#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg1 s HIS 373 N 0.00 2.74 0.17 1.57 0.00 -1.26 -3.38 115.29 115.13 3fg1 s HIS 373 Ca 0.00 0.27 0.09 0.00 -3.00 0.00 0.00 55.06 52.42 3fg1 s HIS 373 Cb 0.00 -3.12 -0.04 0.00 -4.00 0.00 0.00 32.58 25.42 3fg1 s HIS 373 CO 0.00 -1.36 -0.19 0.00 -1.00 0.00 0.00 174.74 172.19 3fg1 s ALA 374 N -3.15 2.08 -0.18 -1.38 0.00 0.50 -4.61 121.76 115.02 3fg1 s ALA 374 Ca 0.61 -1.53 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 3fg1 s ALA 374 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3fg1 s ALA 374 CO 0.43 0.24 0.05 0.42 0.00 0.00 0.00 175.76 176.91 3fg1 s ILE 375 N -2.09 4.72 -0.21 0.00 1.01 -1.26 -1.95 121.20 121.42 3fg1 s ILE 375 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 3fg1 s ILE 375 Cb -0.06 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 3fg1 s ILE 375 CO 0.07 0.47 -0.06 -0.31 0.00 0.00 0.00 174.94 175.11 3fg1 s TYR 376 N 0.35 2.94 -0.20 3.97 1.51 0.91 -0.74 117.35 126.09 3fg1 s TYR 376 Ca 0.02 -0.99 -0.21 0.00 -1.01 0.00 0.00 57.07 54.88 3fg1 s TYR 376 Cb -0.12 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 3fg1 s TYR 376 CO 0.00 -0.56 0.63 -0.80 -1.11 0.00 0.00 175.55 173.71 3fg1 s ASN 377 N 1.44 6.67 -0.15 2.29 0.01 0.09 -1.19 114.94 124.11 3fg1 s ASN 377 Ca 0.05 0.82 0.01 0.00 -0.71 0.00 0.00 52.86 53.04 3fg1 s ASN 377 Cb -0.14 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 39.19 3fg1 s ASN 377 CO -0.04 -0.28 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.39 3fg1 s VAL 378 N 1.97 1.90 -0.10 1.60 1.01 0.43 -1.53 120.40 125.68 3fg1 s VAL 378 Ca 0.28 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3fg1 s VAL 378 Cb -0.16 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 3fg1 s VAL 378 CO 0.10 0.52 -0.22 -0.70 0.00 0.00 0.00 175.10 174.80 3fg1 s GLU 379 N 1.13 3.10 -0.14 2.72 2.12 0.40 -0.57 118.70 127.47 3fg1 s GLU 379 Ca -0.00 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.50 3fg1 s GLU 379 Cb -0.14 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 31.88 3fg1 s GLU 379 CO -0.08 0.20 -0.18 0.08 -0.54 0.00 0.00 175.26 174.74 3fg1 s VAL 380 N 0.32 2.47 -0.38 3.70 1.01 0.08 -0.56 120.40 127.03 3fg1 s VAL 380 Ca -0.17 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 3fg1 s VAL 380 Cb -0.17 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.22 3fg1 s VAL 380 CO 0.08 0.53 0.23 -1.61 0.00 0.00 0.00 175.10 174.33 3fg1 s GLU 381 N 0.71 2.88 0.03 2.72 2.02 0.14 -0.86 118.70 126.33 3fg1 s GLU 381 Ca -0.08 -1.06 -0.19 0.00 0.02 0.00 0.00 54.97 53.66 3fg1 s GLU 381 Cb -0.16 -3.79 -0.06 0.00 0.10 0.00 0.00 34.13 30.22 3fg1 s GLU 381 CO 0.01 -0.71 0.56 0.99 0.02 0.00 0.00 175.26 176.14 3fg1 s THR 382 N 1.59 4.84 0.73 3.63 2.01 -0.44 -0.23 115.64 127.76 3fg1 s THR 382 Ca 0.03 1.19 -0.15 0.00 0.31 0.00 0.00 61.69 63.06 3fg1 s THR 382 Cb -0.19 -3.89 0.04 0.00 0.01 0.00 0.00 72.50 68.46 3fg1 s THR 382 CO 0.08 0.50 1.23 -0.83 -0.69 0.00 0.00 174.62 174.91 3fg1 s GLY 383 N -0.71 2.43 0.00 4.40 0.00 -0.12 -2.00 107.32 111.32 3fg1 s GLY 383 Ca 0.29 0.96 0.28 0.00 0.00 0.00 0.00 44.72 46.25 3fg1 s GLY 383 CO 0.18 1.38 1.90 1.22 0.00 0.00 0.00 173.10 177.78 3fg1 n ASP 384 N -2.67 0.00 -4.77 1.64 8.00 -1.26 -1.18 116.55 116.30 3fg1 n ASP 384 Ca 0.14 0.44 -0.34 0.00 0.71 0.00 0.00 54.79 55.74 3fg1 n ASP 384 Cb 0.50 -0.48 0.03 0.00 -0.02 0.00 0.00 41.12 41.15 3fg1 n ASP 384 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fg1 s ARG 385 N -2.96 3.03 0.19 -1.24 1.70 -1.26 -4.61 118.95 113.80 3fg1 s ARG 385 Ca 0.15 1.46 -0.32 0.00 -0.47 0.00 0.00 55.73 56.55 3fg1 s ARG 385 Cb 0.18 -1.97 -0.15 0.00 -0.57 0.00 0.00 34.95 32.44 3fg1 s ARG 385 CO 0.50 -1.08 1.17 0.39 -1.08 0.00 0.00 175.30 175.20 3fg1 n GLU 386 N -1.99 1.28 -1.00 3.89 1.02 -1.26 -1.08 120.64 121.50 3fg1 n GLU 386 Ca 0.11 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 3fg1 n GLU 386 Cb 0.52 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 3fg1 n GLU 386 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3fg1 n HIS 387 N 1.37 0.00 -0.05 -0.32 8.25 -1.26 -4.68 115.22 118.54 3fg1 n HIS 387 Ca 0.14 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.71 3fg1 n HIS 387 Cb 0.26 -1.27 0.51 0.00 1.12 0.00 0.00 29.99 30.62 3fg1 n HIS 387 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fg1 h ALA 388 N 0.00 2.02 -2.21 -1.41 0.00 -1.38 -3.43 119.26 112.85 3fg1 h ALA 388 Ca 0.00 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.46 3fg1 h ALA 388 Cb 0.63 -0.08 0.16 0.00 0.00 0.00 0.00 17.79 18.50 3fg1 h ALA 388 CO 0.00 -0.13 0.24 0.20 0.00 0.00 0.00 179.25 179.56 3fg1 s GLY 389 N -3.81 1.61 -0.01 0.00 0.00 -1.26 -0.45 107.32 103.40 3fg1 s GLY 389 Ca -0.07 -0.78 -0.20 0.00 0.00 0.00 0.00 44.72 43.67 3fg1 s GLY 389 CO 0.74 -0.05 0.43 -1.08 0.00 0.00 0.00 173.10 173.15 3fg1 s THR 390 N -3.22 0.04 -0.30 0.90 -1.32 -0.44 -4.50 115.64 106.80 3fg1 s THR 390 Ca 0.69 -0.34 0.14 0.00 -1.21 0.00 0.00 61.69 60.96 3fg1 s THR 390 Cb -0.12 -0.79 0.35 0.00 -1.51 0.00 0.00 72.50 70.43 3fg1 s THR 390 CO 0.55 -0.19 1.26 -0.90 -2.21 0.00 0.00 174.62 173.13 3fg1 n ASP 391 N 1.01 3.04 -4.75 8.08 5.68 -1.26 -3.91 116.55 124.44 3fg1 n ASP 391 Ca -0.20 -2.68 -0.32 0.00 -0.50 0.00 0.00 54.79 51.09 3fg1 n ASP 391 Cb 0.57 -0.37 0.09 0.00 -1.14 0.00 0.00 41.12 40.27 3fg1 n ASP 391 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fg1 s ALA 392 N -2.20 2.19 -0.10 2.12 0.00 -1.26 -4.82 121.76 117.68 3fg1 s ALA 392 Ca 0.30 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 3fg1 s ALA 392 Cb 0.23 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 3fg1 s ALA 392 CO 0.08 -1.78 1.03 0.99 0.00 0.00 0.00 175.76 176.07 3fg1 s THR 393 N -2.57 4.73 -0.11 0.00 2.01 -1.26 -4.91 115.64 113.54 3fg1 s THR 393 Ca 0.66 2.00 0.00 0.00 0.31 0.00 0.00 61.69 64.66 3fg1 s THR 393 Cb -0.21 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.00 3fg1 s THR 393 CO 0.50 0.01 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.70 3fg1 s ILE 394 N 2.02 3.25 0.25 1.82 -1.09 -1.26 -1.86 121.20 124.33 3fg1 s ILE 394 Ca 0.49 -0.61 0.06 0.00 -2.23 0.00 0.00 60.65 58.36 3fg1 s ILE 394 Cb -0.19 -2.35 -0.05 0.00 -1.58 0.00 0.00 42.46 38.29 3fg1 s ILE 394 CO 0.18 0.54 -0.08 0.42 -1.23 0.00 0.00 174.94 174.78 3fg1 s THR 395 N -0.04 1.58 -0.03 2.92 -4.23 -0.20 -1.57 115.64 114.06 3fg1 s THR 395 Ca -0.02 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.36 3fg1 s THR 395 Cb -0.14 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.41 3fg1 s THR 395 CO 0.04 -0.40 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.18 3fg1 s ILE 396 N -3.06 0.40 -0.14 2.99 2.07 0.53 -0.77 121.20 123.21 3fg1 s ILE 396 Ca 0.27 -0.08 -0.04 0.00 -1.41 0.00 0.00 60.65 59.39 3fg1 s ILE 396 Cb 0.03 -0.42 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 3fg1 s ILE 396 CO 0.10 0.18 -0.01 -0.60 -1.91 0.00 0.00 174.94 172.70 3fg1 s ARG 397 N 0.71 3.53 -0.17 3.50 3.52 0.60 -0.46 118.95 130.18 3fg1 s ARG 397 Ca -0.08 -0.45 -0.04 0.00 -0.13 0.00 0.00 55.73 55.03 3fg1 s ARG 397 Cb -0.12 -2.94 -0.02 0.00 -1.56 0.00 0.00 34.95 30.31 3fg1 s ARG 397 CO -0.00 0.39 -0.03 0.42 -0.81 0.00 0.00 175.30 175.26 3fg1 s ILE 398 N -0.02 3.80 -0.08 4.11 1.01 -1.26 -0.58 121.20 128.19 3fg1 s ILE 398 Ca 0.03 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.32 3fg1 s ILE 398 Cb -0.13 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 3fg1 s ILE 398 CO 0.02 0.47 -0.14 -0.89 0.00 0.00 0.00 174.94 174.40 3fg1 s THR 399 N 0.65 3.03 0.00 2.92 2.01 -0.28 -1.12 115.64 122.85 3fg1 s THR 399 Ca -0.02 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3fg1 s THR 399 Cb -0.14 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.15 3fg1 s THR 399 CO 0.02 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 3fg1 n GLY 400 N 2.76 3.92 0.35 4.40 0.00 -0.16 0.07 105.19 116.54 3fg1 n GLY 400 Ca -0.18 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.55 3fg1 n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg1 h ALA 401 N 1.23 2.16 0.00 4.61 0.00 -0.61 -2.81 119.26 123.84 3fg1 h ALA 401 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fg1 h ALA 401 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3fg1 h ALA 401 CO 0.00 -0.29 -0.95 1.63 0.00 0.00 0.00 179.25 179.64 3fg1 n LYS 402 N -4.45 0.13 -0.64 0.00 5.02 0.20 -5.02 118.16 113.39 3fg1 n LYS 402 Ca 0.08 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3fg1 n LYS 402 Cb 0.42 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3fg1 n LYS 402 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fg1 n GLY 403 N 1.44 0.16 3.15 0.72 0.00 -1.06 -4.95 105.19 104.66 3fg1 n GLY 403 Ca 0.03 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 3fg1 n GLY 403 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fg1 s ARG 404 N -2.00 0.64 0.92 1.61 1.70 -1.26 -0.99 118.95 119.57 3fg1 s ARG 404 Ca 0.00 -0.63 -0.13 0.00 -0.47 0.00 0.00 55.73 54.50 3fg1 s ARG 404 Cb 0.00 0.26 0.14 0.00 -0.57 0.00 0.00 34.95 34.78 3fg1 s ARG 404 CO 0.00 -0.17 1.15 0.95 -1.08 0.00 0.00 175.30 176.14 3fg1 s THR 405 N -2.42 1.98 1.06 4.99 -4.23 -0.27 -4.87 115.64 111.89 3fg1 s THR 405 Ca -0.06 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.27 3fg1 s THR 405 Cb -0.02 -2.76 0.24 0.00 1.34 0.00 0.00 72.50 71.30 3fg1 s THR 405 CO -0.03 0.00 1.27 -0.62 -0.54 0.00 0.00 174.62 174.70 3fg1 s ASP 406 N -4.10 2.19 -0.06 3.99 -1.08 -1.26 -4.55 116.67 111.80 3fg1 s ASP 406 Ca 0.64 0.31 -0.30 0.00 -0.52 0.00 0.00 52.55 52.69 3fg1 s ASP 406 Cb -0.14 -0.36 -0.05 0.00 -1.46 0.00 0.00 42.92 40.92 3fg1 s ASP 406 CO 0.53 -3.31 1.59 -0.31 0.52 0.00 0.00 175.17 174.19 3fg1 s TYR 407 N -3.63 2.15 -0.13 -5.34 1.51 -1.26 -4.39 117.35 106.26 3fg1 s TYR 407 Ca 0.74 0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 57.10 3fg1 s TYR 407 Cb -0.05 -3.85 -0.04 0.00 -0.11 0.00 0.00 41.96 37.92 3fg1 s TYR 407 CO 0.54 -3.49 0.04 -0.51 -1.11 0.00 0.00 175.55 171.03 3fg1 s LEU 408 N 3.84 3.79 0.15 -1.29 1.43 0.39 -4.81 118.68 122.18 3fg1 s LEU 408 Ca 0.70 0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 53.67 3fg1 s LEU 408 Cb -0.32 -1.91 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 3fg1 s LEU 408 CO 0.27 0.31 1.16 -0.54 0.23 0.00 0.00 176.35 177.79 3fg1 s LYS 409 N -0.46 4.51 -0.82 1.70 -0.14 -1.26 -0.35 119.74 122.92 3fg1 s LYS 409 Ca 0.09 1.79 -0.03 0.00 -1.36 0.00 0.00 55.97 56.47 3fg1 s LYS 409 Cb -0.12 -3.28 0.20 0.00 -1.68 0.00 0.00 37.83 32.95 3fg1 s LYS 409 CO 0.02 -0.08 0.69 -0.51 -0.76 0.00 0.00 175.35 174.72 3fg1 s LEU 410 N 0.05 5.57 -0.08 3.17 1.43 -0.61 -4.92 118.68 123.28 3fg1 s LEU 410 Ca 0.53 -3.39 0.06 0.00 -1.03 0.00 0.00 54.13 50.29 3fg1 s LEU 410 Cb -0.31 -1.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.90 3fg1 s LEU 410 CO 0.34 -0.27 0.01 -0.90 0.23 0.00 0.00 176.35 175.76 3fg1 n ASP 411 N 2.79 3.17 -4.66 2.29 5.75 -1.26 -4.42 116.55 120.21 3fg1 n ASP 411 Ca 0.17 -0.01 -0.43 0.00 -0.01 0.00 0.00 54.79 54.51 3fg1 n ASP 411 Cb 0.38 0.55 -0.02 0.00 -1.03 0.00 0.00 41.12 41.00 3fg1 n ASP 411 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3fg1 s LYS 412 N -2.18 4.28 0.00 0.11 -0.14 -1.26 -4.87 119.74 115.67 3fg1 s LYS 412 Ca -0.05 1.44 0.00 0.00 -1.36 0.00 0.00 55.97 56.00 3fg1 s LYS 412 Cb 0.02 -3.65 0.00 0.00 -1.68 0.00 0.00 37.83 32.52 3fg1 s LYS 412 CO 0.29 -0.60 0.00 0.41 -0.76 0.00 0.00 175.35 174.69 3fg1 n GLY 413 N 3.36 -0.04 3.96 -3.33 0.00 -1.26 -5.01 105.19 102.86 3fg1 n GLY 413 Ca 0.12 -1.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 3fg1 n GLY 413 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fg1 s SER 414 N -1.05 5.81 -0.80 1.61 0.15 -1.26 -5.06 113.70 113.11 3fg1 s SER 414 Ca 0.00 0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.90 3fg1 s SER 414 Cb 0.00 -1.47 0.19 0.00 -1.71 0.00 0.00 66.02 63.04 3fg1 s SER 414 CO 0.00 -0.71 0.64 -0.36 1.20 0.00 0.00 173.24 174.01 3fg1 s PHE 418 N -2.54 3.74 0.61 3.44 2.99 -1.25 -4.97 117.98 120.01 3fg1 s PHE 418 Ca 0.49 -3.19 -0.10 0.00 0.00 0.00 0.00 56.93 54.12 3fg1 s PHE 418 Cb -0.10 -2.97 -0.03 0.00 0.00 0.00 0.00 43.02 39.92 3fg1 s PHE 418 CO 0.37 -0.64 1.00 -1.21 -0.00 0.00 0.00 175.22 174.74 3fg1 s GLU 419 N -1.42 3.41 0.27 0.44 0.41 -1.26 -1.33 118.70 119.21 3fg1 s GLU 419 Ca 0.26 0.57 -0.31 0.00 -0.41 0.00 0.00 54.97 55.08 3fg1 s GLU 419 Cb -0.06 -2.12 -0.12 0.00 -1.78 0.00 0.00 34.13 30.04 3fg1 s GLU 419 CO -0.15 -0.61 1.51 0.00 -0.49 0.00 0.00 175.26 175.52 3fg1 n ALA 420 N -2.72 1.88 -0.98 5.21 0.00 -1.26 -1.95 120.51 120.69 3fg1 n ALA 420 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3fg1 n ALA 420 Cb 0.55 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3fg1 n ALA 420 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fg1 n GLY 421 N 2.18 0.87 3.83 0.00 0.00 -0.33 -4.85 105.19 106.89 3fg1 n GLY 421 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3fg1 n GLY 421 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg1 s SER 422 N -2.77 6.86 -0.27 1.61 1.04 -0.82 -4.81 113.70 114.54 3fg1 s SER 422 Ca 0.00 1.64 0.03 0.00 0.48 0.00 0.00 55.95 58.10 3fg1 s SER 422 Cb 0.00 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.66 3fg1 s SER 422 CO 0.00 -0.40 -0.07 -0.54 0.98 0.00 0.00 173.24 173.21 3fg1 s LYS 423 N -3.36 2.01 -0.06 4.02 3.01 -1.26 -1.33 119.74 122.76 3fg1 s LYS 423 Ca 0.61 -1.40 0.04 0.00 -1.01 0.00 0.00 55.97 54.21 3fg1 s LYS 423 Cb -0.09 -2.90 -0.02 0.00 -1.01 0.00 0.00 37.83 33.81 3fg1 s LYS 423 CO 0.17 -0.65 -0.18 -1.21 0.51 0.00 0.00 175.35 173.99 3fg1 s GLU 424 N 1.10 2.65 0.00 1.68 0.41 -0.04 -4.92 118.70 119.58 3fg1 s GLU 424 Ca -0.05 -0.78 0.04 0.00 -0.41 0.00 0.00 54.97 53.77 3fg1 s GLU 424 Cb -0.20 -2.33 -0.03 0.00 -1.78 0.00 0.00 34.13 29.79 3fg1 s GLU 424 CO -0.06 0.47 -0.09 -0.65 -0.49 0.00 0.00 175.26 174.44 3fg1 s GLN 425 N -0.34 2.49 0.03 1.61 -0.21 -1.26 -0.74 119.66 121.24 3fg1 s GLN 425 Ca 0.02 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 54.67 3fg1 s GLN 425 Cb -0.13 -2.46 -0.02 0.00 1.00 0.00 0.00 33.01 31.41 3fg1 s GLN 425 CO 0.02 0.60 -0.06 0.71 -2.12 0.00 0.00 175.29 174.44 3fg1 s TYR 426 N -0.96 0.49 -0.21 0.91 1.51 0.27 -5.00 117.35 114.35 3fg1 s TYR 426 Ca 0.16 -0.51 -0.00 0.00 -1.01 0.00 0.00 57.07 55.71 3fg1 s TYR 426 Cb -0.11 -0.31 0.06 0.00 -0.11 0.00 0.00 41.96 41.49 3fg1 s TYR 426 CO 0.07 -0.13 -0.03 0.99 -1.11 0.00 0.00 175.55 175.33 3fg1 s THR 427 N -1.41 1.21 0.17 -0.71 2.01 -1.26 -0.43 115.64 115.23 3fg1 s THR 427 Ca -0.13 -0.95 0.09 0.00 0.31 0.00 0.00 61.69 61.02 3fg1 s THR 427 Cb -0.10 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 3fg1 s THR 427 CO -0.00 -0.08 -0.20 0.68 -0.69 0.00 0.00 174.62 174.33 3fg1 s VAL 428 N 1.55 1.97 0.06 3.82 -7.23 -0.33 -4.96 120.40 115.28 3fg1 s VAL 428 Ca -0.03 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.27 3fg1 s VAL 428 Cb -0.18 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 3fg1 s VAL 428 CO -0.07 -0.25 -0.20 -1.58 -0.31 0.00 0.00 175.10 172.69 3fg1 s GLN 429 N -2.73 1.23 0.04 4.82 0.74 -1.26 -0.06 119.66 122.44 3fg1 s GLN 429 Ca 0.17 -1.00 -0.08 0.00 0.05 0.00 0.00 55.36 54.50 3fg1 s GLN 429 Cb -0.07 -1.38 0.03 0.00 1.10 0.00 0.00 33.01 32.69 3fg1 s GLN 429 CO 0.07 0.34 0.36 0.41 -0.55 0.00 0.00 175.29 175.93 3fg1 n GLY 430 N 1.56 0.90 3.57 2.59 0.00 -0.82 -4.99 105.19 108.00 3fg1 n GLY 430 Ca -0.18 -0.97 -0.48 0.00 0.00 0.00 0.00 46.02 44.39 3fg1 n GLY 430 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3fg1 n PHE 431 N -0.26 1.13 -2.38 1.61 -0.00 -1.26 -0.37 117.46 115.92 3fg1 n PHE 431 Ca -0.00 0.72 -0.42 0.00 -0.00 0.00 0.00 57.45 57.75 3fg1 n PHE 431 Cb 0.19 -2.24 -0.02 0.00 -0.00 0.00 0.00 39.48 37.40 3fg1 n PHE 431 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3fg1 s ASP 432 N -0.26 6.18 0.00 -2.13 2.15 -1.22 -4.45 116.67 116.95 3fg1 s ASP 432 Ca 0.68 0.41 0.31 0.00 0.43 0.00 0.00 52.55 54.39 3fg1 s ASP 432 Cb -0.82 -2.54 1.71 0.00 -0.30 0.00 0.00 42.92 40.97 3fg1 s ASP 432 CO 0.55 -1.64 2.13 1.33 -0.17 0.00 0.00 175.17 177.37 3fg1 n VAL 433 N 6.92 0.00 -4.39 1.11 0.24 -1.26 -4.75 118.33 116.20 3fg1 n VAL 433 Ca 0.13 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 3fg1 n VAL 433 Cb 0.49 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 3fg1 n VAL 433 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fg1 n GLY 434 N 1.08 1.18 3.66 7.63 0.00 -1.26 -0.63 105.19 116.84 3fg1 n GLY 434 Ca 0.22 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3fg1 n GLY 434 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fg1 s ASP 435 N -4.00 6.55 0.21 1.61 2.15 -1.26 -4.78 116.67 117.15 3fg1 s ASP 435 Ca 0.00 2.25 -0.30 0.00 0.43 0.00 0.00 52.55 54.93 3fg1 s ASP 435 Cb 0.00 -2.53 -0.09 0.00 -0.30 0.00 0.00 42.92 39.99 3fg1 s ASP 435 CO 0.00 -1.02 1.40 -0.63 -0.17 0.00 0.00 175.17 174.75 3fg1 s ILE 436 N 4.38 2.92 -0.03 4.11 1.01 -1.26 -1.82 121.20 130.51 3fg1 s ILE 436 Ca 0.77 0.74 0.02 0.00 0.00 0.00 0.00 60.65 62.19 3fg1 s ILE 436 Cb -0.34 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3fg1 s ILE 436 CO 0.32 0.10 0.01 0.00 0.00 0.00 0.00 174.94 175.38 3fg1 n GLN 437 N 2.80 3.30 -3.52 2.79 6.02 0.11 -4.92 117.38 123.95 3fg1 n GLN 437 Ca 0.08 -0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.97 3fg1 n GLN 437 Cb 0.41 -1.07 -0.02 0.00 1.02 0.00 0.00 30.24 30.58 3fg1 n GLN 437 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3fg1 s LEU 438 N -4.13 -0.43 0.19 1.08 0.05 -1.05 -4.34 118.68 110.05 3fg1 s LEU 438 Ca -0.01 -0.10 0.05 0.00 0.05 0.00 0.00 54.13 54.11 3fg1 s LEU 438 Cb 0.01 2.36 -0.05 0.00 -2.05 0.00 0.00 46.19 46.46 3fg1 s LEU 438 CO 0.11 -0.87 -0.07 0.27 -0.55 0.00 0.00 176.35 175.24 3fg1 s ILE 439 N -3.50 1.19 -0.06 1.48 -4.36 -0.79 -1.13 121.20 114.04 3fg1 s ILE 439 Ca 0.04 -2.07 -0.01 0.00 -0.26 0.00 0.00 60.65 58.36 3fg1 s ILE 439 Cb -0.02 -2.08 0.03 0.00 1.25 0.00 0.00 42.46 41.64 3fg1 s ILE 439 CO -0.08 -0.55 -0.00 -1.61 0.24 0.00 0.00 174.94 172.93 3fg1 s GLU 440 N -3.78 0.59 -0.03 0.37 2.02 0.26 -1.40 118.70 116.74 3fg1 s GLU 440 Ca 0.22 0.09 -0.13 0.00 0.02 0.00 0.00 54.97 55.17 3fg1 s GLU 440 Cb 0.03 -0.91 -0.05 0.00 0.10 0.00 0.00 34.13 33.30 3fg1 s GLU 440 CO 0.05 -0.26 0.36 -0.51 0.02 0.00 0.00 175.26 174.91 3fg1 s LEU 441 N 1.78 4.45 -0.03 1.80 1.43 0.24 -0.29 118.68 128.06 3fg1 s LEU 441 Ca 0.02 0.86 0.05 0.00 -1.03 0.00 0.00 54.13 54.03 3fg1 s LEU 441 Cb -0.13 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 3fg1 s LEU 441 CO -0.04 0.33 -0.17 -2.28 0.23 0.00 0.00 176.35 174.41 3fg1 s HIS 442 N -0.99 1.64 -0.06 0.29 2.46 0.05 -1.28 115.29 117.38 3fg1 s HIS 442 Ca 0.22 -0.38 0.04 0.00 0.47 0.00 0.00 55.06 55.41 3fg1 s HIS 442 Cb -0.16 -1.08 -0.02 0.00 -0.13 0.00 0.00 32.58 31.20 3fg1 s HIS 442 CO 0.11 -0.09 -0.19 0.45 -2.47 0.00 0.00 174.74 172.56 3fg1 s SER 443 N -0.22 3.58 0.00 9.88 0.15 0.68 -1.04 113.70 126.73 3fg1 s SER 443 Ca 0.02 -0.36 0.23 0.00 0.70 0.00 0.00 55.95 56.54 3fg1 s SER 443 Cb -0.09 -0.93 1.40 0.00 -1.71 0.00 0.00 66.02 64.69 3fg1 s SER 443 CO 0.01 0.27 1.88 -0.90 1.20 0.00 0.00 173.24 175.70 3fg1 n ASP 444 N 2.77 0.00 -0.24 5.45 5.75 -0.78 -4.64 116.55 124.86 3fg1 n ASP 444 Ca -0.17 -1.19 -0.03 0.00 -0.01 0.00 0.00 54.79 53.39 3fg1 n ASP 444 Cb 0.52 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.60 3fg1 n ASP 444 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fg1 n GLY 445 N 0.81 0.62 0.00 6.12 0.00 -1.26 -4.86 105.19 106.62 3fg1 n GLY 445 Ca 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3fg1 n GLY 445 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 446 N -2.20 -1.13 0.00 -0.02 0.00 -1.26 -4.75 105.19 95.84 3fg1 n GLY 446 Ca -0.03 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3fg1 n GLY 446 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 447 N -1.08 5.74 0.31 -0.02 0.00 -1.26 -4.95 105.19 103.93 3fg1 n GLY 447 Ca 0.00 -2.09 0.06 0.00 0.00 0.00 0.00 46.02 43.99 3fg1 n GLY 447 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fg1 h TYR 448 N 0.32 0.84 -0.01 1.61 5.03 -2.02 -2.05 116.97 120.68 3fg1 h TYR 448 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3fg1 h TYR 448 Cb 0.00 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.04 3fg1 h TYR 448 CO 0.00 0.25 -0.05 0.91 -1.32 0.00 0.00 178.16 177.94 3fg1 n TRP 449 N -4.81 0.00 -2.16 -3.82 7.02 -1.26 -4.92 117.44 107.49 3fg1 n TRP 449 Ca 0.17 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.22 3fg1 n TRP 449 Cb 0.40 -0.02 -0.02 0.00 -2.42 0.00 0.00 31.31 29.24 3fg1 n TRP 449 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3fg1 s SER 450 N -2.10 6.65 -0.07 -0.99 0.01 -0.77 -4.92 113.70 111.50 3fg1 s SER 450 Ca 0.35 1.88 -0.26 0.00 1.31 0.00 0.00 55.95 59.22 3fg1 s SER 450 Cb 0.21 -2.53 -0.21 0.00 0.21 0.00 0.00 66.02 63.69 3fg1 s SER 450 CO 0.37 -0.99 1.01 1.23 0.41 0.00 0.00 173.24 175.27 3fg1 h GLY 451 N 10.58 -0.04 -6.10 3.44 0.00 -1.91 -3.43 103.07 105.61 3fg1 h GLY 451 Ca -0.34 0.01 -0.48 0.00 0.00 0.00 0.00 47.33 46.53 3fg1 h GLY 451 CO 0.98 -0.01 -0.84 -0.35 0.00 0.00 0.00 176.54 176.31 3fg1 s ASP 452 N -5.83 0.91 0.58 0.19 2.15 -1.26 -5.01 116.67 108.39 3fg1 s ASP 452 Ca -0.16 -2.58 0.30 0.00 0.43 0.00 0.00 52.55 50.53 3fg1 s ASP 452 Cb -0.00 0.15 1.77 0.00 -0.30 0.00 0.00 42.92 44.53 3fg1 s ASP 452 CO 0.64 -0.16 2.22 1.55 -0.17 0.00 0.00 175.17 179.24 3fg1 h PRO 453 N 5.75 0.00 -6.83 4.34 0.13 -1.85 -3.43 132.00 130.11 3fg1 h PRO 453 Ca 0.19 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.76 3fg1 h PRO 453 Cb 0.97 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.22 3fg1 h PRO 453 CO 0.27 0.03 0.56 -0.25 -0.23 0.00 0.00 178.00 178.38 3fg1 n ASP 454 N -3.76 2.88 -3.86 1.44 10.43 -1.26 -4.68 116.55 117.73 3fg1 n ASP 454 Ca -0.03 1.16 -0.26 0.00 2.57 0.00 0.00 54.79 58.24 3fg1 n ASP 454 Cb 0.12 -1.52 -0.17 0.00 1.84 0.00 0.00 41.12 41.39 3fg1 n ASP 454 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3fg1 s TRP 455 N -1.15 1.26 -0.38 1.24 -0.00 -0.59 -4.58 118.94 114.75 3fg1 s TRP 455 Ca 0.58 -0.62 -0.18 0.00 -0.00 0.00 0.00 56.10 55.87 3fg1 s TRP 455 Cb -0.52 -1.11 0.01 0.00 -0.00 0.00 0.00 33.47 31.84 3fg1 s TRP 455 CO 0.60 -0.48 0.50 0.12 -0.00 0.00 0.00 176.95 177.70 3fg1 s PHE 456 N 1.78 3.16 -0.20 5.86 5.36 0.41 0.54 117.98 134.88 3fg1 s PHE 456 Ca 0.04 -0.01 -0.06 0.00 -0.96 0.00 0.00 56.93 55.94 3fg1 s PHE 456 Cb -0.13 -2.95 -0.03 0.00 -0.34 0.00 0.00 43.02 39.57 3fg1 s PHE 456 CO -0.07 -0.62 0.03 0.08 -1.46 0.00 0.00 175.22 173.18 3fg1 s VAL 457 N 2.36 4.28 -0.07 3.12 1.01 -1.10 -0.95 120.40 129.06 3fg1 s VAL 457 Ca 0.17 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 3fg1 s VAL 457 Cb -0.16 -2.95 -0.13 0.00 0.00 0.00 0.00 36.38 33.15 3fg1 s VAL 457 CO 0.14 0.42 0.63 0.78 0.00 0.00 0.00 175.10 177.07 3fg1 h ASN 458 N 7.39 -0.16 -4.95 3.32 -0.26 -0.91 0.15 115.58 120.18 3fg1 h ASN 458 Ca -0.36 -0.32 -0.05 0.00 -0.56 0.00 0.00 56.30 55.01 3fg1 h ASN 458 Cb 1.18 0.04 -0.19 0.00 -1.06 0.00 0.00 38.32 38.29 3fg1 h ASN 458 CO 0.63 0.43 0.21 -0.60 -1.06 0.00 0.00 177.43 177.04 3fg1 s ARG 459 N -2.82 1.05 -0.05 0.81 3.52 -1.11 0.04 118.95 120.39 3fg1 s ARG 459 Ca -0.10 0.18 0.06 0.00 -0.13 0.00 0.00 55.73 55.74 3fg1 s ARG 459 Cb -0.00 0.49 -0.01 0.00 -1.56 0.00 0.00 34.95 33.87 3fg1 s ARG 459 CO 0.37 -0.34 -0.24 0.08 -0.81 0.00 0.00 175.30 174.35 3fg1 s VAL 460 N -1.43 1.97 -0.08 7.11 1.01 -0.66 -0.69 120.40 127.64 3fg1 s VAL 460 Ca -0.09 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 60.90 3fg1 s VAL 460 Cb -0.00 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 3fg1 s VAL 460 CO 0.07 0.55 -0.23 -0.63 0.00 0.00 0.00 175.10 174.87 3fg1 s ILE 461 N -0.25 1.93 -0.02 2.22 1.01 0.28 -0.62 121.20 125.76 3fg1 s ILE 461 Ca -0.00 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.72 3fg1 s ILE 461 Cb -0.12 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 3fg1 s ILE 461 CO 0.02 0.53 -0.14 -0.63 0.00 0.00 0.00 174.94 174.73 3fg1 s ILE 462 N 0.16 1.12 -0.11 2.92 1.01 0.25 -0.45 121.20 126.10 3fg1 s ILE 462 Ca -0.12 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 59.96 3fg1 s ILE 462 Cb -0.16 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.38 3fg1 s ILE 462 CO 0.06 0.32 -0.19 -0.63 0.00 0.00 0.00 174.94 174.51 3fg1 s ILE 463 N -0.24 1.74 -0.11 2.92 1.01 -0.58 -0.95 121.20 124.99 3fg1 s ILE 463 Ca 0.04 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 3fg1 s ILE 463 Cb -0.06 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3fg1 s ILE 463 CO -0.00 0.49 0.19 -0.55 0.00 0.00 0.00 174.94 175.07 3fg1 s SER 464 N 0.80 6.44 0.47 3.58 0.15 -1.26 -0.73 113.70 123.15 3fg1 s SER 464 Ca -0.09 0.52 0.29 0.00 0.70 0.00 0.00 55.95 57.37 3fg1 s SER 464 Cb -0.16 -2.11 1.57 0.00 -1.71 0.00 0.00 66.02 63.62 3fg1 s SER 464 CO 0.00 0.35 1.87 0.77 1.20 0.00 0.00 173.24 177.44 3fg1 h SER 465 N 5.25 0.00 -0.02 5.45 4.64 -1.31 -2.38 113.55 125.18 3fg1 h SER 465 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3fg1 h SER 465 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3fg1 h SER 465 CO 0.62 0.00 -0.25 0.35 -0.87 0.00 0.00 176.83 176.68 3fg1 n THR 466 N -2.56 0.00 -4.71 2.95 -2.24 -1.26 -4.96 114.28 101.51 3fg1 n THR 466 Ca -0.02 -0.38 -0.25 0.00 -2.27 0.00 0.00 64.05 61.13 3fg1 n THR 466 Cb 0.11 1.27 -0.16 0.00 -2.10 0.00 0.00 70.33 69.45 3fg1 n THR 466 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3fg1 s GLN 467 N -1.88 1.70 -1.16 -0.78 -1.52 -0.90 -5.03 119.66 110.09 3fg1 s GLN 467 Ca 0.17 -0.51 -0.07 0.00 -1.95 0.00 0.00 55.36 53.00 3fg1 s GLN 467 Cb 0.15 -1.44 0.25 0.00 -0.22 0.00 0.00 33.01 31.74 3fg1 s GLN 467 CO 0.38 0.15 1.58 -3.47 -0.25 0.00 0.00 175.29 173.68 3fg1 n ASP 468 N 3.41 5.84 -3.53 5.90 2.03 -1.26 -4.50 116.55 124.43 3fg1 n ASP 468 Ca -0.20 -3.25 -0.17 0.00 0.52 0.00 0.00 54.79 51.69 3fg1 n ASP 468 Cb 0.53 -1.37 -0.06 0.00 -0.72 0.00 0.00 41.12 39.50 3fg1 n ASP 468 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3fg1 s ARG 469 N -1.35 0.97 -0.17 -0.67 0.52 -1.26 -5.15 118.95 111.85 3fg1 s ARG 469 Ca 0.35 0.23 -0.03 0.00 -0.52 0.00 0.00 55.73 55.76 3fg1 s ARG 469 Cb 0.05 0.46 -0.02 0.00 0.52 0.00 0.00 34.95 35.95 3fg1 s ARG 469 CO 0.05 -0.30 -0.06 0.08 0.02 0.00 0.00 175.30 175.09 3fg1 s VAL 470 N -1.19 3.58 -0.20 3.52 1.01 -1.26 -4.54 120.40 121.32 3fg1 s VAL 470 Ca -0.09 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 3fg1 s VAL 470 Cb -0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3fg1 s VAL 470 CO 0.08 0.48 0.08 -0.31 0.00 0.00 0.00 175.10 175.43 3fg1 s TYR 471 N 0.65 3.23 -0.13 5.22 1.51 -0.12 -4.97 117.35 122.75 3fg1 s TYR 471 Ca -0.03 0.02 0.03 0.00 -1.01 0.00 0.00 57.07 56.08 3fg1 s TYR 471 Cb -0.15 -2.14 0.01 0.00 -0.11 0.00 0.00 41.96 39.57 3fg1 s TYR 471 CO 0.02 0.06 -0.22 0.45 -1.11 0.00 0.00 175.55 174.76 3fg1 s SER 472 N 0.69 3.01 -0.44 2.29 0.15 -1.26 -0.58 113.70 117.55 3fg1 s SER 472 Ca 0.04 -0.57 0.04 0.00 0.70 0.00 0.00 55.95 56.16 3fg1 s SER 472 Cb -0.13 -1.39 0.12 0.00 -1.71 0.00 0.00 66.02 62.91 3fg1 s SER 472 CO 0.02 0.09 0.18 -0.36 1.20 0.00 0.00 173.24 174.37 3fg1 s PHE 473 N 0.72 3.26 0.46 3.44 0.40 0.21 -1.09 117.98 125.38 3fg1 s PHE 473 Ca -0.10 -3.03 -0.23 0.00 -0.60 0.00 0.00 56.93 52.98 3fg1 s PHE 473 Cb -0.16 -2.76 -0.08 0.00 0.51 0.00 0.00 43.02 40.53 3fg1 s PHE 473 CO 0.01 -0.82 1.12 -1.25 0.70 0.00 0.00 175.22 174.98 3fg1 s PRO 474 N 0.23 3.82 0.00 0.24 0.04 -1.26 -1.65 135.00 136.41 3fg1 s PRO 474 Ca 0.15 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.83 3fg1 s PRO 474 Cb -0.23 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.95 3fg1 s PRO 474 CO -0.04 -0.47 0.00 0.00 0.04 0.00 0.00 177.00 176.54 3fg1 n PHE 476 N -1.61 -2.60 -3.91 0.00 3.01 0.54 -4.92 117.46 107.97 3fg1 n PHE 476 Ca 0.00 0.97 -0.09 0.00 1.01 0.00 0.00 57.45 59.34 3fg1 n PHE 476 Cb 0.00 -4.71 -0.07 0.00 -0.01 0.00 0.00 39.48 34.69 3fg1 n PHE 476 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3fg1 s ARG 477 N -6.29 0.96 0.11 -1.08 0.52 -1.20 -5.00 118.95 106.98 3fg1 s ARG 477 Ca 0.52 -1.06 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 3fg1 s ARG 477 Cb -0.24 0.35 -0.06 0.00 0.52 0.00 0.00 34.95 35.52 3fg1 s ARG 477 CO 0.76 -0.32 1.01 -1.58 0.02 0.00 0.00 175.30 175.19 3fg1 s TRP 478 N -3.91 3.73 -0.30 -0.53 0.52 -1.26 -2.69 118.94 114.49 3fg1 s TRP 478 Ca 0.10 1.72 -0.13 0.00 0.02 0.00 0.00 56.10 57.81 3fg1 s TRP 478 Cb 0.04 -3.13 -0.03 0.00 -1.15 0.00 0.00 33.47 29.20 3fg1 s TRP 478 CO -0.06 -0.09 0.29 0.08 0.02 0.00 0.00 176.95 177.19 3fg1 s VAL 479 N 0.09 5.24 -0.06 4.03 1.01 0.19 -4.93 120.40 125.96 3fg1 s VAL 479 Ca 0.49 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 3fg1 s VAL 479 Cb -0.25 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3fg1 s VAL 479 CO 0.31 0.10 -0.12 -0.38 0.00 0.00 0.00 175.10 175.01 3fg1 n ILE 480 N 5.13 0.50 0.00 2.22 2.08 -1.26 -1.54 119.36 126.49 3fg1 n ILE 480 Ca -0.11 0.38 0.00 0.00 0.56 0.00 0.00 62.75 63.58 3fg1 n ILE 480 Cb 0.51 -1.78 0.00 0.00 -0.75 0.00 0.00 39.64 37.62 3fg1 n ILE 480 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3fg1 n LYS 481 N -3.15 0.00 -4.37 0.38 4.76 -1.26 -4.59 118.16 109.93 3fg1 n LYS 481 Ca -0.05 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.21 3fg1 n LYS 481 Cb 0.17 -0.49 -0.15 0.00 -1.84 0.00 0.00 35.03 32.73 3fg1 n LYS 481 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3fg1 s ASP 482 N -4.61 1.07 -0.09 4.39 1.11 -1.26 -0.23 116.67 117.04 3fg1 s ASP 482 Ca 0.00 -0.17 -0.04 0.00 0.18 0.00 0.00 52.55 52.53 3fg1 s ASP 482 Cb 0.00 -0.12 0.05 0.00 1.07 0.00 0.00 42.92 43.92 3fg1 s ASP 482 CO 0.00 0.11 0.17 -0.32 1.18 0.00 0.00 175.17 176.31 3fg1 s MET 483 N -0.22 0.05 -0.05 8.23 1.75 -0.40 -4.98 119.30 123.66 3fg1 s MET 483 Ca 0.03 0.56 -0.20 0.00 -1.25 0.00 0.00 55.69 54.84 3fg1 s MET 483 Cb -0.04 -0.31 -0.05 0.00 2.84 0.00 0.00 34.83 37.28 3fg1 s MET 483 CO -0.00 -0.32 0.55 0.08 -0.65 0.00 0.00 175.02 174.68 3fg1 s VAL 484 N 2.30 5.04 0.05 10.11 1.01 -1.26 -0.60 120.40 137.06 3fg1 s VAL 484 Ca 0.03 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.19 3fg1 s VAL 484 Cb -0.12 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 3fg1 s VAL 484 CO -0.06 0.37 -0.13 -0.76 0.00 0.00 0.00 175.10 174.52 3fg1 s LEU 485 N 0.18 2.21 0.10 3.92 1.43 -0.49 -5.01 118.68 121.02 3fg1 s LEU 485 Ca 0.29 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 3fg1 s LEU 485 Cb -0.17 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 3fg1 s LEU 485 CO 0.14 -0.03 -0.12 -0.36 0.23 0.00 0.00 176.35 176.21 3fg1 s PHE 486 N -1.02 2.68 0.39 0.29 2.99 -1.26 -1.88 117.98 120.17 3fg1 s PHE 486 Ca -0.01 -0.18 -0.16 0.00 0.00 0.00 0.00 56.93 56.58 3fg1 s PHE 486 Cb -0.09 -1.42 -0.09 0.00 0.00 0.00 0.00 43.02 41.43 3fg1 s PHE 486 CO 0.01 0.41 0.83 -1.25 -0.00 0.00 0.00 175.22 175.22 3fg1 s PRO 487 N -2.12 4.03 1.64 0.24 0.04 -1.26 -4.39 135.00 133.18 3fg1 s PRO 487 Ca 0.20 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3fg1 s PRO 487 Cb -0.11 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3fg1 s PRO 487 CO 0.12 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.60 3fg1 n GLY 488 N -0.71 -1.32 3.80 0.56 0.00 -0.25 -4.96 105.19 102.30 3fg1 n GLY 488 Ca 0.05 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 3fg1 n GLY 488 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg1 s GLU 489 N 0.00 2.98 0.69 1.61 8.01 -1.26 -4.75 118.70 125.98 3fg1 s GLU 489 Ca 0.00 1.15 -0.17 0.00 0.01 0.00 0.00 54.97 55.97 3fg1 s GLU 489 Cb 0.00 -1.99 0.02 0.00 -4.31 0.00 0.00 34.13 27.85 3fg1 s GLU 489 CO 0.00 -1.08 1.27 0.00 0.01 0.00 0.00 175.26 175.46 3fg1 s ALA 490 N -2.68 2.22 0.04 5.21 0.00 -1.26 -5.02 121.76 120.28 3fg1 s ALA 490 Ca 0.62 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.70 3fg1 s ALA 490 Cb -0.16 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 3fg1 s ALA 490 CO 0.46 -1.79 -0.08 0.95 0.00 0.00 0.00 175.76 175.30 3fg1 s THR 491 N -1.62 0.56 0.56 0.00 -4.23 -0.18 -4.84 115.64 105.87 3fg1 s THR 491 Ca 0.80 -1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 60.07 3fg1 s THR 491 Cb -0.35 -0.63 -0.06 0.00 1.34 0.00 0.00 72.50 72.80 3fg1 s THR 491 CO 0.43 -0.38 0.99 -0.76 -0.54 0.00 0.00 174.62 174.36 3fg1 s LEU 492 N -1.60 3.46 0.52 4.79 1.43 -1.26 -4.02 118.68 122.00 3fg1 s LEU 492 Ca -0.10 1.48 0.19 0.00 -1.03 0.00 0.00 54.13 54.67 3fg1 s LEU 492 Cb -0.10 -4.46 1.31 0.00 0.03 0.00 0.00 46.19 42.96 3fg1 s LEU 492 CO 0.00 -0.70 2.10 1.55 0.23 0.00 0.00 176.35 179.53 3fg1 h PRO 493 N 0.38 0.01 -0.01 1.29 0.13 -1.97 -1.77 132.00 130.07 3fg1 h PRO 493 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3fg1 h PRO 493 Cb 1.19 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3fg1 h PRO 493 CO 0.62 0.01 -0.31 1.97 -0.23 0.00 0.00 178.00 180.06 3fg1 n PHE 494 N -4.48 0.00 -2.00 1.56 1.16 -1.26 -4.91 117.46 107.52 3fg1 n PHE 494 Ca 0.02 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.20 3fg1 n PHE 494 Cb 0.27 -0.16 -0.00 0.00 -1.61 0.00 0.00 39.48 37.97 3fg1 n PHE 494 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 3fg1 s ASN 495 N -2.63 6.32 -0.08 5.98 0.02 -0.67 -4.89 114.94 118.99 3fg1 s ASN 495 Ca 0.21 2.74 -0.29 0.00 -1.02 0.00 0.00 52.86 54.49 3fg1 s ASN 495 Cb 0.19 -2.64 -0.06 0.00 0.02 0.00 0.00 41.25 38.76 3fg1 s ASN 495 CO 0.56 -0.85 1.79 -0.70 0.02 0.00 0.00 177.10 177.92 3fg1 s GLU 496 N -2.19 3.98 0.16 -0.60 2.12 -1.26 -4.95 118.70 115.96 3fg1 s GLU 496 Ca 0.56 2.17 -0.04 0.00 0.36 0.00 0.00 54.97 58.03 3fg1 s GLU 496 Cb -0.40 -4.08 -0.03 0.00 0.26 0.00 0.00 34.13 29.88 3fg1 s GLU 496 CO 0.52 -1.10 0.15 0.14 -0.54 0.00 0.00 175.26 174.43 3fg1 s VAL 497 N 4.83 0.06 0.55 3.70 -7.23 -1.26 -5.14 120.40 115.91 3fg1 s VAL 497 Ca 0.80 -1.78 -0.21 0.00 -1.81 0.00 0.00 61.98 58.98 3fg1 s VAL 497 Cb -0.34 -2.12 -0.06 0.00 0.56 0.00 0.00 36.38 34.42 3fg1 s VAL 497 CO 0.33 -0.28 1.16 -2.65 -0.31 0.00 0.00 175.10 173.35 3fg1 n PRO 498 N -0.18 1.32 -0.31 4.82 -0.02 -1.26 -4.81 135.00 134.55 3fg1 n PRO 498 Ca -0.04 0.49 0.08 0.00 -2.02 0.00 0.00 63.50 62.02 3fg1 n PRO 498 Cb 0.64 -2.34 0.29 0.00 -0.02 0.00 0.00 33.50 32.07 3fg1 n PRO 498 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fg1 h ALA 499 N 1.07 1.64 -0.17 3.55 0.00 -2.01 -1.40 119.26 121.93 3fg1 h ALA 499 Ca -0.49 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3fg1 h ALA 499 Cb 1.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3fg1 h ALA 499 CO 0.55 0.14 -0.15 0.97 0.00 0.00 0.00 179.25 180.75 3fg1 h ILE 500 N 0.89 1.20 0.09 0.00 2.10 -1.99 -1.00 117.51 118.79 3fg1 h ILE 500 Ca 0.46 -0.90 -0.00 0.00 1.08 0.00 0.00 64.86 65.49 3fg1 h ILE 500 Cb 0.52 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 3fg1 h ILE 500 CO -0.22 0.28 -0.04 0.58 -1.08 0.00 0.00 178.15 177.67 3fg1 h VAL 501 N 0.27 1.04 -1.00 2.19 2.07 -1.62 -1.89 116.25 117.31 3fg1 h VAL 501 Ca 0.05 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.17 3fg1 h VAL 501 Cb 0.44 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 3fg1 h VAL 501 CO 0.03 0.11 0.65 0.28 0.02 0.00 0.00 177.57 178.66 3fg1 h SER 502 N -0.32 1.09 -0.47 0.57 0.02 -1.02 -0.43 113.55 113.00 3fg1 h SER 502 Ca -0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3fg1 h SER 502 Cb 0.27 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3fg1 h SER 502 CO 0.02 0.75 0.29 -0.33 -1.14 0.00 0.00 176.83 176.42 3fg1 h GLU 503 N 1.27 0.63 -0.29 3.45 5.08 -1.14 -1.14 114.58 122.44 3fg1 h GLU 503 Ca 0.39 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 3fg1 h GLU 503 Cb -0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3fg1 h GLU 503 CO -0.12 0.45 -0.24 1.96 -1.00 0.00 0.00 179.01 180.06 3fg1 h GLN 504 N 0.62 0.55 -0.22 2.33 1.08 -0.87 -1.29 115.11 117.32 3fg1 h GLN 504 Ca 0.17 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3fg1 h GLN 504 Cb -0.02 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 3fg1 h GLN 504 CO -0.03 0.75 0.10 -0.09 -0.95 0.00 0.00 178.83 178.60 3fg1 h ARG 505 N 0.49 0.33 -0.74 1.46 2.43 -0.77 -0.40 114.38 117.17 3fg1 h ARG 505 Ca 0.07 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3fg1 h ARG 505 Cb 0.68 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 3fg1 h ARG 505 CO 0.05 0.37 0.48 1.96 -1.51 0.00 0.00 179.97 181.31 3fg1 h GLN 506 N 0.21 0.98 -0.65 0.20 4.20 -0.98 -2.47 115.11 116.61 3fg1 h GLN 506 Ca 0.07 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3fg1 h GLN 506 Cb 0.16 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3fg1 h GLN 506 CO -0.01 0.66 0.40 0.87 -0.67 0.00 0.00 178.83 180.09 3fg1 h LYS 507 N 1.00 0.77 -0.41 1.46 6.56 -1.00 -0.96 116.57 124.00 3fg1 h LYS 507 Ca 0.27 -0.05 0.08 0.00 -1.06 0.00 0.00 60.65 59.89 3fg1 h LYS 507 Cb -0.09 -0.17 -0.07 0.00 -0.57 0.00 0.00 32.23 31.32 3fg1 h LYS 507 CO -0.06 0.51 -0.02 1.49 -2.06 0.00 0.00 179.45 179.32 3fg1 h GLU 508 N 0.80 0.08 -0.16 3.15 4.81 -0.73 -1.65 114.58 120.87 3fg1 h GLU 508 Ca 0.26 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 3fg1 h GLU 508 Cb 0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3fg1 h GLU 508 CO -0.10 0.05 -0.43 -0.07 -0.73 0.00 0.00 179.01 177.74 3fg1 h LEU 509 N 0.08 0.41 -0.29 1.64 3.38 -1.01 0.63 115.31 120.16 3fg1 h LEU 509 Ca 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fg1 h LEU 509 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3fg1 h LEU 509 CO -0.35 0.79 0.19 -0.33 0.09 0.00 0.00 178.44 178.82 3fg1 h GLU 510 N 0.32 0.38 -0.60 1.13 5.08 -0.87 -2.53 114.58 117.49 3fg1 h GLU 510 Ca 0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3fg1 h GLU 510 Cb 0.89 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 3fg1 h GLU 510 CO 0.07 0.27 0.30 0.37 -1.00 0.00 0.00 179.01 179.02 3fg1 h GLN 511 N 0.38 0.87 -0.64 2.33 5.75 -0.86 -2.98 115.11 119.96 3fg1 h GLN 511 Ca 0.10 -0.12 0.12 0.00 -0.15 0.00 0.00 58.65 58.61 3fg1 h GLN 511 Cb -0.03 -0.16 -0.09 0.00 1.07 0.00 0.00 27.48 28.27 3fg1 h GLN 511 CO -0.02 0.69 0.16 0.00 -2.65 0.00 0.00 178.83 177.01 3fg1 h ARG 512 N 0.83 0.28 0.00 1.69 2.47 -0.68 -1.34 114.38 117.63 3fg1 h ARG 512 Ca 0.21 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.88 3fg1 h ARG 512 Cb 0.10 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3fg1 h ARG 512 CO -0.03 0.19 -0.13 0.87 0.56 0.00 0.00 179.97 181.42 3fg1 h LYS 513 N 0.29 0.00 0.09 0.04 1.57 -1.30 0.30 116.57 117.56 3fg1 h LYS 513 Ca 0.34 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.86 3fg1 h LYS 513 Cb 0.52 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.84 3fg1 h LYS 513 CO -0.42 0.13 -1.14 -0.07 -0.57 0.00 0.00 179.45 177.39 3fg1 h LEU 514 N 0.00 0.57 0.17 2.94 3.38 -1.23 -3.36 115.31 117.78 3fg1 h LEU 514 Ca -0.00 -0.54 -0.31 0.00 0.09 0.00 0.00 57.88 57.12 3fg1 h LEU 514 Cb 0.33 -0.18 0.03 0.00 0.09 0.00 0.00 40.66 40.93 3fg1 h LEU 514 CO 0.02 1.37 -1.35 0.74 0.09 0.00 0.00 178.44 179.31 3fg1 h THR 515 N 0.18 1.34 -3.51 0.22 2.02 -0.56 -3.43 112.91 109.17 3fg1 h THR 515 Ca -0.13 -2.73 -0.69 0.00 0.77 0.00 0.00 66.41 63.62 3fg1 h THR 515 Cb 1.82 2.92 -0.34 0.00 -1.74 0.00 0.00 68.15 70.80 3fg1 h THR 515 CO 0.20 0.82 -0.56 -0.31 0.37 0.00 0.00 175.52 176.03 3fg1 s TYR 516 N -2.73 3.57 0.11 3.16 1.51 0.99 -4.90 117.35 119.06 3fg1 s TYR 516 Ca -0.08 -2.38 0.10 0.00 -1.01 0.00 0.00 57.07 53.71 3fg1 s TYR 516 Cb 0.05 -3.14 -0.04 0.00 -0.11 0.00 0.00 41.96 38.73 3fg1 s TYR 516 CO 0.93 -0.96 -0.26 -0.65 -1.11 0.00 0.00 175.55 173.50 3fg1 s GLN 517 N 1.15 1.45 0.43 -0.62 -0.21 -1.26 -4.60 119.66 115.99 3fg1 s GLN 517 Ca 0.07 -1.28 -0.24 0.00 0.02 0.00 0.00 55.36 53.94 3fg1 s GLN 517 Cb -0.22 -1.85 -0.08 0.00 1.00 0.00 0.00 33.01 31.85 3fg1 s GLN 517 CO -0.04 0.45 1.14 -1.58 -2.12 0.00 0.00 175.29 173.14 3fg1 s TRP 518 N -1.02 3.01 0.17 0.91 0.52 -1.26 -0.60 118.94 120.67 3fg1 s TRP 518 Ca 0.13 1.56 -0.11 0.00 0.02 0.00 0.00 56.10 57.70 3fg1 s TRP 518 Cb -0.10 -3.33 0.00 0.00 -1.15 0.00 0.00 33.47 28.89 3fg1 s TRP 518 CO 0.05 -1.28 0.34 0.34 0.02 0.00 0.00 176.95 176.42 3fg1 s ASP 519 N -1.33 -0.03 -0.04 2.95 -1.08 0.67 -4.50 116.67 113.31 3fg1 s ASP 519 Ca 0.60 -0.77 -0.03 0.00 -0.52 0.00 0.00 52.55 51.84 3fg1 s ASP 519 Cb -0.28 0.47 0.02 0.00 -1.46 0.00 0.00 42.92 41.66 3fg1 s ASP 519 CO 0.34 -0.93 0.10 -0.31 0.52 0.00 0.00 175.17 174.89 3fg1 s TYR 520 N -3.94 -0.10 0.20 -5.34 1.51 -1.26 -0.11 117.35 108.30 3fg1 s TYR 520 Ca 0.15 0.28 -0.08 0.00 -1.01 0.00 0.00 57.07 56.41 3fg1 s TYR 520 Cb 0.02 -0.02 0.11 0.00 -0.11 0.00 0.00 41.96 41.96 3fg1 s TYR 520 CO -0.01 -0.08 1.66 0.28 -1.11 0.00 0.00 175.55 176.29 3fg1 h VAL 521 N 5.40 1.26 -2.44 0.71 2.07 -1.88 -3.48 116.25 117.89 3fg1 h VAL 521 Ca -0.31 -1.15 0.17 0.00 0.82 0.00 0.00 66.70 66.23 3fg1 h VAL 521 Cb 1.18 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3fg1 h VAL 521 CO 0.45 0.41 0.58 -0.94 0.02 0.00 0.00 177.57 178.09 3fg1 s SER 522 N -6.60 -0.04 0.57 0.57 1.04 -1.26 -5.01 113.70 102.98 3fg1 s SER 522 Ca -0.11 -0.59 0.37 0.00 0.48 0.00 0.00 55.95 56.10 3fg1 s SER 522 Cb 0.14 0.48 1.85 0.00 0.10 0.00 0.00 66.02 68.59 3fg1 s SER 522 CO 0.85 -0.94 2.13 0.44 0.98 0.00 0.00 173.24 176.70 3fg1 h ASP 523 N 2.00 0.00 -0.45 7.02 3.32 -2.02 -3.00 116.42 123.30 3fg1 h ASP 523 Ca -0.27 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.64 3fg1 h ASP 523 Cb 1.22 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.69 3fg1 h ASP 523 CO 0.33 0.00 0.08 0.47 -1.72 0.00 0.00 179.24 178.40 3fg1 n ASP 524 N -2.96 3.68 -4.17 6.45 8.00 -1.26 -4.79 116.55 121.50 3fg1 n ASP 524 Ca -0.01 -3.34 -0.20 0.00 0.71 0.00 0.00 54.79 51.95 3fg1 n ASP 524 Cb 0.16 -0.64 -0.13 0.00 -0.02 0.00 0.00 41.12 40.49 3fg1 n ASP 524 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3fg1 s MET 525 N -3.03 0.93 0.58 -1.24 -1.94 -1.13 -4.41 119.30 109.05 3fg1 s MET 525 Ca 0.47 -0.86 -0.20 0.00 -1.71 0.00 0.00 55.69 53.39 3fg1 s MET 525 Cb 0.39 -0.96 -0.04 0.00 2.01 0.00 0.00 34.83 36.24 3fg1 s MET 525 CO 0.07 0.23 1.28 -1.25 -0.01 0.00 0.00 175.02 175.34 3fg1 s PRO 526 N -1.40 2.98 0.38 2.03 0.04 -1.26 -4.79 135.00 132.97 3fg1 s PRO 526 Ca 0.01 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.81 3fg1 s PRO 526 Cb -0.09 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 3fg1 s PRO 526 CO 0.02 -1.26 1.46 0.41 0.04 0.00 0.00 177.00 177.67 3fg1 n GLY 527 N 0.70 1.11 3.59 0.56 0.00 0.95 -4.72 105.19 107.38 3fg1 n GLY 527 Ca 0.13 0.30 -0.27 0.00 0.00 0.00 0.00 46.02 46.18 3fg1 n GLY 527 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fg1 s ASN 528 N -0.17 3.46 0.25 1.61 4.22 0.84 -3.70 114.94 121.45 3fg1 s ASN 528 Ca 0.54 -1.44 -0.30 0.00 -2.14 0.00 0.00 52.86 49.53 3fg1 s ASN 528 Cb -0.49 -0.11 -0.09 0.00 1.28 0.00 0.00 41.25 41.84 3fg1 s ASN 528 CO 0.63 -0.59 1.21 -0.51 -2.04 0.00 0.00 177.10 175.81 3fg1 s ILE 529 N -2.92 3.27 -0.29 0.54 2.07 -1.26 -0.24 121.20 122.37 3fg1 s ILE 529 Ca 0.30 1.17 -0.29 0.00 -1.41 0.00 0.00 60.65 60.42 3fg1 s ILE 529 Cb 0.08 -3.75 0.00 0.00 0.13 0.00 0.00 42.46 38.92 3fg1 s ILE 529 CO 0.15 0.24 1.23 -0.75 -1.91 0.00 0.00 174.94 173.90 3fg1 s LYS 530 N -0.96 3.99 -0.29 3.50 2.20 0.23 -4.67 119.74 123.74 3fg1 s LYS 530 Ca 0.50 1.24 -0.16 0.00 -0.36 0.00 0.00 55.97 57.20 3fg1 s LYS 530 Cb -0.35 -3.83 0.14 0.00 -1.51 0.00 0.00 37.83 32.29 3fg1 s LYS 530 CO 0.42 -1.02 0.94 0.00 -0.36 0.00 0.00 175.35 175.33 3fg1 s ALA 531 N 4.08 -2.32 0.02 3.13 0.00 -1.26 -4.76 121.76 120.65 3fg1 s ALA 531 Ca 0.53 2.20 -0.25 0.00 0.00 0.00 0.00 51.96 54.44 3fg1 s ALA 531 Cb -0.16 -1.76 -0.18 0.00 0.00 0.00 0.00 23.12 21.03 3fg1 s ALA 531 CO 0.20 -0.50 1.35 0.87 0.00 0.00 0.00 175.76 177.69 3fg1 h LYS 532 N 6.52 -0.19 -4.88 0.00 1.57 -1.93 -3.46 116.57 114.19 3fg1 h LYS 532 Ca -0.25 0.01 -0.38 0.00 -1.87 0.00 0.00 60.65 58.16 3fg1 h LYS 532 Cb 1.18 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.39 3fg1 h LYS 532 CO 0.17 0.12 -0.59 0.95 -0.57 0.00 0.00 179.45 179.53 3fg1 s THR 533 N -4.85 0.44 0.24 -0.16 -4.23 -1.26 -5.01 115.64 100.80 3fg1 s THR 533 Ca -0.15 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.31 3fg1 s THR 533 Cb 0.03 -2.57 0.20 0.00 1.34 0.00 0.00 72.50 71.50 3fg1 s THR 533 CO 0.61 0.00 1.75 -0.74 -0.54 0.00 0.00 174.62 175.70 3fg1 h HIS 534 N 2.30 0.57 0.00 3.99 2.76 -1.90 -0.65 115.15 122.22 3fg1 h HIS 534 Ca -0.36 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.84 3fg1 h HIS 534 Cb 1.25 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.07 3fg1 h HIS 534 CO 0.73 0.14 0.00 -0.25 -1.30 0.00 0.00 177.93 177.25 3fg1 n ASP 535 N -4.94 0.00 -0.15 3.26 10.43 -1.26 -1.33 116.55 122.56 3fg1 n ASP 535 Ca 0.13 0.28 0.14 0.00 2.57 0.00 0.00 54.79 57.91 3fg1 n ASP 535 Cb 0.36 -0.40 0.60 0.00 1.84 0.00 0.00 41.12 43.52 3fg1 n ASP 535 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3fg1 n ASP 536 N -1.40 0.59 -4.81 -2.24 9.92 -0.25 -4.89 116.55 113.47 3fg1 n ASP 536 Ca 0.06 -0.72 -0.34 0.00 -0.53 0.00 0.00 54.79 53.26 3fg1 n ASP 536 Cb 0.18 -0.04 -0.07 0.00 -0.64 0.00 0.00 41.12 40.55 3fg1 n ASP 536 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3fg1 s LEU 537 N -2.40 4.02 0.36 0.64 1.43 -0.44 -4.89 118.68 117.39 3fg1 s LEU 537 Ca 0.31 1.74 -0.26 0.00 -1.03 0.00 0.00 54.13 54.88 3fg1 s LEU 537 Cb 0.20 -4.43 -0.12 0.00 0.03 0.00 0.00 46.19 41.87 3fg1 s LEU 537 CO 0.46 -0.32 1.05 -2.65 0.23 0.00 0.00 176.35 175.11 3fg1 n PRO 538 N -0.41 1.48 0.26 1.29 -0.02 -1.26 -4.78 135.00 131.56 3fg1 n PRO 538 Ca 0.06 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 3fg1 n PRO 538 Cb 0.53 -2.01 0.65 0.00 -0.02 0.00 0.00 33.50 32.65 3fg1 n PRO 538 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fg1 h ARG 539 N 1.87 0.00 -0.01 -0.52 2.43 -1.95 -1.41 114.38 114.79 3fg1 h ARG 539 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3fg1 h ARG 539 Cb 1.33 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3fg1 h ARG 539 CO 0.59 0.01 0.01 -0.44 -1.51 0.00 0.00 179.97 178.63 3fg1 h ASP 540 N 0.00 0.00 -0.08 -3.80 3.32 -1.94 -2.75 116.42 111.17 3fg1 h ASP 540 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fg1 h ASP 540 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3fg1 h ASP 540 CO 0.00 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 3fg1 n VAL 541 N -3.60 0.58 -1.56 -1.35 0.24 -0.56 -4.99 118.33 107.09 3fg1 n VAL 541 Ca -0.03 -0.79 -0.31 0.00 -2.04 0.00 0.00 64.34 61.18 3fg1 n VAL 541 Cb 0.09 0.75 0.06 0.00 -1.47 0.00 0.00 33.84 33.27 3fg1 n VAL 541 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3fg1 s GLN 542 N -0.72 2.65 0.42 7.34 -0.21 -1.04 -3.42 119.66 124.67 3fg1 s GLN 542 Ca 0.07 0.86 -0.26 0.00 0.02 0.00 0.00 55.36 56.05 3fg1 s GLN 542 Cb 0.04 -1.97 -0.10 0.00 1.00 0.00 0.00 33.01 31.99 3fg1 s GLN 542 CO 0.06 -1.28 1.25 1.19 -2.12 0.00 0.00 175.29 174.39 3fg1 n PHE 543 N -3.23 2.05 -1.06 0.91 3.72 -1.26 -4.89 117.46 113.69 3fg1 n PHE 543 Ca 0.07 0.51 -0.34 0.00 -0.05 0.00 0.00 57.45 57.65 3fg1 n PHE 543 Cb 0.54 -2.36 0.11 0.00 -0.94 0.00 0.00 39.48 36.83 3fg1 n PHE 543 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fg1 n THR 544 N -0.20 1.43 0.07 4.37 -2.24 -1.26 -4.75 114.28 111.70 3fg1 n THR 544 Ca 0.07 -0.25 0.08 0.00 -2.27 0.00 0.00 64.05 61.68 3fg1 n THR 544 Cb 0.39 -0.94 0.53 0.00 -2.10 0.00 0.00 70.33 68.21 3fg1 n THR 544 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fg1 h ASP 545 N -0.95 0.27 -0.55 3.42 5.19 -1.95 -0.34 116.42 121.51 3fg1 h ASP 545 Ca -0.45 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 3fg1 h ASP 545 Cb 1.31 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.73 3fg1 h ASP 545 CO 0.42 0.18 0.29 -0.33 -3.12 0.00 0.00 179.24 176.68 3fg1 h GLU 546 N 0.31 0.77 -0.31 3.56 3.07 -1.93 0.79 114.58 120.85 3fg1 h GLU 546 Ca 0.14 -0.10 -0.15 0.00 -0.50 0.00 0.00 59.36 58.75 3fg1 h GLU 546 Cb 0.16 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 3fg1 h GLU 546 CO -0.03 0.61 -0.41 0.87 -1.40 0.00 0.00 179.01 178.65 3fg1 h LYS 547 N 0.74 0.75 -0.64 2.33 1.57 -1.70 0.16 116.57 119.78 3fg1 h LYS 547 Ca 0.19 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 3fg1 h LYS 547 Cb 0.07 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3fg1 h LYS 547 CO -0.03 1.02 0.32 0.77 -0.57 0.00 0.00 179.45 180.96 3fg1 h SER 548 N 0.61 0.82 -0.29 0.86 0.02 -0.88 -0.70 113.55 113.99 3fg1 h SER 548 Ca 0.05 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3fg1 h SER 548 Cb 0.96 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3fg1 h SER 548 CO 0.09 0.71 0.09 -0.09 -1.14 0.00 0.00 176.83 176.49 3fg1 h ARG 549 N 0.87 0.45 -0.50 3.45 2.43 -0.70 0.11 114.38 120.50 3fg1 h ARG 549 Ca 0.22 -0.10 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 3fg1 h ARG 549 Cb 0.09 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.52 3fg1 h ARG 549 CO -0.03 0.51 0.18 1.03 -1.51 0.00 0.00 179.97 180.14 3fg1 h SER 550 N 0.31 0.18 0.36 -3.80 0.87 -0.78 0.25 113.55 110.94 3fg1 h SER 550 Ca 0.09 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3fg1 h SER 550 Cb 0.24 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3fg1 h SER 550 CO -0.00 0.13 -0.17 0.22 -0.53 0.00 0.00 176.83 176.48 3fg1 h TYR 551 N 0.36 -0.44 -0.40 2.24 3.20 -0.96 -1.17 116.97 119.79 3fg1 h TYR 551 Ca 0.24 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.14 3fg1 h TYR 551 Cb 0.25 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 3fg1 h TYR 551 CO -0.16 -0.14 0.15 1.96 -1.64 0.00 0.00 178.16 178.33 3fg1 h GLN 552 N -0.74 0.31 -0.38 1.82 4.20 -0.59 -1.79 115.11 117.95 3fg1 h GLN 552 Ca -0.05 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 3fg1 h GLN 552 Cb 0.50 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3fg1 h GLN 552 CO 0.08 0.21 -0.02 0.93 -0.67 0.00 0.00 178.83 179.36 3fg1 h GLU 553 N 0.32 0.62 -0.52 1.46 4.39 -0.52 -1.76 114.58 118.57 3fg1 h GLU 553 Ca 0.18 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 3fg1 h GLU 553 Cb 0.15 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3fg1 h GLU 553 CO -0.17 0.65 0.07 0.66 -1.16 0.00 0.00 179.01 179.06 3fg1 h SER 554 N 0.58 0.78 -0.44 1.42 4.64 -0.41 0.93 113.55 121.06 3fg1 h SER 554 Ca 0.12 -0.16 -0.08 0.00 -0.47 0.00 0.00 61.79 61.19 3fg1 h SER 554 Cb 0.39 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3fg1 h SER 554 CO 0.02 0.80 -0.05 0.03 -0.87 0.00 0.00 176.83 176.76 3fg1 h ARG 555 N 0.78 0.80 0.14 4.77 2.47 -0.83 -0.33 114.38 122.20 3fg1 h ARG 555 Ca 0.16 -0.28 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 3fg1 h ARG 555 Cb 0.37 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 3fg1 h ARG 555 CO 0.01 0.89 -0.07 0.87 0.56 0.00 0.00 179.97 182.23 3fg1 h LYS 556 N 0.64 -0.19 -0.92 0.04 1.57 -0.98 -2.20 116.57 114.53 3fg1 h LYS 556 Ca 0.12 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.00 3fg1 h LYS 556 Cb 0.56 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 3fg1 h LYS 556 CO 0.03 -0.07 0.59 0.00 -0.57 0.00 0.00 179.45 179.43 3fg1 h ALA 557 N 0.59 1.57 -0.36 3.86 0.00 -0.77 -1.41 119.26 122.75 3fg1 h ALA 557 Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3fg1 h ALA 557 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fg1 h ALA 557 CO 0.03 0.25 0.04 0.00 0.00 0.00 0.00 179.25 179.57 3fg1 h ALA 558 N 1.53 0.48 -0.88 0.00 0.00 -0.90 -0.46 119.26 119.03 3fg1 h ALA 558 Ca 0.42 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3fg1 h ALA 558 Cb 0.34 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3fg1 h ALA 558 CO -0.18 0.20 0.58 -0.07 0.00 0.00 0.00 179.25 179.79 3fg1 h LEU 559 N 0.43 1.00 -0.14 0.00 3.38 -0.96 -0.13 115.31 118.90 3fg1 h LEU 559 Ca 0.11 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3fg1 h LEU 559 Cb 0.39 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3fg1 h LEU 559 CO 0.01 0.72 0.02 0.58 0.09 0.00 0.00 178.44 179.86 3fg1 h VAL 560 N 1.18 1.22 -0.50 1.22 2.07 -1.06 -1.42 116.25 118.96 3fg1 h VAL 560 Ca 0.33 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 3fg1 h VAL 560 Cb -0.11 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3fg1 h VAL 560 CO -0.08 0.20 0.00 0.78 0.02 0.00 0.00 177.57 178.50 3fg1 h ASN 561 N 0.02 0.79 -0.40 0.57 2.35 -0.91 0.32 115.58 118.32 3fg1 h ASN 561 Ca 0.04 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 3fg1 h ASN 561 Cb 0.29 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3fg1 h ASN 561 CO 0.00 0.86 0.19 -0.07 -1.65 0.00 0.00 177.43 176.76 3fg1 h LEU 562 N 0.77 0.53 -0.34 1.61 3.38 -1.01 0.02 115.31 120.27 3fg1 h LEU 562 Ca 0.15 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3fg1 h LEU 562 Cb 0.46 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3fg1 h LEU 562 CO 0.02 0.51 -0.03 1.23 0.09 0.00 0.00 178.44 180.26 3fg1 h GLY 563 N 0.51 0.66 0.93 0.83 0.00 -0.86 0.10 103.07 105.25 3fg1 h GLY 563 Ca 0.14 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 3fg1 h GLY 563 CO -0.02 0.47 -0.01 -2.22 0.00 0.00 0.00 176.54 174.76 3fg1 h ILE 564 N 0.41 1.26 -0.58 2.60 2.04 -0.93 -2.24 117.51 120.06 3fg1 h ILE 564 Ca 0.09 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 3fg1 h ILE 564 Cb 0.50 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3fg1 h ILE 564 CO 0.02 0.34 0.18 1.23 0.00 0.00 0.00 178.15 179.92 3fg1 h GLY 565 N 0.48 0.95 1.00 5.37 0.00 -0.91 -1.33 103.07 108.63 3fg1 h GLY 565 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3fg1 h GLY 565 CO 0.02 0.50 0.27 0.23 0.00 0.00 0.00 176.54 177.56 3fg1 h SER 566 N 0.86 0.47 -0.54 0.19 0.87 -0.61 -1.18 113.55 113.60 3fg1 h SER 566 Ca 0.19 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3fg1 h SER 566 Cb 0.26 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 3fg1 h SER 566 CO -0.01 0.34 0.28 -0.07 -0.53 0.00 0.00 176.83 176.85 3fg1 h LEU 567 N 0.55 0.69 -0.62 2.23 3.38 -1.22 -0.70 115.31 119.62 3fg1 h LEU 567 Ca 0.15 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3fg1 h LEU 567 Cb -0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3fg1 h LEU 567 CO -0.03 0.60 0.18 0.15 0.09 0.00 0.00 178.44 179.43 3fg1 h PHE 568 N 0.73 1.02 -0.72 1.13 3.04 -0.86 -2.98 116.94 118.29 3fg1 h PHE 568 Ca 0.19 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 62.03 3fg1 h PHE 568 Cb 0.08 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.29 3fg1 h PHE 568 CO -0.01 0.84 0.00 0.25 -2.02 0.00 0.00 178.31 177.37 3fg1 n THR 569 N -4.36 0.96 -0.22 4.41 -2.24 -0.48 -4.72 114.28 107.63 3fg1 n THR 569 Ca 0.04 -0.97 0.02 0.00 -2.27 0.00 0.00 64.05 60.87 3fg1 n THR 569 Cb 0.23 0.53 0.14 0.00 -2.10 0.00 0.00 70.33 69.12 3fg1 n THR 569 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3fg1 h MET 570 N 4.34 0.34 -0.40 -0.78 4.05 -0.96 -1.68 114.93 119.84 3fg1 h MET 570 Ca 0.00 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.35 3fg1 h MET 570 Cb 0.99 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.68 3fg1 h MET 570 CO 0.00 0.22 0.04 1.19 0.23 0.00 0.00 176.91 178.59 3fg1 n PHE 571 N -5.07 1.39 -2.29 1.39 3.01 -1.26 -5.00 117.46 109.64 3fg1 n PHE 571 Ca 0.11 -0.99 -0.41 0.00 1.01 0.00 0.00 57.45 57.17 3fg1 n PHE 571 Cb 0.35 -0.43 -0.03 0.00 -0.01 0.00 0.00 39.48 39.36 3fg1 n PHE 571 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3fg1 s GLU 572 N -2.90 4.44 -0.39 -1.08 2.02 -0.63 -4.98 118.70 115.18 3fg1 s GLU 572 Ca 0.47 1.97 -0.25 0.00 0.02 0.00 0.00 54.97 57.18 3fg1 s GLU 572 Cb 0.38 -3.21 0.02 0.00 0.10 0.00 0.00 34.13 31.41 3fg1 s GLU 572 CO 0.10 -0.17 0.87 0.54 0.02 0.00 0.00 175.26 176.62 3fg1 s ASN 573 N 0.23 6.59 -0.56 -0.19 2.20 -1.26 -4.97 114.94 116.98 3fg1 s ASN 573 Ca 0.55 0.38 -0.28 0.00 -0.94 0.00 0.00 52.86 52.57 3fg1 s ASN 573 Cb -0.35 -2.44 0.03 0.00 -2.00 0.00 0.00 41.25 36.50 3fg1 s ASN 573 CO 0.38 -0.86 1.15 0.86 -2.94 0.00 0.00 177.10 175.68 3fg1 s TRP 574 N 3.41 2.66 0.00 1.54 -0.00 -1.26 -4.76 118.94 120.53 3fg1 s TRP 574 Ca 0.35 0.40 0.00 0.00 -0.00 0.00 0.00 56.10 56.85 3fg1 s TRP 574 Cb -0.12 -4.44 0.00 0.00 -0.00 0.00 0.00 33.47 28.91 3fg1 s TRP 574 CO 0.20 -1.51 0.00 -3.47 -0.00 0.00 0.00 176.95 172.17 3fg1 n ASP 575 N 8.22 4.35 -3.52 5.86 2.03 -1.26 -5.02 116.55 127.22 3fg1 n ASP 575 Ca 0.08 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.28 3fg1 n ASP 575 Cb 0.49 0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 41.49 3fg1 n ASP 575 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3fg1 s SER 576 N -2.29 -0.41 0.29 1.67 1.04 -1.26 -4.98 113.70 107.76 3fg1 s SER 576 Ca 0.00 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.30 3fg1 s SER 576 Cb 0.00 0.54 0.53 0.00 0.10 0.00 0.00 66.02 67.19 3fg1 s SER 576 CO 0.00 -0.91 1.86 1.88 0.98 0.00 0.00 173.24 177.05 3fg1 h TYR 577 N 2.20 1.13 0.00 5.02 0.99 -1.97 -2.65 116.97 121.68 3fg1 h TYR 577 Ca -0.34 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.42 3fg1 h TYR 577 Cb 1.28 -0.36 0.00 0.00 1.00 0.00 0.00 36.73 38.65 3fg1 h TYR 577 CO 0.28 0.50 0.00 -0.44 -0.00 0.00 0.00 178.16 178.50 3fg1 h ASP 578 N 1.03 0.00 -0.61 3.88 3.32 -2.01 -2.15 116.42 119.86 3fg1 h ASP 578 Ca 0.46 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.64 3fg1 h ASP 578 Cb 0.39 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 3fg1 h ASP 578 CO -0.22 0.00 0.42 0.44 -1.72 0.00 0.00 179.24 178.15 3fg1 h ASP 579 N 0.00 0.29 0.64 6.45 3.45 -1.88 -1.93 116.42 123.43 3fg1 h ASP 579 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3fg1 h ASP 579 Cb 0.24 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3fg1 h ASP 579 CO 0.00 0.16 0.00 1.88 -1.57 0.00 0.00 179.24 179.71 3fg1 h TYR 580 N 0.31 0.00 0.00 4.55 -1.99 -1.57 -2.96 116.97 115.31 3fg1 h TYR 580 Ca 0.29 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.99 3fg1 h TYR 580 Cb 0.72 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.44 3fg1 h TYR 580 CO -0.00 0.00 -0.16 0.45 -0.00 0.00 0.00 178.16 178.45 3fg1 h HIS 581 N 0.00 0.00 -0.26 4.88 3.86 -1.54 -1.68 115.15 120.41 3fg1 h HIS 581 Ca 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3fg1 h HIS 581 Cb 0.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3fg1 h HIS 581 CO 0.00 0.16 0.18 0.97 0.86 0.00 0.00 177.93 180.10 3fg1 h ILE 582 N 0.00 0.98 0.00 2.45 6.09 -1.71 -3.11 117.51 122.21 3fg1 h ILE 582 Ca -0.00 -0.07 -0.01 0.00 -1.37 0.00 0.00 64.86 63.40 3fg1 h ILE 582 Cb 0.39 0.75 -0.00 0.00 0.47 0.00 0.00 36.82 38.43 3fg1 h ILE 582 CO 0.02 0.04 -0.06 -0.07 -3.07 0.00 0.00 178.15 175.01 3fg1 h LEU 583 N 0.21 0.00 -1.75 2.19 3.38 -1.52 -2.04 115.31 115.78 3fg1 h LEU 583 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3fg1 h LEU 583 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3fg1 h LEU 583 CO -0.02 0.06 -0.06 0.00 0.09 0.00 0.00 178.44 178.51 3fg1 n TYR 584 N -3.16 0.00 -0.07 1.13 0.18 -1.17 -4.62 117.16 109.44 3fg1 n TYR 584 Ca 0.01 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.69 3fg1 n TYR 584 Cb 0.39 -0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.39 3fg1 n TYR 584 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3fg1 h ARG 585 N 4.28 0.78 -0.85 -3.48 2.43 -1.46 -2.94 114.38 113.14 3fg1 h ARG 585 Ca 0.00 -0.40 -0.20 0.00 -0.81 0.00 0.00 59.98 58.57 3fg1 h ARG 585 Cb 0.94 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.38 3fg1 h ARG 585 CO 0.00 1.03 0.25 0.27 -1.51 0.00 0.00 179.97 180.01 3fg1 n ASN 586 N -4.05 4.01 -4.35 -3.80 6.94 -1.26 -4.90 115.26 107.85 3fg1 n ASN 586 Ca -0.02 -2.94 -0.31 0.00 -0.02 0.00 0.00 54.58 51.29 3fg1 n ASN 586 Cb 0.53 -0.70 -0.15 0.00 -2.36 0.00 0.00 39.78 37.10 3fg1 n ASN 586 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3fg1 s TRP 587 N -2.36 2.36 -0.57 -2.53 0.52 -1.11 -4.90 118.94 110.35 3fg1 s TRP 587 Ca 0.41 -0.40 -0.22 0.00 0.02 0.00 0.00 56.10 55.91 3fg1 s TRP 587 Cb 0.33 -1.44 0.05 0.00 -1.15 0.00 0.00 33.47 31.27 3fg1 s TRP 587 CO 0.10 0.09 0.86 0.42 0.02 0.00 0.00 176.95 178.44 3fg1 s ILE 588 N -0.76 4.52 -0.14 2.03 -1.09 -1.26 -4.83 121.20 119.67 3fg1 s ILE 588 Ca 0.12 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.44 3fg1 s ILE 588 Cb -0.10 -4.51 -0.01 0.00 -1.58 0.00 0.00 42.46 36.26 3fg1 s ILE 588 CO 0.01 -1.11 0.21 0.18 -1.23 0.00 0.00 174.94 173.00 3fg1 n LEU 589 N 7.14 0.38 0.00 2.97 4.77 -1.26 -4.98 117.00 126.02 3fg1 n LEU 589 Ca -0.02 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3fg1 n LEU 589 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3fg1 n LEU 589 CO 0.61 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3fg1 n GLY 590 N 0.80 0.75 0.00 -0.72 0.00 -1.26 -4.98 105.19 99.78 3fg1 n GLY 590 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3fg1 n GLY 590 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 591 N -2.43 3.99 3.66 -0.02 0.00 -1.26 -5.06 105.19 104.06 3fg1 n GLY 591 Ca 0.00 -1.60 -0.45 0.00 0.00 0.00 0.00 46.02 43.97 3fg1 n GLY 591 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fg1 n THR 592 N -1.54 1.03 -1.59 2.61 -1.04 -1.26 -4.87 114.28 107.62 3fg1 n THR 592 Ca 0.00 -0.26 -0.51 0.00 -2.04 0.00 0.00 64.05 61.24 3fg1 n THR 592 Cb 0.00 -1.40 -0.06 0.00 -1.82 0.00 0.00 70.33 67.06 3fg1 n THR 592 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3fg1 n PRO 593 N 1.89 1.19 0.00 -2.82 -0.02 -1.26 -4.82 135.00 129.15 3fg1 n PRO 593 Ca 0.12 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 62.11 3fg1 n PRO 593 Cb 0.31 -2.06 0.42 0.00 -0.02 0.00 0.00 33.50 32.15 3fg1 n PRO 593 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3fg1 n ASN 594 N 2.50 0.00 -0.71 2.55 2.04 -1.26 -1.36 115.26 119.02 3fg1 n ASN 594 Ca 0.18 0.38 0.12 0.00 -0.44 0.00 0.00 54.58 54.82 3fg1 n ASN 594 Cb 0.20 -0.45 0.20 0.00 -2.53 0.00 0.00 39.78 37.21 3fg1 n ASN 594 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 3fg1 n MET 595 N -1.45 1.85 -0.35 -3.83 2.81 -1.26 -4.58 117.12 110.32 3fg1 n MET 595 Ca 0.06 -1.42 0.09 0.00 -1.81 0.00 0.00 57.70 54.61 3fg1 n MET 595 Cb 0.20 -1.47 0.27 0.00 -0.71 0.00 0.00 33.22 31.51 3fg1 n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fg1 h ALA 596 N 4.39 1.59 -0.01 3.04 0.00 -1.52 0.04 119.26 126.81 3fg1 h ALA 596 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fg1 h ALA 596 Cb 0.80 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3fg1 h ALA 596 CO 0.00 0.14 -0.08 -0.40 0.00 0.00 0.00 179.25 178.91 3fg1 n ASP 597 N -4.62 1.32 0.00 0.00 3.85 -1.26 -4.41 116.55 111.43 3fg1 n ASP 597 Ca 0.19 -1.28 0.00 0.00 -0.71 0.00 0.00 54.79 52.99 3fg1 n ASP 597 Cb 0.40 0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 3fg1 n ASP 597 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 3fg1 n ARG 598 N -0.12 0.00 -0.25 0.11 1.85 -0.90 -4.90 116.66 112.45 3fg1 n ARG 598 Ca 0.17 -0.09 0.28 0.00 -1.00 0.00 0.00 57.85 57.21 3fg1 n ARG 598 Cb 0.35 -0.36 0.66 0.00 -1.05 0.00 0.00 32.46 32.06 3fg1 n ARG 598 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 3fg1 h TRP 599 N 0.00 0.20 -0.00 2.89 5.08 -1.21 -1.59 115.95 121.31 3fg1 h TRP 599 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3fg1 h TRP 599 Cb 0.62 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.72 3fg1 h TRP 599 CO 0.00 0.03 -0.23 -2.39 -1.28 0.00 0.00 178.44 174.58 3fg1 n HIS 600 N -4.35 0.00 -3.02 0.12 1.44 -1.26 -4.43 115.22 103.72 3fg1 n HIS 600 Ca 0.22 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.53 3fg1 n HIS 600 Cb 0.98 -0.28 -0.05 0.00 0.12 0.00 0.00 29.99 30.76 3fg1 n HIS 600 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3fg1 s GLU 601 N -2.79 4.45 0.27 -1.40 2.02 -0.60 -4.97 118.70 115.68 3fg1 s GLU 601 Ca 0.19 0.93 -0.01 0.00 0.02 0.00 0.00 54.97 56.10 3fg1 s GLU 601 Cb 0.19 -3.44 0.48 0.00 0.10 0.00 0.00 34.13 31.46 3fg1 s GLU 601 CO 0.57 0.08 1.83 -0.44 0.02 0.00 0.00 175.26 177.32 3fg1 h ASP 602 N 6.65 0.86 -0.57 -0.19 3.32 -1.88 0.58 116.42 125.19 3fg1 h ASP 602 Ca -0.41 0.04 0.09 0.00 0.02 0.00 0.00 57.03 56.77 3fg1 h ASP 602 Cb 1.20 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.55 3fg1 h ASP 602 CO 0.75 0.48 0.17 -0.09 -1.72 0.00 0.00 179.24 178.82 3fg1 h ARG 603 N 0.95 0.31 0.00 3.56 2.43 -1.93 -0.89 114.38 118.81 3fg1 h ARG 603 Ca 0.45 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.50 3fg1 h ARG 603 Cb 0.40 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3fg1 h ARG 603 CO -0.25 0.21 -0.62 -1.49 -1.51 0.00 0.00 179.97 176.31 3fg1 h TRP 604 N 0.32 0.00 -0.01 2.20 4.06 -1.57 -0.60 115.95 120.36 3fg1 h TRP 604 Ca 0.29 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.24 3fg1 h TRP 604 Cb 0.38 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3fg1 h TRP 604 CO -0.20 0.47 0.00 0.35 -3.56 0.00 0.00 178.44 175.50 3fg1 h PHE 605 N 0.00 0.01 -0.58 0.49 3.57 -0.50 -3.12 116.94 116.80 3fg1 h PHE 605 Ca -0.03 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 3fg1 h PHE 605 Cb 1.38 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.09 3fg1 h PHE 605 CO 0.00 0.05 0.28 0.78 -2.23 0.00 0.00 178.31 177.18 3fg1 h GLY 606 N -0.03 0.90 -0.01 2.40 0.00 -1.07 -3.03 103.07 102.23 3fg1 h GLY 606 Ca 0.00 -0.45 0.23 0.00 0.00 0.00 0.00 47.33 47.11 3fg1 h GLY 606 CO -0.00 0.43 0.62 -1.82 0.00 0.00 0.00 176.54 175.77 3fg1 h TYR 607 N 0.79 0.90 0.00 5.60 3.20 -1.08 -0.77 116.97 125.60 3fg1 h TYR 607 Ca 0.20 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3fg1 h TYR 607 Cb 0.12 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.13 3fg1 h TYR 607 CO -0.00 0.13 0.00 1.04 -1.64 0.00 0.00 178.16 177.69 3fg1 n GLN 608 N -4.74 0.13 0.10 1.82 6.02 -1.14 -1.48 117.38 118.08 3fg1 n GLN 608 Ca 0.25 0.25 0.12 0.00 -0.01 0.00 0.00 57.00 57.60 3fg1 n GLN 608 Cb 0.72 -1.69 0.45 0.00 1.02 0.00 0.00 30.24 30.74 3fg1 n GLN 608 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3fg1 n PHE 609 N -1.92 0.77 -0.12 1.08 3.01 -0.30 -1.27 117.46 118.71 3fg1 n PHE 609 Ca 0.04 0.26 -0.21 0.00 1.01 0.00 0.00 57.45 58.56 3fg1 n PHE 609 Cb 0.29 -0.92 -0.11 0.00 -0.01 0.00 0.00 39.48 38.73 3fg1 n PHE 609 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3fg1 n LEU 610 N -2.16 2.58 -0.03 4.37 4.77 -0.73 -4.47 117.00 121.33 3fg1 n LEU 610 Ca 0.04 0.02 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 3fg1 n LEU 610 Cb 0.33 -0.82 0.02 0.00 -2.33 0.00 0.00 43.42 40.62 3fg1 n LEU 610 CO 0.25 0.78 0.46 0.59 -1.33 0.00 0.00 177.39 178.14 3fg1 n ASN 611 N -3.54 1.66 -0.60 -1.43 3.02 -0.55 -4.33 115.26 109.49 3fg1 n ASN 611 Ca -0.46 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.06 3fg1 n ASN 611 Cb 0.92 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 3fg1 n ASN 611 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fg1 n GLY 612 N -0.56 1.56 0.22 7.41 0.00 -0.40 -4.94 105.19 108.48 3fg1 n GLY 612 Ca 0.03 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.30 3fg1 n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg1 h ALA 613 N -1.20 1.00 -1.90 4.61 0.00 -1.82 -3.35 119.26 116.60 3fg1 h ALA 613 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3fg1 h ALA 613 Cb 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.38 3fg1 h ALA 613 CO 0.00 0.00 -0.82 -1.71 0.00 0.00 0.00 179.25 176.72 3fg1 n ASN 614 N -2.94 3.63 -1.11 0.00 4.05 -1.26 -4.38 115.26 113.26 3fg1 n ASN 614 Ca 0.03 -3.49 0.00 0.00 0.45 0.00 0.00 54.58 51.57 3fg1 n ASN 614 Cb 0.43 -0.54 0.00 0.00 1.23 0.00 0.00 39.78 40.90 3fg1 n ASN 614 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3fg1 n PRO 615 N -0.20 0.92 0.00 1.20 -0.04 -1.26 -4.09 135.00 131.53 3fg1 n PRO 615 Ca 0.30 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.78 3fg1 n PRO 615 Cb 0.55 -1.04 -0.01 0.00 -0.04 0.00 0.00 33.50 32.97 3fg1 n PRO 615 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3fg1 n VAL 616 N 0.74 0.00 -0.05 0.52 0.24 -1.26 -4.75 118.33 113.78 3fg1 n VAL 616 Ca 0.00 -0.44 -0.03 0.00 -2.04 0.00 0.00 64.34 61.82 3fg1 n VAL 616 Cb 0.46 1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 33.77 3fg1 n VAL 616 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fg1 n ILE 617 N -0.58 0.63 -1.70 1.34 3.06 -1.26 -4.99 119.36 115.86 3fg1 n ILE 617 Ca 0.01 -0.45 -0.43 0.00 -2.50 0.00 0.00 62.75 59.38 3fg1 n ILE 617 Cb 0.08 -0.52 -0.02 0.00 0.54 0.00 0.00 39.64 39.72 3fg1 n ILE 617 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3fg1 n LEU 618 N -2.33 3.60 -4.17 9.51 7.94 -1.26 -4.75 117.00 125.54 3fg1 n LEU 618 Ca -0.15 1.16 -0.13 0.00 -1.11 0.00 0.00 56.01 55.77 3fg1 n LEU 618 Cb 0.77 -1.49 -0.11 0.00 0.53 0.00 0.00 43.42 43.12 3fg1 n LEU 618 CO 0.25 -0.29 -0.41 0.42 -1.11 0.00 0.00 177.39 176.25 3fg1 s THR 619 N -0.27 0.88 0.28 1.96 -4.23 -0.19 -4.89 115.64 109.18 3fg1 s THR 619 Ca 0.64 -1.71 -0.29 0.00 -1.18 0.00 0.00 61.69 59.15 3fg1 s THR 619 Cb -0.59 -1.42 -0.10 0.00 1.34 0.00 0.00 72.50 71.73 3fg1 s THR 619 CO 0.52 -0.64 1.39 -0.60 -0.54 0.00 0.00 174.62 174.76 3fg1 s ARG 620 N -3.03 4.29 -0.39 3.99 3.52 0.20 -0.55 118.95 126.98 3fg1 s ARG 620 Ca 0.07 2.28 -0.14 0.00 -0.13 0.00 0.00 55.73 57.81 3fg1 s ARG 620 Cb -0.01 -3.09 0.02 0.00 -1.56 0.00 0.00 34.95 30.30 3fg1 s ARG 620 CO -0.01 -0.35 0.27 0.00 -0.81 0.00 0.00 175.30 174.40 3fg1 n ASP 622 N 5.11 1.93 -3.64 0.00 8.00 -1.26 -4.72 116.55 121.98 3fg1 n ASP 622 Ca -0.11 -1.45 -0.09 0.00 0.71 0.00 0.00 54.79 53.85 3fg1 n ASP 622 Cb 0.47 0.35 -0.07 0.00 -0.02 0.00 0.00 41.12 41.85 3fg1 n ASP 622 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fg1 s ALA 623 N -2.42 -1.99 0.33 2.24 0.00 -1.26 -4.90 121.76 113.76 3fg1 s ALA 623 Ca 0.21 1.85 -0.29 0.00 0.00 0.00 0.00 51.96 53.74 3fg1 s ALA 623 Cb 0.19 -1.46 -0.11 0.00 0.00 0.00 0.00 23.12 21.74 3fg1 s ALA 623 CO 0.53 -0.22 1.40 -0.51 0.00 0.00 0.00 175.76 176.95 3fg1 s LEU 624 N 0.18 4.38 0.56 0.00 2.01 -1.26 -4.97 118.68 119.58 3fg1 s LEU 624 Ca 0.03 2.82 -0.21 0.00 0.01 0.00 0.00 54.13 56.79 3fg1 s LEU 624 Cb -0.05 -3.65 -0.05 0.00 0.01 0.00 0.00 46.19 42.45 3fg1 s LEU 624 CO -0.07 -0.69 1.21 -2.65 1.01 0.00 0.00 176.35 175.15 3fg1 n PRO 625 N 0.99 1.37 0.19 1.29 -0.02 -1.26 -4.89 135.00 132.67 3fg1 n PRO 625 Ca 0.02 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 62.07 3fg1 n PRO 625 Cb 0.40 -2.40 0.57 0.00 -0.02 0.00 0.00 33.50 32.06 3fg1 n PRO 625 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fg1 h SER 626 N 1.08 0.12 -0.32 2.55 4.64 -2.02 -1.61 113.55 118.00 3fg1 h SER 626 Ca -0.49 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3fg1 h SER 626 Cb 1.33 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3fg1 h SER 626 CO 0.55 0.11 0.00 -0.46 -0.87 0.00 0.00 176.83 176.16 3fg1 n ASN 627 N -4.50 1.74 -3.46 4.97 2.04 -1.26 -4.44 115.26 110.35 3fg1 n ASN 627 Ca -0.01 -2.00 -0.27 0.00 -0.44 0.00 0.00 54.58 51.85 3fg1 n ASN 627 Cb 0.10 -0.22 -0.10 0.00 -2.53 0.00 0.00 39.78 37.03 3fg1 n ASN 627 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 3fg1 n PHE 628 N 0.44 0.25 -1.58 -2.53 7.35 -0.60 -4.09 117.46 116.70 3fg1 n PHE 628 Ca 0.11 -3.59 -0.39 0.00 -0.76 0.00 0.00 57.45 52.81 3fg1 n PHE 628 Cb 0.28 -0.06 -0.02 0.00 0.35 0.00 0.00 39.48 40.02 3fg1 n PHE 628 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3fg1 n PRO 629 N 2.30 4.05 -2.57 -7.13 -0.04 -1.26 -4.54 135.00 125.80 3fg1 n PRO 629 Ca 0.26 -2.69 -0.41 0.00 -0.04 0.00 0.00 63.50 60.62 3fg1 n PRO 629 Cb 0.46 -2.73 -0.04 0.00 -0.04 0.00 0.00 33.50 31.15 3fg1 n PRO 629 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fg1 s VAL 630 N 0.83 4.16 0.37 0.52 1.01 -1.26 -5.04 120.40 120.99 3fg1 s VAL 630 Ca 0.64 1.75 0.08 0.00 0.00 0.00 0.00 61.98 64.45 3fg1 s VAL 630 Cb 0.18 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 3fg1 s VAL 630 CO -0.07 0.25 0.07 0.42 0.00 0.00 0.00 175.10 175.77 3fg1 s THR 631 N 0.15 2.44 0.33 3.92 -4.23 -1.26 -5.02 115.64 111.97 3fg1 s THR 631 Ca 0.50 -1.88 0.08 0.00 -1.18 0.00 0.00 61.69 59.22 3fg1 s THR 631 Cb -0.27 -2.90 0.32 0.00 1.34 0.00 0.00 72.50 70.99 3fg1 s THR 631 CO 0.32 -0.10 1.82 -1.13 -0.54 0.00 0.00 174.62 174.98 3fg1 h ASN 632 N 1.67 0.72 -0.78 3.99 -1.24 -1.98 -1.63 115.58 116.33 3fg1 h ASN 632 Ca -0.43 0.07 0.06 0.00 0.71 0.00 0.00 56.30 56.71 3fg1 h ASN 632 Cb 1.25 -0.07 -0.05 0.00 0.73 0.00 0.00 38.32 40.18 3fg1 h ASN 632 CO 0.70 0.31 0.51 -0.33 -1.29 0.00 0.00 177.43 177.33 3fg1 h GLU 633 N 0.73 0.83 -0.43 6.67 3.07 -2.00 0.14 114.58 123.60 3fg1 h GLU 633 Ca 0.52 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 59.23 3fg1 h GLU 633 Cb 0.85 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 3fg1 h GLU 633 CO -0.29 0.55 -0.15 0.45 -1.40 0.00 0.00 179.01 178.17 3fg1 h HIS 634 N 0.86 0.89 -0.00 4.33 3.86 -1.69 -3.37 115.15 120.02 3fg1 h HIS 634 Ca 0.33 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3fg1 h HIS 634 Cb 0.22 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3fg1 h HIS 634 CO -0.00 0.89 -0.04 1.33 0.86 0.00 0.00 177.93 180.98 3fg1 n VAL 635 N -4.14 0.00 -0.25 2.45 0.24 -0.97 -4.71 118.33 110.95 3fg1 n VAL 635 Ca 0.01 -0.48 0.11 0.00 -2.04 0.00 0.00 64.34 61.94 3fg1 n VAL 635 Cb 0.39 1.06 0.38 0.00 -1.47 0.00 0.00 33.84 34.20 3fg1 n VAL 635 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 3fg1 h ASN 636 N 0.53 0.65 0.04 -1.34 -1.24 -0.89 0.02 115.58 113.36 3fg1 h ASN 636 Ca 0.00 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 3fg1 h ASN 636 Cb 0.13 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.08 3fg1 h ASN 636 CO 0.00 0.35 -0.00 0.00 -1.29 0.00 0.00 177.43 176.49 3fg1 h ALA 637 N 1.60 1.00 0.00 1.57 0.00 -1.85 -2.54 119.26 119.05 3fg1 h ALA 637 Ca 0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 3fg1 h ALA 637 Cb 0.64 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3fg1 h ALA 637 CO -0.18 0.00 -1.21 0.43 0.00 0.00 0.00 179.25 178.28 3fg1 n SER 638 N -3.09 0.68 -4.78 0.00 7.64 -0.01 -4.93 113.62 109.13 3fg1 n SER 638 Ca -0.03 0.27 -0.36 0.00 1.01 0.00 0.00 58.87 59.75 3fg1 n SER 638 Cb 0.08 0.74 -0.04 0.00 -1.01 0.00 0.00 64.21 63.98 3fg1 n SER 638 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fg1 s LEU 639 N -5.21 4.15 0.00 -3.43 1.43 -0.96 -4.96 118.68 109.70 3fg1 s LEU 639 Ca -0.02 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 3fg1 s LEU 639 Cb 0.10 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 42.14 3fg1 s LEU 639 CO 0.81 -0.45 0.77 -0.90 0.23 0.00 0.00 176.35 176.82 3fg1 n ASP 640 N -0.05 0.00 -0.59 2.29 5.68 -1.26 -4.86 116.55 117.77 3fg1 n ASP 640 Ca 0.05 -1.57 0.05 0.00 -0.50 0.00 0.00 54.79 52.83 3fg1 n ASP 640 Cb 0.50 -0.11 0.13 0.00 -1.14 0.00 0.00 41.12 40.50 3fg1 n ASP 640 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3fg1 n ARG 641 N 0.00 2.61 -0.51 0.11 1.74 -1.26 -4.65 116.66 114.69 3fg1 n ARG 641 Ca 0.00 -1.92 0.00 0.00 -0.77 0.00 0.00 57.85 55.16 3fg1 n ARG 641 Cb 0.61 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 3fg1 n ARG 641 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fg1 n GLY 642 N 0.48 0.75 3.36 -0.13 0.00 -1.26 -5.07 105.19 103.32 3fg1 n GLY 642 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3fg1 n GLY 642 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fg1 s LYS 643 N -0.49 1.35 0.80 1.61 1.02 -1.26 -5.15 119.74 117.61 3fg1 s LYS 643 Ca 0.00 -1.48 -0.08 0.00 0.02 0.00 0.00 55.97 54.43 3fg1 s LYS 643 Cb 0.00 -1.41 0.13 0.00 -0.52 0.00 0.00 37.83 36.02 3fg1 s LYS 643 CO 0.00 0.28 1.12 -0.80 -0.92 0.00 0.00 175.35 175.03 3fg1 s ASN 644 N -2.83 4.10 0.20 2.83 0.01 -1.26 -4.79 114.94 113.20 3fg1 s ASN 644 Ca 0.19 0.18 -0.11 0.00 -0.71 0.00 0.00 52.86 52.40 3fg1 s ASN 644 Cb -0.05 -0.54 0.20 0.00 0.41 0.00 0.00 41.25 41.27 3fg1 s ASN 644 CO 0.08 -2.07 1.78 0.25 -1.51 0.00 0.00 177.10 175.63 3fg1 h LEU 645 N -0.95 0.37 -0.76 0.60 5.85 -1.95 -1.22 115.31 117.25 3fg1 h LEU 645 Ca -0.42 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.39 3fg1 h LEU 645 Cb 1.28 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 3fg1 h LEU 645 CO 0.47 0.24 0.46 -2.24 -0.34 0.00 0.00 178.44 177.03 3fg1 h ASP 646 N 0.51 0.73 -0.04 1.25 2.03 -1.99 -0.49 116.42 118.41 3fg1 h ASP 646 Ca 0.27 0.01 -0.17 0.00 -0.73 0.00 0.00 57.03 56.41 3fg1 h ASP 646 Cb 0.22 -0.14 -0.00 0.00 -0.83 0.00 0.00 39.33 38.58 3fg1 h ASP 646 CO -0.21 0.48 -0.56 -0.33 -1.03 0.00 0.00 179.24 177.60 3fg1 h GLU 647 N 0.86 0.63 -0.34 4.15 5.08 -1.79 -2.50 114.58 120.68 3fg1 h GLU 647 Ca 0.32 -0.40 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 3fg1 h GLU 647 Cb 0.12 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3fg1 h GLU 647 CO -0.15 1.02 -0.21 0.93 -1.00 0.00 0.00 179.01 179.60 3fg1 h GLU 648 N 0.48 0.65 -0.04 2.33 4.39 -0.63 0.16 114.58 121.92 3fg1 h GLU 648 Ca 0.01 -0.24 0.02 0.00 0.34 0.00 0.00 59.36 59.49 3fg1 h GLU 648 Cb 1.12 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 3fg1 h GLU 648 CO 0.11 0.81 -0.11 0.82 -1.16 0.00 0.00 179.01 179.48 3fg1 h ILE 649 N 0.57 0.71 -0.16 3.13 2.04 -1.00 -1.94 117.51 120.86 3fg1 h ILE 649 Ca 0.09 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3fg1 h ILE 649 Cb 0.67 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3fg1 h ILE 649 CO 0.05 0.00 0.01 0.11 0.00 0.00 0.00 178.15 178.32 3fg1 h LYS 650 N -0.18 0.23 0.00 2.37 6.56 -1.19 -2.41 116.57 121.95 3fg1 h LYS 650 Ca 0.05 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 3fg1 h LYS 650 Cb 0.25 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 3fg1 h LYS 650 CO -0.14 0.25 0.00 -0.25 -2.06 0.00 0.00 179.45 177.25 3fg1 n ASP 651 N -4.41 0.00 0.00 0.86 10.43 0.02 -4.91 116.55 118.55 3fg1 n ASP 651 Ca -0.01 0.37 0.00 0.00 2.57 0.00 0.00 54.79 57.72 3fg1 n ASP 651 Cb 0.16 -0.46 0.00 0.00 1.84 0.00 0.00 41.12 42.66 3fg1 n ASP 651 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fg1 n GLY 652 N 1.34 0.60 0.55 0.44 0.00 -0.85 -4.94 105.19 102.33 3fg1 n GLY 652 Ca 0.08 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.37 3fg1 n GLY 652 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fg1 n HIS 653 N -3.32 0.25 -4.51 1.61 8.25 -0.79 -4.66 115.22 112.04 3fg1 n HIS 653 Ca 0.00 -0.27 -0.33 0.00 -0.26 0.00 0.00 57.72 56.86 3fg1 n HIS 653 Cb 0.30 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.26 3fg1 n HIS 653 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fg1 s ILE 654 N -0.96 3.31 0.19 1.59 -1.09 -1.25 -0.71 121.20 122.28 3fg1 s ILE 654 Ca 0.18 -0.56 0.07 0.00 -2.23 0.00 0.00 60.65 58.12 3fg1 s ILE 654 Cb 0.11 -2.43 -0.05 0.00 -1.58 0.00 0.00 42.46 38.51 3fg1 s ILE 654 CO 0.15 0.50 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.91 3fg1 s TYR 655 N 0.57 1.63 0.00 3.97 1.51 -0.24 -0.60 117.35 124.19 3fg1 s TYR 655 Ca -0.06 -0.59 -0.12 0.00 -1.01 0.00 0.00 57.07 55.29 3fg1 s TYR 655 Cb -0.15 -0.77 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 3fg1 s TYR 655 CO 0.03 0.30 0.24 -1.50 -1.11 0.00 0.00 175.55 173.52 3fg1 s ILE 656 N -2.90 0.07 0.01 2.71 2.07 0.29 0.05 121.20 123.51 3fg1 s ILE 656 Ca 0.20 -0.61 0.08 0.00 -1.41 0.00 0.00 60.65 58.92 3fg1 s ILE 656 Cb -0.01 -0.62 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 3fg1 s ILE 656 CO 0.06 -0.33 -0.24 0.68 -1.91 0.00 0.00 174.94 173.19 3fg1 s VAL 657 N -1.59 1.95 -0.20 4.00 -7.23 -0.40 -1.02 120.40 115.91 3fg1 s VAL 657 Ca -0.12 -1.18 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 3fg1 s VAL 657 Cb -0.05 -1.65 0.06 0.00 0.56 0.00 0.00 36.38 35.31 3fg1 s VAL 657 CO 0.02 0.43 0.05 -0.62 -0.31 0.00 0.00 175.10 174.67 3fg1 s ASP 658 N -0.89 2.94 -0.30 4.85 2.15 -1.26 -1.54 116.67 122.62 3fg1 s ASP 658 Ca 0.10 -0.87 0.03 0.00 0.43 0.00 0.00 52.55 52.24 3fg1 s ASP 658 Cb -0.09 -0.57 0.45 0.00 -0.30 0.00 0.00 42.92 42.41 3fg1 s ASP 658 CO 0.00 -0.32 1.60 0.49 -0.17 0.00 0.00 175.17 176.78 3fg1 n PHE 659 N 5.07 2.03 -0.41 -5.34 3.01 -0.18 -4.64 117.46 116.99 3fg1 n PHE 659 Ca -0.08 -1.37 0.34 0.00 1.01 0.00 0.00 57.45 57.35 3fg1 n PHE 659 Cb 0.47 -0.71 0.65 0.00 -0.01 0.00 0.00 39.48 39.88 3fg1 n PHE 659 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3fg1 h LYS 660 N 0.72 0.14 -0.01 -1.08 3.64 -1.80 -1.11 116.57 117.07 3fg1 h LYS 660 Ca 0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 3fg1 h LYS 660 Cb 2.23 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 34.02 3fg1 h LYS 660 CO 0.73 0.10 0.06 -0.24 -2.27 0.00 0.00 179.45 177.82 3fg1 h VAL 661 N 0.15 0.11 0.00 2.00 3.04 -1.96 -1.61 116.25 117.98 3fg1 h VAL 661 Ca 0.72 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.41 3fg1 h VAL 661 Cb 2.34 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 32.56 3fg1 h VAL 661 CO -0.26 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.48 3fg1 n LEU 662 N -3.22 0.40 -4.69 3.16 4.77 -0.42 -4.81 117.00 112.19 3fg1 n LEU 662 Ca -0.03 0.54 -0.44 0.00 -0.03 0.00 0.00 56.01 56.06 3fg1 n LEU 662 Cb 0.13 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 3fg1 n LEU 662 CO 0.21 -0.10 1.08 0.52 -1.33 0.00 0.00 177.39 177.77 3fg1 n VAL 663 N -1.88 1.01 -0.22 4.08 0.31 -0.61 -1.69 118.33 119.33 3fg1 n VAL 663 Ca 0.06 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3fg1 n VAL 663 Cb 0.38 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 3fg1 n VAL 663 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fg1 n GLY 664 N 2.12 1.05 3.73 2.92 0.00 0.43 -5.01 105.19 110.42 3fg1 n GLY 664 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3fg1 n GLY 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg1 s ALA 665 N -2.67 3.67 -0.26 4.61 0.00 -0.68 -4.53 121.76 121.91 3fg1 s ALA 665 Ca 0.00 1.30 -0.16 0.00 0.00 0.00 0.00 51.96 53.10 3fg1 s ALA 665 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 3fg1 s ALA 665 CO 0.00 -0.73 0.42 0.21 0.00 0.00 0.00 175.76 175.66 3fg1 s LYS 666 N 0.40 4.05 0.25 0.00 2.20 -1.26 -1.27 119.74 124.12 3fg1 s LYS 666 Ca 0.64 0.14 0.06 0.00 -0.36 0.00 0.00 55.97 56.45 3fg1 s LYS 666 Cb -0.42 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.23 3fg1 s LYS 666 CO 0.37 -0.27 0.26 -1.54 -0.36 0.00 0.00 175.35 173.81 3fg1 s SER 667 N 1.54 5.79 0.13 1.43 1.04 -0.71 -3.75 113.70 119.17 3fg1 s SER 667 Ca 0.17 -0.16 -0.35 0.00 0.48 0.00 0.00 55.95 56.10 3fg1 s SER 667 Cb -0.16 -1.53 -0.15 0.00 0.10 0.00 0.00 66.02 64.29 3fg1 s SER 667 CO 0.09 -0.08 1.53 0.00 0.98 0.00 0.00 173.24 175.76 3fg1 n TYR 668 N -1.28 2.09 -0.20 5.02 9.36 -0.11 -0.96 117.16 131.07 3fg1 n TYR 668 Ca -0.08 0.36 0.00 0.00 3.32 0.00 0.00 57.90 61.50 3fg1 n TYR 668 Cb 0.58 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.79 3fg1 n TYR 668 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fg1 n GLY 669 N 3.22 0.80 0.00 2.98 0.00 -1.26 -1.25 105.19 109.68 3fg1 n GLY 669 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3fg1 n GLY 669 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 670 N -2.00 2.33 3.64 -0.02 0.00 -0.14 -4.91 105.19 104.08 3fg1 n GLY 670 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3fg1 n GLY 670 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fg1 n PRO 671 N -0.52 1.66 -4.53 1.61 -0.02 -1.24 -4.73 135.00 127.23 3fg1 n PRO 671 Ca 0.00 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 3fg1 n PRO 671 Cb 0.00 -2.08 -0.16 0.00 -0.02 0.00 0.00 33.50 31.24 3fg1 n PRO 671 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fg1 s VAL 672 N -1.12 2.01 0.10 -1.45 1.01 -1.26 -1.74 120.40 117.96 3fg1 s VAL 672 Ca 0.58 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 3fg1 s VAL 672 Cb -0.62 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 33.89 3fg1 s VAL 672 CO 0.60 0.54 1.41 -0.22 0.00 0.00 0.00 175.10 177.43 3fg1 s LEU 673 N 0.94 4.37 0.42 3.92 2.96 -0.40 -4.83 118.68 126.06 3fg1 s LEU 673 Ca -0.04 2.32 0.07 0.00 -0.22 0.00 0.00 54.13 56.26 3fg1 s LEU 673 Cb -0.15 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 3fg1 s LEU 673 CO -0.04 -0.67 0.28 -1.61 -1.32 0.00 0.00 176.35 172.98 3fg1 s GLU 674 N 1.27 2.36 0.47 1.98 2.02 0.21 -0.43 118.70 126.59 3fg1 s GLU 674 Ca 0.65 -1.73 0.19 0.00 0.02 0.00 0.00 54.97 54.10 3fg1 s GLU 674 Cb -0.37 -2.16 1.18 0.00 0.10 0.00 0.00 34.13 32.88 3fg1 s GLU 674 CO 0.30 -0.18 1.97 0.38 0.02 0.00 0.00 175.26 177.75 3fg1 h ASP 675 N 1.21 0.23 0.11 -0.19 2.03 -1.98 -1.00 116.42 116.83 3fg1 h ASP 675 Ca -0.42 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 3fg1 h ASP 675 Cb 1.26 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3fg1 h ASP 675 CO 0.64 0.13 -0.11 2.30 -1.03 0.00 0.00 179.24 181.16 3fg1 n ILE 676 N -4.44 0.00 0.00 4.15 -6.64 -1.26 -0.77 119.36 110.40 3fg1 n ILE 676 Ca 0.11 -0.19 0.00 0.00 -1.77 0.00 0.00 62.75 60.90 3fg1 n ILE 676 Cb 0.49 0.41 0.00 0.00 -1.44 0.00 0.00 39.64 39.10 3fg1 n ILE 676 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3fg1 n GLY 677 N 1.25 0.84 3.16 3.28 0.00 -0.38 -4.92 105.19 108.41 3fg1 n GLY 677 Ca 0.16 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 3fg1 n GLY 677 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fg1 s TYR 678 N 0.00 1.61 0.32 1.61 1.51 -1.26 -0.62 117.35 120.52 3fg1 s TYR 678 Ca 0.00 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 3fg1 s TYR 678 Cb 0.00 -1.05 0.53 0.00 -0.11 0.00 0.00 41.96 41.33 3fg1 s TYR 678 CO 0.00 -0.05 1.90 1.57 -1.11 0.00 0.00 175.55 177.86 3fg1 h LYS 679 N 5.80 0.75 0.00 -0.62 -0.00 -1.93 -3.50 116.57 117.08 3fg1 h LYS 679 Ca -0.36 -0.12 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 3fg1 h LYS 679 Cb 1.15 -0.13 0.00 0.00 -0.00 0.00 0.00 32.23 33.25 3fg1 h LYS 679 CO 0.48 0.63 0.00 -0.85 -0.00 0.00 0.00 179.45 179.72 3fg1 n GLU 688 N -4.33 0.00 -1.76 0.07 0.00 -1.26 -5.17 120.64 108.20 3fg1 n GLU 688 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.81 3fg1 n GLU 688 Cb 0.17 0.00 0.04 0.00 0.00 0.00 0.00 31.44 31.65 3fg1 n GLU 688 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3fg1 s ALA 689 N -2.56 2.90 -0.92 -1.84 0.00 -1.26 -4.91 121.76 113.18 3fg1 s ALA 689 Ca 0.00 1.39 -0.24 0.00 0.00 0.00 0.00 51.96 53.11 3fg1 s ALA 689 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.54 3fg1 s ALA 689 CO 0.00 -1.38 1.64 0.34 0.00 0.00 0.00 175.76 176.36 3fg1 s ASP 690 N -0.83 5.88 -0.15 0.00 3.68 -1.26 -4.94 116.67 119.04 3fg1 s ASP 690 Ca 0.70 -0.93 0.02 0.00 2.13 0.00 0.00 52.55 54.46 3fg1 s ASP 690 Cb -0.42 -2.56 0.02 0.00 -1.45 0.00 0.00 42.92 38.51 3fg1 s ASP 690 CO 0.50 -2.06 -0.20 -0.63 0.13 0.00 0.00 175.17 172.92 3fg1 s ILE 691 N 7.21 1.95 0.24 4.11 1.01 -1.26 -4.05 121.20 130.41 3fg1 s ILE 691 Ca 0.55 -0.89 0.11 0.00 0.00 0.00 0.00 60.65 60.42 3fg1 s ILE 691 Cb -0.04 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 3fg1 s ILE 691 CO -0.02 0.53 -0.19 -0.13 0.00 0.00 0.00 174.94 175.12 3fg1 s ARG 692 N 1.09 1.69 0.07 2.79 0.52 -0.38 -4.59 118.95 120.15 3fg1 s ARG 692 Ca -0.01 -1.61 0.03 0.00 -0.52 0.00 0.00 55.73 53.62 3fg1 s ARG 692 Cb -0.14 -1.86 -0.03 0.00 0.52 0.00 0.00 34.95 33.44 3fg1 s ARG 692 CO -0.07 0.37 -0.10 0.71 0.02 0.00 0.00 175.30 176.23 3fg1 s TYR 693 N -2.11 0.95 0.00 -0.53 1.51 -0.37 -4.44 117.35 112.37 3fg1 s TYR 693 Ca 0.26 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 3fg1 s TYR 693 Cb -0.07 -0.54 0.00 0.00 -0.11 0.00 0.00 41.96 41.25 3fg1 s TYR 693 CO 0.13 -0.03 0.00 0.00 -1.11 0.00 0.00 175.55 174.55 3fg1 s ALA 695 N -2.00 -0.97 -0.62 0.00 0.00 -1.26 -4.96 121.76 111.95 3fg1 s ALA 695 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.83 3fg1 s ALA 695 Cb 0.00 0.85 0.25 0.00 0.00 0.00 0.00 23.12 24.22 3fg1 s ALA 695 CO 0.00 -0.81 0.72 0.00 0.00 0.00 0.00 175.76 175.67 3fg1 n ALA 696 N -0.35 3.90 -1.88 0.00 0.00 -1.20 -4.63 120.51 116.35 3fg1 n ALA 696 Ca -0.10 -4.63 -0.30 0.00 0.00 0.00 0.00 53.44 48.41 3fg1 n ALA 696 Cb 0.62 -0.89 0.06 0.00 0.00 0.00 0.00 19.45 19.24 3fg1 n ALA 696 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg1 s PRO 697 N -2.32 2.56 0.04 0.00 0.04 -0.91 -3.48 135.00 130.93 3fg1 s PRO 697 Ca 0.39 0.36 0.08 0.00 0.04 0.00 0.00 61.00 61.87 3fg1 s PRO 697 Cb 0.15 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 3fg1 s PRO 697 CO -0.03 -1.22 -0.21 -0.51 0.04 0.00 0.00 177.00 175.07 3fg1 s LEU 698 N -5.44 2.47 -0.01 -3.56 1.02 -0.12 -1.01 118.68 112.02 3fg1 s LEU 698 Ca 0.59 -0.47 -0.01 0.00 0.02 0.00 0.00 54.13 54.26 3fg1 s LEU 698 Cb -0.11 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.66 3fg1 s LEU 698 CO 0.51 0.26 0.04 0.00 0.02 0.00 0.00 176.35 177.18 3fg1 s ALA 699 N -0.88 -0.10 -0.02 4.21 0.00 -0.59 -1.07 121.76 123.32 3fg1 s ALA 699 Ca 0.14 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.23 3fg1 s ALA 699 Cb -0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 3fg1 s ALA 699 CO 0.04 -0.02 -0.07 -1.17 0.00 0.00 0.00 175.76 174.54 3fg1 s LEU 700 N -0.01 3.16 0.08 0.00 2.96 0.23 -1.27 118.68 123.82 3fg1 s LEU 700 Ca -0.00 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 3fg1 s LEU 700 Cb -0.00 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 3fg1 s LEU 700 CO 0.00 0.31 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.89 3fg1 s PHE 701 N -0.94 0.88 -0.04 5.38 0.40 0.11 -0.17 117.98 123.60 3fg1 s PHE 701 Ca 0.16 -0.68 0.01 0.00 -0.60 0.00 0.00 56.93 55.81 3fg1 s PHE 701 Cb -0.11 -0.50 0.02 0.00 0.51 0.00 0.00 43.02 42.94 3fg1 s PHE 701 CO 0.06 -0.07 -0.03 -0.47 0.70 0.00 0.00 175.22 175.41 3fg1 s TYR 702 N -2.43 0.62 -0.41 0.36 5.04 0.68 -1.08 117.35 120.14 3fg1 s TYR 702 Ca 0.02 -0.14 -0.29 0.00 -2.44 0.00 0.00 57.07 54.22 3fg1 s TYR 702 Cb -0.03 -0.60 0.02 0.00 0.35 0.00 0.00 41.96 41.70 3fg1 s TYR 702 CO -0.01 -0.18 1.19 0.08 -1.34 0.00 0.00 175.55 175.29 3fg1 s VAL 703 N 1.01 4.21 0.93 3.14 1.01 0.11 -0.55 120.40 130.25 3fg1 s VAL 703 Ca -0.10 1.29 -0.14 0.00 0.00 0.00 0.00 61.98 63.04 3fg1 s VAL 703 Cb -0.14 -4.44 0.19 0.00 0.00 0.00 0.00 36.38 31.99 3fg1 s VAL 703 CO -0.01 -0.79 1.28 0.54 0.00 0.00 0.00 175.10 176.12 3fg1 s ASN 704 N 2.57 3.25 0.60 3.32 2.20 -0.22 -4.84 114.94 121.82 3fg1 s ASN 704 Ca 0.51 0.12 0.35 0.00 -0.94 0.00 0.00 52.86 52.90 3fg1 s ASN 704 Cb -0.10 -0.19 1.92 0.00 -2.00 0.00 0.00 41.25 40.87 3fg1 s ASN 704 CO 0.27 -2.63 2.23 0.07 -2.94 0.00 0.00 177.10 174.10 3fg1 h LYS 705 N -1.48 0.00 -0.01 3.55 2.10 -1.90 -0.23 116.57 118.60 3fg1 h LYS 705 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3fg1 h LYS 705 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3fg1 h LYS 705 CO 0.37 0.03 -0.07 1.28 -2.00 0.00 0.00 179.45 179.05 3fg1 n LEU 706 N -3.46 0.98 0.00 7.07 4.77 -1.26 -4.93 117.00 120.16 3fg1 n LEU 706 Ca -0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3fg1 n LEU 706 Cb 0.13 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3fg1 n LEU 706 CO 0.25 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3fg1 n GLY 707 N 1.20 0.65 3.77 -0.72 0.00 -0.10 -5.06 105.19 104.93 3fg1 n GLY 707 Ca 0.17 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3fg1 n GLY 707 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fg1 s HIS 708 N -2.00 3.77 -0.44 1.61 3.76 -1.26 -4.63 115.29 116.11 3fg1 s HIS 708 Ca 0.00 1.41 -0.23 0.00 -0.15 0.00 0.00 55.06 56.09 3fg1 s HIS 708 Cb 0.00 -2.71 0.02 0.00 1.11 0.00 0.00 32.58 31.00 3fg1 s HIS 708 CO 0.00 0.39 0.78 -1.17 -0.85 0.00 0.00 174.74 173.89 3fg1 s LEU 709 N -0.47 4.23 -0.12 0.89 2.96 -1.26 -1.06 118.68 123.86 3fg1 s LEU 709 Ca 0.35 -0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 3fg1 s LEU 709 Cb -0.20 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 3fg1 s LEU 709 CO 0.22 -0.88 -0.01 -0.04 -1.32 0.00 0.00 176.35 174.31 3fg1 s MET 710 N 3.26 3.29 0.02 1.98 -1.94 0.28 -3.87 119.30 122.32 3fg1 s MET 710 Ca 0.30 -0.44 -0.30 0.00 -1.71 0.00 0.00 55.69 53.54 3fg1 s MET 710 Cb -0.12 -2.87 -0.05 0.00 2.01 0.00 0.00 34.83 33.80 3fg1 s MET 710 CO 0.22 0.52 1.31 -1.25 -0.01 0.00 0.00 175.02 175.80 3fg1 s PRO 711 N -0.37 4.34 0.00 2.03 0.04 -1.26 -0.23 135.00 139.55 3fg1 s PRO 711 Ca 0.07 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3fg1 s PRO 711 Cb -0.12 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.95 3fg1 s PRO 711 CO 0.02 -0.45 0.00 0.44 0.04 0.00 0.00 177.00 177.05 3fg1 n ILE 712 N 4.38 0.00 -3.63 0.56 -5.35 0.76 -4.71 119.36 111.37 3fg1 n ILE 712 Ca 0.11 -0.07 -0.15 0.00 -0.27 0.00 0.00 62.75 62.38 3fg1 n ILE 712 Cb 0.45 0.53 -0.07 0.00 -1.74 0.00 0.00 39.64 38.80 3fg1 n ILE 712 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fg1 s ALA 713 N -1.63 -1.52 -0.03 -1.28 0.00 -1.11 -4.43 121.76 111.77 3fg1 s ALA 713 Ca 0.00 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.43 3fg1 s ALA 713 Cb 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.54 3fg1 s ALA 713 CO 0.00 -0.31 -0.05 0.42 0.00 0.00 0.00 175.76 175.82 3fg1 s ILE 714 N -0.31 0.47 -0.16 0.00 1.01 0.15 -0.60 121.20 121.76 3fg1 s ILE 714 Ca -0.05 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.46 3fg1 s ILE 714 Cb -0.03 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 41.98 3fg1 s ILE 714 CO 0.04 0.18 -0.17 -1.58 0.00 0.00 0.00 174.94 173.40 3fg1 s GLN 715 N 0.49 3.12 0.24 2.79 0.74 -0.23 -0.85 119.66 125.95 3fg1 s GLN 715 Ca -0.06 -0.79 0.03 0.00 0.05 0.00 0.00 55.36 54.59 3fg1 s GLN 715 Cb -0.10 -2.59 0.26 0.00 1.10 0.00 0.00 33.01 31.68 3fg1 s GLN 715 CO -0.00 -0.06 1.57 0.82 -0.55 0.00 0.00 175.29 177.07 3fg1 h ILE 716 N 5.78 1.36 -2.28 -2.34 2.04 -1.84 -0.29 117.51 119.94 3fg1 h ILE 716 Ca -0.36 -1.85 -0.59 0.00 1.00 0.00 0.00 64.86 63.06 3fg1 h ILE 716 Cb 1.18 1.88 -0.13 0.00 -0.74 0.00 0.00 36.82 39.01 3fg1 h ILE 716 CO 0.58 0.55 -0.50 0.20 0.00 0.00 0.00 178.15 178.99 3fg1 s ASN 717 N -6.90 3.08 0.13 1.72 0.01 -1.26 -2.14 114.94 109.58 3fg1 s ASN 717 Ca -0.05 -1.73 -0.04 0.00 -0.71 0.00 0.00 52.86 50.34 3fg1 s ASN 717 Cb 0.12 0.60 -0.10 0.00 0.41 0.00 0.00 41.25 42.29 3fg1 s ASN 717 CO 0.80 -0.98 1.30 1.56 -1.51 0.00 0.00 177.10 178.28 3fg1 h GLN 718 N 1.66 0.39 -4.56 -0.60 1.08 -1.42 -3.43 115.11 108.24 3fg1 h GLN 718 Ca -0.35 -0.43 -0.71 0.00 -1.45 0.00 0.00 58.65 55.70 3fg1 h GLN 718 Cb 1.28 0.13 -0.22 0.00 -0.05 0.00 0.00 27.48 28.62 3fg1 h GLN 718 CO 0.57 1.10 -0.46 -2.00 -0.95 0.00 0.00 178.83 177.09 3fg1 s GLU 719 N -3.23 3.02 0.50 1.46 2.56 0.05 -4.80 118.70 118.26 3fg1 s GLU 719 Ca -0.06 -0.97 -0.20 0.00 0.00 0.00 0.00 54.97 53.74 3fg1 s GLU 719 Cb 0.09 -3.88 -0.08 0.00 2.00 0.00 0.00 34.13 32.26 3fg1 s GLU 719 CO 0.87 -0.68 1.04 -1.25 -0.56 0.00 0.00 175.26 174.68 3fg1 s PRO 720 N 1.65 3.74 0.00 4.30 0.04 -1.26 -4.74 135.00 138.74 3fg1 s PRO 720 Ca 0.04 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3fg1 s PRO 720 Cb -0.19 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3fg1 s PRO 720 CO 0.09 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.06 3fg1 n GLY 721 N -0.29 -2.10 0.37 0.56 0.00 -1.13 -4.93 105.19 97.67 3fg1 n GLY 721 Ca 0.09 -1.19 0.14 0.00 0.00 0.00 0.00 46.02 45.06 3fg1 n GLY 721 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fg1 h PRO 722 N 0.00 0.44 -0.03 1.61 0.11 -1.94 -0.07 132.00 132.11 3fg1 h PRO 722 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3fg1 h PRO 722 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3fg1 h PRO 722 CO 0.00 0.29 0.00 0.39 -0.21 0.00 0.00 178.00 178.47 3fg1 n GLU 723 N -4.48 1.53 -2.96 1.05 1.02 -1.26 -4.25 120.64 111.29 3fg1 n GLU 723 Ca 0.14 -0.77 -0.16 0.00 -0.02 0.00 0.00 57.16 56.35 3fg1 n GLU 723 Cb 0.49 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 3fg1 n GLU 723 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3fg1 n ASN 724 N -0.05 -1.41 -3.90 1.62 5.15 -0.07 -4.37 115.26 112.23 3fg1 n ASN 724 Ca 0.20 -3.01 -0.21 0.00 -0.60 0.00 0.00 54.58 50.96 3fg1 n ASN 724 Cb 0.30 0.63 0.12 0.00 -0.53 0.00 0.00 39.78 40.31 3fg1 n ASN 724 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3fg1 n PRO 725 N 1.53 -0.39 -3.25 1.20 -0.04 -1.03 -2.82 135.00 130.19 3fg1 n PRO 725 Ca 0.15 -2.03 -0.39 0.00 -0.04 0.00 0.00 63.50 61.18 3fg1 n PRO 725 Cb 0.58 -0.76 -0.07 0.00 -0.04 0.00 0.00 33.50 33.21 3fg1 n PRO 725 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fg1 s ILE 726 N -2.83 5.11 -0.07 0.52 1.01 -1.26 -4.43 121.20 119.24 3fg1 s ILE 726 Ca 0.57 0.93 -0.04 0.00 0.00 0.00 0.00 60.65 62.12 3fg1 s ILE 726 Cb -0.03 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 3fg1 s ILE 726 CO 0.39 0.17 0.11 0.26 0.00 0.00 0.00 174.94 175.87 3fg1 s TRP 727 N 1.67 3.44 0.19 3.97 0.52 -0.03 -4.94 118.94 123.76 3fg1 s TRP 727 Ca 0.24 0.37 0.02 0.00 0.02 0.00 0.00 56.10 56.74 3fg1 s TRP 727 Cb -0.15 -1.85 -0.05 0.00 -1.15 0.00 0.00 33.47 30.27 3fg1 s TRP 727 CO 0.09 0.63 0.03 0.95 0.02 0.00 0.00 176.95 178.67 3fg1 s THR 728 N -1.08 0.62 0.39 2.01 -4.23 -1.26 -0.67 115.64 111.42 3fg1 s THR 728 Ca 0.18 -1.98 0.29 0.00 -1.18 0.00 0.00 61.69 59.00 3fg1 s THR 728 Cb -0.12 -2.24 0.29 0.00 1.34 0.00 0.00 72.50 71.77 3fg1 s THR 728 CO 0.08 -0.36 1.87 -0.65 -0.54 0.00 0.00 174.62 175.02 3fg1 h PRO 729 N 2.63 0.00 -0.62 3.99 0.11 -1.84 -2.41 132.00 133.86 3fg1 h PRO 729 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3fg1 h PRO 729 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fg1 h PRO 729 CO 0.62 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.13 3fg1 n HIS 730 N -2.67 1.11 -1.57 0.65 8.25 -1.26 -4.97 115.22 114.76 3fg1 n HIS 730 Ca -0.02 -0.44 -0.47 0.00 -0.26 0.00 0.00 57.72 56.53 3fg1 n HIS 730 Cb 0.23 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 3fg1 n HIS 730 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3fg1 n GLU 731 N 0.77 1.17 -0.33 -0.41 -0.58 -0.91 -4.86 120.64 115.49 3fg1 n GLU 731 Ca 0.19 0.41 -0.00 0.00 -0.42 0.00 0.00 57.16 57.34 3fg1 n GLU 731 Cb 0.69 -1.82 0.16 0.00 -0.57 0.00 0.00 31.44 29.91 3fg1 n GLU 731 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3fg1 h GLU 732 N 2.55 1.19 -4.43 3.49 4.11 -1.93 -3.35 114.58 116.22 3fg1 h GLU 732 Ca -0.40 -0.07 -0.73 0.00 0.07 0.00 0.00 59.36 58.23 3fg1 h GLU 732 Cb 1.35 -0.27 -0.22 0.00 0.50 0.00 0.00 28.75 30.11 3fg1 h GLU 732 CO 0.65 0.79 -0.33 1.21 0.07 0.00 0.00 179.01 181.40 3fg1 s ASN 733 N -6.14 6.14 0.46 3.06 2.47 -1.26 -4.96 114.94 114.72 3fg1 s ASN 733 Ca -0.12 -1.14 0.13 0.00 0.42 0.00 0.00 52.86 52.15 3fg1 s ASN 733 Cb 0.18 -2.19 1.08 0.00 -1.45 0.00 0.00 41.25 38.88 3fg1 s ASN 733 CO 0.81 -0.60 2.06 1.05 -3.72 0.00 0.00 177.10 176.69 3fg1 h GLU 734 N 8.73 0.29 -0.05 0.43 4.11 -1.94 -0.70 114.58 125.45 3fg1 h GLU 734 Ca -0.28 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.10 3fg1 h GLU 734 Cb 1.11 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3fg1 h GLU 734 CO 0.84 0.19 -0.13 0.45 0.07 0.00 0.00 179.01 180.42 3fg1 h HIS 735 N 0.30 0.07 -0.68 2.06 3.86 -1.93 -2.19 115.15 116.64 3fg1 h HIS 735 Ca 0.15 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 3fg1 h HIS 735 Cb 0.23 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 3fg1 h HIS 735 CO -0.00 0.20 0.20 -0.44 0.86 0.00 0.00 177.93 178.76 3fg1 h ASP 736 N 0.07 0.99 -0.12 2.45 3.32 -1.37 -0.70 116.42 121.05 3fg1 h ASP 736 Ca 0.01 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 3fg1 h ASP 736 Cb 0.28 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3fg1 h ASP 736 CO 0.02 0.93 -0.09 -0.25 -1.72 0.00 0.00 179.24 178.12 3fg1 h TRP 737 N 1.01 0.33 -0.67 4.55 -0.00 -1.48 -1.73 115.95 117.96 3fg1 h TRP 737 Ca 0.22 -0.09 0.10 0.00 -0.00 0.00 0.00 58.89 59.12 3fg1 h TRP 737 Cb 0.30 -0.07 -0.07 0.00 -0.00 0.00 0.00 29.16 29.31 3fg1 h TRP 737 CO 0.02 0.66 0.29 1.98 -0.00 0.00 0.00 178.44 181.40 3fg1 h MET 738 N -0.09 0.49 -0.69 2.65 4.05 -1.33 -1.73 114.93 118.27 3fg1 h MET 738 Ca 0.02 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 3fg1 h MET 738 Cb 0.59 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.25 3fg1 h MET 738 CO 0.02 0.32 0.31 1.98 0.23 0.00 0.00 176.91 179.77 3fg1 h MET 739 N 0.50 1.01 -0.63 0.39 1.85 -1.09 -1.23 114.93 115.74 3fg1 h MET 739 Ca 0.34 -0.17 0.06 0.00 -0.61 0.00 0.00 59.70 59.33 3fg1 h MET 739 Cb 0.41 -0.17 -0.06 0.00 0.43 0.00 0.00 31.60 32.21 3fg1 h MET 739 CO -0.30 0.82 0.33 0.00 -0.40 0.00 0.00 176.91 177.36 3fg1 h ALA 740 N 1.14 0.84 -0.86 0.39 0.00 -0.87 -0.88 119.26 119.02 3fg1 h ALA 740 Ca 0.23 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3fg1 h ALA 740 Cb 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3fg1 h ALA 740 CO -0.02 -0.02 0.47 0.87 0.00 0.00 0.00 179.25 180.55 3fg1 h LYS 741 N 0.61 1.21 -0.64 0.00 1.57 -0.78 -1.15 116.57 117.39 3fg1 h LYS 741 Ca 0.29 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3fg1 h LYS 741 Cb 0.22 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3fg1 h LYS 741 CO -0.20 0.89 0.17 0.74 -0.57 0.00 0.00 179.45 180.47 3fg1 h PHE 742 N 1.21 1.03 -0.58 -1.35 0.05 -0.42 -0.43 116.94 116.44 3fg1 h PHE 742 Ca 0.30 -0.11 -0.09 0.00 3.82 0.00 0.00 57.97 61.90 3fg1 h PHE 742 Cb 0.04 -0.30 -0.02 0.00 2.00 0.00 0.00 35.95 37.67 3fg1 h PHE 742 CO 0.01 0.84 -0.00 -1.49 -0.18 0.00 0.00 178.31 177.49 3fg1 h TRP 743 N 0.95 1.10 -0.57 -0.55 4.06 -0.70 0.12 115.95 120.36 3fg1 h TRP 743 Ca 0.21 -0.18 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 3fg1 h TRP 743 Cb 0.32 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 3fg1 h TRP 743 CO 0.02 0.97 0.23 1.25 -3.56 0.00 0.00 178.44 177.35 3fg1 h LEU 744 N 0.93 0.79 -0.68 -4.49 5.85 -0.85 -2.83 115.31 114.02 3fg1 h LEU 744 Ca 0.17 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3fg1 h LEU 744 Cb 0.54 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3fg1 h LEU 744 CO 0.03 0.74 0.34 1.23 -0.34 0.00 0.00 178.44 180.44 3fg1 h GLY 745 N 0.78 1.04 1.24 3.75 0.00 -0.65 -0.43 103.07 108.80 3fg1 h GLY 745 Ca 0.19 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3fg1 h GLY 745 CO -0.02 0.48 0.40 -0.24 0.00 0.00 0.00 176.54 177.17 3fg1 h VAL 746 N 0.94 1.21 -0.12 4.60 3.04 -0.86 0.60 116.25 125.67 3fg1 h VAL 746 Ca 0.24 -0.53 -0.03 0.00 -1.01 0.00 0.00 66.70 65.37 3fg1 h VAL 746 Cb 0.09 0.22 -0.00 0.00 -2.01 0.00 0.00 31.29 29.59 3fg1 h VAL 746 CO -0.03 0.24 -0.04 0.00 -1.01 0.00 0.00 177.57 176.73 3fg1 h ALA 747 N 1.43 0.16 -0.39 3.17 0.00 -1.25 -2.32 119.26 120.06 3fg1 h ALA 747 Ca 0.26 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3fg1 h ALA 747 Cb 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3fg1 h ALA 747 CO -0.04 -0.09 0.08 1.49 0.00 0.00 0.00 179.25 180.69 3fg1 h GLU 748 N -0.10 0.20 -0.32 0.00 4.81 -0.79 -1.23 114.58 117.15 3fg1 h GLU 748 Ca 0.03 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3fg1 h GLU 748 Cb 0.46 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 3fg1 h GLU 748 CO 0.01 0.13 0.16 0.77 -0.73 0.00 0.00 179.01 179.36 3fg1 h SER 749 N 0.20 0.25 -0.40 1.04 0.02 -0.81 0.31 113.55 114.17 3fg1 h SER 749 Ca 0.19 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 3fg1 h SER 749 Cb 0.22 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3fg1 h SER 749 CO -0.24 0.18 -0.30 0.78 -1.14 0.00 0.00 176.83 176.11 3fg1 h ASN 750 N 0.34 0.95 0.05 3.07 4.21 -1.23 -1.27 115.58 121.70 3fg1 h ASN 750 Ca 0.13 -0.44 -0.00 0.00 1.21 0.00 0.00 56.30 57.20 3fg1 h ASN 750 Cb 0.04 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 36.98 3fg1 h ASN 750 CO -0.09 1.19 -0.03 0.15 -1.29 0.00 0.00 177.43 177.36 3fg1 h PHE 751 N 0.72 -0.08 0.36 1.19 3.57 -1.11 -2.56 116.94 119.03 3fg1 h PHE 751 Ca 0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3fg1 h PHE 751 Cb 0.88 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 3fg1 h PHE 751 CO 0.06 -0.05 -0.26 1.25 -2.23 0.00 0.00 178.31 177.08 3fg1 h HIS 752 N -0.08 -0.70 -0.46 0.41 2.76 -0.31 -0.06 115.15 116.71 3fg1 h HIS 752 Ca -0.01 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 3fg1 h HIS 752 Cb 0.06 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 3fg1 h HIS 752 CO -0.08 -0.40 0.08 1.96 -1.30 0.00 0.00 177.93 178.19 3fg1 h GLN 753 N -0.62 0.77 0.15 5.26 4.20 -1.27 0.51 115.11 124.10 3fg1 h GLN 753 Ca -0.03 -0.21 -0.32 0.00 0.06 0.00 0.00 58.65 58.15 3fg1 h GLN 753 Cb 0.53 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3fg1 h GLN 753 CO 0.00 0.78 -1.62 -0.07 -0.67 0.00 0.00 178.83 177.25 3fg1 h LEU 754 N 0.63 0.50 0.00 1.46 3.38 -1.49 -1.28 115.31 118.52 3fg1 h LEU 754 Ca 0.14 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.21 3fg1 h LEU 754 Cb 0.39 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3fg1 h LEU 754 CO 0.01 1.72 -0.29 -3.20 0.09 0.00 0.00 178.44 176.77 3fg1 n ASN 755 N -3.73 0.73 -0.18 -0.43 5.15 -0.07 -1.48 115.26 115.25 3fg1 n ASN 755 Ca -0.25 0.28 -0.04 0.00 -0.60 0.00 0.00 54.58 53.96 3fg1 n ASN 755 Cb 1.00 -0.62 0.06 0.00 -0.53 0.00 0.00 39.78 39.69 3fg1 n ASN 755 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 3fg1 h THR 756 N -0.39 0.96 0.00 -0.44 2.02 -1.34 -0.32 112.91 113.40 3fg1 h THR 756 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3fg1 h THR 756 Cb 0.29 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3fg1 h THR 756 CO 0.00 0.10 0.00 1.57 0.37 0.00 0.00 175.52 177.56 3fg1 n HIS 757 N -4.86 0.00 0.15 3.16 -0.00 0.16 -3.84 115.22 109.99 3fg1 n HIS 757 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.63 3fg1 n HIS 757 Cb 0.14 -0.17 -0.08 0.00 -0.00 0.00 0.00 29.99 29.88 3fg1 n HIS 757 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3fg1 h LEU 758 N 0.00 -0.26 0.04 0.27 5.85 -1.33 -1.53 115.31 118.36 3fg1 h LEU 758 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3fg1 h LEU 758 Cb 0.00 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3fg1 h LEU 758 CO 0.00 -0.17 -0.02 0.25 -0.34 0.00 0.00 178.44 178.16 3fg1 h LEU 759 N -0.32 -0.05 -0.21 2.25 5.85 -1.23 -0.71 115.31 120.89 3fg1 h LEU 759 Ca -0.03 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3fg1 h LEU 759 Cb 0.25 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3fg1 h LEU 759 CO 0.05 0.56 -0.15 0.54 -0.34 0.00 0.00 178.44 179.10 3fg1 n ARG 760 N -4.83 0.56 0.00 1.25 1.74 -0.14 -1.35 116.66 113.91 3fg1 n ARG 760 Ca -0.09 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 3fg1 n ARG 760 Cb 0.30 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3fg1 n ARG 760 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3fg1 n THR 761 N -1.03 0.00 0.00 0.55 -2.24 -0.58 -4.75 114.28 106.23 3fg1 n THR 761 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3fg1 n THR 761 Cb 0.29 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 3fg1 n THR 761 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fg1 n HIS 762 N -0.25 0.00 -0.07 4.78 8.25 -1.19 -1.52 115.22 125.22 3fg1 n HIS 762 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3fg1 n HIS 762 Cb 0.00 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.75 3fg1 n HIS 762 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fg1 h LEU 763 N 0.00 0.88 -0.14 2.41 3.38 -1.08 -0.93 115.31 119.83 3fg1 h LEU 763 Ca 0.00 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 3fg1 h LEU 763 Cb 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3fg1 h LEU 763 CO 0.00 1.20 -0.38 0.71 0.09 0.00 0.00 178.44 180.06 3fg1 h THR 764 N 0.64 1.36 0.00 0.22 1.35 -1.21 -3.21 112.91 112.06 3fg1 h THR 764 Ca 0.04 -1.66 -0.04 0.00 -0.55 0.00 0.00 66.41 64.20 3fg1 h THR 764 Cb 1.04 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 69.51 3fg1 h THR 764 CO 0.10 0.50 -0.18 0.71 -0.25 0.00 0.00 175.52 176.40 3fg1 h THR 765 N 0.12 0.46 -0.88 6.82 1.35 -1.23 -2.77 112.91 116.78 3fg1 h THR 765 Ca -0.01 -0.97 0.13 0.00 -0.55 0.00 0.00 66.41 65.01 3fg1 h THR 765 Cb 0.99 1.69 -0.07 0.00 -1.73 0.00 0.00 68.15 69.03 3fg1 h THR 765 CO 0.08 0.17 0.57 -0.08 -0.25 0.00 0.00 175.52 176.01 3fg1 h GLU 766 N 0.00 0.70 -0.97 4.72 4.81 -1.16 -0.72 114.58 121.96 3fg1 h GLU 766 Ca -0.00 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3fg1 h GLU 766 Cb 0.67 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 3fg1 h GLU 766 CO 0.02 0.47 0.63 0.77 -0.73 0.00 0.00 179.01 180.17 3fg1 h SER 767 N 0.73 1.03 0.06 1.04 0.02 -1.57 -0.60 113.55 114.26 3fg1 h SER 767 Ca 0.43 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.19 3fg1 h SER 767 Cb 0.63 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 3fg1 h SER 767 CO -0.19 0.68 -0.70 -0.26 -1.14 0.00 0.00 176.83 175.23 3fg1 h PHE 768 N 1.19 0.76 -0.09 3.45 -1.00 -1.30 -1.53 116.94 118.41 3fg1 h PHE 768 Ca 0.40 -0.32 0.02 0.00 2.81 0.00 0.00 57.97 60.88 3fg1 h PHE 768 Cb 0.08 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 3fg1 h PHE 768 CO -0.01 1.10 -0.03 0.00 -1.61 0.00 0.00 178.31 177.76 3fg1 h ALA 769 N 0.82 0.06 -0.57 2.45 0.00 -0.65 -1.20 119.26 120.17 3fg1 h ALA 769 Ca -0.03 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3fg1 h ALA 769 Cb 1.28 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3fg1 h ALA 769 CO 0.13 -0.49 0.36 1.25 0.00 0.00 0.00 179.25 180.50 3fg1 h LEU 770 N -0.01 0.61 -1.34 0.00 5.85 -1.08 -2.55 115.31 116.80 3fg1 h LEU 770 Ca 0.05 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3fg1 h LEU 770 Cb 0.08 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3fg1 h LEU 770 CO -0.10 0.43 -0.12 -1.28 -0.34 0.00 0.00 178.44 177.03 3fg1 h SER 771 N 0.73 0.28 -0.21 1.25 0.87 -0.97 -0.67 113.55 114.83 3fg1 h SER 771 Ca 0.22 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3fg1 h SER 771 Cb -0.04 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3fg1 h SER 771 CO -0.07 0.43 0.12 0.74 -0.53 0.00 0.00 176.83 177.53 3fg1 h THR 772 N 0.28 1.09 -0.54 2.23 2.02 -0.82 -1.03 112.91 116.13 3fg1 h THR 772 Ca 0.06 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 3fg1 h THR 772 Cb 0.39 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3fg1 h THR 772 CO 0.02 0.09 -0.01 -0.50 0.37 0.00 0.00 175.52 175.49 3fg1 h TRP 773 N 0.25 1.01 -0.42 3.16 4.06 -1.13 -2.25 115.95 120.62 3fg1 h TRP 773 Ca 0.08 -0.16 -0.09 0.00 2.06 0.00 0.00 58.89 60.78 3fg1 h TRP 773 Cb 0.03 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 27.90 3fg1 h TRP 773 CO -0.05 0.91 -0.10 0.00 -3.56 0.00 0.00 178.44 175.64 3fg1 h ARG 774 N 0.86 0.74 0.00 0.49 3.08 -0.88 -3.41 114.38 115.26 3fg1 h ARG 774 Ca 0.16 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3fg1 h ARG 774 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3fg1 h ARG 774 CO 0.03 0.82 -0.97 0.09 -1.07 0.00 0.00 179.97 178.86 3fg1 n ASN 775 N -4.17 4.87 -4.58 7.04 3.02 -0.41 -4.42 115.26 116.60 3fg1 n ASN 775 Ca 0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.21 3fg1 n ASN 775 Cb 0.35 0.84 -0.11 0.00 -0.61 0.00 0.00 39.78 40.26 3fg1 n ASN 775 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fg1 s LEU 776 N -3.19 3.73 0.69 3.41 1.43 -0.85 -4.69 118.68 119.21 3fg1 s LEU 776 Ca 0.00 -0.00 -0.14 0.00 -1.03 0.00 0.00 54.13 52.96 3fg1 s LEU 776 Cb 0.00 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.27 3fg1 s LEU 776 CO 0.00 0.10 1.10 0.00 0.23 0.00 0.00 176.35 177.78 3fg1 s ALA 777 N 0.81 2.43 0.41 4.21 0.00 -1.26 -4.78 121.76 123.58 3fg1 s ALA 777 Ca 0.04 0.45 0.36 0.00 0.00 0.00 0.00 51.96 52.81 3fg1 s ALA 777 Cb -0.13 -3.30 1.80 0.00 0.00 0.00 0.00 23.12 21.48 3fg1 s ALA 777 CO 0.02 -1.39 2.16 0.66 0.00 0.00 0.00 175.76 177.21 3fg1 h SER 778 N -0.30 0.00 0.75 0.00 4.64 -1.97 0.25 113.55 116.92 3fg1 h SER 778 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3fg1 h SER 778 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3fg1 h SER 778 CO 0.53 0.04 -0.02 0.00 -0.87 0.00 0.00 176.83 176.52 3fg1 n ALA 779 N -2.15 2.45 -2.41 5.18 0.00 -1.26 -4.64 120.51 117.68 3fg1 n ALA 779 Ca -0.02 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 3fg1 n ALA 779 Cb 0.20 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 3fg1 n ALA 779 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fg1 s HIS 780 N -2.76 3.59 0.46 0.00 5.04 0.07 -1.01 115.29 120.68 3fg1 s HIS 780 Ca 0.22 1.56 0.13 0.00 -1.54 0.00 0.00 55.06 55.43 3fg1 s HIS 780 Cb 0.20 -3.25 1.08 0.00 0.04 0.00 0.00 32.58 30.65 3fg1 s HIS 780 CO 0.50 -0.54 2.06 -1.00 -2.34 0.00 0.00 174.74 173.42 3fg1 h PRO 781 N 6.27 0.28 0.00 2.88 0.13 -1.88 -1.77 132.00 137.91 3fg1 h PRO 781 Ca -0.42 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.57 3fg1 h PRO 781 Cb 1.21 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3fg1 h PRO 781 CO 0.76 0.19 -0.55 0.82 -0.23 0.00 0.00 178.00 178.98 3fg1 h ILE 782 N 0.29 1.04 -0.10 -3.56 1.08 -1.93 -0.82 117.51 113.51 3fg1 h ILE 782 Ca 0.15 -2.21 -0.00 0.00 -0.39 0.00 0.00 64.86 62.41 3fg1 h ILE 782 Cb 0.23 2.34 -0.00 0.00 -3.07 0.00 0.00 36.82 36.31 3fg1 h ILE 782 CO -0.03 0.54 0.06 0.15 -0.69 0.00 0.00 178.15 178.18 3fg1 h PHE 783 N 0.00 0.14 -0.90 1.37 3.57 -1.61 -1.36 116.94 118.14 3fg1 h PHE 783 Ca -0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3fg1 h PHE 783 Cb 1.29 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.94 3fg1 h PHE 783 CO 0.00 0.16 0.60 0.87 -2.23 0.00 0.00 178.31 177.70 3fg1 h LYS 784 N 0.08 1.15 -0.34 1.11 1.57 -1.08 -0.41 116.57 118.64 3fg1 h LYS 784 Ca 0.04 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3fg1 h LYS 784 Cb 0.06 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3fg1 h LYS 784 CO -0.01 0.76 0.04 1.25 -0.57 0.00 0.00 179.45 180.93 3fg1 h LEU 785 N 1.19 0.56 -0.13 2.94 5.85 -1.05 -3.27 115.31 121.40 3fg1 h LEU 785 Ca 0.34 -0.28 -0.17 0.00 0.84 0.00 0.00 57.88 58.62 3fg1 h LEU 785 Cb -0.08 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3fg1 h LEU 785 CO -0.09 0.70 -0.81 -0.07 -0.34 0.00 0.00 178.44 177.83 3fg1 h LEU 786 N 0.41 0.00 -0.64 2.25 3.38 -0.94 -3.38 115.31 116.40 3fg1 h LEU 786 Ca 0.10 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.18 3fg1 h LEU 786 Cb 0.39 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.02 3fg1 h LEU 786 CO 0.01 0.81 -0.33 -0.61 0.09 0.00 0.00 178.44 178.41 3fg1 h GLN 787 N 0.00 -0.13 0.00 1.13 4.15 -1.13 0.13 115.11 119.26 3fg1 h GLN 787 Ca -0.01 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3fg1 h GLN 787 Cb 1.56 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.29 3fg1 h GLN 787 CO 0.11 -0.09 0.00 -1.00 -1.93 0.00 0.00 178.83 175.92 3fg1 h PRO 788 N -0.14 0.00 0.00 -2.39 0.13 -1.78 -3.04 132.00 124.79 3fg1 h PRO 788 Ca 0.25 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.08 3fg1 h PRO 788 Cb 0.55 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.63 3fg1 h PRO 788 CO -0.71 0.00 -1.80 0.72 -0.23 0.00 0.00 178.00 175.98 3fg1 n HIS 789 N -3.05 0.87 0.80 1.56 8.25 0.27 -4.12 115.22 119.79 3fg1 n HIS 789 Ca -0.01 0.31 0.13 0.00 -0.26 0.00 0.00 57.72 57.89 3fg1 n HIS 789 Cb 0.22 -1.16 0.31 0.00 1.12 0.00 0.00 29.99 30.49 3fg1 n HIS 789 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fg1 n ILE 790 N -3.01 0.20 -1.67 1.59 -5.35 -0.06 -4.28 119.36 106.79 3fg1 n ILE 790 Ca -0.19 -0.13 -0.45 0.00 -0.27 0.00 0.00 62.75 61.71 3fg1 n ILE 790 Cb 1.07 -0.14 -0.03 0.00 -1.74 0.00 0.00 39.64 38.80 3fg1 n ILE 790 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fg1 n TYR 791 N -1.82 2.17 0.00 4.28 9.36 -1.15 -3.15 117.16 126.85 3fg1 n TYR 791 Ca 0.05 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.70 3fg1 n TYR 791 Cb 0.39 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 3fg1 n TYR 791 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fg1 n GLY 792 N 2.17 3.04 0.27 2.98 0.00 -1.26 -4.04 105.19 108.34 3fg1 n GLY 792 Ca 0.12 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 3fg1 n GLY 792 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3fg1 h VAL 793 N 0.00 1.27 -0.56 1.61 3.04 -1.35 -0.42 116.25 119.85 3fg1 h VAL 793 Ca 0.00 -1.45 -0.03 0.00 -1.01 0.00 0.00 66.70 64.21 3fg1 h VAL 793 Cb 0.00 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 3fg1 h VAL 793 CO 0.00 0.49 0.24 -0.07 -1.01 0.00 0.00 177.57 177.22 3fg1 h LEU 794 N 0.75 0.76 0.69 3.16 3.38 -1.85 -2.08 115.31 120.12 3fg1 h LEU 794 Ca 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3fg1 h LEU 794 Cb 0.86 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.42 3fg1 h LEU 794 CO 0.08 0.71 -0.33 0.00 0.09 0.00 0.00 178.44 178.98 3fg1 h ALA 795 N 1.08 -0.93 -0.46 1.53 0.00 -1.45 -1.48 119.26 117.55 3fg1 h ALA 795 Ca 0.19 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3fg1 h ALA 795 Cb 0.17 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3fg1 h ALA 795 CO -0.02 -0.98 0.04 0.97 0.00 0.00 0.00 179.25 179.26 3fg1 h ILE 796 N -1.02 1.23 -0.34 0.00 6.09 -1.13 -1.47 117.51 120.86 3fg1 h ILE 796 Ca -0.10 -0.90 -0.13 0.00 -1.37 0.00 0.00 64.86 62.37 3fg1 h ILE 796 Cb 0.74 0.84 -0.01 0.00 0.47 0.00 0.00 36.82 38.85 3fg1 h ILE 796 CO 0.16 0.32 -0.31 0.44 -3.07 0.00 0.00 178.15 175.69 3fg1 h ASP 797 N 0.70 0.76 -0.31 2.19 5.19 -1.40 0.52 116.42 124.08 3fg1 h ASP 797 Ca 0.14 -0.31 -0.02 0.00 -0.62 0.00 0.00 57.03 56.23 3fg1 h ASP 797 Cb 0.38 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 3fg1 h ASP 797 CO 0.01 1.02 0.12 0.74 -3.12 0.00 0.00 179.24 178.01 3fg1 h THR 798 N 0.62 1.18 -0.38 0.35 2.02 -0.97 0.11 112.91 115.86 3fg1 h THR 798 Ca 0.07 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3fg1 h THR 798 Cb 0.83 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 3fg1 h THR 798 CO 0.07 0.20 0.24 0.40 0.37 0.00 0.00 175.52 176.80 3fg1 h ILE 799 N 0.35 1.11 -0.14 3.11 2.04 -1.10 -3.10 117.51 119.78 3fg1 h ILE 799 Ca 0.10 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3fg1 h ILE 799 Cb 0.19 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3fg1 h ILE 799 CO -0.01 0.11 -0.10 1.23 0.00 0.00 0.00 178.15 179.38 3fg1 h GLY 800 N 0.50 0.23 2.00 5.37 0.00 0.32 -0.79 103.07 110.71 3fg1 h GLY 800 Ca 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3fg1 h GLY 800 CO -0.03 0.13 -0.04 3.21 0.00 0.00 0.00 176.54 179.81 3fg1 h ARG 801 N 0.21 0.00 0.00 4.80 3.08 -0.69 -0.66 114.38 121.12 3fg1 h ARG 801 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3fg1 h ARG 801 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3fg1 h ARG 801 CO 0.02 0.04 0.00 1.63 -1.07 0.00 0.00 179.97 180.58 3fg1 n LYS 802 N -3.47 0.00 0.00 0.04 5.02 -0.81 -3.66 118.16 115.28 3fg1 n LYS 802 Ca -0.02 0.33 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 3fg1 n LYS 802 Cb 0.15 -0.82 0.60 0.00 -0.02 0.00 0.00 35.03 34.94 3fg1 n LYS 802 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fg1 n GLU 803 N -1.93 0.17 0.00 1.97 1.02 -0.37 -2.01 120.64 119.49 3fg1 n GLU 803 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3fg1 n GLU 803 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 3fg1 n GLU 803 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3fg1 n LEU 804 N -1.40 0.61 0.09 -4.62 4.77 -0.32 -2.66 117.00 113.46 3fg1 n LEU 804 Ca 0.09 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.15 3fg1 n LEU 804 Cb 0.26 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3fg1 n LEU 804 CO 0.22 -0.01 -0.04 0.16 -1.33 0.00 0.00 177.39 176.39 3fg1 h ILE 805 N 0.00 0.18 -4.19 -0.08 -2.65 -1.55 -2.57 117.51 106.64 3fg1 h ILE 805 Ca 0.00 -1.35 -0.50 0.00 1.03 0.00 0.00 64.86 64.04 3fg1 h ILE 805 Cb 0.69 1.71 0.07 0.00 -2.05 0.00 0.00 36.82 37.24 3fg1 h ILE 805 CO 0.00 0.10 0.38 -0.83 0.03 0.00 0.00 178.15 177.83 3fg1 s GLY 806 N -4.50 2.17 0.17 0.16 0.00 -0.85 -4.91 107.32 99.56 3fg1 s GLY 806 Ca -0.01 0.46 -0.34 0.00 0.00 0.00 0.00 44.72 44.83 3fg1 s GLY 806 CO 0.79 0.79 1.47 -1.26 0.00 0.00 0.00 173.10 174.88 3fg1 n SER 807 N -2.07 2.65 0.00 1.64 2.88 -1.26 -0.15 113.62 117.31 3fg1 n SER 807 Ca 0.09 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 3fg1 n SER 807 Cb 0.52 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 3fg1 n SER 807 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fg1 n GLY 808 N 2.83 2.19 0.00 0.46 0.00 -1.26 -5.02 105.19 104.39 3fg1 n GLY 808 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3fg1 n GLY 808 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 809 N -2.00 -1.69 0.15 -0.02 0.00 0.79 -4.71 105.19 97.71 3fg1 n GLY 809 Ca 0.00 -1.53 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 3fg1 n GLY 809 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fg1 h ILE 810 N -0.87 0.87 -0.27 -0.61 5.03 -1.52 -2.24 117.51 117.89 3fg1 h ILE 810 Ca 0.00 -0.08 0.01 0.00 -0.12 0.00 0.00 64.86 64.67 3fg1 h ILE 810 Cb 0.00 0.63 -0.02 0.00 -3.03 0.00 0.00 36.82 34.40 3fg1 h ILE 810 CO 0.00 0.04 0.17 -0.37 -0.68 0.00 0.00 178.15 177.31 3fg1 h VAL 811 N 0.22 1.05 -0.55 1.67 -1.51 -1.77 -2.94 116.25 112.43 3fg1 h VAL 811 Ca 0.15 -0.12 0.11 0.00 -1.23 0.00 0.00 66.70 65.61 3fg1 h VAL 811 Cb 0.15 0.67 -0.03 0.00 -2.13 0.00 0.00 31.29 29.95 3fg1 h VAL 811 CO -0.18 0.06 0.38 0.44 -1.23 0.00 0.00 177.57 177.04 3fg1 h ASP 812 N 0.35 0.25 1.27 4.19 3.45 -1.65 -0.98 116.42 123.30 3fg1 h ASP 812 Ca 0.10 0.01 -0.12 0.00 0.43 0.00 0.00 57.03 57.45 3fg1 h ASP 812 Cb -0.03 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 3fg1 h ASP 812 CO -0.03 0.15 -0.76 1.56 -1.57 0.00 0.00 179.24 178.58 3fg1 h GLN 813 N 0.28 0.00 0.00 3.56 4.20 -1.32 -3.42 115.11 118.41 3fg1 h GLN 813 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3fg1 h GLN 813 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3fg1 h GLN 813 CO -0.06 0.44 -0.37 -1.13 -0.67 0.00 0.00 178.83 177.04 3fg1 n SER 814 N -3.12 1.86 -4.52 1.46 3.41 -0.47 -4.89 113.62 107.35 3fg1 n SER 814 Ca -0.01 -0.26 -0.32 0.00 -0.26 0.00 0.00 58.87 58.02 3fg1 n SER 814 Cb 0.76 0.90 -0.12 0.00 -0.26 0.00 0.00 64.21 65.49 3fg1 n SER 814 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fg1 s LEU 815 N -2.16 2.89 0.33 1.04 1.43 -0.65 -4.28 118.68 117.27 3fg1 s LEU 815 Ca 0.00 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 3fg1 s LEU 815 Cb 0.00 -1.65 0.75 0.00 0.03 0.00 0.00 46.19 45.32 3fg1 s LEU 815 CO 0.00 0.30 1.84 0.28 0.23 0.00 0.00 176.35 179.00 3fg1 h SER 816 N 4.85 0.74 0.13 2.29 0.02 -1.32 -1.70 113.55 118.56 3fg1 h SER 816 Ca -0.48 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3fg1 h SER 816 Cb 1.16 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3fg1 h SER 816 CO 0.51 0.35 -0.00 0.18 -1.14 0.00 0.00 176.83 176.73 3fg1 n LEU 817 N -4.61 0.06 -4.47 5.07 4.32 -1.26 -0.94 117.00 115.18 3fg1 n LEU 817 Ca 0.19 0.04 -0.32 0.00 -0.02 0.00 0.00 56.01 55.90 3fg1 n LEU 817 Cb 0.47 -0.06 0.14 0.00 -1.62 0.00 0.00 43.42 42.35 3fg1 n LEU 817 CO 0.27 0.01 0.08 0.61 -1.22 0.00 0.00 177.39 177.14 3fg1 n GLY 818 N 1.07 -1.67 0.03 -0.72 0.00 -0.64 -1.04 105.19 102.23 3fg1 n GLY 818 Ca 0.22 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3fg1 n GLY 818 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 819 N 1.24 0.32 0.00 -0.02 0.00 -1.26 -2.78 105.19 102.68 3fg1 n GLY 819 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3fg1 n GLY 819 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg1 n GLY 820 N -2.00 2.12 0.31 -0.02 0.00 -1.25 -4.95 105.19 99.40 3fg1 n GLY 820 Ca 0.00 -0.39 0.16 0.00 0.00 0.00 0.00 46.02 45.79 3fg1 n GLY 820 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fg1 h GLY 821 N 0.00 0.00 1.22 -0.02 0.00 -1.64 -2.33 103.07 100.30 3fg1 h GLY 821 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3fg1 h GLY 821 CO 0.00 0.00 0.13 1.12 0.00 0.00 0.00 176.54 177.79 3fg1 h HIS 822 N 0.00 1.01 -0.19 5.60 2.07 -1.31 -0.42 115.15 121.91 3fg1 h HIS 822 Ca 0.01 -0.11 -0.07 0.00 -2.85 0.00 0.00 60.37 57.35 3fg1 h HIS 822 Cb 0.04 -0.29 -0.00 0.00 2.57 0.00 0.00 27.41 29.73 3fg1 h HIS 822 CO 0.00 0.85 -0.14 0.28 -3.07 0.00 0.00 177.93 175.85 3fg1 h VAL 823 N 0.92 1.32 -0.87 6.12 2.07 -1.73 -1.34 116.25 122.74 3fg1 h VAL 823 Ca 0.19 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.48 3fg1 h VAL 823 Cb 0.36 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 3fg1 h VAL 823 CO 0.00 0.38 0.58 0.74 0.02 0.00 0.00 177.57 179.29 3fg1 h THR 824 N 0.10 1.19 -0.23 2.57 2.02 -1.53 -0.24 112.91 116.79 3fg1 h THR 824 Ca 0.04 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 3fg1 h THR 824 Cb 0.66 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3fg1 h THR 824 CO 0.04 0.21 0.02 0.15 0.37 0.00 0.00 175.52 176.30 3fg1 h PHE 825 N 1.14 0.43 -0.59 3.16 3.57 -0.95 0.36 116.94 124.06 3fg1 h PHE 825 Ca 0.33 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 3fg1 h PHE 825 Cb -0.07 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 3fg1 h PHE 825 CO -0.00 0.55 0.25 0.52 -2.23 0.00 0.00 178.31 177.40 3fg1 h MET 826 N 0.19 0.86 -0.09 1.11 2.86 -0.60 -1.28 114.93 117.97 3fg1 h MET 826 Ca 0.07 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3fg1 h MET 826 Cb 0.37 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3fg1 h MET 826 CO 0.01 0.69 0.01 0.93 1.06 0.00 0.00 176.91 179.61 3fg1 h GLU 827 N 0.85 0.04 -0.52 1.72 5.08 -0.83 0.23 114.58 121.14 3fg1 h GLU 827 Ca 0.20 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.65 3fg1 h GLU 827 Cb 0.15 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 3fg1 h GLU 827 CO -0.02 0.03 0.10 -0.22 -1.00 0.00 0.00 179.01 177.89 3fg1 h LYS 828 N 0.04 0.22 -0.55 2.33 3.64 -0.58 -2.03 116.57 119.64 3fg1 h LYS 828 Ca 0.04 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3fg1 h LYS 828 Cb 0.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3fg1 h LYS 828 CO -0.06 0.15 0.19 0.00 -2.27 0.00 0.00 179.45 177.46 3fg1 h PHE 830 N 0.76 0.90 -0.70 0.00 3.57 -0.08 -1.26 116.94 120.12 3fg1 h PHE 830 Ca 0.18 -0.03 0.20 0.00 3.53 0.00 0.00 57.97 61.86 3fg1 h PHE 830 Cb 0.24 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3fg1 h PHE 830 CO 0.01 0.65 0.63 0.87 -2.23 0.00 0.00 178.31 178.25 3fg1 h LYS 831 N 0.92 0.00 -0.00 1.11 1.57 -1.27 -1.21 116.57 117.68 3fg1 h LYS 831 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3fg1 h LYS 831 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3fg1 h LYS 831 CO -0.03 0.00 -0.82 0.39 -0.57 0.00 0.00 179.45 178.42 3fg1 n GLU 832 N -3.87 0.27 -1.82 3.15 -0.58 -0.49 -1.24 120.64 116.06 3fg1 n GLU 832 Ca 0.14 -0.22 -0.42 0.00 -0.42 0.00 0.00 57.16 56.25 3fg1 n GLU 832 Cb 0.89 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 30.24 3fg1 n GLU 832 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3fg1 s VAL 833 N -2.88 2.19 -0.01 2.62 1.01 -0.46 -4.98 120.40 117.89 3fg1 s VAL 833 Ca 0.11 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.27 3fg1 s VAL 833 Cb 0.17 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3fg1 s VAL 833 CO 0.78 0.02 -0.09 0.21 0.00 0.00 0.00 175.10 176.02 3fg1 s ASN 834 N 0.61 1.09 0.57 3.32 2.47 -1.26 -4.29 114.94 117.45 3fg1 s ASN 834 Ca 0.65 -0.17 0.28 0.00 0.42 0.00 0.00 52.86 54.04 3fg1 s ASN 834 Cb -0.47 -0.14 1.49 0.00 -1.45 0.00 0.00 41.25 40.68 3fg1 s ASN 834 CO 0.44 0.11 1.95 0.25 -3.72 0.00 0.00 177.10 176.13 3fg1 h LEU 835 N 5.97 0.00 -1.90 3.21 5.85 -1.06 0.10 115.31 127.49 3fg1 h LEU 835 Ca -0.31 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 3fg1 h LEU 835 Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 3fg1 h LEU 835 CO 0.49 0.00 -0.05 1.56 -0.34 0.00 0.00 178.44 180.10 3fg1 h GLN 836 N 0.00 0.00 0.00 1.25 1.08 -1.84 -1.75 115.11 113.85 3fg1 h GLN 836 Ca 0.22 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.41 3fg1 h GLN 836 Cb 1.07 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3fg1 h GLN 836 CO -0.00 0.05 -0.03 -0.44 -0.95 0.00 0.00 178.83 177.46 3fg1 h ASP 837 N 0.00 0.00 -0.06 1.46 3.32 -1.19 -2.57 116.42 117.37 3fg1 h ASP 837 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fg1 h ASP 837 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3fg1 h ASP 837 CO 0.01 0.03 0.00 -1.22 -1.72 0.00 0.00 179.24 176.33 3fg1 n TYR 838 N -3.48 0.06 -3.15 4.55 4.02 -0.66 -4.72 117.16 113.79 3fg1 n TYR 838 Ca -0.02 -0.03 -0.44 0.00 -0.01 0.00 0.00 57.90 57.39 3fg1 n TYR 838 Cb 0.13 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.39 3fg1 n TYR 838 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3fg1 s HIS 839 N -1.94 3.04 0.08 -0.72 2.46 -0.97 -4.62 115.29 112.61 3fg1 s HIS 839 Ca 0.36 -0.67 -0.24 0.00 0.47 0.00 0.00 55.06 54.97 3fg1 s HIS 839 Cb 0.20 -3.67 -0.16 0.00 -0.13 0.00 0.00 32.58 28.82 3fg1 s HIS 839 CO 0.31 -1.11 1.68 1.25 -2.47 0.00 0.00 174.74 174.41 3fg1 h LEU 840 N 9.77 -0.07 -0.63 8.88 5.85 -1.87 -0.04 115.31 137.20 3fg1 h LEU 840 Ca -0.28 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.41 3fg1 h LEU 840 Cb 1.09 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3fg1 h LEU 840 CO 1.00 -0.01 0.41 -0.65 -0.34 0.00 0.00 178.44 178.86 3fg1 h PRO 841 N -0.14 0.81 -0.58 5.25 0.11 -1.96 -0.17 132.00 135.32 3fg1 h PRO 841 Ca -0.01 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 3fg1 h PRO 841 Cb 0.11 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.02 3fg1 h PRO 841 CO 0.01 0.54 0.11 -0.91 -0.21 0.00 0.00 178.00 177.54 3fg1 h ASN 842 N 0.83 0.86 -0.28 -2.05 -0.26 -1.86 -1.54 115.58 111.29 3fg1 h ASN 842 Ca 0.23 -0.18 -0.09 0.00 -0.56 0.00 0.00 56.30 55.70 3fg1 h ASN 842 Cb -0.08 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 36.95 3fg1 h ASN 842 CO -0.06 0.86 -0.19 0.00 -1.06 0.00 0.00 177.43 176.98 3fg1 h ALA 843 N 1.25 0.41 -0.68 -0.83 0.00 -0.57 -0.24 119.26 118.60 3fg1 h ALA 843 Ca 0.18 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3fg1 h ALA 843 Cb 0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3fg1 h ALA 843 CO 0.00 0.34 0.25 -0.07 0.00 0.00 0.00 179.25 179.77 3fg1 h LEU 844 N 0.37 0.95 -0.28 0.00 3.38 -0.96 -1.09 115.31 117.68 3fg1 h LEU 844 Ca 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3fg1 h LEU 844 Cb 0.73 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3fg1 h LEU 844 CO 0.05 0.88 0.13 0.50 0.09 0.00 0.00 178.44 180.09 3fg1 h LYS 845 N 0.97 0.41 -0.78 1.13 3.64 -1.21 -1.90 116.57 118.82 3fg1 h LYS 845 Ca 0.22 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.64 3fg1 h LYS 845 Cb 0.24 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.91 3fg1 h LYS 845 CO -0.01 0.41 0.41 -0.22 -2.27 0.00 0.00 179.45 177.76 3fg1 h LYS 846 N 0.31 0.65 0.00 1.90 3.64 -0.82 -1.00 116.57 121.25 3fg1 h LYS 846 Ca 0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3fg1 h LYS 846 Cb 0.14 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3fg1 h LYS 846 CO -0.01 0.43 0.00 0.54 -2.27 0.00 0.00 179.45 178.14 3fg1 n ARG 847 N -4.82 0.04 -1.82 1.90 1.74 -0.43 -4.91 116.66 108.35 3fg1 n ARG 847 Ca 0.13 0.21 -0.08 0.00 -0.77 0.00 0.00 57.85 57.34 3fg1 n ARG 847 Cb 0.31 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 30.16 3fg1 n ARG 847 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fg1 n GLY 848 N 0.47 0.39 0.65 -0.13 0.00 -0.38 -0.63 105.19 105.56 3fg1 n GLY 848 Ca 0.04 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.54 3fg1 n GLY 848 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fg1 n VAL 849 N -3.56 1.78 -0.04 1.61 0.24 -0.76 -4.27 118.33 113.33 3fg1 n VAL 849 Ca -0.09 -1.62 0.11 0.00 -2.04 0.00 0.00 64.34 60.70 3fg1 n VAL 849 Cb 0.46 0.01 0.25 0.00 -1.47 0.00 0.00 33.84 33.09 3fg1 n VAL 849 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3fg1 n ASP 850 N -0.35 3.55 -4.32 -1.34 5.75 -1.24 -4.83 116.55 113.77 3fg1 n ASP 850 Ca 0.16 -1.98 -0.45 0.00 -0.01 0.00 0.00 54.79 52.51 3fg1 n ASP 850 Cb 0.68 -0.34 -0.06 0.00 -1.03 0.00 0.00 41.12 40.37 3fg1 n ASP 850 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3fg1 s ASP 851 N -1.19 6.16 0.46 -1.12 -1.08 -1.26 -4.93 116.67 113.70 3fg1 s ASP 851 Ca 0.40 -1.68 0.32 0.00 -0.52 0.00 0.00 52.55 51.07 3fg1 s ASP 851 Cb 0.22 -2.19 1.52 0.00 -1.46 0.00 0.00 42.92 41.01 3fg1 s ASP 851 CO 0.30 -0.80 1.95 1.55 0.52 0.00 0.00 175.17 178.69 3fg1 h PRO 852 N 8.84 0.00 0.00 4.34 0.13 -1.88 0.48 132.00 143.91 3fg1 h PRO 852 Ca -0.29 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.72 3fg1 h PRO 852 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3fg1 h PRO 852 CO 0.99 0.00 -0.58 0.66 -0.23 0.00 0.00 178.00 178.85 3fg1 h SER 853 N 0.00 0.00 0.14 1.44 4.64 -2.00 -3.10 113.55 114.67 3fg1 h SER 853 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3fg1 h SER 853 Cb 0.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.26 3fg1 h SER 853 CO 0.00 0.58 -2.19 0.29 -0.87 0.00 0.00 176.83 174.64 3fg1 n LYS 854 N -3.42 0.68 -3.72 4.77 5.02 -0.72 -4.74 118.16 116.02 3fg1 n LYS 854 Ca 0.00 0.14 -0.29 0.00 -2.02 0.00 0.00 58.31 56.15 3fg1 n LYS 854 Cb 0.69 -1.62 -0.13 0.00 -0.02 0.00 0.00 35.03 33.95 3fg1 n LYS 854 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3fg1 s LEU 855 N -6.11 2.97 0.76 -0.35 2.96 0.08 -4.70 118.68 114.29 3fg1 s LEU 855 Ca -0.16 -2.88 -0.08 0.00 -0.22 0.00 0.00 54.13 50.79 3fg1 s LEU 855 Cb 0.07 -1.10 0.08 0.00 0.50 0.00 0.00 46.19 45.75 3fg1 s LEU 855 CO 0.77 -0.23 1.08 -2.16 -1.32 0.00 0.00 176.35 174.49 3fg1 s PRO 856 N 0.02 1.94 -0.74 0.98 0.04 -1.17 -4.29 135.00 131.78 3fg1 s PRO 856 Ca 0.20 -0.25 -0.03 0.00 0.04 0.00 0.00 61.00 60.96 3fg1 s PRO 856 Cb -0.19 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3fg1 s PRO 856 CO -0.04 -1.46 0.45 0.41 0.04 0.00 0.00 177.00 176.40 3fg1 n GLY 857 N -3.09 0.13 2.96 0.56 0.00 -1.26 -4.93 105.19 99.56 3fg1 n GLY 857 Ca 0.09 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 3fg1 n GLY 857 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fg1 s PHE 858 N -3.00 3.30 -0.06 1.61 5.36 -1.26 -4.84 117.98 119.08 3fg1 s PHE 858 Ca 0.22 -3.15 0.13 0.00 -0.96 0.00 0.00 56.93 53.17 3fg1 s PHE 858 Cb -0.10 -2.86 -0.11 0.00 -0.34 0.00 0.00 43.02 39.61 3fg1 s PHE 858 CO 0.27 -0.72 1.09 1.88 -1.46 0.00 0.00 175.22 176.29 3fg1 h TYR 859 N 6.34 0.00 -0.45 10.12 -1.99 -1.94 -2.40 116.97 126.65 3fg1 h TYR 859 Ca -0.02 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.78 3fg1 h TYR 859 Cb 0.87 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.54 3fg1 h TYR 859 CO 0.58 0.73 0.09 -0.92 -0.00 0.00 0.00 178.16 178.64 3fg1 h TYR 860 N 0.00 0.14 0.31 4.88 3.20 -1.93 0.19 116.97 123.76 3fg1 h TYR 860 Ca -0.10 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 3fg1 h TYR 860 Cb 1.64 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.91 3fg1 h TYR 860 CO 0.00 0.00 -0.22 -0.09 -1.64 0.00 0.00 178.16 176.21 3fg1 h ARG 861 N 0.22 -0.51 -0.19 1.82 2.43 -1.84 0.42 114.38 116.73 3fg1 h ARG 861 Ca 0.22 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3fg1 h ARG 861 Cb 0.28 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3fg1 h ARG 861 CO -0.29 -0.34 0.04 -0.44 -1.51 0.00 0.00 179.97 177.43 3fg1 h ASP 862 N -0.53 0.29 -0.16 -3.80 3.45 -1.11 0.58 116.42 115.15 3fg1 h ASP 862 Ca -0.02 -0.25 -0.14 0.00 0.43 0.00 0.00 57.03 57.05 3fg1 h ASP 862 Cb 0.46 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3fg1 h ASP 862 CO 0.00 0.47 -0.43 0.44 -1.57 0.00 0.00 179.24 178.15 3fg1 h ASP 863 N 0.11 0.65 -0.52 6.45 3.32 -1.03 -2.59 116.42 122.81 3fg1 h ASP 863 Ca 0.06 -0.58 0.07 0.00 0.02 0.00 0.00 57.03 56.59 3fg1 h ASP 863 Cb 0.30 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 3fg1 h ASP 863 CO 0.00 1.12 0.20 1.23 -1.72 0.00 0.00 179.24 180.07 3fg1 h GLY 864 N 0.22 0.71 1.36 2.75 0.00 -0.83 -0.98 103.07 106.29 3fg1 h GLY 864 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3fg1 h GLY 864 CO 0.09 0.02 -0.12 1.41 0.00 0.00 0.00 176.54 177.94 3fg1 h LEU 865 N 0.39 0.75 -0.34 3.11 3.38 -0.84 0.12 115.31 121.88 3fg1 h LEU 865 Ca 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3fg1 h LEU 865 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3fg1 h LEU 865 CO -0.24 0.89 0.16 0.00 0.09 0.00 0.00 178.44 179.33 3fg1 h ALA 866 N 1.18 0.44 -0.29 1.53 0.00 -1.08 -1.81 119.26 119.23 3fg1 h ALA 866 Ca 0.12 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3fg1 h ALA 866 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3fg1 h ALA 866 CO 0.04 0.01 -0.44 -0.07 0.00 0.00 0.00 179.25 178.79 3fg1 h LEU 867 N 0.41 0.79 -0.16 0.00 3.38 -0.98 -1.90 115.31 116.86 3fg1 h LEU 867 Ca 0.12 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.75 3fg1 h LEU 867 Cb 0.13 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3fg1 h LEU 867 CO -0.01 1.11 -0.09 -0.25 0.09 0.00 0.00 178.44 179.29 3fg1 h TRP 868 N 0.59 -0.21 -0.59 1.13 2.91 -0.67 -0.82 115.95 118.29 3fg1 h TRP 868 Ca 0.04 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.05 3fg1 h TRP 868 Cb 0.99 0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 29.73 3fg1 h TRP 868 CO 0.05 -0.14 0.27 1.49 -1.03 0.00 0.00 178.44 179.09 3fg1 h GLU 869 N -0.08 0.86 -0.63 2.65 4.22 -1.22 0.88 114.58 121.26 3fg1 h GLU 869 Ca 0.09 -0.13 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 3fg1 h GLU 869 Cb 0.21 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3fg1 h GLU 869 CO -0.21 0.71 0.31 0.00 -2.18 0.00 0.00 179.01 177.64 3fg1 h ALA 870 N 1.11 0.81 -0.28 2.92 0.00 -1.01 -0.83 119.26 121.97 3fg1 h ALA 870 Ca 0.20 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3fg1 h ALA 870 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3fg1 h ALA 870 CO -0.02 0.36 -0.13 0.82 0.00 0.00 0.00 179.25 180.28 3fg1 h ILE 871 N 0.86 1.29 -0.63 0.00 2.04 -0.88 -1.89 117.51 118.30 3fg1 h ILE 871 Ca 0.22 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 3fg1 h ILE 871 Cb 0.10 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3fg1 h ILE 871 CO -0.03 0.38 0.38 -0.08 0.00 0.00 0.00 178.15 178.81 3fg1 h GLU 872 N 0.32 0.86 -0.22 2.37 4.81 -0.70 0.06 114.58 122.07 3fg1 h GLU 872 Ca 0.06 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3fg1 h GLU 872 Cb 0.64 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3fg1 h GLU 872 CO 0.04 0.62 0.13 1.15 -0.73 0.00 0.00 179.01 180.21 3fg1 h THR 873 N 0.86 1.11 0.19 0.32 2.02 -1.02 -0.25 112.91 116.14 3fg1 h THR 873 Ca 0.23 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3fg1 h THR 873 Cb -0.02 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3fg1 h THR 873 CO -0.04 0.10 -0.16 0.15 0.37 0.00 0.00 175.52 175.94 3fg1 h PHE 874 N 0.26 -0.43 -0.48 3.16 3.57 -1.09 -1.53 116.94 120.41 3fg1 h PHE 874 Ca 0.08 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.60 3fg1 h PHE 874 Cb 0.06 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3fg1 h PHE 874 CO -0.04 -0.25 0.29 0.82 -2.23 0.00 0.00 178.31 176.90 3fg1 h ILE 875 N -0.37 1.06 -0.98 1.41 2.04 -0.83 -0.96 117.51 118.87 3fg1 h ILE 875 Ca -0.00 -0.20 0.10 0.00 1.00 0.00 0.00 64.86 65.76 3fg1 h ILE 875 Cb 0.34 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 3fg1 h ILE 875 CO -0.02 0.11 0.61 1.23 0.00 0.00 0.00 178.15 180.07 3fg1 h GLY 876 N 0.58 1.57 1.12 5.37 0.00 -0.89 0.88 103.07 111.70 3fg1 h GLY 876 Ca 0.19 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 3fg1 h GLY 876 CO -0.08 0.19 -0.30 0.83 0.00 0.00 0.00 176.54 177.18 3fg1 h GLU 877 N 1.00 0.98 -0.33 4.80 5.08 -0.50 -1.37 114.58 124.24 3fg1 h GLU 877 Ca 0.47 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3fg1 h GLU 877 Cb 0.40 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3fg1 h GLU 877 CO -0.24 1.13 0.15 0.82 -1.00 0.00 0.00 179.01 179.87 3fg1 h ILE 878 N 0.82 1.17 -0.74 3.13 1.08 -0.73 -2.60 117.51 119.64 3fg1 h ILE 878 Ca 0.09 -0.49 0.08 0.00 -0.39 0.00 0.00 64.86 64.15 3fg1 h ILE 878 Cb 0.88 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 35.46 3fg1 h ILE 878 CO 0.08 0.18 0.41 0.40 -0.69 0.00 0.00 178.15 178.52 3fg1 h ILE 879 N 0.39 0.92 0.00 -0.67 2.04 -0.69 -2.14 117.51 117.36 3fg1 h ILE 879 Ca 0.11 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3fg1 h ILE 879 Cb 0.14 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3fg1 h ILE 879 CO -0.01 0.13 -0.18 0.00 0.00 0.00 0.00 178.15 178.09 3fg1 h ALA 880 N 1.40 1.35 -0.25 1.87 0.00 -1.04 0.29 119.26 122.88 3fg1 h ALA 880 Ca 0.35 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3fg1 h ALA 880 Cb 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3fg1 h ALA 880 CO -0.22 0.22 -0.29 0.82 0.00 0.00 0.00 179.25 179.78 3fg1 h ILE 881 N 0.00 1.31 0.00 0.00 2.04 -1.00 -3.38 117.51 116.49 3fg1 h ILE 881 Ca -0.00 -1.46 -0.15 0.00 1.00 0.00 0.00 64.86 64.24 3fg1 h ILE 881 Cb 0.41 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 3fg1 h ILE 881 CO 0.02 0.46 -2.11 0.49 0.00 0.00 0.00 178.15 177.01 3fg1 n PHE 882 N -4.30 0.06 -4.00 1.37 3.01 -0.90 -4.84 117.46 107.86 3fg1 n PHE 882 Ca -0.05 0.02 -0.34 0.00 1.01 0.00 0.00 57.45 58.09 3fg1 n PHE 882 Cb 0.47 -0.73 -0.15 0.00 -0.01 0.00 0.00 39.48 39.06 3fg1 n PHE 882 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3fg1 s TYR 883 N -3.09 3.00 -0.74 1.38 1.51 0.97 -4.88 117.35 115.50 3fg1 s TYR 883 Ca -0.08 -1.55 0.24 0.00 -1.01 0.00 0.00 57.07 54.67 3fg1 s TYR 883 Cb 0.11 -2.02 0.38 0.00 -0.11 0.00 0.00 41.96 40.31 3fg1 s TYR 883 CO 0.87 -0.74 1.33 1.63 -1.11 0.00 0.00 175.55 177.54 3fg1 n LYS 884 N 4.66 0.21 -3.91 -0.62 4.76 -1.26 -4.30 118.16 117.69 3fg1 n LYS 884 Ca -0.18 0.05 -0.02 0.00 -2.87 0.00 0.00 58.31 55.29 3fg1 n LYS 884 Cb 0.48 -1.62 0.02 0.00 -1.84 0.00 0.00 35.03 32.07 3fg1 n LYS 884 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3fg1 s ASN 885 N -3.83 0.01 0.36 4.39 2.20 -1.26 -5.05 114.94 111.76 3fg1 s ASN 885 Ca 0.07 -0.61 0.12 0.00 -0.94 0.00 0.00 52.86 51.50 3fg1 s ASN 885 Cb 0.15 0.44 0.67 0.00 -2.00 0.00 0.00 41.25 40.51 3fg1 s ASN 885 CO 0.72 -0.88 1.80 0.44 -2.94 0.00 0.00 177.10 176.23 3fg1 h ASP 886 N 2.00 0.00 -0.86 3.54 3.32 -1.93 -2.84 116.42 119.65 3fg1 h ASP 886 Ca -0.27 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.79 3fg1 h ASP 886 Cb 1.21 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 3fg1 h ASP 886 CO 0.36 0.41 0.57 0.44 -1.72 0.00 0.00 179.24 179.30 3fg1 h ASP 887 N 0.00 0.99 -0.72 6.45 3.32 -1.97 -1.01 116.42 123.48 3fg1 h ASP 887 Ca -0.00 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3fg1 h ASP 887 Cb 0.72 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 3fg1 h ASP 887 CO 0.05 0.72 0.43 0.44 -1.72 0.00 0.00 179.24 179.16 3fg1 h ASP 888 N 1.17 0.88 -0.06 6.45 3.32 -1.91 0.97 116.42 127.24 3fg1 h ASP 888 Ca 0.32 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3fg1 h ASP 888 Cb -0.13 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 3fg1 h ASP 888 CO -0.07 0.69 -0.01 0.58 -1.72 0.00 0.00 179.24 178.71 3fg1 h VAL 889 N 1.01 1.29 -0.78 -1.35 2.07 -1.41 -2.80 116.25 114.29 3fg1 h VAL 889 Ca 0.26 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.89 3fg1 h VAL 889 Cb -0.02 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3fg1 h VAL 889 CO -0.05 0.25 0.51 0.11 0.02 0.00 0.00 177.57 178.42 3fg1 h LYS 890 N -0.23 0.93 0.00 1.57 1.57 -0.73 -2.32 116.57 117.37 3fg1 h LYS 890 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3fg1 h LYS 890 Cb 0.41 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3fg1 h LYS 890 CO 0.01 0.62 0.00 0.54 -0.57 0.00 0.00 179.45 180.04 3fg1 n ARG 891 N -4.45 0.16 -2.53 3.15 1.74 0.29 -4.68 116.66 110.35 3fg1 n ARG 891 Ca 0.10 0.14 -0.41 0.00 -0.77 0.00 0.00 57.85 56.91 3fg1 n ARG 891 Cb 0.11 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.83 3fg1 n ARG 891 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fg1 s ASP 892 N -3.95 6.29 0.48 0.55 2.15 -0.87 -4.80 116.67 116.51 3fg1 s ASP 892 Ca 0.12 -0.97 0.20 0.00 0.43 0.00 0.00 52.55 52.33 3fg1 s ASP 892 Cb 0.15 -2.56 1.19 0.00 -0.30 0.00 0.00 42.92 41.40 3fg1 s ASP 892 CO 0.57 -1.70 2.02 -0.55 -0.17 0.00 0.00 175.17 175.33 3fg1 h ASN 893 N 10.06 0.00 -0.13 -0.34 7.08 -1.86 -2.06 115.58 128.33 3fg1 h ASN 893 Ca -0.01 0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 53.11 3fg1 h ASN 893 Cb 1.03 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.27 3fg1 h ASN 893 CO 1.36 0.17 -0.29 -0.33 -2.08 0.00 0.00 177.43 176.25 3fg1 h GLU 894 N 0.00 0.43 -0.13 4.14 5.08 -1.88 0.09 114.58 122.31 3fg1 h GLU 894 Ca -0.00 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 57.98 3fg1 h GLU 894 Cb 0.35 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3fg1 h GLU 894 CO 0.02 0.90 -0.31 0.97 -1.00 0.00 0.00 179.01 179.59 3fg1 h ILE 895 N 0.03 1.27 -0.13 3.13 6.09 -1.81 0.63 117.51 126.71 3fg1 h ILE 895 Ca 0.00 -1.27 -0.03 0.00 -1.37 0.00 0.00 64.86 62.19 3fg1 h ILE 895 Cb 0.89 1.52 -0.00 0.00 0.47 0.00 0.00 36.82 39.70 3fg1 h ILE 895 CO 0.06 0.38 -0.02 1.56 -3.07 0.00 0.00 178.15 177.06 3fg1 h GLN 896 N 0.22 0.24 -0.82 2.19 1.08 -1.35 -2.44 115.11 114.22 3fg1 h GLN 896 Ca 0.03 -0.09 0.05 0.00 -1.45 0.00 0.00 58.65 57.19 3fg1 h GLN 896 Cb 0.66 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 28.03 3fg1 h GLN 896 CO 0.05 0.52 0.54 0.77 -0.95 0.00 0.00 178.83 179.76 3fg1 h SER 897 N -0.06 0.83 0.08 1.46 0.02 -0.70 -1.66 113.55 113.51 3fg1 h SER 897 Ca 0.03 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3fg1 h SER 897 Cb 0.43 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3fg1 h SER 897 CO 0.01 0.55 -0.04 -0.25 -1.14 0.00 0.00 176.83 175.96 3fg1 h TRP 898 N 0.95 -0.10 -0.14 3.45 7.01 -0.73 -0.77 115.95 125.61 3fg1 h TRP 898 Ca 0.34 -0.00 -0.19 0.00 2.11 0.00 0.00 58.89 61.15 3fg1 h TRP 898 Cb 0.15 0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.24 3fg1 h TRP 898 CO -0.00 -0.01 -0.68 0.97 -2.79 0.00 0.00 178.44 175.93 3fg1 h ILE 899 N -0.16 1.33 -0.54 2.65 6.09 -1.37 -3.10 117.51 122.41 3fg1 h ILE 899 Ca -0.01 -1.97 -0.06 0.00 -1.37 0.00 0.00 64.86 61.45 3fg1 h ILE 899 Cb 0.13 1.95 -0.02 0.00 0.47 0.00 0.00 36.82 39.35 3fg1 h ILE 899 CO 0.02 0.61 0.08 0.22 -3.07 0.00 0.00 178.15 176.01 3fg1 h TYR 900 N 0.42 0.89 -0.89 2.19 3.20 -1.24 0.09 116.97 121.64 3fg1 h TYR 900 Ca -0.02 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 3fg1 h TYR 900 Cb 1.27 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 3fg1 h TYR 900 CO 0.06 0.77 0.51 0.22 -1.64 0.00 0.00 178.16 178.08 3fg1 h ASP 901 N 0.81 1.09 -0.27 -2.11 3.58 -1.12 0.11 116.42 118.52 3fg1 h ASP 901 Ca 0.17 -0.09 -0.14 0.00 0.42 0.00 0.00 57.03 57.40 3fg1 h ASP 901 Cb 0.37 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 3fg1 h ASP 901 CO 0.01 0.86 -0.37 0.58 -2.88 0.00 0.00 179.24 177.44 3fg1 h VAL 902 N 1.24 1.30 -0.44 2.25 2.07 -1.35 -0.10 116.25 121.22 3fg1 h VAL 902 Ca 0.32 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 66.32 3fg1 h VAL 902 Cb -0.01 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3fg1 h VAL 902 CO -0.05 0.50 0.19 -0.74 0.02 0.00 0.00 177.57 177.48 3fg1 h HIS 903 N 0.46 0.34 0.11 1.57 -0.00 -0.32 -0.29 115.15 117.02 3fg1 h HIS 903 Ca 0.03 0.02 -0.36 0.00 -0.00 0.00 0.00 60.37 60.05 3fg1 h HIS 903 Cb 0.96 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 28.26 3fg1 h HIS 903 CO 0.08 0.15 -2.03 1.17 -0.00 0.00 0.00 177.93 177.30 3fg1 n LYS 904 N -4.96 0.75 -0.00 5.26 3.00 0.33 -4.58 118.16 117.96 3fg1 n LYS 904 Ca 0.03 0.25 0.03 0.00 -0.00 0.00 0.00 58.31 58.62 3fg1 n LYS 904 Cb 0.14 -1.69 -0.03 0.00 0.00 0.00 0.00 35.03 33.44 3fg1 n LYS 904 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3fg1 n ASN 905 N -3.44 0.54 -0.01 3.14 5.03 -0.08 -4.70 115.26 115.74 3fg1 n ASN 905 Ca -0.33 -0.57 -0.01 0.00 0.87 0.00 0.00 54.58 54.54 3fg1 n ASN 905 Cb 1.04 1.02 -0.00 0.00 -1.02 0.00 0.00 39.78 40.82 3fg1 n ASN 905 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fg1 n GLY 906 N 1.21 -0.45 3.15 7.41 0.00 -0.27 -4.40 105.19 111.84 3fg1 n GLY 906 Ca 0.01 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3fg1 n GLY 906 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fg1 n TRP 907 N -2.67 4.17 -2.30 1.61 7.02 -0.30 -0.03 117.44 124.94 3fg1 n TRP 907 Ca -0.01 -3.63 -0.42 0.00 -1.02 0.00 0.00 57.50 52.42 3fg1 n TRP 907 Cb 0.04 -1.40 -0.03 0.00 -2.42 0.00 0.00 31.31 27.51 3fg1 n TRP 907 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3fg1 s ARG 908 N -1.78 4.33 -1.02 -0.99 0.52 -1.26 -4.82 118.95 113.93 3fg1 s ARG 908 Ca 0.31 1.89 -0.23 0.00 -0.52 0.00 0.00 55.73 57.18 3fg1 s ARG 908 Cb -0.04 -3.49 0.05 0.00 0.52 0.00 0.00 34.95 31.99 3fg1 s ARG 908 CO -0.04 -0.48 1.46 0.08 0.02 0.00 0.00 175.30 176.35 3fg1 s VAL 909 N 1.96 3.91 0.55 3.52 1.01 -1.26 -4.96 120.40 125.12 3fg1 s VAL 909 Ca 0.61 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.94 3fg1 s VAL 909 Cb -0.30 -5.03 0.07 0.00 0.00 0.00 0.00 36.38 31.11 3fg1 s VAL 909 CO 0.27 -1.91 0.72 0.20 0.00 0.00 0.00 175.10 174.37 3fg1 s ASN 910 N 5.06 5.13 0.10 3.32 0.01 -1.26 -4.93 114.94 122.37 3fg1 s ASN 910 Ca 0.47 -0.83 -0.34 0.00 -0.71 0.00 0.00 52.86 51.45 3fg1 s ASN 910 Cb -0.00 0.17 -0.14 0.00 0.41 0.00 0.00 41.25 41.69 3fg1 s ASN 910 CO -0.10 -1.23 1.63 -2.65 -1.51 0.00 0.00 177.10 173.25 3fg1 n PRO 911 N -2.13 2.12 -0.44 -0.60 -0.02 -1.26 -1.25 135.00 131.42 3fg1 n PRO 911 Ca 0.13 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3fg1 n PRO 911 Cb 0.61 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3fg1 n PRO 911 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fg1 n GLY 912 N 3.59 0.73 3.82 -1.23 0.00 -1.26 -5.04 105.19 105.80 3fg1 n GLY 912 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3fg1 n GLY 912 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fg1 s HIS 913 N -2.89 3.68 0.92 1.61 3.76 -0.38 -4.94 115.29 117.06 3fg1 s HIS 913 Ca 0.00 0.93 -0.11 0.00 -0.15 0.00 0.00 55.06 55.73 3fg1 s HIS 913 Cb 0.00 -2.30 0.14 0.00 1.11 0.00 0.00 32.58 31.53 3fg1 s HIS 913 CO 0.00 0.58 1.10 -0.65 -0.85 0.00 0.00 174.74 174.92 3fg1 s GLN 914 N -0.81 1.04 0.46 1.40 -1.52 -0.37 -4.80 119.66 115.05 3fg1 s GLN 914 Ca 0.23 1.13 -0.25 0.00 -1.95 0.00 0.00 55.36 54.52 3fg1 s GLN 914 Cb -0.16 -1.76 -0.08 0.00 -0.22 0.00 0.00 33.01 30.79 3fg1 s GLN 914 CO 0.12 -2.48 1.39 -3.47 -0.25 0.00 0.00 175.29 170.60 3fg1 n ASP 915 N -4.09 3.06 -0.97 5.90 2.03 -1.26 -4.87 116.55 116.35 3fg1 n ASP 915 Ca 0.08 1.09 0.12 0.00 0.52 0.00 0.00 54.79 56.61 3fg1 n ASP 915 Cb 0.54 -1.58 0.21 0.00 -0.72 0.00 0.00 41.12 39.57 3fg1 n ASP 915 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3fg1 n HIS 916 N -0.35 0.24 -1.10 -0.67 8.25 -1.26 -4.66 115.22 115.67 3fg1 n HIS 916 Ca 0.06 -0.12 -0.04 0.00 -0.26 0.00 0.00 57.72 57.37 3fg1 n HIS 916 Cb 0.42 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 3fg1 n HIS 916 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fg1 n GLY 917 N 1.39 0.61 3.59 -1.41 0.00 -1.26 -0.55 105.19 107.55 3fg1 n GLY 917 Ca 0.17 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3fg1 n GLY 917 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg1 s VAL 918 N -1.92 5.01 0.61 1.61 1.01 -1.26 -4.51 120.40 120.95 3fg1 s VAL 918 Ca 0.00 0.63 -0.18 0.00 0.00 0.00 0.00 61.98 62.43 3fg1 s VAL 918 Cb 0.00 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3fg1 s VAL 918 CO 0.00 -0.10 1.19 -2.16 0.00 0.00 0.00 175.10 174.02 3fg1 s PRO 919 N 2.43 2.91 0.09 2.72 0.04 -1.26 -4.80 135.00 137.12 3fg1 s PRO 919 Ca 0.21 1.74 0.27 0.00 0.04 0.00 0.00 61.00 63.25 3fg1 s PRO 919 Cb -0.15 -1.93 0.83 0.00 0.04 0.00 0.00 34.50 33.29 3fg1 s PRO 919 CO 0.12 -1.24 1.69 0.00 0.04 0.00 0.00 177.00 177.61 3fg1 n ALA 920 N -1.78 2.62 -3.70 8.56 0.00 -1.26 -4.46 120.51 120.49 3fg1 n ALA 920 Ca 0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 3fg1 n ALA 920 Cb 0.50 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 3fg1 n ALA 920 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fg1 s SER 921 N -3.69 -0.34 -0.15 0.00 1.04 -1.26 -4.06 113.70 105.24 3fg1 s SER 921 Ca 0.11 -0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.14 3fg1 s SER 921 Cb 0.16 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.89 3fg1 s SER 921 CO 0.61 -1.13 -0.06 -0.36 0.98 0.00 0.00 173.24 173.28 3fg1 s PHE 922 N -3.72 2.96 -0.33 5.02 2.99 -1.26 -5.00 117.98 118.65 3fg1 s PHE 922 Ca 0.08 -0.40 0.17 0.00 0.00 0.00 0.00 56.93 56.78 3fg1 s PHE 922 Cb -0.04 -1.93 -0.23 0.00 0.00 0.00 0.00 43.02 40.82 3fg1 s PHE 922 CO -0.00 -0.09 0.51 0.39 -0.00 0.00 0.00 175.22 176.03 3fg1 n GLU 923 N 3.54 0.90 -3.81 0.44 4.71 -1.26 -4.26 120.64 120.89 3fg1 n GLU 923 Ca -0.18 -0.09 -0.10 0.00 -0.01 0.00 0.00 57.16 56.78 3fg1 n GLU 923 Cb 0.53 -1.36 -0.06 0.00 -1.01 0.00 0.00 31.44 29.53 3fg1 n GLU 923 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3fg1 s SER 924 N -3.43 -0.05 0.26 1.62 1.04 -1.26 -4.76 113.70 107.13 3fg1 s SER 924 Ca -0.01 -0.61 -0.03 0.00 0.48 0.00 0.00 55.95 55.78 3fg1 s SER 924 Cb 0.12 0.44 0.32 0.00 0.10 0.00 0.00 66.02 67.00 3fg1 s SER 924 CO 0.71 -0.86 1.82 0.03 0.98 0.00 0.00 173.24 175.92 3fg1 h ARG 925 N 2.51 0.98 -0.65 4.02 3.08 -1.87 -2.41 114.38 120.04 3fg1 h ARG 925 Ca -0.33 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.48 3fg1 h ARG 925 Cb 1.23 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 3fg1 h ARG 925 CO 0.49 0.82 0.14 1.05 -1.07 0.00 0.00 179.97 181.40 3fg1 h GLU 926 N 0.95 1.03 -0.45 0.04 4.11 -1.99 0.08 114.58 118.35 3fg1 h GLU 926 Ca 0.22 -0.24 -0.07 0.00 0.07 0.00 0.00 59.36 59.34 3fg1 h GLU 926 Cb 0.23 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3fg1 h GLU 926 CO -0.01 0.92 0.03 0.37 0.07 0.00 0.00 179.01 180.38 3fg1 h GLN 927 N 0.98 0.77 -0.49 1.06 4.15 -1.93 -0.95 115.11 118.71 3fg1 h GLN 927 Ca 0.20 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 3fg1 h GLN 927 Cb 0.36 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3fg1 h GLN 927 CO 0.00 0.82 0.27 1.25 -1.93 0.00 0.00 178.83 179.25 3fg1 h LEU 928 N 0.62 0.60 -0.73 -2.39 5.85 -1.22 -1.92 115.31 116.13 3fg1 h LEU 928 Ca 0.13 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3fg1 h LEU 928 Cb 0.46 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3fg1 h LEU 928 CO 0.02 0.52 0.46 0.50 -0.34 0.00 0.00 178.44 179.60 3fg1 h LYS 929 N 0.64 0.89 -0.49 1.25 3.64 -0.75 -1.52 116.57 120.23 3fg1 h LYS 929 Ca 0.17 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 3fg1 h LYS 929 Cb 0.04 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3fg1 h LYS 929 CO -0.03 0.59 -0.22 1.49 -2.27 0.00 0.00 179.45 179.01 3fg1 h GLU 930 N 0.92 1.01 -0.24 1.90 4.81 -0.66 0.32 114.58 122.63 3fg1 h GLU 930 Ca 0.29 -0.43 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 3fg1 h GLU 930 Cb -0.01 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 3fg1 h GLU 930 CO -0.10 1.11 -0.26 0.28 -0.73 0.00 0.00 179.01 179.32 3fg1 h VAL 931 N 0.87 1.32 -0.62 0.32 2.07 -1.24 -1.62 116.25 117.35 3fg1 h VAL 931 Ca 0.11 -1.43 -0.09 0.00 0.82 0.00 0.00 66.70 66.11 3fg1 h VAL 931 Cb 0.80 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 3fg1 h VAL 931 CO 0.07 0.45 0.04 -0.07 0.02 0.00 0.00 177.57 178.08 3fg1 h LEU 932 N 0.30 1.02 -0.06 2.57 3.38 -1.12 -1.02 115.31 120.38 3fg1 h LEU 932 Ca 0.04 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3fg1 h LEU 932 Cb 0.82 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3fg1 h LEU 932 CO 0.06 1.04 0.03 0.74 0.09 0.00 0.00 178.44 180.40 3fg1 h THR 933 N 0.97 1.11 -0.50 0.22 2.02 -0.89 0.80 112.91 116.64 3fg1 h THR 933 Ca 0.18 -0.33 0.10 0.00 0.77 0.00 0.00 66.41 67.13 3fg1 h THR 933 Cb 0.50 1.23 -0.08 0.00 -1.74 0.00 0.00 68.15 68.05 3fg1 h THR 933 CO 0.02 0.10 -0.01 0.28 0.37 0.00 0.00 175.52 176.28 3fg1 h SER 934 N -0.03 -0.24 0.04 4.18 0.02 -1.08 0.28 113.55 116.72 3fg1 h SER 934 Ca 0.02 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3fg1 h SER 934 Cb 0.13 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3fg1 h SER 934 CO -0.00 -0.08 -0.02 0.25 -1.14 0.00 0.00 176.83 175.84 3fg1 h LEU 935 N 0.11 -0.04 -0.42 5.07 5.85 -0.99 -1.39 115.31 123.50 3fg1 h LEU 935 Ca 0.25 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3fg1 h LEU 935 Cb 0.39 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3fg1 h LEU 935 CO -0.43 0.26 0.14 0.58 -0.34 0.00 0.00 178.44 178.66 3fg1 h VAL 936 N -0.35 1.21 -0.98 1.05 2.07 -0.69 -0.19 116.25 118.38 3fg1 h VAL 936 Ca -0.01 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3fg1 h VAL 936 Cb 0.32 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3fg1 h VAL 936 CO 0.01 0.25 0.65 0.15 0.02 0.00 0.00 177.57 178.64 3fg1 h PHE 937 N 0.54 1.23 -0.17 1.57 3.57 -0.96 -2.48 116.94 120.23 3fg1 h PHE 937 Ca 0.14 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3fg1 h PHE 937 Cb 0.24 -0.42 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 3fg1 h PHE 937 CO 0.01 0.77 -0.08 1.15 -2.23 0.00 0.00 178.31 177.93 3fg1 h THR 938 N 1.32 1.31 -0.88 4.41 2.02 -0.71 0.15 112.91 120.54 3fg1 h THR 938 Ca 0.36 -1.13 0.13 0.00 0.77 0.00 0.00 66.41 66.54 3fg1 h THR 938 Cb -0.15 1.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.90 3fg1 h THR 938 CO -0.08 0.34 0.57 -0.26 0.37 0.00 0.00 175.52 176.45 3fg1 h PHE 939 N 0.02 0.82 0.00 3.16 0.05 -0.81 -2.32 116.94 117.86 3fg1 h PHE 939 Ca 0.04 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.85 3fg1 h PHE 939 Cb 0.56 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 38.25 3fg1 h PHE 939 CO 0.07 0.32 0.00 -1.13 -0.18 0.00 0.00 178.31 177.38 3fg1 n SER 940 N -4.55 0.00 0.05 2.17 3.41 -0.96 -2.56 113.62 111.18 3fg1 n SER 940 Ca 0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.65 3fg1 n SER 940 Cb 0.44 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.29 3fg1 n SER 940 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fg1 h GLN 942 N -0.36 0.10 -0.55 0.00 5.75 -1.13 -1.13 115.11 117.79 3fg1 h GLN 942 Ca -0.01 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 3fg1 h GLN 942 Cb 0.31 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.79 3fg1 h GLN 942 CO 0.02 0.20 0.24 1.25 -2.65 0.00 0.00 178.83 177.88 3fg1 h HIS 943 N -0.02 0.43 -0.20 3.99 2.76 -1.41 -2.04 115.15 118.67 3fg1 h HIS 943 Ca 0.02 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3fg1 h HIS 943 Cb 0.13 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 3fg1 h HIS 943 CO -0.03 0.17 0.10 0.00 -1.30 0.00 0.00 177.93 176.87 3fg1 h ALA 944 N 1.34 0.23 -0.62 5.26 0.00 -0.77 0.50 119.26 125.20 3fg1 h ALA 944 Ca 0.26 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3fg1 h ALA 944 Cb 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3fg1 h ALA 944 CO -0.22 -0.32 0.41 0.00 0.00 0.00 0.00 179.25 179.12 3fg1 h ALA 945 N 1.10 1.69 -0.01 0.00 0.00 -0.78 0.51 119.26 121.77 3fg1 h ALA 945 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fg1 h ALA 945 Cb 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3fg1 h ALA 945 CO -0.06 0.23 -0.71 1.33 0.00 0.00 0.00 179.25 180.05 3fg1 n VAL 946 N -4.47 0.00 -0.06 0.00 0.24 -0.80 -4.22 118.33 109.02 3fg1 n VAL 946 Ca 0.08 -0.09 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 3fg1 n VAL 946 Cb 0.16 0.94 -0.04 0.00 -1.47 0.00 0.00 33.84 33.43 3fg1 n VAL 946 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3fg1 n ASN 947 N -0.95 1.55 0.00 -1.34 2.85 0.15 -4.70 115.26 112.81 3fg1 n ASN 947 Ca 0.07 0.25 0.13 0.00 -0.11 0.00 0.00 54.58 54.92 3fg1 n ASN 947 Cb 0.38 -0.59 0.61 0.00 1.24 0.00 0.00 39.78 41.41 3fg1 n ASN 947 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3fg1 n PHE 948 N -4.04 0.00 0.98 1.20 3.01 0.15 -1.78 117.46 116.98 3fg1 n PHE 948 Ca -0.20 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.37 3fg1 n PHE 948 Cb 0.51 -0.44 0.54 0.00 -0.01 0.00 0.00 39.48 40.09 3fg1 n PHE 948 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3fg1 n SER 949 N -1.44 0.00 0.17 4.37 3.41 -1.25 -4.20 113.62 114.69 3fg1 n SER 949 Ca 0.08 0.15 0.03 0.00 -0.26 0.00 0.00 58.87 58.87 3fg1 n SER 949 Cb 0.28 -0.36 0.29 0.00 -0.26 0.00 0.00 64.21 64.16 3fg1 n SER 949 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3fg1 h GLN 950 N 0.00 0.00 -0.11 4.33 4.20 -1.63 -2.57 115.11 119.33 3fg1 h GLN 950 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fg1 h GLN 950 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 3fg1 h GLN 950 CO 0.00 0.46 0.06 -0.22 -0.67 0.00 0.00 178.83 178.46 3fg1 h LYS 951 N 0.00 0.15 -0.28 1.46 3.11 -1.82 0.01 116.57 119.20 3fg1 h LYS 951 Ca -0.00 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.74 3fg1 h LYS 951 Cb 0.94 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.12 3fg1 h LYS 951 CO 0.06 0.18 -0.17 -0.44 -2.81 0.00 0.00 179.45 176.27 3fg1 h ASP 952 N 0.07 0.48 0.02 4.20 3.45 -1.83 0.37 116.42 123.18 3fg1 h ASP 952 Ca 0.04 -0.14 -0.04 0.00 0.43 0.00 0.00 57.03 57.31 3fg1 h ASP 952 Cb 0.08 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 3fg1 h ASP 952 CO -0.01 0.68 -0.18 -0.74 -1.57 0.00 0.00 179.24 177.42 3fg1 h HIS 953 N 0.45 0.14 0.00 4.55 2.76 -1.35 -3.36 115.15 118.34 3fg1 h HIS 953 Ca 0.08 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3fg1 h HIS 953 Cb 0.56 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.51 3fg1 h HIS 953 CO 0.02 1.02 -1.13 0.66 -1.30 0.00 0.00 177.93 177.19 3fg1 n TYR 954 N -4.52 0.00 -0.35 5.26 4.02 -0.02 -4.15 117.16 117.41 3fg1 n TYR 954 Ca -0.11 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.86 3fg1 n TYR 954 Cb 0.53 -0.14 0.24 0.00 -0.02 0.00 0.00 39.34 39.94 3fg1 n TYR 954 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3fg1 h GLY 955 N 3.44 1.59 -7.40 2.72 0.00 -0.99 -3.28 103.07 99.15 3fg1 h GLY 955 Ca 0.00 -0.39 -0.73 0.00 0.00 0.00 0.00 47.33 46.21 3fg1 h GLY 955 CO 0.00 0.12 -0.39 -0.12 0.00 0.00 0.00 176.54 176.15 3fg1 s PHE 956 N -5.96 3.25 0.18 5.60 5.36 -1.26 -4.57 117.98 120.58 3fg1 s PHE 956 Ca -0.12 -0.87 -0.15 0.00 -0.96 0.00 0.00 56.93 54.83 3fg1 s PHE 956 Cb 0.22 -2.91 0.16 0.00 -0.34 0.00 0.00 43.02 40.15 3fg1 s PHE 956 CO 0.80 -0.72 1.66 1.15 -1.46 0.00 0.00 175.22 176.65 3fg1 h THR 957 N 5.75 0.54 -0.12 0.12 2.02 -1.85 -0.74 112.91 118.63 3fg1 h THR 957 Ca -0.27 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 66.93 3fg1 h THR 957 Cb 1.11 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3fg1 h THR 957 CO 0.81 0.01 0.22 -0.65 0.37 0.00 0.00 175.52 176.27 3fg1 h PRO 958 N 0.03 0.00 0.00 6.66 0.11 -1.92 0.11 132.00 137.00 3fg1 h PRO 958 Ca 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 3fg1 h PRO 958 Cb 0.37 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3fg1 h PRO 958 CO -0.47 0.00 -0.06 -0.97 -0.21 0.00 0.00 178.00 176.28 3fg1 h ASN 959 N 0.00 0.00 -0.13 -2.05 -0.73 -1.42 -3.39 115.58 107.86 3fg1 h ASN 959 Ca 0.06 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.06 3fg1 h ASN 959 Cb 0.50 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.95 3fg1 h ASN 959 CO -0.00 0.06 -0.38 0.00 -0.37 0.00 0.00 177.43 176.75 3fg1 n ALA 960 N -2.44 -2.05 -1.77 1.57 0.00 0.31 -5.01 120.51 111.11 3fg1 n ALA 960 Ca -0.03 -1.05 -0.40 0.00 0.00 0.00 0.00 53.44 51.96 3fg1 n ALA 960 Cb 0.15 -1.86 -0.01 0.00 0.00 0.00 0.00 19.45 17.73 3fg1 n ALA 960 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg1 s PRO 961 N 0.60 4.07 0.00 0.00 0.04 -0.70 -4.88 135.00 134.14 3fg1 s PRO 961 Ca 0.30 2.25 0.08 0.00 0.04 0.00 0.00 61.00 63.67 3fg1 s PRO 961 Cb 0.19 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 3fg1 s PRO 961 CO -0.18 -0.44 0.46 0.00 0.04 0.00 0.00 177.00 176.88 3fg1 n ALA 962 N 0.33 2.88 -2.66 8.56 0.00 -1.26 -3.21 120.51 125.15 3fg1 n ALA 962 Ca 0.02 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 3fg1 n ALA 962 Cb 0.42 -0.29 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 3fg1 n ALA 962 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fg1 s ILE 963 N -1.46 0.85 0.07 0.00 1.01 -1.26 -0.89 121.20 119.52 3fg1 s ILE 963 Ca 0.05 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.20 3fg1 s ILE 963 Cb 0.06 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 3fg1 s ILE 963 CO 0.26 0.17 -0.18 -0.76 0.00 0.00 0.00 174.94 174.43 3fg1 s LEU 964 N -0.45 2.23 0.00 2.97 1.43 -1.24 -3.48 118.68 120.13 3fg1 s LEU 964 Ca 0.03 -0.58 0.15 0.00 -1.03 0.00 0.00 54.13 52.70 3fg1 s LEU 964 Cb -0.05 -0.78 -0.00 0.00 0.03 0.00 0.00 46.19 45.39 3fg1 s LEU 964 CO -0.00 0.06 0.81 0.54 0.23 0.00 0.00 176.35 177.99 3fg1 n ARG 965 N 1.51 1.75 -4.16 1.70 1.74 0.13 -1.24 116.66 118.10 3fg1 n ARG 965 Ca -0.19 -0.77 -0.11 0.00 -0.77 0.00 0.00 57.85 56.01 3fg1 n ARG 965 Cb 0.54 -1.24 -0.10 0.00 -1.02 0.00 0.00 32.46 30.64 3fg1 n ARG 965 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3fg1 s HIS 966 N -1.78 0.87 0.86 -1.55 3.76 -1.26 -4.83 115.29 111.36 3fg1 s HIS 966 Ca 0.12 -0.89 -0.12 0.00 -0.15 0.00 0.00 55.06 54.02 3fg1 s HIS 966 Cb 0.12 -0.51 0.11 0.00 1.11 0.00 0.00 32.58 33.41 3fg1 s HIS 966 CO 0.37 -0.15 1.11 -1.25 -0.85 0.00 0.00 174.74 173.97 3fg1 s PRO 967 N -3.70 1.55 0.83 8.40 0.04 -1.26 -4.82 135.00 136.04 3fg1 s PRO 967 Ca 0.10 0.53 -0.12 0.00 0.04 0.00 0.00 61.00 61.56 3fg1 s PRO 967 Cb 0.04 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.80 3fg1 s PRO 967 CO -0.05 -1.97 1.10 -1.25 0.04 0.00 0.00 177.00 174.87 3fg1 s PRO 968 N -5.16 1.84 0.59 0.56 0.04 -1.26 -5.00 135.00 126.62 3fg1 s PRO 968 Ca 0.62 0.67 -0.17 0.00 0.04 0.00 0.00 61.00 62.17 3fg1 s PRO 968 Cb -0.15 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 3fg1 s PRO 968 CO 0.54 -1.80 1.10 -1.25 0.04 0.00 0.00 177.00 175.64 3fg1 s PRO 969 N -5.10 3.16 0.00 0.56 0.04 -1.26 -4.96 135.00 127.43 3fg1 s PRO 969 Ca 0.62 1.44 0.08 0.00 0.04 0.00 0.00 61.00 63.18 3fg1 s PRO 969 Cb -0.15 -1.99 0.22 0.00 0.04 0.00 0.00 34.50 32.61 3fg1 s PRO 969 CO 0.55 -0.97 1.14 1.63 0.04 0.00 0.00 177.00 179.38 3fg1 n LYS 970 N -1.85 2.52 -3.60 4.56 5.02 -1.26 -4.75 118.16 118.79 3fg1 n LYS 970 Ca 0.10 -1.81 -0.09 0.00 -2.02 0.00 0.00 58.31 54.50 3fg1 n LYS 970 Cb 0.52 -1.21 -0.02 0.00 -0.02 0.00 0.00 35.03 34.30 3fg1 n LYS 970 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3fg1 s LYS 971 N -0.96 1.31 0.52 1.97 -2.85 -1.26 -4.07 119.74 114.40 3fg1 s LYS 971 Ca 0.17 -0.60 -0.05 0.00 -1.00 0.00 0.00 55.97 54.49 3fg1 s LYS 971 Cb 0.09 0.53 -0.02 0.00 -2.06 0.00 0.00 37.83 36.37 3fg1 s LYS 971 CO 0.12 -0.59 0.82 0.15 0.10 0.00 0.00 175.35 175.96 3fg1 s LYS 972 N -3.60 3.27 0.00 1.78 1.02 -1.26 -4.42 119.74 116.53 3fg1 s LYS 972 Ca 0.06 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.13 3fg1 s LYS 972 Cb -0.02 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 3fg1 s LYS 972 CO -0.05 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 3fg1 n GLY 973 N -2.37 0.86 0.07 -3.33 0.00 -1.26 -4.96 105.19 94.19 3fg1 n GLY 973 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3fg1 n GLY 973 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fg1 h GLU 974 N 3.82 0.03 -6.58 1.61 5.08 -1.99 -3.47 114.58 113.07 3fg1 h GLU 974 Ca 0.00 -0.04 -0.53 0.00 -1.00 0.00 0.00 59.36 57.79 3fg1 h GLU 974 Cb 0.00 0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.28 3fg1 h GLU 974 CO 0.00 0.97 0.61 0.00 -1.00 0.00 0.00 179.01 179.59 3fg1 s ALA 975 N -2.69 3.47 0.29 3.43 0.00 -1.26 -4.96 121.76 120.04 3fg1 s ALA 975 Ca -0.00 0.98 0.07 0.00 0.00 0.00 0.00 51.96 53.01 3fg1 s ALA 975 Cb 0.09 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 3fg1 s ALA 975 CO 0.83 -0.47 -0.06 0.95 0.00 0.00 0.00 175.76 177.01 3fg1 s THR 976 N 0.59 1.72 0.27 0.00 -4.23 -1.26 -4.58 115.64 108.15 3fg1 s THR 976 Ca 0.58 -2.13 -0.00 0.00 -1.18 0.00 0.00 61.69 58.95 3fg1 s THR 976 Cb -0.33 -2.50 0.25 0.00 1.34 0.00 0.00 72.50 71.25 3fg1 s THR 976 CO 0.33 -0.27 1.78 0.25 -0.54 0.00 0.00 174.62 176.18 3fg1 h LEU 977 N 2.22 0.65 -0.52 4.79 5.85 -1.96 -0.62 115.31 125.72 3fg1 h LEU 977 Ca -0.40 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 3fg1 h LEU 977 Cb 1.24 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3fg1 h LEU 977 CO 0.68 0.30 0.04 -0.61 -0.34 0.00 0.00 178.44 178.51 3fg1 h GLN 978 N 0.73 0.89 -0.21 1.25 4.15 -1.96 -0.59 115.11 119.37 3fg1 h GLN 978 Ca 0.47 -0.26 -0.13 0.00 0.77 0.00 0.00 58.65 59.50 3fg1 h GLN 978 Cb 0.60 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 3fg1 h GLN 978 CO -0.33 0.90 -0.41 0.66 -1.93 0.00 0.00 178.83 177.72 3fg1 h SER 979 N 0.77 0.52 -0.05 -0.69 4.64 -1.81 -2.20 113.55 114.73 3fg1 h SER 979 Ca 0.15 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3fg1 h SER 979 Cb 0.47 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3fg1 h SER 979 CO 0.02 0.87 0.03 0.40 -0.87 0.00 0.00 176.83 177.28 3fg1 h ILE 980 N 0.41 1.09 -0.14 0.95 2.04 -0.91 -2.20 117.51 118.75 3fg1 h ILE 980 Ca 0.03 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3fg1 h ILE 980 Cb 0.89 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3fg1 h ILE 980 CO 0.08 0.08 -0.01 -0.07 0.00 0.00 0.00 178.15 178.22 3fg1 h LEU 981 N -0.02 0.17 -0.98 1.44 3.38 -0.92 -0.22 115.31 118.16 3fg1 h LEU 981 Ca 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3fg1 h LEU 981 Cb 0.10 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3fg1 h LEU 981 CO -0.00 0.22 -0.10 0.28 0.09 0.00 0.00 178.44 178.93 3fg1 h SER 982 N 0.19 0.00 0.21 -0.43 0.02 -1.22 -3.26 113.55 109.06 3fg1 h SER 982 Ca 0.05 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.65 3fg1 h SER 982 Cb 0.15 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 3fg1 h SER 982 CO 0.00 0.10 -1.94 0.41 -1.14 0.00 0.00 176.83 174.26 3fg1 n THR 983 N -3.19 1.73 -0.84 -2.27 -1.04 -0.50 -4.60 114.28 103.58 3fg1 n THR 983 Ca 0.01 -0.69 -0.32 0.00 -2.04 0.00 0.00 64.05 61.01 3fg1 n THR 983 Cb 0.41 -1.55 0.15 0.00 -1.82 0.00 0.00 70.33 67.52 3fg1 n THR 983 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3fg1 n LEU 984 N -3.37 2.92 -4.61 -4.42 4.77 -0.21 0.21 117.00 112.29 3fg1 n LEU 984 Ca -0.29 0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 3fg1 n LEU 984 Cb 1.05 -1.43 0.02 0.00 -2.33 0.00 0.00 43.42 40.73 3fg1 n LEU 984 CO 0.43 -2.33 0.56 -2.65 -1.33 0.00 0.00 177.39 172.08 3fg1 n PRO 985 N -3.39 1.28 -0.65 3.23 -0.02 -1.23 -4.62 135.00 129.60 3fg1 n PRO 985 Ca 0.11 0.46 -0.30 0.00 -2.02 0.00 0.00 63.50 61.76 3fg1 n PRO 985 Cb 0.52 -2.04 0.20 0.00 -0.02 0.00 0.00 33.50 32.15 3fg1 n PRO 985 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3fg1 s SER 986 N -0.80 2.21 0.24 2.55 1.04 -1.26 -4.70 113.70 112.98 3fg1 s SER 986 Ca 0.64 1.94 -0.06 0.00 0.48 0.00 0.00 55.95 58.95 3fg1 s SER 986 Cb -0.54 -2.47 0.42 0.00 0.10 0.00 0.00 66.02 63.53 3fg1 s SER 986 CO 0.56 -3.50 1.68 0.50 0.98 0.00 0.00 173.24 173.46 3fg1 h LYS 987 N -2.14 0.24 0.01 4.02 3.64 -1.97 0.77 116.57 121.13 3fg1 h LYS 987 Ca -0.50 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 58.67 3fg1 h LYS 987 Cb 1.29 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 3fg1 h LYS 987 CO 0.45 0.16 -0.91 0.66 -2.27 0.00 0.00 179.45 177.53 3fg1 h SER 988 N 0.25 0.11 -0.31 4.20 4.64 -1.99 -0.60 113.55 119.85 3fg1 h SER 988 Ca 0.39 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 3fg1 h SER 988 Cb 0.66 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3fg1 h SER 988 CO -0.50 0.96 0.13 1.56 -0.87 0.00 0.00 176.83 178.11 3fg1 h GLN 989 N 0.04 0.46 -0.18 4.77 4.20 -1.79 -1.46 115.11 121.15 3fg1 h GLN 989 Ca -0.03 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3fg1 h GLN 989 Cb 1.59 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 3fg1 h GLN 989 CO 0.13 0.47 0.09 0.00 -0.67 0.00 0.00 178.83 178.85 3fg1 h ALA 990 N 0.97 0.22 -0.90 3.87 0.00 -0.76 -1.90 119.26 120.77 3fg1 h ALA 990 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3fg1 h ALA 990 Cb 0.17 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3fg1 h ALA 990 CO -0.01 -0.33 0.54 0.00 0.00 0.00 0.00 179.25 179.45 3fg1 h ALA 991 N 1.09 1.29 -0.16 0.00 0.00 -0.99 -1.87 119.26 118.61 3fg1 h ALA 991 Ca 0.07 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3fg1 h ALA 991 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3fg1 h ALA 991 CO -0.04 0.19 -0.42 0.87 0.00 0.00 0.00 179.25 179.85 3fg1 h LYS 992 N 0.91 0.39 -0.44 0.00 1.57 -1.05 -0.92 116.57 117.02 3fg1 h LYS 992 Ca 0.43 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3fg1 h LYS 992 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3fg1 h LYS 992 CO -0.24 0.74 0.28 0.00 -0.57 0.00 0.00 179.45 179.67 3fg1 h ALA 993 N 1.24 0.55 -0.39 3.86 0.00 -0.64 -0.14 119.26 123.73 3fg1 h ALA 993 Ca 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fg1 h ALA 993 Cb 0.88 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3fg1 h ALA 993 CO 0.07 -0.01 0.24 0.82 0.00 0.00 0.00 179.25 180.37 3fg1 h ILE 994 N 0.58 1.13 -0.37 0.00 2.04 -1.11 -0.73 117.51 119.05 3fg1 h ILE 994 Ca 0.16 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.76 3fg1 h ILE 994 Cb -0.06 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3fg1 h ILE 994 CO -0.04 0.13 0.15 0.00 0.00 0.00 0.00 178.15 178.39 3fg1 h ALA 995 N 1.10 0.44 -0.08 1.87 0.00 -1.01 0.12 119.26 121.70 3fg1 h ALA 995 Ca 0.14 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3fg1 h ALA 995 Cb 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3fg1 h ALA 995 CO -0.03 -0.24 -0.09 1.15 0.00 0.00 0.00 179.25 180.04 3fg1 h THR 996 N 0.31 0.75 -0.69 0.00 2.02 -0.76 -1.95 112.91 112.59 3fg1 h THR 996 Ca 0.17 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.40 3fg1 h THR 996 Cb 0.13 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 3fg1 h THR 996 CO -0.16 0.00 0.39 0.58 0.37 0.00 0.00 175.52 176.71 3fg1 h VAL 997 N -0.12 0.99 -0.36 3.16 2.07 -0.83 -0.85 116.25 120.31 3fg1 h VAL 997 Ca 0.06 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.39 3fg1 h VAL 997 Cb 0.21 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 3fg1 h VAL 997 CO -0.15 0.13 0.01 0.22 0.02 0.00 0.00 177.57 177.81 3fg1 h TYR 998 N 0.73 0.01 -0.18 1.57 3.20 -0.29 -2.00 116.97 120.01 3fg1 h TYR 998 Ca 0.30 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 3fg1 h TYR 998 Cb 0.16 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3fg1 h TYR 998 CO -0.07 -0.05 0.06 0.82 -1.64 0.00 0.00 178.16 177.28 3fg1 h ILE 999 N 0.12 1.18 0.00 1.81 2.04 -0.88 -3.09 117.51 118.69 3fg1 h ILE 999 Ca 0.18 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3fg1 h ILE 999 Cb 0.24 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3fg1 h ILE 999 CO -0.28 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.22 3fg1 n LEU 1000N -4.83 0.73 -0.69 1.44 4.77 -0.37 -2.99 117.00 115.05 3fg1 n LEU 1000Ca -0.04 0.62 0.07 0.00 -0.03 0.00 0.00 56.01 56.63 3fg1 n LEU 1000Cb 0.14 -0.45 0.12 0.00 -2.33 0.00 0.00 43.42 40.90 3fg1 n LEU 1000CO 0.35 -0.36 0.56 0.35 -1.33 0.00 0.00 177.39 176.96 3fg1 n THR 1001N -2.23 0.40 -2.64 -5.08 -2.24 -0.77 -4.86 114.28 96.87 3fg1 n THR 1001Ca 0.04 -0.70 -0.43 0.00 -2.27 0.00 0.00 64.05 60.69 3fg1 n THR 1001Cb 0.33 0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 3fg1 n THR 1001CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fg1 s LYS 1002N -1.14 4.02 0.15 -0.78 2.20 -1.16 -5.00 119.74 118.04 3fg1 s LYS 1002Ca 0.23 1.00 -0.30 0.00 -0.36 0.00 0.00 55.97 56.54 3fg1 s LYS 1002Cb 0.14 -3.76 -0.07 0.00 -1.51 0.00 0.00 37.83 32.63 3fg1 s LYS 1002CO 0.19 -0.96 1.13 -0.06 -0.36 0.00 0.00 175.35 175.30 3fg1 s PHE 1003N 3.74 3.53 0.56 4.03 0.40 -1.26 -5.00 117.98 123.98 3fg1 s PHE 1003Ca 0.46 1.51 -0.18 0.00 -0.60 0.00 0.00 56.93 58.12 3fg1 s PHE 1003Cb -0.12 -3.33 -0.05 0.00 0.51 0.00 0.00 43.02 40.04 3fg1 s PHE 1003CO 0.17 -0.82 1.10 0.45 0.70 0.00 0.00 175.22 176.82 3fg1 s SER 1004N 0.19 5.75 0.56 1.36 0.15 -1.26 -4.92 113.70 115.52 3fg1 s SER 1004Ca 0.52 2.05 0.36 0.00 0.70 0.00 0.00 55.95 59.58 3fg1 s SER 1004Cb -0.30 -2.57 1.73 0.00 -1.71 0.00 0.00 66.02 63.18 3fg1 s SER 1004CO 0.34 -1.19 2.09 -0.33 1.20 0.00 0.00 173.24 175.35 3fg1 h GLU 1005N 0.98 0.00 -0.63 5.44 3.07 -1.96 -2.14 114.58 119.34 3fg1 h GLU 1005Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 3fg1 h GLU 1005Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 3fg1 h GLU 1005CO 0.57 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.78 3fg1 n ASP 1006N -2.96 5.21 -4.77 1.42 5.75 -1.26 -5.01 116.55 114.93 3fg1 n ASP 1006Ca -0.01 -2.64 -0.39 0.00 -0.01 0.00 0.00 54.79 51.73 3fg1 n ASP 1006Cb 0.19 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 3fg1 n ASP 1006CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3fg1 s GLU 1007N -2.22 3.89 -0.14 0.11 2.56 -0.81 -5.01 118.70 117.08 3fg1 s GLU 1007Ca 0.53 2.22 -0.01 0.00 0.00 0.00 0.00 54.97 57.70 3fg1 s GLU 1007Cb 0.37 -2.72 -0.02 0.00 2.00 0.00 0.00 34.13 33.76 3fg1 s GLU 1007CO 0.22 -0.58 -0.10 1.03 -0.56 0.00 0.00 175.26 175.27 3fg1 s ARG 1008N -2.30 3.49 0.58 4.30 0.52 -1.26 -5.05 118.95 119.22 3fg1 s ARG 1008Ca 0.58 -0.63 0.07 0.00 -0.52 0.00 0.00 55.73 55.23 3fg1 s ARG 1008Cb -0.39 -2.74 0.08 0.00 0.52 0.00 0.00 34.95 32.42 3fg1 s ARG 1008CO 0.50 0.22 0.79 0.71 0.02 0.00 0.00 175.30 177.55 3fg1 s TYR 1009N 0.37 1.81 0.07 -0.53 1.51 -1.26 -1.49 117.35 117.83 3fg1 s TYR 1009Ca -0.08 -0.52 -0.32 0.00 -1.01 0.00 0.00 57.07 55.14 3fg1 s TYR 1009Cb -0.15 -2.45 -0.11 0.00 -0.11 0.00 0.00 41.96 39.14 3fg1 s TYR 1009CO 0.05 -1.12 1.83 -0.11 -1.11 0.00 0.00 175.55 175.09 3fg1 n LEU 1010N -2.31 3.80 0.00 -1.29 7.94 0.13 -0.79 117.00 124.48 3fg1 n LEU 1010Ca 0.14 0.99 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 3fg1 n LEU 1010Cb 0.61 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 43.07 3fg1 n LEU 1010CO 0.41 0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.36 3fg1 n GLY 1011N 4.20 1.28 3.56 -3.96 0.00 -1.26 -4.89 105.19 104.12 3fg1 n GLY 1011Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3fg1 n GLY 1011CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fg1 s ASN 1012N -3.09 6.30 -0.34 1.61 3.84 0.03 -4.82 114.94 118.47 3fg1 s ASN 1012Ca 0.00 -0.22 0.07 0.00 0.21 0.00 0.00 52.86 52.92 3fg1 s ASN 1012Cb 0.00 -2.55 0.52 0.00 -0.55 0.00 0.00 41.25 38.67 3fg1 s ASN 1012CO 0.00 -1.64 1.54 -1.22 -2.79 0.00 0.00 177.10 172.99 3fg1 n TYR 1013N 8.81 1.60 0.31 0.43 4.01 -1.26 -4.69 117.16 126.36 3fg1 n TYR 1013Ca 0.05 -1.79 0.18 0.00 -0.16 0.00 0.00 57.90 56.18 3fg1 n TYR 1013Cb 0.49 -0.60 0.99 0.00 -0.31 0.00 0.00 39.34 39.91 3fg1 n TYR 1013CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3fg1 h SER 1014N 1.16 0.00 -0.68 7.72 4.64 -1.99 -2.64 113.55 121.76 3fg1 h SER 1014Ca 0.31 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.16 3fg1 h SER 1014Cb 1.74 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.52 3fg1 h SER 1014CO 0.58 0.02 -0.35 0.00 -0.87 0.00 0.00 176.83 176.21 3fg1 n ALA 1015N -2.20 5.06 -2.67 5.18 0.00 -1.26 -5.02 120.51 119.61 3fg1 n ALA 1015Ca -0.03 -3.59 -0.22 0.00 0.00 0.00 0.00 53.44 49.60 3fg1 n ALA 1015Cb 0.12 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 3fg1 n ALA 1015CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg1 s THR 1016N -4.32 3.71 -0.27 0.00 -4.23 -1.00 -4.94 115.64 104.60 3fg1 s THR 1016Ca 0.52 -1.64 0.13 0.00 -1.18 0.00 0.00 61.69 59.51 3fg1 s THR 1016Cb 0.43 -3.09 0.70 0.00 1.34 0.00 0.00 72.50 71.87 3fg1 s THR 1016CO 0.01 -0.31 1.68 0.00 -0.54 0.00 0.00 174.62 175.46 3fg1 n ALA 1017N -1.09 4.00 -1.77 3.99 0.00 -1.26 -5.00 120.51 119.39 3fg1 n ALA 1017Ca -0.06 -2.30 -0.40 0.00 0.00 0.00 0.00 53.44 50.68 3fg1 n ALA 1017Cb 0.59 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 3fg1 n ALA 1017CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fg1 s TRP 1018N -2.92 3.23 0.00 0.00 0.52 -1.26 -4.80 118.94 113.71 3fg1 s TRP 1018Ca 0.51 1.55 0.00 0.00 0.02 0.00 0.00 56.10 58.18 3fg1 s TRP 1018Cb 0.41 -3.47 0.00 0.00 -1.15 0.00 0.00 33.47 29.26 3fg1 s TRP 1018CO 0.12 -1.28 0.00 0.39 0.02 0.00 0.00 176.95 176.20 3fg1 n GLU 1019N 0.73 2.78 -1.82 4.98 -0.58 -1.26 -5.02 120.64 120.45 3fg1 n GLU 1019Ca 0.01 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.33 3fg1 n GLU 1019Cb 0.44 -0.85 -0.03 0.00 -0.57 0.00 0.00 31.44 30.43 3fg1 n GLU 1019CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3fg1 s ASP 1020N -2.43 6.51 0.31 1.62 -1.08 -1.26 -4.89 116.67 115.44 3fg1 s ASP 1020Ca 0.00 2.65 -0.01 0.00 -0.52 0.00 0.00 52.55 54.67 3fg1 s ASP 1020Cb 0.00 -2.57 0.49 0.00 -1.46 0.00 0.00 42.92 39.38 3fg1 s ASP 1020CO 0.00 -0.93 1.95 0.11 0.52 0.00 0.00 175.17 176.82 3fg1 h LYS 1021N 8.08 1.03 -0.23 4.34 1.79 -1.99 -1.29 116.57 128.30 3fg1 h LYS 1021Ca -0.44 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 57.81 3fg1 h LYS 1021Cb 1.21 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 3fg1 h LYS 1021CO 0.94 0.68 -0.50 -0.44 -1.08 0.00 0.00 179.45 179.05 3fg1 h ASP 1022N 1.06 0.71 -0.58 0.86 3.45 -1.99 -1.39 116.42 118.53 3fg1 h ASP 1022Ca 0.32 -0.36 -0.01 0.00 0.43 0.00 0.00 57.03 57.42 3fg1 h ASP 1022Cb -0.01 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.53 3fg1 h ASP 1022CO -0.09 1.09 0.34 0.00 -1.57 0.00 0.00 179.24 179.00 3fg1 h ALA 1023N 0.93 0.74 -0.79 3.45 0.00 -1.75 -1.13 119.26 120.71 3fg1 h ALA 1023Ca 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3fg1 h ALA 1023Cb 1.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3fg1 h ALA 1023CO 0.10 0.24 0.52 -0.07 0.00 0.00 0.00 179.25 180.05 3fg1 h LEU 1024N 0.79 0.90 -0.46 0.00 3.38 -1.03 -0.04 115.31 118.84 3fg1 h LEU 1024Ca 0.21 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3fg1 h LEU 1024Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3fg1 h LEU 1024CO -0.04 0.64 -0.26 0.44 0.09 0.00 0.00 178.44 179.32 3fg1 h ASP 1025N 1.06 1.02 -0.70 -0.43 3.32 -0.91 -1.30 116.42 118.48 3fg1 h ASP 1025Ca 0.29 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 3fg1 h ASP 1025Cb -0.10 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.14 3fg1 h ASP 1025CO -0.07 1.21 0.30 0.00 -1.72 0.00 0.00 179.24 178.96 3fg1 h ALA 1026N 0.84 1.17 -0.46 3.45 0.00 -0.47 -1.85 119.26 121.94 3fg1 h ALA 1026Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3fg1 h ALA 1026Cb 0.84 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3fg1 h ALA 1026CO 0.07 0.61 0.18 0.82 0.00 0.00 0.00 179.25 180.93 3fg1 h ILE 1027N 1.04 1.21 -0.62 0.00 2.04 -0.82 -1.57 117.51 118.78 3fg1 h ILE 1027Ca 0.24 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.52 3fg1 h ILE 1027Cb 0.18 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 3fg1 h ILE 1027CO -0.02 0.24 0.30 0.78 0.00 0.00 0.00 178.15 179.45 3fg1 h ASN 1028N 0.60 0.41 -0.54 1.72 2.35 -0.71 -0.80 115.58 118.61 3fg1 h ASN 1028Ca 0.15 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 3fg1 h ASN 1028Cb 0.20 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3fg1 h ASN 1028CO -0.01 0.26 0.05 0.03 -1.65 0.00 0.00 177.43 176.12 3fg1 h ARG 1029N 0.56 0.91 -0.18 0.81 3.08 -1.12 -1.40 114.38 117.04 3fg1 h ARG 1029Ca 0.29 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3fg1 h ARG 1029Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3fg1 h ARG 1029CO -0.22 0.90 0.10 0.35 -1.07 0.00 0.00 179.97 180.03 3fg1 h PHE 1030N 0.79 0.24 -0.70 3.04 3.57 -0.85 -1.10 116.94 121.93 3fg1 h PHE 1030Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3fg1 h PHE 1030Cb 0.46 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 3fg1 h PHE 1030CO 0.03 0.23 0.38 1.96 -2.23 0.00 0.00 178.31 178.68 3fg1 h GLN 1031N 0.18 0.98 -0.75 1.11 4.20 -1.04 -0.31 115.11 119.48 3fg1 h GLN 1031Ca 0.06 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3fg1 h GLN 1031Cb 0.07 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 3fg1 h GLN 1031CO -0.01 0.73 0.35 -0.44 -0.67 0.00 0.00 178.83 178.80 3fg1 h ASP 1032N 0.96 0.99 -0.51 1.46 3.32 -1.15 -0.81 116.42 120.67 3fg1 h ASP 1032Ca 0.24 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3fg1 h ASP 1032Cb 0.05 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3fg1 h ASP 1032CO -0.04 0.85 0.26 0.50 -1.72 0.00 0.00 179.24 179.09 3fg1 h LYS 1033N 1.06 0.72 -0.98 3.56 1.63 -0.85 -1.73 116.57 119.97 3fg1 h LYS 1033Ca 0.26 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 59.97 3fg1 h LYS 1033Cb 0.13 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.57 3fg1 h LYS 1033CO -0.03 0.58 0.65 -0.07 -3.45 0.00 0.00 179.45 177.13 3fg1 h LEU 1034N 0.68 1.13 -0.86 5.20 3.38 -0.84 -0.64 115.31 123.36 3fg1 h LEU 1034Ca 0.18 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3fg1 h LEU 1034Cb 0.09 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3fg1 h LEU 1034CO -0.03 0.81 0.57 -0.08 0.09 0.00 0.00 178.44 179.81 3fg1 h GLU 1035N 1.33 1.11 -0.38 1.13 4.81 -0.82 0.37 114.58 122.13 3fg1 h GLU 1035Ca 0.36 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 3fg1 h GLU 1035Cb -0.15 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 28.96 3fg1 h GLU 1035CO -0.08 0.73 0.03 0.22 -0.73 0.00 0.00 179.01 179.18 3fg1 h ASP 1036N 1.14 0.64 -0.47 1.04 3.58 -0.69 -1.89 116.42 119.77 3fg1 h ASP 1036Ca 0.33 -0.29 0.04 0.00 0.42 0.00 0.00 57.03 57.53 3fg1 h ASP 1036Cb -0.09 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 40.75 3fg1 h ASP 1036CO -0.08 0.77 0.23 0.40 -2.88 0.00 0.00 179.24 177.68 3fg1 h ILE 1037N 0.49 0.95 -0.19 2.25 2.04 -0.89 -1.39 117.51 120.77 3fg1 h ILE 1037Ca 0.11 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.87 3fg1 h ILE 1037Cb 0.42 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 3fg1 h ILE 1037CO 0.01 0.08 -0.21 0.28 0.00 0.00 0.00 178.15 178.31 3fg1 h SER 1038N 0.46 -0.68 -0.90 1.72 0.02 -0.78 -0.07 113.55 113.33 3fg1 h SER 1038Ca 0.21 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.29 3fg1 h SER 1038Cb 0.12 0.32 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 3fg1 h SER 1038CO -0.15 -0.26 0.59 0.11 -1.14 0.00 0.00 176.83 175.98 3fg1 h LYS 1039N -0.24 1.16 -0.67 3.45 1.57 -1.03 -0.94 116.57 119.87 3fg1 h LYS 1039Ca 0.12 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3fg1 h LYS 1039Cb 0.42 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3fg1 h LYS 1039CO -0.33 0.77 0.16 0.87 -0.57 0.00 0.00 179.45 180.35 3fg1 h LYS 1040N 1.20 1.07 -0.32 3.15 1.57 -0.89 -1.10 116.57 121.24 3fg1 h LYS 1040Ca 0.34 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3fg1 h LYS 1040Cb -0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3fg1 h LYS 1040CO -0.08 0.95 0.05 0.82 -0.57 0.00 0.00 179.45 180.62 3fg1 h ILE 1041N 1.00 1.24 -0.83 1.86 2.04 -0.72 -0.98 117.51 121.12 3fg1 h ILE 1041Ca 0.21 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 3fg1 h ILE 1041Cb 0.36 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3fg1 h ILE 1041CO 0.00 0.27 0.37 0.11 0.00 0.00 0.00 178.15 178.90 3fg1 h LYS 1042N 0.37 1.21 -0.76 2.37 1.57 -0.89 0.11 116.57 120.55 3fg1 h LYS 1042Ca 0.10 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3fg1 h LYS 1042Cb 0.35 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3fg1 h LYS 1042CO 0.01 0.95 0.35 1.96 -0.57 0.00 0.00 179.45 182.15 3fg1 h GLN 1043N 1.19 1.10 -0.20 3.15 4.20 -1.09 -1.47 115.11 121.98 3fg1 h GLN 1043Ca 0.28 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3fg1 h GLN 1043Cb 0.17 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3fg1 h GLN 1043CO -0.03 0.86 0.01 -0.09 -0.67 0.00 0.00 178.83 178.91 3fg1 h ARG 1044N 1.07 0.35 -0.03 1.46 1.12 -0.77 -2.89 114.38 114.69 3fg1 h ARG 1044Ca 0.26 -0.10 -0.02 0.00 -1.11 0.00 0.00 59.98 59.00 3fg1 h ARG 1044Cb 0.14 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.06 3fg1 h ARG 1044CO -0.03 0.53 -0.09 -0.91 -3.11 0.00 0.00 179.97 176.36 3fg1 h ASN 1045N 0.12 0.03 0.74 -3.80 2.35 -0.55 -2.42 115.58 112.06 3fg1 h ASN 1045Ca 0.06 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3fg1 h ASN 1045Cb 0.36 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3fg1 h ASN 1045CO 0.01 0.13 0.00 1.05 -1.65 0.00 0.00 177.43 176.97 3fg1 h GLU 1046N 0.04 0.00 -0.57 0.81 4.11 -1.05 -2.05 114.58 115.87 3fg1 h GLU 1046Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 3fg1 h GLU 1046Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3fg1 h GLU 1046CO 0.01 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.18 3fg1 n ASN 1047N -2.57 3.67 -4.89 3.06 3.02 -0.91 -4.97 115.26 111.67 3fg1 n ASN 1047Ca 0.01 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.22 3fg1 n ASN 1047Cb 0.23 -0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 38.98 3fg1 n ASN 1047CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fg1 s LEU 1048N -1.23 4.37 0.23 3.41 1.43 -0.77 -5.00 118.68 121.10 3fg1 s LEU 1048Ca 0.44 0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 53.86 3fg1 s LEU 1048Cb 0.24 -2.34 0.20 0.00 0.03 0.00 0.00 46.19 44.31 3fg1 s LEU 1048CO 0.32 0.33 1.90 -0.33 0.23 0.00 0.00 176.35 178.81 3fg1 h GLU 1049N 4.39 1.13 -3.30 1.70 5.08 -1.93 -3.36 114.58 118.28 3fg1 h GLU 1049Ca -0.52 -0.07 -0.60 0.00 -1.00 0.00 0.00 59.36 57.17 3fg1 h GLU 1049Cb 1.21 -0.25 -0.40 0.00 0.50 0.00 0.00 28.75 29.80 3fg1 h GLU 1049CO 0.64 0.75 -0.74 0.08 -1.00 0.00 0.00 179.01 178.73 3fg1 s VAL 1050N -6.12 1.25 0.32 3.13 1.01 -1.26 -5.12 120.40 113.62 3fg1 s VAL 1050Ca -0.13 -2.11 -0.26 0.00 0.00 0.00 0.00 61.98 59.49 3fg1 s VAL 1050Cb 0.16 -1.90 -0.14 0.00 0.00 0.00 0.00 36.38 34.50 3fg1 s VAL 1050CO 0.80 -0.80 0.72 -2.65 0.00 0.00 0.00 175.10 173.17 3fg1 n PRO 1051N 4.08 0.75 -3.58 2.72 -0.02 -1.26 -4.96 135.00 132.72 3fg1 n PRO 1051Ca 0.04 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.38 3fg1 n PRO 1051Cb 0.38 -1.53 -0.10 0.00 -0.02 0.00 0.00 33.50 32.23 3fg1 n PRO 1051CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fg1 s TYR 1052N -1.21 3.31 -0.80 6.00 5.04 -1.26 -4.96 117.35 123.47 3fg1 s TYR 1052Ca 0.62 -1.39 0.12 0.00 -2.44 0.00 0.00 57.07 53.97 3fg1 s TYR 1052Cb -0.71 -2.90 -0.08 0.00 0.35 0.00 0.00 41.96 38.62 3fg1 s TYR 1052CO 0.58 -0.82 0.60 0.44 -1.34 0.00 0.00 175.55 175.02 3fg1 n ILE 1053N 4.95 0.00 0.34 3.14 -5.35 -1.26 -4.66 119.36 116.53 3fg1 n ILE 1053Ca -0.11 -0.28 0.15 0.00 -0.27 0.00 0.00 62.75 62.24 3fg1 n ILE 1053Cb 0.43 1.06 0.55 0.00 -1.74 0.00 0.00 39.64 39.95 3fg1 n ILE 1053CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3fg1 h TYR 1054N 0.57 0.00 -0.44 4.28 0.99 -1.94 -2.45 116.97 117.98 3fg1 h TYR 1054Ca 0.00 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 3fg1 h TYR 1054Cb 0.34 0.00 -0.05 0.00 1.00 0.00 0.00 36.73 38.03 3fg1 h TYR 1054CO 0.00 0.00 0.06 1.28 -0.00 0.00 0.00 178.16 179.50 3fg1 n LEU 1055N -2.72 4.75 -4.72 3.88 4.77 -1.26 -4.50 117.00 117.20 3fg1 n LEU 1055Ca 0.02 -3.16 -0.42 0.00 -0.03 0.00 0.00 56.01 52.42 3fg1 n LEU 1055Cb 0.30 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 3fg1 n LEU 1055CO 0.25 0.78 1.09 -0.76 -1.33 0.00 0.00 177.39 177.42 3fg1 s LEU 1056N -2.92 4.38 0.39 2.23 1.43 -0.92 -4.93 118.68 118.35 3fg1 s LEU 1056Ca 0.48 2.46 0.14 0.00 -1.03 0.00 0.00 54.13 56.18 3fg1 s LEU 1056Cb 0.39 -3.60 0.99 0.00 0.03 0.00 0.00 46.19 44.00 3fg1 s LEU 1056CO 0.10 -0.68 1.85 -0.65 0.23 0.00 0.00 176.35 177.21 3fg1 h PRO 1057N 6.25 0.49 0.00 1.29 0.11 -1.92 0.10 132.00 138.33 3fg1 h PRO 1057Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3fg1 h PRO 1057Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3fg1 h PRO 1057CO 0.84 0.33 0.00 -0.85 -0.21 0.00 0.00 178.00 178.11 3fg1 n GLU 1058N -4.55 0.01 0.00 1.05 0.28 -1.26 -2.30 120.64 113.88 3fg1 n GLU 1058Ca 0.19 0.27 0.04 0.00 -0.16 0.00 0.00 57.16 57.50 3fg1 n GLU 1058Cb 0.63 -1.52 0.01 0.00 1.43 0.00 0.00 31.44 31.98 3fg1 n GLU 1058CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3fg1 n ARG 1059N -1.54 1.63 -3.41 3.44 1.74 0.31 -4.91 116.66 113.92 3fg1 n ARG 1059Ca 0.03 -0.67 -0.43 0.00 -0.77 0.00 0.00 57.85 56.01 3fg1 n ARG 1059Cb 0.17 -1.06 -0.09 0.00 -1.02 0.00 0.00 32.46 30.45 3fg1 n ARG 1059CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fg1 s ILE 1060N -1.04 5.21 0.68 0.55 1.01 -0.93 -4.96 121.20 121.72 3fg1 s ILE 1060Ca 0.08 -0.67 -0.17 0.00 0.00 0.00 0.00 60.65 59.88 3fg1 s ILE 1060Cb 0.07 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3fg1 s ILE 1060CO 0.17 -0.40 1.24 -2.65 0.00 0.00 0.00 174.94 173.31 3fg1 n PRO 1061N 5.28 0.91 0.06 2.79 -0.02 -1.26 0.17 135.00 142.92 3fg1 n PRO 1061Ca -0.10 0.37 0.13 0.00 -2.02 0.00 0.00 63.50 61.88 3fg1 n PRO 1061Cb 0.46 -2.48 0.61 0.00 -0.02 0.00 0.00 33.50 32.08 3fg1 n PRO 1061CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3fg1 h ASN 1062N 0.23 0.12 -4.79 2.55 2.35 -1.48 -3.40 115.58 111.17 3fg1 h ASN 1062Ca -0.50 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 54.73 3fg1 h ASN 1062Cb 1.33 -0.02 -0.12 0.00 0.05 0.00 0.00 38.32 39.56 3fg1 h ASN 1062CO 0.51 0.08 -0.45 0.61 -1.65 0.00 0.00 177.43 176.53 3fg1 n GLY 1063N -1.57 3.22 3.25 2.83 0.00 -1.26 -3.81 105.19 107.85 3fg1 n GLY 1063Ca 0.05 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 3fg1 n GLY 1063CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg1 s THR 1064N -3.07 4.65 0.00 2.61 2.01 -1.06 -4.66 115.64 116.13 3fg1 s THR 1064Ca 0.22 -1.86 0.00 0.00 0.31 0.00 0.00 61.69 60.36 3fg1 s THR 1064Cb 0.01 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3fg1 s THR 1064CO 0.16 -0.84 0.41 0.00 -0.69 0.00 0.00 174.62 173.66 3fg1 n ALA 1065N 4.80 1.88 -1.80 7.40 0.00 -1.26 -2.00 120.51 129.54 3fg1 n ALA 1065Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3fg1 n ALA 1065Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3fg1 n ALA 1065CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01