#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckr s GLU 384 N 0.00 3.21 -0.20 4.33 2.56 -1.26 -5.06 118.70 122.28 1ckr s GLU 384 Ca 0.00 0.26 -0.21 0.00 0.00 0.00 0.00 54.97 55.02 1ckr s GLU 384 Cb 0.00 -2.23 -0.19 0.00 2.00 0.00 0.00 34.13 33.71 1ckr s GLU 384 CO 0.00 -0.58 0.23 -0.91 -0.56 0.00 0.00 175.26 173.44 1ckr h ASN 385 N -0.16 0.01 -0.97 -1.70 4.21 -2.10 -3.43 115.58 111.44 1ckr h ASN 385 Ca -0.46 -0.53 -0.74 0.00 1.21 0.00 0.00 56.30 55.78 1ckr h ASN 385 Cb 1.23 -0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 38.31 1ckr h ASN 385 CO 0.62 1.49 2.35 1.33 -1.29 0.00 0.00 177.43 181.93 1ckr n VAL 386 N -4.41 4.06 -3.73 2.81 0.24 -1.26 -4.90 118.33 111.15 1ckr n VAL 386 Ca -0.32 -3.98 -0.12 0.00 -2.04 0.00 0.00 64.34 57.88 1ckr n VAL 386 Cb 0.69 -2.44 -0.10 0.00 -1.47 0.00 0.00 33.84 30.52 1ckr n VAL 386 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ckr s GLN 387 N 1.35 0.43 -0.86 7.34 0.00 -1.26 -5.12 119.66 121.54 1ckr s GLN 387 Ca 0.42 0.62 -0.25 0.00 -0.00 0.00 0.00 55.36 56.15 1ckr s GLN 387 Cb 0.10 0.14 0.04 0.00 0.00 0.00 0.00 33.01 33.30 1ckr s GLN 387 CO -0.02 -0.09 1.35 -0.51 0.00 0.00 0.00 175.29 176.01 1ckr s ASP 388 N 0.59 6.31 -1.30 12.60 1.01 -1.26 -4.95 116.67 129.67 1ckr s ASP 388 Ca -0.03 -0.89 -0.15 0.00 0.71 0.00 0.00 52.55 52.18 1ckr s ASP 388 Cb -0.05 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.43 1ckr s ASP 388 CO -0.04 -1.69 1.73 0.18 0.21 0.00 0.00 175.17 175.57 1ckr n LEU 389 N 9.12 5.44 -4.48 1.23 4.77 -1.26 -4.94 117.00 126.88 1ckr n LEU 389 Ca 0.16 -4.17 -0.44 0.00 -0.03 0.00 0.00 56.01 51.53 1ckr n LEU 389 Cb 0.50 -1.68 -0.01 0.00 -2.33 0.00 0.00 43.42 39.91 1ckr n LEU 389 CO 0.69 0.56 1.39 -0.76 -1.33 0.00 0.00 177.39 177.94 1ckr s LEU 390 N 2.79 4.82 -1.00 2.23 1.43 -1.26 -4.96 118.68 122.73 1ckr s LEU 390 Ca 0.49 -2.65 -0.22 0.00 -1.03 0.00 0.00 54.13 50.72 1ckr s LEU 390 Cb 0.04 -2.43 0.08 0.00 0.03 0.00 0.00 46.19 43.90 1ckr s LEU 390 CO 0.03 -0.90 1.35 -0.22 0.23 0.00 0.00 176.35 176.84 1ckr s LEU 391 N 2.32 4.00 -0.01 1.79 2.96 -1.26 -4.98 118.68 123.50 1ckr s LEU 391 Ca 0.42 -1.66 0.01 0.00 -0.22 0.00 0.00 54.13 52.68 1ckr s LEU 391 Cb -0.02 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.16 1ckr s LEU 391 CO -0.01 -1.36 -0.04 -0.76 -1.32 0.00 0.00 176.35 172.85 1ckr s LEU 392 N 4.23 1.83 -1.29 -0.68 1.43 -1.26 -5.08 118.68 117.86 1ckr s LEU 392 Ca 0.42 -0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 1ckr s LEU 392 Cb -0.01 -0.27 0.14 0.00 0.03 0.00 0.00 46.19 46.07 1ckr s LEU 392 CO -0.09 0.03 1.77 0.47 0.23 0.00 0.00 176.35 178.75 1ckr n ASP 393 N 3.23 4.92 -4.86 2.29 8.00 -1.26 -5.00 116.55 123.87 1ckr n ASP 393 Ca -0.16 -3.00 -0.37 0.00 0.71 0.00 0.00 54.79 51.97 1ckr n ASP 393 Cb 0.56 -1.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.03 1ckr n ASP 393 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ckr s VAL 394 N 1.73 5.37 0.02 2.53 -7.23 -1.26 -1.83 120.40 119.74 1ckr s VAL 394 Ca 0.44 0.39 -0.16 0.00 -1.81 0.00 0.00 61.98 60.83 1ckr s VAL 394 Cb 0.06 -3.49 -0.06 0.00 0.56 0.00 0.00 36.38 33.45 1ckr s VAL 394 CO -0.00 0.60 0.46 0.28 -0.31 0.00 0.00 175.10 176.13 1ckr s THR 395 N -0.98 4.93 0.49 5.32 -1.32 -0.60 -4.84 115.64 118.65 1ckr s THR 395 Ca 0.17 0.96 0.21 0.00 -1.21 0.00 0.00 61.69 61.83 1ckr s THR 395 Cb -0.13 -3.77 0.26 0.00 -1.51 0.00 0.00 72.50 67.35 1ckr s THR 395 CO 0.06 0.57 2.10 1.55 -2.21 0.00 0.00 174.62 176.70 1ckr h PRO 396 N 4.66 0.00 -6.39 7.08 0.13 -1.94 -2.54 132.00 133.00 1ckr h PRO 396 Ca -0.51 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.00 1ckr h PRO 396 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1ckr h PRO 396 CO 0.62 0.09 -0.74 -1.17 -0.23 0.00 0.00 178.00 176.57 1ckr s LEU 397 N -8.21 2.79 -0.48 1.56 2.96 -1.26 -3.17 118.68 112.88 1ckr s LEU 397 Ca -0.04 -0.76 -0.24 0.00 -0.22 0.00 0.00 54.13 52.87 1ckr s LEU 397 Cb 0.15 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.45 1ckr s LEU 397 CO 0.63 0.08 0.86 -0.94 -1.32 0.00 0.00 176.35 175.65 1ckr s SER 398 N -3.08 6.42 -0.17 3.68 1.04 -1.18 -4.59 113.70 115.82 1ckr s SER 398 Ca 0.26 -0.11 -0.20 0.00 0.48 0.00 0.00 55.95 56.38 1ckr s SER 398 Cb -0.07 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 1ckr s SER 398 CO 0.15 -1.02 0.60 -0.76 0.98 0.00 0.00 173.24 173.19 1ckr s LEU 399 N 3.55 4.18 0.00 2.42 1.43 -1.26 -3.69 118.68 125.30 1ckr s LEU 399 Ca 0.32 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 1ckr s LEU 399 Cb -0.12 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1ckr s LEU 399 CO 0.23 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1ckr n GLY 400 N 3.67 5.76 3.16 -3.19 0.00 -1.04 -4.36 105.19 109.19 1ckr n GLY 400 Ca -0.03 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 1ckr n GLY 400 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ckr s ILE 401 N -0.45 1.39 -0.41 -0.61 -4.36 -1.15 -2.18 121.20 113.42 1ckr s ILE 401 Ca 0.00 -0.74 -0.29 0.00 -0.26 0.00 0.00 60.65 59.36 1ckr s ILE 401 Cb 0.00 -1.17 0.02 0.00 1.25 0.00 0.00 42.46 42.57 1ckr s ILE 401 CO 0.00 0.40 1.11 -0.70 0.24 0.00 0.00 174.94 175.99 1ckr s GLU 402 N -0.30 3.86 0.00 0.37 2.12 0.94 -3.09 118.70 122.59 1ckr s GLU 402 Ca 0.04 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.14 1ckr s GLU 402 Cb -0.08 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.47 1ckr s GLU 402 CO -0.00 -1.19 0.00 0.25 -0.54 0.00 0.00 175.26 173.78 1ckr n THR 403 N 6.46 0.00 0.04 -1.70 -2.24 -1.26 -2.76 114.28 112.82 1ckr n THR 403 Ca 0.12 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.77 1ckr n THR 403 Cb 0.48 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.63 1ckr n THR 403 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ckr h ALA 404 N -0.19 -0.86 -0.69 6.98 0.00 -1.68 -1.65 119.26 121.18 1ckr h ALA 404 Ca 0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.50 1ckr h ALA 404 Cb 0.00 0.87 -0.20 0.00 0.00 0.00 0.00 17.79 18.46 1ckr h ALA 404 CO 0.00 -0.99 0.43 0.41 0.00 0.00 0.00 179.25 179.10 1ckr n GLY 405 N -1.37 3.69 3.31 0.00 0.00 -1.26 -4.87 105.19 104.68 1ckr n GLY 405 Ca -0.06 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 1ckr n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ckr n GLY 406 N -0.59 -0.34 0.00 -0.02 0.00 -0.62 -4.94 105.19 98.68 1ckr n GLY 406 Ca 0.41 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1ckr n GLY 406 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ckr n VAL 407 N -4.66 0.00 -3.50 1.61 0.24 -1.26 -4.32 118.33 106.44 1ckr n VAL 407 Ca 0.01 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 1ckr n VAL 407 Cb 0.55 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.87 1ckr n VAL 407 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1ckr s MET 408 N 2.51 1.08 -0.04 7.34 1.75 -1.18 -3.31 119.30 127.46 1ckr s MET 408 Ca 0.00 0.11 -0.00 0.00 -1.25 0.00 0.00 55.69 54.55 1ckr s MET 408 Cb 0.00 0.51 0.03 0.00 2.84 0.00 0.00 34.83 38.20 1ckr s MET 408 CO 0.00 -0.37 0.02 0.99 -0.65 0.00 0.00 175.02 175.01 1ckr s THR 409 N -1.68 0.10 -0.32 10.11 2.01 -1.18 -3.41 115.64 121.27 1ckr s THR 409 Ca -0.08 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 1ckr s THR 409 Cb -0.00 -0.25 0.06 0.00 0.01 0.00 0.00 72.50 72.32 1ckr s THR 409 CO 0.05 0.16 0.04 -0.69 -0.69 0.00 0.00 174.62 173.49 1ckr s VAL 410 N 1.39 3.00 -1.16 3.82 1.01 -1.26 -2.95 120.40 124.25 1ckr s VAL 410 Ca -0.05 -1.55 0.26 0.00 0.00 0.00 0.00 61.98 60.65 1ckr s VAL 410 Cb -0.13 -2.81 0.11 0.00 0.00 0.00 0.00 36.38 33.56 1ckr s VAL 410 CO -0.03 -0.23 1.54 0.00 0.00 0.00 0.00 175.10 176.39 1ckr n LEU 411 N 4.60 0.51 0.00 3.92 -0.00 -1.26 -4.86 117.00 119.90 1ckr n LEU 411 Ca -0.10 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1ckr n LEU 411 Cb 0.43 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 1ckr n LEU 411 CO 0.27 0.12 0.00 -0.38 -0.00 0.00 0.00 177.39 177.40 1ckr n ILE 412 N -1.33 0.00 -3.69 1.47 2.08 -1.26 -4.98 119.36 111.65 1ckr n ILE 412 Ca 0.07 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.30 1ckr n ILE 412 Cb 0.33 -0.95 -0.02 0.00 -0.75 0.00 0.00 39.64 38.25 1ckr n ILE 412 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1ckr s LYS 413 N 2.41 1.47 0.27 0.38 0.00 -1.26 -4.92 119.74 118.08 1ckr s LYS 413 Ca 0.00 -0.73 -0.27 0.00 0.00 0.00 0.00 55.97 54.96 1ckr s LYS 413 Cb 0.00 0.55 -0.09 0.00 0.00 0.00 0.00 37.83 38.29 1ckr s LYS 413 CO 0.00 -0.66 0.91 0.50 0.00 0.00 0.00 175.35 176.10 1ckr s ARG 414 N -3.70 4.67 -1.24 1.78 3.52 -1.26 -3.08 118.95 119.64 1ckr s ARG 414 Ca 0.08 1.35 -0.06 0.00 -0.13 0.00 0.00 55.73 56.97 1ckr s ARG 414 Cb -0.03 -3.05 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1ckr s ARG 414 CO -0.01 0.42 0.73 0.09 -0.81 0.00 0.00 175.30 175.72 1ckr n ASN 415 N 1.06 -2.80 -4.68 -2.12 3.02 -1.03 -4.97 115.26 103.74 1ckr n ASN 415 Ca -0.01 -0.87 -0.40 0.00 -0.03 0.00 0.00 54.58 53.27 1ckr n ASN 415 Cb 0.49 -3.98 -0.05 0.00 -0.61 0.00 0.00 39.78 35.63 1ckr n ASN 415 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1ckr s THR 416 N -3.60 4.98 -0.91 3.41 -1.32 -0.99 -4.81 115.64 112.40 1ckr s THR 416 Ca 0.17 1.42 -0.24 0.00 -1.21 0.00 0.00 61.69 61.83 1ckr s THR 416 Cb -0.05 -4.04 -0.05 0.00 -1.51 0.00 0.00 72.50 66.84 1ckr s THR 416 CO 0.82 0.12 1.96 -0.89 -2.21 0.00 0.00 174.62 174.43 1ckr s THR 417 N 1.65 3.44 0.43 5.08 2.01 -1.26 -1.55 115.64 125.43 1ckr s THR 417 Ca 0.35 -0.39 -0.09 0.00 0.31 0.00 0.00 61.69 61.87 1ckr s THR 417 Cb -0.17 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.29 1ckr s THR 417 CO 0.13 -0.91 0.78 0.27 -0.69 0.00 0.00 174.62 174.20 1ckr s ILE 418 N 10.34 4.81 0.53 1.82 -4.36 -0.76 -4.55 121.20 129.03 1ckr s ILE 418 Ca 0.71 0.53 -0.21 0.00 -0.26 0.00 0.00 60.65 61.43 1ckr s ILE 418 Cb -0.07 -3.77 -0.06 0.00 1.25 0.00 0.00 42.46 39.82 1ckr s ILE 418 CO 0.00 -0.61 1.19 -2.16 0.24 0.00 0.00 174.94 173.60 1ckr s PRO 419 N -4.08 3.35 -0.18 0.37 0.04 -1.26 -4.59 135.00 128.65 1ckr s PRO 419 Ca 0.50 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 1ckr s PRO 419 Cb -0.10 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.35 1ckr s PRO 419 CO 0.35 -0.89 0.46 -0.08 0.04 0.00 0.00 177.00 176.87 1ckr s THR 420 N -1.59 -0.02 -0.54 1.26 -1.32 -0.83 -4.96 115.64 107.64 1ckr s THR 420 Ca 0.71 0.06 -0.07 0.00 -1.21 0.00 0.00 61.69 61.18 1ckr s THR 420 Cb -0.29 -0.67 0.14 0.00 -1.51 0.00 0.00 72.50 70.17 1ckr s THR 420 CO 0.33 0.03 0.40 -0.75 -2.21 0.00 0.00 174.62 172.42 1ckr s LYS 421 N 1.19 2.58 -0.12 7.08 2.20 -1.25 -0.77 119.74 130.65 1ckr s LYS 421 Ca -0.08 -2.04 -0.06 0.00 -0.36 0.00 0.00 55.97 53.43 1ckr s LYS 421 Cb -0.07 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 1ckr s LYS 421 CO -0.11 -1.19 0.11 -0.65 -0.36 0.00 0.00 175.35 173.16 1ckr s GLN 422 N 0.84 3.46 -0.34 4.03 1.11 -0.53 -4.93 119.66 123.30 1ckr s GLN 422 Ca 0.10 -0.19 0.01 0.00 0.01 0.00 0.00 55.36 55.29 1ckr s GLN 422 Cb -0.22 -3.15 0.09 0.00 -1.01 0.00 0.00 33.01 28.72 1ckr s GLN 422 CO -0.03 0.71 0.07 0.95 0.01 0.00 0.00 175.29 177.00 1ckr s THR 423 N -0.83 2.70 -0.31 -0.19 -4.23 -1.26 -0.20 115.64 111.32 1ckr s THR 423 Ca 0.14 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.54 1ckr s THR 423 Cb -0.12 -2.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 1ckr s THR 423 CO 0.03 -0.47 0.18 -1.58 -0.54 0.00 0.00 174.62 172.24 1ckr s GLN 424 N 1.06 3.56 -0.44 3.99 2.00 -1.06 -4.98 119.66 123.79 1ckr s GLN 424 Ca 0.05 -0.58 -0.25 0.00 -2.00 0.00 0.00 55.36 52.57 1ckr s GLN 424 Cb -0.20 -3.63 0.02 0.00 0.80 0.00 0.00 33.01 30.00 1ckr s GLN 424 CO -0.05 -0.35 0.92 0.99 -0.50 0.00 0.00 175.29 176.30 1ckr s THR 425 N 1.68 4.51 0.17 -0.34 2.01 -1.26 -0.99 115.64 121.41 1ckr s THR 425 Ca 0.06 0.84 -0.04 0.00 0.31 0.00 0.00 61.69 62.86 1ckr s THR 425 Cb -0.17 -4.40 -0.05 0.00 0.01 0.00 0.00 72.50 67.89 1ckr s THR 425 CO 0.08 -0.75 0.40 -0.36 -0.69 0.00 0.00 174.62 173.30 1ckr s PHE 426 N 3.66 3.47 0.00 4.92 0.40 0.89 -4.96 117.98 126.36 1ckr s PHE 426 Ca 0.37 0.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.24 1ckr s PHE 426 Cb -0.11 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.43 1ckr s PHE 426 CO 0.24 0.40 0.00 -2.37 0.70 0.00 0.00 175.22 174.19 1ckr n THR 427 N -0.11 0.00 -4.28 0.64 5.66 0.11 -0.27 114.28 116.03 1ckr n THR 427 Ca -0.03 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.82 1ckr n THR 427 Cb 0.52 -0.42 -0.10 0.00 -1.55 0.00 0.00 70.33 68.78 1ckr n THR 427 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ckr s THR 428 N 2.31 0.67 -0.18 1.09 -4.23 -0.86 -4.22 115.64 110.23 1ckr s THR 428 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.58 1ckr s THR 428 Cb 0.00 -2.37 -0.22 0.00 1.34 0.00 0.00 72.50 71.25 1ckr s THR 428 CO 0.00 -0.25 0.12 0.00 -0.54 0.00 0.00 174.62 173.95 1ckr n TYR 429 N -0.36 0.44 -2.96 3.99 4.19 -1.26 -3.02 117.16 118.17 1ckr n TYR 429 Ca -0.04 0.12 -0.29 0.00 3.31 0.00 0.00 57.90 61.00 1ckr n TYR 429 Cb 0.65 -1.07 -0.03 0.00 0.49 0.00 0.00 39.34 39.38 1ckr n TYR 429 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 1ckr s SER 430 N -6.29 6.46 0.65 2.98 0.01 -1.26 -4.70 113.70 111.54 1ckr s SER 430 Ca -0.21 0.97 0.27 0.00 1.31 0.00 0.00 55.95 58.30 1ckr s SER 430 Cb 0.08 -2.26 1.46 0.00 0.21 0.00 0.00 66.02 65.51 1ckr s SER 430 CO 0.74 -0.37 1.84 0.44 0.41 0.00 0.00 173.24 176.29 1ckr h ASP 431 N 1.20 0.00 -1.76 2.44 3.32 -1.90 -3.39 116.42 116.33 1ckr h ASP 431 Ca -0.47 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.53 1ckr h ASP 431 Cb 1.19 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.48 1ckr h ASP 431 CO 0.64 0.00 -0.36 0.20 -1.72 0.00 0.00 179.24 178.00 1ckr s ASN 432 N -4.51 -0.48 -0.44 6.45 0.01 -1.26 -3.66 114.94 111.05 1ckr s ASN 432 Ca -0.03 0.70 -0.16 0.00 -0.71 0.00 0.00 52.86 52.66 1ckr s ASN 432 Cb 0.10 1.60 0.02 0.00 0.41 0.00 0.00 41.25 43.37 1ckr s ASN 432 CO 0.32 -0.27 0.61 1.67 -1.51 0.00 0.00 177.10 177.92 1ckr n GLN 433 N 5.40 -2.32 0.00 -0.60 7.27 -1.26 -4.93 117.38 120.93 1ckr n GLN 433 Ca -0.05 2.07 0.00 0.00 0.07 0.00 0.00 57.00 59.09 1ckr n GLN 433 Cb 0.50 -5.52 0.00 0.00 2.41 0.00 0.00 30.24 27.64 1ckr n GLN 433 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1ckr n PRO 434 N -0.36 0.02 0.00 3.69 -0.02 -1.26 -4.90 135.00 132.18 1ckr n PRO 434 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1ckr n PRO 434 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 1ckr n PRO 434 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ckr n GLY 435 N 2.26 0.58 3.65 -1.23 0.00 -1.26 -4.62 105.19 104.57 1ckr n GLY 435 Ca 0.00 0.59 -0.41 0.00 0.00 0.00 0.00 46.02 46.20 1ckr n GLY 435 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ckr s VAL 436 N 0.00 4.94 -0.55 1.61 -7.23 0.24 -4.88 120.40 114.52 1ckr s VAL 436 Ca 0.00 1.35 -0.19 0.00 -1.81 0.00 0.00 61.98 61.33 1ckr s VAL 436 Cb 0.00 -4.02 0.08 0.00 0.56 0.00 0.00 36.38 32.99 1ckr s VAL 436 CO 0.00 0.02 0.69 -0.22 -0.31 0.00 0.00 175.10 175.29 1ckr s LEU 437 N 2.36 5.06 -0.14 1.32 1.98 -1.26 -0.75 118.68 127.24 1ckr s LEU 437 Ca 0.31 -1.10 -0.07 0.00 -2.89 0.00 0.00 54.13 50.38 1ckr s LEU 437 Cb -0.16 -2.40 -0.04 0.00 0.66 0.00 0.00 46.19 44.25 1ckr s LEU 437 CO 0.09 -1.04 0.10 -0.63 -1.89 0.00 0.00 176.35 172.99 1ckr s ILE 438 N 2.81 5.16 0.01 6.68 -1.09 0.20 -4.93 121.20 130.05 1ckr s ILE 438 Ca 0.15 0.09 0.06 0.00 -2.23 0.00 0.00 60.65 58.72 1ckr s ILE 438 Cb -0.21 -3.27 -0.02 0.00 -1.58 0.00 0.00 42.46 37.38 1ckr s ILE 438 CO 0.10 0.56 -0.20 -1.10 -1.23 0.00 0.00 174.94 173.07 1ckr s GLN 439 N -0.52 1.49 -0.14 2.79 -0.21 -1.11 -0.88 119.66 121.08 1ckr s GLN 439 Ca 0.11 -0.79 -0.08 0.00 0.02 0.00 0.00 55.36 54.63 1ckr s GLN 439 Cb -0.12 -1.50 -0.04 0.00 1.00 0.00 0.00 33.01 32.35 1ckr s GLN 439 CO 0.02 0.40 0.12 0.08 -2.12 0.00 0.00 175.29 173.80 1ckr s VAL 440 N -0.60 5.37 -0.21 1.09 1.01 0.51 -0.04 120.40 127.53 1ckr s VAL 440 Ca 0.07 0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 1ckr s VAL 440 Cb -0.08 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1ckr s VAL 440 CO 0.00 0.56 -0.14 -0.31 0.00 0.00 0.00 175.10 175.21 1ckr s TYR 441 N -0.55 2.92 -0.80 5.22 1.51 -0.93 -2.65 117.35 122.07 1ckr s TYR 441 Ca 0.12 -1.59 -0.18 0.00 -1.01 0.00 0.00 57.07 54.41 1ckr s TYR 441 Cb -0.12 -1.98 0.15 0.00 -0.11 0.00 0.00 41.96 39.90 1ckr s TYR 441 CO 0.02 -0.76 0.91 -2.00 -1.11 0.00 0.00 175.55 172.61 1ckr s GLU 442 N 1.31 3.44 0.00 -0.62 2.12 -1.08 -2.50 118.70 121.37 1ckr s GLU 442 Ca 0.03 -1.83 0.00 0.00 0.36 0.00 0.00 54.97 53.53 1ckr s GLU 442 Cb -0.15 -4.58 0.00 0.00 0.26 0.00 0.00 34.13 29.66 1ckr s GLU 442 CO -0.09 -1.57 0.00 0.41 -0.54 0.00 0.00 175.26 173.47 1ckr n GLY 443 N 4.98 0.47 0.00 -1.50 0.00 -1.24 -1.10 105.19 106.80 1ckr n GLY 443 Ca 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1ckr n GLY 443 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ckr n GLU 444 N 2.69 0.00 0.00 1.61 1.02 -1.26 -2.84 120.64 121.86 1ckr n GLU 444 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ckr n GLU 444 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ckr n GLU 444 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ckr n ARG 445 N 0.00 0.00 0.00 3.49 1.74 -1.26 -4.39 116.66 116.23 1ckr n ARG 445 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ckr n ARG 445 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ckr n ARG 445 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ckr n ALA 446 N 0.00 0.00 0.00 7.54 0.00 -1.26 -4.49 120.51 122.30 1ckr n ALA 446 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ckr n ALA 446 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ckr n ALA 446 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ckr n MET 447 N 0.00 0.00 0.00 0.00 2.81 -1.26 -4.88 117.12 113.79 1ckr n MET 447 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1ckr n MET 447 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1ckr n MET 447 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ckr n THR 448 N 0.00 0.00 0.00 2.03 -2.24 -1.26 -4.71 114.28 108.10 1ckr n THR 448 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ckr n THR 448 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ckr n THR 448 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ckr n LYS 449 N 0.00 0.00 -2.96 -0.78 0.00 -1.26 -5.05 118.16 108.10 1ckr n LYS 449 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 1ckr n LYS 449 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.06 1ckr n LYS 449 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ckr n ASP 450 N 0.00 -0.64 -4.89 3.14 8.00 -1.26 -5.10 116.55 115.81 1ckr n ASP 450 Ca 0.00 -3.31 -0.29 0.00 0.71 0.00 0.00 54.79 51.90 1ckr n ASP 450 Cb 0.00 0.56 0.02 0.00 -0.02 0.00 0.00 41.12 41.68 1ckr n ASP 450 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ckr s ASN 451 N -1.90 6.01 -0.77 -2.24 2.20 -1.13 -4.61 114.94 112.50 1ckr s ASN 451 Ca 0.31 1.13 -0.13 0.00 -0.94 0.00 0.00 52.86 53.24 1ckr s ASN 451 Cb 0.33 -2.20 0.20 0.00 -2.00 0.00 0.00 41.25 37.58 1ckr s ASN 451 CO -0.06 -0.90 0.69 0.20 -2.94 0.00 0.00 177.10 174.09 1ckr s ASN 452 N -4.21 6.49 -0.22 3.54 -0.87 -0.26 -4.89 114.94 114.52 1ckr s ASN 452 Ca 0.53 -2.63 -0.29 0.00 -1.57 0.00 0.00 52.86 48.90 1ckr s ASN 452 Cb -0.11 -2.16 -0.04 0.00 -0.02 0.00 0.00 41.25 38.93 1ckr s ASN 452 CO 0.50 -0.57 1.87 -0.22 -2.57 0.00 0.00 177.10 176.11 1ckr s LEU 453 N 0.26 3.73 -0.07 0.60 0.20 -1.26 -2.63 118.68 119.51 1ckr s LEU 453 Ca 0.16 1.74 -0.06 0.00 0.69 0.00 0.00 54.13 56.67 1ckr s LEU 453 Cb -0.13 -3.52 0.02 0.00 -0.43 0.00 0.00 46.19 42.13 1ckr s LEU 453 CO -0.07 -1.54 0.18 -1.48 -0.29 0.00 0.00 176.35 173.15 1ckr s LEU 454 N 6.40 1.12 0.05 -0.68 0.05 -1.08 -5.03 118.68 119.51 1ckr s LEU 454 Ca 0.84 0.37 0.00 0.00 0.05 0.00 0.00 54.13 55.39 1ckr s LEU 454 Cb -0.29 0.59 0.00 0.00 -2.05 0.00 0.00 46.19 44.45 1ckr s LEU 454 CO 0.34 -0.09 0.00 0.61 -0.55 0.00 0.00 176.35 176.66 1ckr n GLY 455 N 3.31 -3.51 3.54 -3.48 0.00 -1.26 -3.35 105.19 100.44 1ckr n GLY 455 Ca -0.16 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 1ckr n GLY 455 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckr s LYS 456 N -3.94 0.77 0.01 1.61 -2.85 -1.26 -0.36 119.74 113.72 1ckr s LYS 456 Ca 0.00 0.85 -0.09 0.00 -1.00 0.00 0.00 55.97 55.73 1ckr s LYS 456 Cb 0.00 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1ckr s LYS 456 CO 0.00 -0.10 0.18 -0.59 0.10 0.00 0.00 175.35 174.93 1ckr s PHE 457 N 0.24 0.03 -0.22 1.78 -0.71 -0.05 -5.01 117.98 114.03 1ckr s PHE 457 Ca -0.01 -0.15 -0.07 0.00 -1.04 0.00 0.00 56.93 55.66 1ckr s PHE 457 Cb -0.04 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.71 1ckr s PHE 457 CO 0.01 -0.35 0.06 -2.00 -1.34 0.00 0.00 175.22 171.60 1ckr s GLU 458 N -1.85 3.72 -0.12 1.99 2.12 -1.26 -0.63 118.70 122.67 1ckr s GLU 458 Ca -0.11 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1ckr s GLU 458 Cb -0.05 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 1ckr s GLU 458 CO -0.00 -0.04 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.37 1ckr s LEU 459 N 1.22 2.72 -0.04 2.70 1.98 0.07 -5.00 118.68 122.33 1ckr s LEU 459 Ca 0.04 -0.31 -0.16 0.00 -2.89 0.00 0.00 54.13 50.81 1ckr s LEU 459 Cb -0.14 -1.61 0.03 0.00 0.66 0.00 0.00 46.19 45.13 1ckr s LEU 459 CO 0.03 0.18 0.36 0.42 -1.89 0.00 0.00 176.35 175.46 1ckr s THR 460 N 0.25 0.04 0.00 3.68 -4.23 -1.26 -0.59 115.64 113.52 1ckr s THR 460 Ca -0.09 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1ckr s THR 460 Cb -0.15 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.04 1ckr s THR 460 CO 0.05 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1ckr n GLY 461 N 1.48 0.35 3.88 3.99 0.00 -1.26 -5.08 105.19 108.54 1ckr n GLY 461 Ca -0.20 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 1ckr n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckr s ILE 462 N 0.00 5.24 -0.10 -0.61 1.01 -1.26 -4.88 121.20 120.59 1ckr s ILE 462 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 1ckr s ILE 462 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1ckr s ILE 462 CO 0.00 0.37 1.59 -2.16 0.00 0.00 0.00 174.94 174.74 1ckr s PRO 463 N -1.72 4.11 -0.58 2.79 0.04 -1.26 -4.62 135.00 133.76 1ckr s PRO 463 Ca 0.28 2.00 -0.28 0.00 0.04 0.00 0.00 61.00 63.05 1ckr s PRO 463 Cb -0.14 -3.96 0.03 0.00 0.04 0.00 0.00 34.50 30.47 1ckr s PRO 463 CO 0.16 -0.92 1.16 -1.25 0.04 0.00 0.00 177.00 176.19 1ckr s PRO 464 N 4.09 3.48 0.32 0.56 0.04 -1.26 -4.46 135.00 137.78 1ckr s PRO 464 Ca 0.70 0.17 0.07 0.00 0.04 0.00 0.00 61.00 61.99 1ckr s PRO 464 Cb -0.30 -4.02 -0.06 0.00 0.04 0.00 0.00 34.50 30.15 1ckr s PRO 464 CO 0.27 -1.67 -0.05 0.00 0.04 0.00 0.00 177.00 175.59 1ckr s ALA 465 N 4.85 2.66 0.93 8.56 0.00 -1.26 -4.91 121.76 132.59 1ckr s ALA 465 Ca 0.41 -2.04 -0.10 0.00 0.00 0.00 0.00 51.96 50.23 1ckr s ALA 465 Cb -0.08 0.16 0.16 0.00 0.00 0.00 0.00 23.12 23.36 1ckr s ALA 465 CO 0.24 -0.06 1.14 -2.14 0.00 0.00 0.00 175.76 174.95 1ckr s PRO 466 N -3.71 0.88 -0.15 0.00 0.02 -1.24 -4.01 135.00 126.80 1ckr s PRO 466 Ca 0.32 1.51 -0.40 0.00 0.02 0.00 0.00 61.00 62.45 1ckr s PRO 466 Cb 0.05 -1.72 -0.18 0.00 0.02 0.00 0.00 34.50 32.68 1ckr s PRO 466 CO 0.15 -2.71 1.47 -2.13 -0.33 0.00 0.00 177.00 173.44 1ckr n ARG 467 N -4.29 0.74 -0.10 5.54 0.63 -1.25 -1.49 116.66 116.45 1ckr n ARG 467 Ca 0.11 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 1ckr n ARG 467 Cb 0.52 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.56 1ckr n ARG 467 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ckr n GLY 468 N 3.14 1.86 0.01 5.14 0.00 -1.17 -4.95 105.19 109.23 1ckr n GLY 468 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1ckr n GLY 468 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ckr n VAL 469 N -2.00 0.08 -1.77 1.61 3.14 -0.56 -4.56 118.33 114.28 1ckr n VAL 469 Ca 0.00 -0.25 -0.42 0.00 -2.96 0.00 0.00 64.34 60.72 1ckr n VAL 469 Cb 0.00 0.14 -0.02 0.00 -1.06 0.00 0.00 33.84 32.89 1ckr n VAL 469 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1ckr s PRO 470 N -2.62 4.13 0.14 1.45 0.02 -1.26 -4.84 135.00 132.02 1ckr s PRO 470 Ca -0.04 2.58 -0.10 0.00 0.02 0.00 0.00 61.00 63.46 1ckr s PRO 470 Cb 0.06 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1ckr s PRO 470 CO 0.40 -0.68 0.28 1.14 -0.33 0.00 0.00 177.00 177.82 1ckr s GLN 471 N 0.20 1.06 -0.05 5.54 -2.07 -1.26 -2.02 119.66 121.06 1ckr s GLN 471 Ca 0.68 -1.02 -0.03 0.00 -1.82 0.00 0.00 55.36 53.17 1ckr s GLN 471 Cb -0.48 0.39 0.02 0.00 -1.09 0.00 0.00 33.01 31.85 1ckr s GLN 471 CO 0.41 -0.38 0.12 0.96 -1.32 0.00 0.00 175.29 175.08 1ckr s ILE 472 N -3.90 -0.03 -0.52 3.63 -0.00 0.63 -4.38 121.20 116.64 1ckr s ILE 472 Ca 0.11 0.09 -0.21 0.00 -0.00 0.00 0.00 60.65 60.64 1ckr s ILE 472 Cb 0.03 -0.19 0.05 0.00 -0.00 0.00 0.00 42.46 42.36 1ckr s ILE 472 CO -0.05 0.04 0.72 -0.70 -0.00 0.00 0.00 174.94 174.94 1ckr s GLU 473 N 0.61 3.19 -0.78 0.37 2.12 0.85 -0.08 118.70 124.99 1ckr s GLU 473 Ca -0.05 -0.68 -0.25 0.00 0.36 0.00 0.00 54.97 54.36 1ckr s GLU 473 Cb -0.06 -4.08 0.05 0.00 0.26 0.00 0.00 34.13 30.30 1ckr s GLU 473 CO -0.03 -1.29 1.23 0.08 -0.54 0.00 0.00 175.26 174.72 1ckr s VAL 474 N 3.02 3.92 -0.19 3.70 1.01 -0.16 -0.44 120.40 131.25 1ckr s VAL 474 Ca 0.20 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 1ckr s VAL 474 Cb -0.17 -4.89 -0.04 0.00 0.00 0.00 0.00 36.38 31.28 1ckr s VAL 474 CO 0.14 -1.77 0.36 -0.89 0.00 0.00 0.00 175.10 172.94 1ckr s THR 475 N 5.14 5.23 -0.50 3.92 2.01 0.85 -2.56 115.64 129.73 1ckr s THR 475 Ca 0.34 0.64 -0.09 0.00 0.31 0.00 0.00 61.69 62.89 1ckr s THR 475 Cb -0.08 -3.69 0.13 0.00 0.01 0.00 0.00 72.50 68.86 1ckr s THR 475 CO 0.09 0.29 0.38 -0.36 -0.69 0.00 0.00 174.62 174.33 1ckr s PHE 476 N 1.12 3.44 -0.76 4.92 0.40 0.71 -0.06 117.98 127.74 1ckr s PHE 476 Ca 0.18 -1.92 -0.15 0.00 -0.60 0.00 0.00 56.93 54.44 1ckr s PHE 476 Cb -0.14 -3.51 0.20 0.00 0.51 0.00 0.00 43.02 40.07 1ckr s PHE 476 CO 0.07 -0.99 0.72 0.34 0.70 0.00 0.00 175.22 176.06 1ckr s ASP 477 N 2.56 6.63 -0.02 1.36 2.15 -0.62 -1.46 116.67 127.27 1ckr s ASP 477 Ca 0.07 -2.47 -0.22 0.00 0.43 0.00 0.00 52.55 50.36 1ckr s ASP 477 Cb -0.25 -2.21 -0.05 0.00 -0.30 0.00 0.00 42.92 40.11 1ckr s ASP 477 CO -0.01 -0.65 0.64 -0.63 -0.17 0.00 0.00 175.17 174.35 1ckr s ILE 478 N 0.55 4.93 0.32 4.11 1.01 0.05 -0.76 121.20 131.41 1ckr s ILE 478 Ca 0.15 1.34 -0.07 0.00 0.00 0.00 0.00 60.65 62.07 1ckr s ILE 478 Cb -0.15 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.29 1ckr s ILE 478 CO -0.06 0.36 0.61 -1.81 0.00 0.00 0.00 174.94 174.04 1ckr s ASP 479 N 0.12 6.47 0.59 3.58 1.01 0.11 -1.97 116.67 126.58 1ckr s ASP 479 Ca 0.33 0.84 0.30 0.00 0.71 0.00 0.00 52.55 54.73 1ckr s ASP 479 Cb -0.18 -2.20 1.36 0.00 1.01 0.00 0.00 42.92 42.91 1ckr s ASP 479 CO 0.18 -0.25 1.74 0.00 0.21 0.00 0.00 175.17 177.05 1ckr h ALA 480 N 1.60 2.49 -0.69 5.23 0.00 -1.88 -2.23 119.26 123.79 1ckr h ALA 480 Ca -0.47 -0.02 -0.47 0.00 0.00 0.00 0.00 54.91 53.95 1ckr h ALA 480 Cb 1.19 0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.83 1ckr h ALA 480 CO 0.66 -1.07 0.60 0.09 0.00 0.00 0.00 179.25 179.52 1ckr n ASN 481 N -3.65 6.85 -3.85 0.00 3.02 -1.26 -4.84 115.26 111.54 1ckr n ASN 481 Ca 0.14 -3.35 -0.25 0.00 -0.03 0.00 0.00 54.58 51.09 1ckr n ASN 481 Cb 0.96 -1.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.13 1ckr n ASN 481 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ckr n GLY 482 N -0.19 -0.31 3.25 7.41 0.00 -0.86 -4.74 105.19 109.76 1ckr n GLY 482 Ca 0.43 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 46.25 1ckr n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckr s ILE 483 N -3.68 3.11 -0.40 -0.61 1.01 -1.09 -4.27 121.20 115.27 1ckr s ILE 483 Ca 0.15 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 1ckr s ILE 483 Cb -0.08 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.90 1ckr s ILE 483 CO 0.85 0.29 0.43 -0.22 0.00 0.00 0.00 174.94 176.28 1ckr s LEU 484 N 1.39 4.74 -0.93 2.97 2.96 -0.89 0.04 118.68 128.96 1ckr s LEU 484 Ca 0.03 -0.54 -0.21 0.00 -0.22 0.00 0.00 54.13 53.19 1ckr s LEU 484 Cb -0.16 -2.40 0.10 0.00 0.50 0.00 0.00 46.19 44.23 1ckr s LEU 484 CO -0.04 -0.53 1.23 0.21 -1.32 0.00 0.00 176.35 175.89 1ckr s ASN 485 N 1.80 6.54 -0.29 3.68 2.47 0.06 -0.75 114.94 128.44 1ckr s ASN 485 Ca 0.13 -1.73 -0.21 0.00 0.42 0.00 0.00 52.86 51.46 1ckr s ASN 485 Cb -0.17 -2.46 -0.01 0.00 -1.45 0.00 0.00 41.25 37.16 1ckr s ASN 485 CO 0.13 -1.26 0.69 -0.69 -3.72 0.00 0.00 177.10 172.25 1ckr s VAL 486 N 3.63 4.90 -0.26 -5.21 1.01 0.10 -1.59 120.40 122.98 1ckr s VAL 486 Ca 0.36 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.43 1ckr s VAL 486 Cb -0.04 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1ckr s VAL 486 CO -0.08 -0.13 -0.05 -0.55 0.00 0.00 0.00 175.10 174.29 1ckr s SER 487 N 1.57 4.13 -0.19 3.32 0.15 0.91 -1.81 113.70 121.79 1ckr s SER 487 Ca 0.28 -1.36 -0.25 0.00 0.70 0.00 0.00 55.95 55.33 1ckr s SER 487 Cb -0.15 -1.32 -0.01 0.00 -1.71 0.00 0.00 66.02 62.83 1ckr s SER 487 CO 0.11 -0.24 0.81 0.00 1.20 0.00 0.00 173.24 175.12 1ckr s ALA 488 N 1.27 3.55 -0.18 5.45 0.00 -1.00 -0.10 121.76 130.74 1ckr s ALA 488 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1ckr s ALA 488 Cb -0.19 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1ckr s ALA 488 CO -0.07 -0.71 -0.18 0.08 0.00 0.00 0.00 175.76 174.89 1ckr s VAL 489 N 2.30 2.29 -1.19 0.00 1.01 0.41 -2.66 120.40 122.55 1ckr s VAL 489 Ca 0.37 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1ckr s VAL 489 Cb -0.16 -1.97 0.07 0.00 0.00 0.00 0.00 36.38 34.32 1ckr s VAL 489 CO 0.11 0.52 1.60 -1.81 0.00 0.00 0.00 175.10 175.52 1ckr s ASP 490 N 1.24 6.74 0.09 3.32 1.01 0.88 -0.11 116.67 129.84 1ckr s ASP 490 Ca 0.03 -2.14 -0.16 0.00 0.71 0.00 0.00 52.55 50.98 1ckr s ASP 490 Cb -0.14 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.16 1ckr s ASP 490 CO -0.10 -1.25 1.48 0.50 0.21 0.00 0.00 175.17 176.01 1ckr h LYS 491 N 8.32 0.59 -0.26 8.23 3.64 -1.82 0.17 116.57 135.45 1ckr h LYS 491 Ca 0.35 -0.24 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1ckr h LYS 491 Cb 0.92 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1ckr h LYS 491 CO 1.42 0.80 0.17 0.77 -2.27 0.00 0.00 179.45 180.35 1ckr h SER 492 N 0.35 0.17 0.82 4.20 0.02 -1.89 -1.07 113.55 116.15 1ckr h SER 492 Ca 0.07 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1ckr h SER 492 Cb 0.60 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1ckr h SER 492 CO 0.03 0.12 -0.08 0.41 -1.14 0.00 0.00 176.83 176.17 1ckr n THR 493 N -4.49 0.00 -3.88 -2.27 -1.04 -1.05 -5.02 114.28 96.53 1ckr n THR 493 Ca 0.02 -0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 1ckr n THR 493 Cb 0.19 -0.37 0.01 0.00 -1.82 0.00 0.00 70.33 68.34 1ckr n THR 493 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ckr n GLY 494 N 1.45 -1.18 2.79 3.41 0.00 0.54 -5.01 105.19 107.20 1ckr n GLY 494 Ca 0.08 0.53 -0.18 0.00 0.00 0.00 0.00 46.02 46.45 1ckr n GLY 494 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ckr s LYS 495 N -5.68 0.16 0.12 1.61 2.47 -0.80 -5.00 119.74 112.62 1ckr s LYS 495 Ca 0.15 0.32 0.06 0.00 -1.56 0.00 0.00 55.97 54.93 1ckr s LYS 495 Cb -0.08 -0.94 -0.04 0.00 -1.46 0.00 0.00 37.83 35.31 1ckr s LYS 495 CO 0.92 -0.56 -0.13 -1.83 0.16 0.00 0.00 175.35 173.91 1ckr s GLU 496 N 2.33 1.00 -0.00 4.03 -1.05 -1.26 -0.09 118.70 123.66 1ckr s GLU 496 Ca 0.06 -1.23 0.01 0.00 -0.15 0.00 0.00 54.97 53.65 1ckr s GLU 496 Cb -0.15 -0.85 -0.00 0.00 -0.44 0.00 0.00 34.13 32.69 1ckr s GLU 496 CO -0.11 0.16 -0.03 1.21 0.95 0.00 0.00 175.26 177.44 1ckr s ASN 497 N -2.47 0.41 0.03 0.83 2.47 -1.09 -5.02 114.94 110.11 1ckr s ASN 497 Ca 0.09 -0.06 0.02 0.00 0.42 0.00 0.00 52.86 53.32 1ckr s ASN 497 Cb -0.04 -0.05 -0.02 0.00 -1.45 0.00 0.00 41.25 39.69 1ckr s ASN 497 CO 0.03 0.04 -0.07 -1.59 -3.72 0.00 0.00 177.10 171.79 1ckr s LYS 498 N -0.07 0.51 -0.11 0.43 -2.85 -1.26 -2.38 119.74 114.01 1ckr s LYS 498 Ca 0.01 -0.63 0.02 0.00 -1.00 0.00 0.00 55.97 54.37 1ckr s LYS 498 Cb -0.01 -0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 35.42 1ckr s LYS 498 CO -0.00 0.06 -0.17 -1.50 0.10 0.00 0.00 175.35 173.84 1ckr s ILE 499 N -1.10 2.70 -0.44 3.79 2.07 -0.75 -4.95 121.20 122.52 1ckr s ILE 499 Ca -0.07 -0.80 -0.15 0.00 -1.41 0.00 0.00 60.65 58.22 1ckr s ILE 499 Cb -0.08 -2.09 0.05 0.00 0.13 0.00 0.00 42.46 40.47 1ckr s ILE 499 CO 0.00 0.54 0.35 -0.89 -1.91 0.00 0.00 174.94 173.04 1ckr s THR 500 N 0.18 5.19 -0.37 4.00 2.01 -1.26 -0.72 115.64 124.68 1ckr s THR 500 Ca -0.10 -0.92 -0.21 0.00 0.31 0.00 0.00 61.69 60.77 1ckr s THR 500 Cb -0.16 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.34 1ckr s THR 500 CO 0.06 -0.47 0.66 -0.63 -0.69 0.00 0.00 174.62 173.55 1ckr s ILE 501 N 1.65 4.86 -0.11 1.82 1.01 0.07 -4.93 121.20 125.55 1ckr s ILE 501 Ca 0.04 0.56 -0.24 0.00 0.00 0.00 0.00 60.65 61.02 1ckr s ILE 501 Cb -0.22 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 1ckr s ILE 501 CO 0.08 -0.37 0.73 0.42 0.00 0.00 0.00 174.94 175.79 1ckr s THR 502 N 2.79 5.00 -1.15 2.92 -4.23 -1.26 -2.09 115.64 117.61 1ckr s THR 502 Ca 0.25 1.46 -0.17 0.00 -1.18 0.00 0.00 61.69 62.05 1ckr s THR 502 Cb -0.14 -4.05 0.12 0.00 1.34 0.00 0.00 72.50 69.76 1ckr s THR 502 CO 0.16 0.17 1.45 0.21 -0.54 0.00 0.00 174.62 176.06 1ckr s ASN 503 N 0.96 6.84 -0.01 3.99 3.84 -1.26 -4.61 114.94 124.69 1ckr s ASN 503 Ca 0.36 -2.45 0.00 0.00 0.21 0.00 0.00 52.86 50.99 1ckr s ASN 503 Cb -0.17 -2.47 -0.01 0.00 -0.55 0.00 0.00 41.25 38.05 1ckr s ASN 503 CO 0.15 -1.02 -0.00 0.47 -2.79 0.00 0.00 177.10 173.91 1ckr n ASP 504 N 6.97 4.30 -4.32 -4.21 8.00 -1.26 -5.03 116.55 120.99 1ckr n ASP 504 Ca 0.37 -0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.54 1ckr n ASP 504 Cb 0.46 0.21 -0.15 0.00 -0.02 0.00 0.00 41.12 41.62 1ckr n ASP 504 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ckr s LYS 505 N -2.02 2.91 0.00 -1.24 1.02 -1.26 -4.78 119.74 114.37 1ckr s LYS 505 Ca -0.01 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.18 1ckr s LYS 505 Cb 0.00 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1ckr s LYS 505 CO 0.03 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 1ckr n GLY 506 N 3.15 2.83 3.78 -3.33 0.00 -1.26 -4.97 105.19 105.39 1ckr n GLY 506 Ca -0.18 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 1ckr n GLY 506 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ckr n ARG 506 N 0.00 -4.80 -0.39 1.61 3.00 -1.26 -4.96 116.66 109.87 1ckr n ARG 506 Ca 0.00 0.58 -0.02 0.00 -0.01 0.00 0.00 57.85 58.40 1ckr n ARG 506 Cb 0.00 -5.15 0.03 0.00 0.00 0.00 0.00 32.46 27.34 1ckr n ARG 506 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1ckr n LEU 507 N -4.38 -0.69 0.00 0.55 -0.00 -1.26 -4.90 117.00 106.33 1ckr n LEU 507 Ca -0.23 1.75 0.00 0.00 -0.00 0.00 0.00 56.01 57.53 1ckr n LEU 507 Cb 0.65 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 1ckr n LEU 507 CO 0.71 -1.55 0.00 -0.24 -0.00 0.00 0.00 177.39 176.31 1ckr n SER 508 N -5.45 0.00 -0.28 1.45 2.88 -1.26 -2.69 113.62 108.28 1ckr n SER 508 Ca 0.09 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.72 1ckr n SER 508 Cb 0.39 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.08 1ckr n SER 508 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1ckr h LYS 509 N 0.00 0.40 0.28 -1.46 -0.00 -1.99 -2.70 116.57 111.10 1ckr h LYS 509 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.65 60.61 1ckr h LYS 509 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 32.14 1ckr h LYS 509 CO 0.00 0.26 -0.13 1.05 -0.00 0.00 0.00 179.45 180.63 1ckr h GLU 510 N 0.41 -0.36 -0.37 0.07 4.11 -1.91 -2.89 114.58 113.62 1ckr h GLU 510 Ca 0.47 0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.93 1ckr h GLU 510 Cb 0.80 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1ckr h GLU 510 CO -0.47 -0.24 0.23 -0.44 0.07 0.00 0.00 179.01 178.16 1ckr h ASP 511 N -0.91 0.44 -0.15 3.06 3.32 -1.63 -2.79 116.42 117.76 1ckr h ASP 511 Ca -0.04 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1ckr h ASP 511 Cb 0.29 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1ckr h ASP 511 CO 0.06 0.36 0.01 0.40 -1.72 0.00 0.00 179.24 178.35 1ckr h ILE 512 N 0.49 1.23 -0.62 0.35 2.04 -1.64 0.94 117.51 120.30 1ckr h ILE 512 Ca 0.13 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1ckr h ILE 512 Cb -0.01 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1ckr h ILE 512 CO -0.03 0.23 0.33 -0.08 0.00 0.00 0.00 178.15 178.59 1ckr h GLU 513 N 0.02 0.86 0.05 2.37 4.57 -1.59 -2.10 114.58 118.75 1ckr h GLU 513 Ca 0.04 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1ckr h GLU 513 Cb 0.33 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1ckr h GLU 513 CO 0.00 0.64 -0.02 0.07 -1.18 0.00 0.00 179.01 178.52 1ckr h ARG 514 N 0.86 -0.06 0.00 1.92 0.11 -1.44 -3.35 114.38 112.42 1ckr h ARG 514 Ca 0.22 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.25 1ckr h ARG 514 Cb 0.04 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 1ckr h ARG 514 CO -0.03 0.49 -0.44 0.52 0.10 0.00 0.00 179.97 180.60 1ckr h MET 515 N -0.66 0.00 0.00 0.08 2.86 -0.85 -3.40 114.93 112.96 1ckr h MET 515 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ckr h MET 515 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1ckr h MET 515 CO 0.01 0.42 -0.04 -0.24 1.06 0.00 0.00 176.91 178.12 1ckr h VAL 516 N -1.00 0.00 -0.18 -2.22 3.04 -1.55 0.81 116.25 115.15 1ckr h VAL 516 Ca -0.08 -0.79 -0.06 0.00 -1.01 0.00 0.00 66.70 64.77 1ckr h VAL 516 Cb 0.64 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.68 1ckr h VAL 516 CO -0.05 0.00 -0.14 -0.61 -1.01 0.00 0.00 177.57 175.77 1ckr h GLN 517 N 0.00 0.29 0.00 4.17 4.15 -1.67 -3.11 115.11 118.94 1ckr h GLN 517 Ca 0.00 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 1ckr h GLN 517 Cb 0.89 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.54 1ckr h GLN 517 CO 0.00 0.43 -0.19 1.05 -1.93 0.00 0.00 178.83 178.20 1ckr h GLU 518 N 0.27 0.00 0.00 1.69 4.11 -1.76 -3.45 114.58 115.45 1ckr h GLU 518 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1ckr h GLU 518 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1ckr h GLU 518 CO 0.02 0.65 0.00 0.00 0.07 0.00 0.00 179.01 179.76 1ckr n ALA 519 N -2.82 -0.07 -0.32 1.06 0.00 0.27 -1.49 120.51 117.14 1ckr n ALA 519 Ca -0.10 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.55 1ckr n ALA 519 Cb 0.36 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.28 1ckr n ALA 519 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1ckr h GLU 520 N 0.00 0.44 0.00 0.00 -0.00 -1.83 0.60 114.58 113.79 1ckr h GLU 520 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 1ckr h GLU 520 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 28.65 1ckr h GLU 520 CO 0.00 0.29 0.00 1.63 -0.00 0.00 0.00 179.01 180.93 1ckr n LYS 521 N -4.65 0.00 0.20 1.06 5.02 -1.25 -2.68 118.16 115.85 1ckr n LYS 521 Ca 0.25 0.34 0.14 0.00 -2.02 0.00 0.00 58.31 57.01 1ckr n LYS 521 Cb 0.82 -1.27 0.71 0.00 -0.02 0.00 0.00 35.03 35.27 1ckr n LYS 521 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1ckr h TYR 522 N 0.00 0.00 0.00 2.13 5.03 -0.63 -2.39 116.97 121.11 1ckr h TYR 522 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1ckr h TYR 522 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1ckr h TYR 522 CO 0.03 0.00 -0.11 0.87 -1.32 0.00 0.00 178.16 177.63 1ckr h LYS 523 N 0.00 0.00 -0.03 1.82 1.57 0.12 0.12 116.57 120.18 1ckr h LYS 523 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1ckr h LYS 523 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1ckr h LYS 523 CO 0.00 0.00 0.09 0.00 -0.57 0.00 0.00 179.45 178.97 1ckr h ALA 524 N -1.30 1.26 0.01 3.86 0.00 -1.56 -0.56 119.26 120.96 1ckr h ALA 524 Ca 0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1ckr h ALA 524 Cb 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ckr h ALA 524 CO 0.00 -0.10 -1.33 1.49 0.00 0.00 0.00 179.25 179.31 1ckr h GLU 525 N 0.00 0.01 -0.00 0.00 4.57 -1.58 -3.04 114.58 114.54 1ckr h GLU 525 Ca 0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1ckr h GLU 525 Cb 0.19 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1ckr h GLU 525 CO -0.00 0.78 0.22 0.22 -1.18 0.00 0.00 179.01 179.06 1ckr h ASP 526 N 0.00 0.00 -0.73 1.04 1.82 0.87 -3.46 116.42 115.96 1ckr h ASP 526 Ca -0.14 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1ckr h ASP 526 Cb 1.89 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.90 1ckr h ASP 526 CO 0.11 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.12 1ckr n GLU 527 N -2.95 0.00 -3.23 0.28 1.02 -0.97 -4.41 120.64 110.37 1ckr n GLU 527 Ca -0.02 0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 57.08 1ckr n GLU 527 Cb 0.28 -0.36 0.02 0.00 -0.02 0.00 0.00 31.44 31.35 1ckr n GLU 527 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ckr n LYS 528 N -0.31 -1.55 0.00 3.49 4.01 -1.17 -4.76 118.16 117.86 1ckr n LYS 528 Ca 0.00 1.18 0.00 0.00 -0.51 0.00 0.00 58.31 58.98 1ckr n LYS 528 Cb 0.12 -5.29 0.00 0.00 -0.51 0.00 0.00 35.03 29.35 1ckr n LYS 528 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ckr n GLN 529 N -2.42 0.00 -0.86 1.97 0.00 -0.92 -0.44 117.38 114.71 1ckr n GLN 529 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 57.00 57.02 1ckr n GLN 529 Cb 0.56 0.00 0.40 0.00 0.00 0.00 0.00 30.24 31.19 1ckr n GLN 529 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ckr n ARG 530 N -0.47 4.72 -0.00 2.61 5.12 -1.25 -4.47 116.66 122.92 1ckr n ARG 530 Ca 0.00 -3.13 -0.12 0.00 -1.93 0.00 0.00 57.85 52.66 1ckr n ARG 530 Cb 0.00 -2.22 -0.10 0.00 -1.16 0.00 0.00 32.46 28.99 1ckr n ARG 530 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 1ckr h ASP 531 N 3.93 -0.06 -2.16 0.55 3.58 -0.77 -3.39 116.42 118.09 1ckr h ASP 531 Ca 0.00 -0.56 -0.53 0.00 0.42 0.00 0.00 57.03 56.37 1ckr h ASP 531 Cb 1.91 0.02 -0.07 0.00 1.72 0.00 0.00 39.33 42.91 1ckr h ASP 531 CO 0.46 0.57 1.16 -1.59 -2.88 0.00 0.00 179.24 176.95 1ckr s LYS 532 N -3.43 3.04 0.00 0.28 0.00 -1.20 -4.17 119.74 114.26 1ckr s LYS 532 Ca -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 55.97 55.77 1ckr s LYS 532 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 37.83 33.52 1ckr s LYS 532 CO 0.60 -2.34 0.00 1.55 0.00 0.00 0.00 175.35 175.16 1ckr n VAL 533 N 6.66 0.00 0.00 1.79 3.14 -0.67 -5.04 118.33 124.21 1ckr n VAL 533 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 1ckr n VAL 533 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 1ckr n VAL 533 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1ckr n SER 534 N 0.00 0.00 -4.26 6.55 2.88 -1.26 -4.73 113.62 112.79 1ckr n SER 534 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1ckr n SER 534 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1ckr n SER 534 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ckr s SER 535 N -1.02 6.54 1.12 -3.46 0.15 -1.26 -4.94 113.70 110.83 1ckr s SER 535 Ca 0.00 -3.07 0.00 0.00 0.70 0.00 0.00 55.95 53.58 1ckr s SER 535 Cb 0.00 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1ckr s SER 535 CO 0.00 -0.42 0.00 1.17 1.20 0.00 0.00 173.24 175.19 1ckr n LYS 536 N 3.37 0.00 -3.21 5.44 0.00 -1.26 -3.26 118.16 119.23 1ckr n LYS 536 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.17 1ckr n LYS 536 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.40 1ckr n LYS 536 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ckr n ASN 537 N 9.46 4.49 -4.53 3.14 3.02 -1.26 -1.67 115.26 127.91 1ckr n ASN 537 Ca 0.00 -3.51 -0.34 0.00 -0.03 0.00 0.00 54.58 50.70 1ckr n ASN 537 Cb 0.00 -0.75 -0.12 0.00 -0.61 0.00 0.00 39.78 38.30 1ckr n ASN 537 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ckr s SER 538 N -2.56 4.67 -0.11 6.41 1.04 -1.20 0.09 113.70 122.03 1ckr s SER 538 Ca 0.41 -0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.80 1ckr s SER 538 Cb 0.17 -1.49 0.34 0.00 0.10 0.00 0.00 66.02 65.14 1ckr s SER 538 CO -0.03 0.26 1.07 0.00 0.98 0.00 0.00 173.24 175.52 1ckr n LEU 539 N 2.90 3.17 0.00 2.42 -0.00 -1.26 -4.15 117.00 120.08 1ckr n LEU 539 Ca -0.18 -1.61 0.00 0.00 -0.00 0.00 0.00 56.01 54.22 1ckr n LEU 539 Cb 0.53 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 1ckr n LEU 539 CO 0.30 0.44 0.14 -0.62 -0.00 0.00 0.00 177.39 177.65