#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckr n GLU 384 N 0.00 0.00 -2.04 1.43 4.71 -1.26 -4.86 120.64 118.62 1ckr n GLU 384 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.82 1ckr n GLU 384 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.44 1ckr n GLU 384 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1ckr s ASN 385 N 0.00 5.82 -1.24 1.62 -0.87 -1.26 -4.96 114.94 114.05 1ckr s ASN 385 Ca 0.00 1.79 -0.15 0.00 -1.57 0.00 0.00 52.86 52.93 1ckr s ASN 385 Cb 0.00 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.66 1ckr s ASN 385 CO 0.00 -1.14 2.23 1.33 -2.57 0.00 0.00 177.10 176.95 1ckr n VAL 386 N -2.07 3.01 0.00 1.60 0.24 -1.26 -4.11 118.33 115.74 1ckr n VAL 386 Ca 0.08 -2.40 0.00 0.00 -2.04 0.00 0.00 64.34 59.98 1ckr n VAL 386 Cb 0.53 -2.49 0.00 0.00 -1.47 0.00 0.00 33.84 30.41 1ckr n VAL 386 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1ckr n GLN 387 N 5.84 0.00 -2.88 7.34 7.27 -1.26 -5.06 117.38 128.64 1ckr n GLN 387 Ca 0.54 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 57.18 1ckr n GLN 387 Cb 0.35 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.98 1ckr n GLN 387 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1ckr s ASP 388 N -0.05 6.67 -0.94 1.69 1.11 -1.26 -4.96 116.67 118.92 1ckr s ASP 388 Ca 0.00 -2.08 -0.19 0.00 0.18 0.00 0.00 52.55 50.46 1ckr s ASP 388 Cb 0.00 -2.42 0.13 0.00 1.07 0.00 0.00 42.92 41.69 1ckr s ASP 388 CO 0.00 -1.08 1.16 -0.22 1.18 0.00 0.00 175.17 176.20 1ckr s LEU 389 N 2.87 4.95 -0.53 1.23 1.98 -1.26 -0.02 118.68 127.90 1ckr s LEU 389 Ca 0.36 -2.03 -0.18 0.00 -2.89 0.00 0.00 54.13 49.39 1ckr s LEU 389 Cb -0.04 -2.41 0.09 0.00 0.66 0.00 0.00 46.19 44.49 1ckr s LEU 389 CO -0.08 -1.08 0.58 -0.76 -1.89 0.00 0.00 176.35 173.11 1ckr s LEU 390 N 2.80 5.46 -1.21 -0.68 1.43 -1.26 -5.01 118.68 120.22 1ckr s LEU 390 Ca 0.34 -1.32 -0.15 0.00 -1.03 0.00 0.00 54.13 51.96 1ckr s LEU 390 Cb -0.04 -2.30 0.14 0.00 0.03 0.00 0.00 46.19 44.01 1ckr s LEU 390 CO -0.09 -0.90 1.49 -0.76 0.23 0.00 0.00 176.35 176.32 1ckr s LEU 391 N 2.25 4.70 -0.24 1.79 1.43 -1.26 -4.93 118.68 122.43 1ckr s LEU 391 Ca 0.09 -2.75 -0.16 0.00 -1.03 0.00 0.00 54.13 50.28 1ckr s LEU 391 Cb -0.24 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 43.60 1ckr s LEU 391 CO 0.07 -0.89 0.60 -1.48 0.23 0.00 0.00 176.35 174.88 1ckr s LEU 392 N 2.41 -0.56 -1.34 1.79 0.05 -1.26 -5.09 118.68 114.68 1ckr s LEU 392 Ca 0.45 1.28 -0.15 0.00 0.05 0.00 0.00 54.13 55.76 1ckr s LEU 392 Cb -0.01 2.04 0.08 0.00 -2.05 0.00 0.00 46.19 46.25 1ckr s LEU 392 CO 0.01 -0.22 1.87 0.47 -0.55 0.00 0.00 176.35 177.93 1ckr n ASP 393 N 3.88 4.65 -4.87 1.48 8.00 -1.26 -4.99 116.55 123.43 1ckr n ASP 393 Ca -0.19 -2.92 -0.34 0.00 0.71 0.00 0.00 54.79 52.04 1ckr n ASP 393 Cb 0.57 -1.67 -0.06 0.00 -0.02 0.00 0.00 41.12 39.95 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 3.15 5.31 -0.12 2.53 -7.23 -1.26 -1.85 120.40 120.93 1ckr s VAL 394 Ca 0.49 -0.10 -0.19 0.00 -1.81 0.00 0.00 61.98 60.37 1ckr s VAL 394 Cb 0.07 -3.42 -0.04 0.00 0.56 0.00 0.00 36.38 33.55 1ckr s VAL 394 CO 0.01 0.42 0.51 0.28 -0.31 0.00 0.00 175.10 176.00 1ckr s THR 395 N -1.21 5.17 0.49 5.32 -1.32 -0.69 -4.88 115.64 118.52 1ckr s THR 395 Ca 0.23 1.01 0.19 0.00 -1.21 0.00 0.00 61.69 61.91 1ckr s THR 395 Cb -0.12 -3.85 0.35 0.00 -1.51 0.00 0.00 72.50 67.37 1ckr s THR 395 CO 0.13 0.30 2.02 1.55 -2.21 0.00 0.00 174.62 176.41 1ckr h PRO 396 N 6.79 0.17 -6.44 7.08 0.13 -1.94 -2.66 132.00 135.14 1ckr h PRO 396 Ca -0.40 -0.01 -0.44 0.00 -0.87 0.00 0.00 66.00 64.28 1ckr h PRO 396 Cb 1.18 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1ckr h PRO 396 CO 0.75 0.11 -0.25 -1.17 -0.23 0.00 0.00 178.00 177.22 1ckr s LEU 397 N -9.05 3.52 -0.28 1.56 2.96 -1.26 -1.84 118.68 114.29 1ckr s LEU 397 Ca -0.06 -0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 53.22 1ckr s LEU 397 Cb 0.19 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1ckr s LEU 397 CO 0.73 -0.85 0.14 -0.94 -1.32 0.00 0.00 176.35 174.11 1ckr s SER 398 N -4.38 5.58 -0.22 3.68 1.04 -1.24 -4.34 113.70 113.82 1ckr s SER 398 Ca 0.55 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.71 1ckr s SER 398 Cb -0.08 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 63.99 1ckr s SER 398 CO 0.33 -0.08 0.01 -0.76 0.98 0.00 0.00 173.24 173.72 1ckr s LEU 399 N 1.67 3.24 0.00 2.42 1.43 -1.26 -2.49 118.68 123.69 1ckr s LEU 399 Ca 0.06 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1ckr s LEU 399 Cb -0.16 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1ckr s LEU 399 CO 0.07 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1ckr n GLY 400 N 4.59 5.55 3.07 -3.19 0.00 -0.29 -4.39 105.19 110.53 1ckr n GLY 400 Ca -0.17 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 1.68 0.01 -0.66 -0.61 -4.36 -1.07 -1.77 121.20 114.43 1ckr s ILE 401 Ca 0.00 -0.12 -0.24 0.00 -0.26 0.00 0.00 60.65 60.04 1ckr s ILE 401 Cb 0.00 -0.29 0.06 0.00 1.25 0.00 0.00 42.46 43.48 1ckr s ILE 401 CO 0.00 -0.06 1.02 -0.70 0.24 0.00 0.00 174.94 175.43 1ckr s GLU 402 N -0.16 3.16 0.04 0.37 2.12 0.23 -2.25 118.70 122.21 1ckr s GLU 402 Ca -0.03 -0.63 0.06 0.00 0.36 0.00 0.00 54.97 54.74 1ckr s GLU 402 Cb -0.02 -4.19 -0.03 0.00 0.26 0.00 0.00 34.13 30.14 1ckr s GLU 402 CO 0.01 -1.82 -0.15 0.95 -0.54 0.00 0.00 175.26 173.70 1ckr s THR 403 N 4.35 3.03 0.00 -1.70 -4.23 0.54 -3.48 115.64 114.15 1ckr s THR 403 Ca 0.26 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1ckr s THR 403 Cb -0.15 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1ckr s THR 403 CO 0.13 0.31 0.00 0.00 -0.54 0.00 0.00 174.62 174.52 1ckr n ALA 404 N 1.43 0.00 -0.40 3.99 0.00 -0.59 -1.99 120.51 122.94 1ckr n ALA 404 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 1ckr n ALA 404 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 1ckr n ALA 404 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ckr n GLY 405 N 0.00 2.78 3.06 0.00 0.00 -1.26 -4.86 105.19 104.90 1ckr n GLY 405 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 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 1.11 -1.19 3.17 -0.02 0.00 -0.90 -4.99 105.19 102.37 1ckr n GLY 406 Ca 0.07 0.84 -0.09 0.00 0.00 0.00 0.00 46.02 46.84 1ckr n GLY 406 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ckr s VAL 407 N -2.75 0.15 0.20 1.61 -7.23 -0.84 -3.42 120.40 108.12 1ckr s VAL 407 Ca 0.12 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.73 1ckr s VAL 407 Cb -0.03 -1.27 -0.08 0.00 0.56 0.00 0.00 36.38 35.56 1ckr s VAL 407 CO 0.78 -0.70 1.06 -0.32 -0.31 0.00 0.00 175.10 175.61 1ckr s MET 408 N -3.55 4.66 -0.07 4.82 1.75 -1.10 -0.34 119.30 125.46 1ckr s MET 408 Ca 0.03 1.67 0.02 0.00 -1.25 0.00 0.00 55.69 56.16 1ckr s MET 408 Cb 0.04 -3.27 0.01 0.00 2.84 0.00 0.00 34.83 34.45 1ckr s MET 408 CO -0.09 0.19 -0.12 0.99 -0.65 0.00 0.00 175.02 175.34 1ckr s THR 409 N -0.54 1.11 -0.10 10.11 2.01 -0.95 -4.17 115.64 123.11 1ckr s THR 409 Ca 0.47 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 62.02 1ckr s THR 409 Cb -0.29 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.22 1ckr s THR 409 CO 0.35 0.35 -0.11 0.54 -0.69 0.00 0.00 174.62 175.06 1ckr s VAL 410 N 0.73 1.20 -0.13 3.82 0.11 -1.26 -2.60 120.40 122.27 1ckr s VAL 410 Ca -0.13 -0.44 0.19 0.00 -2.93 0.00 0.00 61.98 58.67 1ckr s VAL 410 Cb -0.16 -1.15 -0.19 0.00 -1.53 0.00 0.00 36.38 33.36 1ckr s VAL 410 CO 0.03 0.39 0.62 0.00 -3.33 0.00 0.00 175.10 172.81 1ckr n LEU 411 N 4.47 0.47 0.00 2.54 -0.00 -1.26 -4.97 117.00 118.26 1ckr n LEU 411 Ca -0.17 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1ckr n LEU 411 Cb 0.51 0.12 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 1ckr n LEU 411 CO 0.21 0.13 0.00 -0.38 -0.00 0.00 0.00 177.39 177.35 1ckr n ILE 412 N -2.67 0.00 -3.49 1.47 2.08 -1.26 -5.03 119.36 110.45 1ckr n ILE 412 Ca -0.11 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.09 1ckr n ILE 412 Cb 0.79 -1.84 -0.02 0.00 -0.75 0.00 0.00 39.64 37.82 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 0.34 1.21 0.17 0.38 0.00 -1.26 -4.93 119.74 115.64 1ckr s LYS 413 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 55.97 55.18 1ckr s LYS 413 Cb 0.00 0.53 -0.08 0.00 0.00 0.00 0.00 37.83 38.28 1ckr s LYS 413 CO 0.00 -0.53 1.33 0.50 0.00 0.00 0.00 175.35 176.65 1ckr s ARG 414 N -3.59 4.37 -1.16 1.78 3.52 -1.26 -3.30 118.95 119.30 1ckr s ARG 414 Ca 0.03 2.05 -0.09 0.00 -0.13 0.00 0.00 55.73 57.59 1ckr s ARG 414 Cb -0.01 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 1ckr s ARG 414 CO -0.10 -0.31 0.83 0.09 -0.81 0.00 0.00 175.30 174.99 1ckr n ASN 415 N 3.11 -4.46 -4.70 -2.12 3.02 -0.77 -4.98 115.26 104.37 1ckr n ASN 415 Ca 0.08 -0.83 -0.40 0.00 -0.03 0.00 0.00 54.58 53.39 1ckr n ASN 415 Cb 0.43 -4.30 -0.04 0.00 -0.61 0.00 0.00 39.78 35.25 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 -3.49 4.98 -0.96 3.41 -1.32 -1.01 -4.83 115.64 112.43 1ckr s THR 416 Ca 0.31 1.56 -0.24 0.00 -1.21 0.00 0.00 61.69 62.12 1ckr s THR 416 Cb -0.08 -4.10 -0.03 0.00 -1.51 0.00 0.00 72.50 66.79 1ckr s THR 416 CO 0.80 0.18 1.85 -0.89 -2.21 0.00 0.00 174.62 174.35 1ckr s THR 417 N 1.19 3.56 0.49 5.08 2.01 -1.26 -1.70 115.64 125.00 1ckr s THR 417 Ca 0.39 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 61.69 1ckr s THR 417 Cb -0.18 -4.28 -0.09 0.00 0.01 0.00 0.00 72.50 67.96 1ckr s THR 417 CO 0.18 -1.16 0.97 0.27 -0.69 0.00 0.00 174.62 174.19 1ckr s ILE 418 N 9.05 4.48 0.61 1.82 -4.36 -0.77 -4.55 121.20 127.48 1ckr s ILE 418 Ca 0.65 1.31 -0.18 0.00 -0.26 0.00 0.00 60.65 62.18 1ckr s ILE 418 Cb -0.05 -3.68 -0.03 0.00 1.25 0.00 0.00 42.46 39.96 1ckr s ILE 418 CO -0.01 -0.56 1.16 -2.16 0.24 0.00 0.00 174.94 173.60 1ckr s PRO 419 N -3.76 2.96 -0.21 0.37 0.04 -1.26 -4.66 135.00 128.47 1ckr s PRO 419 Ca 0.60 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 63.13 1ckr s PRO 419 Cb -0.10 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1ckr s PRO 419 CO 0.25 -1.17 0.54 -0.08 0.04 0.00 0.00 177.00 176.58 1ckr s THR 420 N -1.89 -0.01 -0.55 1.26 -1.32 -0.97 -4.97 115.64 107.19 1ckr s THR 420 Ca 0.73 0.04 -0.08 0.00 -1.21 0.00 0.00 61.69 61.17 1ckr s THR 420 Cb -0.25 -0.77 0.14 0.00 -1.51 0.00 0.00 72.50 70.10 1ckr s THR 420 CO 0.35 0.01 0.41 -0.75 -2.21 0.00 0.00 174.62 172.43 1ckr s LYS 421 N 1.11 2.60 -0.22 7.08 2.20 -1.25 -0.92 119.74 130.34 1ckr s LYS 421 Ca -0.07 -2.05 -0.06 0.00 -0.36 0.00 0.00 55.97 53.43 1ckr s LYS 421 Cb -0.06 -3.91 -0.03 0.00 -1.51 0.00 0.00 37.83 32.33 1ckr s LYS 421 CO -0.10 -1.19 0.03 -0.65 -0.36 0.00 0.00 175.35 173.07 1ckr s GLN 422 N 0.83 3.63 -0.46 4.03 -0.21 -0.61 -4.92 119.66 121.95 1ckr s GLN 422 Ca 0.10 -0.50 -0.12 0.00 0.02 0.00 0.00 55.36 54.87 1ckr s GLN 422 Cb -0.22 -3.19 0.09 0.00 1.00 0.00 0.00 33.01 30.69 1ckr s GLN 422 CO -0.03 -0.08 0.35 0.95 -2.12 0.00 0.00 175.29 174.36 1ckr s THR 423 N 1.27 4.59 -0.33 -0.19 -4.23 -1.26 -0.71 115.64 114.78 1ckr s THR 423 Ca 0.04 -1.43 -0.11 0.00 -1.18 0.00 0.00 61.69 59.00 1ckr s THR 423 Cb -0.15 -3.87 -0.01 0.00 1.34 0.00 0.00 72.50 69.82 1ckr s THR 423 CO 0.02 -0.64 0.20 -1.58 -0.54 0.00 0.00 174.62 172.08 1ckr s GLN 424 N 1.48 3.33 -0.25 3.99 2.00 -1.04 -4.98 119.66 124.20 1ckr s GLN 424 Ca 0.04 -0.74 -0.25 0.00 -2.00 0.00 0.00 55.36 52.41 1ckr s GLN 424 Cb -0.25 -3.70 -0.00 0.00 0.80 0.00 0.00 33.01 29.85 1ckr s GLN 424 CO 0.03 -0.48 0.84 0.99 -0.50 0.00 0.00 175.29 176.17 1ckr s THR 425 N 1.66 4.82 0.16 -0.34 2.01 -1.26 -1.13 115.64 121.55 1ckr s THR 425 Ca 0.05 1.56 0.04 0.00 0.31 0.00 0.00 61.69 63.65 1ckr s THR 425 Cb -0.18 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 1ckr s THR 425 CO 0.08 -0.10 0.21 -0.36 -0.69 0.00 0.00 174.62 173.76 1ckr s PHE 426 N 2.88 3.31 0.00 4.92 0.40 0.85 -4.97 117.98 125.37 1ckr s PHE 426 Ca 0.35 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.73 1ckr s PHE 426 Cb -0.15 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.80 1ckr s PHE 426 CO 0.08 0.52 0.00 -2.37 0.70 0.00 0.00 175.22 174.14 1ckr n THR 427 N -0.46 0.00 -3.97 0.64 5.66 0.54 -0.21 114.28 116.48 1ckr n THR 427 Ca -0.08 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.80 1ckr n THR 427 Cb 0.54 -0.19 -0.13 0.00 -1.55 0.00 0.00 70.33 69.00 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 2.29 0.16 -0.02 1.09 -4.23 -0.94 -4.22 115.64 109.78 1ckr s THR 428 Ca 0.00 -0.30 0.12 0.00 -1.18 0.00 0.00 61.69 60.32 1ckr s THR 428 Cb 0.00 -0.18 -0.18 0.00 1.34 0.00 0.00 72.50 73.48 1ckr s THR 428 CO 0.00 -0.09 0.96 0.22 -0.54 0.00 0.00 174.62 175.16 1ckr h TYR 429 N 5.71 0.00 -3.12 3.99 3.20 -1.93 -2.38 116.97 122.45 1ckr h TYR 429 Ca -0.27 0.00 -0.59 0.00 3.14 0.00 0.00 58.73 61.01 1ckr h TYR 429 Cb 1.21 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.43 1ckr h TYR 429 CO 0.47 0.88 -0.14 -1.12 -1.64 0.00 0.00 178.16 176.61 1ckr s SER 430 N -6.27 6.87 0.05 -2.11 0.01 -1.26 -4.78 113.70 106.21 1ckr s SER 430 Ca -0.02 1.05 -0.31 0.00 1.31 0.00 0.00 55.95 57.99 1ckr s SER 430 Cb 0.09 -2.28 -0.08 0.00 0.21 0.00 0.00 66.02 63.96 1ckr s SER 430 CO 0.81 0.27 1.57 1.51 0.41 0.00 0.00 173.24 177.82 1ckr s ASP 431 N -1.23 6.68 -0.17 2.44 -4.77 -1.26 -4.33 116.67 114.03 1ckr s ASP 431 Ca 0.28 2.38 -0.02 0.00 -3.30 0.00 0.00 52.55 51.89 1ckr s ASP 431 Cb -0.17 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 1ckr s ASP 431 CO 0.16 -0.83 0.06 0.59 0.70 0.00 0.00 175.17 175.85 1ckr n ASN 432 N 5.46 -5.01 -2.47 2.11 3.02 -0.52 -4.90 115.26 112.96 1ckr n ASN 432 Ca 0.15 0.63 -0.05 0.00 -0.03 0.00 0.00 54.58 55.28 1ckr n ASN 432 Cb 0.41 -3.18 -0.04 0.00 -0.61 0.00 0.00 39.78 36.36 1ckr n ASN 432 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1ckr n GLN 433 N 0.20 -4.32 -0.07 3.52 7.27 -1.26 -4.91 117.38 117.81 1ckr n GLN 433 Ca 0.01 3.27 -0.04 0.00 0.07 0.00 0.00 57.00 60.31 1ckr n GLN 433 Cb 0.05 -4.70 -0.02 0.00 2.41 0.00 0.00 30.24 27.98 1ckr n GLN 433 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1ckr h PRO 434 N 3.77 0.00 -0.13 3.69 0.11 -1.92 -3.48 132.00 134.04 1ckr h PRO 434 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ckr h PRO 434 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ckr h PRO 434 CO 0.01 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.25 1ckr n GLY 435 N 1.65 0.29 3.18 -0.55 0.00 -1.26 -4.99 105.19 103.51 1ckr n GLY 435 Ca -0.06 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.11 1.91 -0.60 1.61 -7.23 0.11 -4.98 120.40 111.11 1ckr s VAL 436 Ca 0.00 -0.93 -0.24 0.00 -1.81 0.00 0.00 61.98 59.01 1ckr s VAL 436 Cb 0.00 -1.67 0.05 0.00 0.56 0.00 0.00 36.38 35.32 1ckr s VAL 436 CO 0.00 0.53 0.97 -0.22 -0.31 0.00 0.00 175.10 176.07 1ckr s LEU 437 N 0.48 4.15 -0.07 1.32 2.96 -1.26 -0.72 118.68 125.54 1ckr s LEU 437 Ca -0.16 -0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 53.02 1ckr s LEU 437 Cb -0.17 -2.66 -0.05 0.00 0.50 0.00 0.00 46.19 43.81 1ckr s LEU 437 CO 0.06 -1.34 0.33 -0.63 -1.32 0.00 0.00 176.35 173.44 1ckr s ILE 438 N 4.10 5.21 -0.14 6.68 -1.09 0.07 -4.69 121.20 131.34 1ckr s ILE 438 Ca 0.27 0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 59.32 1ckr s ILE 438 Cb -0.14 -3.63 0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1ckr s ILE 438 CO 0.16 0.53 -0.01 -1.10 -1.23 0.00 0.00 174.94 173.28 1ckr s GLN 439 N -0.63 0.97 0.16 2.79 -0.21 -1.23 -1.01 119.66 120.50 1ckr s GLN 439 Ca 0.20 -0.25 -0.23 0.00 0.02 0.00 0.00 55.36 55.10 1ckr s GLN 439 Cb -0.15 -1.64 -0.08 0.00 1.00 0.00 0.00 33.01 32.15 1ckr s GLN 439 CO 0.09 -0.42 0.72 0.08 -2.12 0.00 0.00 175.29 173.64 1ckr s VAL 440 N 1.81 4.49 -0.09 1.09 1.01 -1.15 0.75 120.40 128.31 1ckr s VAL 440 Ca 0.02 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.56 1ckr s VAL 440 Cb -0.14 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1ckr s VAL 440 CO -0.07 0.47 -0.23 -0.31 0.00 0.00 0.00 175.10 174.96 1ckr s TYR 441 N -1.22 2.56 -0.56 5.22 1.51 -0.73 -1.22 117.35 122.91 1ckr s TYR 441 Ca 0.36 -0.90 -0.09 0.00 -1.01 0.00 0.00 57.07 55.43 1ckr s TYR 441 Cb -0.21 -1.69 0.14 0.00 -0.11 0.00 0.00 41.96 40.09 1ckr s TYR 441 CO 0.24 -0.33 0.43 -2.00 -1.11 0.00 0.00 175.55 172.78 1ckr s GLU 442 N 0.19 2.67 0.00 -0.62 2.12 0.19 -1.14 118.70 122.11 1ckr s GLU 442 Ca -0.13 -2.05 0.00 0.00 0.36 0.00 0.00 54.97 53.15 1ckr s GLU 442 Cb -0.17 -3.96 0.00 0.00 0.26 0.00 0.00 34.13 30.26 1ckr s GLU 442 CO 0.07 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.00 1ckr n GLY 443 N 4.45 3.81 2.70 -1.50 0.00 -1.04 -1.05 105.19 112.56 1ckr n GLY 443 Ca -0.01 -1.59 -0.05 0.00 0.00 0.00 0.00 46.02 44.38 1ckr n GLY 443 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ckr n GLU 444 N -1.32 0.31 0.00 1.61 2.13 -1.26 -4.78 120.64 117.33 1ckr n GLU 444 Ca 0.00 -1.17 0.00 0.00 0.66 0.00 0.00 57.16 56.65 1ckr n GLU 444 Cb 0.00 -0.55 0.00 0.00 0.27 0.00 0.00 31.44 31.16 1ckr n GLU 444 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1ckr n ARG 445 N 2.21 2.94 -3.01 5.31 0.63 -1.26 -3.32 116.66 120.16 1ckr n ARG 445 Ca 0.10 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.59 1ckr n ARG 445 Cb 0.64 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.55 1ckr n ARG 445 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ckr n ALA 446 N -3.00 4.11 -3.35 5.13 0.00 -1.26 -4.54 120.51 117.61 1ckr n ALA 446 Ca 0.00 -4.38 0.00 0.00 0.00 0.00 0.00 53.44 49.06 1ckr n ALA 446 Cb 0.00 -2.87 0.01 0.00 0.00 0.00 0.00 19.45 16.59 1ckr n ALA 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckr n MET 447 N 4.61 0.45 -3.16 0.00 3.85 -1.26 -4.69 117.12 116.92 1ckr n MET 447 Ca 0.33 -0.90 -0.24 0.00 -1.00 0.00 0.00 57.70 55.89 1ckr n MET 447 Cb 0.41 1.14 -0.05 0.00 -1.05 0.00 0.00 33.22 33.67 1ckr n MET 447 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1ckr n THR 448 N -0.24 1.34 0.00 3.17 -2.24 -1.22 -2.73 114.28 112.36 1ckr n THR 448 Ca -0.03 -4.94 0.00 0.00 -2.27 0.00 0.00 64.05 56.81 1ckr n THR 448 Cb 0.25 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 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 0.46 0.00 -2.99 -0.78 4.81 -1.26 -5.04 118.16 113.36 1ckr n LYS 449 Ca 0.27 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.55 1ckr n LYS 449 Cb 0.49 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.54 1ckr n LYS 449 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ckr n ASP 450 N 0.00 -1.05 0.00 3.14 2.03 -1.26 -5.08 116.55 114.33 1ckr n ASP 450 Ca 0.00 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.25 1ckr n ASP 450 Cb 0.00 0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1ckr n ASP 450 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ckr n ASN 451 N 1.21 0.00 -3.79 1.67 3.02 -1.26 -4.99 115.26 111.12 1ckr n ASN 451 Ca 0.16 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.42 1ckr n ASN 451 Cb 0.60 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.62 1ckr n ASN 451 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1ckr s ASN 452 N 0.84 3.70 -0.21 6.41 0.01 -0.21 -4.97 114.94 120.50 1ckr s ASN 452 Ca 0.00 -1.32 -0.29 0.00 -0.71 0.00 0.00 52.86 50.54 1ckr s ASN 452 Cb 0.00 -0.89 -0.02 0.00 0.41 0.00 0.00 41.25 40.75 1ckr s ASN 452 CO 0.00 -0.34 1.44 -0.22 -1.51 0.00 0.00 177.10 176.47 1ckr s LEU 453 N 1.60 4.01 -0.20 0.60 0.20 -1.26 -0.63 118.68 123.00 1ckr s LEU 453 Ca 0.03 1.59 0.01 0.00 0.69 0.00 0.00 54.13 56.45 1ckr s LEU 453 Cb -0.18 -3.54 0.05 0.00 -0.43 0.00 0.00 46.19 42.09 1ckr s LEU 453 CO -0.15 -1.05 -0.09 -0.76 -0.29 0.00 0.00 176.35 174.01 1ckr s LEU 454 N 4.42 2.30 0.00 -0.68 1.02 -0.36 -4.99 118.68 120.39 1ckr s LEU 454 Ca 0.63 -0.93 0.00 0.00 0.02 0.00 0.00 54.13 53.86 1ckr s LEU 454 Cb -0.23 -1.21 0.00 0.00 0.02 0.00 0.00 46.19 44.78 1ckr s LEU 454 CO 0.24 -0.16 0.00 0.61 0.02 0.00 0.00 176.35 177.06 1ckr n GLY 455 N 4.69 2.11 1.78 -3.19 0.00 -1.26 -2.92 105.19 106.40 1ckr n GLY 455 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ckr n GLY 455 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ckr n LYS 456 N 0.00 -4.97 -3.88 1.61 2.85 -1.26 -4.94 118.16 107.57 1ckr n LYS 456 Ca 0.00 3.67 -0.10 0.00 -1.05 0.00 0.00 58.31 60.83 1ckr n LYS 456 Cb 0.00 -4.12 -0.09 0.00 -0.65 0.00 0.00 35.03 30.17 1ckr n LYS 456 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 1ckr s PHE 457 N -3.12 0.11 -0.29 5.58 -0.71 -0.18 -5.01 117.98 114.37 1ckr s PHE 457 Ca 0.00 -0.36 -0.08 0.00 -1.04 0.00 0.00 56.93 55.45 1ckr s PHE 457 Cb 0.00 -0.07 -0.01 0.00 -1.21 0.00 0.00 43.02 41.73 1ckr s PHE 457 CO 0.00 -0.40 0.10 -2.00 -1.34 0.00 0.00 175.22 171.58 1ckr s GLU 458 N -2.57 3.31 -0.16 1.99 2.12 -1.26 -0.75 118.70 121.37 1ckr s GLU 458 Ca -0.05 -0.72 -0.07 0.00 0.36 0.00 0.00 54.97 54.49 1ckr s GLU 458 Cb -0.01 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1ckr s GLU 458 CO -0.04 -0.38 0.06 -1.17 -0.54 0.00 0.00 175.26 173.19 1ckr s LEU 459 N 1.57 3.81 0.03 2.70 1.98 0.10 -4.97 118.68 123.90 1ckr s LEU 459 Ca 0.04 0.11 -0.10 0.00 -2.89 0.00 0.00 54.13 51.29 1ckr s LEU 459 Cb -0.17 -1.95 0.01 0.00 0.66 0.00 0.00 46.19 44.74 1ckr s LEU 459 CO 0.04 0.22 0.21 0.42 -1.89 0.00 0.00 176.35 175.35 1ckr s THR 460 N 0.09 0.10 0.00 3.68 -4.23 -1.26 0.06 115.64 114.08 1ckr s THR 460 Ca 0.05 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1ckr s THR 460 Cb -0.12 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 72.92 1ckr s THR 460 CO 0.01 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1ckr n GLY 461 N 0.87 0.39 3.85 3.99 0.00 -1.26 -5.06 105.19 107.97 1ckr n GLY 461 Ca -0.20 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 4.80 -0.15 -0.61 -1.09 -1.26 -4.89 121.20 118.01 1ckr s ILE 462 Ca 0.00 0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 58.94 1ckr s ILE 462 Cb 0.00 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1ckr s ILE 462 CO 0.00 0.07 1.66 -2.16 -1.23 0.00 0.00 174.94 173.27 1ckr s PRO 463 N -2.40 3.93 -0.96 2.79 0.04 -1.26 -4.65 135.00 132.49 1ckr s PRO 463 Ca 0.44 1.90 -0.23 0.00 0.04 0.00 0.00 61.00 63.15 1ckr s PRO 463 Cb -0.13 -4.03 0.05 0.00 0.04 0.00 0.00 34.50 30.43 1ckr s PRO 463 CO 0.20 -1.14 1.39 -1.25 0.04 0.00 0.00 177.00 176.24 1ckr s PRO 464 N 4.47 3.52 0.50 0.56 0.04 -1.26 -4.44 135.00 138.40 1ckr s PRO 464 Ca 0.73 -1.02 0.06 0.00 0.04 0.00 0.00 61.00 60.81 1ckr s PRO 464 Cb -0.29 -5.13 0.02 0.00 0.04 0.00 0.00 34.50 29.14 1ckr s PRO 464 CO 0.29 -2.16 0.37 0.00 0.04 0.00 0.00 177.00 175.54 1ckr s ALA 465 N 4.92 4.26 0.67 8.56 0.00 -1.26 -4.82 121.76 134.09 1ckr s ALA 465 Ca 0.43 -1.47 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 1ckr s ALA 465 Cb -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1ckr s ALA 465 CO -0.06 -0.37 1.07 -2.14 0.00 0.00 0.00 175.76 174.26 1ckr s PRO 466 N -4.20 2.94 -0.28 0.00 0.02 -1.26 -1.43 135.00 130.78 1ckr s PRO 466 Ca 0.37 1.11 -0.34 0.00 0.02 0.00 0.00 61.00 62.17 1ckr s PRO 466 Cb -0.02 -1.98 -0.15 0.00 0.02 0.00 0.00 34.50 32.37 1ckr s PRO 466 CO 0.22 -1.11 1.10 -2.13 -0.33 0.00 0.00 177.00 174.75 1ckr n ARG 467 N -2.76 0.00 -0.85 5.54 0.63 -1.26 -1.01 116.66 116.95 1ckr n ARG 467 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1ckr n ARG 467 Cb 0.53 -1.12 0.00 0.00 0.45 0.00 0.00 32.46 32.32 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 2.52 1.29 0.14 5.14 0.00 -0.90 -4.93 105.19 108.46 1ckr n GLY 468 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 1ckr n GLY 468 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ckr n VAL 469 N -2.00 1.28 -1.74 1.61 0.31 -0.18 -4.71 118.33 112.90 1ckr n VAL 469 Ca 0.00 -0.46 -0.42 0.00 -0.01 0.00 0.00 64.34 63.45 1ckr n VAL 469 Cb 0.00 -1.39 -0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1ckr n VAL 469 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1ckr n PRO 470 N -3.32 2.38 -3.63 5.55 -0.02 -1.26 -4.89 135.00 129.82 1ckr n PRO 470 Ca -0.41 0.84 -0.11 0.00 -2.02 0.00 0.00 63.50 61.80 1ckr n PRO 470 Cb 0.90 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1ckr n PRO 470 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1ckr s GLN 471 N -2.02 1.04 -0.04 -0.52 -2.07 -1.26 -2.20 119.66 112.59 1ckr s GLN 471 Ca 0.55 -0.60 -0.01 0.00 -1.82 0.00 0.00 55.36 53.47 1ckr s GLN 471 Cb -0.52 0.46 0.03 0.00 -1.09 0.00 0.00 33.01 31.90 1ckr s GLN 471 CO 0.63 -0.40 0.08 0.96 -1.32 0.00 0.00 175.29 175.24 1ckr s ILE 472 N -3.45 -0.06 -0.56 3.63 -0.00 0.71 -4.41 121.20 117.06 1ckr s ILE 472 Ca 0.01 0.20 -0.21 0.00 -0.00 0.00 0.00 60.65 60.65 1ckr s ILE 472 Cb 0.01 -0.15 0.06 0.00 -0.00 0.00 0.00 42.46 42.38 1ckr s ILE 472 CO -0.09 0.08 0.80 -0.70 -0.00 0.00 0.00 174.94 175.03 1ckr s GLU 473 N 1.13 3.18 -0.87 0.37 2.12 0.89 -0.11 118.70 125.42 1ckr s GLU 473 Ca -0.09 -0.72 -0.25 0.00 0.36 0.00 0.00 54.97 54.27 1ckr s GLU 473 Cb -0.12 -4.12 0.04 0.00 0.26 0.00 0.00 34.13 30.18 1ckr s GLU 473 CO -0.04 -1.45 1.38 0.08 -0.54 0.00 0.00 175.26 174.69 1ckr s VAL 474 N 3.34 3.80 -0.23 3.70 1.01 -0.28 -0.88 120.40 130.86 1ckr s VAL 474 Ca 0.21 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 1ckr s VAL 474 Cb -0.17 -4.95 -0.04 0.00 0.00 0.00 0.00 36.38 31.22 1ckr s VAL 474 CO 0.13 -1.86 0.34 -0.89 0.00 0.00 0.00 175.10 172.82 1ckr s THR 475 N 5.54 5.23 -0.50 3.92 2.01 0.62 -2.48 115.64 129.98 1ckr s THR 475 Ca 0.41 0.55 -0.09 0.00 0.31 0.00 0.00 61.69 62.87 1ckr s THR 475 Cb -0.04 -3.67 0.13 0.00 0.01 0.00 0.00 72.50 68.93 1ckr s THR 475 CO 0.03 0.25 0.37 -0.36 -0.69 0.00 0.00 174.62 174.22 1ckr s PHE 476 N 1.43 3.45 -0.79 4.92 0.40 0.11 0.07 117.98 127.57 1ckr s PHE 476 Ca 0.15 -1.97 -0.13 0.00 -0.60 0.00 0.00 56.93 54.39 1ckr s PHE 476 Cb -0.15 -3.49 0.21 0.00 0.51 0.00 0.00 43.02 40.11 1ckr s PHE 476 CO 0.08 -0.98 0.72 0.34 0.70 0.00 0.00 175.22 176.07 1ckr s ASP 477 N 2.48 6.58 0.01 1.36 2.15 -0.67 -1.57 116.67 127.00 1ckr s ASP 477 Ca 0.07 -2.65 -0.22 0.00 0.43 0.00 0.00 52.55 50.18 1ckr s ASP 477 Cb -0.25 -2.17 -0.05 0.00 -0.30 0.00 0.00 42.92 40.14 1ckr s ASP 477 CO -0.01 -0.57 0.65 -0.63 -0.17 0.00 0.00 175.17 174.44 1ckr s ILE 478 N 0.23 4.86 0.38 4.11 1.01 -0.10 -1.04 121.20 130.64 1ckr s ILE 478 Ca 0.17 1.37 -0.08 0.00 0.00 0.00 0.00 60.65 62.11 1ckr s ILE 478 Cb -0.12 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.30 1ckr s ILE 478 CO -0.08 0.39 0.70 -0.62 0.00 0.00 0.00 174.94 175.34 1ckr s ASP 479 N -0.11 6.46 0.55 3.58 2.15 0.72 -2.30 116.67 127.71 1ckr s ASP 479 Ca 0.34 0.96 0.35 0.00 0.43 0.00 0.00 52.55 54.63 1ckr s ASP 479 Cb -0.19 -2.25 1.53 0.00 -0.30 0.00 0.00 42.92 41.71 1ckr s ASP 479 CO 0.19 -0.36 1.82 0.00 -0.17 0.00 0.00 175.17 176.65 1ckr h ALA 480 N 1.25 3.03 -0.02 3.66 0.00 -1.88 -1.07 119.26 124.22 1ckr h ALA 480 Ca -0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1ckr h ALA 480 Cb 1.19 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ckr h ALA 480 CO 0.64 -1.37 0.01 0.09 0.00 0.00 0.00 179.25 178.62 1ckr n ASN 481 N -4.16 1.89 -3.77 0.00 3.02 -1.26 -4.86 115.26 106.13 1ckr n ASN 481 Ca 0.23 -2.04 -0.27 0.00 -0.03 0.00 0.00 54.58 52.47 1ckr n ASN 481 Cb 1.17 -0.51 0.05 0.00 -0.61 0.00 0.00 39.78 39.89 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 -0.52 3.31 7.41 0.00 -0.42 -4.71 105.19 110.44 1ckr n GLY 482 Ca 0.01 0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.31 3.78 -0.45 -0.61 1.01 -1.11 -4.26 121.20 116.24 1ckr s ILE 483 Ca 0.63 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 60.22 1ckr s ILE 483 Cb -0.30 -2.99 0.03 0.00 0.01 0.00 0.00 42.46 39.21 1ckr s ILE 483 CO 0.78 0.03 0.72 -0.22 0.00 0.00 0.00 174.94 176.26 1ckr s LEU 484 N 1.45 4.40 -0.85 2.97 2.96 -0.90 -0.20 118.68 128.51 1ckr s LEU 484 Ca 0.01 -0.28 -0.20 0.00 -0.22 0.00 0.00 54.13 53.44 1ckr s LEU 484 Cb -0.18 -2.82 0.11 0.00 0.50 0.00 0.00 46.19 43.80 1ckr s LEU 484 CO 0.02 -0.88 1.09 0.20 -1.32 0.00 0.00 176.35 175.46 1ckr s ASN 485 N 2.15 6.48 -0.27 3.68 0.01 -0.20 -0.71 114.94 126.07 1ckr s ASN 485 Ca 0.26 -1.69 -0.21 0.00 -0.71 0.00 0.00 52.86 50.51 1ckr s ASN 485 Cb -0.13 -2.41 -0.01 0.00 0.41 0.00 0.00 41.25 39.10 1ckr s ASN 485 CO 0.20 -1.20 0.67 -0.69 -1.51 0.00 0.00 177.10 174.57 1ckr s VAL 486 N 3.24 4.93 -0.25 1.60 1.01 0.09 -1.68 120.40 129.35 1ckr s VAL 486 Ca 0.30 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.42 1ckr s VAL 486 Cb -0.08 -4.00 0.06 0.00 0.00 0.00 0.00 36.38 32.36 1ckr s VAL 486 CO -0.04 -0.06 -0.10 -0.55 0.00 0.00 0.00 175.10 174.36 1ckr s SER 487 N 1.52 4.19 -0.22 3.32 0.15 0.11 -1.64 113.70 121.12 1ckr s SER 487 Ca 0.28 -1.29 -0.23 0.00 0.70 0.00 0.00 55.95 55.41 1ckr s SER 487 Cb -0.15 -1.44 -0.01 0.00 -1.71 0.00 0.00 66.02 62.70 1ckr s SER 487 CO 0.10 -0.19 0.73 0.00 1.20 0.00 0.00 173.24 175.07 1ckr s ALA 488 N 1.20 3.59 -0.20 5.45 0.00 -1.04 -0.28 121.76 130.49 1ckr s ALA 488 Ca -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 1ckr s ALA 488 Cb -0.19 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1ckr s ALA 488 CO -0.06 -0.77 -0.13 0.08 0.00 0.00 0.00 175.76 174.89 1ckr s VAL 489 N 2.43 2.65 -1.18 0.00 1.01 -0.06 -2.73 120.40 122.52 1ckr s VAL 489 Ca 0.32 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 1ckr s VAL 489 Cb -0.16 -2.16 0.08 0.00 0.00 0.00 0.00 36.38 34.14 1ckr s VAL 489 CO 0.09 0.49 1.57 -1.81 0.00 0.00 0.00 175.10 175.44 1ckr s ASP 490 N 1.36 6.75 0.11 3.32 1.01 0.11 -0.08 116.67 129.26 1ckr s ASP 490 Ca 0.05 -2.19 -0.15 0.00 0.71 0.00 0.00 52.55 50.97 1ckr s ASP 490 Cb -0.14 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.20 1ckr s ASP 490 CO -0.08 -1.21 1.49 0.50 0.21 0.00 0.00 175.17 176.08 1ckr h LYS 491 N 8.27 0.69 -0.39 8.23 3.64 -1.81 0.16 116.57 135.36 1ckr h LYS 491 Ca 0.34 -0.29 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1ckr h LYS 491 Cb 0.92 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1ckr h LYS 491 CO 1.40 0.88 0.26 0.77 -2.27 0.00 0.00 179.45 180.48 1ckr h SER 492 N 0.47 0.34 0.76 4.20 0.02 -1.89 -1.11 113.55 116.34 1ckr h SER 492 Ca 0.08 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ckr h SER 492 Cb 0.65 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1ckr h SER 492 CO 0.04 0.23 -0.04 0.41 -1.14 0.00 0.00 176.83 176.33 1ckr n THR 493 N -4.48 0.00 -3.85 -2.27 -1.04 -1.07 -5.02 114.28 96.55 1ckr n THR 493 Ca 0.04 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.74 1ckr n THR 493 Cb 0.17 -0.41 0.01 0.00 -1.82 0.00 0.00 70.33 68.27 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 1.41 -1.10 2.73 3.41 0.00 0.48 -5.01 105.19 107.11 1ckr n GLY 494 Ca 0.10 0.49 -0.20 0.00 0.00 0.00 0.00 46.02 46.41 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 -5.67 0.14 0.07 1.61 2.47 -0.73 -5.00 119.74 112.62 1ckr s LYS 495 Ca 0.15 0.18 0.05 0.00 -1.56 0.00 0.00 55.97 54.80 1ckr s LYS 495 Cb -0.09 -1.24 -0.03 0.00 -1.46 0.00 0.00 37.83 35.01 1ckr s LYS 495 CO 0.88 -0.61 -0.15 -1.83 0.16 0.00 0.00 175.35 173.80 1ckr s GLU 496 N 2.28 0.87 -0.02 4.03 -1.05 -1.26 0.06 118.70 123.61 1ckr s GLU 496 Ca 0.05 -0.94 0.03 0.00 -0.15 0.00 0.00 54.97 53.96 1ckr s GLU 496 Cb -0.15 -0.90 -0.00 0.00 -0.44 0.00 0.00 34.13 32.63 1ckr s GLU 496 CO -0.10 0.21 -0.10 -0.80 0.95 0.00 0.00 175.26 175.41 1ckr s ASN 497 N -1.64 1.22 0.03 0.83 -0.87 -1.11 -5.01 114.94 108.39 1ckr s ASN 497 Ca -0.01 -0.19 0.04 0.00 -1.57 0.00 0.00 52.86 51.14 1ckr s ASN 497 Cb -0.10 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.25 40.87 1ckr s ASN 497 CO 0.02 0.09 -0.12 -1.59 -2.57 0.00 0.00 177.10 172.93 1ckr s LYS 498 N -0.01 0.85 -0.15 -0.60 -2.85 -1.26 -2.49 119.74 113.23 1ckr s LYS 498 Ca 0.00 -0.66 -0.03 0.00 -1.00 0.00 0.00 55.97 54.28 1ckr s LYS 498 Cb -0.06 -0.83 -0.02 0.00 -2.06 0.00 0.00 37.83 34.85 1ckr s LYS 498 CO 0.00 0.21 -0.06 -1.50 0.10 0.00 0.00 175.35 174.10 1ckr s ILE 499 N -0.76 3.71 -0.50 3.79 2.07 -0.65 -4.94 121.20 123.91 1ckr s ILE 499 Ca 0.01 -0.42 -0.16 0.00 -1.41 0.00 0.00 60.65 58.67 1ckr s ILE 499 Cb -0.07 -2.61 0.09 0.00 0.13 0.00 0.00 42.46 40.00 1ckr s ILE 499 CO 0.01 0.50 0.44 -0.89 -1.91 0.00 0.00 174.94 173.09 1ckr s THR 500 N 0.36 5.22 -0.35 4.00 2.01 -1.26 -0.73 115.64 124.89 1ckr s THR 500 Ca -0.06 -1.22 -0.21 0.00 0.31 0.00 0.00 61.69 60.51 1ckr s THR 500 Cb -0.15 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.15 1ckr s THR 500 CO 0.04 -0.70 0.68 -0.63 -0.69 0.00 0.00 174.62 173.32 1ckr s ILE 501 N 1.64 4.85 0.23 1.82 1.01 0.11 -4.96 121.20 125.90 1ckr s ILE 501 Ca 0.04 0.73 -0.29 0.00 0.00 0.00 0.00 60.65 61.13 1ckr s ILE 501 Cb -0.26 -4.10 -0.09 0.00 0.01 0.00 0.00 42.46 38.02 1ckr s ILE 501 CO 0.05 -0.32 0.90 0.42 0.00 0.00 0.00 174.94 176.00 1ckr s THR 502 N 2.81 4.14 -0.30 2.92 -4.23 -1.26 -2.12 115.64 117.60 1ckr s THR 502 Ca 0.27 2.00 0.02 0.00 -1.18 0.00 0.00 61.69 62.79 1ckr s THR 502 Cb -0.14 -4.28 0.09 0.00 1.34 0.00 0.00 72.50 69.51 1ckr s THR 502 CO 0.15 0.49 0.02 0.21 -0.54 0.00 0.00 174.62 174.95 1ckr s ASN 503 N -1.19 4.35 0.00 3.99 3.84 -1.26 -5.00 114.94 119.67 1ckr s ASN 503 Ca 0.40 -1.72 0.00 0.00 0.21 0.00 0.00 52.86 51.75 1ckr s ASN 503 Cb -0.25 -1.34 0.00 0.00 -0.55 0.00 0.00 41.25 39.10 1ckr s ASN 503 CO 0.31 -0.33 0.63 0.47 -2.79 0.00 0.00 177.10 175.39 1ckr n ASP 504 N 4.50 0.00 -1.89 -4.21 8.00 -1.26 -4.84 116.55 116.85 1ckr n ASP 504 Ca -0.03 0.19 -0.01 0.00 0.71 0.00 0.00 54.79 55.65 1ckr n ASP 504 Cb 0.43 -0.19 0.01 0.00 -0.02 0.00 0.00 41.12 41.34 1ckr n ASP 504 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ckr n LYS 505 N -1.13 -0.38 0.00 -1.24 5.02 -1.26 -5.04 118.16 114.12 1ckr n LYS 505 Ca 0.00 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1ckr n LYS 505 Cb 0.19 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 1ckr n LYS 505 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ckr n GLY 506 N -1.26 2.05 0.00 0.72 0.00 -1.26 -5.13 105.19 100.30 1ckr n GLY 506 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -0.12 1.61 1.74 -1.26 -5.01 116.66 113.63 1ckr n ARG 506 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1ckr n ARG 506 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1ckr n ARG 506 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1ckr n LEU 507 N -0.57 -0.29 0.00 0.55 -0.00 -1.26 -4.90 117.00 110.53 1ckr n LEU 507 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 56.01 56.85 1ckr n LEU 507 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 1ckr n LEU 507 CO 0.00 -0.58 0.00 -0.24 -0.00 0.00 0.00 177.39 176.57 1ckr n SER 508 N -3.58 0.00 -0.37 1.45 2.88 -1.26 -2.62 113.62 110.12 1ckr n SER 508 Ca 0.01 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.59 1ckr n SER 508 Cb 0.07 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.73 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 1.09 0.07 -1.46 -0.00 -2.00 -2.79 116.57 111.48 1ckr h LYS 509 Ca 0.00 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.65 60.58 1ckr h LYS 509 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 32.23 31.98 1ckr h LYS 509 CO 0.00 0.72 -0.03 1.05 -0.00 0.00 0.00 179.45 181.19 1ckr h GLU 510 N 1.12 -0.09 -0.06 0.07 4.11 -1.95 -2.73 114.58 115.05 1ckr h GLU 510 Ca 0.45 0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.86 1ckr h GLU 510 Cb 0.26 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ckr h GLU 510 CO -0.20 0.36 -0.06 -0.44 0.07 0.00 0.00 179.01 178.74 1ckr h ASP 511 N -0.57 0.16 0.05 3.06 3.32 -1.56 -2.72 116.42 118.15 1ckr h ASP 511 Ca -0.01 -0.48 0.01 0.00 0.02 0.00 0.00 57.03 56.56 1ckr h ASP 511 Cb 0.49 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1ckr h ASP 511 CO 0.02 0.61 -0.07 0.40 -1.72 0.00 0.00 179.24 178.48 1ckr h ILE 512 N -0.28 0.83 -0.77 0.35 5.03 -1.65 -1.64 117.51 119.38 1ckr h ILE 512 Ca 0.01 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.80 1ckr h ILE 512 Cb 0.57 0.83 -0.05 0.00 -3.03 0.00 0.00 36.82 35.14 1ckr h ILE 512 CO 0.02 0.00 0.47 -0.08 -0.68 0.00 0.00 178.15 177.87 1ckr h GLU 513 N -0.14 0.85 0.27 2.37 4.81 -1.60 -1.90 114.58 119.24 1ckr h GLU 513 Ca 0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1ckr h GLU 513 Cb 0.15 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1ckr h GLU 513 CO -0.04 0.56 -0.13 0.07 -0.73 0.00 0.00 179.01 178.74 1ckr h ARG 514 N 0.87 -0.36 0.00 1.92 0.11 -1.39 -3.41 114.38 112.13 1ckr h ARG 514 Ca 0.33 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.43 1ckr h ARG 514 Cb 0.12 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1ckr h ARG 514 CO -0.15 -0.11 -0.17 0.00 0.10 0.00 0.00 179.97 179.64 1ckr h MET 515 N -0.57 0.00 -1.94 0.08 -0.00 -1.30 -3.40 114.93 107.80 1ckr h MET 515 Ca -0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.55 1ckr h MET 515 Cb 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.97 1ckr h MET 515 CO 0.06 0.00 -0.03 1.33 -0.00 0.00 0.00 176.91 178.28 1ckr n VAL 516 N -4.54 2.41 0.00 -0.10 0.24 -0.72 -1.17 118.33 114.45 1ckr n VAL 516 Ca -0.02 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.26 1ckr n VAL 516 Cb 0.09 -1.61 0.00 0.00 -1.47 0.00 0.00 33.84 30.85 1ckr n VAL 516 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ckr n GLN 517 N 1.58 0.00 0.00 7.34 6.02 -1.26 -4.44 117.38 126.61 1ckr n GLN 517 Ca 0.17 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.30 1ckr n GLN 517 Cb 0.62 -0.77 0.52 0.00 1.02 0.00 0.00 30.24 31.62 1ckr n GLN 517 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1ckr n GLU 518 N -2.52 0.89 0.00 -1.09 0.28 -0.32 -4.18 120.64 113.70 1ckr n GLU 518 Ca 0.00 -0.43 0.00 0.00 -0.16 0.00 0.00 57.16 56.57 1ckr n GLU 518 Cb 0.42 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.80 1ckr n GLU 518 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ckr n ALA 519 N -0.68 0.07 -0.33 -1.84 0.00 -0.45 -4.38 120.51 112.90 1ckr n ALA 519 Ca 0.15 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.78 1ckr n ALA 519 Cb 0.31 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.16 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 0.36 0.00 0.00 -0.00 -1.77 -1.39 114.58 111.78 1ckr h GLU 520 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1ckr h GLU 520 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 28.67 1ckr h GLU 520 CO 0.00 0.24 0.00 1.17 -0.00 0.00 0.00 179.01 180.42 1ckr n LYS 521 N -5.04 0.00 0.09 1.06 0.00 -1.26 -2.67 118.16 110.34 1ckr n LYS 521 Ca 0.28 0.24 0.06 0.00 0.00 0.00 0.00 58.31 58.89 1ckr n LYS 521 Cb 0.84 -1.17 0.31 0.00 0.00 0.00 0.00 35.03 35.01 1ckr n LYS 521 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1ckr n TYR 522 N -1.11 0.39 -0.05 5.64 4.19 -0.93 -2.23 117.16 123.05 1ckr n TYR 522 Ca 0.00 0.20 -0.03 0.00 3.31 0.00 0.00 57.90 61.38 1ckr n TYR 522 Cb 0.00 -0.80 -0.01 0.00 0.49 0.00 0.00 39.34 39.03 1ckr n TYR 522 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 1ckr h LYS 523 N 0.00 0.00 0.00 2.98 3.64 -1.36 0.16 116.57 121.99 1ckr h LYS 523 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ckr h LYS 523 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1ckr h LYS 523 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 1ckr n ALA 524 N -3.15 1.22 0.05 5.00 0.00 -1.09 -0.32 120.51 122.23 1ckr n ALA 524 Ca -0.04 0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.48 1ckr n ALA 524 Cb 0.16 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.22 1ckr n ALA 524 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ckr h GLU 525 N 0.00 0.00 0.00 0.00 5.08 -1.59 -2.92 114.58 115.15 1ckr h GLU 525 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ckr h GLU 525 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ckr h GLU 525 CO 0.00 0.74 0.13 0.22 -1.00 0.00 0.00 179.01 179.10 1ckr h ASP 526 N 0.00 0.00 -1.15 1.42 1.82 0.24 -3.46 116.42 115.29 1ckr h ASP 526 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1ckr h ASP 526 Cb 1.76 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.77 1ckr h ASP 526 CO 0.10 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.11 1ckr n GLU 527 N -2.62 0.00 -3.31 0.28 1.02 -1.02 -4.25 120.64 110.73 1ckr n GLU 527 Ca -0.02 0.05 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 1ckr n GLU 527 Cb 0.17 -0.57 0.04 0.00 -0.02 0.00 0.00 31.44 31.07 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 -0.52 -1.77 0.00 3.49 4.01 -1.17 -4.81 118.16 117.39 1ckr n LYS 528 Ca 0.00 0.94 0.00 0.00 -0.51 0.00 0.00 58.31 58.74 1ckr n LYS 528 Cb 0.19 -5.31 0.00 0.00 -0.51 0.00 0.00 35.03 29.40 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 -3.03 0.00 -0.19 1.97 0.00 -1.15 -1.34 117.38 113.64 1ckr n GLN 529 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 57.00 57.03 1ckr n GLN 529 Cb 0.59 0.00 0.27 0.00 0.00 0.00 0.00 30.24 31.10 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 -0.11 2.17 -0.13 2.61 5.12 -1.26 -4.31 116.66 120.75 1ckr n ARG 530 Ca 0.00 -1.78 -0.08 0.00 -1.93 0.00 0.00 57.85 54.06 1ckr n ARG 530 Cb 0.00 -1.44 0.08 0.00 -1.16 0.00 0.00 32.46 29.94 1ckr n ARG 530 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1ckr h ASP 531 N 3.26 0.87 -2.06 0.55 3.32 -1.43 -3.36 116.42 117.57 1ckr h ASP 531 Ca 0.00 -0.28 -0.62 0.00 0.02 0.00 0.00 57.03 56.15 1ckr h ASP 531 Cb 0.73 -0.24 -0.13 0.00 0.22 0.00 0.00 39.33 39.91 1ckr h ASP 531 CO 0.00 1.01 1.01 -1.59 -1.72 0.00 0.00 179.24 177.94 1ckr s LYS 532 N -4.78 3.42 0.01 3.56 0.00 -1.11 -4.04 119.74 116.80 1ckr s LYS 532 Ca -0.10 -1.11 -0.18 0.00 0.00 0.00 0.00 55.97 54.58 1ckr s LYS 532 Cb 0.13 -4.78 0.03 0.00 0.00 0.00 0.00 37.83 33.22 1ckr s LYS 532 CO 0.84 -1.98 0.40 0.54 0.00 0.00 0.00 175.35 175.16 1ckr s VAL 533 N 4.19 0.05 0.00 1.79 0.11 -0.41 -5.02 120.40 121.12 1ckr s VAL 533 Ca 0.35 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1ckr s VAL 533 Cb -0.07 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1ckr s VAL 533 CO -0.01 -0.23 0.00 -0.24 -3.33 0.00 0.00 175.10 171.28 1ckr n SER 534 N 0.82 0.00 -0.07 3.54 2.88 -1.26 -2.20 113.62 117.32 1ckr n SER 534 Ca -0.20 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.24 1ckr n SER 534 Cb 0.58 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.98 1ckr n SER 534 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ckr h SER 535 N 0.00 0.00 0.00 -3.46 0.87 -1.85 -3.49 113.55 105.62 1ckr h SER 535 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1ckr h SER 535 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ckr h SER 535 CO 0.00 0.94 0.00 1.17 -0.53 0.00 0.00 176.83 178.41 1ckr n LYS 536 N -4.61 0.00 -3.15 2.24 0.00 -0.93 -4.88 118.16 106.83 1ckr n LYS 536 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 57.97 1ckr n LYS 536 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.35 1ckr n LYS 536 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1ckr n ASN 537 N -2.41 1.78 -4.50 3.14 5.15 -1.25 -1.28 115.26 115.90 1ckr n ASN 537 Ca 0.00 -3.14 -0.33 0.00 -0.60 0.00 0.00 54.58 50.50 1ckr n ASN 537 Cb 0.00 -0.61 -0.12 0.00 -0.53 0.00 0.00 39.78 38.51 1ckr n ASN 537 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1ckr s SER 538 N -2.44 4.50 -0.10 1.20 1.04 -1.19 -0.34 113.70 116.38 1ckr s SER 538 Ca 0.41 -0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.75 1ckr s SER 538 Cb 0.28 -1.43 0.30 0.00 0.10 0.00 0.00 66.02 65.28 1ckr s SER 538 CO -0.09 0.26 1.00 0.00 0.98 0.00 0.00 173.24 175.38 1ckr n LEU 539 N 2.92 2.91 0.00 2.42 -0.00 -1.26 -4.50 117.00 119.48 1ckr n LEU 539 Ca -0.18 -1.48 0.00 0.00 -0.00 0.00 0.00 56.01 54.36 1ckr n LEU 539 Cb 0.53 -0.57 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 1ckr n LEU 539 CO 0.29 0.42 0.00 -0.62 -0.00 0.00 0.00 177.39 177.48