#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg1 s ALA 374 N 0.00 1.89 -0.22 1.57 0.00 0.17 -4.58 121.76 120.59 3fg1 s ALA 374 Ca 0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 51.96 50.35 3fg1 s ALA 374 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 3fg1 s ALA 374 CO 0.00 0.09 0.00 0.42 0.00 0.00 0.00 175.76 176.27 3fg1 s ILE 375 N -2.71 3.86 -0.24 0.00 1.01 -1.26 -1.61 121.20 120.25 3fg1 s ILE 375 Ca 0.19 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 3fg1 s ILE 375 Cb -0.02 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 3fg1 s ILE 375 CO 0.06 0.41 0.10 -0.31 0.00 0.00 0.00 174.94 175.19 3fg1 s TYR 376 N 1.25 3.16 -0.31 3.97 1.51 0.19 -1.73 117.35 125.39 3fg1 s TYR 376 Ca 0.04 -0.15 -0.25 0.00 -1.01 0.00 0.00 57.07 55.69 3fg1 s TYR 376 Cb -0.15 -2.23 0.01 0.00 -0.11 0.00 0.00 41.96 39.49 3fg1 s TYR 376 CO 0.01 -0.16 0.87 -0.80 -1.11 0.00 0.00 175.55 174.35 3fg1 s ASN 377 N 1.29 6.73 -0.19 2.29 0.01 -0.21 -1.26 114.94 123.60 3fg1 s ASN 377 Ca 0.05 0.75 -0.02 0.00 -0.71 0.00 0.00 52.86 52.93 3fg1 s ASN 377 Cb -0.15 -2.44 -0.00 0.00 0.41 0.00 0.00 41.25 39.07 3fg1 s ASN 377 CO 0.04 -0.70 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.15 3fg1 s VAL 378 N 3.16 2.99 -0.10 1.60 1.01 0.06 -1.18 120.40 127.94 3fg1 s VAL 378 Ca 0.36 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3fg1 s VAL 378 Cb -0.13 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3fg1 s VAL 378 CO 0.14 0.47 -0.19 -0.70 0.00 0.00 0.00 175.10 174.82 3fg1 s GLU 379 N 1.19 3.08 -0.10 2.72 2.12 0.13 0.02 118.70 127.86 3fg1 s GLU 379 Ca 0.02 -0.80 0.03 0.00 0.36 0.00 0.00 54.97 54.59 3fg1 s GLU 379 Cb -0.14 -2.41 -0.00 0.00 0.26 0.00 0.00 34.13 31.83 3fg1 s GLU 379 CO -0.04 0.25 -0.22 0.08 -0.54 0.00 0.00 175.26 174.79 3fg1 s VAL 380 N 0.21 2.24 -0.33 3.70 1.01 -0.26 -0.55 120.40 126.42 3fg1 s VAL 380 Ca -0.12 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 3fg1 s VAL 380 Cb -0.16 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 3fg1 s VAL 380 CO 0.06 0.55 0.19 -1.61 0.00 0.00 0.00 175.10 174.30 3fg1 s GLU 381 N 0.32 3.40 -0.03 2.72 2.02 0.01 -0.96 118.70 126.18 3fg1 s GLU 381 Ca -0.17 -0.69 -0.15 0.00 0.02 0.00 0.00 54.97 53.97 3fg1 s GLU 381 Cb -0.17 -3.68 -0.05 0.00 0.10 0.00 0.00 34.13 30.32 3fg1 s GLU 381 CO 0.08 -0.44 0.41 0.99 0.02 0.00 0.00 175.26 176.33 3fg1 s THR 382 N 1.66 5.06 0.85 3.63 2.01 -0.24 -0.03 115.64 128.58 3fg1 s THR 382 Ca 0.05 0.85 -0.11 0.00 0.31 0.00 0.00 61.69 62.78 3fg1 s THR 382 Cb -0.17 -3.73 0.11 0.00 0.01 0.00 0.00 72.50 68.72 3fg1 s THR 382 CO 0.08 0.53 1.16 -0.83 -0.69 0.00 0.00 174.62 174.88 3fg1 s GLY 383 N -0.74 1.89 0.10 4.40 0.00 -0.02 -2.26 107.32 110.69 3fg1 s GLY 383 Ca 0.24 0.67 0.27 0.00 0.00 0.00 0.00 44.72 45.89 3fg1 s GLY 383 CO 0.12 1.08 1.74 1.22 0.00 0.00 0.00 173.10 177.26 3fg1 n ASP 384 N -3.76 0.48 -4.75 1.64 8.00 -1.26 -0.87 116.55 116.03 3fg1 n ASP 384 Ca 0.12 0.41 -0.33 0.00 0.71 0.00 0.00 54.79 55.70 3fg1 n ASP 384 Cb 0.51 -0.47 0.07 0.00 -0.02 0.00 0.00 41.12 41.22 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 -3.06 2.44 0.21 -1.24 1.70 -1.26 -4.63 118.95 113.11 3fg1 s ARG 385 Ca 0.11 1.50 -0.31 0.00 -0.47 0.00 0.00 55.73 56.56 3fg1 s ARG 385 Cb 0.15 -1.90 -0.15 0.00 -0.57 0.00 0.00 34.95 32.49 3fg1 s ARG 385 CO 0.60 -1.55 1.14 -1.91 -1.08 0.00 0.00 175.30 172.50 3fg1 n GLU 386 N -2.71 1.31 -1.01 3.89 2.13 -1.26 -1.07 120.64 121.93 3fg1 n GLU 386 Ca 0.11 0.47 -0.00 0.00 0.66 0.00 0.00 57.16 58.40 3fg1 n GLU 386 Cb 0.51 -1.94 -0.00 0.00 0.27 0.00 0.00 31.44 30.28 3fg1 n GLU 386 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3fg1 n HIS 387 N 1.16 0.00 -0.02 4.31 8.25 -1.26 -4.68 115.22 122.98 3fg1 n HIS 387 Ca 0.13 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.66 3fg1 n HIS 387 Cb 0.28 -1.39 0.47 0.00 1.12 0.00 0.00 29.99 30.46 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 1.85 -2.27 -1.41 0.00 -1.38 -3.43 119.26 112.62 3fg1 h ALA 388 Ca -0.01 -0.02 -0.44 0.00 0.00 0.00 0.00 54.91 54.44 3fg1 h ALA 388 Cb 0.69 -0.12 0.17 0.00 0.00 0.00 0.00 17.79 18.53 3fg1 h ALA 388 CO 0.01 0.09 0.16 0.20 0.00 0.00 0.00 179.25 179.70 3fg1 s GLY 389 N -3.75 1.56 -0.02 0.00 0.00 -1.26 -0.86 107.32 102.99 3fg1 s GLY 389 Ca -0.08 -0.50 -0.15 0.00 0.00 0.00 0.00 44.72 43.99 3fg1 s GLY 389 CO 0.73 0.19 0.32 -1.08 0.00 0.00 0.00 173.10 173.27 3fg1 s THR 390 N -2.94 0.05 -0.47 0.90 -1.32 -0.71 -4.55 115.64 106.61 3fg1 s THR 390 Ca 0.67 -0.44 0.07 0.00 -1.21 0.00 0.00 61.69 60.78 3fg1 s THR 390 Cb -0.17 -0.62 0.20 0.00 -1.51 0.00 0.00 72.50 70.40 3fg1 s THR 390 CO 0.58 -0.24 1.16 -0.90 -2.21 0.00 0.00 174.62 173.01 3fg1 n ASP 391 N 1.31 2.61 -4.70 8.08 5.75 -1.26 -3.96 116.55 124.38 3fg1 n ASP 391 Ca -0.21 -2.14 -0.34 0.00 -0.01 0.00 0.00 54.79 52.09 3fg1 n ASP 391 Cb 0.56 -0.18 0.12 0.00 -1.03 0.00 0.00 41.12 40.59 3fg1 n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fg1 s ALA 392 N -1.24 1.91 -0.15 2.12 0.00 -1.26 -4.81 121.76 118.32 3fg1 s ALA 392 Ca 0.16 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 3fg1 s ALA 392 Cb 0.10 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 3fg1 s ALA 392 CO 0.08 -2.20 1.30 0.99 0.00 0.00 0.00 175.76 175.93 3fg1 s THR 393 N -2.10 4.21 -0.16 0.00 2.01 -1.26 -4.91 115.64 113.43 3fg1 s THR 393 Ca 0.74 1.47 -0.06 0.00 0.31 0.00 0.00 61.69 64.15 3fg1 s THR 393 Cb -0.29 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 3fg1 s THR 393 CO 0.49 -0.12 0.04 -0.63 -0.69 0.00 0.00 174.62 173.71 3fg1 s ILE 394 N 3.48 4.59 0.21 1.82 -1.09 -1.26 -2.15 121.20 126.80 3fg1 s ILE 394 Ca 0.56 -0.11 0.10 0.00 -2.23 0.00 0.00 60.65 58.97 3fg1 s ILE 394 Cb -0.23 -3.04 -0.05 0.00 -1.58 0.00 0.00 42.46 37.57 3fg1 s ILE 394 CO 0.16 0.50 -0.19 0.42 -1.23 0.00 0.00 174.94 174.60 3fg1 s THR 395 N 0.12 2.10 -0.05 2.92 -4.23 -0.16 -1.46 115.64 114.88 3fg1 s THR 395 Ca 0.04 -2.14 0.02 0.00 -1.18 0.00 0.00 61.69 58.43 3fg1 s THR 395 Cb -0.13 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.65 3fg1 s THR 395 CO 0.01 -0.36 -0.11 -0.51 -0.54 0.00 0.00 174.62 173.12 3fg1 s ILE 396 N -2.29 0.98 -0.19 2.99 2.07 0.10 -0.66 121.20 124.20 3fg1 s ILE 396 Ca 0.22 -0.41 -0.04 0.00 -1.41 0.00 0.00 60.65 59.01 3fg1 s ILE 396 Cb -0.05 -0.89 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 3fg1 s ILE 396 CO 0.10 0.31 -0.03 -0.60 -1.91 0.00 0.00 174.94 172.81 3fg1 s ARG 397 N 0.54 3.57 -0.19 3.50 3.52 0.37 0.37 118.95 130.63 3fg1 s ARG 397 Ca -0.11 -0.55 -0.08 0.00 -0.13 0.00 0.00 55.73 54.86 3fg1 s ARG 397 Cb -0.14 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 3fg1 s ARG 397 CO 0.02 0.06 0.08 0.42 -0.81 0.00 0.00 175.30 175.06 3fg1 s ILE 398 N 0.85 4.92 -0.09 4.11 1.01 -1.26 -0.85 121.20 129.89 3fg1 s ILE 398 Ca -0.00 0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.70 3fg1 s ILE 398 Cb -0.14 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.10 3fg1 s ILE 398 CO 0.02 0.46 -0.23 -0.89 0.00 0.00 0.00 174.94 174.29 3fg1 s THR 399 N 0.36 2.14 0.14 2.92 2.01 -0.15 -1.37 115.64 121.70 3fg1 s THR 399 Ca 0.04 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.05 3fg1 s THR 399 Cb -0.12 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 3fg1 s THR 399 CO -0.00 0.56 0.16 0.61 -0.69 0.00 0.00 174.62 175.26 3fg1 n GLY 400 N 3.32 3.18 0.35 4.40 0.00 0.23 0.38 105.19 117.04 3fg1 n GLY 400 Ca -0.18 -1.63 0.16 0.00 0.00 0.00 0.00 46.02 44.37 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 1.56 1.77 -0.00 4.61 0.00 0.31 -2.43 119.26 125.07 3fg1 h ALA 401 Ca -0.11 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fg1 h ALA 401 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3fg1 h ALA 401 CO 0.15 -0.22 -0.57 1.63 0.00 0.00 0.00 179.25 180.24 3fg1 n LYS 402 N -4.85 0.13 -0.14 0.00 5.02 0.31 -5.02 118.16 113.61 3fg1 n LYS 402 Ca 0.26 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 3fg1 n LYS 402 Cb 0.70 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 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 1.48 0.28 3.16 0.72 0.00 -0.92 -4.95 105.19 104.97 3fg1 n GLY 403 Ca 0.06 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 0.57 0.88 1.61 1.70 -1.26 -0.60 118.95 119.86 3fg1 s ARG 404 Ca 0.00 -0.34 -0.13 0.00 -0.47 0.00 0.00 55.73 54.79 3fg1 s ARG 404 Cb 0.00 0.25 0.13 0.00 -0.57 0.00 0.00 34.95 34.75 3fg1 s ARG 404 CO 0.00 -0.15 1.18 0.95 -1.08 0.00 0.00 175.30 176.20 3fg1 s THR 405 N -1.46 1.98 1.02 4.99 -4.23 -0.47 -4.86 115.64 112.61 3fg1 s THR 405 Ca -0.14 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.22 3fg1 s THR 405 Cb -0.06 -2.88 0.20 0.00 1.34 0.00 0.00 72.50 71.10 3fg1 s THR 405 CO 0.02 0.00 1.16 -0.62 -0.54 0.00 0.00 174.62 174.64 3fg1 s ASP 406 N -4.38 2.55 -0.03 3.99 -1.08 -1.26 -4.61 116.67 111.85 3fg1 s ASP 406 Ca 0.65 0.76 -0.30 0.00 -0.52 0.00 0.00 52.55 53.13 3fg1 s ASP 406 Cb -0.12 -1.14 -0.06 0.00 -1.46 0.00 0.00 42.92 40.14 3fg1 s ASP 406 CO 0.51 -3.13 1.71 -0.31 0.52 0.00 0.00 175.17 174.48 3fg1 s TYR 407 N -3.28 1.86 -0.10 -5.34 1.51 -1.26 -4.45 117.35 106.29 3fg1 s TYR 407 Ca 0.68 0.08 -0.04 0.00 -1.01 0.00 0.00 57.07 56.77 3fg1 s TYR 407 Cb -0.12 -3.98 -0.04 0.00 -0.11 0.00 0.00 41.96 37.72 3fg1 s TYR 407 CO 0.55 -4.17 0.07 -0.51 -1.11 0.00 0.00 175.55 170.37 3fg1 s LEU 408 N 4.07 3.97 0.11 -1.29 1.43 0.16 -4.80 118.68 122.33 3fg1 s LEU 408 Ca 0.76 0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 53.86 3fg1 s LEU 408 Cb -0.35 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 43.87 3fg1 s LEU 408 CO 0.32 0.39 1.00 -0.54 0.23 0.00 0.00 176.35 177.75 3fg1 s LYS 409 N -0.96 4.66 -0.80 1.70 1.02 -1.26 0.00 119.74 124.09 3fg1 s LYS 409 Ca 0.14 1.51 -0.03 0.00 0.02 0.00 0.00 55.97 57.61 3fg1 s LYS 409 Cb -0.12 -3.37 0.20 0.00 -0.52 0.00 0.00 37.83 34.03 3fg1 s LYS 409 CO 0.03 0.14 0.67 -0.51 -0.92 0.00 0.00 175.35 174.76 3fg1 s LEU 410 N 0.09 5.53 -0.41 3.17 1.43 -0.53 -4.93 118.68 123.02 3fg1 s LEU 410 Ca 0.48 -3.38 0.05 0.00 -1.03 0.00 0.00 54.13 50.26 3fg1 s LEU 410 Cb -0.24 -1.91 0.20 0.00 0.03 0.00 0.00 46.19 44.26 3fg1 s LEU 410 CO 0.30 -0.27 0.43 -0.67 0.23 0.00 0.00 176.35 176.37 3fg1 n ASP 411 N 2.81 -0.52 -3.08 2.29 2.03 -1.26 -4.37 116.55 114.43 3fg1 n ASP 411 Ca 0.17 -2.51 0.04 0.00 0.52 0.00 0.00 54.79 53.00 3fg1 n ASP 411 Cb 0.38 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 3fg1 n ASP 411 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3fg1 s LYS 412 N -0.24 0.32 0.02 -0.67 2.20 -1.26 -5.13 119.74 114.98 3fg1 s LYS 412 Ca 0.33 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 3fg1 s LYS 412 Cb 0.08 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 3fg1 s LYS 412 CO -0.17 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 3fg1 n GLY 413 N 4.83 -3.42 4.01 5.54 0.00 -1.26 -4.99 105.19 109.90 3fg1 n GLY 413 Ca 0.08 -1.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.05 3fg1 n GLY 413 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg1 s SER 414 N -1.00 5.38 -0.68 1.61 1.04 -1.26 -5.07 113.70 113.72 3fg1 s SER 414 Ca 0.00 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.07 3fg1 s SER 414 Cb 0.00 -0.48 0.17 0.00 0.10 0.00 0.00 66.02 65.80 3fg1 s SER 414 CO 0.00 -1.03 0.47 -0.36 0.98 0.00 0.00 173.24 173.30 3fg1 s PHE 418 N -2.56 3.52 0.44 5.02 2.99 -1.25 -4.96 117.98 121.18 3fg1 s PHE 418 Ca 0.58 -3.27 -0.09 0.00 0.00 0.00 0.00 56.93 54.14 3fg1 s PHE 418 Cb -0.09 -2.79 -0.05 0.00 0.00 0.00 0.00 43.02 40.09 3fg1 s PHE 418 CO 0.36 -0.61 0.80 -1.21 -0.00 0.00 0.00 175.22 174.56 3fg1 s GLU 419 N -1.19 3.70 0.20 0.44 0.41 -1.26 -1.73 118.70 119.27 3fg1 s GLU 419 Ca 0.23 0.43 -0.33 0.00 -0.41 0.00 0.00 54.97 54.89 3fg1 s GLU 419 Cb -0.09 -2.36 -0.14 0.00 -1.78 0.00 0.00 34.13 29.76 3fg1 s GLU 419 CO -0.13 -0.13 1.41 0.00 -0.49 0.00 0.00 175.26 175.93 3fg1 n ALA 420 N -1.68 0.72 -0.45 5.21 0.00 -1.26 -1.87 120.51 121.18 3fg1 n ALA 420 Ca 0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3fg1 n ALA 420 Cb 0.54 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 2.50 1.57 3.83 0.00 0.00 -0.05 -4.83 105.19 108.20 3fg1 n GLY 421 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.27 6.77 -0.26 1.61 1.04 -0.78 -4.78 113.70 114.03 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 0.06 0.00 0.10 0.00 0.00 66.02 63.65 3fg1 s SER 422 CO 0.00 -0.48 -0.11 -0.54 0.98 0.00 0.00 173.24 173.09 3fg1 s LYS 423 N -3.58 2.22 -0.05 4.02 1.02 -1.26 -1.08 119.74 121.03 3fg1 s LYS 423 Ca 0.61 -1.34 0.05 0.00 0.02 0.00 0.00 55.97 55.31 3fg1 s LYS 423 Cb -0.10 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 3fg1 s LYS 423 CO 0.21 -0.57 -0.20 -1.21 -0.92 0.00 0.00 175.35 172.66 3fg1 s GLU 424 N 1.11 2.44 -0.00 1.68 0.41 -0.14 -4.93 118.70 119.26 3fg1 s GLU 424 Ca -0.09 -0.82 0.03 0.00 -0.41 0.00 0.00 54.97 53.69 3fg1 s GLU 424 Cb -0.20 -2.24 -0.03 0.00 -1.78 0.00 0.00 34.13 29.88 3fg1 s GLU 424 CO -0.05 0.53 -0.08 -0.65 -0.49 0.00 0.00 175.26 174.51 3fg1 s GLN 425 N -0.50 2.51 0.03 1.61 -0.21 -1.26 -1.10 119.66 120.74 3fg1 s GLN 425 Ca 0.06 -0.73 0.01 0.00 0.02 0.00 0.00 55.36 54.72 3fg1 s GLN 425 Cb -0.11 -2.47 -0.02 0.00 1.00 0.00 0.00 33.01 31.41 3fg1 s GLN 425 CO 0.01 0.60 -0.06 0.71 -2.12 0.00 0.00 175.29 174.43 3fg1 s TYR 426 N -0.96 0.49 -0.18 0.91 1.51 0.10 -5.01 117.35 114.23 3fg1 s TYR 426 Ca 0.16 -0.48 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 3fg1 s TYR 426 Cb -0.11 -0.31 0.03 0.00 -0.11 0.00 0.00 41.96 41.46 3fg1 s TYR 426 CO 0.06 -0.12 -0.12 0.99 -1.11 0.00 0.00 175.55 175.25 3fg1 s THR 427 N -1.32 1.64 0.13 -0.71 2.01 -1.26 -0.76 115.64 115.36 3fg1 s THR 427 Ca -0.11 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.06 3fg1 s THR 427 Cb -0.09 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 3fg1 s THR 427 CO -0.00 0.29 -0.13 0.68 -0.69 0.00 0.00 174.62 174.77 3fg1 s VAL 428 N 1.42 1.26 -0.07 3.82 -7.23 -0.39 -4.97 120.40 114.24 3fg1 s VAL 428 Ca 0.01 -1.79 0.06 0.00 -1.81 0.00 0.00 61.98 58.45 3fg1 s VAL 428 Cb -0.15 -1.58 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 3fg1 s VAL 428 CO -0.09 -0.51 -0.25 -1.58 -0.31 0.00 0.00 175.10 172.37 3fg1 s GLN 429 N -2.92 2.67 0.04 4.82 0.74 -1.26 0.56 119.66 124.30 3fg1 s GLN 429 Ca 0.10 -0.89 -0.02 0.00 0.05 0.00 0.00 55.36 54.60 3fg1 s GLN 429 Cb -0.03 -2.19 0.01 0.00 1.10 0.00 0.00 33.01 31.90 3fg1 s GLN 429 CO 0.02 0.33 0.11 0.41 -0.55 0.00 0.00 175.29 175.61 3fg1 n GLY 430 N 3.10 1.63 3.53 2.59 0.00 -0.63 -5.00 105.19 110.41 3fg1 n GLY 430 Ca -0.18 -1.01 -0.55 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.08 0.93 -2.24 1.61 -0.00 -1.26 0.42 117.46 116.84 3fg1 n PHE 431 Ca -0.01 0.87 -0.43 0.00 -0.00 0.00 0.00 57.45 57.88 3fg1 n PHE 431 Cb 0.07 -2.18 -0.02 0.00 -0.00 0.00 0.00 39.48 37.35 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 0.09 6.21 0.00 -2.13 2.15 -1.26 -4.40 116.67 117.34 3fg1 s ASP 432 Ca 0.85 0.99 0.27 0.00 0.43 0.00 0.00 52.55 55.09 3fg1 s ASP 432 Cb -1.10 -2.54 1.35 0.00 -0.30 0.00 0.00 42.92 40.34 3fg1 s ASP 432 CO 0.53 -1.51 1.90 1.33 -0.17 0.00 0.00 175.17 177.26 3fg1 n VAL 433 N 7.16 0.03 -2.37 1.11 0.24 -1.26 -4.70 118.33 118.54 3fg1 n VAL 433 Ca 0.18 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3fg1 n VAL 433 Cb 0.48 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 1.05 2.58 3.68 7.63 0.00 -1.26 -0.53 105.19 118.34 3fg1 n GLY 434 Ca 0.20 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 6.67 0.16 1.61 2.15 -1.26 -4.74 116.67 117.25 3fg1 s ASP 435 Ca 0.00 2.34 -0.30 0.00 0.43 0.00 0.00 52.55 55.02 3fg1 s ASP 435 Cb 0.00 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 40.00 3fg1 s ASP 435 CO 0.00 -0.87 1.15 -0.63 -0.17 0.00 0.00 175.17 174.64 3fg1 s ILE 436 N 3.12 3.82 -0.06 4.11 1.01 -1.26 -0.61 121.20 131.33 3fg1 s ILE 436 Ca 0.72 1.50 0.03 0.00 0.00 0.00 0.00 60.65 62.90 3fg1 s ILE 436 Cb -0.36 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 3fg1 s ILE 436 CO 0.31 0.23 -0.01 0.00 0.00 0.00 0.00 174.94 175.46 3fg1 n GLN 437 N 2.71 1.98 -3.51 2.79 6.02 0.16 -4.92 117.38 122.61 3fg1 n GLN 437 Ca 0.04 0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 56.93 3fg1 n GLN 437 Cb 0.46 -1.13 -0.03 0.00 1.02 0.00 0.00 30.24 30.56 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 -4.78 -0.27 0.15 1.08 0.05 -0.88 -4.25 118.68 109.78 3fg1 s LEU 438 Ca -0.05 -0.13 0.05 0.00 0.05 0.00 0.00 54.13 54.05 3fg1 s LEU 438 Cb 0.02 2.38 -0.04 0.00 -2.05 0.00 0.00 46.19 46.50 3fg1 s LEU 438 CO 0.19 -0.96 -0.12 0.27 -0.55 0.00 0.00 176.35 175.18 3fg1 s ILE 439 N -3.78 1.31 -0.10 1.48 -4.36 -0.18 -0.98 121.20 114.59 3fg1 s ILE 439 Ca 0.02 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.43 3fg1 s ILE 439 Cb -0.00 -1.79 0.02 0.00 1.25 0.00 0.00 42.46 41.93 3fg1 s ILE 439 CO -0.11 -0.64 -0.12 -1.61 0.24 0.00 0.00 174.94 172.70 3fg1 s GLU 440 N -3.44 1.82 -0.12 0.37 2.02 -0.03 -0.04 118.70 119.28 3fg1 s GLU 440 Ca 0.16 -0.41 -0.07 0.00 0.02 0.00 0.00 54.97 54.66 3fg1 s GLU 440 Cb -0.00 -1.65 -0.04 0.00 0.10 0.00 0.00 34.13 32.54 3fg1 s GLU 440 CO 0.02 -0.12 0.14 -0.51 0.02 0.00 0.00 175.26 174.82 3fg1 s LEU 441 N 1.18 4.38 -0.05 1.80 1.43 0.46 -0.48 118.68 127.41 3fg1 s LEU 441 Ca -0.04 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 3fg1 s LEU 441 Cb -0.14 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3fg1 s LEU 441 CO -0.03 0.40 -0.14 -2.28 0.23 0.00 0.00 176.35 174.53 3fg1 s HIS 442 N -0.97 1.50 -0.07 0.29 2.46 0.17 -1.37 115.29 117.30 3fg1 s HIS 442 Ca 0.15 -0.46 0.02 0.00 0.47 0.00 0.00 55.06 55.24 3fg1 s HIS 442 Cb -0.12 -1.04 -0.03 0.00 -0.13 0.00 0.00 32.58 31.26 3fg1 s HIS 442 CO 0.04 -0.19 -0.12 0.45 -2.47 0.00 0.00 174.74 172.45 3fg1 s SER 443 N 0.26 4.21 0.00 9.88 0.15 0.69 -0.99 113.70 127.90 3fg1 s SER 443 Ca -0.07 -0.17 0.19 0.00 0.70 0.00 0.00 55.95 56.60 3fg1 s SER 443 Cb -0.12 -1.08 0.96 0.00 -1.71 0.00 0.00 66.02 64.07 3fg1 s SER 443 CO 0.02 0.32 1.64 -0.90 1.20 0.00 0.00 173.24 175.52 3fg1 n ASP 444 N 2.51 0.55 -0.09 5.45 5.75 -0.91 -4.62 116.55 125.18 3fg1 n ASP 444 Ca -0.18 -1.53 -0.01 0.00 -0.01 0.00 0.00 54.79 53.06 3fg1 n ASP 444 Cb 0.52 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.57 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 0.89 0.46 0.00 6.12 0.00 -1.26 -4.83 105.19 106.57 3fg1 n GLY 445 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.96 -1.51 0.00 -0.02 0.00 -1.26 -4.66 105.19 95.78 3fg1 n GLY 446 Ca -0.01 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.71 1.87 0.35 -0.02 0.00 -1.26 -4.92 105.19 99.49 3fg1 n GLY 447 Ca 0.00 -2.04 0.07 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.00 1.06 -0.01 1.61 5.03 -2.02 -2.71 116.97 119.94 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 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 37.95 3fg1 h TYR 448 CO 0.00 0.40 -0.39 0.91 -1.32 0.00 0.00 178.16 177.76 3fg1 n TRP 449 N -4.67 0.00 -1.83 -3.82 7.02 -1.26 -4.94 117.44 107.94 3fg1 n TRP 449 Ca 0.18 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.24 3fg1 n TRP 449 Cb 0.36 -0.08 -0.03 0.00 -2.42 0.00 0.00 31.31 29.15 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 -2.54 6.26 -0.00 -0.99 0.01 -1.02 -4.92 113.70 110.50 3fg1 s SER 450 Ca 0.21 2.17 -0.22 0.00 1.31 0.00 0.00 55.95 59.42 3fg1 s SER 450 Cb 0.19 -2.53 -0.20 0.00 0.21 0.00 0.00 66.02 63.69 3fg1 s SER 450 CO 0.56 -1.27 1.18 1.23 0.41 0.00 0.00 173.24 175.35 3fg1 h GLY 451 N 11.75 0.31 -5.80 3.44 0.00 -1.92 -3.42 103.07 107.43 3fg1 h GLY 451 Ca -0.42 -0.43 -0.44 0.00 0.00 0.00 0.00 47.33 46.04 3fg1 h GLY 451 CO 0.96 0.38 -0.85 1.34 0.00 0.00 0.00 176.54 178.38 3fg1 n ASP 452 N -4.49 -1.26 0.33 0.19 2.03 -1.26 -5.01 116.55 107.09 3fg1 n ASP 452 Ca -0.08 -2.70 0.22 0.00 0.52 0.00 0.00 54.79 52.75 3fg1 n ASP 452 Cb 0.47 0.23 1.18 0.00 -0.72 0.00 0.00 41.12 42.27 3fg1 n ASP 452 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3fg1 h PRO 453 N 4.85 0.00 -6.92 -0.67 0.13 -1.83 -3.43 132.00 124.13 3fg1 h PRO 453 Ca 0.12 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.69 3fg1 h PRO 453 Cb 0.96 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.21 3fg1 h PRO 453 CO 0.31 0.00 0.62 -0.25 -0.23 0.00 0.00 178.00 178.46 3fg1 n ASP 454 N -3.19 3.05 -3.76 1.44 10.43 -1.26 -4.66 116.55 118.60 3fg1 n ASP 454 Ca -0.03 1.12 -0.24 0.00 2.57 0.00 0.00 54.79 58.21 3fg1 n ASP 454 Cb 0.07 -1.56 -0.17 0.00 1.84 0.00 0.00 41.12 41.30 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 -1.19 0.76 -0.41 1.24 -0.00 -0.50 -4.58 118.94 114.26 3fg1 s TRP 455 Ca 0.61 -0.35 -0.20 0.00 -0.00 0.00 0.00 56.10 56.16 3fg1 s TRP 455 Cb -0.48 -0.86 0.02 0.00 -0.00 0.00 0.00 33.47 32.15 3fg1 s TRP 455 CO 0.58 -0.40 0.58 0.12 -0.00 0.00 0.00 176.95 177.82 3fg1 s PHE 456 N 1.94 3.11 -0.23 5.86 5.36 -0.04 0.25 117.98 134.23 3fg1 s PHE 456 Ca 0.04 -0.04 -0.08 0.00 -0.96 0.00 0.00 56.93 55.88 3fg1 s PHE 456 Cb -0.13 -3.16 -0.04 0.00 -0.34 0.00 0.00 43.02 39.35 3fg1 s PHE 456 CO -0.06 -0.75 0.09 0.08 -1.46 0.00 0.00 175.22 173.12 3fg1 s VAL 457 N 2.60 4.69 -0.03 3.12 1.01 -1.05 -0.84 120.40 129.90 3fg1 s VAL 457 Ca 0.20 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 3fg1 s VAL 457 Cb -0.15 -3.18 -0.13 0.00 0.00 0.00 0.00 36.38 32.92 3fg1 s VAL 457 CO 0.17 0.36 0.90 0.78 0.00 0.00 0.00 175.10 177.30 3fg1 h ASN 458 N 7.74 -0.38 -4.84 3.32 -0.26 -0.74 0.11 115.58 120.54 3fg1 h ASN 458 Ca -0.37 -0.15 -0.02 0.00 -0.56 0.00 0.00 56.30 55.20 3fg1 h ASN 458 Cb 1.18 0.10 -0.18 0.00 -1.06 0.00 0.00 38.32 38.35 3fg1 h ASN 458 CO 0.61 0.08 0.27 -0.60 -1.06 0.00 0.00 177.43 176.73 3fg1 s ARG 459 N -3.80 1.01 -0.04 0.81 3.52 -1.09 -0.40 118.95 118.96 3fg1 s ARG 459 Ca -0.12 0.08 0.07 0.00 -0.13 0.00 0.00 55.73 55.63 3fg1 s ARG 459 Cb 0.01 0.47 -0.02 0.00 -1.56 0.00 0.00 34.95 33.86 3fg1 s ARG 459 CO 0.41 -0.35 -0.24 0.08 -0.81 0.00 0.00 175.30 174.38 3fg1 s VAL 460 N -1.76 2.16 -0.07 7.11 1.01 -0.49 -0.81 120.40 127.56 3fg1 s VAL 460 Ca -0.06 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.91 3fg1 s VAL 460 Cb -0.00 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 3fg1 s VAL 460 CO 0.03 0.58 -0.20 -0.63 0.00 0.00 0.00 175.10 174.88 3fg1 s ILE 461 N -0.40 1.72 0.00 2.22 1.01 0.29 0.03 121.20 126.08 3fg1 s ILE 461 Ca 0.03 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.88 3fg1 s ILE 461 Cb -0.12 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 3fg1 s ILE 461 CO 0.01 0.49 -0.13 -0.63 0.00 0.00 0.00 174.94 174.68 3fg1 s ILE 462 N 0.24 1.04 -0.11 2.92 1.01 -0.07 -0.70 121.20 125.53 3fg1 s ILE 462 Ca -0.12 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3fg1 s ILE 462 Cb -0.15 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.44 3fg1 s ILE 462 CO 0.05 0.21 -0.13 -0.63 0.00 0.00 0.00 174.94 174.45 3fg1 s ILE 463 N -0.45 1.33 -0.07 2.92 1.01 -0.33 -1.65 121.20 123.97 3fg1 s ILE 463 Ca 0.04 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.08 3fg1 s ILE 463 Cb -0.06 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 3fg1 s ILE 463 CO -0.00 0.41 0.23 -0.55 0.00 0.00 0.00 174.94 175.03 3fg1 s SER 464 N 1.20 6.52 0.59 3.58 0.15 -1.26 -1.04 113.70 123.44 3fg1 s SER 464 Ca -0.03 0.62 0.38 0.00 0.70 0.00 0.00 55.95 57.62 3fg1 s SER 464 Cb -0.14 -2.12 1.85 0.00 -1.71 0.00 0.00 66.02 63.90 3fg1 s SER 464 CO -0.04 0.36 2.15 0.77 1.20 0.00 0.00 173.24 177.68 3fg1 h SER 465 N 4.76 0.00 -0.17 5.45 4.64 -1.71 -2.60 113.55 123.91 3fg1 h SER 465 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3fg1 h SER 465 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3fg1 h SER 465 CO 0.60 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.91 3fg1 n THR 466 N -3.03 0.21 -4.39 2.95 -2.24 -1.26 -4.96 114.28 101.57 3fg1 n THR 466 Ca -0.01 -0.60 -0.20 0.00 -2.27 0.00 0.00 64.05 60.97 3fg1 n THR 466 Cb 0.18 1.27 -0.14 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.72 0.91 -0.90 -0.78 -1.52 -0.98 -5.00 119.66 109.66 3fg1 s GLN 467 Ca 0.31 -0.63 -0.01 0.00 -1.95 0.00 0.00 55.36 53.07 3fg1 s GLN 467 Cb 0.20 -0.89 0.34 0.00 -0.22 0.00 0.00 33.01 32.45 3fg1 s GLN 467 CO 0.30 0.23 1.93 -3.47 -0.25 0.00 0.00 175.29 174.02 3fg1 n ASP 468 N 2.19 7.38 -4.14 5.90 -0.08 -1.26 -4.50 116.55 122.04 3fg1 n ASP 468 Ca -0.17 -3.78 -0.13 0.00 -1.51 0.00 0.00 54.79 49.20 3fg1 n ASP 468 Cb 0.55 -1.09 -0.11 0.00 2.34 0.00 0.00 41.12 42.82 3fg1 n ASP 468 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3fg1 s ARG 469 N -4.15 0.74 -0.28 -0.67 1.81 -1.26 -5.12 118.95 110.02 3fg1 s ARG 469 Ca 0.47 -1.10 -0.04 0.00 -1.72 0.00 0.00 55.73 53.34 3fg1 s ARG 469 Cb 0.35 -0.34 0.02 0.00 -0.45 0.00 0.00 34.95 34.53 3fg1 s ARG 469 CO -0.31 0.04 0.02 0.08 -0.68 0.00 0.00 175.30 174.45 3fg1 s VAL 470 N -2.54 3.44 -0.22 3.52 1.01 -1.26 -4.56 120.40 119.79 3fg1 s VAL 470 Ca 0.03 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 3fg1 s VAL 470 Cb -0.02 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3fg1 s VAL 470 CO -0.02 0.07 0.53 -0.31 0.00 0.00 0.00 175.10 175.37 3fg1 s TYR 471 N 1.40 3.34 -0.14 5.22 1.51 -0.66 -4.98 117.35 123.04 3fg1 s TYR 471 Ca 0.00 0.75 0.01 0.00 -1.01 0.00 0.00 57.07 56.82 3fg1 s TYR 471 Cb -0.18 -2.70 -0.00 0.00 -0.11 0.00 0.00 41.96 38.97 3fg1 s TYR 471 CO -0.00 -0.17 -0.18 0.45 -1.11 0.00 0.00 175.55 174.54 3fg1 s SER 472 N 1.28 3.50 -0.49 2.29 0.15 -1.26 -0.90 113.70 118.28 3fg1 s SER 472 Ca 0.24 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.42 3fg1 s SER 472 Cb -0.15 -1.52 0.13 0.00 -1.71 0.00 0.00 66.02 62.76 3fg1 s SER 472 CO 0.09 0.10 0.24 -0.36 1.20 0.00 0.00 173.24 174.51 3fg1 s PHE 473 N 0.70 3.38 0.46 3.44 0.40 0.11 -1.02 117.98 125.44 3fg1 s PHE 473 Ca -0.08 -3.01 -0.23 0.00 -0.60 0.00 0.00 56.93 53.01 3fg1 s PHE 473 Cb -0.16 -2.94 -0.08 0.00 0.51 0.00 0.00 43.02 40.36 3fg1 s PHE 473 CO 0.01 -0.82 1.14 -1.25 0.70 0.00 0.00 175.22 175.00 3fg1 s PRO 474 N 0.12 3.79 0.00 0.24 0.04 -1.26 -1.40 135.00 136.53 3fg1 s PRO 474 Ca 0.15 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.90 3fg1 s PRO 474 Cb -0.23 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.92 3fg1 s PRO 474 CO -0.03 -0.51 0.00 0.00 0.04 0.00 0.00 177.00 176.50 3fg1 n PHE 476 N -1.79 -2.28 -4.06 0.00 3.01 0.39 -4.92 117.46 107.82 3fg1 n PHE 476 Ca 0.00 0.91 -0.10 0.00 1.01 0.00 0.00 57.45 59.27 3fg1 n PHE 476 Cb 0.00 -4.42 -0.08 0.00 -0.01 0.00 0.00 39.48 34.97 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 -6.24 1.19 0.04 -1.08 0.52 -1.19 -5.01 118.95 107.19 3fg1 s ARG 477 Ca 0.37 -1.34 -0.30 0.00 -0.52 0.00 0.00 55.73 53.94 3fg1 s ARG 477 Cb -0.18 0.34 -0.05 0.00 0.52 0.00 0.00 34.95 35.59 3fg1 s ARG 477 CO 0.80 -0.42 1.09 -1.58 0.02 0.00 0.00 175.30 175.21 3fg1 s TRP 478 N -4.04 3.55 -0.31 -0.53 0.52 -1.26 -2.54 118.94 114.34 3fg1 s TRP 478 Ca 0.25 1.50 -0.17 0.00 0.02 0.00 0.00 56.10 57.69 3fg1 s TRP 478 Cb 0.04 -3.27 -0.02 0.00 -1.15 0.00 0.00 33.47 29.07 3fg1 s TRP 478 CO 0.05 -0.66 0.49 0.08 0.02 0.00 0.00 176.95 176.92 3fg1 s VAL 479 N 0.93 5.06 0.00 4.03 1.01 0.14 -4.94 120.40 126.64 3fg1 s VAL 479 Ca 0.55 0.55 0.00 0.00 0.00 0.00 0.00 61.98 63.08 3fg1 s VAL 479 Cb -0.26 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3fg1 s VAL 479 CO 0.29 -0.05 0.00 -0.38 0.00 0.00 0.00 175.10 174.96 3fg1 n ILE 480 N 5.29 0.00 0.00 2.22 2.08 -1.26 -1.41 119.36 126.28 3fg1 n ILE 480 Ca -0.05 0.43 0.00 0.00 0.56 0.00 0.00 62.75 63.69 3fg1 n ILE 480 Cb 0.49 -1.41 0.00 0.00 -0.75 0.00 0.00 39.64 37.98 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 -2.26 0.00 -4.33 0.38 4.76 -1.26 -4.59 118.16 110.87 3fg1 n LYS 481 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 3fg1 n LYS 481 Cb 0.00 -0.48 -0.15 0.00 -1.84 0.00 0.00 35.03 32.56 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 -5.06 0.97 -0.07 4.39 1.11 -1.26 -0.22 116.67 116.53 3fg1 s ASP 482 Ca 0.00 -0.15 -0.03 0.00 0.18 0.00 0.00 52.55 52.55 3fg1 s ASP 482 Cb 0.00 -0.11 0.04 0.00 1.07 0.00 0.00 42.92 43.92 3fg1 s ASP 482 CO 0.00 0.10 0.12 -0.32 1.18 0.00 0.00 175.17 176.25 3fg1 s MET 483 N -0.19 -0.01 -0.07 8.23 1.75 -0.47 -4.98 119.30 123.56 3fg1 s MET 483 Ca 0.03 0.49 -0.20 0.00 -1.25 0.00 0.00 55.69 54.76 3fg1 s MET 483 Cb -0.03 -0.36 -0.04 0.00 2.84 0.00 0.00 34.83 37.23 3fg1 s MET 483 CO -0.00 -0.31 0.56 0.08 -0.65 0.00 0.00 175.02 174.69 3fg1 s VAL 484 N 2.24 5.07 0.09 10.11 1.01 -1.26 -0.40 120.40 137.26 3fg1 s VAL 484 Ca 0.04 1.15 0.08 0.00 0.00 0.00 0.00 61.98 63.24 3fg1 s VAL 484 Cb -0.12 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3fg1 s VAL 484 CO -0.05 0.35 -0.19 -0.76 0.00 0.00 0.00 175.10 174.45 3fg1 s LEU 485 N 0.36 2.29 0.04 3.92 1.43 0.95 -4.99 118.68 122.68 3fg1 s LEU 485 Ca 0.30 -0.67 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3fg1 s LEU 485 Cb -0.17 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 3fg1 s LEU 485 CO 0.14 0.03 -0.14 -0.36 0.23 0.00 0.00 176.35 176.25 3fg1 s PHE 486 N -1.18 2.67 0.41 0.29 2.99 -1.26 -1.02 117.98 120.88 3fg1 s PHE 486 Ca 0.05 -0.18 -0.15 0.00 0.00 0.00 0.00 56.93 56.64 3fg1 s PHE 486 Cb -0.10 -1.50 -0.08 0.00 0.00 0.00 0.00 43.02 41.34 3fg1 s PHE 486 CO 0.04 0.31 0.84 -1.25 -0.00 0.00 0.00 175.22 175.15 3fg1 s PRO 487 N -1.53 3.96 1.49 0.24 0.04 -1.26 -4.43 135.00 133.51 3fg1 s PRO 487 Ca 0.16 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.94 3fg1 s PRO 487 Cb -0.11 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.12 3fg1 s PRO 487 CO 0.07 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.49 3fg1 n GLY 488 N -0.97 -0.94 3.84 0.56 0.00 -0.19 -4.97 105.19 102.51 3fg1 n GLY 488 Ca 0.04 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 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 3.50 0.65 1.61 8.01 -1.26 -4.77 118.70 126.44 3fg1 s GLU 489 Ca 0.00 0.94 -0.18 0.00 0.01 0.00 0.00 54.97 55.75 3fg1 s GLU 489 Cb 0.00 -2.07 -0.02 0.00 -4.31 0.00 0.00 34.13 27.73 3fg1 s GLU 489 CO 0.00 -0.65 1.11 0.00 0.01 0.00 0.00 175.26 175.73 3fg1 n ALA 490 N -2.35 0.51 -2.98 5.21 0.00 -1.26 -5.04 120.51 114.60 3fg1 n ALA 490 Ca 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 3fg1 n ALA 490 Cb 0.54 -2.20 -0.11 0.00 0.00 0.00 0.00 19.45 17.67 3fg1 n ALA 490 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg1 s THR 491 N -1.53 0.10 0.49 0.00 -4.23 -0.26 -4.84 115.64 105.37 3fg1 s THR 491 Ca 0.79 -0.80 -0.19 0.00 -1.18 0.00 0.00 61.69 60.31 3fg1 s THR 491 Cb -0.38 -0.25 -0.09 0.00 1.34 0.00 0.00 72.50 73.12 3fg1 s THR 491 CO 0.44 -0.44 1.00 -0.76 -0.54 0.00 0.00 174.62 174.33 3fg1 s LEU 492 N -1.30 3.79 0.52 4.79 1.43 -1.26 -4.02 118.68 122.63 3fg1 s LEU 492 Ca -0.14 1.76 0.19 0.00 -1.03 0.00 0.00 54.13 54.91 3fg1 s LEU 492 Cb -0.09 -4.54 1.35 0.00 0.03 0.00 0.00 46.19 42.94 3fg1 s LEU 492 CO -0.01 -0.65 2.14 1.55 0.23 0.00 0.00 176.35 179.61 3fg1 h PRO 493 N 1.41 0.00 -0.00 1.29 0.13 -1.97 -1.49 132.00 131.37 3fg1 h PRO 493 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3fg1 h PRO 493 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3fg1 h PRO 493 CO 0.60 0.04 -0.14 1.97 -0.23 0.00 0.00 178.00 180.24 3fg1 n PHE 494 N -4.31 0.00 -1.81 1.56 1.16 -1.26 -4.89 117.46 107.91 3fg1 n PHE 494 Ca -0.03 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.14 3fg1 n PHE 494 Cb 0.12 -0.41 -0.01 0.00 -1.61 0.00 0.00 39.48 37.57 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 -2.96 6.40 0.07 5.98 0.02 -0.56 -4.87 114.94 119.01 3fg1 s ASN 495 Ca 0.15 2.94 -0.30 0.00 -1.02 0.00 0.00 52.86 54.62 3fg1 s ASN 495 Cb 0.19 -2.64 -0.09 0.00 0.02 0.00 0.00 41.25 38.72 3fg1 s ASN 495 CO 0.57 -0.88 1.90 -0.70 0.02 0.00 0.00 177.10 178.01 3fg1 s GLU 496 N -0.81 4.14 0.03 -0.60 2.12 -1.26 -4.97 118.70 117.36 3fg1 s GLU 496 Ca 0.61 2.59 -0.08 0.00 0.36 0.00 0.00 54.97 58.44 3fg1 s GLU 496 Cb -0.47 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 29.99 3fg1 s GLU 496 CO 0.50 -0.91 0.17 0.08 -0.54 0.00 0.00 175.26 174.57 3fg1 s VAL 497 N 3.77 0.11 0.65 3.70 1.01 -1.26 -5.14 120.40 123.23 3fg1 s VAL 497 Ca 0.85 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 3fg1 s VAL 497 Cb -0.43 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3fg1 s VAL 497 CO 0.39 -0.49 0.92 -2.65 0.00 0.00 0.00 175.10 173.28 3fg1 n PRO 498 N 0.87 0.72 -0.23 2.72 -0.02 -1.26 -4.80 135.00 132.99 3fg1 n PRO 498 Ca -0.20 0.29 0.08 0.00 -2.02 0.00 0.00 63.50 61.66 3fg1 n PRO 498 Cb 0.58 -2.15 0.35 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.18 1.73 -0.11 3.55 0.00 -2.00 -1.68 119.26 120.93 3fg1 h ALA 499 Ca -0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 3fg1 h ALA 499 Cb 1.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3fg1 h ALA 499 CO 0.49 0.10 -0.22 0.97 0.00 0.00 0.00 179.25 180.58 3fg1 h ILE 500 N 0.76 1.21 -0.04 0.00 6.09 -1.99 0.12 117.51 123.66 3fg1 h ILE 500 Ca 0.38 -0.99 -0.06 0.00 -1.37 0.00 0.00 64.86 62.81 3fg1 h ILE 500 Cb 0.44 1.38 0.00 0.00 0.47 0.00 0.00 36.82 39.12 3fg1 h ILE 500 CO -0.15 0.30 -0.22 0.58 -3.07 0.00 0.00 178.15 175.60 3fg1 h VAL 501 N 0.17 1.47 -0.58 2.19 2.07 -1.67 -1.33 116.25 118.57 3fg1 h VAL 501 Ca 0.03 -1.69 0.08 0.00 0.82 0.00 0.00 66.70 65.94 3fg1 h VAL 501 Cb 0.50 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 3fg1 h VAL 501 CO 0.03 0.47 0.23 0.28 0.02 0.00 0.00 177.57 178.60 3fg1 h SER 502 N -0.34 0.25 -0.60 0.57 0.02 -1.15 0.63 113.55 112.93 3fg1 h SER 502 Ca -0.01 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3fg1 h SER 502 Cb 0.88 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 3fg1 h SER 502 CO 0.04 0.16 0.39 -0.33 -1.14 0.00 0.00 176.83 175.95 3fg1 h GLU 503 N 0.42 0.80 -0.09 3.45 5.08 -0.71 -1.17 114.58 122.37 3fg1 h GLU 503 Ca 0.28 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.42 3fg1 h GLU 503 Cb 0.31 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3fg1 h GLU 503 CO -0.27 0.55 -0.65 1.96 -1.00 0.00 0.00 179.01 179.60 3fg1 h GLN 504 N 0.81 0.34 -0.08 2.33 1.08 -0.82 -1.42 115.11 117.35 3fg1 h GLN 504 Ca 0.22 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3fg1 h GLN 504 Cb -0.07 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 3fg1 h GLN 504 CO -0.05 0.87 0.05 -0.09 -0.95 0.00 0.00 178.83 178.67 3fg1 h ARG 505 N 0.24 0.11 -0.53 1.46 2.43 -0.68 0.25 114.38 117.66 3fg1 h ARG 505 Ca -0.01 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3fg1 h ARG 505 Cb 1.19 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 3fg1 h ARG 505 CO 0.11 0.12 0.28 1.96 -1.51 0.00 0.00 179.97 180.92 3fg1 h GLN 506 N 0.07 0.52 -0.83 0.20 7.50 -1.08 -2.19 115.11 119.30 3fg1 h GLN 506 Ca 0.03 -0.03 0.01 0.00 0.50 0.00 0.00 58.65 59.15 3fg1 h GLN 506 Cb 0.04 -0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.41 3fg1 h GLN 506 CO -0.01 0.34 0.55 0.87 -1.50 0.00 0.00 178.83 179.09 3fg1 h LYS 507 N 0.53 1.10 -0.24 1.46 6.56 -1.09 -1.45 116.57 123.44 3fg1 h LYS 507 Ca 0.23 -0.07 0.05 0.00 -1.06 0.00 0.00 60.65 59.80 3fg1 h LYS 507 Cb 0.13 -0.25 -0.04 0.00 -0.57 0.00 0.00 32.23 31.50 3fg1 h LYS 507 CO -0.16 0.73 -0.04 1.49 -2.06 0.00 0.00 179.45 179.41 3fg1 h GLU 508 N 1.13 0.03 -0.45 3.15 4.81 -0.58 -1.99 114.58 120.69 3fg1 h GLU 508 Ca 0.31 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 3fg1 h GLU 508 Cb -0.13 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3fg1 h GLU 508 CO -0.07 0.02 0.07 -0.07 -0.73 0.00 0.00 179.01 178.23 3fg1 h LEU 509 N 0.03 0.65 -0.41 1.64 3.38 -1.01 -0.76 115.31 118.82 3fg1 h LEU 509 Ca 0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3fg1 h LEU 509 Cb 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3fg1 h LEU 509 CO -0.23 0.68 0.21 -0.33 0.09 0.00 0.00 178.44 178.86 3fg1 h GLU 510 N 0.67 0.59 -0.51 1.13 5.08 -0.96 -2.76 114.58 117.82 3fg1 h GLU 510 Ca 0.15 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3fg1 h GLU 510 Cb 0.31 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3fg1 h GLU 510 CO 0.00 0.49 -0.10 0.37 -1.00 0.00 0.00 179.01 178.78 3fg1 h GLN 511 N 0.53 0.93 -0.97 2.33 5.75 -1.03 -2.80 115.11 119.85 3fg1 h GLN 511 Ca 0.14 -0.32 0.17 0.00 -0.15 0.00 0.00 58.65 58.49 3fg1 h GLN 511 Cb 0.08 -0.07 -0.10 0.00 1.07 0.00 0.00 27.48 28.46 3fg1 h GLN 511 CO -0.02 0.98 0.57 0.00 -2.65 0.00 0.00 178.83 177.71 3fg1 h ARG 512 N 0.83 0.76 0.00 1.69 2.47 -0.95 -1.13 114.38 118.05 3fg1 h ARG 512 Ca 0.14 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3fg1 h ARG 512 Cb 0.63 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3fg1 h ARG 512 CO 0.04 0.50 0.00 0.87 0.56 0.00 0.00 179.97 181.94 3fg1 h LYS 513 N 0.78 0.00 0.21 0.04 1.57 -1.22 0.18 116.57 118.13 3fg1 h LYS 513 Ca 0.54 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.98 3fg1 h LYS 513 Cb 0.76 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.09 3fg1 h LYS 513 CO -0.36 0.00 -1.55 -0.07 -0.57 0.00 0.00 179.45 176.90 3fg1 h LEU 514 N 0.00 0.70 -0.16 2.94 3.38 -1.24 -3.38 115.31 117.55 3fg1 h LEU 514 Ca 0.00 -0.84 -0.23 0.00 0.09 0.00 0.00 57.88 56.90 3fg1 h LEU 514 Cb 0.69 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3fg1 h LEU 514 CO 0.00 1.68 -0.94 0.74 0.09 0.00 0.00 178.44 180.01 3fg1 h THR 515 N 0.12 1.38 -3.56 0.22 2.02 -0.80 -3.41 112.91 108.88 3fg1 h THR 515 Ca -0.27 -2.40 -0.68 0.00 0.77 0.00 0.00 66.41 63.83 3fg1 h THR 515 Cb 2.12 2.39 -0.36 0.00 -1.74 0.00 0.00 68.15 70.56 3fg1 h THR 515 CO 0.23 0.72 -0.61 -0.31 0.37 0.00 0.00 175.52 175.92 3fg1 s TYR 516 N -3.30 3.62 0.12 3.16 1.51 0.58 -4.90 117.35 118.14 3fg1 s TYR 516 Ca -0.06 -2.54 0.11 0.00 -1.01 0.00 0.00 57.07 53.56 3fg1 s TYR 516 Cb 0.09 -3.07 -0.04 0.00 -0.11 0.00 0.00 41.96 38.83 3fg1 s TYR 516 CO 0.87 -0.96 -0.27 -0.65 -1.11 0.00 0.00 175.55 173.44 3fg1 s GLN 517 N 1.08 1.44 0.35 -0.62 -0.21 -1.26 -4.61 119.66 115.83 3fg1 s GLN 517 Ca 0.08 -1.33 -0.27 0.00 0.02 0.00 0.00 55.36 53.87 3fg1 s GLN 517 Cb -0.22 -1.91 -0.09 0.00 1.00 0.00 0.00 33.01 31.79 3fg1 s GLN 517 CO -0.05 0.46 1.11 -1.58 -2.12 0.00 0.00 175.29 173.11 3fg1 s TRP 518 N -1.04 3.32 0.14 0.91 0.52 -1.26 -0.43 118.94 121.09 3fg1 s TRP 518 Ca 0.14 1.63 -0.06 0.00 0.02 0.00 0.00 56.10 57.83 3fg1 s TRP 518 Cb -0.10 -3.28 -0.02 0.00 -1.15 0.00 0.00 33.47 28.92 3fg1 s TRP 518 CO 0.06 -0.84 0.19 0.34 0.02 0.00 0.00 176.95 176.72 3fg1 s ASP 519 N -1.15 0.15 -0.07 2.95 -1.08 0.36 -4.57 116.67 113.26 3fg1 s ASP 519 Ca 0.52 -0.93 -0.05 0.00 -0.52 0.00 0.00 52.55 51.58 3fg1 s ASP 519 Cb -0.29 0.37 0.03 0.00 -1.46 0.00 0.00 42.92 41.57 3fg1 s ASP 519 CO 0.37 -0.81 0.17 -0.31 0.52 0.00 0.00 175.17 175.11 3fg1 s TYR 520 N -3.97 -0.20 0.26 -5.34 1.51 -1.26 -0.68 117.35 107.68 3fg1 s TYR 520 Ca 0.16 0.51 0.02 0.00 -1.01 0.00 0.00 57.07 56.75 3fg1 s TYR 520 Cb 0.05 0.02 0.35 0.00 -0.11 0.00 0.00 41.96 42.27 3fg1 s TYR 520 CO -0.02 -0.13 1.67 0.28 -1.11 0.00 0.00 175.55 176.24 3fg1 h VAL 521 N 5.35 1.29 -2.21 0.71 2.07 -1.87 -3.48 116.25 118.12 3fg1 h VAL 521 Ca -0.32 -1.44 0.21 0.00 0.82 0.00 0.00 66.70 65.97 3fg1 h VAL 521 Cb 1.18 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 32.38 3fg1 h VAL 521 CO 0.41 0.45 0.60 -0.94 0.02 0.00 0.00 177.57 178.11 3fg1 s SER 522 N -6.84 -0.09 0.45 0.57 1.04 -1.26 -5.01 113.70 102.56 3fg1 s SER 522 Ca -0.06 -0.43 0.31 0.00 0.48 0.00 0.00 55.95 56.25 3fg1 s SER 522 Cb 0.13 0.41 1.52 0.00 0.10 0.00 0.00 66.02 68.18 3fg1 s SER 522 CO 0.80 -0.78 1.93 0.44 0.98 0.00 0.00 173.24 176.60 3fg1 h ASP 523 N 2.00 0.00 -0.34 7.02 3.32 -2.02 -3.04 116.42 123.36 3fg1 h ASP 523 Ca -0.26 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.65 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 0.29 0.00 -0.02 0.47 -1.72 0.00 0.00 179.24 178.26 3fg1 n ASP 524 N -2.63 2.95 -4.13 6.45 8.00 -1.26 -4.77 116.55 121.16 3fg1 n ASP 524 Ca -0.01 -3.52 -0.19 0.00 0.71 0.00 0.00 54.79 51.78 3fg1 n ASP 524 Cb 0.14 -0.61 -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 -3.11 0.88 0.57 -1.24 -1.94 -1.15 -4.40 119.30 108.90 3fg1 s MET 525 Ca 0.44 -0.73 -0.21 0.00 -1.71 0.00 0.00 55.69 53.48 3fg1 s MET 525 Cb 0.39 -0.87 -0.04 0.00 2.01 0.00 0.00 34.83 36.32 3fg1 s MET 525 CO 0.03 0.21 1.31 -0.35 -0.01 0.00 0.00 175.02 176.22 3fg1 n PRO 526 N 1.91 1.53 -1.94 2.03 -0.04 -1.26 -4.76 135.00 132.47 3fg1 n PRO 526 Ca -0.18 0.57 -0.40 0.00 -0.04 0.00 0.00 63.50 63.44 3fg1 n PRO 526 Cb 0.55 -2.53 -0.01 0.00 -0.04 0.00 0.00 33.50 31.47 3fg1 n PRO 526 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3fg1 s GLY 527 N -1.01 2.95 0.43 0.55 0.00 0.88 -4.72 107.32 106.40 3fg1 s GLY 527 Ca 0.74 1.41 0.04 0.00 0.00 0.00 0.00 44.72 46.91 3fg1 s GLY 527 CO 0.48 2.05 0.02 0.54 0.00 0.00 0.00 173.10 176.19 3fg1 s ASN 528 N -0.40 3.65 0.26 1.64 4.22 0.15 -3.64 114.94 120.82 3fg1 s ASN 528 Ca 0.53 -1.48 -0.30 0.00 -2.14 0.00 0.00 52.86 49.47 3fg1 s ASN 528 Cb -0.43 0.00 -0.09 0.00 1.28 0.00 0.00 41.25 42.02 3fg1 s ASN 528 CO 0.57 -0.64 1.10 -0.51 -2.04 0.00 0.00 177.10 175.58 3fg1 s ILE 529 N -2.89 3.58 -0.36 0.54 2.07 -1.26 -0.48 121.20 122.39 3fg1 s ILE 529 Ca 0.25 1.53 -0.29 0.00 -1.41 0.00 0.00 60.65 60.73 3fg1 s ILE 529 Cb 0.07 -3.97 0.01 0.00 0.13 0.00 0.00 42.46 38.69 3fg1 s ILE 529 CO 0.13 0.34 1.35 -0.75 -1.91 0.00 0.00 174.94 174.10 3fg1 s LYS 530 N -1.18 3.75 -0.30 3.50 2.20 0.43 -4.65 119.74 123.49 3fg1 s LYS 530 Ca 0.46 1.08 -0.15 0.00 -0.36 0.00 0.00 55.97 56.99 3fg1 s LYS 530 Cb -0.31 -3.95 0.16 0.00 -1.51 0.00 0.00 37.83 32.22 3fg1 s LYS 530 CO 0.39 -1.34 1.01 0.00 -0.36 0.00 0.00 175.35 175.05 3fg1 s ALA 531 N 4.88 -2.62 0.07 3.13 0.00 -1.26 -4.76 121.76 121.20 3fg1 s ALA 531 Ca 0.58 2.08 -0.16 0.00 0.00 0.00 0.00 51.96 54.46 3fg1 s ALA 531 Cb -0.15 -1.98 -0.14 0.00 0.00 0.00 0.00 23.12 20.85 3fg1 s ALA 531 CO 0.28 -0.79 1.31 0.87 0.00 0.00 0.00 175.76 177.43 3fg1 h LYS 532 N 7.06 0.61 -4.96 0.00 1.57 -1.92 -3.46 116.57 115.46 3fg1 h LYS 532 Ca -0.19 -0.42 -0.37 0.00 -1.87 0.00 0.00 60.65 57.80 3fg1 h LYS 532 Cb 1.14 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.37 3fg1 h LYS 532 CO 0.11 1.04 -0.62 0.95 -0.57 0.00 0.00 179.45 180.36 3fg1 s THR 533 N -3.95 0.70 0.24 -0.16 -4.23 -1.26 -4.98 115.64 102.00 3fg1 s THR 533 Ca -0.12 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.34 3fg1 s THR 533 Cb 0.07 -2.64 0.20 0.00 1.34 0.00 0.00 72.50 71.47 3fg1 s THR 533 CO 0.83 -0.03 1.76 -0.74 -0.54 0.00 0.00 174.62 175.90 3fg1 h HIS 534 N 2.35 0.62 0.00 3.99 2.76 -1.90 -1.05 115.15 121.93 3fg1 h HIS 534 Ca -0.39 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 3fg1 h HIS 534 Cb 1.24 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.04 3fg1 h HIS 534 CO 0.49 0.17 0.00 -0.25 -1.30 0.00 0.00 177.93 177.03 3fg1 n ASP 535 N -4.91 0.03 0.12 3.26 10.43 -1.26 -1.26 116.55 122.96 3fg1 n ASP 535 Ca 0.13 0.51 0.13 0.00 2.57 0.00 0.00 54.79 58.13 3fg1 n ASP 535 Cb 0.35 -0.51 0.43 0.00 1.84 0.00 0.00 41.12 43.23 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 -1.53 0.78 -4.77 -2.24 8.00 -0.40 -4.87 116.55 111.51 3fg1 n ASP 536 Ca 0.05 0.61 -0.36 0.00 0.71 0.00 0.00 54.79 55.79 3fg1 n ASP 536 Cb 0.25 -0.81 -0.01 0.00 -0.02 0.00 0.00 41.12 40.53 3fg1 n ASP 536 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3fg1 s LEU 537 N -4.55 3.96 0.35 0.64 1.43 -0.39 -4.93 118.68 115.19 3fg1 s LEU 537 Ca 0.08 2.25 -0.27 0.00 -1.03 0.00 0.00 54.13 55.16 3fg1 s LEU 537 Cb 0.11 -4.32 -0.12 0.00 0.03 0.00 0.00 46.19 41.89 3fg1 s LEU 537 CO 0.53 -0.95 1.13 -2.65 0.23 0.00 0.00 176.35 174.64 3fg1 n PRO 538 N -0.65 1.67 0.10 1.29 -0.02 -1.26 -4.78 135.00 131.35 3fg1 n PRO 538 Ca 0.08 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 62.22 3fg1 n PRO 538 Cb 0.49 -2.10 0.53 0.00 -0.02 0.00 0.00 33.50 32.40 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 2.09 0.28 -0.15 -0.52 2.43 -1.95 -0.30 114.38 116.26 3fg1 h ARG 539 Ca -0.44 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.76 3fg1 h ARG 539 Cb 1.32 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3fg1 h ARG 539 CO 0.60 0.19 0.13 -0.44 -1.51 0.00 0.00 179.97 178.94 3fg1 h ASP 540 N 0.29 0.00 -0.09 -3.80 3.32 -1.93 -2.66 116.42 111.54 3fg1 h ASP 540 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3fg1 h ASP 540 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3fg1 h ASP 540 CO -0.02 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.83 3fg1 n VAL 541 N -4.21 0.20 -1.38 -1.35 0.24 -0.17 -5.00 118.33 106.66 3fg1 n VAL 541 Ca 0.01 -0.60 -0.31 0.00 -2.04 0.00 0.00 64.34 61.40 3fg1 n VAL 541 Cb 0.25 1.11 0.08 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.04 2.49 0.50 7.34 -0.21 -0.92 -3.43 119.66 124.40 3fg1 s GLN 542 Ca 0.17 1.11 -0.22 0.00 0.02 0.00 0.00 55.36 56.44 3fg1 s GLN 542 Cb 0.11 -1.93 -0.08 0.00 1.00 0.00 0.00 33.01 32.11 3fg1 s GLN 542 CO 0.16 -1.46 1.05 1.19 -2.12 0.00 0.00 175.29 174.12 3fg1 n PHE 543 N -3.35 1.25 -0.83 0.91 3.72 -1.26 -4.88 117.46 113.02 3fg1 n PHE 543 Ca 0.09 0.49 -0.33 0.00 -0.05 0.00 0.00 57.45 57.65 3fg1 n PHE 543 Cb 0.53 -2.23 0.13 0.00 -0.94 0.00 0.00 39.48 36.98 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 -0.94 0.35 0.14 4.37 -2.24 -1.26 -4.74 114.28 109.96 3fg1 n THR 544 Ca 0.10 -0.15 0.04 0.00 -2.27 0.00 0.00 64.05 61.77 3fg1 n THR 544 Cb 0.43 -0.80 0.44 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.51 0.19 -0.40 3.42 5.19 -1.94 0.40 116.42 121.77 3fg1 h ASP 545 Ca -0.44 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 55.93 3fg1 h ASP 545 Cb 1.28 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.73 3fg1 h ASP 545 CO 0.38 0.30 0.21 -0.33 -3.12 0.00 0.00 179.24 176.68 3fg1 h GLU 546 N 0.20 0.56 -0.20 3.56 3.07 -1.92 -0.09 114.58 119.76 3fg1 h GLU 546 Ca 0.05 -0.07 -0.20 0.00 -0.50 0.00 0.00 59.36 58.63 3fg1 h GLU 546 Cb 0.26 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3fg1 h GLU 546 CO 0.01 0.46 -0.68 -0.22 -1.40 0.00 0.00 179.01 177.18 3fg1 h LYS 547 N 0.51 0.77 -0.58 2.33 1.63 -1.79 -0.50 116.57 118.94 3fg1 h LYS 547 Ca 0.14 -0.57 0.11 0.00 -0.85 0.00 0.00 60.65 59.48 3fg1 h LYS 547 Cb 0.07 0.10 -0.08 0.00 -0.60 0.00 0.00 32.23 31.72 3fg1 h LYS 547 CO -0.02 1.19 0.12 0.77 -3.45 0.00 0.00 179.45 178.06 3fg1 h SER 548 N 0.55 0.01 -0.59 4.20 0.02 -0.80 0.11 113.55 117.05 3fg1 h SER 548 Ca -0.02 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 3fg1 h SER 548 Cb 1.29 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 3fg1 h SER 548 CO 0.14 0.02 0.10 -0.09 -1.14 0.00 0.00 176.83 175.86 3fg1 h ARG 549 N 0.26 0.97 -0.30 3.45 2.43 -0.83 0.47 114.38 120.82 3fg1 h ARG 549 Ca 0.30 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3fg1 h ARG 549 Cb 0.44 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3fg1 h ARG 549 CO -0.38 0.92 0.19 1.03 -1.51 0.00 0.00 179.97 180.21 3fg1 h SER 550 N 0.87 0.33 0.13 -3.80 0.87 -0.62 0.57 113.55 111.90 3fg1 h SER 550 Ca 0.18 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3fg1 h SER 550 Cb 0.41 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3fg1 h SER 550 CO 0.01 0.24 -0.06 0.22 -0.53 0.00 0.00 176.83 176.70 3fg1 h TYR 551 N 0.39 -0.16 -0.73 2.24 3.20 -0.62 -1.96 116.97 119.32 3fg1 h TYR 551 Ca 0.11 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.00 3fg1 h TYR 551 Cb -0.04 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3fg1 h TYR 551 CO -0.06 0.05 0.47 1.96 -1.64 0.00 0.00 178.16 178.93 3fg1 h GLN 552 N -0.35 0.89 -0.02 1.82 4.20 -0.74 -1.73 115.11 119.19 3fg1 h GLN 552 Ca -0.02 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 3fg1 h GLN 552 Cb 0.28 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3fg1 h GLN 552 CO 0.03 0.59 -0.70 0.93 -0.67 0.00 0.00 178.83 179.01 3fg1 h GLU 553 N 0.92 0.10 -0.82 1.46 5.08 -0.91 -2.27 114.58 118.12 3fg1 h GLU 553 Ca 0.29 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 3fg1 h GLU 553 Cb -0.01 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3fg1 h GLU 553 CO -0.10 0.76 0.36 0.66 -1.00 0.00 0.00 179.01 179.69 3fg1 h SER 554 N 0.06 1.11 -0.55 1.42 4.64 -0.82 0.22 113.55 119.63 3fg1 h SER 554 Ca -0.01 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 3fg1 h SER 554 Cb 1.24 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 3fg1 h SER 554 CO 0.10 0.96 0.19 0.03 -0.87 0.00 0.00 176.83 177.24 3fg1 h ARG 555 N 1.19 0.84 -0.18 4.77 2.47 -1.19 0.02 114.38 122.29 3fg1 h ARG 555 Ca 0.28 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.80 3fg1 h ARG 555 Cb 0.17 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 3fg1 h ARG 555 CO -0.03 0.75 -0.01 0.87 0.56 0.00 0.00 179.97 182.12 3fg1 h LYS 556 N 0.75 0.32 -0.79 0.04 1.57 -1.06 -2.38 116.57 115.03 3fg1 h LYS 556 Ca 0.18 -0.11 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3fg1 h LYS 556 Cb 0.25 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 3fg1 h LYS 556 CO -0.01 0.54 0.47 0.00 -0.57 0.00 0.00 179.45 179.89 3fg1 h ALA 557 N 0.77 1.07 -0.36 3.86 0.00 -0.48 -1.57 119.26 122.53 3fg1 h ALA 557 Ca 0.05 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3fg1 h ALA 557 Cb 0.40 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3fg1 h ALA 557 CO 0.01 0.20 0.09 0.00 0.00 0.00 0.00 179.25 179.55 3fg1 h ALA 558 N 1.38 0.40 -0.81 0.00 0.00 -0.87 0.23 119.26 119.59 3fg1 h ALA 558 Ca 0.34 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3fg1 h ALA 558 Cb 0.16 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3fg1 h ALA 558 CO -0.17 -0.31 0.51 -0.07 0.00 0.00 0.00 179.25 179.21 3fg1 h LEU 559 N 0.22 0.96 -0.22 0.00 3.38 -0.94 0.16 115.31 118.87 3fg1 h LEU 559 Ca 0.17 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3fg1 h LEU 559 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3fg1 h LEU 559 CO -0.21 0.72 -0.03 0.58 0.09 0.00 0.00 178.44 179.59 3fg1 h VAL 560 N 1.11 1.27 -0.51 1.22 2.07 -0.92 -1.58 116.25 118.91 3fg1 h VAL 560 Ca 0.29 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 3fg1 h VAL 560 Cb -0.08 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3fg1 h VAL 560 CO -0.06 0.30 -0.02 0.78 0.02 0.00 0.00 177.57 178.59 3fg1 h ASN 561 N 0.15 0.90 -0.34 0.57 2.35 -0.26 0.14 115.58 119.09 3fg1 h ASN 561 Ca 0.06 -0.32 0.05 0.00 -0.55 0.00 0.00 56.30 55.54 3fg1 h ASN 561 Cb 0.46 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 3fg1 h ASN 561 CO 0.02 1.00 0.08 -0.07 -1.65 0.00 0.00 177.43 176.80 3fg1 h LEU 562 N 0.78 0.03 -0.55 1.61 3.38 -0.70 0.69 115.31 120.55 3fg1 h LEU 562 Ca 0.14 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 3fg1 h LEU 562 Cb 0.55 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3fg1 h LEU 562 CO 0.03 0.05 -0.10 1.23 0.09 0.00 0.00 178.44 179.74 3fg1 h GLY 563 N 0.20 1.12 0.69 0.83 0.00 -0.75 0.32 103.07 105.47 3fg1 h GLY 563 Ca 0.16 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 3fg1 h GLY 563 CO -0.20 0.83 -0.02 -2.22 0.00 0.00 0.00 176.54 174.93 3fg1 h ILE 564 N 0.91 1.30 -1.01 2.60 2.04 -0.66 -2.12 117.51 120.57 3fg1 h ILE 564 Ca 0.14 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.13 3fg1 h ILE 564 Cb 0.67 1.77 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 3fg1 h ILE 564 CO 0.05 0.26 0.65 1.23 0.00 0.00 0.00 178.15 180.34 3fg1 h GLY 565 N -0.19 1.53 1.00 5.37 0.00 -0.79 -0.60 103.07 109.38 3fg1 h GLY 565 Ca 0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3fg1 h GLY 565 CO 0.01 0.34 -0.07 0.23 0.00 0.00 0.00 176.54 177.05 3fg1 h SER 566 N 1.18 -0.16 -0.69 0.19 0.87 -0.28 -1.54 113.55 113.13 3fg1 h SER 566 Ca 0.43 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 61.04 3fg1 h SER 566 Cb 0.17 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.12 3fg1 h SER 566 CO -0.17 -0.11 0.40 -0.07 -0.53 0.00 0.00 176.83 176.35 3fg1 h LEU 567 N -0.19 0.63 -0.53 2.23 3.38 -0.99 -0.60 115.31 119.23 3fg1 h LEU 567 Ca -0.02 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3fg1 h LEU 567 Cb 0.15 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3fg1 h LEU 567 CO 0.03 0.42 -0.12 0.15 0.09 0.00 0.00 178.44 179.01 3fg1 h PHE 568 N 0.76 1.15 -0.60 1.13 3.04 -0.94 -3.13 116.94 118.36 3fg1 h PHE 568 Ca 0.29 -0.25 0.00 0.00 3.98 0.00 0.00 57.97 62.00 3fg1 h PHE 568 Cb 0.12 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.35 3fg1 h PHE 568 CO -0.06 1.07 0.00 0.25 -2.02 0.00 0.00 178.31 177.55 3fg1 n THR 569 N -4.15 0.84 -0.22 4.41 -2.24 -0.59 -4.69 114.28 107.64 3fg1 n THR 569 Ca 0.01 -0.92 0.01 0.00 -2.27 0.00 0.00 64.05 60.88 3fg1 n THR 569 Cb 0.41 0.66 0.09 0.00 -2.10 0.00 0.00 70.33 69.39 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 4.17 0.04 -0.47 -0.78 4.05 -1.04 -2.10 114.93 118.81 3fg1 h MET 570 Ca 0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3fg1 h MET 570 Cb 0.97 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 3fg1 h MET 570 CO 0.00 0.03 0.00 1.19 0.23 0.00 0.00 176.91 178.36 3fg1 n PHE 571 N -5.38 1.26 -2.55 1.39 3.01 -1.26 -4.94 117.46 108.99 3fg1 n PHE 571 Ca 0.09 -0.70 -0.42 0.00 1.01 0.00 0.00 57.45 57.43 3fg1 n PHE 571 Cb 0.35 -0.28 -0.03 0.00 -0.01 0.00 0.00 39.48 39.52 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 -2.17 4.41 -0.12 -1.08 2.02 -0.79 -5.02 118.70 115.95 3fg1 s GLU 572 Ca 0.45 1.57 -0.18 0.00 0.02 0.00 0.00 54.97 56.83 3fg1 s GLU 572 Cb 0.32 -3.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 3fg1 s GLU 572 CO 0.17 -0.32 0.47 0.54 0.02 0.00 0.00 175.26 176.14 3fg1 s ASN 573 N 1.24 6.68 0.04 -0.19 2.20 -1.26 -5.06 114.94 118.59 3fg1 s ASN 573 Ca 0.54 0.81 -0.18 0.00 -0.94 0.00 0.00 52.86 53.09 3fg1 s ASN 573 Cb -0.23 -2.28 -0.06 0.00 -2.00 0.00 0.00 41.25 36.67 3fg1 s ASN 573 CO 0.23 0.00 0.51 0.26 -2.94 0.00 0.00 177.10 175.17 3fg1 s TRP 574 N 0.62 3.78 0.00 1.54 0.52 -1.26 -4.88 118.94 119.26 3fg1 s TRP 574 Ca 0.26 1.17 0.00 0.00 0.02 0.00 0.00 56.10 57.55 3fg1 s TRP 574 Cb -0.15 -2.43 0.00 0.00 -1.15 0.00 0.00 33.47 29.74 3fg1 s TRP 574 CO 0.10 0.60 0.00 -3.47 0.02 0.00 0.00 176.95 174.20 3fg1 n ASP 575 N 1.80 0.00 -3.83 2.95 2.03 -1.26 -5.57 116.55 112.68 3fg1 n ASP 575 Ca -0.11 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.10 3fg1 n ASP 575 Cb 0.51 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.86 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 0.00 -0.10 0.26 1.67 1.04 -1.26 -4.98 113.70 110.33 3fg1 s SER 576 Ca 0.00 -0.64 -0.03 0.00 0.48 0.00 0.00 55.95 55.76 3fg1 s SER 576 Cb 0.00 0.49 0.34 0.00 0.10 0.00 0.00 66.02 66.94 3fg1 s SER 576 CO 0.00 -0.93 1.85 1.88 0.98 0.00 0.00 173.24 177.01 3fg1 h TYR 577 N 2.41 1.02 0.00 5.02 0.99 -2.02 -2.90 116.97 121.48 3fg1 h TYR 577 Ca -0.31 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.36 3fg1 h TYR 577 Cb 1.24 -0.31 0.00 0.00 1.00 0.00 0.00 36.73 38.66 3fg1 h TYR 577 CO 0.37 0.77 0.00 -0.44 -0.00 0.00 0.00 178.16 178.86 3fg1 h ASP 578 N 1.00 0.00 -0.14 3.88 3.32 -2.01 -2.26 116.42 120.20 3fg1 h ASP 578 Ca 0.24 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.33 3fg1 h ASP 578 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3fg1 h ASP 578 CO -0.02 0.00 0.10 0.44 -1.72 0.00 0.00 179.24 178.04 3fg1 h ASP 579 N 0.00 0.00 0.94 6.45 3.45 -1.92 -2.64 116.42 122.70 3fg1 h ASP 579 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 3fg1 h ASP 579 Cb 0.15 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3fg1 h ASP 579 CO 0.00 0.00 -0.09 1.88 -1.57 0.00 0.00 179.24 179.46 3fg1 h TYR 580 N 0.00 0.00 -0.14 4.55 -1.99 -1.61 -2.91 116.97 114.87 3fg1 h TYR 580 Ca 0.07 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.84 3fg1 h TYR 580 Cb 0.28 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 3fg1 h TYR 580 CO 0.00 0.09 0.11 0.45 -0.00 0.00 0.00 178.16 178.80 3fg1 h HIS 581 N 0.00 0.00 0.00 4.88 3.86 -1.66 -2.54 115.15 119.69 3fg1 h HIS 581 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3fg1 h HIS 581 Cb 0.58 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 3fg1 h HIS 581 CO 0.00 0.00 -0.02 0.97 0.86 0.00 0.00 177.93 179.74 3fg1 h ILE 582 N 0.00 0.98 0.00 2.45 6.09 -1.72 -3.11 117.51 122.20 3fg1 h ILE 582 Ca 0.07 -0.07 -0.05 0.00 -1.37 0.00 0.00 64.86 63.44 3fg1 h ILE 582 Cb 0.28 1.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.60 3fg1 h ILE 582 CO -0.00 0.02 -0.23 -0.07 -3.07 0.00 0.00 178.15 174.80 3fg1 h LEU 583 N 0.00 0.00 -1.31 2.19 3.38 -1.68 -2.57 115.31 115.32 3fg1 h LEU 583 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fg1 h LEU 583 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fg1 h LEU 583 CO 0.00 0.23 -0.17 0.00 0.09 0.00 0.00 178.44 178.59 3fg1 n TYR 584 N -3.50 0.00 -0.06 1.13 0.18 -1.17 -4.56 117.16 109.17 3fg1 n TYR 584 Ca -0.01 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.68 3fg1 n TYR 584 Cb 0.39 -0.01 0.06 0.00 -0.38 0.00 0.00 39.34 39.40 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 3.21 0.73 -0.86 -3.48 2.43 -1.57 -2.96 114.38 111.87 3fg1 h ARG 585 Ca 0.00 -0.35 -0.24 0.00 -0.81 0.00 0.00 59.98 58.57 3fg1 h ARG 585 Cb 0.78 -0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.19 3fg1 h ARG 585 CO 0.00 0.97 0.31 0.27 -1.51 0.00 0.00 179.97 180.01 3fg1 n ASN 586 N -4.06 4.07 -4.37 -3.80 6.94 -1.26 -4.90 115.26 107.89 3fg1 n ASN 586 Ca -0.01 -3.05 -0.31 0.00 -0.02 0.00 0.00 54.58 51.19 3fg1 n ASN 586 Cb 0.50 -0.72 -0.14 0.00 -2.36 0.00 0.00 39.78 37.06 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 -2.52 2.39 -0.66 -2.53 0.52 -1.12 -4.92 118.94 110.10 3fg1 s TRP 587 Ca 0.44 -0.37 -0.22 0.00 0.02 0.00 0.00 56.10 55.96 3fg1 s TRP 587 Cb 0.36 -1.44 0.07 0.00 -1.15 0.00 0.00 33.47 31.31 3fg1 s TRP 587 CO 0.10 0.12 0.95 0.42 0.02 0.00 0.00 176.95 178.57 3fg1 s ILE 588 N -0.79 4.35 -0.48 2.03 -1.09 -1.26 -4.77 121.20 119.19 3fg1 s ILE 588 Ca 0.12 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.19 3fg1 s ILE 588 Cb -0.10 -4.68 0.00 0.00 -1.58 0.00 0.00 42.46 36.11 3fg1 s ILE 588 CO 0.02 -1.44 0.48 0.18 -1.23 0.00 0.00 174.94 172.94 3fg1 n LEU 589 N 7.63 0.95 0.00 2.97 4.77 -1.26 -4.99 117.00 127.07 3fg1 n LEU 589 Ca -0.04 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 3fg1 n LEU 589 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3fg1 n LEU 589 CO 0.64 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 3fg1 n GLY 590 N 0.62 0.65 0.00 -0.72 0.00 -1.26 -4.96 105.19 99.52 3fg1 n GLY 590 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.60 4.08 3.65 -0.02 0.00 -1.26 -5.07 105.19 103.97 3fg1 n GLY 591 Ca 0.00 -1.55 -0.44 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.60 1.60 -1.67 2.61 -1.04 -1.26 -4.86 114.28 108.06 3fg1 n THR 592 Ca 0.00 -0.40 -0.45 0.00 -2.04 0.00 0.00 64.05 61.16 3fg1 n THR 592 Cb 0.00 -1.30 -0.03 0.00 -1.82 0.00 0.00 70.33 67.18 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 1.13 2.07 0.00 -2.82 -0.02 -1.26 -4.84 135.00 129.26 3fg1 n PRO 593 Ca 0.09 0.74 0.06 0.00 -2.02 0.00 0.00 63.50 62.37 3fg1 n PRO 593 Cb 0.32 -2.44 0.28 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.59 0.00 -0.65 2.55 2.04 -1.26 -1.56 115.26 118.96 3fg1 n ASN 594 Ca 0.13 0.46 0.12 0.00 -0.44 0.00 0.00 54.58 54.86 3fg1 n ASN 594 Cb 0.30 -0.48 0.17 0.00 -2.53 0.00 0.00 39.78 37.24 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 -1.48 1.68 0.11 -3.83 2.81 -1.26 -4.59 117.12 110.57 3fg1 n MET 595 Ca 0.03 -1.30 0.05 0.00 -1.81 0.00 0.00 57.70 54.67 3fg1 n MET 595 Cb 0.15 -1.47 0.48 0.00 -0.71 0.00 0.00 33.22 31.66 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 4.26 1.74 -0.01 3.04 0.00 -1.59 -0.07 119.26 126.64 3fg1 h ALA 596 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fg1 h ALA 596 Cb 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3fg1 h ALA 596 CO 0.00 0.21 -0.27 -0.40 0.00 0.00 0.00 179.25 178.79 3fg1 n ASP 597 N -4.44 1.27 0.00 0.00 3.85 -1.26 -4.48 116.55 111.49 3fg1 n ASP 597 Ca 0.00 -1.07 0.00 0.00 -0.71 0.00 0.00 54.79 53.01 3fg1 n ASP 597 Cb 0.13 0.18 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 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 -0.44 0.00 0.09 0.11 1.85 -0.63 -4.88 116.66 112.76 3fg1 n ARG 598 Ca 0.12 -0.32 0.09 0.00 -1.00 0.00 0.00 57.85 56.74 3fg1 n ARG 598 Cb 0.37 -0.46 0.55 0.00 -1.05 0.00 0.00 32.46 31.88 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 0.24 0.00 2.89 5.08 -1.27 -2.09 115.95 120.80 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 0.85 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 3fg1 h TRP 599 CO 0.00 0.14 0.00 -2.39 -1.28 0.00 0.00 178.44 174.91 3fg1 n HIS 600 N -4.49 0.38 -3.11 0.12 1.44 -1.26 -4.47 115.22 103.83 3fg1 n HIS 600 Ca 0.03 0.11 -0.39 0.00 -2.01 0.00 0.00 57.72 55.46 3fg1 n HIS 600 Cb 0.19 -0.68 -0.05 0.00 0.12 0.00 0.00 29.99 29.56 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 -3.05 4.40 0.27 -1.40 2.02 -0.79 -4.97 118.70 115.18 3fg1 s GLU 601 Ca 0.12 0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.88 3fg1 s GLU 601 Cb 0.16 -3.46 0.60 0.00 0.10 0.00 0.00 34.13 31.53 3fg1 s GLU 601 CO 0.55 0.06 1.73 -0.44 0.02 0.00 0.00 175.26 177.17 3fg1 h ASP 602 N 6.81 0.40 -0.36 -0.19 3.32 -1.88 0.60 116.42 125.13 3fg1 h ASP 602 Ca -0.40 0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.78 3fg1 h ASP 602 Cb 1.19 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 3fg1 h ASP 602 CO 0.76 0.11 0.22 -0.09 -1.72 0.00 0.00 179.24 178.52 3fg1 h ARG 603 N 0.50 0.44 0.00 3.56 1.12 -1.93 -0.55 114.38 117.52 3fg1 h ARG 603 Ca 0.49 -0.03 -0.12 0.00 -1.11 0.00 0.00 59.98 59.21 3fg1 h ARG 603 Cb 0.81 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.65 3fg1 h ARG 603 CO -0.44 0.29 -0.59 -1.49 -3.11 0.00 0.00 179.97 174.63 3fg1 h TRP 604 N 0.46 0.00 -0.20 2.20 4.06 -1.50 -0.36 115.95 120.60 3fg1 h TRP 604 Ca 0.14 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.07 3fg1 h TRP 604 Cb -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 3fg1 h TRP 604 CO -0.06 0.59 0.08 0.35 -3.56 0.00 0.00 178.44 175.84 3fg1 h PHE 605 N 0.00 0.31 -0.59 0.49 3.57 -0.61 -3.12 116.94 116.99 3fg1 h PHE 605 Ca -0.01 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 3fg1 h PHE 605 Cb 1.20 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 3fg1 h PHE 605 CO 0.00 0.36 0.13 0.78 -2.23 0.00 0.00 178.31 177.35 3fg1 h GLY 606 N 0.17 1.02 -0.11 2.40 0.00 -0.99 -3.10 103.07 102.46 3fg1 h GLY 606 Ca 0.07 -0.65 0.24 0.00 0.00 0.00 0.00 47.33 46.99 3fg1 h GLY 606 CO -0.01 0.60 0.61 -1.82 0.00 0.00 0.00 176.54 175.93 3fg1 h TYR 607 N 0.85 0.95 0.00 5.60 3.20 -1.02 -1.05 116.97 125.50 3fg1 h TYR 607 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3fg1 h TYR 607 Cb 0.36 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3fg1 h TYR 607 CO 0.03 0.09 0.00 1.04 -1.64 0.00 0.00 178.16 177.67 3fg1 n GLN 608 N -4.82 0.03 0.11 1.82 6.02 -1.17 -1.53 117.38 117.84 3fg1 n GLN 608 Ca 0.26 0.12 0.13 0.00 -0.01 0.00 0.00 57.00 57.50 3fg1 n GLN 608 Cb 0.75 -1.54 0.45 0.00 1.02 0.00 0.00 30.24 30.92 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 -1.59 0.85 -0.11 1.08 3.01 -0.40 -1.10 117.46 119.21 3fg1 n PHE 609 Ca 0.05 0.28 -0.16 0.00 1.01 0.00 0.00 57.45 58.64 3fg1 n PHE 609 Cb 0.28 -0.96 -0.11 0.00 -0.01 0.00 0.00 39.48 38.69 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 -2.23 2.77 0.00 4.37 4.77 -0.68 -4.44 117.00 121.57 3fg1 n LEU 610 Ca 0.04 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3fg1 n LEU 610 Cb 0.34 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3fg1 n LEU 610 CO 0.26 0.86 0.36 0.59 -1.33 0.00 0.00 177.39 178.13 3fg1 n ASN 611 N -3.14 1.12 -1.55 -1.43 3.02 -0.58 -4.23 115.26 108.47 3fg1 n ASN 611 Ca -0.40 -1.52 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 3fg1 n ASN 611 Cb 0.95 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.12 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 -0.26 0.65 0.17 7.41 0.00 -0.25 -4.94 105.19 107.97 3fg1 n GLY 612 Ca 0.00 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.52 1.00 -2.10 4.61 0.00 -1.82 -3.36 119.26 116.08 3fg1 h ALA 613 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 3fg1 h ALA 613 Cb 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.37 3fg1 h ALA 613 CO 0.00 0.00 -0.76 -1.71 0.00 0.00 0.00 179.25 176.78 3fg1 n ASN 614 N -2.66 3.81 -1.37 0.00 4.05 -1.26 -4.39 115.26 113.44 3fg1 n ASN 614 Ca 0.04 -3.55 -0.04 0.00 0.45 0.00 0.00 54.58 51.48 3fg1 n ASN 614 Cb 0.43 -0.56 0.02 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 -0.18 1.20 0.00 1.20 -0.04 -1.26 -4.12 135.00 131.81 3fg1 n PRO 615 Ca 0.30 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3fg1 n PRO 615 Cb 0.48 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.65 0.00 -0.03 0.52 0.24 -1.26 -4.73 118.33 113.72 3fg1 n VAL 616 Ca 0.09 -0.48 -0.02 0.00 -2.04 0.00 0.00 64.34 61.88 3fg1 n VAL 616 Cb 0.60 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.93 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 -0.40 0.41 -1.67 1.34 3.06 -1.26 -4.99 119.36 115.85 3fg1 n ILE 617 Ca 0.00 -0.30 -0.46 0.00 -2.50 0.00 0.00 62.75 59.50 3fg1 n ILE 617 Cb 0.00 -0.56 -0.04 0.00 0.54 0.00 0.00 39.64 39.59 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 -2.18 3.11 -4.15 9.51 7.94 -1.26 -4.69 117.00 125.28 3fg1 n LEU 618 Ca -0.10 1.10 -0.18 0.00 -1.11 0.00 0.00 56.01 55.72 3fg1 n LEU 618 Cb 0.63 -1.43 -0.12 0.00 0.53 0.00 0.00 43.42 43.03 3fg1 n LEU 618 CO 0.16 -0.34 -0.45 -0.89 -1.11 0.00 0.00 177.39 174.76 3fg1 s THR 619 N 0.62 1.02 0.27 1.96 2.01 0.58 -4.91 115.64 117.19 3fg1 s THR 619 Ca 0.76 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 3fg1 s THR 619 Cb -0.67 -0.98 -0.12 0.00 0.01 0.00 0.00 72.50 70.74 3fg1 s THR 619 CO 0.41 -0.20 1.64 -1.14 -0.69 0.00 0.00 174.62 174.64 3fg1 n ARG 620 N 1.45 2.76 -3.25 4.92 0.63 0.60 -0.02 116.66 123.76 3fg1 n ARG 620 Ca -0.21 0.99 -0.41 0.00 -0.92 0.00 0.00 57.85 57.29 3fg1 n ARG 620 Cb 0.54 -2.79 -0.08 0.00 0.45 0.00 0.00 32.46 30.58 3fg1 n ARG 620 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fg1 n ASP 622 N 5.74 0.51 -3.64 0.00 8.00 -1.26 -4.74 116.55 121.17 3fg1 n ASP 622 Ca -0.05 -0.47 -0.06 0.00 0.71 0.00 0.00 54.79 54.92 3fg1 n ASP 622 Cb 0.49 1.43 -0.07 0.00 -0.02 0.00 0.00 41.12 42.95 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 -3.25 -2.09 0.45 2.24 0.00 -1.26 -4.84 121.76 112.99 3fg1 s ALA 623 Ca 0.00 2.00 -0.25 0.00 0.00 0.00 0.00 51.96 53.71 3fg1 s ALA 623 Cb 0.15 -1.55 -0.09 0.00 0.00 0.00 0.00 23.12 21.63 3fg1 s ALA 623 CO 0.88 -0.27 1.41 1.28 0.00 0.00 0.00 175.76 179.06 3fg1 n LEU 624 N 2.77 4.94 -4.76 0.00 7.99 -1.26 -4.98 117.00 121.70 3fg1 n LEU 624 Ca -0.15 1.12 -0.37 0.00 -0.01 0.00 0.00 56.01 56.60 3fg1 n LEU 624 Cb 0.57 -1.59 0.02 0.00 -0.11 0.00 0.00 43.42 42.31 3fg1 n LEU 624 CO 0.02 -0.24 0.88 -2.84 -1.51 0.00 0.00 177.39 173.71 3fg1 s PRO 625 N -2.41 3.31 0.50 3.23 0.02 -1.26 -4.92 135.00 133.48 3fg1 s PRO 625 Ca 0.61 1.94 0.28 0.00 0.02 0.00 0.00 61.00 63.85 3fg1 s PRO 625 Cb -0.46 -2.21 1.27 0.00 0.02 0.00 0.00 34.50 33.12 3fg1 s PRO 625 CO 0.58 -0.96 1.97 0.66 -0.33 0.00 0.00 177.00 178.91 3fg1 h SER 626 N 1.49 0.00 -0.30 2.53 4.64 -2.01 -1.21 113.55 118.69 3fg1 h SER 626 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3fg1 h SER 626 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3fg1 h SER 626 CO 0.58 0.14 0.00 -0.46 -0.87 0.00 0.00 176.83 176.21 3fg1 n ASN 627 N -3.40 1.88 -3.46 4.97 2.04 -1.26 -4.34 115.26 111.69 3fg1 n ASN 627 Ca -0.01 -1.90 -0.27 0.00 -0.44 0.00 0.00 54.58 51.96 3fg1 n ASN 627 Cb 0.32 -0.20 -0.09 0.00 -2.53 0.00 0.00 39.78 37.28 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 0.50 0.75 -1.49 -2.53 7.35 -0.46 -3.84 117.46 117.73 3fg1 n PHE 628 Ca 0.14 -3.70 -0.33 0.00 -0.76 0.00 0.00 57.45 52.79 3fg1 n PHE 628 Cb 0.32 -0.19 -0.05 0.00 0.35 0.00 0.00 39.48 39.91 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 2.03 3.52 -2.49 -7.13 -0.04 -1.26 -4.48 135.00 125.15 3fg1 n PRO 629 Ca 0.26 -2.41 -0.41 0.00 -0.04 0.00 0.00 63.50 60.90 3fg1 n PRO 629 Cb 0.45 -2.52 -0.04 0.00 -0.04 0.00 0.00 33.50 31.35 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 0.33 3.82 0.37 0.52 1.01 -1.26 -5.04 120.40 120.15 3fg1 s VAL 630 Ca 0.63 1.56 0.08 0.00 0.00 0.00 0.00 61.98 64.25 3fg1 s VAL 630 Cb 0.23 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 3fg1 s VAL 630 CO -0.08 0.27 0.11 0.42 0.00 0.00 0.00 175.10 175.81 3fg1 s THR 631 N -0.21 2.58 0.37 3.92 -4.23 -1.26 -5.02 115.64 111.80 3fg1 s THR 631 Ca 0.50 -1.80 0.05 0.00 -1.18 0.00 0.00 61.69 59.25 3fg1 s THR 631 Cb -0.30 -2.92 0.27 0.00 1.34 0.00 0.00 72.50 70.89 3fg1 s THR 631 CO 0.35 -0.11 2.01 0.78 -0.54 0.00 0.00 174.62 177.11 3fg1 h ASN 632 N 1.60 0.63 -0.76 3.99 2.35 -1.98 -2.43 115.58 118.98 3fg1 h ASN 632 Ca -0.43 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.29 3fg1 h ASN 632 Cb 1.25 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.43 3fg1 h ASN 632 CO 0.68 0.44 0.40 -0.33 -1.65 0.00 0.00 177.43 176.96 3fg1 h GLU 633 N 0.74 1.08 -0.90 0.81 3.07 -2.00 0.14 114.58 117.51 3fg1 h GLU 633 Ca 0.23 -0.14 0.09 0.00 -0.50 0.00 0.00 59.36 59.04 3fg1 h GLU 633 Cb 0.01 -0.21 -0.07 0.00 -0.84 0.00 0.00 28.75 27.64 3fg1 h GLU 633 CO -0.06 0.81 0.55 0.45 -1.40 0.00 0.00 179.01 179.37 3fg1 h HIS 634 N 1.08 1.01 0.00 4.33 3.86 -1.83 -3.37 115.15 120.23 3fg1 h HIS 634 Ca 0.27 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 3fg1 h HIS 634 Cb 0.07 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.22 3fg1 h HIS 634 CO 0.01 0.45 0.00 1.33 0.86 0.00 0.00 177.93 180.58 3fg1 n VAL 635 N -4.65 0.26 -0.17 2.45 0.24 -0.90 -4.76 118.33 110.80 3fg1 n VAL 635 Ca 0.15 -0.46 0.05 0.00 -2.04 0.00 0.00 64.34 62.03 3fg1 n VAL 635 Cb 0.26 1.07 0.34 0.00 -1.47 0.00 0.00 33.84 34.04 3fg1 n VAL 635 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3fg1 h ASN 636 N 0.00 0.68 0.10 -1.34 -1.07 -0.91 -0.79 115.58 112.26 3fg1 h ASN 636 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3fg1 h ASN 636 Cb 0.36 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.45 3fg1 h ASN 636 CO 0.00 0.46 0.00 0.00 0.07 0.00 0.00 177.43 177.96 3fg1 h ALA 637 N 1.61 1.00 0.00 4.14 0.00 -1.85 -2.05 119.26 122.10 3fg1 h ALA 637 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3fg1 h ALA 637 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3fg1 h ALA 637 CO -0.08 0.00 -1.50 0.43 0.00 0.00 0.00 179.25 178.09 3fg1 n SER 638 N -2.77 0.52 -4.80 0.00 7.64 -0.32 -4.95 113.62 108.95 3fg1 n SER 638 Ca -0.02 0.21 -0.34 0.00 1.01 0.00 0.00 58.87 59.73 3fg1 n SER 638 Cb 0.08 0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 64.18 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 -5.18 3.87 0.00 -3.43 1.43 -0.77 -4.98 118.68 109.62 3fg1 s LEU 639 Ca -0.04 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 3fg1 s LEU 639 Cb 0.11 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.79 3fg1 s LEU 639 CO 0.84 -0.77 0.61 -0.90 0.23 0.00 0.00 176.35 176.35 3fg1 n ASP 640 N -0.91 0.00 -0.65 2.29 5.75 -1.26 -4.91 116.55 116.86 3fg1 n ASP 640 Ca 0.09 -1.26 0.06 0.00 -0.01 0.00 0.00 54.79 53.67 3fg1 n ASP 640 Cb 0.52 -0.05 0.16 0.00 -1.03 0.00 0.00 41.12 40.72 3fg1 n ASP 640 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3fg1 n ARG 641 N 0.00 2.88 -0.89 0.11 1.74 -1.26 -4.70 116.66 114.54 3fg1 n ARG 641 Ca 0.00 -2.08 0.00 0.00 -0.77 0.00 0.00 57.85 55.00 3fg1 n ARG 641 Cb 0.55 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 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 0.55 3.36 -0.13 0.00 -1.26 -5.06 105.19 103.14 3fg1 n GLY 642 Ca 0.12 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.13 1.35 0.91 1.61 1.02 -1.26 -5.16 119.74 118.08 3fg1 s LYS 643 Ca 0.00 -1.39 -0.12 0.00 0.02 0.00 0.00 55.97 54.48 3fg1 s LYS 643 Cb 0.00 -1.60 0.20 0.00 -0.52 0.00 0.00 37.83 35.92 3fg1 s LYS 643 CO 0.00 0.35 1.25 0.27 -0.92 0.00 0.00 175.35 176.29 3fg1 n ASN 644 N 0.52 0.48 0.17 2.83 2.04 -1.26 -4.79 115.26 115.24 3fg1 n ASN 644 Ca -0.15 -1.68 -0.14 0.00 -0.44 0.00 0.00 54.58 52.17 3fg1 n ASN 644 Cb 0.55 -0.92 -0.07 0.00 -2.53 0.00 0.00 39.78 36.82 3fg1 n ASN 644 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 3fg1 h LEU 645 N 0.00 -0.79 -1.40 -4.53 5.85 -1.94 0.27 115.31 112.76 3fg1 h LEU 645 Ca -0.41 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.51 3fg1 h LEU 645 Cb 1.21 0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.46 3fg1 h LEU 645 CO 0.32 -0.41 0.52 0.44 -0.34 0.00 0.00 178.44 178.97 3fg1 h ASP 646 N -0.59 0.58 0.28 1.25 5.19 -1.98 0.16 116.42 121.32 3fg1 h ASP 646 Ca -0.00 0.02 -0.19 0.00 -0.62 0.00 0.00 57.03 56.24 3fg1 h ASP 646 Cb 0.56 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.97 3fg1 h ASP 646 CO -0.09 0.32 -0.78 -0.33 -3.12 0.00 0.00 179.24 175.25 3fg1 h GLU 647 N 0.63 0.40 -0.43 3.56 5.08 -1.77 -2.44 114.58 119.61 3fg1 h GLU 647 Ca 0.38 -0.35 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 3fg1 h GLU 647 Cb 0.60 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3fg1 h GLU 647 CO -0.15 1.00 -0.30 0.93 -1.00 0.00 0.00 179.01 179.49 3fg1 h GLU 648 N 0.26 0.97 -0.27 2.33 4.39 0.11 -0.09 114.58 122.28 3fg1 h GLU 648 Ca -0.04 -0.46 0.06 0.00 0.34 0.00 0.00 59.36 59.26 3fg1 h GLU 648 Cb 1.37 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.95 3fg1 h GLU 648 CO 0.13 1.13 -0.13 0.82 -1.16 0.00 0.00 179.01 179.80 3fg1 h ILE 649 N 0.81 0.58 -0.57 3.13 2.04 -0.76 -1.66 117.51 121.09 3fg1 h ILE 649 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 3fg1 h ILE 649 Cb 0.89 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3fg1 h ILE 649 CO 0.08 0.00 0.30 0.11 0.00 0.00 0.00 178.15 178.64 3fg1 h LYS 650 N -0.10 0.79 0.00 2.37 6.56 -1.30 -2.42 116.57 122.48 3fg1 h LYS 650 Ca 0.14 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 3fg1 h LYS 650 Cb 0.31 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 3fg1 h LYS 650 CO -0.33 0.59 0.00 -0.25 -2.06 0.00 0.00 179.45 177.40 3fg1 n ASP 651 N -4.38 0.00 -1.58 0.86 9.92 -0.06 -4.91 116.55 116.39 3fg1 n ASP 651 Ca 0.05 0.06 -0.11 0.00 -0.53 0.00 0.00 54.79 54.26 3fg1 n ASP 651 Cb 0.11 -0.32 0.02 0.00 -0.64 0.00 0.00 41.12 40.29 3fg1 n ASP 651 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fg1 n GLY 652 N 0.55 0.08 0.70 0.44 0.00 -0.69 -4.92 105.19 101.36 3fg1 n GLY 652 Ca 0.09 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.87 0.39 -4.76 1.61 8.25 -0.83 -4.70 115.22 111.31 3fg1 n HIS 653 Ca -0.06 -0.35 -0.33 0.00 -0.26 0.00 0.00 57.72 56.72 3fg1 n HIS 653 Cb 0.56 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.03 3.12 0.08 1.59 -1.09 -1.25 -1.04 121.20 121.58 3fg1 s ILE 654 Ca 0.24 -0.64 0.04 0.00 -2.23 0.00 0.00 60.65 58.06 3fg1 s ILE 654 Cb 0.14 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 38.68 3fg1 s ILE 654 CO 0.18 0.53 -0.11 -0.31 -1.23 0.00 0.00 174.94 174.00 3fg1 s TYR 655 N 0.24 1.05 0.03 3.97 1.51 -0.23 -0.78 117.35 123.14 3fg1 s TYR 655 Ca -0.08 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.46 3fg1 s TYR 655 Cb -0.15 -0.59 -0.02 0.00 -0.11 0.00 0.00 41.96 41.09 3fg1 s TYR 655 CO 0.05 0.01 -0.06 -1.50 -1.11 0.00 0.00 175.55 172.94 3fg1 s ILE 656 N -1.71 0.38 -0.01 2.71 2.07 0.98 0.03 121.20 125.65 3fg1 s ILE 656 Ca -0.01 -0.91 0.07 0.00 -1.41 0.00 0.00 60.65 58.39 3fg1 s ILE 656 Cb -0.08 -0.46 -0.02 0.00 0.13 0.00 0.00 42.46 42.03 3fg1 s ILE 656 CO 0.01 -0.36 -0.22 0.68 -1.91 0.00 0.00 174.94 173.14 3fg1 s VAL 657 N -1.24 2.42 -0.15 4.00 -7.23 -0.59 -0.31 120.40 117.30 3fg1 s VAL 657 Ca -0.10 -1.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.97 3fg1 s VAL 657 Cb -0.09 -1.91 0.05 0.00 0.56 0.00 0.00 36.38 34.99 3fg1 s VAL 657 CO -0.00 0.52 0.04 -0.62 -0.31 0.00 0.00 175.10 174.73 3fg1 s ASP 658 N -0.84 2.33 -0.40 4.85 -1.08 -1.26 -1.81 116.67 118.46 3fg1 s ASP 658 Ca 0.11 -0.53 0.03 0.00 -0.52 0.00 0.00 52.55 51.64 3fg1 s ASP 658 Cb -0.10 -0.44 0.53 0.00 -1.46 0.00 0.00 42.92 41.45 3fg1 s ASP 658 CO 0.01 -0.29 1.80 0.49 0.52 0.00 0.00 175.17 177.70 3fg1 n PHE 659 N 5.15 2.57 -0.31 -5.34 3.01 -0.19 -4.66 117.46 117.68 3fg1 n PHE 659 Ca -0.08 -1.75 0.21 0.00 1.01 0.00 0.00 57.45 56.84 3fg1 n PHE 659 Cb 0.48 -0.89 0.49 0.00 -0.01 0.00 0.00 39.48 39.56 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 0.95 0.42 -0.39 -1.08 3.64 -1.79 -0.95 116.57 117.38 3fg1 h LYS 660 Ca 0.53 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.99 3fg1 h LYS 660 Cb 2.34 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 34.05 3fg1 h LYS 660 CO 0.97 0.28 0.41 -0.24 -2.27 0.00 0.00 179.45 178.60 3fg1 h VAL 661 N 0.44 0.41 0.00 2.00 3.04 -1.96 -0.22 116.25 119.96 3fg1 h VAL 661 Ca 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.26 3fg1 h VAL 661 Cb 1.38 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 3fg1 h VAL 661 CO -0.28 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.46 3fg1 n LEU 662 N -3.77 0.73 -4.67 3.16 4.77 -0.36 -4.81 117.00 112.05 3fg1 n LEU 662 Ca 0.07 0.64 -0.46 0.00 -0.03 0.00 0.00 56.01 56.23 3fg1 n LEU 662 Cb 0.58 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3fg1 n LEU 662 CO 0.28 -0.45 1.10 0.52 -1.33 0.00 0.00 177.39 177.51 3fg1 n VAL 663 N -2.26 0.45 -0.02 4.08 0.31 -0.10 -1.11 118.33 119.67 3fg1 n VAL 663 Ca 0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3fg1 n VAL 663 Cb 0.29 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 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 2.80 0.99 3.71 2.92 0.00 0.23 -5.00 105.19 110.84 3fg1 n GLY 664 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3fg1 n GLY 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg1 n ALA 665 N -1.30 2.33 -2.65 4.61 0.00 -0.27 -4.36 120.51 118.86 3fg1 n ALA 665 Ca 0.00 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.47 3fg1 n ALA 665 Cb 0.00 -2.45 -0.11 0.00 0.00 0.00 0.00 19.45 16.89 3fg1 n ALA 665 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3fg1 s LYS 666 N 0.55 3.93 0.39 0.00 2.20 -1.26 -1.55 119.74 124.00 3fg1 s LYS 666 Ca 0.72 -0.33 0.07 0.00 -0.36 0.00 0.00 55.97 56.08 3fg1 s LYS 666 Cb -0.55 -3.60 -0.00 0.00 -1.51 0.00 0.00 37.83 32.17 3fg1 s LYS 666 CO 0.39 -0.15 0.50 -1.54 -0.36 0.00 0.00 175.35 174.19 3fg1 s SER 667 N 1.65 5.67 0.28 1.43 1.04 -0.36 -3.71 113.70 119.69 3fg1 s SER 667 Ca 0.07 -0.39 -0.30 0.00 0.48 0.00 0.00 55.95 55.81 3fg1 s SER 667 Cb -0.16 -0.85 -0.12 0.00 0.10 0.00 0.00 66.02 65.00 3fg1 s SER 667 CO 0.09 -0.62 1.62 0.00 0.98 0.00 0.00 173.24 175.32 3fg1 n TYR 668 N -1.72 2.86 -0.41 5.02 9.36 -0.01 -1.83 117.16 130.42 3fg1 n TYR 668 Ca 0.04 0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.48 3fg1 n TYR 668 Cb 0.59 -2.61 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 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 2.43 0.71 0.00 2.98 0.00 -1.26 -0.76 105.19 109.29 3fg1 n GLY 669 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.02 2.20 3.64 -0.02 0.00 -0.76 -4.92 105.19 103.32 3fg1 n GLY 670 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.46 1.75 -4.64 1.61 -0.02 -1.25 -4.76 135.00 127.24 3fg1 n PRO 671 Ca 0.00 0.63 -0.33 0.00 -2.02 0.00 0.00 63.50 61.78 3fg1 n PRO 671 Cb 0.00 -2.35 -0.13 0.00 -0.02 0.00 0.00 33.50 30.99 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 0.97 3.37 -0.07 -1.45 1.01 -1.26 -1.22 120.40 121.75 3fg1 s VAL 672 Ca 0.82 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 3fg1 s VAL 672 Cb -0.79 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3fg1 s VAL 672 CO 0.43 0.52 0.73 -0.22 0.00 0.00 0.00 175.10 176.56 3fg1 s LEU 673 N 0.31 4.30 0.36 3.92 2.96 -0.59 -4.84 118.68 125.10 3fg1 s LEU 673 Ca -0.08 1.21 0.08 0.00 -0.22 0.00 0.00 54.13 55.12 3fg1 s LEU 673 Cb -0.15 -3.13 -0.03 0.00 0.50 0.00 0.00 46.19 43.38 3fg1 s LEU 673 CO 0.05 -0.16 0.31 -1.83 -1.32 0.00 0.00 176.35 173.40 3fg1 s GLU 674 N 0.99 2.64 0.61 1.98 -1.05 -0.21 0.78 118.70 124.43 3fg1 s GLU 674 Ca 0.39 -1.39 0.33 0.00 -0.15 0.00 0.00 54.97 54.14 3fg1 s GLU 674 Cb -0.18 -2.43 1.91 0.00 -0.44 0.00 0.00 34.13 33.00 3fg1 s GLU 674 CO 0.18 -0.01 2.23 0.38 0.95 0.00 0.00 175.26 179.00 3fg1 h ASP 675 N 1.19 0.00 0.91 0.83 2.03 -1.97 -1.42 116.42 117.99 3fg1 h ASP 675 Ca -0.43 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.75 3fg1 h ASP 675 Cb 1.26 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.74 3fg1 h ASP 675 CO 0.58 0.00 -1.16 0.16 -1.03 0.00 0.00 179.24 177.79 3fg1 h ILE 676 N 0.00 0.39 0.00 4.15 3.07 -1.95 0.24 117.51 123.41 3fg1 h ILE 676 Ca 0.02 -1.73 0.00 0.00 1.55 0.00 0.00 64.86 64.70 3fg1 h ILE 676 Cb 0.14 1.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 3fg1 h ILE 676 CO -0.00 0.22 0.00 0.61 -1.05 0.00 0.00 178.15 177.93 3fg1 n GLY 677 N 1.31 0.36 0.00 0.16 0.00 -0.53 -4.87 105.19 101.62 3fg1 n GLY 677 Ca -0.05 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3fg1 n GLY 677 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fg1 n TYR 678 N 0.00 0.00 -0.96 1.61 4.02 -1.26 -1.04 117.16 119.53 3fg1 n TYR 678 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3fg1 n TYR 678 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3fg1 n TYR 678 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fg1 n ALA 689 N -3.00 -1.48 -2.69 -0.72 0.00 -1.26 -5.04 120.51 106.33 3fg1 n ALA 689 Ca 0.00 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 3fg1 n ALA 689 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 3fg1 n ALA 689 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fg1 s ASP 690 N -4.04 6.26 -0.14 0.00 3.68 -1.26 -4.97 116.67 116.21 3fg1 s ASP 690 Ca 0.00 -0.94 -0.00 0.00 2.13 0.00 0.00 52.55 53.74 3fg1 s ASP 690 Cb 0.00 -2.50 0.03 0.00 -1.45 0.00 0.00 42.92 39.00 3fg1 s ASP 690 CO 0.00 -1.59 -0.09 -0.63 0.13 0.00 0.00 175.17 173.00 3fg1 s ILE 691 N 4.79 1.20 0.21 4.11 1.01 -1.26 -4.00 121.20 127.26 3fg1 s ILE 691 Ca 0.32 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.58 3fg1 s ILE 691 Cb -0.09 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 3fg1 s ILE 691 CO 0.07 0.32 -0.09 -0.13 0.00 0.00 0.00 174.94 175.11 3fg1 s ARG 692 N 1.62 2.06 0.05 2.79 0.52 0.06 -4.55 118.95 121.50 3fg1 s ARG 692 Ca 0.04 -1.37 0.02 0.00 -0.52 0.00 0.00 55.73 53.90 3fg1 s ARG 692 Cb -0.13 -2.11 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 3fg1 s ARG 692 CO -0.09 0.41 -0.08 0.71 0.02 0.00 0.00 175.30 176.27 3fg1 s TYR 693 N -1.94 0.76 0.14 -0.53 1.51 0.48 -4.44 117.35 113.33 3fg1 s TYR 693 Ca 0.27 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 3fg1 s TYR 693 Cb -0.08 -0.45 -0.01 0.00 -0.11 0.00 0.00 41.96 41.32 3fg1 s TYR 693 CO 0.16 -0.08 0.07 0.00 -1.11 0.00 0.00 175.55 174.59 3fg1 s ALA 695 N -2.43 -0.11 -0.59 0.00 0.00 -1.26 -4.94 121.76 112.41 3fg1 s ALA 695 Ca 0.10 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.21 3fg1 s ALA 695 Cb 0.00 1.05 0.24 0.00 0.00 0.00 0.00 23.12 24.42 3fg1 s ALA 695 CO 0.07 -0.79 0.68 0.00 0.00 0.00 0.00 175.76 175.72 3fg1 n ALA 696 N -0.34 3.71 -1.70 0.00 0.00 -1.19 -4.61 120.51 116.38 3fg1 n ALA 696 Ca -0.03 -4.48 -0.31 0.00 0.00 0.00 0.00 53.44 48.62 3fg1 n ALA 696 Cb 0.62 -0.89 0.04 0.00 0.00 0.00 0.00 19.45 19.23 3fg1 n ALA 696 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3fg1 s PRO 697 N -2.14 3.07 0.10 0.00 0.02 -0.94 -3.53 135.00 131.58 3fg1 s PRO 697 Ca 0.38 0.81 0.08 0.00 0.02 0.00 0.00 61.00 62.28 3fg1 s PRO 697 Cb 0.14 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 3fg1 s PRO 697 CO -0.04 -0.97 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.00 3fg1 s LEU 698 N -5.43 2.82 -0.08 -5.54 1.02 0.01 -1.02 118.68 110.46 3fg1 s LEU 698 Ca 0.57 -0.47 -0.06 0.00 0.02 0.00 0.00 54.13 54.19 3fg1 s LEU 698 Cb -0.13 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.46 3fg1 s LEU 698 CO 0.54 0.19 0.20 0.00 0.02 0.00 0.00 176.35 177.30 3fg1 s ALA 699 N -1.13 -0.48 -0.07 4.21 0.00 -0.75 -0.91 121.76 122.64 3fg1 s ALA 699 Ca 0.19 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3fg1 s ALA 699 Cb -0.11 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3fg1 s ALA 699 CO 0.10 -0.11 -0.04 -1.17 0.00 0.00 0.00 175.76 174.54 3fg1 s LEU 700 N 0.36 3.32 0.11 0.00 2.96 0.95 -1.55 118.68 124.83 3fg1 s LEU 700 Ca -0.02 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 3fg1 s LEU 700 Cb -0.04 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3fg1 s LEU 700 CO -0.02 0.36 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.88 3fg1 s PHE 701 N -0.86 1.29 -0.04 5.38 0.40 0.10 -1.12 117.98 123.13 3fg1 s PHE 701 Ca 0.13 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 3fg1 s PHE 701 Cb -0.11 -0.69 0.02 0.00 0.51 0.00 0.00 43.02 42.74 3fg1 s PHE 701 CO 0.03 0.10 -0.07 -0.47 0.70 0.00 0.00 175.22 175.51 3fg1 s TYR 702 N -1.99 0.90 -0.60 0.36 5.04 0.13 -1.07 117.35 120.11 3fg1 s TYR 702 Ca 0.06 -0.27 -0.26 0.00 -2.44 0.00 0.00 57.07 54.16 3fg1 s TYR 702 Cb -0.06 -0.73 0.04 0.00 0.35 0.00 0.00 41.96 41.56 3fg1 s TYR 702 CO 0.02 -0.18 1.10 0.08 -1.34 0.00 0.00 175.55 175.23 3fg1 s VAL 703 N 0.71 4.12 0.89 3.14 1.01 -0.20 0.17 120.40 130.24 3fg1 s VAL 703 Ca -0.11 0.52 -0.15 0.00 0.00 0.00 0.00 61.98 62.24 3fg1 s VAL 703 Cb -0.14 -4.69 0.21 0.00 0.00 0.00 0.00 36.38 31.76 3fg1 s VAL 703 CO 0.01 -1.35 1.10 -0.46 0.00 0.00 0.00 175.10 174.40 3fg1 n ASN 704 N 8.19 -0.35 0.03 3.32 0.23 -0.38 -4.84 115.26 121.48 3fg1 n ASN 704 Ca 0.04 -1.34 0.03 0.00 -0.53 0.00 0.00 54.58 52.78 3fg1 n ASN 704 Cb 0.48 -0.87 0.41 0.00 -2.08 0.00 0.00 39.78 37.72 3fg1 n ASN 704 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3fg1 h LYS 705 N 0.00 0.47 0.00 -3.83 5.09 -1.90 -0.23 116.57 116.17 3fg1 h LYS 705 Ca -0.37 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.32 3fg1 h LYS 705 Cb 1.03 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.27 3fg1 h LYS 705 CO 0.25 0.38 0.00 1.28 -2.09 0.00 0.00 179.45 179.27 3fg1 n LEU 706 N -4.41 0.00 0.00 7.07 4.32 -1.26 -4.89 117.00 117.82 3fg1 n LEU 706 Ca 0.02 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 3fg1 n LEU 706 Cb 0.12 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 3fg1 n LEU 706 CO 0.36 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 3fg1 n GLY 707 N 1.12 0.71 3.75 -0.72 0.00 -0.10 -5.06 105.19 104.89 3fg1 n GLY 707 Ca 0.13 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 3.60 -0.53 1.61 3.76 -1.26 -4.65 115.29 115.83 3fg1 s HIS 708 Ca 0.00 1.04 -0.27 0.00 -0.15 0.00 0.00 55.06 55.69 3fg1 s HIS 708 Cb 0.00 -2.56 0.03 0.00 1.11 0.00 0.00 32.58 31.16 3fg1 s HIS 708 CO 0.00 0.28 1.05 -1.17 -0.85 0.00 0.00 174.74 174.05 3fg1 s LEU 709 N 0.15 3.79 -0.12 0.89 2.96 -1.26 -1.24 118.68 123.85 3fg1 s LEU 709 Ca 0.28 0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 3fg1 s LEU 709 Cb -0.17 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.35 3fg1 s LEU 709 CO 0.14 -1.27 0.00 -0.04 -1.32 0.00 0.00 176.35 173.86 3fg1 s MET 710 N 4.31 3.33 -0.16 1.98 -1.94 0.13 -3.95 119.30 122.99 3fg1 s MET 710 Ca 0.39 -0.42 -0.29 0.00 -1.71 0.00 0.00 55.69 53.66 3fg1 s MET 710 Cb -0.09 -2.90 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 3fg1 s MET 710 CO 0.25 0.52 1.49 -1.25 -0.01 0.00 0.00 175.02 176.02 3fg1 s PRO 711 N -0.36 4.05 -0.04 2.03 0.04 -1.26 0.17 135.00 139.63 3fg1 s PRO 711 Ca 0.07 1.78 0.09 0.00 0.04 0.00 0.00 61.00 62.98 3fg1 s PRO 711 Cb -0.12 -3.93 -0.13 0.00 0.04 0.00 0.00 34.50 30.36 3fg1 s PRO 711 CO 0.02 -0.97 0.15 0.44 0.04 0.00 0.00 177.00 176.68 3fg1 n ILE 712 N 5.81 0.19 -3.67 0.56 -5.35 -0.27 -4.62 119.36 112.00 3fg1 n ILE 712 Ca 0.16 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.26 3fg1 n ILE 712 Cb 0.44 -0.05 -0.08 0.00 -1.74 0.00 0.00 39.64 38.21 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 -2.51 -1.45 -0.06 -1.28 0.00 -1.14 -4.27 121.76 111.06 3fg1 s ALA 713 Ca -0.04 1.73 0.02 0.00 0.00 0.00 0.00 51.96 53.66 3fg1 s ALA 713 Cb 0.05 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.18 3fg1 s ALA 713 CO 0.38 -0.29 -0.08 0.42 0.00 0.00 0.00 175.76 176.19 3fg1 s ILE 714 N 0.60 0.85 -0.22 0.00 1.01 0.46 -0.04 121.20 123.86 3fg1 s ILE 714 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 3fg1 s ILE 714 Cb -0.05 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.62 3fg1 s ILE 714 CO -0.03 0.29 -0.07 -1.58 0.00 0.00 0.00 174.94 173.55 3fg1 s GLN 715 N 0.83 3.13 0.35 2.79 0.74 -0.09 -0.39 119.66 127.01 3fg1 s GLN 715 Ca -0.12 -0.78 0.05 0.00 0.05 0.00 0.00 55.36 54.56 3fg1 s GLN 715 Cb -0.15 -2.93 0.64 0.00 1.10 0.00 0.00 33.01 31.66 3fg1 s GLN 715 CO 0.02 -0.27 1.89 0.82 -0.55 0.00 0.00 175.29 177.19 3fg1 h ILE 716 N 5.89 1.19 -4.58 -2.34 2.04 -1.82 0.07 117.51 117.96 3fg1 h ILE 716 Ca -0.39 -0.76 -0.46 0.00 1.00 0.00 0.00 64.86 64.25 3fg1 h ILE 716 Cb 1.14 0.97 -0.11 0.00 -0.74 0.00 0.00 36.82 38.08 3fg1 h ILE 716 CO 0.60 0.26 -0.40 0.59 0.00 0.00 0.00 178.15 179.20 3fg1 n ASN 717 N -4.29 0.66 0.12 1.72 3.02 -1.26 -2.22 115.26 113.02 3fg1 n ASN 717 Ca 0.01 -2.87 -0.20 0.00 -0.03 0.00 0.00 54.58 51.49 3fg1 n ASN 717 Cb 0.24 1.05 -0.15 0.00 -0.61 0.00 0.00 39.78 40.31 3fg1 n ASN 717 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3fg1 h GLN 718 N 0.00 0.40 -4.88 3.52 1.08 -1.30 -3.42 115.11 110.52 3fg1 h GLN 718 Ca -0.25 -0.68 -0.69 0.00 -1.45 0.00 0.00 58.65 55.58 3fg1 h GLN 718 Cb 1.04 0.25 -0.18 0.00 -0.05 0.00 0.00 27.48 28.54 3fg1 h GLN 718 CO 0.39 1.32 -0.23 -2.00 -0.95 0.00 0.00 178.83 177.37 3fg1 s GLU 719 N -2.65 3.21 0.79 1.46 2.56 0.73 -4.77 118.70 120.04 3fg1 s GLU 719 Ca -0.06 -0.68 -0.11 0.00 0.00 0.00 0.00 54.97 54.12 3fg1 s GLU 719 Cb 0.06 -3.93 0.07 0.00 2.00 0.00 0.00 34.13 32.33 3fg1 s GLU 719 CO 0.91 -0.77 1.09 -1.25 -0.56 0.00 0.00 175.26 174.68 3fg1 s PRO 720 N 2.10 2.09 0.00 4.30 0.04 -1.25 -4.78 135.00 137.49 3fg1 s PRO 720 Ca 0.12 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3fg1 s PRO 720 Cb -0.17 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3fg1 s PRO 720 CO 0.13 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.83 3fg1 n GLY 721 N -1.16 0.01 0.23 0.56 0.00 -1.18 -4.91 105.19 98.74 3fg1 n GLY 721 Ca 0.09 -1.17 0.11 0.00 0.00 0.00 0.00 46.02 45.04 3fg1 n GLY 721 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fg1 h PRO 722 N 0.00 0.00 -0.20 1.61 0.13 -1.95 -2.29 132.00 129.30 3fg1 h PRO 722 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3fg1 h PRO 722 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3fg1 h PRO 722 CO 0.00 0.20 0.00 0.39 -0.23 0.00 0.00 178.00 178.36 3fg1 n GLU 723 N -3.44 1.82 -3.02 0.86 1.02 -1.26 -4.24 120.64 112.39 3fg1 n GLU 723 Ca -0.00 -1.24 -0.17 0.00 -0.02 0.00 0.00 57.16 55.73 3fg1 n GLU 723 Cb 0.39 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.40 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 0.46 -0.76 -3.78 1.62 5.15 -0.89 -4.49 115.26 112.58 3fg1 n ASN 724 Ca 0.16 -3.06 -0.29 0.00 -0.60 0.00 0.00 54.58 50.80 3fg1 n ASN 724 Cb 0.36 0.31 0.21 0.00 -0.53 0.00 0.00 39.78 40.13 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 1.05 -1.73 -3.34 1.20 -0.04 -1.03 -3.13 135.00 127.97 3fg1 n PRO 725 Ca 0.17 -1.94 -0.38 0.00 -0.04 0.00 0.00 63.50 61.31 3fg1 n PRO 725 Cb 0.61 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 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 -3.62 5.18 -0.03 0.52 1.01 -1.26 -4.41 121.20 118.59 3fg1 s ILE 726 Ca 0.73 0.82 0.01 0.00 0.00 0.00 0.00 60.65 62.21 3fg1 s ILE 726 Cb -0.03 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3fg1 s ILE 726 CO 0.52 0.26 -0.00 0.26 0.00 0.00 0.00 174.94 175.98 3fg1 s TRP 727 N 1.15 3.09 0.23 3.97 0.52 0.48 -4.94 118.94 123.44 3fg1 s TRP 727 Ca 0.22 0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.45 3fg1 s TRP 727 Cb -0.15 -1.70 -0.05 0.00 -1.15 0.00 0.00 33.47 30.42 3fg1 s TRP 727 CO 0.09 0.46 0.11 0.95 0.02 0.00 0.00 176.95 178.58 3fg1 s THR 728 N -1.02 0.30 -1.04 2.01 -4.23 -1.26 -0.40 115.64 110.00 3fg1 s THR 728 Ca 0.18 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.76 3fg1 s THR 728 Cb -0.11 -2.57 0.07 0.00 1.34 0.00 0.00 72.50 71.22 3fg1 s THR 728 CO 0.08 -0.00 1.22 -0.81 -0.54 0.00 0.00 174.62 174.56 3fg1 n PRO 729 N -0.37 0.01 -1.05 3.99 -0.04 -1.26 -2.50 135.00 133.77 3fg1 n PRO 729 Ca 0.01 0.36 -0.12 0.00 -0.04 0.00 0.00 63.50 63.72 3fg1 n PRO 729 Cb 0.66 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.87 3fg1 n PRO 729 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3fg1 n HIS 730 N -1.48 2.45 -1.66 0.54 8.25 -1.26 -4.98 115.22 117.08 3fg1 n HIS 730 Ca 0.02 -1.47 -0.40 0.00 -0.26 0.00 0.00 57.72 55.61 3fg1 n HIS 730 Cb 0.08 -0.74 0.03 0.00 1.12 0.00 0.00 29.99 30.48 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 -0.65 1.44 0.02 -0.41 -0.58 -1.04 -4.90 120.64 114.52 3fg1 n GLU 731 Ca 0.46 0.53 -0.12 0.00 -0.42 0.00 0.00 57.16 57.61 3fg1 n GLU 731 Cb 1.43 -2.25 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 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 1.40 0.55 -4.96 3.49 4.11 -1.93 -3.37 114.58 113.86 3fg1 h GLU 732 Ca -0.47 -0.43 -0.68 0.00 0.07 0.00 0.00 59.36 57.85 3fg1 h GLU 732 Cb 1.33 0.08 -0.18 0.00 0.50 0.00 0.00 28.75 30.48 3fg1 h GLU 732 CO 0.56 1.05 0.07 1.21 0.07 0.00 0.00 179.01 181.97 3fg1 s ASN 733 N -7.00 6.22 0.27 3.06 2.47 -1.26 -4.96 114.94 113.74 3fg1 s ASN 733 Ca -0.07 -0.95 -0.00 0.00 0.42 0.00 0.00 52.86 52.25 3fg1 s ASN 733 Cb 0.10 -2.30 0.49 0.00 -1.45 0.00 0.00 41.25 38.10 3fg1 s ASN 733 CO 0.86 -0.93 1.85 1.05 -3.72 0.00 0.00 177.10 176.21 3fg1 h GLU 734 N 9.03 1.02 -0.06 0.43 4.11 -1.95 -1.34 114.58 125.83 3fg1 h GLU 734 Ca -0.28 -0.06 0.02 0.00 0.07 0.00 0.00 59.36 59.11 3fg1 h GLU 734 Cb 1.09 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 3fg1 h GLU 734 CO 0.98 0.68 0.05 0.45 0.07 0.00 0.00 179.01 181.25 3fg1 h HIS 735 N 1.05 0.00 -0.50 2.06 3.86 -1.93 -1.93 115.15 117.77 3fg1 h HIS 735 Ca 0.47 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.56 3fg1 h HIS 735 Cb 0.37 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 3fg1 h HIS 735 CO -0.01 0.00 -0.16 -0.44 0.86 0.00 0.00 177.93 178.18 3fg1 h ASP 736 N 0.00 0.98 -0.31 2.45 3.32 -1.51 -0.24 116.42 121.11 3fg1 h ASP 736 Ca 0.03 -0.34 -0.11 0.00 0.02 0.00 0.00 57.03 56.63 3fg1 h ASP 736 Cb 0.14 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3fg1 h ASP 736 CO -0.00 1.12 -0.22 -0.25 -1.72 0.00 0.00 179.24 178.17 3fg1 h TRP 737 N 0.85 0.81 -0.12 4.55 -0.00 -1.41 -1.86 115.95 118.78 3fg1 h TRP 737 Ca 0.12 -0.22 0.00 0.00 -0.00 0.00 0.00 58.89 58.79 3fg1 h TRP 737 Cb 0.72 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 29.70 3fg1 h TRP 737 CO 0.05 0.95 0.08 1.98 -0.00 0.00 0.00 178.44 181.49 3fg1 h MET 738 N 0.44 0.16 -0.87 2.65 4.05 -1.40 -1.72 114.93 118.23 3fg1 h MET 738 Ca 0.06 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.52 3fg1 h MET 738 Cb 0.77 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.48 3fg1 h MET 738 CO 0.06 0.11 0.55 1.98 0.23 0.00 0.00 176.91 179.84 3fg1 h MET 739 N 0.15 0.99 -0.53 0.39 1.85 -1.04 -1.36 114.93 115.38 3fg1 h MET 739 Ca 0.04 -0.06 0.03 0.00 -0.61 0.00 0.00 59.70 59.11 3fg1 h MET 739 Cb -0.01 -0.22 -0.04 0.00 0.43 0.00 0.00 31.60 31.76 3fg1 h MET 739 CO -0.01 0.65 0.30 0.00 -0.40 0.00 0.00 176.91 177.46 3fg1 h ALA 740 N 1.40 0.68 -0.81 0.39 0.00 -1.01 -1.09 119.26 118.83 3fg1 h ALA 740 Ca 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 3fg1 h ALA 740 Cb 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3fg1 h ALA 740 CO -0.16 -0.01 0.39 0.87 0.00 0.00 0.00 179.25 180.34 3fg1 h LYS 741 N 0.59 1.15 -0.61 0.00 1.57 -0.55 -1.67 116.57 117.05 3fg1 h LYS 741 Ca 0.22 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3fg1 h LYS 741 Cb 0.07 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3fg1 h LYS 741 CO -0.12 0.88 0.32 0.74 -0.57 0.00 0.00 179.45 180.70 3fg1 h PHE 742 N 1.15 0.85 -0.60 -1.35 0.05 -0.85 -0.19 116.94 115.99 3fg1 h PHE 742 Ca 0.28 -0.03 0.04 0.00 3.82 0.00 0.00 57.97 62.08 3fg1 h PHE 742 Cb 0.10 -0.27 -0.04 0.00 2.00 0.00 0.00 35.95 37.74 3fg1 h PHE 742 CO 0.01 0.63 0.35 -1.49 -0.18 0.00 0.00 178.31 177.63 3fg1 h TRP 743 N 0.83 0.65 -0.35 -0.55 4.06 -0.87 0.28 115.95 119.99 3fg1 h TRP 743 Ca 0.21 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.18 3fg1 h TRP 743 Cb 0.07 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.01 3fg1 h TRP 743 CO -0.01 0.35 0.21 1.25 -3.56 0.00 0.00 178.44 176.68 3fg1 h LEU 744 N 0.67 0.42 -0.47 -4.49 5.85 -1.20 -2.82 115.31 113.27 3fg1 h LEU 744 Ca 0.25 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.00 3fg1 h LEU 744 Cb 0.09 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3fg1 h LEU 744 CO -0.13 0.34 0.10 1.23 -0.34 0.00 0.00 178.44 179.64 3fg1 h GLY 745 N 0.46 0.58 1.55 3.75 0.00 -0.35 -0.05 103.07 109.01 3fg1 h GLY 745 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 3fg1 h GLY 745 CO -0.02 -0.05 0.04 -0.24 0.00 0.00 0.00 176.54 176.27 3fg1 h VAL 746 N 0.24 1.19 -0.04 4.60 3.04 -0.40 0.16 116.25 125.06 3fg1 h VAL 746 Ca 0.23 -0.74 -0.00 0.00 -1.01 0.00 0.00 66.70 65.18 3fg1 h VAL 746 Cb 0.29 0.87 -0.00 0.00 -2.01 0.00 0.00 31.29 30.44 3fg1 h VAL 746 CO -0.29 0.26 0.01 0.00 -1.01 0.00 0.00 177.57 176.53 3fg1 h ALA 747 N 1.50 0.05 -0.64 3.17 0.00 -1.22 -2.59 119.26 119.53 3fg1 h ALA 747 Ca 0.12 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fg1 h ALA 747 Cb 0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3fg1 h ALA 747 CO 0.00 -0.34 0.38 1.49 0.00 0.00 0.00 179.25 180.79 3fg1 h GLU 748 N -0.15 0.72 -0.24 0.00 4.81 -0.52 -1.16 114.58 118.05 3fg1 h GLU 748 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3fg1 h GLU 748 Cb 0.22 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3fg1 h GLU 748 CO -0.00 0.48 0.15 0.77 -0.73 0.00 0.00 179.01 179.68 3fg1 h SER 749 N 0.74 0.26 -0.31 1.04 0.02 -0.66 0.42 113.55 115.06 3fg1 h SER 749 Ca 0.27 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.07 3fg1 h SER 749 Cb 0.06 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3fg1 h SER 749 CO -0.12 0.19 -0.35 0.78 -1.14 0.00 0.00 176.83 176.18 3fg1 h ASN 750 N 0.31 0.85 -0.22 3.07 4.21 -1.30 -1.89 115.58 120.60 3fg1 h ASN 750 Ca 0.09 -0.48 0.02 0.00 1.21 0.00 0.00 56.30 57.13 3fg1 h ASN 750 Cb -0.03 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 36.91 3fg1 h ASN 750 CO -0.03 1.16 0.09 0.15 -1.29 0.00 0.00 177.43 177.51 3fg1 h PHE 751 N 0.55 0.16 0.12 1.19 3.57 -1.07 -2.51 116.94 118.95 3fg1 h PHE 751 Ca 0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3fg1 h PHE 751 Cb 0.94 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.64 3fg1 h PHE 751 CO 0.07 0.09 -0.06 1.25 -2.23 0.00 0.00 178.31 177.43 3fg1 h HIS 752 N 0.20 -0.14 -0.38 0.41 2.76 -0.08 0.11 115.15 118.03 3fg1 h HIS 752 Ca 0.09 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.18 3fg1 h HIS 752 Cb 0.04 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3fg1 h HIS 752 CO -0.11 0.02 -0.08 1.96 -1.30 0.00 0.00 177.93 178.42 3fg1 h GLN 753 N -0.28 0.72 0.12 5.26 4.20 -1.37 0.11 115.11 123.87 3fg1 h GLN 753 Ca -0.02 -0.27 -0.33 0.00 0.06 0.00 0.00 58.65 58.09 3fg1 h GLN 753 Cb 0.23 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3fg1 h GLN 753 CO 0.03 0.87 -1.73 -0.07 -0.67 0.00 0.00 178.83 177.25 3fg1 h LEU 754 N 0.53 0.39 0.00 1.46 3.38 -1.45 -0.53 115.31 119.09 3fg1 h LEU 754 Ca 0.10 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.19 3fg1 h LEU 754 Cb 0.59 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3fg1 h LEU 754 CO 0.04 1.75 -0.25 -3.20 0.09 0.00 0.00 178.44 176.86 3fg1 n ASN 755 N -3.72 0.85 -0.22 -0.43 5.15 0.34 -1.31 115.26 115.92 3fg1 n ASN 755 Ca -0.29 0.42 -0.06 0.00 -0.60 0.00 0.00 54.58 54.05 3fg1 n ASN 755 Cb 0.97 -0.67 0.05 0.00 -0.53 0.00 0.00 39.78 39.60 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 -0.47 1.15 0.00 -0.44 2.02 -1.29 0.00 112.91 113.88 3fg1 h THR 756 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3fg1 h THR 756 Cb 0.25 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3fg1 h THR 756 CO 0.00 0.15 0.00 1.57 0.37 0.00 0.00 175.52 177.61 3fg1 n HIS 757 N -4.66 0.00 0.24 3.16 -0.00 0.36 -3.93 115.22 110.40 3fg1 n HIS 757 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.61 3fg1 n HIS 757 Cb 0.03 -0.12 -0.08 0.00 -0.00 0.00 0.00 29.99 29.81 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 -0.50 0.29 0.27 5.85 -1.20 -1.72 115.31 118.30 3fg1 h LEU 758 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3fg1 h LEU 758 Cb 0.00 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3fg1 h LEU 758 CO 0.00 -0.35 -0.14 0.25 -0.34 0.00 0.00 178.44 177.86 3fg1 h LEU 759 N -0.57 -0.33 -0.57 2.25 5.85 -1.18 -0.02 115.31 120.74 3fg1 h LEU 759 Ca -0.05 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3fg1 h LEU 759 Cb 0.44 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3fg1 h LEU 759 CO 0.08 0.05 -0.03 0.54 -0.34 0.00 0.00 178.44 178.74 3fg1 n ARG 760 N -5.11 1.30 0.00 1.25 1.74 -0.02 -1.39 116.66 114.43 3fg1 n ARG 760 Ca -0.09 -0.57 0.00 0.00 -0.77 0.00 0.00 57.85 56.42 3fg1 n ARG 760 Cb 0.26 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 -0.35 0.00 -0.02 0.55 -2.24 -0.65 -4.75 114.28 106.82 3fg1 n THR 761 Ca 0.19 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.97 3fg1 n THR 761 Cb 0.28 -0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3fg1 n THR 761 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3fg1 h HIS 762 N 0.00 -0.09 -0.24 4.78 3.86 -1.57 -1.16 115.15 120.74 3fg1 h HIS 762 Ca 0.00 0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.04 3fg1 h HIS 762 Cb 0.00 0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 3fg1 h HIS 762 CO 0.00 -0.02 -0.56 -0.07 0.86 0.00 0.00 177.93 178.14 3fg1 h LEU 763 N -0.01 0.83 -0.09 2.43 3.38 -0.95 -1.04 115.31 119.87 3fg1 h LEU 763 Ca 0.01 -0.45 -0.24 0.00 0.09 0.00 0.00 57.88 57.29 3fg1 h LEU 763 Cb 0.02 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.55 3fg1 h LEU 763 CO -0.04 1.22 -0.87 0.71 0.09 0.00 0.00 178.44 179.54 3fg1 h THR 764 N 0.57 1.28 0.00 0.22 1.35 -1.24 -3.21 112.91 111.88 3fg1 h THR 764 Ca 0.01 -2.07 -0.00 0.00 -0.55 0.00 0.00 66.41 63.79 3fg1 h THR 764 Cb 1.14 2.16 -0.00 0.00 -1.73 0.00 0.00 68.15 69.72 3fg1 h THR 764 CO 0.12 0.65 -0.02 0.71 -0.25 0.00 0.00 175.52 176.72 3fg1 h THR 765 N 0.46 0.05 -0.66 6.82 1.35 -1.09 -2.57 112.91 117.27 3fg1 h THR 765 Ca -0.08 -0.72 0.11 0.00 -0.55 0.00 0.00 66.41 65.17 3fg1 h THR 765 Cb 1.51 1.69 -0.04 0.00 -1.73 0.00 0.00 68.15 69.58 3fg1 h THR 765 CO 0.18 0.02 0.44 -0.08 -0.25 0.00 0.00 175.52 175.83 3fg1 h GLU 766 N 0.00 0.42 -0.71 4.72 4.81 -1.19 -1.06 114.58 121.57 3fg1 h GLU 766 Ca -0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3fg1 h GLU 766 Cb 0.69 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 3fg1 h GLU 766 CO 0.00 0.28 0.29 0.77 -0.73 0.00 0.00 179.01 179.62 3fg1 h SER 767 N 0.43 0.98 -0.11 1.04 0.02 -1.52 -0.59 113.55 113.79 3fg1 h SER 767 Ca 0.31 -0.17 -0.17 0.00 -0.84 0.00 0.00 61.79 60.92 3fg1 h SER 767 Cb 0.63 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 3fg1 h SER 767 CO -0.09 0.88 -0.54 -0.26 -1.14 0.00 0.00 176.83 175.68 3fg1 h PHE 768 N 1.02 0.87 -0.28 3.45 -1.00 -1.38 -1.16 116.94 118.47 3fg1 h PHE 768 Ca 0.24 -0.31 0.03 0.00 2.81 0.00 0.00 57.97 60.74 3fg1 h PHE 768 Cb 0.20 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.57 3fg1 h PHE 768 CO 0.02 1.08 0.11 0.00 -1.61 0.00 0.00 178.31 177.91 3fg1 h ALA 769 N 0.86 0.32 -0.52 2.45 0.00 -0.87 -0.68 119.26 120.81 3fg1 h ALA 769 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3fg1 h ALA 769 Cb 1.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3fg1 h ALA 769 CO 0.11 -0.29 0.27 1.25 0.00 0.00 0.00 179.25 180.59 3fg1 h LEU 770 N 0.24 0.66 -1.56 0.00 5.85 -1.05 -2.52 115.31 116.93 3fg1 h LEU 770 Ca 0.12 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3fg1 h LEU 770 Cb 0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3fg1 h LEU 770 CO -0.11 0.58 0.24 -1.28 -0.34 0.00 0.00 178.44 177.53 3fg1 h SER 771 N 0.69 0.47 -0.02 1.25 0.87 -0.95 -0.04 113.55 115.83 3fg1 h SER 771 Ca 0.18 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3fg1 h SER 771 Cb 0.07 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3fg1 h SER 771 CO -0.03 0.36 -0.01 0.74 -0.53 0.00 0.00 176.83 177.37 3fg1 h THR 772 N 0.55 0.98 -0.41 2.23 2.02 -0.70 -0.09 112.91 117.49 3fg1 h THR 772 Ca 0.15 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 3fg1 h THR 772 Cb -0.03 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3fg1 h THR 772 CO -0.03 0.00 -0.08 -0.50 0.37 0.00 0.00 175.52 175.28 3fg1 h TRP 773 N -0.00 0.77 -0.20 3.16 4.06 -1.13 -2.08 115.95 120.53 3fg1 h TRP 773 Ca 0.01 -0.12 -0.12 0.00 2.06 0.00 0.00 58.89 60.72 3fg1 h TRP 773 Cb 0.02 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 27.96 3fg1 h TRP 773 CO -0.10 0.77 -0.39 0.00 -3.56 0.00 0.00 178.44 175.17 3fg1 h ARG 774 N 0.65 0.44 0.00 0.49 3.08 -0.76 -3.41 114.38 114.87 3fg1 h ARG 774 Ca 0.12 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3fg1 h ARG 774 Cb 0.53 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3fg1 h ARG 774 CO 0.03 0.76 -0.98 0.09 -1.07 0.00 0.00 179.97 178.80 3fg1 n ASN 775 N -4.04 4.88 -4.48 7.04 3.02 -0.07 -4.48 115.26 117.13 3fg1 n ASN 775 Ca -0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.18 3fg1 n ASN 775 Cb 0.49 0.89 -0.12 0.00 -0.61 0.00 0.00 39.78 40.42 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 -3.11 3.45 0.69 3.41 1.43 -0.79 -4.64 118.68 119.12 3fg1 s LEU 776 Ca 0.00 -0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 3fg1 s LEU 776 Cb 0.00 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.34 3fg1 s LEU 776 CO 0.00 0.03 1.14 0.00 0.23 0.00 0.00 176.35 177.75 3fg1 s ALA 777 N 1.20 2.32 0.48 4.21 0.00 -1.26 -4.80 121.76 123.92 3fg1 s ALA 777 Ca 0.04 0.64 0.23 0.00 0.00 0.00 0.00 51.96 52.87 3fg1 s ALA 777 Cb -0.14 -3.37 1.39 0.00 0.00 0.00 0.00 23.12 21.00 3fg1 s ALA 777 CO 0.03 -1.53 2.11 0.66 0.00 0.00 0.00 175.76 177.03 3fg1 h SER 778 N -0.17 0.00 0.68 0.00 4.64 -1.97 -0.41 113.55 116.32 3fg1 h SER 778 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3fg1 h SER 778 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3fg1 h SER 778 CO 0.52 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.58 3fg1 n ALA 779 N -2.39 1.89 -2.20 5.18 0.00 -1.26 -4.62 120.51 117.11 3fg1 n ALA 779 Ca -0.02 -0.06 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 3fg1 n ALA 779 Cb 0.18 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 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 -3.00 3.52 0.46 0.00 5.04 -0.16 -1.10 115.29 120.04 3fg1 s HIS 780 Ca 0.09 1.49 0.14 0.00 -1.54 0.00 0.00 55.06 55.24 3fg1 s HIS 780 Cb 0.13 -3.34 1.09 0.00 0.04 0.00 0.00 32.58 30.50 3fg1 s HIS 780 CO 0.36 -0.88 2.04 -1.00 -2.34 0.00 0.00 174.74 172.93 3fg1 h PRO 781 N 5.70 0.29 0.00 2.88 0.13 -1.89 -1.68 132.00 137.44 3fg1 h PRO 781 Ca -0.43 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.51 3fg1 h PRO 781 Cb 1.21 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3fg1 h PRO 781 CO 0.75 0.19 -0.82 0.82 -0.23 0.00 0.00 178.00 178.71 3fg1 h ILE 782 N 0.29 1.45 -0.23 -3.56 1.08 -1.93 -0.06 117.51 114.56 3fg1 h ILE 782 Ca 0.17 -2.96 0.01 0.00 -0.39 0.00 0.00 64.86 61.70 3fg1 h ILE 782 Cb 0.32 2.66 -0.02 0.00 -3.07 0.00 0.00 36.82 36.70 3fg1 h ILE 782 CO -0.04 0.81 0.12 0.15 -0.69 0.00 0.00 178.15 178.50 3fg1 h PHE 783 N 0.00 0.23 -0.81 1.37 3.57 -1.60 -1.17 116.94 118.54 3fg1 h PHE 783 Ca -0.01 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3fg1 h PHE 783 Cb 1.59 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 40.22 3fg1 h PHE 783 CO 0.00 0.14 0.34 0.87 -2.23 0.00 0.00 178.31 177.42 3fg1 h LYS 784 N 0.26 1.20 -0.31 1.11 1.57 -1.04 -0.59 116.57 118.77 3fg1 h LYS 784 Ca 0.09 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3fg1 h LYS 784 Cb 0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3fg1 h LYS 784 CO -0.05 0.96 0.18 1.25 -0.57 0.00 0.00 179.45 181.22 3fg1 h LEU 785 N 1.17 0.29 0.00 2.94 5.85 -0.95 -3.28 115.31 121.34 3fg1 h LEU 785 Ca 0.27 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.87 3fg1 h LEU 785 Cb 0.20 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3fg1 h LEU 785 CO -0.02 0.21 -0.70 -0.07 -0.34 0.00 0.00 178.44 177.52 3fg1 h LEU 786 N 0.37 0.00 -0.58 2.25 3.38 -0.86 -3.38 115.31 116.49 3fg1 h LEU 786 Ca 0.12 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.21 3fg1 h LEU 786 Cb 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 3fg1 h LEU 786 CO -0.06 0.57 -0.17 -0.61 0.09 0.00 0.00 178.44 178.26 3fg1 h GLN 787 N 0.00 -0.03 0.00 1.13 4.15 -1.17 0.84 115.11 120.03 3fg1 h GLN 787 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 3fg1 h GLN 787 Cb 1.46 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.15 3fg1 h GLN 787 CO 0.07 -0.02 -0.07 -1.00 -1.93 0.00 0.00 178.83 175.88 3fg1 h PRO 788 N -0.03 0.00 0.00 -2.39 0.13 -1.78 -2.99 132.00 124.94 3fg1 h PRO 788 Ca 0.28 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.20 3fg1 h PRO 788 Cb 0.45 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.55 3fg1 h PRO 788 CO -0.62 0.07 -1.51 0.72 -0.23 0.00 0.00 178.00 176.44 3fg1 n HIS 789 N -3.26 0.98 0.71 1.56 8.25 0.13 -4.06 115.22 119.54 3fg1 n HIS 789 Ca -0.01 0.34 0.12 0.00 -0.26 0.00 0.00 57.72 57.91 3fg1 n HIS 789 Cb 0.28 -1.12 0.28 0.00 1.12 0.00 0.00 29.99 30.55 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 -2.93 0.29 -1.67 1.59 -5.35 -0.29 -4.25 119.36 106.76 3fg1 n ILE 790 Ca -0.12 -0.20 -0.44 0.00 -0.27 0.00 0.00 62.75 61.72 3fg1 n ILE 790 Cb 0.90 -0.18 -0.02 0.00 -1.74 0.00 0.00 39.64 38.60 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 -1.96 2.10 0.00 4.28 4.19 -1.13 -3.21 117.16 121.42 3fg1 n TYR 791 Ca 0.04 0.50 0.00 0.00 3.31 0.00 0.00 57.90 61.75 3fg1 n TYR 791 Cb 0.41 -2.42 0.00 0.00 0.49 0.00 0.00 39.34 37.81 3fg1 n TYR 791 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3fg1 n GLY 792 N 1.64 3.08 0.29 2.98 0.00 -1.26 -4.08 105.19 107.85 3fg1 n GLY 792 Ca 0.09 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 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 1.25 -0.46 1.61 3.04 -1.22 0.34 116.25 120.82 3fg1 h VAL 793 Ca 0.00 -0.92 -0.07 0.00 -1.01 0.00 0.00 66.70 64.70 3fg1 h VAL 793 Cb 0.00 0.66 -0.02 0.00 -2.01 0.00 0.00 31.29 29.92 3fg1 h VAL 793 CO 0.00 0.35 0.01 -0.07 -1.01 0.00 0.00 177.57 176.84 3fg1 h LEU 794 N 0.92 0.79 0.52 3.16 3.38 -1.85 -1.44 115.31 120.79 3fg1 h LEU 794 Ca 0.20 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3fg1 h LEU 794 Cb 0.36 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.90 3fg1 h LEU 794 CO 0.00 0.90 -0.25 0.00 0.09 0.00 0.00 178.44 179.18 3fg1 h ALA 795 N 0.92 -0.70 -0.35 1.53 0.00 -1.49 -1.94 119.26 117.24 3fg1 h ALA 795 Ca 0.13 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3fg1 h ALA 795 Cb 0.49 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3fg1 h ALA 795 CO 0.02 -0.85 -0.09 0.97 0.00 0.00 0.00 179.25 179.30 3fg1 h ILE 796 N -0.79 1.23 -0.16 0.00 6.09 -0.96 -1.58 117.51 121.34 3fg1 h ILE 796 Ca -0.07 -1.01 -0.17 0.00 -1.37 0.00 0.00 64.86 62.23 3fg1 h ILE 796 Cb 0.58 1.07 -0.00 0.00 0.47 0.00 0.00 36.82 38.93 3fg1 h ILE 796 CO 0.12 0.34 -0.62 0.44 -3.07 0.00 0.00 178.15 175.36 3fg1 h ASP 797 N 0.54 0.64 -0.28 2.19 5.19 -1.29 0.19 116.42 123.60 3fg1 h ASP 797 Ca 0.10 -0.37 -0.02 0.00 -0.62 0.00 0.00 57.03 56.12 3fg1 h ASP 797 Cb 0.48 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 3fg1 h ASP 797 CO 0.03 1.10 0.09 0.74 -3.12 0.00 0.00 179.24 178.08 3fg1 h THR 798 N 0.42 1.20 -0.40 0.35 2.02 -1.15 -0.07 112.91 115.27 3fg1 h THR 798 Ca -0.01 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.56 3fg1 h THR 798 Cb 1.18 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 3fg1 h THR 798 CO 0.12 0.21 0.25 0.40 0.37 0.00 0.00 175.52 176.86 3fg1 h ILE 799 N 0.29 1.07 0.00 3.11 2.04 -1.13 -3.17 117.51 119.72 3fg1 h ILE 799 Ca 0.09 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 3fg1 h ILE 799 Cb 0.23 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3fg1 h ILE 799 CO -0.00 0.09 -0.31 1.23 0.00 0.00 0.00 178.15 179.16 3fg1 h GLY 800 N 0.51 0.00 1.76 5.37 0.00 -0.39 -1.28 103.07 109.05 3fg1 h GLY 800 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3fg1 h GLY 800 CO -0.05 0.00 0.13 3.21 0.00 0.00 0.00 176.54 179.83 3fg1 h ARG 801 N 0.00 0.32 0.00 4.80 3.08 -0.98 0.13 114.38 121.73 3fg1 h ARG 801 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3fg1 h ARG 801 Cb 0.65 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3fg1 h ARG 801 CO 0.04 0.24 0.00 1.63 -1.07 0.00 0.00 179.97 180.80 3fg1 n LYS 802 N -4.48 0.00 0.00 0.04 5.02 -1.15 -3.11 118.16 114.48 3fg1 n LYS 802 Ca 0.01 0.23 0.09 0.00 -2.02 0.00 0.00 58.31 56.62 3fg1 n LYS 802 Cb 0.09 -0.72 0.41 0.00 -0.02 0.00 0.00 35.03 34.80 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 -1.26 0.02 -0.03 1.97 1.02 -0.49 -1.32 120.64 120.55 3fg1 n GLU 803 Ca 0.00 0.17 -0.07 0.00 -0.02 0.00 0.00 57.16 57.24 3fg1 n GLU 803 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 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 -1.49 0.93 -0.19 -4.62 4.77 -0.04 -3.33 117.00 113.02 3fg1 n LEU 804 Ca 0.05 0.15 0.08 0.00 -0.03 0.00 0.00 56.01 56.25 3fg1 n LEU 804 Cb 0.22 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 3fg1 n LEU 804 CO 0.18 -0.12 0.12 2.30 -1.33 0.00 0.00 177.39 178.53 3fg1 n ILE 805 N -3.57 0.00 -0.91 -0.08 -5.35 -0.72 -1.89 119.36 106.84 3fg1 n ILE 805 Ca -0.13 -0.23 -0.28 0.00 -0.27 0.00 0.00 62.75 61.84 3fg1 n ILE 805 Cb 0.45 1.10 0.22 0.00 -1.74 0.00 0.00 39.64 39.66 3fg1 n ILE 805 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fg1 s GLY 806 N -2.22 1.55 -0.03 3.28 0.00 -0.43 -4.86 107.32 104.60 3fg1 s GLY 806 Ca 0.10 -0.35 -0.34 0.00 0.00 0.00 0.00 44.72 44.13 3fg1 s GLY 806 CO 0.53 0.34 1.83 1.44 0.00 0.00 0.00 173.10 177.24 3fg1 n SER 807 N -4.56 3.43 -0.21 1.64 7.64 -1.26 -1.33 113.62 118.97 3fg1 n SER 807 Ca 0.05 0.99 -0.03 0.00 1.01 0.00 0.00 58.87 60.89 3fg1 n SER 807 Cb 0.56 -1.39 -0.01 0.00 -1.01 0.00 0.00 64.21 62.36 3fg1 n SER 807 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fg1 n GLY 808 N 4.22 0.58 1.12 0.23 0.00 -1.26 -5.01 105.19 105.06 3fg1 n GLY 808 Ca 0.21 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.06 -0.80 0.31 -0.02 0.00 -0.44 -4.78 105.19 97.40 3fg1 n GLY 809 Ca -0.03 -1.75 0.05 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.05 0.15 -0.51 -0.61 2.04 -1.52 -0.46 117.51 115.55 3fg1 h ILE 810 Ca -0.12 -0.01 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 3fg1 h ILE 810 Cb 0.35 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 3fg1 h ILE 810 CO 0.09 0.00 -0.06 0.58 0.00 0.00 0.00 178.15 178.76 3fg1 h VAL 811 N 0.02 1.26 0.00 1.67 2.07 -1.71 -2.64 116.25 116.92 3fg1 h VAL 811 Ca 0.44 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3fg1 h VAL 811 Cb 0.73 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3fg1 h VAL 811 CO -0.86 0.41 -0.10 0.44 0.02 0.00 0.00 177.57 177.48 3fg1 h ASP 812 N 0.83 0.00 0.64 0.57 5.19 -1.33 -2.56 116.42 119.76 3fg1 h ASP 812 Ca 0.14 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.41 3fg1 h ASP 812 Cb 0.58 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 3fg1 h ASP 812 CO 0.04 0.10 -1.47 0.00 -3.12 0.00 0.00 179.24 174.79 3fg1 n GLN 813 N -3.67 0.63 0.00 3.56 6.02 -1.01 -4.57 117.38 118.34 3fg1 n GLN 813 Ca -0.02 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 3fg1 n GLN 813 Cb 0.22 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.71 3fg1 n GLN 813 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3fg1 n SER 814 N -2.80 0.23 -4.42 1.08 3.41 -1.08 -4.86 113.62 105.18 3fg1 n SER 814 Ca -0.10 -0.57 -0.32 0.00 -0.26 0.00 0.00 58.87 57.62 3fg1 n SER 814 Cb 0.80 0.52 -0.14 0.00 -0.26 0.00 0.00 64.21 65.13 3fg1 n SER 814 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3fg1 s LEU 815 N -1.05 2.49 0.25 1.04 2.96 -0.98 -4.36 118.68 119.04 3fg1 s LEU 815 Ca 0.00 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 3fg1 s LEU 815 Cb 0.00 -1.48 0.48 0.00 0.50 0.00 0.00 46.19 45.69 3fg1 s LEU 815 CO 0.00 0.33 1.70 0.28 -1.32 0.00 0.00 176.35 177.34 3fg1 h SER 816 N 5.42 0.11 0.21 3.68 0.02 -1.24 -0.85 113.55 120.89 3fg1 h SER 816 Ca -0.45 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3fg1 h SER 816 Cb 1.14 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3fg1 h SER 816 CO 0.49 -0.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.36 3fg1 n LEU 817 N -5.11 0.00 -4.46 5.07 4.32 -1.26 -0.83 117.00 114.73 3fg1 n LEU 817 Ca 0.15 0.15 -0.37 0.00 -0.02 0.00 0.00 56.01 55.91 3fg1 n LEU 817 Cb 0.47 -0.15 0.05 0.00 -1.62 0.00 0.00 43.42 42.17 3fg1 n LEU 817 CO 0.14 -0.04 0.05 0.61 -1.22 0.00 0.00 177.39 176.93 3fg1 n GLY 818 N 0.47 -1.53 0.00 -0.72 0.00 -0.33 -0.91 105.19 102.18 3fg1 n GLY 818 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.75 0.66 0.00 -0.02 0.00 -1.26 -2.56 105.19 103.76 3fg1 n GLY 819 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.51 2.29 0.28 -0.02 0.00 -1.26 -4.96 105.19 100.01 3fg1 n GLY 820 Ca 0.00 -0.38 0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 1.06 -0.02 0.00 -1.62 -2.78 103.07 99.71 3fg1 h GLY 821 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3fg1 h GLY 821 CO 0.00 0.00 0.14 1.12 0.00 0.00 0.00 176.54 177.80 3fg1 h HIS 822 N 0.00 1.18 -0.14 5.60 2.07 -1.25 -1.35 115.15 121.26 3fg1 h HIS 822 Ca 0.00 -0.15 -0.02 0.00 -2.85 0.00 0.00 60.37 57.35 3fg1 h HIS 822 Cb 0.29 -0.33 -0.01 0.00 2.57 0.00 0.00 27.41 29.94 3fg1 h HIS 822 CO 0.00 0.97 0.00 0.28 -3.07 0.00 0.00 177.93 176.11 3fg1 h VAL 823 N 1.05 1.25 -0.88 6.12 2.07 -1.80 -1.44 116.25 122.61 3fg1 h VAL 823 Ca 0.21 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.97 3fg1 h VAL 823 Cb 0.40 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3fg1 h VAL 823 CO 0.01 0.24 0.58 0.74 0.02 0.00 0.00 177.57 179.15 3fg1 h THR 824 N -0.01 1.11 -0.22 2.57 2.02 -1.54 -1.18 112.91 115.66 3fg1 h THR 824 Ca 0.04 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 3fg1 h THR 824 Cb 0.36 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 3fg1 h THR 824 CO 0.01 0.19 -0.12 0.15 0.37 0.00 0.00 175.52 176.12 3fg1 h PHE 825 N 1.05 0.53 -0.65 3.16 3.57 -1.14 -0.71 116.94 122.76 3fg1 h PHE 825 Ca 0.36 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3fg1 h PHE 825 Cb 0.10 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 3fg1 h PHE 825 CO -0.00 0.75 0.32 0.52 -2.23 0.00 0.00 178.31 177.67 3fg1 h MET 826 N 0.16 0.91 -0.33 1.11 2.86 -0.73 -0.16 114.93 118.76 3fg1 h MET 826 Ca 0.05 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3fg1 h MET 826 Cb 0.62 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3fg1 h MET 826 CO 0.03 0.70 0.09 0.93 1.06 0.00 0.00 176.91 179.73 3fg1 h GLU 827 N 0.91 0.52 -0.63 1.72 5.08 -1.04 0.20 114.58 121.34 3fg1 h GLU 827 Ca 0.23 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3fg1 h GLU 827 Cb 0.08 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3fg1 h GLU 827 CO -0.03 0.57 0.38 -0.22 -1.00 0.00 0.00 179.01 178.70 3fg1 h LYS 828 N 0.38 0.71 -0.77 2.33 3.64 -0.62 -1.99 116.57 120.25 3fg1 h LYS 828 Ca 0.11 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3fg1 h LYS 828 Cb 0.27 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3fg1 h LYS 828 CO -0.00 0.47 0.33 0.00 -2.27 0.00 0.00 179.45 177.98 3fg1 h PHE 830 N 1.11 0.22 -0.66 0.00 3.57 -0.06 -1.68 116.94 119.44 3fg1 h PHE 830 Ca 0.26 -0.05 0.19 0.00 3.53 0.00 0.00 57.97 61.90 3fg1 h PHE 830 Cb 0.19 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3fg1 h PHE 830 CO 0.02 0.55 0.55 0.87 -2.23 0.00 0.00 178.31 178.06 3fg1 h LYS 831 N 0.17 0.00 0.00 1.11 1.57 -1.30 -0.40 116.57 117.72 3fg1 h LYS 831 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3fg1 h LYS 831 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3fg1 h LYS 831 CO 0.06 0.00 -0.97 0.39 -0.57 0.00 0.00 179.45 178.36 3fg1 n GLU 832 N -4.02 0.07 -1.78 3.15 -0.58 -0.65 -1.02 120.64 115.81 3fg1 n GLU 832 Ca 0.13 -0.01 -0.41 0.00 -0.42 0.00 0.00 57.16 56.44 3fg1 n GLU 832 Cb 0.80 -1.51 -0.02 0.00 -0.57 0.00 0.00 31.44 30.14 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 -3.05 2.07 0.02 2.62 1.01 -0.16 -4.97 120.40 117.94 3fg1 s VAL 833 Ca 0.07 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.15 3fg1 s VAL 833 Cb 0.16 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 3fg1 s VAL 833 CO 0.83 0.01 -0.11 0.21 0.00 0.00 0.00 175.10 176.04 3fg1 s ASN 834 N 0.50 1.30 0.59 3.32 2.47 -1.26 -4.27 114.94 117.60 3fg1 s ASN 834 Ca 0.63 -0.34 0.36 0.00 0.42 0.00 0.00 52.86 53.94 3fg1 s ASN 834 Cb -0.48 -0.10 1.84 0.00 -1.45 0.00 0.00 41.25 41.07 3fg1 s ASN 834 CO 0.48 0.04 2.18 0.25 -3.72 0.00 0.00 177.10 176.33 3fg1 h LEU 835 N 5.33 0.00 -1.65 3.21 5.85 -1.04 0.02 115.31 127.03 3fg1 h LEU 835 Ca -0.34 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 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 0.46 0.04 -0.07 1.56 -0.34 0.00 0.00 178.44 180.09 3fg1 h GLN 836 N 0.00 0.00 -0.02 1.25 1.08 -1.85 -2.12 115.11 113.45 3fg1 h GLN 836 Ca -0.00 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 3fg1 h GLN 836 Cb 0.22 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3fg1 h GLN 836 CO 0.00 0.07 0.02 -0.44 -0.95 0.00 0.00 178.83 177.53 3fg1 h ASP 837 N 0.00 0.00 0.18 1.46 3.32 -1.39 -2.40 116.42 117.59 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 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3fg1 h ASP 837 CO 0.01 0.00 -0.08 -1.22 -1.72 0.00 0.00 179.24 176.23 3fg1 n TYR 838 N -3.89 0.00 -3.12 4.55 4.02 -0.80 -4.73 117.16 113.19 3fg1 n TYR 838 Ca -0.03 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.43 3fg1 n TYR 838 Cb 0.11 -0.09 -0.06 0.00 -0.02 0.00 0.00 39.34 39.27 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 -2.26 3.01 0.08 -0.72 2.46 -0.90 -4.68 115.29 112.27 3fg1 s HIS 839 Ca 0.34 -0.49 -0.22 0.00 0.47 0.00 0.00 55.06 55.17 3fg1 s HIS 839 Cb 0.21 -3.62 -0.12 0.00 -0.13 0.00 0.00 32.58 28.91 3fg1 s HIS 839 CO 0.42 -1.08 1.61 1.25 -2.47 0.00 0.00 174.74 174.47 3fg1 h LEU 840 N 9.87 0.16 -0.74 8.88 5.85 -1.87 0.74 115.31 138.19 3fg1 h LEU 840 Ca -0.27 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.30 3fg1 h LEU 840 Cb 1.09 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3fg1 h LEU 840 CO 0.99 0.28 0.48 -0.65 -0.34 0.00 0.00 178.44 179.19 3fg1 h PRO 841 N 0.02 0.92 -0.32 5.25 0.11 -1.97 -1.42 132.00 134.60 3fg1 h PRO 841 Ca 0.04 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.95 3fg1 h PRO 841 Cb 0.17 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3fg1 h PRO 841 CO -0.00 0.61 -0.39 -0.91 -0.21 0.00 0.00 178.00 177.10 3fg1 h ASN 842 N 0.95 0.81 -0.65 -2.05 -0.26 -1.85 -2.21 115.58 110.33 3fg1 h ASN 842 Ca 0.29 -0.36 -0.07 0.00 -0.56 0.00 0.00 56.30 55.60 3fg1 h ASN 842 Cb -0.03 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 36.97 3fg1 h ASN 842 CO -0.09 1.10 0.14 0.00 -1.06 0.00 0.00 177.43 177.52 3fg1 h ALA 843 N 0.93 0.85 -0.37 -0.83 0.00 -0.55 -0.21 119.26 119.09 3fg1 h ALA 843 Ca 0.05 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 3fg1 h ALA 843 Cb 0.94 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3fg1 h ALA 843 CO 0.09 0.59 -0.38 -0.07 0.00 0.00 0.00 179.25 179.48 3fg1 h LEU 844 N 0.97 0.94 -0.02 0.00 3.38 -1.22 -1.83 115.31 117.53 3fg1 h LEU 844 Ca 0.20 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3fg1 h LEU 844 Cb 0.39 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3fg1 h LEU 844 CO 0.01 1.21 0.01 0.50 0.09 0.00 0.00 178.44 180.26 3fg1 h LYS 845 N 0.72 0.03 -0.57 1.13 3.64 -1.32 -1.39 116.57 118.81 3fg1 h LYS 845 Ca 0.06 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3fg1 h LYS 845 Cb 0.96 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 3fg1 h LYS 845 CO 0.09 0.04 0.38 -0.22 -2.27 0.00 0.00 179.45 177.47 3fg1 h LYS 846 N 0.01 0.61 0.00 1.90 3.64 -0.97 -0.37 116.57 121.40 3fg1 h LYS 846 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3fg1 h LYS 846 Cb 0.02 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3fg1 h LYS 846 CO -0.00 0.40 -0.12 0.54 -2.27 0.00 0.00 179.45 178.01 3fg1 n ARG 847 N -4.47 0.13 -2.12 1.90 1.74 -0.69 -4.93 116.66 108.22 3fg1 n ARG 847 Ca 0.07 0.09 -0.07 0.00 -0.77 0.00 0.00 57.85 57.17 3fg1 n ARG 847 Cb 0.16 -1.64 -0.00 0.00 -1.02 0.00 0.00 32.46 29.96 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 1.41 0.09 0.14 -0.13 0.00 -0.15 -0.29 105.19 106.27 3fg1 n GLY 848 Ca 0.06 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.00 1.48 -0.17 1.61 0.24 -0.60 -4.33 118.33 112.57 3fg1 n VAL 849 Ca -0.08 -1.62 0.11 0.00 -2.04 0.00 0.00 64.34 60.71 3fg1 n VAL 849 Cb 0.56 0.12 0.30 0.00 -1.47 0.00 0.00 33.84 33.35 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 -0.84 3.67 -4.33 -1.34 5.75 -1.23 -4.83 116.55 113.39 3fg1 n ASP 850 Ca 0.09 -2.00 -0.42 0.00 -0.01 0.00 0.00 54.79 52.46 3fg1 n ASP 850 Cb 0.48 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.01 5.82 0.54 -1.12 -1.08 -1.26 -4.95 116.67 113.60 3fg1 s ASP 851 Ca 0.46 -1.32 0.32 0.00 -0.52 0.00 0.00 52.55 51.49 3fg1 s ASP 851 Cb 0.24 -2.06 1.34 0.00 -1.46 0.00 0.00 42.92 40.98 3fg1 s ASP 851 CO 0.31 -0.53 1.98 -0.65 0.52 0.00 0.00 175.17 176.80 3fg1 h PRO 852 N 8.52 0.00 0.00 4.34 0.11 -1.88 0.78 132.00 143.86 3fg1 h PRO 852 Ca -0.25 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.82 3fg1 h PRO 852 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3fg1 h PRO 852 CO 0.77 0.04 -0.19 0.66 -0.21 0.00 0.00 178.00 179.07 3fg1 h SER 853 N 0.00 0.00 0.00 -2.05 4.64 -2.00 -3.17 113.55 110.97 3fg1 h SER 853 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3fg1 h SER 853 Cb 0.52 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.55 3fg1 h SER 853 CO 0.01 0.19 -2.32 0.29 -0.87 0.00 0.00 176.83 174.13 3fg1 n LYS 854 N -3.32 0.80 -3.72 4.77 4.76 -0.85 -4.81 118.16 115.79 3fg1 n LYS 854 Ca 0.00 0.05 -0.29 0.00 -2.87 0.00 0.00 58.31 55.20 3fg1 n LYS 854 Cb 0.43 -1.48 -0.13 0.00 -1.84 0.00 0.00 35.03 32.01 3fg1 n LYS 854 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3fg1 s LEU 855 N -5.79 2.85 0.62 -0.35 2.96 0.21 -4.74 118.68 114.44 3fg1 s LEU 855 Ca -0.19 -2.74 -0.05 0.00 -0.22 0.00 0.00 54.13 50.93 3fg1 s LEU 855 Cb 0.07 -1.08 0.03 0.00 0.50 0.00 0.00 46.19 45.71 3fg1 s LEU 855 CO 0.68 -0.25 0.92 -2.16 -1.32 0.00 0.00 176.35 174.22 3fg1 s PRO 856 N 0.20 2.60 -0.98 0.98 0.04 -1.20 -4.30 135.00 132.34 3fg1 s PRO 856 Ca 0.19 -0.21 -0.02 0.00 0.04 0.00 0.00 61.00 61.00 3fg1 s PRO 856 Cb -0.22 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.06 3fg1 s PRO 856 CO -0.02 -0.89 0.83 0.41 0.04 0.00 0.00 177.00 177.37 3fg1 n GLY 857 N -2.67 -0.20 2.89 0.56 0.00 -1.26 -4.93 105.19 99.58 3fg1 n GLY 857 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.28 3.03 -0.02 1.61 5.36 -1.26 -4.86 117.98 118.55 3fg1 s PHE 858 Ca 0.12 -3.08 0.12 0.00 -0.96 0.00 0.00 56.93 53.13 3fg1 s PHE 858 Cb -0.05 -2.62 -0.14 0.00 -0.34 0.00 0.00 43.02 39.87 3fg1 s PHE 858 CO 0.58 -0.71 1.11 1.88 -1.46 0.00 0.00 175.22 176.62 3fg1 h TYR 859 N 6.31 0.00 -0.38 10.12 -1.99 -1.94 -2.20 116.97 126.89 3fg1 h TYR 859 Ca -0.02 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.79 3fg1 h TYR 859 Cb 0.87 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.52 3fg1 h TYR 859 CO 0.54 0.81 -0.14 -0.92 -0.00 0.00 0.00 178.16 178.46 3fg1 h TYR 860 N 0.00 -0.32 0.42 4.88 3.20 -1.94 0.11 116.97 123.33 3fg1 h TYR 860 Ca -0.09 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3fg1 h TYR 860 Cb 1.70 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 40.15 3fg1 h TYR 860 CO 0.00 -0.21 -0.37 -0.09 -1.64 0.00 0.00 178.16 175.85 3fg1 h ARG 861 N -0.06 -0.77 -0.24 1.82 2.43 -1.82 0.20 114.38 115.95 3fg1 h ARG 861 Ca 0.19 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3fg1 h ARG 861 Cb 0.34 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3fg1 h ARG 861 CO -0.42 -0.51 0.10 -0.44 -1.51 0.00 0.00 179.97 177.19 3fg1 h ASP 862 N -0.79 0.34 -0.25 -3.80 3.45 -1.02 -0.07 116.42 114.27 3fg1 h ASP 862 Ca -0.04 -0.17 -0.12 0.00 0.43 0.00 0.00 57.03 57.13 3fg1 h ASP 862 Cb 0.69 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.37 3fg1 h ASP 862 CO -0.03 0.42 -0.33 0.44 -1.57 0.00 0.00 179.24 178.17 3fg1 h ASP 863 N 0.24 0.72 -0.60 6.45 3.32 -0.85 -2.71 116.42 122.98 3fg1 h ASP 863 Ca 0.08 -0.50 0.04 0.00 0.02 0.00 0.00 57.03 56.67 3fg1 h ASP 863 Cb 0.19 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3fg1 h ASP 863 CO -0.01 1.08 0.35 1.23 -1.72 0.00 0.00 179.24 180.17 3fg1 h GLY 864 N 0.37 0.86 1.27 2.75 0.00 -0.37 -1.28 103.07 106.67 3fg1 h GLY 864 Ca 0.03 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 3fg1 h GLY 864 CO 0.08 0.19 -0.10 1.41 0.00 0.00 0.00 176.54 178.11 3fg1 h LEU 865 N 0.67 0.86 -0.48 3.11 3.38 -1.05 0.19 115.31 122.00 3fg1 h LEU 865 Ca 0.25 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3fg1 h LEU 865 Cb 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3fg1 h LEU 865 CO -0.14 0.98 0.30 0.00 0.09 0.00 0.00 178.44 179.68 3fg1 h ALA 866 N 1.10 0.60 -0.25 1.53 0.00 -1.12 -2.06 119.26 119.05 3fg1 h ALA 866 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3fg1 h ALA 866 Cb 0.61 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3fg1 h ALA 866 CO 0.04 0.02 -0.09 -0.07 0.00 0.00 0.00 179.25 179.15 3fg1 h LEU 867 N 0.61 0.52 -0.47 0.00 3.38 -0.89 -2.31 115.31 116.15 3fg1 h LEU 867 Ca 0.18 -0.39 0.10 0.00 0.09 0.00 0.00 57.88 57.86 3fg1 h LEU 867 Cb -0.04 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.47 3fg1 h LEU 867 CO -0.06 0.79 -0.20 -0.25 0.09 0.00 0.00 178.44 178.81 3fg1 h TRP 868 N 0.25 -0.49 -0.81 1.13 2.91 -0.56 -0.50 115.95 117.88 3fg1 h TRP 868 Ca 0.06 0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.11 3fg1 h TRP 868 Cb 0.58 0.29 -0.04 0.00 -0.51 0.00 0.00 29.16 29.47 3fg1 h TRP 868 CO 0.06 -0.28 0.42 1.49 -1.03 0.00 0.00 178.44 179.10 3fg1 h GLU 869 N -0.10 1.14 -0.22 2.65 4.81 -1.25 0.14 114.58 121.75 3fg1 h GLU 869 Ca 0.22 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3fg1 h GLU 869 Cb 0.44 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3fg1 h GLU 869 CO -0.53 0.85 0.01 0.00 -0.73 0.00 0.00 179.01 178.60 3fg1 h ALA 870 N 1.33 0.30 -0.00 2.92 0.00 -0.85 -0.89 119.26 122.07 3fg1 h ALA 870 Ca 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3fg1 h ALA 870 Cb 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fg1 h ALA 870 CO -0.04 0.01 0.00 0.82 0.00 0.00 0.00 179.25 180.04 3fg1 h ILE 871 N 0.16 1.04 -0.54 0.00 2.04 -0.81 -2.01 117.51 117.39 3fg1 h ILE 871 Ca 0.06 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.86 3fg1 h ILE 871 Cb 0.38 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 3fg1 h ILE 871 CO 0.01 0.03 0.23 -0.08 0.00 0.00 0.00 178.15 178.34 3fg1 h GLU 872 N -0.05 0.43 -0.17 2.37 4.81 -0.63 -0.49 114.58 120.85 3fg1 h GLU 872 Ca 0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3fg1 h GLU 872 Cb 0.05 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3fg1 h GLU 872 CO -0.00 0.28 0.09 1.15 -0.73 0.00 0.00 179.01 179.80 3fg1 h THR 873 N 0.44 1.00 -0.07 0.32 2.02 -1.07 0.00 112.91 115.56 3fg1 h THR 873 Ca 0.25 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.38 3fg1 h THR 873 Cb 0.24 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3fg1 h THR 873 CO -0.22 0.03 0.00 0.15 0.37 0.00 0.00 175.52 175.86 3fg1 h PHE 874 N 0.19 0.01 -0.75 3.16 3.57 -0.93 -1.39 116.94 120.79 3fg1 h PHE 874 Ca 0.07 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3fg1 h PHE 874 Cb 0.01 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3fg1 h PHE 874 CO -0.09 -0.00 0.36 0.82 -2.23 0.00 0.00 178.31 177.17 3fg1 h ILE 875 N 0.03 1.24 -0.89 1.41 2.04 -0.97 0.08 117.51 120.46 3fg1 h ILE 875 Ca 0.03 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3fg1 h ILE 875 Cb 0.03 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 3fg1 h ILE 875 CO -0.05 0.29 0.56 1.23 0.00 0.00 0.00 178.15 180.18 3fg1 h GLY 876 N 1.05 1.27 0.93 5.37 0.00 -0.77 0.60 103.07 111.54 3fg1 h GLY 876 Ca 0.26 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3fg1 h GLY 876 CO -0.03 0.49 0.14 0.83 0.00 0.00 0.00 176.54 177.97 3fg1 h GLU 877 N 1.21 0.57 -0.28 4.80 5.08 -0.70 -1.56 114.58 123.71 3fg1 h GLU 877 Ca 0.32 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3fg1 h GLU 877 Cb -0.10 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3fg1 h GLU 877 CO -0.07 0.56 0.14 0.82 -1.00 0.00 0.00 179.01 179.47 3fg1 h ILE 878 N 0.47 1.00 -0.66 3.13 1.08 -0.68 -2.75 117.51 119.10 3fg1 h ILE 878 Ca 0.12 -0.10 0.06 0.00 -0.39 0.00 0.00 64.86 64.55 3fg1 h ILE 878 Cb 0.21 0.68 -0.05 0.00 -3.07 0.00 0.00 36.82 34.58 3fg1 h ILE 878 CO -0.01 0.05 0.36 0.40 -0.69 0.00 0.00 178.15 178.27 3fg1 h ILE 879 N 0.30 0.97 0.00 -0.67 2.04 -0.75 -2.50 117.51 116.89 3fg1 h ILE 879 Ca 0.11 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 3fg1 h ILE 879 Cb 0.03 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3fg1 h ILE 879 CO -0.07 0.12 -0.16 0.00 0.00 0.00 0.00 178.15 178.04 3fg1 h ALA 880 N 1.34 1.59 -0.70 1.87 0.00 -1.11 0.16 119.26 122.41 3fg1 h ALA 880 Ca 0.29 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3fg1 h ALA 880 Cb 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3fg1 h ALA 880 CO -0.18 0.21 0.22 0.82 0.00 0.00 0.00 179.25 180.32 3fg1 h ILE 881 N 0.00 1.25 0.00 0.00 2.04 -1.16 -3.38 117.51 116.27 3fg1 h ILE 881 Ca -0.00 -0.87 -0.27 0.00 1.00 0.00 0.00 64.86 64.72 3fg1 h ILE 881 Cb 0.32 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3fg1 h ILE 881 CO 0.02 0.34 -2.02 0.49 0.00 0.00 0.00 178.15 176.99 3fg1 n PHE 882 N -4.31 0.00 -3.72 1.37 3.01 -0.75 -4.85 117.46 108.20 3fg1 n PHE 882 Ca 0.05 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.13 3fg1 n PHE 882 Cb 0.22 -0.72 -0.12 0.00 -0.01 0.00 0.00 39.48 38.84 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 -2.36 3.15 -0.70 1.38 1.51 0.48 -4.88 117.35 115.94 3fg1 s TYR 883 Ca -0.09 -0.80 0.25 0.00 -1.01 0.00 0.00 57.07 55.41 3fg1 s TYR 883 Cb 0.05 -2.29 0.44 0.00 -0.11 0.00 0.00 41.96 40.05 3fg1 s TYR 883 CO 0.58 -0.52 1.40 1.63 -1.11 0.00 0.00 175.55 177.53 3fg1 n LYS 884 N 4.91 0.25 -2.93 -0.62 4.76 -1.26 -4.31 118.16 118.96 3fg1 n LYS 884 Ca -0.14 0.09 -0.03 0.00 -2.87 0.00 0.00 58.31 55.36 3fg1 n LYS 884 Cb 0.49 -1.68 0.01 0.00 -1.84 0.00 0.00 35.03 32.01 3fg1 n LYS 884 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3fg1 n ASN 885 N -2.05 -1.20 0.16 4.39 0.23 -1.26 -5.04 115.26 110.48 3fg1 n ASN 885 Ca 0.04 -1.69 0.01 0.00 -0.53 0.00 0.00 54.58 52.41 3fg1 n ASN 885 Cb 0.43 1.96 0.32 0.00 -2.08 0.00 0.00 39.78 40.40 3fg1 n ASN 885 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3fg1 h ASP 886 N 1.26 0.08 -0.50 0.53 3.32 -1.93 -3.02 116.42 116.16 3fg1 h ASP 886 Ca -0.18 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 3fg1 h ASP 886 Cb 0.77 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3fg1 h ASP 886 CO 0.24 0.45 0.03 -0.78 -1.72 0.00 0.00 179.24 177.46 3fg1 h ASP 887 N 0.07 0.88 -0.90 6.45 3.58 -1.96 -1.17 116.42 123.37 3fg1 h ASP 887 Ca 0.01 -0.22 0.10 0.00 0.42 0.00 0.00 57.03 57.34 3fg1 h ASP 887 Cb 0.69 -0.23 -0.07 0.00 1.72 0.00 0.00 39.33 41.44 3fg1 h ASP 887 CO 0.05 0.92 0.58 0.44 -2.88 0.00 0.00 179.24 178.35 3fg1 h ASP 888 N 0.86 0.80 0.20 2.28 3.32 -1.94 0.15 116.42 122.08 3fg1 h ASP 888 Ca 0.17 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3fg1 h ASP 888 Cb 0.46 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3fg1 h ASP 888 CO 0.02 0.46 -0.10 0.58 -1.72 0.00 0.00 179.24 178.48 3fg1 h VAL 889 N 0.88 0.89 -0.92 -1.35 2.07 -1.34 -3.03 116.25 113.45 3fg1 h VAL 889 Ca 0.42 -0.54 0.14 0.00 0.82 0.00 0.00 66.70 67.54 3fg1 h VAL 889 Cb 0.44 1.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 3fg1 h VAL 889 CO -0.18 0.12 0.54 0.11 0.02 0.00 0.00 177.57 178.17 3fg1 h LYS 890 N -0.54 0.77 -0.00 1.57 1.57 -0.63 -2.07 116.57 117.23 3fg1 h LYS 890 Ca -0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3fg1 h LYS 890 Cb 0.40 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3fg1 h LYS 890 CO 0.04 0.51 -0.13 0.54 -0.57 0.00 0.00 179.45 179.84 3fg1 n ARG 891 N -4.75 0.19 -2.64 3.15 1.74 -0.02 -4.73 116.66 109.60 3fg1 n ARG 891 Ca 0.18 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 3fg1 n ARG 891 Cb 0.41 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.84 6.19 0.52 0.55 2.15 -0.78 -4.85 116.67 117.61 3fg1 s ASP 892 Ca 0.18 -0.55 0.27 0.00 0.43 0.00 0.00 52.55 52.89 3fg1 s ASP 892 Cb 0.19 -2.52 1.44 0.00 -0.30 0.00 0.00 42.92 41.74 3fg1 s ASP 892 CO 0.55 -1.69 2.07 -1.13 -0.17 0.00 0.00 175.17 174.80 3fg1 h ASN 893 N 9.85 0.00 -0.04 -0.34 -1.24 -1.87 -1.61 115.58 120.32 3fg1 h ASN 893 Ca -0.28 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.69 3fg1 h ASN 893 Cb 1.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.11 3fg1 h ASN 893 CO 1.24 0.12 -0.13 -0.33 -1.29 0.00 0.00 177.43 177.03 3fg1 h GLU 894 N 0.00 0.16 -0.07 6.67 5.08 -1.89 -0.09 114.58 124.44 3fg1 h GLU 894 Ca -0.00 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 3fg1 h GLU 894 Cb 0.33 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3fg1 h GLU 894 CO 0.02 0.75 -0.48 0.97 -1.00 0.00 0.00 179.01 179.27 3fg1 h ILE 895 N -0.41 1.34 -0.33 3.13 6.09 -1.80 -0.47 117.51 125.06 3fg1 h ILE 895 Ca -0.01 -1.69 -0.04 0.00 -1.37 0.00 0.00 64.86 61.75 3fg1 h ILE 895 Cb 0.77 1.83 -0.01 0.00 0.47 0.00 0.00 36.82 39.88 3fg1 h ILE 895 CO 0.03 0.50 0.04 1.56 -3.07 0.00 0.00 178.15 177.21 3fg1 h GLN 896 N 0.15 0.56 -0.66 2.19 1.08 -1.31 -2.60 115.11 114.52 3fg1 h GLN 896 Ca 0.01 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.03 3fg1 h GLN 896 Cb 0.91 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.25 3fg1 h GLN 896 CO 0.07 0.65 0.33 0.77 -0.95 0.00 0.00 178.83 179.70 3fg1 h SER 897 N 0.38 0.82 0.13 1.46 0.02 -0.79 -0.86 113.55 114.71 3fg1 h SER 897 Ca 0.10 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3fg1 h SER 897 Cb 0.37 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3fg1 h SER 897 CO 0.01 0.69 -0.07 -0.25 -1.14 0.00 0.00 176.83 176.06 3fg1 h TRP 898 N 0.92 -0.19 -0.05 3.45 7.01 -0.98 0.16 115.95 126.28 3fg1 h TRP 898 Ca 0.23 -0.00 -0.23 0.00 2.11 0.00 0.00 58.89 61.00 3fg1 h TRP 898 Cb 0.06 0.07 0.01 0.00 -2.10 0.00 0.00 29.16 27.20 3fg1 h TRP 898 CO 0.01 -0.12 -0.90 0.97 -2.79 0.00 0.00 178.44 175.62 3fg1 h ILE 899 N -0.19 1.34 -0.64 2.65 6.09 -1.34 -3.07 117.51 122.35 3fg1 h ILE 899 Ca -0.01 -2.24 -0.06 0.00 -1.37 0.00 0.00 64.86 61.18 3fg1 h ILE 899 Cb 0.16 2.26 -0.03 0.00 0.47 0.00 0.00 36.82 39.68 3fg1 h ILE 899 CO 0.02 0.68 0.17 0.22 -3.07 0.00 0.00 178.15 176.17 3fg1 h TYR 900 N 0.35 1.02 -0.51 2.19 3.20 -1.07 -0.73 116.97 121.42 3fg1 h TYR 900 Ca -0.08 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.71 3fg1 h TYR 900 Cb 1.52 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 3fg1 h TYR 900 CO 0.07 0.83 0.32 0.22 -1.64 0.00 0.00 178.16 177.96 3fg1 h ASP 901 N 0.95 0.53 -0.37 -2.11 3.58 -0.66 0.16 116.42 118.50 3fg1 h ASP 901 Ca 0.21 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.59 3fg1 h ASP 901 Cb 0.31 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 3fg1 h ASP 901 CO -0.00 0.38 -0.02 0.58 -2.88 0.00 0.00 179.24 177.30 3fg1 h VAL 902 N 0.64 1.26 -0.42 2.25 2.07 -1.40 0.11 116.25 120.76 3fg1 h VAL 902 Ca 0.20 -1.03 0.08 0.00 0.82 0.00 0.00 66.70 66.76 3fg1 h VAL 902 Cb -0.02 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 3fg1 h VAL 902 CO -0.07 0.34 -0.03 -0.74 0.02 0.00 0.00 177.57 177.09 3fg1 h HIS 903 N 0.49 -0.09 0.08 1.57 -0.00 -0.73 0.57 115.15 117.04 3fg1 h HIS 903 Ca 0.10 0.03 -0.35 0.00 -0.00 0.00 0.00 60.37 60.15 3fg1 h HIS 903 Cb 0.50 0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.98 3fg1 h HIS 903 CO 0.04 -0.12 -2.02 1.17 -0.00 0.00 0.00 177.93 177.00 3fg1 n LYS 904 N -5.24 0.72 -0.00 5.26 3.00 0.54 -4.57 118.16 117.87 3fg1 n LYS 904 Ca 0.03 0.24 0.01 0.00 -0.00 0.00 0.00 58.31 58.60 3fg1 n LYS 904 Cb 0.23 -1.69 -0.02 0.00 0.00 0.00 0.00 35.03 33.55 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 -3.33 0.71 -0.02 3.14 5.03 0.34 -4.69 115.26 116.44 3fg1 n ASN 905 Ca -0.31 -0.49 -0.02 0.00 0.87 0.00 0.00 54.58 54.63 3fg1 n ASN 905 Cb 1.05 1.02 -0.01 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 1.24 -0.50 3.13 7.41 0.00 -0.20 -4.41 105.19 111.86 3fg1 n GLY 906 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.01 4.17 -2.23 1.61 7.02 0.02 -0.09 117.44 124.93 3fg1 n TRP 907 Ca -0.04 -3.68 -0.42 0.00 -1.02 0.00 0.00 57.50 52.34 3fg1 n TRP 907 Cb 0.13 -1.36 -0.03 0.00 -2.42 0.00 0.00 31.31 27.63 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 -1.76 4.31 -1.13 -0.99 0.52 -1.26 -4.83 118.95 113.81 3fg1 s ARG 908 Ca 0.31 1.97 -0.21 0.00 -0.52 0.00 0.00 55.73 57.27 3fg1 s ARG 908 Cb -0.04 -3.47 0.05 0.00 0.52 0.00 0.00 34.95 32.01 3fg1 s ARG 908 CO -0.05 -0.50 1.61 0.08 0.02 0.00 0.00 175.30 176.46 3fg1 s VAL 909 N 1.93 3.96 0.64 3.52 1.01 -1.26 -4.97 120.40 125.23 3fg1 s VAL 909 Ca 0.63 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3fg1 s VAL 909 Cb -0.32 -5.04 0.08 0.00 0.00 0.00 0.00 36.38 31.10 3fg1 s VAL 909 CO 0.28 -1.89 0.90 0.20 0.00 0.00 0.00 175.10 174.59 3fg1 s ASN 910 N 4.91 4.78 0.14 3.32 0.01 -1.26 -4.94 114.94 121.89 3fg1 s ASN 910 Ca 0.51 -0.21 -0.34 0.00 -0.71 0.00 0.00 52.86 52.11 3fg1 s ASN 910 Cb 0.01 -0.40 -0.14 0.00 0.41 0.00 0.00 41.25 41.13 3fg1 s ASN 910 CO -0.02 -1.53 1.56 -2.65 -1.51 0.00 0.00 177.10 172.95 3fg1 n PRO 911 N -2.61 2.02 -0.07 -0.60 -0.02 -1.26 -1.40 135.00 131.06 3fg1 n PRO 911 Ca 0.12 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3fg1 n PRO 911 Cb 0.60 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 3.35 0.80 3.83 -1.23 0.00 -1.26 -5.06 105.19 105.62 3fg1 n GLY 912 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.35 3.64 0.84 1.61 3.76 -0.49 -4.94 115.29 117.36 3fg1 s HIS 913 Ca 0.00 1.19 -0.12 0.00 -0.15 0.00 0.00 55.06 55.98 3fg1 s HIS 913 Cb 0.00 -2.46 0.09 0.00 1.11 0.00 0.00 32.58 31.32 3fg1 s HIS 913 CO 0.00 0.42 1.10 -0.65 -0.85 0.00 0.00 174.74 174.76 3fg1 s GLN 914 N -1.87 1.76 0.56 1.40 -1.52 -0.19 -4.86 119.66 114.94 3fg1 s GLN 914 Ca 0.38 0.66 -0.21 0.00 -1.95 0.00 0.00 55.36 54.25 3fg1 s GLN 914 Cb -0.16 -1.88 -0.04 0.00 -0.22 0.00 0.00 33.01 30.71 3fg1 s GLN 914 CO 0.20 -1.85 1.34 0.34 -0.25 0.00 0.00 175.29 175.06 3fg1 s ASP 915 N -3.77 5.19 0.00 5.90 2.15 -1.26 -4.85 116.67 120.03 3fg1 s ASP 915 Ca 0.62 2.72 0.20 0.00 0.43 0.00 0.00 52.55 56.52 3fg1 s ASP 915 Cb -0.15 -2.63 0.42 0.00 -0.30 0.00 0.00 42.92 40.25 3fg1 s ASP 915 CO 0.55 -1.62 1.35 1.41 -0.17 0.00 0.00 175.17 176.69 3fg1 n HIS 916 N -1.16 0.55 -1.21 -5.34 8.25 -1.26 -4.67 115.22 110.39 3fg1 n HIS 916 Ca 0.11 -0.33 -0.07 0.00 -0.26 0.00 0.00 57.72 57.17 3fg1 n HIS 916 Cb 0.46 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 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 1.27 0.86 3.62 -1.41 0.00 -1.26 -0.55 105.19 107.73 3fg1 n GLY 917 Ca 0.18 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.02 5.05 0.52 1.61 1.01 -1.26 -4.48 120.40 120.83 3fg1 s VAL 918 Ca 0.00 0.94 -0.21 0.00 0.00 0.00 0.00 61.98 62.71 3fg1 s VAL 918 Cb 0.00 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 3fg1 s VAL 918 CO 0.00 0.08 1.22 -2.84 0.00 0.00 0.00 175.10 173.56 3fg1 s PRO 919 N 2.29 3.40 0.53 2.72 0.02 -1.26 -4.81 135.00 137.89 3fg1 s PRO 919 Ca 0.22 1.89 0.32 0.00 0.02 0.00 0.00 61.00 63.45 3fg1 s PRO 919 Cb -0.16 -2.23 1.20 0.00 0.02 0.00 0.00 34.50 33.33 3fg1 s PRO 919 CO 0.09 -0.88 1.92 0.00 -0.33 0.00 0.00 177.00 177.80 3fg1 h ALA 920 N 1.58 1.00 -2.91 -1.55 0.00 -1.95 -3.41 119.26 112.02 3fg1 h ALA 920 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3fg1 h ALA 920 Cb 1.27 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 3fg1 h ALA 920 CO 0.58 0.00 0.08 -1.54 0.00 0.00 0.00 179.25 178.37 3fg1 s SER 921 N -5.78 -0.24 -0.20 0.00 1.04 -1.26 -4.12 113.70 103.14 3fg1 s SER 921 Ca 0.02 -0.60 -0.08 0.00 0.48 0.00 0.00 55.95 55.77 3fg1 s SER 921 Cb 0.08 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 3fg1 s SER 921 CO 0.56 -1.17 0.08 -0.36 0.98 0.00 0.00 173.24 173.34 3fg1 s PHE 922 N -3.91 3.24 -0.75 5.02 0.40 -1.26 -4.99 117.98 115.73 3fg1 s PHE 922 Ca 0.12 0.03 0.17 0.00 -0.60 0.00 0.00 56.93 56.65 3fg1 s PHE 922 Cb -0.03 -2.14 -0.19 0.00 0.51 0.00 0.00 43.02 41.18 3fg1 s PHE 922 CO 0.03 0.06 0.69 -0.85 0.70 0.00 0.00 175.22 175.85 3fg1 n GLU 923 N 3.89 1.41 -3.75 0.44 0.28 -1.26 -4.26 120.64 117.38 3fg1 n GLU 923 Ca -0.16 -0.01 -0.10 0.00 -0.16 0.00 0.00 57.16 56.73 3fg1 n GLU 923 Cb 0.52 -1.30 -0.06 0.00 1.43 0.00 0.00 31.44 32.04 3fg1 n GLU 923 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3fg1 s SER 924 N -2.67 -0.10 0.30 -1.84 1.04 -1.26 -4.77 113.70 104.40 3fg1 s SER 924 Ca 0.06 -0.50 -0.02 0.00 0.48 0.00 0.00 55.95 55.97 3fg1 s SER 924 Cb 0.13 0.44 0.45 0.00 0.10 0.00 0.00 66.02 67.14 3fg1 s SER 924 CO 0.69 -0.84 1.96 0.03 0.98 0.00 0.00 173.24 176.06 3fg1 h ARG 925 N 2.48 1.05 -0.45 4.02 3.08 -1.87 -2.18 114.38 120.52 3fg1 h ARG 925 Ca -0.33 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 3fg1 h ARG 925 Cb 1.24 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 3fg1 h ARG 925 CO 0.49 0.71 0.25 1.49 -1.07 0.00 0.00 179.97 181.84 3fg1 h GLU 926 N 1.08 0.63 -0.51 0.04 4.81 -1.99 -0.92 114.58 117.72 3fg1 h GLU 926 Ca 0.29 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.36 3fg1 h GLU 926 Cb -0.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3fg1 h GLU 926 CO -0.06 0.49 -0.03 0.37 -0.73 0.00 0.00 179.01 179.06 3fg1 h GLN 927 N 0.59 0.92 -0.69 1.92 4.15 -1.93 -0.86 115.11 119.21 3fg1 h GLN 927 Ca 0.16 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.27 3fg1 h GLN 927 Cb 0.05 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 3fg1 h GLN 927 CO -0.03 0.96 0.44 1.25 -1.93 0.00 0.00 178.83 179.52 3fg1 h LEU 928 N 0.78 0.82 -0.50 -2.39 5.85 -1.19 -1.60 115.31 117.08 3fg1 h LEU 928 Ca 0.14 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3fg1 h LEU 928 Cb 0.56 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3fg1 h LEU 928 CO 0.03 0.62 0.18 0.50 -0.34 0.00 0.00 178.44 179.43 3fg1 h LYS 929 N 0.94 0.76 -0.45 1.25 3.64 -0.97 -0.43 116.57 121.31 3fg1 h LYS 929 Ca 0.25 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3fg1 h LYS 929 Cb -0.07 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3fg1 h LYS 929 CO -0.05 0.69 0.30 1.49 -2.27 0.00 0.00 179.45 179.60 3fg1 h GLU 930 N 0.67 0.59 -0.14 1.90 4.81 -0.80 0.86 114.58 122.47 3fg1 h GLU 930 Ca 0.16 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3fg1 h GLU 930 Cb 0.22 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3fg1 h GLU 930 CO -0.01 0.39 -0.16 0.28 -0.73 0.00 0.00 179.01 178.78 3fg1 h VAL 931 N 0.61 1.35 -0.77 0.32 2.07 -1.07 -1.38 116.25 117.38 3fg1 h VAL 931 Ca 0.16 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.37 3fg1 h VAL 931 Cb -0.07 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3fg1 h VAL 931 CO -0.04 0.39 0.50 -0.07 0.02 0.00 0.00 177.57 178.37 3fg1 h LEU 932 N -0.03 0.85 -0.38 2.57 3.38 -0.97 -1.16 115.31 119.56 3fg1 h LEU 932 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3fg1 h LEU 932 Cb 0.69 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3fg1 h LEU 932 CO 0.04 0.60 0.20 0.74 0.09 0.00 0.00 178.44 180.11 3fg1 h THR 933 N 1.00 1.15 -0.74 0.22 2.02 -0.79 0.18 112.91 115.95 3fg1 h THR 933 Ca 0.29 -0.41 0.09 0.00 0.77 0.00 0.00 66.41 67.15 3fg1 h THR 933 Cb -0.07 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 3fg1 h THR 933 CO -0.08 0.16 0.39 0.28 0.37 0.00 0.00 175.52 176.64 3fg1 h SER 934 N 0.48 0.53 0.12 4.18 0.02 -0.83 -0.36 113.55 117.68 3fg1 h SER 934 Ca 0.13 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3fg1 h SER 934 Cb 0.08 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3fg1 h SER 934 CO -0.02 0.30 -0.06 0.25 -1.14 0.00 0.00 176.83 176.16 3fg1 h LEU 935 N 0.66 -0.13 -0.68 5.07 5.85 -0.75 -2.01 115.31 123.31 3fg1 h LEU 935 Ca 0.36 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3fg1 h LEU 935 Cb 0.37 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3fg1 h LEU 935 CO -0.26 0.37 0.36 0.58 -0.34 0.00 0.00 178.44 179.14 3fg1 h VAL 936 N -0.68 1.22 -0.88 1.05 2.07 -0.89 -1.01 116.25 117.13 3fg1 h VAL 936 Ca -0.02 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 66.95 3fg1 h VAL 936 Cb 0.52 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 3fg1 h VAL 936 CO 0.03 0.25 0.57 0.15 0.02 0.00 0.00 177.57 178.58 3fg1 h PHE 937 N 0.94 1.07 -0.05 1.57 3.57 -1.12 -2.25 116.94 120.68 3fg1 h PHE 937 Ca 0.24 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3fg1 h PHE 937 Cb 0.07 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.45 3fg1 h PHE 937 CO -0.00 0.63 -0.01 1.15 -2.23 0.00 0.00 178.31 177.85 3fg1 h THR 938 N 1.12 1.29 -0.92 4.41 2.02 -0.71 0.23 112.91 120.36 3fg1 h THR 938 Ca 0.34 -0.91 0.14 0.00 0.77 0.00 0.00 66.41 66.75 3fg1 h THR 938 Cb -0.03 1.81 -0.08 0.00 -1.74 0.00 0.00 68.15 68.11 3fg1 h THR 938 CO -0.11 0.25 0.59 -0.26 0.37 0.00 0.00 175.52 176.36 3fg1 h PHE 939 N -0.25 0.90 0.00 3.16 0.05 -1.07 -1.53 116.94 118.20 3fg1 h PHE 939 Ca 0.01 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.83 3fg1 h PHE 939 Cb 0.40 -0.28 0.00 0.00 2.00 0.00 0.00 35.95 38.07 3fg1 h PHE 939 CO 0.05 0.33 0.00 -1.13 -0.18 0.00 0.00 178.31 177.39 3fg1 n SER 940 N -4.58 0.00 -0.04 2.17 3.41 -0.86 -2.61 113.62 111.11 3fg1 n SER 940 Ca 0.18 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.67 3fg1 n SER 940 Cb 0.45 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.09 0.51 -0.56 0.00 5.75 -1.09 -0.02 115.11 119.61 3fg1 h GLN 942 Ca 0.03 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3fg1 h GLN 942 Cb 0.40 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 3fg1 h GLN 942 CO 0.01 0.58 0.37 1.25 -2.65 0.00 0.00 178.83 178.38 3fg1 h HIS 943 N 0.35 0.70 -0.36 3.99 2.76 -1.25 -2.05 115.15 119.29 3fg1 h HIS 943 Ca 0.10 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.31 3fg1 h HIS 943 Cb 0.30 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 3fg1 h HIS 943 CO 0.01 0.44 0.17 0.00 -1.30 0.00 0.00 177.93 177.26 3fg1 h ALA 944 N 1.21 0.43 -0.15 5.26 0.00 -0.64 0.92 119.26 126.29 3fg1 h ALA 944 Ca 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3fg1 h ALA 944 Cb -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3fg1 h ALA 944 CO -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 179.25 178.99 3fg1 h ALA 945 N 1.19 1.70 0.00 0.00 0.00 -0.65 -0.90 119.26 120.60 3fg1 h ALA 945 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fg1 h ALA 945 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3fg1 h ALA 945 CO -0.11 0.23 -1.04 1.33 0.00 0.00 0.00 179.25 179.66 3fg1 n VAL 946 N -4.39 0.00 -0.10 0.00 0.24 -0.81 -4.23 118.33 109.04 3fg1 n VAL 946 Ca -0.01 -0.04 -0.18 0.00 -2.04 0.00 0.00 64.34 62.08 3fg1 n VAL 946 Cb 0.18 0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 33.36 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 -1.56 1.82 -0.01 -1.34 2.85 0.29 -4.67 115.26 112.64 3fg1 n ASN 947 Ca 0.04 0.31 0.14 0.00 -0.11 0.00 0.00 54.58 54.95 3fg1 n ASN 947 Cb 0.35 -0.72 0.61 0.00 1.24 0.00 0.00 39.78 41.25 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 -4.25 0.00 0.53 1.20 3.01 -0.36 -2.13 117.46 115.46 3fg1 n PHE 948 Ca -0.31 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.22 3fg1 n PHE 948 Cb 0.66 -0.41 0.32 0.00 -0.01 0.00 0.00 39.48 40.04 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 -1.42 0.00 0.18 4.37 3.41 -1.25 -4.17 113.62 114.74 3fg1 n SER 949 Ca 0.09 0.43 0.05 0.00 -0.26 0.00 0.00 58.87 59.17 3fg1 n SER 949 Cb 0.32 -0.46 0.29 0.00 -0.26 0.00 0.00 64.21 64.09 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 -0.03 4.33 4.20 -1.70 -2.54 115.11 119.38 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 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3fg1 h GLN 950 CO 0.00 0.42 0.01 -0.22 -0.67 0.00 0.00 178.83 178.37 3fg1 h LYS 951 N 0.00 0.04 -0.48 1.46 3.11 -1.83 0.25 116.57 119.12 3fg1 h LYS 951 Ca -0.00 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.74 3fg1 h LYS 951 Cb 0.97 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.17 3fg1 h LYS 951 CO 0.05 0.14 -0.04 -0.44 -2.81 0.00 0.00 179.45 176.35 3fg1 h ASP 952 N -0.07 0.82 0.05 4.20 3.45 -1.84 0.32 116.42 123.35 3fg1 h ASP 952 Ca 0.01 -0.22 -0.00 0.00 0.43 0.00 0.00 57.03 57.25 3fg1 h ASP 952 Cb 0.11 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 3fg1 h ASP 952 CO -0.00 0.91 -0.02 -0.74 -1.57 0.00 0.00 179.24 177.81 3fg1 h HIS 953 N 0.77 -0.06 0.00 4.55 2.76 -1.35 -3.36 115.15 118.45 3fg1 h HIS 953 Ca 0.14 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3fg1 h HIS 953 Cb 0.53 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.51 3fg1 h HIS 953 CO 0.03 0.49 -1.29 0.66 -1.30 0.00 0.00 177.93 176.51 3fg1 n TYR 954 N -4.85 0.00 -0.26 5.26 4.02 0.87 -4.22 117.16 117.99 3fg1 n TYR 954 Ca -0.09 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.87 3fg1 n TYR 954 Cb 0.29 -0.20 0.18 0.00 -0.02 0.00 0.00 39.34 39.60 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 3.63 0.98 -7.35 2.72 0.00 -0.98 -3.29 103.07 98.80 3fg1 h GLY 955 Ca 0.00 0.03 -0.70 0.00 0.00 0.00 0.00 47.33 46.66 3fg1 h GLY 955 CO 0.00 -0.26 -0.19 -0.12 0.00 0.00 0.00 176.54 175.97 3fg1 s PHE 956 N -6.06 3.16 0.16 5.60 5.36 -1.26 -4.60 117.98 120.34 3fg1 s PHE 956 Ca -0.13 -0.47 -0.15 0.00 -0.96 0.00 0.00 56.93 55.22 3fg1 s PHE 956 Cb 0.22 -3.01 0.04 0.00 -0.34 0.00 0.00 43.02 39.93 3fg1 s PHE 956 CO 0.76 -0.76 1.77 1.15 -1.46 0.00 0.00 175.22 176.68 3fg1 h THR 957 N 5.75 1.16 -0.03 0.12 2.02 -1.85 -0.70 112.91 119.37 3fg1 h THR 957 Ca -0.27 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.53 3fg1 h THR 957 Cb 1.11 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3fg1 h THR 957 CO 0.83 0.17 0.12 -0.65 0.37 0.00 0.00 175.52 176.36 3fg1 h PRO 958 N 0.63 0.00 0.00 6.66 0.11 -1.91 0.02 132.00 137.51 3fg1 h PRO 958 Ca 0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 3fg1 h PRO 958 Cb 0.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 3fg1 h PRO 958 CO -0.03 0.00 -0.08 -0.97 -0.21 0.00 0.00 178.00 176.71 3fg1 h ASN 959 N 0.00 0.00 -0.20 -2.05 -0.73 -1.41 -3.39 115.58 107.79 3fg1 h ASN 959 Ca 0.02 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.05 3fg1 h ASN 959 Cb 0.26 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.71 3fg1 h ASN 959 CO -0.00 0.08 -0.33 0.00 -0.37 0.00 0.00 177.43 176.82 3fg1 n ALA 960 N -2.23 -2.35 -1.76 1.57 0.00 -0.06 -5.01 120.51 110.66 3fg1 n ALA 960 Ca -0.02 -0.87 -0.38 0.00 0.00 0.00 0.00 53.44 52.17 3fg1 n ALA 960 Cb 0.22 -2.10 0.01 0.00 0.00 0.00 0.00 19.45 17.58 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 3.58 0.00 0.00 0.04 -0.90 -4.89 135.00 133.44 3fg1 s PRO 961 Ca 0.29 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.40 3fg1 s PRO 961 Cb 0.17 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 3fg1 s PRO 961 CO -0.15 -0.78 0.30 0.00 0.04 0.00 0.00 177.00 176.41 3fg1 n ALA 962 N -0.54 2.43 -2.86 8.56 0.00 -1.26 -3.36 120.51 123.47 3fg1 n ALA 962 Ca 0.08 -0.24 -0.17 0.00 0.00 0.00 0.00 53.44 53.10 3fg1 n ALA 962 Cb 0.46 -0.11 -0.15 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.93 0.50 0.05 0.00 1.01 -1.26 -0.72 121.20 119.85 3fg1 s ILE 963 Ca 0.02 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.49 3fg1 s ILE 963 Cb 0.03 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 3fg1 s ILE 963 CO 0.10 0.15 -0.19 -0.76 0.00 0.00 0.00 174.94 174.24 3fg1 s LEU 964 N 0.00 2.20 0.00 2.97 1.43 -1.22 -3.65 118.68 120.41 3fg1 s LEU 964 Ca 0.00 -0.54 0.14 0.00 -1.03 0.00 0.00 54.13 52.71 3fg1 s LEU 964 Cb -0.04 -0.86 -0.13 0.00 0.03 0.00 0.00 46.19 45.19 3fg1 s LEU 964 CO -0.00 0.10 0.65 0.54 0.23 0.00 0.00 176.35 177.87 3fg1 n ARG 965 N 1.69 2.16 -4.27 1.70 1.74 0.33 -0.38 116.66 119.62 3fg1 n ARG 965 Ca -0.18 -0.13 -0.16 0.00 -0.77 0.00 0.00 57.85 56.61 3fg1 n ARG 965 Cb 0.54 -1.19 -0.10 0.00 -1.02 0.00 0.00 32.46 30.68 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 -2.27 1.39 0.85 -1.55 3.76 -1.26 -4.81 115.29 111.40 3fg1 s HIS 966 Ca 0.07 -0.66 -0.12 0.00 -0.15 0.00 0.00 55.06 54.20 3fg1 s HIS 966 Cb 0.11 -0.70 0.10 0.00 1.11 0.00 0.00 32.58 33.21 3fg1 s HIS 966 CO 0.56 0.16 1.10 -1.25 -0.85 0.00 0.00 174.74 174.45 3fg1 s PRO 967 N -3.43 1.64 0.89 8.40 0.04 -1.26 -4.81 135.00 136.47 3fg1 s PRO 967 Ca 0.16 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 61.77 3fg1 s PRO 967 Cb -0.00 -1.86 0.13 0.00 0.04 0.00 0.00 34.50 32.80 3fg1 s PRO 967 CO 0.03 -1.94 1.10 -2.14 0.04 0.00 0.00 177.00 174.09 3fg1 s PRO 968 N -5.07 1.28 0.55 0.56 0.02 -1.26 -5.00 135.00 126.08 3fg1 s PRO 968 Ca 0.62 1.18 -0.16 0.00 0.02 0.00 0.00 61.00 62.66 3fg1 s PRO 968 Cb -0.16 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 3fg1 s PRO 968 CO 0.55 -2.33 1.02 -1.25 -0.33 0.00 0.00 177.00 174.66 3fg1 s PRO 969 N -4.78 3.65 0.00 5.54 0.04 -1.26 -4.98 135.00 133.21 3fg1 s PRO 969 Ca 0.64 1.05 0.18 0.00 0.04 0.00 0.00 61.00 62.92 3fg1 s PRO 969 Cb -0.20 -2.09 0.15 0.00 0.04 0.00 0.00 34.50 32.40 3fg1 s PRO 969 CO 0.58 -0.52 1.08 1.63 0.04 0.00 0.00 177.00 179.81 3fg1 n LYS 970 N -1.84 1.54 -3.67 4.56 5.02 -1.26 -4.79 118.16 117.73 3fg1 n LYS 970 Ca 0.07 -1.60 -0.10 0.00 -2.02 0.00 0.00 58.31 54.67 3fg1 n LYS 970 Cb 0.53 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.50 1.08 0.67 1.97 -2.85 -1.26 -4.05 119.74 113.80 3fg1 s LYS 971 Ca 0.21 -0.75 -0.11 0.00 -1.00 0.00 0.00 55.97 54.33 3fg1 s LYS 971 Cb 0.15 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 3fg1 s LYS 971 CO 0.23 -0.42 1.05 0.15 0.10 0.00 0.00 175.35 176.46 3fg1 s LYS 972 N -3.82 3.04 0.00 1.78 1.02 -1.26 -4.40 119.74 116.10 3fg1 s LYS 972 Ca 0.04 0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.50 3fg1 s LYS 972 Cb 0.02 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 3fg1 s LYS 972 CO -0.11 -0.88 0.00 0.41 -0.92 0.00 0.00 175.35 173.85 3fg1 n GLY 973 N -2.89 0.75 0.08 -3.33 0.00 -1.26 -4.94 105.19 93.60 3fg1 n GLY 973 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 3fg1 n GLY 973 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3fg1 n GLU 974 N -2.38 0.65 -2.06 1.61 -0.00 -1.26 -4.98 120.64 112.22 3fg1 n GLU 974 Ca 0.00 0.12 -0.41 0.00 -0.00 0.00 0.00 57.16 56.86 3fg1 n GLU 974 Cb 0.00 -1.69 -0.02 0.00 -0.00 0.00 0.00 31.44 29.73 3fg1 n GLU 974 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3fg1 s ALA 975 N -2.84 3.59 0.25 -1.84 0.00 -1.26 -5.00 121.76 114.66 3fg1 s ALA 975 Ca -0.06 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.25 3fg1 s ALA 975 Cb 0.09 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 3fg1 s ALA 975 CO 0.83 -0.70 -0.06 0.95 0.00 0.00 0.00 175.76 176.79 3fg1 s THR 976 N -0.15 1.47 0.18 0.00 -4.23 -1.26 -4.66 115.64 107.00 3fg1 s THR 976 Ca 0.57 -2.11 -0.13 0.00 -1.18 0.00 0.00 61.69 58.84 3fg1 s THR 976 Cb -0.41 -2.33 0.09 0.00 1.34 0.00 0.00 72.50 71.19 3fg1 s THR 976 CO 0.44 -0.37 1.73 0.25 -0.54 0.00 0.00 174.62 176.13 3fg1 h LEU 977 N 2.39 0.09 -0.44 4.79 5.85 -1.96 0.07 115.31 126.10 3fg1 h LEU 977 Ca -0.39 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.48 3fg1 h LEU 977 Cb 1.23 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.27 3fg1 h LEU 977 CO 0.66 0.08 0.04 -0.61 -0.34 0.00 0.00 178.44 178.27 3fg1 h GLN 978 N 0.29 0.16 -0.40 1.25 5.75 -1.96 0.20 115.11 120.39 3fg1 h GLN 978 Ca 0.23 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.62 3fg1 h GLN 978 Cb 0.27 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3fg1 h GLN 978 CO -0.27 0.10 -0.15 0.66 -2.65 0.00 0.00 178.83 176.53 3fg1 h SER 979 N 0.16 0.82 0.19 -0.69 4.64 -1.87 -2.28 113.55 114.53 3fg1 h SER 979 Ca 0.22 -0.39 0.01 0.00 -0.47 0.00 0.00 61.79 61.16 3fg1 h SER 979 Cb 0.30 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 3fg1 h SER 979 CO -0.33 1.02 -0.36 0.40 -0.87 0.00 0.00 176.83 176.69 3fg1 h ILE 980 N 0.61 0.25 -1.00 0.95 2.04 -0.63 -2.29 117.51 117.44 3fg1 h ILE 980 Ca 0.09 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.21 3fg1 h ILE 980 Cb 0.69 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 3fg1 h ILE 980 CO 0.05 0.00 0.67 -0.07 0.00 0.00 0.00 178.15 178.80 3fg1 h LEU 981 N -0.64 0.30 0.00 1.44 3.38 -0.51 0.16 115.31 119.43 3fg1 h LEU 981 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3fg1 h LEU 981 Cb 0.64 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3fg1 h LEU 981 CO -0.17 0.08 -0.21 -1.54 0.09 0.00 0.00 178.44 176.69 3fg1 n SER 982 N -4.47 0.27 -0.07 -0.43 3.41 -0.87 -3.63 113.62 107.83 3fg1 n SER 982 Ca 0.22 0.22 -0.16 0.00 -0.26 0.00 0.00 58.87 58.89 3fg1 n SER 982 Cb 0.89 -0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 64.48 3fg1 n SER 982 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3fg1 n THR 983 N -1.58 1.58 -0.82 6.66 -1.04 0.39 -4.64 114.28 114.84 3fg1 n THR 983 Ca 0.06 -0.68 -0.32 0.00 -2.04 0.00 0.00 64.05 61.07 3fg1 n THR 983 Cb 0.35 -1.29 0.14 0.00 -1.82 0.00 0.00 70.33 67.71 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 -3.21 2.56 -4.71 -4.42 4.77 -0.31 -0.52 117.00 111.17 3fg1 n LEU 984 Ca -0.35 0.44 -0.38 0.00 -0.03 0.00 0.00 56.01 55.69 3fg1 n LEU 984 Cb 1.05 -1.41 0.05 0.00 -2.33 0.00 0.00 43.42 40.78 3fg1 n LEU 984 CO 0.37 -2.48 0.87 -2.65 -1.33 0.00 0.00 177.39 172.17 3fg1 n PRO 985 N -3.26 1.37 -0.63 3.23 -0.02 -1.24 -4.65 135.00 129.79 3fg1 n PRO 985 Ca 0.11 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.81 3fg1 n PRO 985 Cb 0.52 -2.47 0.22 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.10 1.60 0.32 2.55 1.04 -1.26 -4.69 113.70 112.17 3fg1 s SER 986 Ca 0.75 1.67 0.01 0.00 0.48 0.00 0.00 55.95 58.86 3fg1 s SER 986 Cb -0.41 -2.35 0.54 0.00 0.10 0.00 0.00 66.02 63.90 3fg1 s SER 986 CO 0.46 -3.84 1.95 0.07 0.98 0.00 0.00 173.24 172.86 3fg1 h LYS 987 N -2.38 0.86 -0.08 4.02 2.10 -1.99 -0.30 116.57 118.81 3fg1 h LYS 987 Ca -0.56 -0.09 -0.21 0.00 -2.00 0.00 0.00 60.65 57.79 3fg1 h LYS 987 Cb 1.31 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3fg1 h LYS 987 CO 0.49 0.63 -0.81 0.66 -2.00 0.00 0.00 179.45 178.42 3fg1 h SER 988 N 0.87 0.66 -0.57 7.07 4.64 -1.99 -0.29 113.55 123.95 3fg1 h SER 988 Ca 0.22 -0.46 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 3fg1 h SER 988 Cb 0.02 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 3fg1 h SER 988 CO -0.04 1.23 0.26 1.56 -0.87 0.00 0.00 176.83 178.98 3fg1 h GLN 989 N 0.36 0.82 -0.50 4.77 4.20 -1.82 -0.40 115.11 122.54 3fg1 h GLN 989 Ca -0.05 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 3fg1 h GLN 989 Cb 1.42 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 3fg1 h GLN 989 CO 0.15 0.68 0.09 0.00 -0.67 0.00 0.00 178.83 179.08 3fg1 h ALA 990 N 1.10 0.67 -0.76 3.87 0.00 -1.03 -1.78 119.26 121.33 3fg1 h ALA 990 Ca 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3fg1 h ALA 990 Cb 0.14 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3fg1 h ALA 990 CO -0.02 0.39 0.39 0.00 0.00 0.00 0.00 179.25 180.01 3fg1 h ALA 991 N 0.98 1.26 -0.29 0.00 0.00 -0.68 -1.95 119.26 118.57 3fg1 h ALA 991 Ca 0.15 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3fg1 h ALA 991 Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3fg1 h ALA 991 CO 0.01 0.58 -0.36 0.87 0.00 0.00 0.00 179.25 180.35 3fg1 h LYS 992 N 1.06 0.67 -0.79 0.00 1.57 -0.93 -0.21 116.57 117.95 3fg1 h LYS 992 Ca 0.26 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3fg1 h LYS 992 Cb 0.06 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3fg1 h LYS 992 CO -0.04 0.93 0.51 0.00 -0.57 0.00 0.00 179.45 180.27 3fg1 h ALA 993 N 1.04 1.01 -0.39 3.86 0.00 -0.96 -0.85 119.26 122.97 3fg1 h ALA 993 Ca 0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3fg1 h ALA 993 Cb 0.88 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3fg1 h ALA 993 CO 0.08 0.44 -0.04 0.82 0.00 0.00 0.00 179.25 180.55 3fg1 h ILE 994 N 1.08 1.27 -0.61 0.00 2.04 -0.93 -1.41 117.51 118.95 3fg1 h ILE 994 Ca 0.29 -1.08 0.05 0.00 1.00 0.00 0.00 64.86 65.12 3fg1 h ILE 994 Cb -0.09 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3fg1 h ILE 994 CO -0.06 0.36 0.33 0.00 0.00 0.00 0.00 178.15 178.79 3fg1 h ALA 995 N 0.86 0.80 -0.20 1.87 0.00 -0.84 -0.78 119.26 120.97 3fg1 h ALA 995 Ca 0.10 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3fg1 h ALA 995 Cb 0.54 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3fg1 h ALA 995 CO 0.03 0.01 -0.09 1.15 0.00 0.00 0.00 179.25 180.35 3fg1 h THR 996 N 0.63 0.70 -0.97 0.00 2.02 -0.93 -1.60 112.91 112.76 3fg1 h THR 996 Ca 0.27 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.46 3fg1 h THR 996 Cb 0.15 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 3fg1 h THR 996 CO -0.17 0.00 0.63 0.58 0.37 0.00 0.00 175.52 176.93 3fg1 h VAL 997 N -0.07 1.25 -0.24 3.16 2.07 -0.88 -0.19 116.25 121.36 3fg1 h VAL 997 Ca 0.11 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3fg1 h VAL 997 Cb 0.23 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 3fg1 h VAL 997 CO -0.24 0.25 0.09 0.22 0.02 0.00 0.00 177.57 177.91 3fg1 h TYR 998 N 1.32 0.17 -0.19 1.57 3.20 -0.57 -1.56 116.97 120.91 3fg1 h TYR 998 Ca 0.35 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.21 3fg1 h TYR 998 Cb -0.13 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3fg1 h TYR 998 CO -0.00 0.09 0.01 0.82 -1.64 0.00 0.00 178.16 177.44 3fg1 h ILE 999 N 0.21 1.25 0.00 1.81 2.04 -0.93 -3.04 117.51 118.84 3fg1 h ILE 999 Ca 0.10 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3fg1 h ILE 999 Cb 0.06 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3fg1 h ILE 999 CO -0.09 0.25 0.00 -0.07 0.00 0.00 0.00 178.15 178.24 3fg1 h LEU 1000N 0.10 0.00 -2.91 1.44 3.38 -0.82 -3.12 115.31 113.37 3fg1 h LEU 1000Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3fg1 h LEU 1000Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3fg1 h LEU 1000CO 0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.89 3fg1 n THR 1001N -2.69 1.06 -2.60 0.22 -2.24 -0.61 -4.85 114.28 102.57 3fg1 n THR 1001Ca 0.01 -1.04 -0.43 0.00 -2.27 0.00 0.00 64.05 60.32 3fg1 n THR 1001Cb 0.28 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.08 3.92 0.17 -0.78 2.20 -1.15 -4.99 119.74 118.01 3fg1 s LYS 1002Ca 0.21 0.91 -0.30 0.00 -0.36 0.00 0.00 55.97 56.43 3fg1 s LYS 1002Cb 0.12 -3.82 -0.08 0.00 -1.51 0.00 0.00 37.83 32.54 3fg1 s LYS 1002CO 0.14 -1.11 1.22 -0.06 -0.36 0.00 0.00 175.35 175.17 3fg1 s PHE 1003N 4.05 3.41 0.53 4.03 0.40 -1.26 -5.00 117.98 124.13 3fg1 s PHE 1003Ca 0.48 1.37 -0.18 0.00 -0.60 0.00 0.00 56.93 57.99 3fg1 s PHE 1003Cb -0.11 -3.46 -0.07 0.00 0.51 0.00 0.00 43.02 39.90 3fg1 s PHE 1003CO 0.22 -1.33 1.04 -1.54 0.70 0.00 0.00 175.22 174.32 3fg1 s SER 1004N 0.31 6.16 0.60 1.36 1.04 -1.26 -4.92 113.70 116.99 3fg1 s SER 1004Ca 0.54 1.87 0.31 0.00 0.48 0.00 0.00 55.95 59.15 3fg1 s SER 1004Cb -0.33 -2.55 1.85 0.00 0.10 0.00 0.00 66.02 65.10 3fg1 s SER 1004CO 0.35 -0.91 2.24 -0.33 0.98 0.00 0.00 173.24 175.58 3fg1 h GLU 1005N 1.12 0.00 -0.67 4.02 3.07 -1.96 -1.93 114.58 118.23 3fg1 h GLU 1005Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 3fg1 h GLU 1005Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3fg1 h GLU 1005CO 0.59 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.80 3fg1 n ASP 1006N -3.78 4.80 -4.73 1.42 5.75 -1.26 -5.00 116.55 113.75 3fg1 n ASP 1006Ca -0.02 -2.43 -0.42 0.00 -0.01 0.00 0.00 54.79 51.90 3fg1 n ASP 1006Cb 0.11 -0.58 -0.01 0.00 -1.03 0.00 0.00 41.12 39.61 3fg1 n ASP 1006CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3fg1 n GLU 1007N 1.19 2.44 -4.63 0.11 4.07 -0.73 -5.00 120.64 118.09 3fg1 n GLU 1007Ca 0.26 0.86 -0.33 0.00 -0.06 0.00 0.00 57.16 57.89 3fg1 n GLU 1007Cb 0.89 -2.57 -0.14 0.00 -0.06 0.00 0.00 31.44 29.57 3fg1 n GLU 1007CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3fg1 s ARG 1008N -1.10 3.47 0.54 5.31 0.52 -1.26 -5.05 118.95 121.38 3fg1 s ARG 1008Ca 0.61 -0.63 0.07 0.00 -0.52 0.00 0.00 55.73 55.26 3fg1 s ARG 1008Cb -0.54 -2.73 0.06 0.00 0.52 0.00 0.00 34.95 32.26 3fg1 s ARG 1008CO 0.55 0.21 0.74 0.71 0.02 0.00 0.00 175.30 177.52 3fg1 s TYR 1009N 0.40 2.04 -0.26 -0.53 1.51 -1.26 -1.32 117.35 117.93 3fg1 s TYR 1009Ca -0.08 -0.49 -0.37 0.00 -1.01 0.00 0.00 57.07 55.12 3fg1 s TYR 1009Cb -0.15 -2.42 -0.13 0.00 -0.11 0.00 0.00 41.96 39.15 3fg1 s TYR 1009CO 0.04 -0.95 1.93 -0.11 -1.11 0.00 0.00 175.55 175.36 3fg1 n LEU 1010N -2.20 2.57 0.00 -1.29 7.94 0.15 -0.89 117.00 123.28 3fg1 n LEU 1010Ca 0.12 0.82 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 3fg1 n LEU 1010Cb 0.60 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.32 3fg1 n LEU 1010CO 0.40 -0.43 0.00 0.61 -1.11 0.00 0.00 177.39 176.86 3fg1 n GLY 1011N 5.08 0.80 3.58 -3.96 0.00 -1.26 -4.92 105.19 104.50 3fg1 n GLY 1011Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.97 6.20 -0.27 1.61 3.84 -0.07 -4.83 114.94 118.45 3fg1 s ASN 1012Ca 0.00 0.20 0.09 0.00 0.21 0.00 0.00 52.86 53.36 3fg1 s ASN 1012Cb 0.00 -2.55 0.46 0.00 -0.55 0.00 0.00 41.25 38.61 3fg1 s ASN 1012CO 0.00 -1.67 1.32 -1.22 -2.79 0.00 0.00 177.10 172.75 3fg1 n TYR 1013N 9.31 1.11 0.28 0.43 4.01 -1.26 -4.70 117.16 126.33 3fg1 n TYR 1013Ca 0.11 -1.77 0.15 0.00 -0.16 0.00 0.00 57.90 56.23 3fg1 n TYR 1013Cb 0.49 -0.40 0.83 0.00 -0.31 0.00 0.00 39.34 39.96 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 1.32 0.00 -0.75 7.72 4.64 -1.99 -2.80 113.55 121.67 3fg1 h SER 1014Ca 0.18 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.99 3fg1 h SER 1014Cb 1.32 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.11 3fg1 h SER 1014CO 0.36 0.07 -0.02 0.00 -0.87 0.00 0.00 176.83 176.38 3fg1 n ALA 1015N -2.24 5.34 -2.59 5.18 0.00 -1.26 -5.01 120.51 119.93 3fg1 n ALA 1015Ca -0.02 -3.50 -0.22 0.00 0.00 0.00 0.00 53.44 49.69 3fg1 n ALA 1015Cb 0.19 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 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 -4.31 3.44 -0.87 0.00 -4.23 -1.06 -4.95 115.64 103.66 3fg1 s THR 1016Ca 0.55 -1.62 0.16 0.00 -1.18 0.00 0.00 61.69 59.60 3fg1 s THR 1016Cb 0.45 -3.07 0.73 0.00 1.34 0.00 0.00 72.50 71.95 3fg1 s THR 1016CO 0.02 -0.24 1.64 0.00 -0.54 0.00 0.00 174.62 175.49 3fg1 n ALA 1017N -1.16 3.34 -1.95 3.99 0.00 -1.26 -4.99 120.51 118.48 3fg1 n ALA 1017Ca -0.04 -1.63 -0.41 0.00 0.00 0.00 0.00 53.44 51.36 3fg1 n ALA 1017Cb 0.60 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.12 3.28 0.00 0.00 0.52 -1.26 -4.80 118.94 114.55 3fg1 s TRP 1018Ca 0.51 1.32 0.00 0.00 0.02 0.00 0.00 56.10 57.95 3fg1 s TRP 1018Cb 0.35 -3.56 0.00 0.00 -1.15 0.00 0.00 33.47 29.11 3fg1 s TRP 1018CO 0.21 -1.66 0.00 0.39 0.02 0.00 0.00 176.95 175.91 3fg1 n GLU 1019N 2.20 3.62 -1.93 4.98 -0.58 -1.26 -5.02 120.64 122.65 3fg1 n GLU 1019Ca 0.04 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.36 3fg1 n GLU 1019Cb 0.43 -0.99 -0.03 0.00 -0.57 0.00 0.00 31.44 30.28 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 -2.88 6.60 0.31 1.62 -1.08 -1.26 -4.90 116.67 115.08 3fg1 s ASP 1020Ca 0.00 2.50 -0.01 0.00 -0.52 0.00 0.00 52.55 54.52 3fg1 s ASP 1020Cb 0.00 -2.57 0.48 0.00 -1.46 0.00 0.00 42.92 39.37 3fg1 s ASP 1020CO 0.00 -0.88 1.97 0.11 0.52 0.00 0.00 175.17 176.89 3fg1 h LYS 1021N 8.11 1.05 -0.52 4.34 6.56 -1.99 -1.21 116.57 132.91 3fg1 h LYS 1021Ca -0.43 -0.06 -0.07 0.00 -1.06 0.00 0.00 60.65 59.03 3fg1 h LYS 1021Cb 1.20 -0.24 -0.02 0.00 -0.57 0.00 0.00 32.23 32.60 3fg1 h LYS 1021CO 0.93 0.69 0.05 -0.44 -2.06 0.00 0.00 179.45 178.62 3fg1 h ASP 1022N 1.08 0.80 -0.61 0.86 3.45 -1.99 -1.37 116.42 118.63 3fg1 h ASP 1022Ca 0.31 -0.18 -0.08 0.00 0.43 0.00 0.00 57.03 57.51 3fg1 h ASP 1022Cb -0.08 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.46 3fg1 h ASP 1022CO -0.07 0.84 0.07 0.00 -1.57 0.00 0.00 179.24 178.51 3fg1 h ALA 1023N 1.26 0.82 -0.79 3.45 0.00 -1.76 -1.03 119.26 121.20 3fg1 h ALA 1023Ca 0.16 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3fg1 h ALA 1023Cb 0.41 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3fg1 h ALA 1023CO 0.01 0.60 0.31 -0.07 0.00 0.00 0.00 179.25 180.10 3fg1 h LEU 1024N 0.94 1.09 -0.61 0.00 3.38 -0.99 -0.58 115.31 118.55 3fg1 h LEU 1024Ca 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3fg1 h LEU 1024Cb 0.47 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3fg1 h LEU 1024CO 0.02 0.97 0.35 0.44 0.09 0.00 0.00 178.44 180.31 3fg1 h ASP 1025N 1.15 0.75 -0.79 -0.43 3.32 -1.02 -1.22 116.42 118.18 3fg1 h ASP 1025Ca 0.26 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3fg1 h ASP 1025Cb 0.22 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 3fg1 h ASP 1025CO -0.02 0.62 0.52 0.00 -1.72 0.00 0.00 179.24 178.63 3fg1 h ALA 1026N 1.17 1.00 -0.31 3.45 0.00 -0.73 -1.87 119.26 121.97 3fg1 h ALA 1026Ca 0.22 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3fg1 h ALA 1026Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3fg1 h ALA 1026CO -0.04 0.40 0.20 0.82 0.00 0.00 0.00 179.25 180.63 3fg1 h ILE 1027N 1.06 1.06 -0.41 0.00 2.04 -0.89 -1.47 117.51 118.90 3fg1 h ILE 1027Ca 0.29 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 66.09 3fg1 h ILE 1027Cb -0.10 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 3fg1 h ILE 1027CO -0.07 0.07 -0.02 0.78 0.00 0.00 0.00 178.15 178.91 3fg1 h ASN 1028N 0.40 -0.21 -0.72 1.72 2.35 -0.63 -0.53 115.58 117.95 3fg1 h ASN 1028Ca 0.11 0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.90 3fg1 h ASN 1028Cb -0.03 0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 3fg1 h ASN 1028CO -0.03 -0.07 0.20 0.03 -1.65 0.00 0.00 177.43 175.91 3fg1 h ARG 1029N 0.08 1.14 -0.22 0.81 3.08 -1.21 0.33 114.38 118.40 3fg1 h ARG 1029Ca 0.20 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3fg1 h ARG 1029Cb 0.30 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3fg1 h ARG 1029CO -0.36 0.98 0.04 0.35 -1.07 0.00 0.00 179.97 179.91 3fg1 h PHE 1030N 1.08 0.38 -0.52 3.04 3.57 -0.79 -0.39 116.94 123.31 3fg1 h PHE 1030Ca 0.23 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3fg1 h PHE 1030Cb 0.34 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3fg1 h PHE 1030CO 0.03 0.49 0.30 1.96 -2.23 0.00 0.00 178.31 178.86 3fg1 h GLN 1031N 0.16 0.72 -0.83 1.11 4.20 -0.87 -0.68 115.11 118.92 3fg1 h GLN 1031Ca 0.07 -0.08 0.07 0.00 0.06 0.00 0.00 58.65 58.76 3fg1 h GLN 1031Cb 0.32 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 3fg1 h GLN 1031CO 0.00 0.54 0.50 -0.44 -0.67 0.00 0.00 178.83 178.77 3fg1 h ASP 1032N 0.70 0.78 -0.47 1.46 3.32 -0.81 -0.75 116.42 120.65 3fg1 h ASP 1032Ca 0.19 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 3fg1 h ASP 1032Cb 0.02 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3fg1 h ASP 1032CO -0.03 0.49 0.06 0.50 -1.72 0.00 0.00 179.24 178.54 3fg1 h LYS 1033N 0.91 0.79 -0.81 3.56 1.63 -0.61 -2.33 116.57 119.70 3fg1 h LYS 1033Ca 0.37 -0.22 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 3fg1 h LYS 1033Cb 0.20 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 3fg1 h LYS 1033CO -0.18 0.81 0.50 -0.07 -3.45 0.00 0.00 179.45 177.06 3fg1 h LEU 1034N 0.66 0.96 -0.94 5.20 3.38 -0.79 -0.37 115.31 123.41 3fg1 h LEU 1034Ca 0.14 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3fg1 h LEU 1034Cb 0.41 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3fg1 h LEU 1034CO 0.01 0.73 0.28 -0.08 0.09 0.00 0.00 178.44 179.47 3fg1 h GLU 1035N 1.11 1.05 -0.37 1.13 4.81 -0.91 0.93 114.58 122.34 3fg1 h GLU 1035Ca 0.29 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3fg1 h GLU 1035Cb -0.07 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 3fg1 h GLU 1035CO -0.06 0.86 0.14 -0.44 -0.73 0.00 0.00 179.01 178.78 3fg1 h ASP 1036N 1.03 0.51 -0.55 1.04 3.32 -0.86 -1.96 116.42 118.96 3fg1 h ASP 1036Ca 0.24 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3fg1 h ASP 1036Cb 0.20 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3fg1 h ASP 1036CO -0.02 0.55 0.32 0.40 -1.72 0.00 0.00 179.24 178.77 3fg1 h ILE 1037N 0.45 1.17 -0.12 0.35 2.04 -0.74 -0.97 117.51 119.69 3fg1 h ILE 1037Ca 0.12 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.62 3fg1 h ILE 1037Cb 0.20 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3fg1 h ILE 1037CO -0.01 0.18 -0.12 0.28 0.00 0.00 0.00 178.15 178.48 3fg1 h SER 1038N 0.74 -0.37 -0.25 1.72 0.02 -0.67 -1.20 113.55 113.54 3fg1 h SER 1038Ca 0.20 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.24 3fg1 h SER 1038Cb 0.01 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3fg1 h SER 1038CO -0.03 -0.16 0.08 0.11 -1.14 0.00 0.00 176.83 175.69 3fg1 h LYS 1039N -0.14 0.19 -0.89 3.45 1.57 -1.13 -1.60 116.57 118.01 3fg1 h LYS 1039Ca 0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3fg1 h LYS 1039Cb 0.26 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 3fg1 h LYS 1039CO -0.21 0.12 0.55 0.87 -0.57 0.00 0.00 179.45 180.21 3fg1 h LYS 1040N 0.19 1.21 -0.63 3.15 1.57 -0.92 -1.09 116.57 120.06 3fg1 h LYS 1040Ca 0.11 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3fg1 h LYS 1040Cb 0.08 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3fg1 h LYS 1040CO -0.12 0.84 0.16 0.82 -0.57 0.00 0.00 179.45 180.59 3fg1 h ILE 1041N 1.23 1.25 -0.54 1.86 2.04 -1.04 -1.23 117.51 121.08 3fg1 h ILE 1041Ca 0.32 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 3fg1 h ILE 1041Cb -0.07 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3fg1 h ILE 1041CO -0.06 0.34 0.12 0.11 0.00 0.00 0.00 178.15 178.66 3fg1 h LYS 1042N 0.91 0.88 -0.18 2.37 1.57 -0.82 0.23 116.57 121.53 3fg1 h LYS 1042Ca 0.20 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3fg1 h LYS 1042Cb 0.34 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3fg1 h LYS 1042CO -0.00 0.84 0.03 1.96 -0.57 0.00 0.00 179.45 181.71 3fg1 h GLN 1043N 0.77 0.10 -0.49 3.15 4.20 -1.14 -1.66 115.11 120.04 3fg1 h GLN 1043Ca 0.17 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.93 3fg1 h GLN 1043Cb 0.36 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 3fg1 h GLN 1043CO 0.00 0.07 0.19 -0.09 -0.67 0.00 0.00 178.83 178.33 3fg1 h ARG 1044N 0.11 0.37 -0.16 1.46 1.12 -1.01 -2.91 114.38 113.36 3fg1 h ARG 1044Ca 0.08 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.89 3fg1 h ARG 1044Cb 0.08 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.94 3fg1 h ARG 1044CO -0.11 0.25 -0.08 -0.91 -3.11 0.00 0.00 179.97 176.00 3fg1 h ASN 1045N 0.38 0.22 0.56 -3.80 2.35 -0.03 -2.65 115.58 112.61 3fg1 h ASN 1045Ca 0.23 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3fg1 h ASN 1045Cb 0.22 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3fg1 h ASN 1045CO -0.22 0.34 0.00 -1.84 -1.65 0.00 0.00 177.43 174.07 3fg1 n GLU 1046N -4.31 0.02 -0.31 0.81 0.28 -0.67 -1.91 120.64 114.54 3fg1 n GLU 1046Ca -0.01 0.25 0.08 0.00 -0.16 0.00 0.00 57.16 57.32 3fg1 n GLU 1046Cb 0.23 -1.53 0.24 0.00 1.43 0.00 0.00 31.44 31.81 3fg1 n GLU 1046CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3fg1 n ASN 1047N -1.57 3.56 -4.66 -1.84 3.02 -1.00 -5.00 115.26 107.78 3fg1 n ASN 1047Ca 0.04 -2.13 -0.31 0.00 -0.03 0.00 0.00 54.58 52.14 3fg1 n ASN 1047Cb 0.19 -0.38 -0.09 0.00 -0.61 0.00 0.00 39.78 38.89 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 -1.25 3.38 0.25 3.41 1.43 -0.80 -5.02 118.68 120.09 3fg1 s LEU 1048Ca 0.36 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 3fg1 s LEU 1048Cb 0.21 -2.06 0.32 0.00 0.03 0.00 0.00 46.19 44.68 3fg1 s LEU 1048CO 0.22 0.21 1.74 -0.08 0.23 0.00 0.00 176.35 178.67 3fg1 h GLU 1049N 3.81 0.77 -3.56 1.70 4.81 -1.94 -3.37 114.58 116.80 3fg1 h GLU 1049Ca -0.48 -0.22 -0.58 0.00 -0.13 0.00 0.00 59.36 57.94 3fg1 h GLU 1049Cb 1.17 -0.08 -0.40 0.00 0.63 0.00 0.00 28.75 30.07 3fg1 h GLU 1049CO 0.57 0.81 -0.76 0.08 -0.73 0.00 0.00 179.01 178.99 3fg1 s VAL 1050N -4.90 0.92 0.27 0.32 1.01 -1.26 -5.12 120.40 111.65 3fg1 s VAL 1050Ca -0.09 -1.46 -0.28 0.00 0.00 0.00 0.00 61.98 60.15 3fg1 s VAL 1050Cb 0.14 -1.70 -0.14 0.00 0.00 0.00 0.00 36.38 34.68 3fg1 s VAL 1050CO 0.81 -0.68 0.99 -2.65 0.00 0.00 0.00 175.10 173.57 3fg1 n PRO 1051N 4.79 1.26 -3.56 2.72 -0.02 -1.26 -4.98 135.00 133.95 3fg1 n PRO 1051Ca -0.01 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 3fg1 n PRO 1051Cb 0.42 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.98 3.29 -0.39 6.00 5.04 -1.26 -4.95 117.35 124.09 3fg1 s TYR 1052Ca 0.60 -1.24 0.07 0.00 -2.44 0.00 0.00 57.07 54.06 3fg1 s TYR 1052Cb -0.73 -2.82 -0.06 0.00 0.35 0.00 0.00 41.96 38.71 3fg1 s TYR 1052CO 0.59 -0.77 0.34 0.44 -1.34 0.00 0.00 175.55 174.81 3fg1 n ILE 1053N 4.99 0.00 0.30 3.14 -5.35 -1.26 -4.65 119.36 116.53 3fg1 n ILE 1053Ca -0.11 -0.36 0.18 0.00 -0.27 0.00 0.00 62.75 62.19 3fg1 n ILE 1053Cb 0.44 1.02 0.89 0.00 -1.74 0.00 0.00 39.64 40.25 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 0.18 0.00 -0.37 4.28 0.99 -1.94 -2.32 116.97 117.79 3fg1 h TYR 1054Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3fg1 h TYR 1054Cb 0.18 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.91 3fg1 h TYR 1054CO 0.00 0.03 0.00 1.28 -0.00 0.00 0.00 178.16 179.47 3fg1 n LEU 1055N -3.23 4.30 -4.71 3.88 4.77 -1.26 -4.52 117.00 116.23 3fg1 n LEU 1055Ca -0.01 -2.86 -0.42 0.00 -0.03 0.00 0.00 56.01 52.68 3fg1 n LEU 1055Cb 0.20 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 3fg1 n LEU 1055CO 0.25 0.68 1.21 -0.76 -1.33 0.00 0.00 177.39 177.45 3fg1 s LEU 1056N -2.57 4.36 0.42 2.23 1.43 -0.87 -4.91 118.68 118.77 3fg1 s LEU 1056Ca 0.44 2.46 0.21 0.00 -1.03 0.00 0.00 54.13 56.21 3fg1 s LEU 1056Cb 0.34 -3.58 1.17 0.00 0.03 0.00 0.00 46.19 44.15 3fg1 s LEU 1056CO 0.12 -0.79 1.78 -0.65 0.23 0.00 0.00 176.35 177.04 3fg1 h PRO 1057N 7.37 0.32 0.00 1.29 0.11 -1.91 0.12 132.00 139.29 3fg1 h PRO 1057Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fg1 h PRO 1057Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3fg1 h PRO 1057CO 0.91 0.21 0.00 -0.85 -0.21 0.00 0.00 178.00 178.06 3fg1 n GLU 1058N -4.56 0.09 -0.00 1.05 0.28 -1.26 -2.58 120.64 113.66 3fg1 n GLU 1058Ca 0.25 0.30 0.04 0.00 -0.16 0.00 0.00 57.16 57.60 3fg1 n GLU 1058Cb 0.92 -1.66 0.04 0.00 1.43 0.00 0.00 31.44 32.17 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 -1.82 0.30 -3.64 3.44 1.74 0.38 -4.90 116.66 112.16 3fg1 n ARG 1059Ca 0.03 -1.05 -0.39 0.00 -0.77 0.00 0.00 57.85 55.66 3fg1 n ARG 1059Cb 0.22 -1.17 -0.11 0.00 -1.02 0.00 0.00 32.46 30.37 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 -0.75 4.46 0.55 0.55 1.01 -1.04 -4.95 121.20 121.02 3fg1 s ILE 1060Ca 0.11 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.80 3fg1 s ILE 1060Cb 0.08 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 3fg1 s ILE 1060CO 0.11 -0.12 1.27 -2.84 0.00 0.00 0.00 174.94 173.36 3fg1 s PRO 1061N 1.55 3.17 0.46 2.79 0.02 -1.26 0.32 135.00 142.06 3fg1 s PRO 1061Ca 0.02 2.01 0.23 0.00 0.02 0.00 0.00 61.00 63.29 3fg1 s PRO 1061Cb -0.18 -2.16 1.23 0.00 0.02 0.00 0.00 34.50 33.40 3fg1 s PRO 1061CO 0.06 -1.10 1.86 -0.91 -0.33 0.00 0.00 177.00 176.58 3fg1 h ASN 1062N 1.35 0.27 -4.23 2.53 2.35 -1.41 -3.40 115.58 113.03 3fg1 h ASN 1062Ca -0.50 0.03 -0.40 0.00 -0.55 0.00 0.00 56.30 54.87 3fg1 h ASN 1062Cb 1.29 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.56 3fg1 h ASN 1062CO 0.57 0.09 -0.34 0.61 -1.65 0.00 0.00 177.43 176.71 3fg1 n GLY 1063N -1.58 3.45 3.22 2.83 0.00 -1.26 -3.73 105.19 108.12 3fg1 n GLY 1063Ca 0.20 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.69 4.39 0.00 2.61 2.01 -1.07 -4.65 115.64 116.25 3fg1 s THR 1064Ca 0.16 -2.07 0.00 0.00 0.31 0.00 0.00 61.69 60.09 3fg1 s THR 1064Cb 0.01 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.66 3fg1 s THR 1064CO 0.11 -0.84 0.57 0.00 -0.69 0.00 0.00 174.62 173.78 3fg1 n ALA 1065N 4.56 1.68 -1.66 7.40 0.00 -1.26 -1.46 120.51 129.76 3fg1 n ALA 1065Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.85 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