 0.00 0.11 -1.40 -3.32 114.38 109.77 1um2 h ARG 445 Ca -0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1um2 h ARG 445 Cb 0.01 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.09 1um2 h ARG 445 CO 0.00 0.16 -0.40 -0.44 0.10 0.00 0.00 179.97 179.38 1um2 h ASP 446 N 0.00 0.00 -0.03 0.08 3.32 -1.29 -3.37 116.42 115.13 1um2 h ASP 446 Ca -0.03 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.03 1um2 h ASP 446 Cb 1.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 1um2 h ASP 446 CO 0.02 0.08 0.74 0.25 -1.72 0.00 0.00 179.24 178.61 1um2 h LEU 447 N 0.00 0.00 -0.21 1.55 5.85 -1.62 1.53 115.31 122.41 1um2 h LEU 447 Ca -0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1um2 h LEU 447 Cb 1.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1um2 h LEU 447 CO 0.01 0.00 -0.46 0.77 -0.34 0.00 0.00 178.44 178.42 1um2 h SER 448 N 0.00 0.00 -0.94 1.25 4.64 -1.86 -3.22 113.55 113.42 1um2 h SER 448 Ca 0.01 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.44 1um2 h SER 448 Cb 1.49 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.51 1um2 h SER 448 CO -0.00 0.46 0.60 -0.07 -0.87 0.00 0.00 176.83 176.95 1um2 h LEU 449 N 0.00 0.83 -9.68 5.97 3.38 0.19 -3.42 115.31 112.58 1um2 h LEU 449 Ca -0.00 0.03 -0.56 0.00 0.09 0.00 0.00 57.88 57.44 1um2 h LEU 449 Cb 1.27 -0.13 0.08 0.00 0.09 0.00 0.00 40.66 41.97 1um2 h LEU 449 CO 0.06 0.46 0.79 0.18 0.09 0.00 0.00 178.44 180.02 1um2 n LEU 450 N -4.57 3.75 -4.71 1.67 4.77 -1.22 -4.90 117.00 111.79 1um2 n LEU 450 Ca 0.17 1.13 -0.41 0.00 -0.03 0.00 0.00 56.01 56.87 1um2 n LEU 450 Cb 0.35 -1.52 -0.04 0.00 -2.33 0.00 0.00 43.42 39.89 1um2 n LEU 450 CO 0.29 -0.12 0.59 -0.83 -1.33 0.00 0.00 177.39 175.99 1um2 s GLY 451 N 0.52 2.79 0.00 -0.72 0.00 -1.26 -4.68 107.32 103.97 1um2 s GLY 451 Ca 0.68 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.79 1um2 s GLY 451 CO 0.46 1.53 0.00 -1.26 0.00 0.00 0.00 173.10 173.83 1um2 n SER 452 N 3.91 0.00 0.23 1.64 2.88 -1.26 -0.49 113.62 120.53 1um2 n SER 452 Ca 0.04 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.43 1um2 n SER 452 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 1um2 n SER 452 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1um2 h HIS 453 N 0.00 -0.53 -0.60 0.66 3.86 -2.01 -2.92 115.15 113.62 1um2 h HIS 453 Ca 0.00 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.30 1um2 h HIS 453 Cb 0.00 0.18 -0.08 0.00 1.06 0.00 0.00 27.41 28.57 1um2 h HIS 453 CO 0.00 -0.23 0.19 0.28 0.86 0.00 0.00 177.93 179.03 1um2 h VAL 454 N -0.77 0.73 0.19 2.45 2.07 -1.16 -2.98 116.25 116.78 1um2 h VAL 454 Ca -0.06 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1um2 h VAL 454 Cb 0.53 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1um2 h VAL 454 CO 0.10 0.06 -0.30 -0.09 0.02 0.00 0.00 177.57 177.36 1um2 h ARG 455 N 0.35 -0.50 -0.70 1.57 9.65 -1.47 -0.95 114.38 122.33 1um2 h ARG 455 Ca 0.31 0.03 0.20 0.00 -1.10 0.00 0.00 59.98 59.42 1um2 h ARG 455 Cb 0.41 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.07 1um2 h ARG 455 CO -0.33 -0.33 0.63 -0.22 2.80 0.00 0.00 179.97 182.51 1um2 h LYS 456 N -0.52 0.00 -0.00 0.20 3.11 -1.51 -0.85 116.57 117.00 1um2 h LYS 456 Ca -0.02 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.79 1um2 h LYS 456 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1um2 h LYS 456 CO -0.10 0.00 -0.10 0.00 -2.81 0.00 0.00 179.45 176.44 1um2 h ALA 457 N 1.40 0.01 -2.36 5.00 0.00 -1.18 -3.46 119.26 118.67 1um2 h ALA 457 Ca 0.33 -0.43 -0.58 0.00 0.00 0.00 0.00 54.91 54.24 1um2 h ALA 457 Cb 1.58 0.01 0.11 0.00 0.00 0.00 0.00 17.79 19.48 1um2 h ALA 457 CO -0.00 -0.03 0.42 2.41 0.00 0.00 0.00 179.25 182.05 1um2 n THR 458 N -4.63 1.86 -3.79 0.00 -1.04 -0.33 -4.76 114.28 101.61 1um2 n THR 458 Ca -0.10 -0.47 -0.12 0.00 -2.04 0.00 0.00 64.05 61.33 1um2 n THR 458 Cb 0.43 -1.41 -0.08 0.00 -1.82 0.00 0.00 70.33 67.45 1um2 n THR 458 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1um2 s TYR 459 N -0.95 -0.07 0.73 -1.42 1.13 -0.05 -4.75 117.35 111.96 1um2 s TYR 459 Ca 0.58 -0.04 -0.01 0.00 -1.41 0.00 0.00 57.07 56.19 1um2 s TYR 459 Cb -0.61 0.05 0.13 0.00 -1.10 0.00 0.00 41.96 40.43 1um2 s TYR 459 CO 0.60 -0.45 1.00 -0.65 -2.51 0.00 0.00 175.55 173.55 1um2 s GLN 460 N -2.22 1.65 0.19 -3.49 -0.21 -0.54 -0.55 119.66 114.49 1um2 s GLN 460 Ca -0.07 -1.12 0.04 0.00 0.02 0.00 0.00 55.36 54.22 1um2 s GLN 460 Cb -0.02 -2.32 -0.05 0.00 1.00 0.00 0.00 33.01 31.61 1um2 s GLN 460 CO -0.02 -1.47 -0.05 0.95 -2.12 0.00 0.00 175.29 172.59 1um2 s THR 461 N -3.16 1.08 -0.03 -0.19 -4.23 -1.26 -0.55 115.64 107.30 1um2 s THR 461 Ca 0.67 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1um2 s THR 461 Cb -0.05 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.68 1um2 s THR 461 CO 0.44 -0.51 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.24 1um2 s TYR 462 N -3.39 0.67 0.14 3.99 -0.85 -0.84 -0.46 117.35 116.61 1um2 s TYR 462 Ca 0.23 -0.16 -0.02 0.00 -0.52 0.00 0.00 57.07 56.60 1um2 s TYR 462 Cb 0.04 -0.54 -0.05 0.00 0.38 0.00 0.00 41.96 41.80 1um2 s TYR 462 CO 0.05 -0.11 0.34 0.00 -1.52 0.00 0.00 175.55 174.31 1um2 s ALA 463 N 0.47 3.86 1.43 9.51 0.00 0.01 -2.01 121.76 135.03 1um2 s ALA 463 Ca -0.06 -0.73 -0.24 0.00 0.00 0.00 0.00 51.96 50.94 1um2 s ALA 463 Cb -0.10 -2.01 0.37 0.00 0.00 0.00 0.00 23.12 21.38 1um2 s ALA 463 CO 0.00 0.62 0.95 -1.25 0.00 0.00 0.00 175.76 176.08 1um2 s PRO 464 N -2.86 -3.00 -0.35 0.00 0.04 -1.26 -4.80 135.00 122.77 1um2 s PRO 464 Ca 0.39 0.00 -0.03 0.00 0.04 0.00 0.00 61.00 61.40 1um2 s PRO 464 Cb -0.12 -1.38 0.07 0.00 0.04 0.00 0.00 34.50 33.11 1um2 s PRO 464 CO 0.27 -4.89 0.09 0.42 0.04 0.00 0.00 177.00 172.93 1um2 s ILE 465 N -2.36 3.20 -0.36 0.56 1.01 0.48 -4.94 121.20 118.79 1um2 s ILE 465 Ca 0.69 -1.62 0.23 0.00 0.00 0.00 0.00 60.65 59.95 1um2 s ILE 465 Cb -0.11 -2.98 0.11 0.00 0.01 0.00 0.00 42.46 39.49 1um2 s ILE 465 CO 0.57 -0.35 1.26 -0.07 0.00 0.00 0.00 174.94 176.35 1um2 h LEU 466 N 8.04 0.00 -9.89 2.97 3.38 -1.90 -3.45 115.31 114.46 1um2 h LEU 466 Ca -0.18 -0.03 -0.57 0.00 0.09 0.00 0.00 57.88 57.20 1um2 h LEU 466 Cb 1.06 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.97 1um2 h LEU 466 CO 0.61 0.01 0.17 0.00 0.09 0.00 0.00 178.44 179.32 1um2 n TYR 467 N -2.71 0.91 -3.44 1.13 9.36 -1.26 -4.98 117.16 116.16 1um2 n TYR 467 Ca 0.02 0.42 -0.25 0.00 3.32 0.00 0.00 57.90 61.41 1um2 n TYR 467 Cb 0.53 -2.14 -0.11 0.00 -0.63 0.00 0.00 39.34 36.98 1um2 n TYR 467 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1um2 s GLU 468 N -2.96 0.47 0.00 2.98 2.02 -1.26 -4.56 118.70 115.39 1um2 s GLU 468 Ca 0.77 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1um2 s GLU 468 Cb -0.39 -1.05 0.00 0.00 0.10 0.00 0.00 34.13 32.79 1um2 s GLU 468 CO 0.46 -1.15 0.00 0.27 0.02 0.00 0.00 175.26 174.86 1um2 n ASN 469 N 4.48 0.00 -0.42 -0.19 0.23 -0.38 -4.78 115.26 114.19 1um2 n ASN 469 Ca 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 1um2 n ASN 469 Cb 0.41 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 1um2 n ASN 469 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1um2 n ASP 470 N 0.00 0.00 0.30 0.53 -0.08 -1.26 -4.07 116.55 111.96 1um2 n ASP 470 Ca 0.00 -1.28 0.04 0.00 -1.51 0.00 0.00 54.79 52.04 1um2 n ASP 470 Cb 0.00 -0.06 0.19 0.00 2.34 0.00 0.00 41.12 43.59 1um2 n ASP 470 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1um2 h HIS 471 N 0.00 0.00 0.00 -0.67 2.76 -1.95 -1.31 115.15 113.98 1um2 h HIS 471 Ca 0.00 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1um2 h HIS 471 Cb 1.11 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.05 1um2 h HIS 471 CO -0.14 0.00 -0.77 0.35 -1.30 0.00 0.00 177.93 176.07 1um2 h PHE 472 N 0.00 0.00 -0.83 5.26 3.57 -1.96 -2.97 116.94 120.01 1um2 h PHE 472 Ca 0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1um2 h PHE 472 Cb 1.57 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 40.23 1um2 h PHE 472 CO 0.00 0.80 0.47 0.35 -2.23 0.00 0.00 178.31 177.69 1um2 h PHE 473 N -1.00 0.84 0.00 0.41 3.04 -1.63 -2.40 116.94 116.19 1um2 h PHE 473 Ca -0.16 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.82 1um2 h PHE 473 Cb 0.89 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.14 1um2 h PHE 473 CO -0.00 0.32 0.00 -0.25 -2.02 0.00 0.00 178.31 176.36 1um2 n ASP 474 N -4.76 0.00 -0.06 0.41 8.00 -0.81 -1.43 116.55 117.89 1um2 n ASP 474 Ca 0.14 0.48 0.09 0.00 0.71 0.00 0.00 54.79 56.21 1um2 n ASP 474 Cb 0.30 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.54 1um2 n ASP 474 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1um2 n TYR 475 N -0.65 0.00 -3.26 1.24 9.36 -1.00 -1.89 117.16 120.96 1um2 n TYR 475 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 1um2 n TYR 475 Cb 0.00 -0.08 -0.01 0.00 -0.63 0.00 0.00 39.34 38.61 1um2 n TYR 475 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1um2 n MET 476 N -1.91 3.71 0.00 2.98 2.81 -0.52 -4.03 117.12 120.16 1um2 n MET 476 Ca 0.08 -4.52 0.00 0.00 -1.81 0.00 0.00 57.70 51.45 1um2 n MET 476 Cb 0.54 -2.49 0.00 0.00 -0.71 0.00 0.00 33.22 30.56 1um2 n MET 476 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1um2 n GLN 477 N 1.95 0.00 0.06 0.03 1.13 -0.79 -4.75 117.38 115.01 1um2 n GLN 477 Ca 0.25 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.28 1um2 n GLN 477 Cb 0.36 -0.10 -0.08 0.00 0.11 0.00 0.00 30.24 30.53 1um2 n GLN 477 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1um2 h LYS 478 N 0.00 0.00 -5.63 -1.09 -0.00 -1.81 -3.47 116.57 104.56 1um2 h LYS 478 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 60.65 60.09 1um2 h LYS 478 Cb 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 32.23 32.41 1um2 h LYS 478 CO 0.00 0.61 -1.16 -1.13 -0.00 0.00 0.00 179.45 177.77 1um2 n SER 479 N -3.15 -3.70 -3.36 7.07 3.41 -1.26 -4.87 113.62 107.76 1um2 n SER 479 Ca -0.05 0.56 -0.40 0.00 -0.26 0.00 0.00 58.87 58.72 1um2 n SER 479 Cb 0.89 -0.79 0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1um2 n SER 479 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1um2 n LYS 480 N 1.52 4.43 0.00 4.33 4.76 -1.26 -4.03 118.16 127.91 1um2 n LYS 480 Ca 0.06 -4.26 0.00 0.00 -2.87 0.00 0.00 58.31 51.25 1um2 n LYS 480 Cb 0.45 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.25 1um2 n LYS 480 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1um2 n PHE 481 N -0.24 0.00 -2.49 2.13 3.72 -1.26 -4.85 117.46 114.47 1um2 n PHE 481 Ca 0.49 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.87 1um2 n PHE 481 Cb 0.25 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.78 1um2 n PHE 481 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1um2 n HIS 482 N -0.37 -3.12 -0.73 1.38 -0.00 -1.26 -4.63 115.22 106.49 1um2 n HIS 482 Ca 0.00 1.84 -0.33 0.00 -0.00 0.00 0.00 57.72 59.23 1um2 n HIS 482 Cb 0.02 -2.92 -0.07 0.00 -0.00 0.00 0.00 29.99 27.02 1um2 n HIS 482 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 1um2 n LEU 483 N 1.95 0.39 -4.87 0.27 -0.00 -1.26 -4.96 117.00 108.52 1um2 n LEU 483 Ca -0.13 0.35 -0.21 0.00 -0.00 0.00 0.00 56.01 56.02 1um2 n LEU 483 Cb 0.21 -0.51 -0.03 0.00 -0.00 0.00 0.00 43.42 43.08 1um2 n LEU 483 CO 0.13 -0.43 -0.07 -0.89 -0.00 0.00 0.00 177.39 176.13 1um2 s THR 484 N 3.61 3.74 0.12 1.47 2.01 -1.26 -5.01 115.64 120.33 1um2 s THR 484 Ca 0.69 -1.31 0.13 0.00 0.31 0.00 0.00 61.69 61.52 1um2 s THR 484 Cb -0.83 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1um2 s THR 484 CO 0.36 -0.19 1.55 -0.29 -0.69 0.00 0.00 174.62 175.36 1um2 h ILE 485 N 1.21 1.21 -0.69 1.82 6.09 -1.98 -2.07 117.51 123.10 1um2 h ILE 485 Ca -0.45 -2.22 -0.14 0.00 -1.37 0.00 0.00 64.86 60.68 1um2 h ILE 485 Cb 1.25 2.28 -0.08 0.00 0.47 0.00 0.00 36.82 40.74 1um2 h ILE 485 CO 0.58 0.59 0.17 -0.62 -3.07 0.00 0.00 178.15 175.80 1um2 n GLU 486 N -3.50 4.24 0.00 2.19 1.02 -1.26 -4.76 120.64 118.57 1um2 n GLU 486 Ca 0.00 -3.13 0.00 0.00 -0.02 0.00 0.00 57.16 54.01 1um2 n GLU 486 Cb 0.67 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1um2 n GLU 486 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1um2 n GLY 487 N 0.17 -3.29 0.29 0.62 0.00 -0.78 -2.23 105.19 99.96 1um2 n GLY 487 Ca 0.36 0.52 -0.11 0.00 0.00 0.00 0.00 46.02 46.79 1um2 n GLY 487 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1um2 h PRO 488 N 0.00 -0.38 0.00 1.61 0.11 -1.85 -2.94 132.00 128.54 1um2 h PRO 488 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1um2 h PRO 488 Cb 0.00 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1um2 h PRO 488 CO 0.00 -0.25 0.00 1.63 -0.21 0.00 0.00 178.00 179.17 1um2 n LYS 489 N -5.37 0.00 -0.28 1.05 4.01 -1.25 0.17 118.16 116.48 1um2 n LYS 489 Ca -0.05 0.73 0.27 0.00 -0.51 0.00 0.00 58.31 58.76 1um2 n LYS 489 Cb 0.29 -1.43 0.48 0.00 -0.51 0.00 0.00 35.03 33.86 1um2 n LYS 489 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1um2 n VAL 490 N -2.36 -0.30 -0.07 -0.18 0.31 -0.95 0.52 118.33 115.31 1um2 n VAL 490 Ca 0.00 1.55 -0.17 0.00 -0.01 0.00 0.00 64.34 65.72 1um2 n VAL 490 Cb 0.00 -2.53 -0.13 0.00 -0.91 0.00 0.00 33.84 30.27 1um2 n VAL 490 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1um2 h LEU 491 N 0.00 0.04 -0.50 7.52 5.85 -1.11 -2.99 115.31 124.12 1um2 h LEU 491 Ca 0.68 -0.85 0.09 0.00 0.84 0.00 0.00 57.88 58.64 1um2 h LEU 491 Cb 1.90 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.81 1um2 h LEU 491 CO -0.54 1.19 -0.34 0.00 -0.34 0.00 0.00 178.44 178.40 1um2 h ALA 492 N -0.14 -0.13 -0.07 1.25 0.00 0.68 0.60 119.26 121.46 1um2 h ALA 492 Ca -0.12 0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1um2 h ALA 492 Cb 1.15 0.77 -0.05 0.00 0.00 0.00 0.00 17.79 19.66 1um2 h ALA 492 CO -0.05 -0.71 -0.29 -0.92 0.00 0.00 0.00 179.25 177.28 1um2 h TYR 493 N -0.21 -0.78 -0.32 0.00 3.20 0.03 -0.39 116.97 118.50 1um2 h TYR 493 Ca 0.20 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1um2 h TYR 493 Cb 0.55 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1um2 h TYR 493 CO -0.60 -0.37 0.14 -0.07 -1.64 0.00 0.00 178.16 175.61 1um2 h LEU 494 N -0.39 0.39 -0.00 2.82 3.38 -0.65 1.06 115.31 121.92 1um2 h LEU 494 Ca 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1um2 h LEU 494 Cb 0.51 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1um2 h LEU 494 CO -0.29 0.35 -0.00 -0.07 0.09 0.00 0.00 178.44 178.52 1um2 h LEU 495 N 0.44 0.01 -0.42 1.67 3.38 0.54 0.68 115.31 121.60 1um2 h LEU 495 Ca 0.11 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1um2 h LEU 495 Cb 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1um2 h LEU 495 CO -0.01 0.48 0.26 1.23 0.09 0.00 0.00 178.44 180.49 1um2 h GLY 496 N -0.47 0.59 1.50 0.83 0.00 -0.66 0.76 103.07 105.62 1um2 h GLY 496 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.16 1um2 h GLY 496 CO 0.00 0.18 0.27 -2.00 0.00 0.00 0.00 176.54 175.00 1um2 h LEU 497 N 0.53 0.38 -0.31 3.11 6.46 0.13 -0.70 115.31 124.90 1um2 h LEU 497 Ca 0.16 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1um2 h LEU 497 Cb -0.02 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 1um2 h LEU 497 CO -0.06 0.26 0.01 -0.25 -0.62 0.00 0.00 178.44 177.78 1um2 h TRP 498 N 0.44 0.58 -0.37 1.25 7.01 0.62 -2.87 115.95 122.61 1um2 h TRP 498 Ca 0.16 -0.10 0.04 0.00 2.11 0.00 0.00 58.89 61.10 1um2 h TRP 498 Cb 0.12 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1um2 h TRP 498 CO -0.00 0.66 0.25 0.82 -2.79 0.00 0.00 178.44 177.38 1um2 h ILE 499 N 0.33 1.01 0.05 2.65 1.08 0.15 -1.17 117.51 121.61 1um2 h ILE 499 Ca 0.09 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1um2 h ILE 499 Cb 0.42 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1um2 h ILE 499 CO 0.01 0.06 -0.03 1.23 -0.69 0.00 0.00 178.15 178.74 1um2 h GLY 500 N 0.36 -0.07 -4.48 5.37 0.00 -1.19 -3.40 103.07 99.66 1um2 h GLY 500 Ca 0.15 0.03 -0.56 0.00 0.00 0.00 0.00 47.33 46.95 1um2 h GLY 500 CO -0.03 -0.03 -0.79 1.22 0.00 0.00 0.00 176.54 176.91 1um2 n ASP 501 N -2.24 4.38 -4.65 0.19 8.00 -1.19 -4.56 116.55 116.49 1um2 n ASP 501 Ca -0.01 -3.60 -0.33 0.00 0.71 0.00 0.00 54.79 51.56 1um2 n ASP 501 Cb 0.03 -0.45 -0.10 0.00 -0.02 0.00 0.00 41.12 40.58 1um2 n ASP 501 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1um2 s GLY 502 N -3.51 1.83 -0.20 0.44 0.00 -0.44 -0.38 107.32 105.06 1um2 s GLY 502 Ca 0.46 -0.92 -0.29 0.00 0.00 0.00 0.00 44.72 43.97 1um2 s GLY 502 CO -0.14 -0.76 1.19 1.08 0.00 0.00 0.00 173.10 174.48 1um2 s LEU 503 N -1.29 4.13 0.63 0.66 1.02 -0.27 -4.93 118.68 118.63 1um2 s LEU 503 Ca 0.17 1.55 0.37 0.00 0.02 0.00 0.00 54.13 56.24 1um2 s LEU 503 Cb -0.11 -3.54 2.11 0.00 0.02 0.00 0.00 46.19 44.67 1um2 s LEU 503 CO 0.07 -0.75 2.31 0.28 0.02 0.00 0.00 176.35 178.27 1um2 h SER 504 N 8.02 0.00 0.29 2.29 0.02 -1.94 -3.12 113.55 119.11 1um2 h SER 504 Ca -0.24 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.38 1um2 h SER 504 Cb 1.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 1um2 h SER 504 CO 0.98 0.00 -1.88 -0.90 -1.14 0.00 0.00 176.83 173.88 1um2 n ASP 505 N -3.48 1.51 -4.45 3.07 5.75 -1.26 -4.97 116.55 112.73 1um2 n ASP 505 Ca -0.03 0.29 -0.26 0.00 -0.01 0.00 0.00 54.79 54.79 1um2 n ASP 505 Cb 0.09 -0.46 -0.11 0.00 -1.03 0.00 0.00 41.12 39.61 1um2 n ASP 505 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1um2 s ARG 506 N -2.57 1.60 0.00 0.11 1.70 -1.18 -4.97 118.95 113.64 1um2 s ARG 506 Ca -0.14 -1.62 -0.03 0.00 -0.47 0.00 0.00 55.73 53.46 1um2 s ARG 506 Cb 0.07 -1.82 -0.14 0.00 -0.57 0.00 0.00 34.95 32.49 1um2 s ARG 506 CO 0.79 0.37 2.56 0.00 -1.08 0.00 0.00 175.30 177.94 1um2 n ALA 507 N -0.12 4.76 -2.42 7.88 0.00 -1.26 -4.43 120.51 124.93 1um2 n ALA 507 Ca -0.09 -0.95 -0.19 0.00 0.00 0.00 0.00 53.44 52.21 1um2 n ALA 507 Cb 0.58 -1.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.04 1um2 n ALA 507 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1um2 s THR 508 N 0.96 1.54 -0.15 0.00 -1.32 -1.26 -4.12 115.64 111.28 1um2 s THR 508 Ca 0.35 -1.93 -0.22 0.00 -1.21 0.00 0.00 61.69 58.68 1um2 s THR 508 Cb 0.17 -1.77 0.05 0.00 -1.51 0.00 0.00 72.50 69.44 1um2 s THR 508 CO 0.00 -0.47 0.56 0.72 -2.21 0.00 0.00 174.62 173.22 1um2 s PHE 509 N -2.45 -0.57 -0.28 9.09 -0.12 -1.15 -1.11 117.98 121.39 1um2 s PHE 509 Ca 0.15 1.26 -0.29 0.00 -0.05 0.00 0.00 56.93 58.00 1um2 s PHE 509 Cb -0.03 0.24 0.00 0.00 -0.63 0.00 0.00 43.02 42.60 1um2 s PHE 509 CO 0.05 -0.38 1.25 -1.54 -0.05 0.00 0.00 175.22 174.54 1um2 s SER 510 N -0.26 6.77 0.03 1.98 1.04 0.49 -2.80 113.70 120.95 1um2 s SER 510 Ca -0.04 1.24 0.06 0.00 0.48 0.00 0.00 55.95 57.69 1um2 s SER 510 Cb -0.03 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 1um2 s SER 510 CO 0.03 -0.99 -0.15 -0.69 0.98 0.00 0.00 173.24 172.43 1um2 s VAL 511 N 4.10 3.05 0.17 5.02 1.01 -0.94 -4.70 120.40 128.12 1um2 s VAL 511 Ca 0.54 -1.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.14 1um2 s VAL 511 Cb -0.16 -2.30 -0.10 0.00 0.00 0.00 0.00 36.38 33.82 1um2 s VAL 511 CO 0.20 0.35 1.53 -0.62 0.00 0.00 0.00 175.10 176.57 1um2 s ASP 512 N -1.44 6.62 -0.02 3.32 -1.08 -1.26 -0.40 116.67 122.40 1um2 s ASP 512 Ca 0.15 2.59 -0.25 0.00 -0.52 0.00 0.00 52.55 54.53 1um2 s ASP 512 Cb -0.11 -2.60 -0.19 0.00 -1.46 0.00 0.00 42.92 38.57 1um2 s ASP 512 CO 0.06 -0.79 1.17 0.77 0.52 0.00 0.00 175.17 176.90 1um2 h SER 513 N 6.58 -0.10 0.00 -0.34 4.64 -1.91 -3.28 113.55 119.15 1um2 h SER 513 Ca -0.43 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 1um2 h SER 513 Cb 1.21 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1um2 h SER 513 CO 0.89 0.39 0.51 0.03 -0.87 0.00 0.00 176.83 177.77 1um2 h ARG 514 N -0.62 0.00 -4.49 4.77 3.08 -1.93 -3.33 114.38 111.86 1um2 h ARG 514 Ca -0.01 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.30 1um2 h ARG 514 Cb 0.50 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.34 1um2 h ARG 514 CO 0.02 0.00 0.54 0.34 -1.07 0.00 0.00 179.97 179.80 1um2 s ASP 515 N -3.36 6.71 -0.01 7.04 -1.08 -1.24 -4.88 116.67 119.85 1um2 s ASP 515 Ca -0.01 -2.37 -0.22 0.00 -0.52 0.00 0.00 52.55 49.42 1um2 s ASP 515 Cb 0.03 -2.32 -0.14 0.00 -1.46 0.00 0.00 42.92 39.04 1um2 s ASP 515 CO 0.11 -0.83 0.97 0.71 0.52 0.00 0.00 175.17 176.64 1um2 h THR 516 N 5.32 0.36 -1.11 1.71 1.35 -1.88 -1.72 112.91 116.93 1um2 h THR 516 Ca 0.14 -0.62 0.31 0.00 -0.55 0.00 0.00 66.41 65.69 1um2 h THR 516 Cb 1.02 0.55 -0.08 0.00 -1.73 0.00 0.00 68.15 67.91 1um2 h THR 516 CO 0.96 0.07 0.74 0.77 -0.25 0.00 0.00 175.52 177.82 1um2 h SER 517 N -1.01 0.30 0.21 5.36 4.64 -1.90 0.62 113.55 121.78 1um2 h SER 517 Ca -0.06 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1um2 h SER 517 Cb 0.54 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1um2 h SER 517 CO 0.09 0.03 -0.10 0.25 -0.87 0.00 0.00 176.83 176.23 1um2 h LEU 518 N 0.25 -0.24 -0.47 5.97 5.85 -1.64 -3.15 115.31 121.88 1um2 h LEU 518 Ca 0.61 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 59.17 1um2 h LEU 518 Cb 1.84 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.86 1um2 h LEU 518 CO -0.23 0.15 0.02 0.24 -0.34 0.00 0.00 178.44 178.28 1um2 h MET 519 N -0.68 0.13 0.00 1.25 2.86 0.11 0.16 114.93 118.76 1um2 h MET 519 Ca -0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1um2 h MET 519 Cb 0.48 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1um2 h MET 519 CO 0.05 0.08 0.00 0.93 1.06 0.00 0.00 176.91 179.03 1um2 h GLU 520 N 0.13 0.00 0.12 1.72 5.08 -0.93 -1.24 114.58 119.46 1um2 h GLU 520 Ca 0.23 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.38 1um2 h GLU 520 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1um2 h GLU 520 CO -0.37 0.00 -1.05 -0.09 -1.00 0.00 0.00 179.01 176.50 1um2 h ARG 521 N 0.00 0.25 -0.26 2.33 9.65 -0.86 0.32 114.38 125.80 1um2 h ARG 521 Ca 0.00 -0.42 0.08 0.00 -1.10 0.00 0.00 59.98 58.53 1um2 h ARG 521 Cb 0.22 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 1um2 h ARG 521 CO 0.00 1.20 0.21 0.28 2.80 0.00 0.00 179.97 184.46 1um2 h VAL 522 N -0.40 0.73 0.00 0.20 2.07 0.31 -1.93 116.25 117.22 1um2 h VAL 522 Ca -0.21 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.14 1um2 h VAL 522 Cb 1.65 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1um2 h VAL 522 CO 0.09 0.00 -1.12 0.41 0.02 0.00 0.00 177.57 176.97 1um2 n THR 523 N -4.24 1.50 -0.30 2.57 -1.04 -0.64 -2.51 114.28 109.62 1um2 n THR 523 Ca 0.03 0.03 0.15 0.00 -2.04 0.00 0.00 64.05 62.22 1um2 n THR 523 Cb 0.36 -2.15 0.29 0.00 -1.82 0.00 0.00 70.33 67.02 1um2 n THR 523 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1um2 n GLU 524 N -4.48 -0.07 0.09 -2.82 2.13 0.11 -0.81 120.64 114.80 1um2 n GLU 524 Ca -0.26 1.29 -0.09 0.00 0.66 0.00 0.00 57.16 58.76 1um2 n GLU 524 Cb 0.56 -2.09 -0.06 0.00 0.27 0.00 0.00 31.44 30.12 1um2 n GLU 524 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1um2 h TYR 525 N 0.00 -0.28 -1.00 4.31 -1.99 -1.52 -2.81 116.97 113.69 1um2 h TYR 525 Ca 0.56 -0.01 0.35 0.00 2.00 0.00 0.00 58.73 61.63 1um2 h TYR 525 Cb 1.21 0.09 -0.16 0.00 2.00 0.00 0.00 36.73 39.87 1um2 h TYR 525 CO -0.38 0.07 0.53 0.00 -0.00 0.00 0.00 178.16 178.38 1um2 h ALA 526 N -0.58 1.99 -0.01 3.88 0.00 -0.67 1.13 119.26 125.00 1um2 h ALA 526 Ca -0.03 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1um2 h ALA 526 Cb 0.47 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1um2 h ALA 526 CO 0.05 -0.71 -0.17 0.39 0.00 0.00 0.00 179.25 178.82 1um2 n GLU 527 N -5.14 1.28 0.02 0.00 1.02 -0.62 -0.80 120.64 116.39 1um2 n GLU 527 Ca 0.33 -0.82 -0.04 0.00 -0.02 0.00 0.00 57.16 56.62 1um2 n GLU 527 Cb 1.08 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.91 1um2 n GLU 527 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1um2 h LYS 528 N 1.99 0.00 0.00 3.49 1.57 0.15 -3.16 116.57 120.62 1um2 h LYS 528 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1um2 h LYS 528 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1um2 h LYS 528 CO 0.00 0.44 -0.44 -0.07 -0.57 0.00 0.00 179.45 178.81 1um2 h LEU 529 N 0.00 0.00 0.00 2.94 3.38 -1.26 -3.48 115.31 116.88 1um2 h LEU 529 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1um2 h LEU 529 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1um2 h LEU 529 CO 0.07 0.44 0.00 -3.20 0.09 0.00 0.00 178.44 175.84 1um2 n ASN 530 N -3.24 0.00 -2.81 -0.43 5.15 -1.18 -4.67 115.26 108.08 1um2 n ASN 530 Ca 0.02 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.98 1um2 n ASN 530 Cb 0.69 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.95 1um2 n ASN 530 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1um2 s LEU 531 N 0.00 -0.88 -0.23 1.20 2.34 0.02 -4.70 118.68 116.43 1um2 s LEU 531 Ca 0.00 -0.84 -0.21 0.00 0.06 0.00 0.00 54.13 53.14 1um2 s LEU 531 Cb 0.00 1.15 -0.09 0.00 -0.56 0.00 0.00 46.19 46.69 1um2 s LEU 531 CO 0.00 -0.05 0.81 0.00 -1.06 0.00 0.00 176.35 176.04 1um2 n ALA 533 N 2.33 2.57 0.00 0.00 0.00 -1.26 -4.37 120.51 119.79 1um2 n ALA 533 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1um2 n ALA 533 Cb -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1um2 n ALA 533 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1um2 n GLU 534 N -0.15 0.00 -0.88 0.00 1.02 -1.26 -3.91 120.64 115.46 1um2 n GLU 534 Ca 0.17 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.01 1um2 n GLU 534 Cb 0.24 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 31.91 1um2 n GLU 534 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1um2 s TYR 535 N 0.00 0.36 0.00 -0.32 -0.85 -1.26 -3.91 117.35 111.37 1um2 s TYR 535 Ca 0.00 0.58 0.00 0.00 -0.52 0.00 0.00 57.07 57.13 1um2 s TYR 535 Cb 0.00 -3.29 0.00 0.00 0.38 0.00 0.00 41.96 39.05 1um2 s TYR 535 CO 0.00 -4.10 0.00 1.17 -1.52 0.00 0.00 175.55 171.10 1um2 n LYS 536 N -4.95 0.57 -2.57 -3.49 4.81 -0.56 -4.81 118.16 107.16 1um2 n LYS 536 Ca 0.12 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.14 1um2 n LYS 536 Cb 0.59 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.61 1um2 n LYS 536 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1um2 s ASP 537 N -1.00 7.26 -0.01 3.14 2.15 -1.26 -5.01 116.67 121.94 1um2 s ASP 537 Ca 0.00 1.90 -0.06 0.00 0.43 0.00 0.00 52.55 54.82 1um2 s ASP 537 Cb 0.00 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.00 1um2 s ASP 537 CO 0.00 -0.30 0.58 -0.09 -0.17 0.00 0.00 175.17 175.19 1um2 h ARG 538 N 6.26 -0.20 -6.33 4.34 9.65 -1.98 -3.42 114.38 122.70 1um2 h ARG 538 Ca -0.42 0.01 -0.57 0.00 -1.10 0.00 0.00 59.98 57.90 1um2 h ARG 538 Cb 1.21 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.81 1um2 h ARG 538 CO 0.76 -0.13 1.11 0.15 2.80 0.00 0.00 179.97 184.65 1um2 s LYS 539 N -2.52 3.73 -0.21 0.20 1.02 -1.26 -4.96 119.74 115.74 1um2 s LYS 539 Ca -0.03 1.46 -0.04 0.00 0.02 0.00 0.00 55.97 57.37 1um2 s LYS 539 Cb 0.00 -4.02 0.08 0.00 -0.52 0.00 0.00 37.83 33.37 1um2 s LYS 539 CO 0.09 -1.36 0.16 -2.00 -0.92 0.00 0.00 175.35 171.31 1um2 s GLU 540 N 4.73 0.15 0.00 1.68 2.12 -1.26 -5.01 118.70 121.10 1um2 s GLU 540 Ca 0.68 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.94 1um2 s GLU 540 Cb -0.21 -1.42 0.00 0.00 0.26 0.00 0.00 34.13 32.75 1um2 s GLU 540 CO 0.29 -0.75 0.56 -0.35 -0.54 0.00 0.00 175.26 174.47 1um2 n PRO 541 N 5.29 0.00 -3.75 4.30 -0.04 -1.26 -4.37 135.00 135.17 1um2 n PRO 541 Ca -0.06 0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.17 1um2 n PRO 541 Cb 0.48 -1.82 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 1um2 n PRO 541 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1um2 s GLN 542 N -2.12 3.59 0.19 0.54 -0.21 -1.26 -5.01 119.66 115.38 1um2 s GLN 542 Ca 0.00 -0.06 -0.06 0.00 0.02 0.00 0.00 55.36 55.26 1um2 s GLN 542 Cb 0.00 -3.07 0.11 0.00 1.00 0.00 0.00 33.01 31.05 1um2 s GLN 542 CO 0.00 0.64 1.58 0.28 -2.12 0.00 0.00 175.29 175.67 1um2 h VAL 543 N 3.00 1.27 -3.24 1.09 2.07 -2.00 -3.42 116.25 115.03 1um2 h VAL 543 Ca -0.50 -1.40 -0.58 0.00 0.82 0.00 0.00 66.70 65.04 1um2 h VAL 543 Cb 1.20 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 1um2 h VAL 543 CO 0.66 0.47 0.54 0.00 0.02 0.00 0.00 177.57 179.26 1um2 s ALA 544 N -4.56 3.59 1.08 1.67 0.00 -1.26 -3.49 121.76 118.79 1um2 s ALA 544 Ca -0.10 0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.80 1um2 s ALA 544 Cb 0.13 -3.35 0.17 0.00 0.00 0.00 0.00 23.12 20.06 1um2 s ALA 544 CO 0.85 -0.83 0.74 1.63 0.00 0.00 0.00 175.76 178.16 1um2 n LYS 545 N 5.71 -1.63 -4.44 0.00 5.02 0.47 -4.82 118.16 118.47 1um2 n LYS 545 Ca 0.07 -1.17 -0.23 0.00 -2.02 0.00 0.00 58.31 54.96 1um2 n LYS 545 Cb 0.48 -0.94 -0.16 0.00 -0.02 0.00 0.00 35.03 34.39 1um2 n LYS 545 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1um2 s THR 546 N -2.49 0.91 -0.02 -0.18 2.01 -1.26 -2.20 115.64 112.41 1um2 s THR 546 Ca 0.45 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 62.16 1um2 s THR 546 Cb -0.03 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1um2 s THR 546 CO 0.33 0.30 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.66 1um2 s VAL 547 N 0.68 2.43 0.15 3.82 1.01 -1.12 -1.49 120.40 125.88 1um2 s VAL 547 Ca -0.13 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 60.92 1um2 s VAL 547 Cb -0.15 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1um2 s VAL 547 CO 0.02 0.55 -0.10 0.20 0.00 0.00 0.00 175.10 175.77 1um2 s ASN 548 N -0.76 4.28 -0.10 3.32 0.02 -1.25 -2.92 114.94 117.51 1um2 s ASN 548 Ca 0.11 -0.51 -0.04 0.00 -1.02 0.00 0.00 52.86 51.40 1um2 s ASN 548 Cb -0.10 -0.75 0.05 0.00 0.02 0.00 0.00 41.25 40.47 1um2 s ASN 548 CO 0.00 0.13 0.20 -0.76 0.02 0.00 0.00 177.10 176.69 1um2 s LEU 549 N -2.57 -0.16 0.32 0.60 1.02 -1.26 -4.25 118.68 112.39 1um2 s LEU 549 Ca 0.23 0.41 0.05 0.00 0.02 0.00 0.00 54.13 54.84 1um2 s LEU 549 Cb -0.10 0.43 -0.03 0.00 0.02 0.00 0.00 46.19 46.52 1um2 s LEU 549 CO 0.14 -0.25 0.29 -0.31 0.02 0.00 0.00 176.35 176.25 1um2 s TYR 550 N 2.34 1.59 0.00 0.29 2.02 -1.26 -4.86 117.35 117.47 1um2 s TYR 550 Ca 0.03 -1.58 0.00 0.00 -0.37 0.00 0.00 57.07 55.15 1um2 s TYR 550 Cb -0.12 -0.60 0.00 0.00 -0.40 0.00 0.00 41.96 40.83 1um2 s TYR 550 CO -0.07 -0.89 0.00 -1.13 -1.57 0.00 0.00 175.55 171.89 1um2 n SER 551 N -1.39 2.22 -0.00 2.29 3.41 -1.26 -4.14 113.62 114.74 1um2 n SER 551 Ca 0.06 -0.16 -0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1um2 n SER 551 Cb 0.63 0.76 -0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1um2 n SER 551 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1um2 n LEU 563 N -0.98 1.78 0.00 1.04 0.00 -1.26 -4.86 117.00 112.72 1um2 n LEU 563 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1um2 n LEU 563 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1um2 n LEU 563 CO 0.00 0.30 0.00 0.59 0.00 0.00 0.00 177.39 178.28 1um2 n ASN 564 N -2.30 0.00 -3.33 1.96 3.02 -1.26 -4.09 115.26 109.25 1um2 n ASN 564 Ca -0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 1um2 n ASN 564 Cb 0.50 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.97 1um2 n ASN 564 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1um2 s THR 565 N 0.00 1.11 0.00 3.41 -4.23 -1.26 -2.18 115.64 112.49 1um2 s THR 565 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1um2 s THR 565 Cb 0.00 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1um2 s THR 565 CO 0.00 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.46 1um2 n GLU 566 N -5.74 0.00 -3.07 3.99 -0.58 -1.26 -4.88 120.64 109.10 1um2 n GLU 566 Ca 0.13 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.48 1um2 n GLU 566 Cb 0.60 -2.38 -0.05 0.00 -0.57 0.00 0.00 31.44 29.05 1um2 n GLU 566 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1um2 s ASN 567 N -0.73 6.88 0.06 1.62 3.84 -0.93 -5.00 114.94 120.69 1um2 s ASN 567 Ca 0.00 1.06 -0.13 0.00 0.21 0.00 0.00 52.86 54.00 1um2 s ASN 567 Cb 0.00 -2.39 -0.03 0.00 -0.55 0.00 0.00 41.25 38.28 1um2 s ASN 567 CO 0.00 -0.18 1.23 1.55 -2.79 0.00 0.00 177.10 176.91 1um2 h PRO 568 N 7.00 -0.04 -0.73 0.43 0.13 -1.89 -2.43 132.00 134.47 1um2 h PRO 568 Ca -0.37 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.72 1um2 h PRO 568 Cb 1.17 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1um2 h PRO 568 CO 0.77 -0.03 0.30 1.25 -0.23 0.00 0.00 178.00 180.06 1um2 h LEU 569 N -0.05 1.00 -2.17 1.56 5.85 -1.94 -2.84 115.31 116.73 1um2 h LEU 569 Ca 0.06 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1um2 h LEU 569 Cb 0.19 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1um2 h LEU 569 CO -0.36 0.89 -0.06 -0.25 -0.34 0.00 0.00 178.44 178.33 1um2 h TRP 570 N 1.05 0.00 0.01 1.25 2.91 -1.78 -2.45 115.95 116.94 1um2 h TRP 570 Ca 0.25 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.26 1um2 h TRP 570 Cb 0.20 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 1um2 h TRP 570 CO 0.02 0.06 -0.01 -0.44 -1.03 0.00 0.00 178.44 177.04 1um2 h ASP 571 N 0.00 -0.01 -0.79 2.65 3.32 -1.19 -3.07 116.42 117.33 1um2 h ASP 571 Ca -0.00 -0.59 0.18 0.00 0.02 0.00 0.00 57.03 56.64 1um2 h ASP 571 Cb 0.25 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 1um2 h ASP 571 CO 0.01 0.59 0.54 0.00 -1.72 0.00 0.00 179.24 178.65 1um2 h ALA 572 N 0.35 2.29 0.00 3.45 0.00 -1.46 1.18 119.26 125.07 1um2 h ALA 572 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1um2 h ALA 572 Cb 0.60 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1um2 h ALA 572 CO 0.00 -0.53 -0.02 0.82 0.00 0.00 0.00 179.25 179.52 1um2 h ILE 573 N 0.30 0.06 0.00 0.00 2.04 -1.37 -2.62 117.51 115.93 1um2 h ILE 573 Ca 0.39 -0.58 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 1um2 h ILE 573 Cb 1.09 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1um2 h ILE 573 CO -0.11 0.02 -1.36 0.52 0.00 0.00 0.00 178.15 177.22 1um2 n VAL 574 N -3.13 0.36 -0.00 1.67 0.31 -0.04 -2.79 118.33 114.71 1um2 n VAL 574 Ca 0.01 -0.15 -0.09 0.00 -0.01 0.00 0.00 64.34 64.09 1um2 n VAL 574 Cb 0.32 -0.75 -0.03 0.00 -0.91 0.00 0.00 33.84 32.47 1um2 n VAL 574 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1um2 h GLY 575 N 0.59 -0.14 1.57 2.92 0.00 0.12 -3.04 103.07 105.09 1um2 h GLY 575 Ca -0.14 0.23 -0.18 0.00 0.00 0.00 0.00 47.33 47.24 1um2 h GLY 575 CO -0.02 -0.18 -0.69 1.41 0.00 0.00 0.00 176.54 177.06 1um2 h LEU 576 N -0.24 0.50 0.00 3.11 3.38 -1.65 -3.48 115.31 116.93 1um2 h LEU 576 Ca 0.10 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1um2 h LEU 576 Cb 0.39 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1um2 h LEU 576 CO -0.28 1.04 0.00 0.61 0.09 0.00 0.00 178.44 179.90 1um2 n GLY 577 N 0.49 0.60 0.00 0.83 0.00 -1.15 -4.86 105.19 101.10 1um2 n GLY 577 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1um2 n GLY 577 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1um2 n PHE 578 N 0.00 0.00 -3.64 1.61 3.72 -1.12 -4.24 117.46 113.79 1um2 n PHE 578 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 1um2 n PHE 578 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 1um2 n PHE 578 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1um2 s LEU 579 N -0.96 -0.65 0.06 4.37 2.96 -1.12 -2.61 118.68 120.73 1um2 s LEU 579 Ca 0.00 1.13 -0.23 0.00 -0.22 0.00 0.00 54.13 54.81 1um2 s LEU 579 Cb 0.00 2.09 0.06 0.00 0.50 0.00 0.00 46.19 48.84 1um2 s LEU 579 CO 0.00 -0.19 0.55 -1.59 -1.32 0.00 0.00 176.35 173.80 1um2 s LYS 580 N 0.88 1.09 -1.59 1.98 -2.85 -1.20 -4.83 119.74 113.23 1um2 s LYS 580 Ca -0.04 -0.25 -0.04 0.00 -1.00 0.00 0.00 55.97 54.64 1um2 s LYS 580 Cb -0.05 0.50 0.04 0.00 -2.06 0.00 0.00 37.83 36.27 1um2 s LYS 580 CO -0.10 -0.41 0.10 -0.25 0.10 0.00 0.00 175.35 174.79 1um2 n ASP 581 N 0.26 0.46 0.00 0.03 8.00 -1.26 -1.84 116.55 122.21 1um2 n ASP 581 Ca -0.18 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.06 1um2 n ASP 581 Cb 0.61 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 1um2 n ASP 581 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1um2 n GLY 582 N -2.30 0.12 3.80 0.44 0.00 -1.26 -4.90 105.19 101.09 1um2 n GLY 582 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1um2 n GLY 582 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1um2 s VAL 583 N 0.00 3.84 0.56 1.61 -7.23 -0.77 -4.93 120.40 113.48 1um2 s VAL 583 Ca 0.00 1.16 -0.20 0.00 -1.81 0.00 0.00 61.98 61.14 1um2 s VAL 583 Cb 0.00 -3.48 -0.06 0.00 0.56 0.00 0.00 36.38 33.40 1um2 s VAL 583 CO 0.00 -0.23 0.96 0.29 -0.31 0.00 0.00 175.10 175.81 1um2 n LYS 584 N -0.87 0.99 -3.57 4.82 5.02 -1.26 -3.21 118.16 120.09 1um2 n LYS 584 Ca 0.09 0.38 -0.15 0.00 -2.02 0.00 0.00 58.31 56.61 1um2 n LYS 584 Cb 0.52 -2.13 -0.06 0.00 -0.02 0.00 0.00 35.03 33.35 1um2 n LYS 584 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1um2 s ASN 585 N -1.12 -0.59 -0.49 4.39 2.47 -1.07 -4.28 114.94 114.24 1um2 s ASN 585 Ca 0.73 0.81 -0.14 0.00 0.42 0.00 0.00 52.86 54.68 1um2 s ASN 585 Cb -0.44 0.71 0.10 0.00 -1.45 0.00 0.00 41.25 40.16 1um2 s ASN 585 CO 0.50 -0.43 0.41 -0.63 -3.72 0.00 0.00 177.10 173.22 1um2 s ILE 586 N -0.71 5.02 0.22 -5.21 1.01 -1.25 -4.05 121.20 116.23 1um2 s ILE 586 Ca -0.05 -1.32 -0.32 0.00 0.00 0.00 0.00 60.65 58.96 1um2 s ILE 586 Cb -0.02 -4.11 -0.13 0.00 0.01 0.00 0.00 42.46 38.22 1um2 s ILE 586 CO 0.05 -0.69 1.57 -2.65 0.00 0.00 0.00 174.94 173.22 1um2 n PRO 587 N 5.16 2.39 -0.34 2.79 -0.02 -1.26 -4.73 135.00 138.99 1um2 n PRO 587 Ca -0.12 0.86 -0.02 0.00 -2.02 0.00 0.00 63.50 62.19 1um2 n PRO 587 Cb 0.42 -2.62 0.11 0.00 -0.02 0.00 0.00 33.50 31.39 1um2 n PRO 587 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1um2 h SER 588 N 5.37 1.02 0.00 2.55 4.64 -1.95 -2.97 113.55 122.21 1um2 h SER 588 Ca -0.45 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1um2 h SER 588 Cb 1.24 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1um2 h SER 588 CO 0.84 0.72 0.60 2.19 -0.87 0.00 0.00 176.83 180.31 1um2 h PHE 589 N 1.20 0.00 -0.57 4.77 -5.15 -1.96 0.19 116.94 115.43 1um2 h PHE 589 Ca 0.35 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 58.02 1um2 h PHE 589 Cb -0.07 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.08 1um2 h PHE 589 CO -0.01 0.00 -0.05 1.25 -2.00 0.00 0.00 178.31 177.50 1um2 h LEU 590 N 0.00 1.02 -1.84 2.10 5.85 -1.90 -2.92 115.31 117.62 1um2 h LEU 590 Ca 0.00 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.53 1um2 h LEU 590 Cb 1.19 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1um2 h LEU 590 CO 0.00 1.10 0.36 0.28 -0.34 0.00 0.00 178.44 179.84 1um2 h SER 591 N 0.93 0.16 -0.43 1.25 0.02 -1.18 0.13 113.55 114.43 1um2 h SER 591 Ca 0.16 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1um2 h SER 591 Cb 0.61 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1um2 h SER 591 CO 0.04 0.09 0.00 0.35 -1.14 0.00 0.00 176.83 176.17 1um2 n THR 592 N -4.44 2.03 -2.79 -2.27 -2.24 -1.12 -4.88 114.28 98.58 1um2 n THR 592 Ca 0.09 -1.47 -0.22 0.00 -2.27 0.00 0.00 64.05 60.18 1um2 n THR 592 Cb 0.46 -0.03 0.09 0.00 -2.10 0.00 0.00 70.33 68.76 1um2 n THR 592 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1um2 s ASP 593 N -1.31 4.62 -0.20 3.42 -1.08 0.03 -1.25 116.67 120.90 1um2 s ASP 593 Ca 0.43 -0.61 -0.40 0.00 -0.52 0.00 0.00 52.55 51.45 1um2 s ASP 593 Cb 0.31 0.19 -0.17 0.00 -1.46 0.00 0.00 42.92 41.80 1um2 s ASP 593 CO 0.15 -1.68 1.59 -3.20 0.52 0.00 0.00 175.17 172.56 1um2 n ASN 594 N -2.60 1.95 -0.14 -0.34 2.85 -1.26 -4.70 115.26 111.03 1um2 n ASN 594 Ca 0.16 1.10 -0.04 0.00 -0.11 0.00 0.00 54.58 55.69 1um2 n ASN 594 Cb 0.61 -1.11 0.04 0.00 1.24 0.00 0.00 39.78 40.55 1um2 n ASN 594 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1um2 h ILE 595 N 4.62 0.63 -1.03 -1.44 2.04 -1.94 -0.85 117.51 119.54 1um2 h ILE 595 Ca -0.47 -0.03 0.25 0.00 1.00 0.00 0.00 64.86 65.62 1um2 h ILE 595 Cb 1.33 0.55 -0.10 0.00 -0.74 0.00 0.00 36.82 37.86 1um2 h ILE 595 CO 0.90 0.01 0.65 1.23 0.00 0.00 0.00 178.15 180.94 1um2 h GLY 596 N 0.07 1.40 2.00 5.37 0.00 -1.99 0.46 103.07 110.39 1um2 h GLY 596 Ca 0.22 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1um2 h GLY 596 CO -0.39 -0.15 -0.37 -0.84 0.00 0.00 0.00 176.54 174.78 1um2 h THR 597 N 0.46 0.75 0.09 4.70 2.02 -1.53 0.40 112.91 119.80 1um2 h THR 597 Ca 0.60 -1.69 -0.29 0.00 0.77 0.00 0.00 66.41 65.80 1um2 h THR 597 Cb 1.39 2.10 0.02 0.00 -1.74 0.00 0.00 68.15 69.93 1um2 h THR 597 CO -0.34 0.37 -1.19 0.03 0.37 0.00 0.00 175.52 174.76 1um2 h ARG 598 N 0.00 0.61 0.27 6.66 3.08 0.30 -1.08 114.38 124.21 1um2 h ARG 598 Ca -0.00 -0.78 -0.01 0.00 0.07 0.00 0.00 59.98 59.26 1um2 h ARG 598 Cb 1.07 0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1um2 h ARG 598 CO 0.05 1.34 -0.13 0.93 -1.07 0.00 0.00 179.97 181.09 1um2 h GLU 599 N 0.29 -0.35 -0.33 0.04 5.08 -0.75 -2.38 114.58 116.18 1um2 h GLU 599 Ca -0.17 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1um2 h GLU 599 Cb 1.85 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.17 1um2 h GLU 599 CO 0.23 0.00 0.22 1.15 -1.00 0.00 0.00 179.01 179.61 1um2 h THR 600 N -0.80 1.02 0.11 1.13 2.02 -0.31 0.27 112.91 116.35 1um2 h THR 600 Ca -0.04 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1um2 h THR 600 Cb 0.51 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1um2 h THR 600 CO 0.06 0.06 -0.05 0.15 0.37 0.00 0.00 175.52 176.11 1um2 h PHE 601 N 0.35 -0.13 -0.94 3.16 3.57 -1.15 -2.62 116.94 119.18 1um2 h PHE 601 Ca 0.13 -0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.85 1um2 h PHE 601 Cb 0.11 0.04 -0.17 0.00 2.79 0.00 0.00 35.95 38.72 1um2 h PHE 601 CO -0.00 -0.08 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.85 1um2 h LEU 602 N -0.14 -0.62 -0.74 0.59 3.38 -1.01 0.38 115.31 117.15 1um2 h LEU 602 Ca -0.01 0.27 0.11 0.00 0.09 0.00 0.00 57.88 58.33 1um2 h LEU 602 Cb 0.11 0.50 -0.12 0.00 0.09 0.00 0.00 40.66 41.24 1um2 h LEU 602 CO 0.02 -0.31 -0.43 0.00 0.09 0.00 0.00 178.44 177.82 1um2 h ALA 603 N 1.93 -0.19 -0.15 1.53 0.00 -0.36 0.39 119.26 122.41 1um2 h ALA 603 Ca 0.51 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.62 1um2 h ALA 603 Cb 0.94 1.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 1um2 h ALA 603 CO -0.90 -0.77 -0.05 0.78 0.00 0.00 0.00 179.25 178.31 1um2 h GLY 604 N -0.13 0.09 0.30 0.00 0.00 0.11 0.26 103.07 103.69 1um2 h GLY 604 Ca 0.23 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.67 1um2 h GLY 604 CO -0.79 -0.07 -0.20 -2.00 0.00 0.00 0.00 176.54 173.48 1um2 h LEU 605 N -0.02 -0.63 -0.57 3.11 6.46 -0.23 -1.43 115.31 122.00 1um2 h LEU 605 Ca 0.08 0.12 0.10 0.00 -0.12 0.00 0.00 57.88 58.05 1um2 h LEU 605 Cb 0.14 0.30 -0.08 0.00 -0.73 0.00 0.00 40.66 40.29 1um2 h LEU 605 CO -0.17 -0.25 0.14 0.40 -0.62 0.00 0.00 178.44 177.95 1um2 h ILE 606 N -0.23 0.69 0.00 4.05 2.04 0.23 0.52 117.51 124.81 1um2 h ILE 606 Ca 0.12 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 1um2 h ILE 606 Cb 0.40 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1um2 h ILE 606 CO -0.32 0.05 -0.17 0.44 0.00 0.00 0.00 178.15 178.15 1um2 h ASP 607 N 0.28 0.00 0.00 1.72 3.32 0.03 -2.59 116.42 119.18 1um2 h ASP 607 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1um2 h ASP 607 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1um2 h ASP 607 CO -0.36 0.17 0.00 -0.24 -1.72 0.00 0.00 179.24 177.08 1um2 n SER 608 N -4.24 0.00 -3.90 6.45 2.88 0.16 -4.69 113.62 110.29 1um2 n SER 608 Ca -0.02 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.19 1um2 n SER 608 Cb 0.24 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.62 1um2 n SER 608 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1um2 n ASP 609 N 0.00 3.93 -3.60 -3.46 2.03 -1.11 -4.89 116.55 109.45 1um2 n ASP 609 Ca 0.00 -3.24 -0.16 0.00 0.52 0.00 0.00 54.79 51.90 1um2 n ASP 609 Cb 0.00 -0.90 -0.07 0.00 -0.72 0.00 0.00 41.12 39.43 1um2 n ASP 609 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1um2 s GLY 610 N -1.16 -0.45 0.23 0.27 0.00 -0.97 -3.26 107.32 101.98 1um2 s GLY 610 Ca 0.30 1.08 0.11 0.00 0.00 0.00 0.00 44.72 46.21 1um2 s GLY 610 CO -0.10 0.78 -0.20 -2.52 0.00 0.00 0.00 173.10 171.06 1um2 s TYR 611 N -1.09 2.14 0.16 1.90 -0.85 -0.79 -4.71 117.35 114.11 1um2 s TYR 611 Ca -0.11 -0.39 0.11 0.00 -0.52 0.00 0.00 57.07 56.16 1um2 s TYR 611 Cb -0.02 -0.99 -0.04 0.00 0.38 0.00 0.00 41.96 41.29 1um2 s TYR 611 CO 0.08 0.56 -0.22 0.08 -1.52 0.00 0.00 175.55 174.52 1um2 s VAL 612 N -2.31 2.51 0.19 -3.49 1.01 -1.26 -1.14 120.40 115.91 1um2 s VAL 612 Ca 0.25 -1.83 -0.08 0.00 0.00 0.00 0.00 61.98 60.32 1um2 s VAL 612 Cb -0.05 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1um2 s VAL 612 CO 0.11 -0.02 0.30 0.42 0.00 0.00 0.00 175.10 175.91 1um2 s THR 613 N -1.42 0.04 0.00 3.92 -4.23 -0.87 -4.98 115.64 108.09 1um2 s THR 613 Ca 0.19 -1.53 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 1um2 s THR 613 Cb -0.09 -2.08 0.05 0.00 1.34 0.00 0.00 72.50 71.73 1um2 s THR 613 CO 0.09 -0.16 0.95 -0.90 -0.54 0.00 0.00 174.62 174.06 1um2 n ASP 614 N -0.27 0.10 0.08 3.99 5.68 -1.26 -1.38 116.55 123.49 1um2 n ASP 614 Ca -0.04 -1.85 -0.16 0.00 -0.50 0.00 0.00 54.79 52.24 1um2 n ASP 614 Cb 0.63 -0.17 -0.10 0.00 -1.14 0.00 0.00 41.12 40.35 1um2 n ASP 614 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1um2 h GLU 615 N 0.12 -0.67 -0.50 0.11 5.08 -1.98 -3.06 114.58 113.68 1um2 h GLU 615 Ca -0.04 0.05 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1um2 h GLU 615 Cb 1.40 0.15 -0.28 0.00 0.50 0.00 0.00 28.75 30.53 1um2 h GLU 615 CO 0.00 -0.45 -0.66 0.72 -1.00 0.00 0.00 179.01 177.63 1um2 n HIS 616 N -5.40 1.81 0.00 4.33 8.25 -1.26 -5.04 115.22 117.91 1um2 n HIS 616 Ca -0.08 -1.98 0.00 0.00 -0.26 0.00 0.00 57.72 55.40 1um2 n HIS 616 Cb 0.40 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1um2 n HIS 616 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1um2 n GLY 617 N -0.86 4.00 3.57 -1.41 0.00 -1.16 -5.05 105.19 104.29 1um2 n GLY 617 Ca 0.36 -1.29 -0.46 0.00 0.00 0.00 0.00 46.02 44.63 1um2 n GLY 617 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1um2 n ILE 618 N -0.45 1.60 -3.38 -0.61 0.13 -1.25 -4.22 119.36 111.18 1um2 n ILE 618 Ca 0.00 -0.40 0.02 0.00 -1.10 0.00 0.00 62.75 61.27 1um2 n ILE 618 Cb 0.00 -0.87 -0.03 0.00 -0.84 0.00 0.00 39.64 37.90 1um2 n ILE 618 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1um2 s LYS 619 N -1.09 0.45 0.35 9.51 2.20 -0.48 -4.39 119.74 126.29 1um2 s LYS 619 Ca 0.64 1.00 -0.18 0.00 -0.36 0.00 0.00 55.97 57.07 1um2 s LYS 619 Cb -0.77 0.59 -0.10 0.00 -1.51 0.00 0.00 37.83 36.04 1um2 s LYS 619 CO 0.57 -0.29 0.81 0.00 -0.36 0.00 0.00 175.35 176.09 1um2 s ALA 620 N 2.78 3.24 -0.00 3.13 0.00 -0.30 -2.05 121.76 128.55 1um2 s ALA 620 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1um2 s ALA 620 Cb -0.11 -2.92 -0.00 0.00 0.00 0.00 0.00 23.12 20.09 1um2 s ALA 620 CO -0.18 0.26 -0.00 0.99 0.00 0.00 0.00 175.76 176.82 1um2 s THR 621 N -1.98 0.03 0.05 0.00 2.01 -0.29 -0.44 115.64 115.03 1um2 s THR 621 Ca 0.55 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.57 1um2 s THR 621 Cb -0.11 -0.04 -0.03 0.00 0.01 0.00 0.00 72.50 72.34 1um2 s THR 621 CO 0.17 0.01 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.37 1um2 s ILE 622 N -0.00 0.82 0.29 1.82 1.01 -0.43 -1.89 121.20 122.82 1um2 s ILE 622 Ca 0.00 -1.17 0.10 0.00 0.00 0.00 0.00 60.65 59.58 1um2 s ILE 622 Cb -0.00 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 1um2 s ILE 622 CO -0.00 -0.29 -0.01 -0.54 0.00 0.00 0.00 174.94 174.09 1um2 s LYS 623 N -1.62 2.16 -0.29 2.79 -0.14 -1.20 -1.60 119.74 119.85 1um2 s LYS 623 Ca -0.06 -1.56 -0.25 0.00 -1.36 0.00 0.00 55.97 52.74 1um2 s LYS 623 Cb -0.10 -2.05 0.15 0.00 -1.68 0.00 0.00 37.83 34.15 1um2 s LYS 623 CO 0.01 0.28 1.18 -0.08 -0.76 0.00 0.00 175.35 175.98 1um2 s THR 624 N -2.41 0.00 -2.24 2.17 -1.32 -1.03 -4.98 115.64 105.83 1um2 s THR 624 Ca 0.33 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.03 1um2 s THR 624 Cb -0.04 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.98 1um2 s THR 624 CO 0.19 0.00 1.12 2.30 -2.21 0.00 0.00 174.62 176.02 1um2 n ILE 625 N 1.94 0.00 -3.22 5.08 -5.35 -1.26 -0.40 119.36 116.15 1um2 n ILE 625 Ca -0.11 -0.31 -0.30 0.00 -0.27 0.00 0.00 62.75 61.75 1um2 n ILE 625 Cb 0.56 1.31 -0.04 0.00 -1.74 0.00 0.00 39.64 39.73 1um2 n ILE 625 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1um2 s HIS 626 N -2.36 3.45 -0.19 4.28 3.76 -1.26 -4.74 115.29 118.22 1um2 s HIS 626 Ca 0.20 0.85 0.07 0.00 -0.15 0.00 0.00 55.06 56.03 1um2 s HIS 626 Cb 0.18 -2.26 -0.22 0.00 1.11 0.00 0.00 32.58 31.39 1um2 s HIS 626 CO 0.51 0.12 0.06 -2.37 -0.85 0.00 0.00 174.74 172.22 1um2 n THR 627 N -0.77 1.52 0.19 1.30 5.66 -1.26 -3.47 114.28 117.45 1um2 n THR 627 Ca 0.00 -0.70 0.03 0.00 -3.05 0.00 0.00 64.05 60.33 1um2 n THR 627 Cb 0.53 -1.14 0.36 0.00 -1.55 0.00 0.00 70.33 68.54 1um2 n THR 627 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1um2 h SER 628 N 0.01 0.00 0.13 1.09 4.64 -1.95 -2.93 113.55 114.54 1um2 h SER 628 Ca -0.51 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.60 1um2 h SER 628 Cb 2.04 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 64.15 1um2 h SER 628 CO -0.00 0.38 -0.88 0.58 -0.87 0.00 0.00 176.83 176.03 1um2 h VAL 629 N 0.00 1.45 0.00 0.95 2.07 -1.74 -3.25 116.25 115.73 1um2 h VAL 629 Ca -0.00 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1um2 h VAL 629 Cb 0.70 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1um2 h VAL 629 CO 0.05 0.71 0.00 -1.14 0.02 0.00 0.00 177.57 177.21 1um2 n ARG 630 N -4.07 0.00 -0.31 1.57 0.63 -1.14 -1.06 116.66 112.28 1um2 n ARG 630 Ca -0.14 0.21 0.01 0.00 -0.92 0.00 0.00 57.85 57.01 1um2 n ARG 630 Cb 0.84 -0.98 0.06 0.00 0.45 0.00 0.00 32.46 32.83 1um2 n ARG 630 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1um2 n ASP 631 N -0.69 -0.44 0.25 6.15 8.00 -1.12 1.00 116.55 129.70 1um2 n ASP 631 Ca 0.00 1.42 0.09 0.00 0.71 0.00 0.00 54.79 57.01 1um2 n ASP 631 Cb 0.00 -0.36 0.63 0.00 -0.02 0.00 0.00 41.12 41.37 1um2 n ASP 631 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1um2 h GLY 632 N 0.00 0.00 0.78 0.44 0.00 -1.57 -2.72 103.07 100.00 1um2 h GLY 632 Ca 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.53 1um2 h GLY 632 CO -0.82 0.00 -0.44 -2.00 0.00 0.00 0.00 176.54 173.28 1um2 h LEU 633 N 0.00 0.51 -1.88 3.11 5.85 0.23 -2.11 115.31 121.02 1um2 h LEU 633 Ca -0.00 -0.66 0.08 0.00 0.84 0.00 0.00 57.88 58.14 1um2 h LEU 633 Cb 0.22 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1um2 h LEU 633 CO 0.01 1.10 0.27 0.58 -0.34 0.00 0.00 178.44 180.06 1um2 h VAL 634 N -0.04 0.88 0.10 1.05 2.07 -1.05 0.17 116.25 119.44 1um2 h VAL 634 Ca -0.03 -0.05 -0.16 0.00 0.82 0.00 0.00 66.70 67.28 1um2 h VAL 634 Cb 1.10 0.72 0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1um2 h VAL 634 CO 0.09 0.03 -0.74 -1.28 0.02 0.00 0.00 177.57 175.69 1um2 h SER 635 N 0.14 0.34 -0.36 0.57 0.87 -1.45 -2.36 113.55 111.30 1um2 h SER 635 Ca 0.18 -0.93 0.04 0.00 -1.23 0.00 0.00 61.79 59.85 1um2 h SER 635 Cb 0.52 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 1um2 h SER 635 CO -0.02 1.34 0.12 0.25 -0.53 0.00 0.00 176.83 177.99 1um2 h LEU 636 N -0.53 0.13 0.66 2.23 5.85 -0.79 0.50 115.31 123.36 1um2 h LEU 636 Ca -0.14 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1um2 h LEU 636 Cb 1.51 0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.57 1um2 h LEU 636 CO 0.09 0.11 -0.32 0.00 -0.34 0.00 0.00 178.44 177.99 1um2 h ALA 637 N 1.23 -1.21 -0.93 1.25 0.00 -0.79 -2.60 119.26 116.21 1um2 h ALA 637 Ca 0.16 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.13 1um2 h ALA 637 Cb 0.14 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1um2 h ALA 637 CO -0.17 -1.15 0.65 -0.09 0.00 0.00 0.00 179.25 178.49 1um2 h ARG 638 N -0.90 0.13 -0.04 0.00 2.43 -1.27 0.15 114.38 114.88 1um2 h ARG 638 Ca -0.09 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1um2 h ARG 638 Cb 0.68 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1um2 h ARG 638 CO 0.15 0.09 -0.21 0.66 -1.51 0.00 0.00 179.97 179.14 1um2 h SER 639 N 0.14 0.07 1.62 -3.80 4.64 0.38 -2.21 113.55 114.39 1um2 h SER 639 Ca 0.46 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.76 1um2 h SER 639 Cb 1.59 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1um2 h SER 639 CO -0.08 0.29 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.05 1um2 h LEU 640 N 0.07 0.00 0.00 5.97 3.38 -0.48 0.14 115.31 124.39 1um2 h LEU 640 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1um2 h LEU 640 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1um2 h LEU 640 CO 0.03 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1um2 n GLY 641 N 0.75 1.61 3.95 0.83 0.00 -0.83 -4.81 105.19 106.68 1um2 n GLY 641 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1um2 n GLY 641 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um2 s LEU 642 N 0.00 3.49 -0.29 0.99 1.43 -1.24 -4.85 118.68 118.22 1um2 s LEU 642 Ca 0.00 0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.26 1um2 s LEU 642 Cb 0.00 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 1um2 s LEU 642 CO 0.00 -0.87 0.17 -0.69 0.23 0.00 0.00 176.35 175.19 1um2 s VAL 643 N -2.67 5.00 0.17 -1.59 1.01 -0.87 -4.51 120.40 116.94 1um2 s VAL 643 Ca 0.51 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.55 1um2 s VAL 643 Cb -0.10 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1um2 s VAL 643 CO 0.39 0.21 -0.21 -0.69 0.00 0.00 0.00 175.10 174.79 1um2 s VAL 644 N 1.70 2.04 0.01 2.92 1.01 -1.26 -2.04 120.40 124.77 1um2 s VAL 644 Ca 0.06 -1.92 -0.24 0.00 0.00 0.00 0.00 61.98 59.88 1um2 s VAL 644 Cb -0.16 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.34 1um2 s VAL 644 CO 0.09 -0.20 0.55 -0.94 0.00 0.00 0.00 175.10 174.60 1um2 s SER 645 N -2.57 -0.49 -0.03 3.32 1.04 -1.10 -4.99 113.70 108.88 1um2 s SER 645 Ca 0.17 0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.99 1um2 s SER 645 Cb -0.07 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 1um2 s SER 645 CO 0.08 -0.65 -0.13 -0.69 0.98 0.00 0.00 173.24 172.83 1um2 s VAL 646 N -1.87 1.08 0.01 5.02 1.01 -1.26 -1.03 120.40 123.37 1um2 s VAL 646 Ca -0.08 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1um2 s VAL 646 Cb -0.01 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1um2 s VAL 646 CO 0.03 0.32 -0.13 0.20 0.00 0.00 0.00 175.10 175.52 1um2 s ASN 647 N 0.04 4.12 -0.21 3.32 0.01 -0.29 -4.96 114.94 116.98 1um2 s ASN 647 Ca -0.02 -0.29 -0.12 0.00 -0.71 0.00 0.00 52.86 51.72 1um2 s ASN 647 Cb -0.09 -0.81 -0.05 0.00 0.41 0.00 0.00 41.25 40.71 1um2 s ASN 647 CO 0.01 0.28 0.23 0.00 -1.51 0.00 0.00 177.10 176.11 1um2 s ALA 648 N -0.92 3.61 -0.19 0.60 0.00 -1.26 -0.90 121.76 122.70 1um2 s ALA 648 Ca 0.15 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1um2 s ALA 648 Cb -0.11 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.67 1um2 s ALA 648 CO 0.05 -0.07 -0.17 -1.21 0.00 0.00 0.00 175.76 174.37 1um2 s GLU 649 N 0.81 2.97 -0.48 0.00 2.02 -0.35 -4.99 118.70 118.69 1um2 s GLU 649 Ca 0.12 -0.85 -0.10 0.00 0.02 0.00 0.00 54.97 54.16 1um2 s GLU 649 Cb -0.13 -2.66 -0.09 0.00 0.10 0.00 0.00 34.13 31.34 1um2 s GLU 649 CO 0.03 -0.24 1.65 -2.30 0.02 0.00 0.00 175.26 174.42 1um2 n PRO 650 N 4.63 1.04 0.00 0.39 -0.02 -1.26 -2.39 135.00 137.39 1um2 n PRO 650 Ca -0.20 -1.15 0.00 0.00 -2.02 0.00 0.00 63.50 60.13 1um2 n PRO 650 Cb 0.49 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1um2 n PRO 650 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1um2 n HIS 660 N 5.62 0.00 -0.78 6.00 -0.00 -1.26 -4.96 115.22 119.84 1um2 n HIS 660 Ca 0.31 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.73 1um2 n HIS 660 Cb 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.18 1um2 n HIS 660 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1um2 n LYS 661 N 0.00 0.00 -1.57 1.57 2.85 -1.26 -4.69 118.16 115.06 1um2 n LYS 661 Ca 0.00 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.79 1um2 n LYS 661 Cb 0.00 -0.78 -0.05 0.00 -0.65 0.00 0.00 35.03 33.55 1um2 n LYS 661 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1um2 n ILE 662 N -2.66 0.37 -4.38 0.58 0.13 -1.26 -4.96 119.36 107.19 1um2 n ILE 662 Ca -0.02 -0.31 -0.19 0.00 -1.10 0.00 0.00 62.75 61.14 1um2 n ILE 662 Cb 0.58 -2.12 -0.10 0.00 -0.84 0.00 0.00 39.64 37.16 1um2 n ILE 662 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1um2 s SER 663 N 6.90 1.78 0.14 9.51 1.04 -1.00 -4.80 113.70 127.27 1um2 s SER 663 Ca 1.01 -1.36 0.11 0.00 0.48 0.00 0.00 55.95 56.19 1um2 s SER 663 Cb -0.58 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.54 1um2 s SER 663 CO 0.43 -0.65 -0.25 -0.31 0.98 0.00 0.00 173.24 173.44 1um2 s TYR 664 N -3.52 2.33 -0.10 5.02 2.02 0.47 -1.20 117.35 122.37 1um2 s TYR 664 Ca 0.36 -0.36 0.04 0.00 -0.37 0.00 0.00 57.07 56.74 1um2 s TYR 664 Cb 0.08 -1.24 0.00 0.00 -0.40 0.00 0.00 41.96 40.40 1um2 s TYR 664 CO 0.14 0.38 -0.24 0.00 -1.57 0.00 0.00 175.55 174.26 1um2 s ALA 665 N -1.19 2.14 -0.12 3.71 0.00 -0.08 -2.46 121.76 123.76 1um2 s ALA 665 Ca 0.16 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1um2 s ALA 665 Cb -0.10 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1um2 s ALA 665 CO 0.07 0.28 -0.17 0.42 0.00 0.00 0.00 175.76 176.36 1um2 s ILE 666 N 0.36 2.73 -0.25 0.00 1.09 -0.63 -1.13 121.20 123.38 1um2 s ILE 666 Ca -0.19 -0.78 0.01 0.00 -1.10 0.00 0.00 60.65 58.60 1um2 s ILE 666 Cb -0.18 -2.12 0.04 0.00 -1.06 0.00 0.00 42.46 39.15 1um2 s ILE 666 CO 0.09 0.54 -0.10 -0.31 -0.10 0.00 0.00 174.94 175.05 1um2 s TYR 667 N 0.32 3.13 0.14 3.97 1.51 -0.20 -1.31 117.35 124.92 1um2 s TYR 667 Ca -0.13 -1.97 0.05 0.00 -1.01 0.00 0.00 57.07 54.01 1um2 s TYR 667 Cb -0.16 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 1um2 s TYR 667 CO 0.07 -0.82 0.05 -1.64 -1.11 0.00 0.00 175.55 172.09 1um2 s MET 668 N 1.21 2.65 0.37 -0.62 -1.94 0.41 -2.71 119.30 118.68 1um2 s MET 668 Ca -0.04 -0.91 -0.12 0.00 -1.71 0.00 0.00 55.69 52.91 1um2 s MET 668 Cb -0.18 -2.54 0.04 0.00 2.01 0.00 0.00 34.83 34.16 1um2 s MET 668 CO -0.06 0.50 0.71 -1.54 -0.01 0.00 0.00 175.02 174.62 1um2 s SER 669 N -2.76 0.25 0.00 3.03 1.04 -0.87 -1.15 113.70 113.25 1um2 s SER 669 Ca 0.28 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1um2 s SER 669 Cb -0.11 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1um2 s SER 669 CO 0.20 -1.59 0.00 0.61 0.98 0.00 0.00 173.24 173.45 1um2 n GLY 670 N -0.54 0.20 7.00 7.32 0.00 -1.26 -2.04 105.19 115.87 1um2 n GLY 670 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1um2 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um2 n GLY 671 N 0.00 1.95 0.32 -0.02 0.00 -1.26 -1.33 105.19 104.84 1um2 n GLY 671 Ca 0.00 0.51 0.17 0.00 0.00 0.00 0.00 46.02 46.71 1um2 n GLY 671 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1um2 h ASP 672 N 0.00 0.00 -0.01 1.61 5.19 -1.98 -0.30 116.42 120.93 1um2 h ASP 672 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1um2 h ASP 672 Cb 0.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 1um2 h ASP 672 CO 0.00 0.00 -0.34 0.58 -3.12 0.00 0.00 179.24 176.36 1um2 h VAL 673 N 0.00 1.50 0.00 -1.35 2.07 -1.57 -3.11 116.25 113.79 1um2 h VAL 673 Ca 0.01 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.58 1um2 h VAL 673 Cb 0.10 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1um2 h VAL 673 CO -0.00 0.54 -0.02 0.25 0.02 0.00 0.00 177.57 178.36 1um2 h LEU 674 N -0.36 0.00 -0.33 2.57 5.85 -1.28 -2.68 115.31 119.08 1um2 h LEU 674 Ca -0.04 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.49 1um2 h LEU 674 Cb 1.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1um2 h LEU 674 CO 0.07 0.02 -0.84 -0.07 -0.34 0.00 0.00 178.44 177.28 1um2 h LEU 675 N 0.00 0.31 -1.39 2.25 3.38 -1.11 -1.12 115.31 117.63 1um2 h LEU 675 Ca -0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1um2 h LEU 675 Cb 0.51 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1um2 h LEU 675 CO 0.00 1.01 -0.09 -1.13 0.09 0.00 0.00 178.44 178.32 1um2 h ASN 676 N 0.15 0.27 0.00 -0.43 -1.24 -1.41 -0.27 115.58 112.65 1um2 h ASN 676 Ca -0.04 -0.05 -0.11 0.00 0.71 0.00 0.00 56.30 56.81 1um2 h ASN 676 Cb 1.44 -0.07 0.01 0.00 0.73 0.00 0.00 38.32 40.43 1um2 h ASN 676 CO 0.13 0.40 -0.42 0.58 -1.29 0.00 0.00 177.43 176.83 1um2 h VAL 677 N 0.28 1.50 0.00 2.57 2.07 -1.47 -3.32 116.25 117.87 1um2 h VAL 677 Ca 0.06 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.55 1um2 h VAL 677 Cb 0.34 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1um2 h VAL 677 CO 0.02 0.57 0.00 0.18 0.02 0.00 0.00 177.57 178.36 1um2 n LEU 678 N -4.37 0.05 -0.39 2.57 4.77 -0.45 -2.84 117.00 116.33 1um2 n LEU 678 Ca -0.10 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.52 1um2 n LEU 678 Cb 0.59 -0.50 0.57 0.00 -2.33 0.00 0.00 43.42 41.76 1um2 n LEU 678 CO 0.43 -0.11 0.90 -1.54 -1.33 0.00 0.00 177.39 175.73 1um2 n SER 679 N -1.54 1.21 -0.72 -1.43 3.41 -0.13 -2.09 113.62 112.33 1um2 n SER 679 Ca 0.06 -1.44 0.10 0.00 -0.26 0.00 0.00 58.87 57.32 1um2 n SER 679 Cb 0.28 -0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.28 1um2 n SER 679 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1um2 n LYS 680 N -0.04 1.71 -2.13 4.33 5.02 -1.13 -4.90 118.16 121.02 1um2 n LYS 680 Ca 0.19 -1.53 -0.27 0.00 -2.02 0.00 0.00 58.31 54.68 1um2 n LYS 680 Cb 0.30 -1.38 0.11 0.00 -0.02 0.00 0.00 35.03 34.04 1um2 n LYS 680 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1um2 n ALA 682 N -3.22 1.49 -1.53 0.00 0.00 -1.26 -4.71 120.51 111.28 1um2 n ALA 682 Ca 0.11 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 53.05 1um2 n ALA 682 Cb 0.60 0.12 -0.04 0.00 0.00 0.00 0.00 19.45 20.13 1um2 n ALA 682 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1um2 n GLY 683 N 1.82 -0.40 0.40 0.00 0.00 -1.26 -3.81 105.19 101.94 1um2 n GLY 683 Ca 0.00 0.51 0.19 0.00 0.00 0.00 0.00 46.02 46.72 1um2 n GLY 683 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1um2 h SER 684 N 2.67 0.29 -0.43 1.61 4.64 -1.95 -2.08 113.55 118.30 1um2 h SER 684 Ca -0.41 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1um2 h SER 684 Cb 1.38 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1um2 h SER 684 CO 0.66 0.13 0.00 0.29 -0.87 0.00 0.00 176.83 177.04 1um2 n LYS 685 N -4.45 3.16 0.00 4.77 4.76 -1.26 -4.51 118.16 120.63 1um2 n LYS 685 Ca 0.16 -2.56 0.00 0.00 -2.87 0.00 0.00 58.31 53.04 1um2 n LYS 685 Cb 0.66 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 1um2 n LYS 685 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1um2 n LYS 686 N 0.46 3.51 -1.98 1.97 4.76 -0.82 -4.45 118.16 121.62 1um2 n LYS 686 Ca 0.19 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.25 1um2 n LYS 686 Cb 0.71 -0.98 0.02 0.00 -1.84 0.00 0.00 35.03 32.93 1um2 n LYS 686 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1um2 s PHE 687 N -1.97 2.55 -0.03 2.13 2.19 -1.01 -4.85 117.98 116.99 1um2 s PHE 687 Ca 0.00 1.43 -0.05 0.00 0.33 0.00 0.00 56.93 58.64 1um2 s PHE 687 Cb 0.00 -3.64 0.01 0.00 -1.31 0.00 0.00 43.02 38.08 1um2 s PHE 687 CO 0.00 -2.33 0.12 1.03 1.83 0.00 0.00 175.22 175.88 1um2 s ARG 688 N -2.77 0.26 0.79 10.12 1.81 -0.89 -4.99 118.95 123.28 1um2 s ARG 688 Ca 0.67 -0.04 -0.14 0.00 -1.72 0.00 0.00 55.73 54.51 1um2 s ARG 688 Cb -0.36 0.11 0.07 0.00 -0.45 0.00 0.00 34.95 34.32 1um2 s ARG 688 CO 0.43 -0.05 1.21 -2.14 -0.68 0.00 0.00 175.30 174.08 1um2 s PRO 689 N -0.45 1.75 0.76 3.54 0.02 -1.26 -2.91 135.00 136.46 1um2 s PRO 689 Ca -0.05 1.78 -0.11 0.00 0.02 0.00 0.00 61.00 62.64 1um2 s PRO 689 Cb -0.03 -1.79 0.05 0.00 0.02 0.00 0.00 34.50 32.75 1um2 s PRO 689 CO 0.00 -2.13 1.08 0.00 -0.33 0.00 0.00 177.00 175.63 1um2 s ALA 690 N -2.07 2.30 0.33 -1.55 0.00 -1.26 -4.75 121.76 114.76 1um2 s ALA 690 Ca 0.74 0.17 -0.26 0.00 0.00 0.00 0.00 51.96 52.61 1um2 s ALA 690 Cb -0.29 -3.23 -0.13 0.00 0.00 0.00 0.00 23.12 19.46 1um2 s ALA 690 CO 0.49 -1.68 0.85 -2.30 0.00 0.00 0.00 175.76 173.12 1um2 n PRO 691 N -3.45 1.03 -0.02 0.00 -0.02 -1.26 -4.81 135.00 126.47 1um2 n PRO 691 Ca 0.08 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1um2 n PRO 691 Cb 0.53 -1.71 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 1um2 n PRO 691 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1um2 n ALA 692 N -0.18 2.52 0.00 3.55 0.00 -1.26 -4.88 120.51 120.27 1um2 n ALA 692 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1um2 n ALA 692 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1um2 n ALA 692 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1um2 n ALA 693 N -0.08 0.00 -1.01 0.00 0.00 -1.26 -5.16 120.51 113.00 1um2 n ALA 693 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1um2 n ALA 693 Cb 0.22 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.89 1um2 n ALA 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1um2 s ALA 694 N -1.91 0.49 0.28 0.00 0.00 -1.26 -5.06 121.76 114.28 1um2 s ALA 694 Ca 0.00 -0.66 -0.20 0.00 0.00 0.00 0.00 51.96 51.10 1um2 s ALA 694 Cb 0.00 -3.00 0.06 0.00 0.00 0.00 0.00 23.12 20.17 1um2 s ALA 694 CO 0.00 -3.45 0.88 -0.59 0.00 0.00 0.00 175.76 172.60 1um2 s PHE 695 N -2.88 0.02 0.03 0.00 -0.71 -1.26 -5.11 117.98 108.07 1um2 s PHE 695 Ca 0.68 -0.53 0.05 0.00 -1.04 0.00 0.00 56.93 56.10 1um2 s PHE 695 Cb -0.15 0.75 -0.02 0.00 -1.21 0.00 0.00 43.02 42.39 1um2 s PHE 695 CO 0.58 -1.22 -0.15 0.00 -1.34 0.00 0.00 175.22 173.09 1um2 s ALA 696 N -2.65 1.23 -0.79 1.99 0.00 -1.26 -5.07 121.76 115.21 1um2 s ALA 696 Ca 0.16 -0.83 -0.18 0.00 0.00 0.00 0.00 51.96 51.11 1um2 s ALA 696 Cb -0.04 -0.21 0.14 0.00 0.00 0.00 0.00 23.12 23.01 1um2 s ALA 696 CO 0.08 0.25 0.91 1.03 0.00 0.00 0.00 175.76 178.02 1um2 s ARG 697 N -1.06 3.41 0.88 0.00 0.52 -1.26 -4.94 118.95 116.49 1um2 s ARG 697 Ca 0.03 -1.73 -0.12 0.00 -0.52 0.00 0.00 55.73 53.39 1um2 s ARG 697 Cb -0.08 -4.57 0.12 0.00 0.52 0.00 0.00 34.95 30.94 1um2 s ARG 697 CO 0.01 -1.60 1.11 -1.21 0.02 0.00 0.00 175.30 173.63 1um2 s GLU 698 N 2.21 1.41 0.31 3.54 2.02 -1.26 -4.74 118.70 122.18 1um2 s GLU 698 Ca 0.22 0.50 -0.27 0.00 0.02 0.00 0.00 54.97 55.44 1um2 s GLU 698 Cb -0.12 -1.85 -0.09 0.00 0.10 0.00 0.00 34.13 32.16 1um2 s GLU 698 CO -0.03 -2.06 0.99 0.00 0.02 0.00 0.00 175.26 174.18 1um2 s ARG 700 N -1.79 3.52 0.35 0.00 1.81 -0.85 -4.93 118.95 117.06 1um2 s ARG 700 Ca 0.48 -0.27 0.08 0.00 -1.72 0.00 0.00 55.73 54.31 1um2 s ARG 700 Cb -0.24 -2.70 -0.05 0.00 -0.45 0.00 0.00 34.95 31.52 1um2 s ARG 700 CO 0.30 0.22 0.10 0.20 -0.68 0.00 0.00 175.30 175.43 1um2 s GLY 701 N -3.67 2.03 -0.14 -3.53 0.00 -1.26 -1.99 107.32 98.76 1um2 s GLY 701 Ca 0.40 -1.91 -0.11 0.00 0.00 0.00 0.00 44.72 43.10 1um2 s GLY 701 CO 0.33 -1.83 0.37 -0.11 0.00 0.00 0.00 173.10 171.86 1um2 s PHE 702 N -2.48 -0.45 -0.03 1.90 -0.71 0.28 -4.93 117.98 111.57 1um2 s PHE 702 Ca 0.37 1.05 -0.24 0.00 -1.04 0.00 0.00 56.93 57.06 1um2 s PHE 702 Cb -0.01 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 1um2 s PHE 702 CO 0.21 -0.23 0.75 0.71 -1.34 0.00 0.00 175.22 175.32 1um2 s TYR 703 N 0.55 3.63 0.42 3.49 2.02 -1.26 -1.46 117.35 124.74 1um2 s TYR 703 Ca -0.03 1.36 0.07 0.00 -0.37 0.00 0.00 57.07 58.10 1um2 s TYR 703 Cb -0.05 -2.84 -0.06 0.00 -0.40 0.00 0.00 41.96 38.62 1um2 s TYR 703 CO -0.03 0.14 0.14 -0.59 -1.57 0.00 0.00 175.55 173.63 1um2 s PHE 704 N 0.56 2.56 -0.10 2.71 -0.71 -1.26 0.76 117.98 122.49 1um2 s PHE 704 Ca 0.39 -0.62 -0.00 0.00 -1.04 0.00 0.00 56.93 55.66 1um2 s PHE 704 Cb -0.19 -1.91 0.02 0.00 -1.21 0.00 0.00 43.02 39.74 1um2 s PHE 704 CO 0.21 0.24 -0.07 -1.21 -1.34 0.00 0.00 175.22 173.05 1um2 s GLU 705 N -3.86 1.37 -0.38 1.99 2.02 0.95 -4.66 118.70 116.13 1um2 s GLU 705 Ca 0.39 -0.21 -0.19 0.00 0.02 0.00 0.00 54.97 54.98 1um2 s GLU 705 Cb 0.05 -1.43 0.01 0.00 0.10 0.00 0.00 34.13 32.86 1um2 s GLU 705 CO 0.21 -0.23 0.53 -1.17 0.02 0.00 0.00 175.26 174.63 1um2 s LEU 706 N 1.57 4.47 -0.19 1.80 2.96 -1.26 -2.29 118.68 125.73 1um2 s LEU 706 Ca 0.02 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.66 1um2 s LEU 706 Cb -0.13 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 1um2 s LEU 706 CO -0.06 -0.57 0.03 -1.58 -1.32 0.00 0.00 176.35 172.85 1um2 s GLN 707 N 2.45 3.78 0.22 1.98 2.00 -1.02 -4.96 119.66 124.10 1um2 s GLN 707 Ca 0.18 -0.44 -0.30 0.00 -2.00 0.00 0.00 55.36 52.80 1um2 s GLN 707 Cb -0.15 -3.14 -0.08 0.00 0.80 0.00 0.00 33.01 30.43 1um2 s GLN 707 CO 0.15 0.13 1.04 -2.00 -0.50 0.00 0.00 175.29 174.10 1um2 s GLU 708 N 0.72 4.70 0.00 1.67 2.12 -1.26 -0.70 118.70 125.95 1um2 s GLU 708 Ca 0.01 1.64 0.00 0.00 0.36 0.00 0.00 54.97 56.99 1um2 s GLU 708 Cb -0.14 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 30.99 1um2 s GLU 708 CO 0.02 0.26 0.00 1.28 -0.54 0.00 0.00 175.26 176.28 1um2 n LEU 709 N 1.84 0.00 -4.75 2.70 4.77 -0.54 -4.91 117.00 116.11 1um2 n LEU 709 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1um2 n LEU 709 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 1um2 n LEU 709 CO 0.52 0.00 0.10 -1.59 -1.33 0.00 0.00 177.39 175.09 1um2 s LYS 710 N -0.23 4.23 0.23 3.23 -2.85 -1.26 -4.30 119.74 118.78 1um2 s LYS 710 Ca 0.00 0.33 -0.29 0.00 -1.00 0.00 0.00 55.97 55.01 1um2 s LYS 710 Cb 0.00 -3.39 -0.16 0.00 -2.06 0.00 0.00 37.83 32.22 1um2 s LYS 710 CO 0.00 0.29 0.76 -1.91 0.10 0.00 0.00 175.35 174.59 1um2 n GLU 711 N 3.28 0.60 0.00 1.78 2.13 -1.26 -4.05 120.64 123.13 1um2 n GLU 711 Ca -0.10 0.21 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1um2 n GLU 711 Cb 0.52 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.83 1um2 n GLU 711 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1um2 n ASP 712 N 1.67 0.00 -4.75 4.31 9.92 -0.85 -4.90 116.55 121.95 1um2 n ASP 712 Ca 0.14 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 54.01 1um2 n ASP 712 Cb 0.27 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.70 1um2 n ASP 712 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1um2 s ASP 713 N 1.47 7.05 0.06 -2.24 1.01 -1.26 -3.26 116.67 119.50 1um2 s ASP 713 Ca 0.00 1.26 0.09 0.00 0.71 0.00 0.00 52.55 54.61 1um2 s ASP 713 Cb 0.00 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 1um2 s ASP 713 CO 0.00 0.02 -0.24 -0.72 0.21 0.00 0.00 175.17 174.44 1um2 s TYR 714 N 0.08 2.39 -0.03 4.23 -0.85 -1.11 -4.29 117.35 117.77 1um2 s TYR 714 Ca 0.35 -0.37 0.03 0.00 -0.52 0.00 0.00 57.07 56.56 1um2 s TYR 714 Cb -0.19 -1.39 0.00 0.00 0.38 0.00 0.00 41.96 40.76 1um2 s TYR 714 CO 0.19 0.19 -0.11 0.71 -1.52 0.00 0.00 175.55 175.02 1um2 s TYR 715 N -0.88 1.08 0.31 -3.49 1.51 0.13 -3.58 117.35 112.43 1um2 s TYR 715 Ca 0.13 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 55.97 1um2 s TYR 715 Cb -0.10 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1um2 s TYR 715 CO 0.04 -0.10 0.19 0.41 -1.11 0.00 0.00 175.55 174.98 1um2 n GLY 716 N 3.19 3.21 3.22 0.71 0.00 -1.00 -0.11 105.19 114.41 1um2 n GLY 716 Ca -0.17 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 1um2 n GLY 716 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1um2 s ILE 717 N -3.01 0.07 -0.10 -0.61 -4.36 -1.26 -4.02 121.20 107.92 1um2 s ILE 717 Ca 0.26 -0.60 0.01 0.00 -0.26 0.00 0.00 60.65 60.07 1um2 s ILE 717 Cb 0.01 -0.69 0.02 0.00 1.25 0.00 0.00 42.46 43.04 1um2 s ILE 717 CO 0.19 -0.33 -0.13 -0.89 0.24 0.00 0.00 174.94 174.02 1um2 s THR 718 N -1.74 1.29 0.61 8.37 2.01 -0.44 -4.77 115.64 120.96 1um2 s THR 718 Ca -0.11 -0.52 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 1um2 s THR 718 Cb -0.04 -1.20 0.04 0.00 0.01 0.00 0.00 72.50 71.31 1um2 s THR 718 CO 0.01 0.40 0.88 -0.76 -0.69 0.00 0.00 174.62 174.46 1um2 s LEU 719 N 1.04 3.10 0.63 4.42 1.43 -1.26 0.13 118.68 128.16 1um2 s LEU 719 Ca -0.07 0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 53.13 1um2 s LEU 719 Cb -0.15 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 1um2 s LEU 719 CO -0.01 -1.29 1.26 -0.24 0.23 0.00 0.00 176.35 176.29 1um2 n SER 720 N -2.59 1.99 -0.33 2.29 2.88 -1.15 -4.83 113.62 111.88 1um2 n SER 720 Ca 0.07 0.85 0.02 0.00 -1.33 0.00 0.00 58.87 58.48 1um2 n SER 720 Cb 0.60 -1.54 0.06 0.00 -0.75 0.00 0.00 64.21 62.58 1um2 n SER 720 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1um2 n ASP 721 N -1.62 0.88 0.00 -3.46 8.00 -1.26 -2.90 116.55 116.19 1um2 n ASP 721 Ca 0.15 -2.03 0.02 0.00 0.71 0.00 0.00 54.79 53.64 1um2 n ASP 721 Cb 0.47 -0.17 -0.11 0.00 -0.02 0.00 0.00 41.12 41.29 1um2 n ASP 721 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1um2 n ASP 722 N -0.09 0.48 -4.17 -2.24 5.75 -1.26 -4.98 116.55 110.04 1um2 n ASP 722 Ca 0.04 0.21 -0.25 0.00 -0.01 0.00 0.00 54.79 54.78 1um2 n ASP 722 Cb 0.16 0.80 0.16 0.00 -1.03 0.00 0.00 41.12 41.21 1um2 n ASP 722 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1um2 n SER 723 N -2.69 0.73 -0.13 -1.12 3.41 -1.14 -5.00 113.62 107.68 1um2 n SER 723 Ca -0.12 -1.80 0.13 0.00 -0.26 0.00 0.00 58.87 56.82 1um2 n SER 723 Cb 0.81 -0.80 0.69 0.00 -0.26 0.00 0.00 64.21 64.66 1um2 n SER 723 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1um2 n ASP 724 N -3.35 0.39 0.00 4.04 5.75 -1.26 -4.91 116.55 117.21 1um2 n ASP 724 Ca 0.16 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.65 1um2 n ASP 724 Cb 0.57 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1um2 n ASP 724 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1um2 n HIS 725 N -0.62 0.00 -4.24 2.11 8.25 -1.26 -4.93 115.22 114.52 1um2 n HIS 725 Ca 0.19 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.39 1um2 n HIS 725 Cb 0.15 -1.80 -0.08 0.00 1.12 0.00 0.00 29.99 29.38 1um2 n HIS 725 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1um2 s GLN 726 N -1.59 2.28 0.14 -0.41 -0.21 -1.26 -0.91 119.66 117.70 1um2 s GLN 726 Ca 0.00 -1.19 -0.17 0.00 0.02 0.00 0.00 55.36 54.02 1um2 s GLN 726 Cb 0.00 -2.27 0.04 0.00 1.00 0.00 0.00 33.01 31.77 1um2 s GLN 726 CO 0.00 0.44 0.43 -0.59 -2.12 0.00 0.00 175.29 173.45 1um2 s PHE 727 N -1.78 -0.21 -0.19 0.91 -0.71 -0.55 -4.62 117.98 110.83 1um2 s PHE 727 Ca 0.27 -0.10 -0.16 0.00 -1.04 0.00 0.00 56.93 55.90 1um2 s PHE 727 Cb -0.09 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.98 1um2 s PHE 727 CO 0.18 -0.74 0.42 -0.51 -1.34 0.00 0.00 175.22 173.23 1um2 s LEU 728 N -2.81 4.16 0.00 -1.99 1.43 0.45 -2.57 118.68 117.36 1um2 s LEU 728 Ca 0.04 0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 53.61 1um2 s LEU 728 Cb 0.01 -2.56 0.13 0.00 0.03 0.00 0.00 46.19 43.81 1um2 s LEU 728 CO -0.11 -0.09 0.61 0.18 0.23 0.00 0.00 176.35 177.17 1um2 n LEU 729 N 4.46 0.00 0.12 1.79 4.77 -0.80 -2.21 117.00 125.13 1um2 n LEU 729 Ca -0.08 -0.65 0.02 0.00 -0.03 0.00 0.00 56.01 55.27 1um2 n LEU 729 Cb 0.51 -0.51 0.37 0.00 -2.33 0.00 0.00 43.42 41.46 1um2 n LEU 729 CO 0.40 -1.30 0.84 0.00 -1.33 0.00 0.00 177.39 176.00 1um2 h ALA 730 N -2.15 1.44 -0.35 -1.18 0.00 -1.68 -1.67 119.26 113.67 1um2 h ALA 730 Ca -0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1um2 h ALA 730 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1um2 h ALA 730 CO 0.14 0.39 0.00 0.27 0.00 0.00 0.00 179.25 180.06 1um2 n ASN 731 N -4.22 2.17 0.00 0.00 0.23 -1.26 -4.88 115.26 107.30 1um2 n ASN 731 Ca -0.01 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.97 1um2 n ASN 731 Cb 0.31 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1um2 n ASN 731 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1um2 n GLN 732 N 0.53 0.00 -1.74 -3.83 6.02 -0.63 -4.91 117.38 112.82 1um2 n GLN 732 Ca 0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.71 1um2 n GLN 732 Cb 0.37 -2.17 0.01 0.00 1.02 0.00 0.00 30.24 29.47 1um2 n GLN 732 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1um2 n VAL 733 N -2.00 2.39 -3.56 5.09 0.31 -1.26 -0.81 118.33 118.49 1um2 n VAL 733 Ca 0.00 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.45 1um2 n VAL 733 Cb 0.00 -1.78 -0.10 0.00 -0.91 0.00 0.00 33.84 31.05 1um2 n VAL 733 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1um2 s VAL 734 N -1.16 5.29 0.24 2.52 1.01 0.39 -1.91 120.40 126.79 1um2 s VAL 734 Ca 0.58 0.29 0.10 0.00 0.00 0.00 0.00 61.98 62.95 1um2 s VAL 734 Cb -0.49 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1um2 s VAL 734 CO 0.60 0.26 -0.18 0.68 0.00 0.00 0.00 175.10 176.45 1um2 s VAL 735 N 1.61 2.18 -0.04 2.92 -7.23 -1.06 -4.47 120.40 114.31 1um2 s VAL 735 Ca 0.09 -2.27 0.03 0.00 -1.81 0.00 0.00 61.98 58.02 1um2 s VAL 735 Cb -0.15 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1um2 s VAL 735 CO 0.09 -0.43 -0.12 -2.28 -0.31 0.00 0.00 175.10 172.04 1um2 s HIS 736 N -2.55 2.76 -2.00 2.82 2.46 -1.26 -1.47 115.29 116.04 1um2 s HIS 736 Ca 0.26 -0.11 0.18 0.00 0.47 0.00 0.00 55.06 55.86 1um2 s HIS 736 Cb -0.04 -1.63 1.10 0.00 -0.13 0.00 0.00 32.58 31.87 1um2 s HIS 736 CO 0.11 0.24 1.50 0.27 -2.47 0.00 0.00 174.74 174.39