#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr6 h VAL 293 N 0.00 1.00 -0.18 3.17 2.07 -2.05 -2.12 116.25 118.14 2kr6 h VAL 293 Ca 0.00 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2kr6 h VAL 293 Cb 0.00 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2kr6 h VAL 293 CO 0.00 0.10 0.03 -0.50 0.02 0.00 0.00 177.57 177.21 2kr6 h TRP 294 N 0.52 0.32 0.32 1.57 4.06 -2.05 -0.00 115.95 120.68 2kr6 h TRP 294 Ca 0.23 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 61.13 2kr6 h TRP 294 Cb 0.25 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 2kr6 h TRP 294 CO -0.00 0.46 -0.22 1.25 -3.56 0.00 0.00 178.44 176.37 2kr6 h LEU 295 N 0.09 -0.56 -1.56 -4.49 5.85 -1.85 -1.64 115.31 111.14 2kr6 h LEU 295 Ca 0.05 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2kr6 h LEU 295 Cb 0.32 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2kr6 h LEU 295 CO 0.00 -0.35 0.15 -0.37 -0.34 0.00 0.00 178.44 177.54 2kr6 h VAL 296 N -0.53 1.12 -0.07 1.05 -1.51 -1.42 -1.72 116.25 113.16 2kr6 h VAL 296 Ca -0.03 -0.33 -0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2kr6 h VAL 296 Cb 0.45 0.71 -0.00 0.00 -2.13 0.00 0.00 31.29 30.33 2kr6 h VAL 296 CO 0.01 0.13 0.04 -1.13 -1.23 0.00 0.00 177.57 175.39 2kr6 h ASN 297 N 0.44 0.09 0.15 4.19 -1.24 -0.48 -0.89 115.58 117.83 2kr6 h ASN 297 Ca 0.11 -0.09 -0.08 0.00 0.71 0.00 0.00 56.30 56.96 2kr6 h ASN 297 Cb 0.06 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 2kr6 h ASN 297 CO -0.02 0.15 -0.28 0.24 -1.29 0.00 0.00 177.43 176.23 2kr6 h MET 298 N 0.02 0.22 -0.46 6.67 2.86 -0.97 -2.61 114.93 120.65 2kr6 h MET 298 Ca 0.02 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 2kr6 h MET 298 Cb 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2kr6 h MET 298 CO -0.00 0.49 -0.09 0.00 1.06 0.00 0.00 176.91 178.37 2kr6 h ALA 299 N 1.52 0.63 0.00 6.32 0.00 -0.97 -2.63 119.26 124.13 2kr6 h ALA 299 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kr6 h ALA 299 Cb 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kr6 h ALA 299 CO 0.04 0.51 0.00 0.93 0.00 0.00 0.00 179.25 180.73 2kr6 h GLU 300 N 0.71 0.00 0.00 0.00 5.08 -0.97 -3.46 114.58 115.95 2kr6 h GLU 300 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2kr6 h GLU 300 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2kr6 h GLU 300 CO 0.04 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 2kr6 n GLY 301 N 0.21 5.44 3.44 -3.84 0.00 -0.99 -5.11 105.19 104.34 2kr6 n GLY 301 Ca 0.02 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 2kr6 n GLY 301 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kr6 s ASP 302 N 1.00 3.37 1.11 1.61 -4.77 -1.24 -4.86 116.67 112.89 2kr6 s ASP 302 Ca 0.00 -1.03 -0.16 0.00 -3.30 0.00 0.00 52.55 48.06 2kr6 s ASP 302 Cb 0.00 -0.27 0.24 0.00 -1.09 0.00 0.00 42.92 41.81 2kr6 s ASP 302 CO 0.00 -0.01 1.10 -2.16 0.70 0.00 0.00 175.17 174.81 2kr6 s PRO 303 N -3.54 -0.46 0.34 2.11 0.04 -1.26 -4.89 135.00 127.34 2kr6 s PRO 303 Ca 0.28 0.20 0.18 0.00 0.04 0.00 0.00 61.00 61.71 2kr6 s PRO 303 Cb -0.04 -1.66 0.46 0.00 0.04 0.00 0.00 34.50 33.30 2kr6 s PRO 303 CO 0.13 -3.26 1.63 1.49 0.04 0.00 0.00 177.00 177.03 2kr6 h GLU 304 N -2.26 0.00 0.00 4.56 4.57 -2.01 -3.47 114.58 115.97 2kr6 h GLU 304 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2kr6 h GLU 304 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2kr6 h GLU 304 CO 0.46 0.42 0.00 0.00 -1.18 0.00 0.00 179.01 178.71 2kr6 n ALA 305 N -2.26 0.00 -2.59 2.92 0.00 -1.26 -5.13 120.51 112.19 2kr6 n ALA 305 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 2kr6 n ALA 305 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 2kr6 n ALA 305 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2kr6 s GLN 306 N -1.08 3.85 -0.32 0.00 -0.21 -1.26 -4.85 119.66 115.78 2kr6 s GLN 306 Ca 0.00 0.31 0.09 0.00 0.02 0.00 0.00 55.36 55.79 2kr6 s GLN 306 Cb 0.00 -3.75 0.33 0.00 1.00 0.00 0.00 33.01 30.59 2kr6 s GLN 306 CO 0.00 -0.66 1.34 2.89 -2.12 0.00 0.00 175.29 176.74 2kr6 n ARG 307 N 6.05 1.08 -0.05 2.91 1.85 -1.26 -4.98 116.66 122.26 2kr6 n ARG 307 Ca 0.00 -1.24 0.02 0.00 -1.00 0.00 0.00 57.85 55.63 2kr6 n ARG 307 Cb 0.49 0.20 0.34 0.00 -1.05 0.00 0.00 32.46 32.44 2kr6 n ARG 307 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 2kr6 h ARG 308 N 1.23 0.64 -0.15 2.89 2.43 -2.00 -1.65 114.38 117.77 2kr6 h ARG 308 Ca -0.36 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 58.79 2kr6 h ARG 308 Cb 1.26 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2kr6 h ARG 308 CO -0.13 0.49 0.11 -0.24 -1.51 0.00 0.00 179.97 178.68 2kr6 h VAL 309 N 0.65 0.88 -0.15 0.20 3.04 -1.93 -0.71 116.25 118.23 2kr6 h VAL 309 Ca 0.17 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.90 2kr6 h VAL 309 Cb 0.05 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 2kr6 h VAL 309 CO -0.02 0.00 0.14 -1.28 -1.01 0.00 0.00 177.57 175.39 2kr6 h SER 310 N 0.00 0.00 -0.76 3.17 0.87 -1.71 0.82 113.55 115.94 2kr6 h SER 310 Ca 0.07 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.31 2kr6 h SER 310 Cb 0.29 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.06 2kr6 h SER 310 CO -0.00 0.00 0.40 1.17 -0.53 0.00 0.00 176.83 177.87 2kr6 n LYS 311 N -4.05 2.81 -3.13 2.24 3.00 -0.27 -4.95 118.16 113.82 2kr6 n LYS 311 Ca 0.01 -2.68 -0.16 0.00 -0.00 0.00 0.00 58.31 55.48 2kr6 n LYS 311 Cb 0.26 -2.08 0.01 0.00 0.00 0.00 0.00 35.03 33.22 2kr6 n LYS 311 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kr6 n ASN 312 N -0.49 -7.07 -0.49 3.14 4.13 0.28 -4.95 115.26 109.82 2kr6 n ASN 312 Ca 0.44 0.14 0.07 0.00 1.68 0.00 0.00 54.58 56.91 2kr6 n ASN 312 Cb 1.40 -4.15 0.17 0.00 -1.54 0.00 0.00 39.78 35.66 2kr6 n ASN 312 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2kr6 n SER 313 N -0.71 1.81 -0.05 6.41 2.88 -1.25 -4.78 113.62 117.92 2kr6 n SER 313 Ca 0.01 -3.52 -0.04 0.00 -1.33 0.00 0.00 58.87 54.00 2kr6 n SER 313 Cb 0.54 -0.48 -0.01 0.00 -0.75 0.00 0.00 64.21 63.51 2kr6 n SER 313 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kr6 n LYS 314 N -1.09 0.35 -3.66 -1.46 5.02 -1.26 -4.93 118.16 111.12 2kr6 n LYS 314 Ca 0.17 0.44 -0.14 0.00 -2.02 0.00 0.00 58.31 56.76 2kr6 n LYS 314 Cb 0.70 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 34.21 2kr6 n LYS 314 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 2kr6 n TYR 315 N -4.04 -0.69 -3.46 2.13 4.11 -1.26 -5.14 117.16 108.81 2kr6 n TYR 315 Ca -0.06 -2.09 -0.28 0.00 -0.00 0.00 0.00 57.90 55.47 2kr6 n TYR 315 Cb 0.21 0.25 -0.12 0.00 -0.00 0.00 0.00 39.34 39.68 2kr6 n TYR 315 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 2kr6 s ASN 316 N -2.75 2.90 0.46 9.48 3.84 -1.26 -5.08 114.94 122.54 2kr6 s ASN 316 Ca 0.29 -2.06 0.00 0.00 0.21 0.00 0.00 52.86 51.30 2kr6 s ASN 316 Cb 0.01 -0.33 0.00 0.00 -0.55 0.00 0.00 41.25 40.38 2kr6 s ASN 316 CO 0.21 -0.32 0.00 0.00 -2.79 0.00 0.00 177.10 174.20 2kr6 n ALA 317 N 4.17 -3.43 -3.62 1.71 0.00 -1.26 -5.06 120.51 113.02 2kr6 n ALA 317 Ca 0.10 0.67 -0.04 0.00 0.00 0.00 0.00 53.44 54.18 2kr6 n ALA 317 Cb 0.38 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 2kr6 n ALA 317 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2kr6 s GLU 318 N -3.32 0.21 -0.22 0.00 -1.05 -1.26 -5.19 118.70 107.88 2kr6 s GLU 318 Ca 0.00 0.04 -0.29 0.00 -0.15 0.00 0.00 54.97 54.57 2kr6 s GLU 318 Cb 0.00 0.10 0.15 0.00 -0.44 0.00 0.00 34.13 33.94 2kr6 s GLU 318 CO 0.00 -0.07 1.14 -1.12 0.95 0.00 0.00 175.26 176.16 2kr6 s SER 319 N -1.09 -0.25 -0.29 0.83 0.01 -1.26 -5.18 113.70 106.47 2kr6 s SER 319 Ca 0.06 0.29 -0.23 0.00 1.31 0.00 0.00 55.95 57.39 2kr6 s SER 319 Cb -0.01 0.23 0.16 0.00 0.21 0.00 0.00 66.02 66.61 2kr6 s SER 319 CO -0.05 -0.21 1.18 0.28 0.41 0.00 0.00 173.24 174.85 2kr6 s THR 320 N -0.95 0.00 -0.30 1.44 -1.32 -1.26 -5.17 115.64 108.08 2kr6 s THR 320 Ca 0.02 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.30 2kr6 s THR 320 Cb -0.01 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.18 2kr6 s THR 320 CO -0.03 0.00 1.38 -0.70 -2.21 0.00 0.00 174.62 173.06 2kr6 s GLU 321 N 0.42 0.03 -0.30 7.08 2.12 -1.26 -5.17 118.70 121.62 2kr6 s GLU 321 Ca 0.02 0.04 -0.15 0.00 0.36 0.00 0.00 54.97 55.24 2kr6 s GLU 321 Cb -0.05 0.01 0.16 0.00 0.26 0.00 0.00 34.13 34.51 2kr6 s GLU 321 CO -0.11 -0.00 0.98 0.50 -0.54 0.00 0.00 175.26 176.08 2kr6 s ARG 322 N 0.47 0.32 -0.28 4.30 3.52 -1.26 -5.16 118.95 120.86 2kr6 s ARG 322 Ca 0.01 0.73 -0.16 0.00 -0.13 0.00 0.00 55.73 56.17 2kr6 s ARG 322 Cb -0.04 0.34 0.11 0.00 -1.56 0.00 0.00 34.95 33.81 2kr6 s ARG 322 CO -0.13 -0.10 0.83 -2.00 -0.81 0.00 0.00 175.30 173.09 2kr6 s GLU 323 N 2.13 0.55 -0.29 5.12 2.56 -1.26 -5.16 118.70 122.35 2kr6 s GLU 323 Ca -0.05 0.95 -0.14 0.00 0.00 0.00 0.00 54.97 55.73 2kr6 s GLU 323 Cb -0.05 0.11 0.10 0.00 2.00 0.00 0.00 34.13 36.29 2kr6 s GLU 323 CO -0.17 -0.12 0.71 -1.54 -0.56 0.00 0.00 175.26 173.58 2kr6 s SER 324 N 1.49 -0.97 -0.28 -1.70 1.04 -1.26 -5.16 113.70 106.86 2kr6 s SER 324 Ca -0.09 1.47 -0.24 0.00 0.48 0.00 0.00 55.95 57.57 2kr6 s SER 324 Cb -0.04 1.67 0.09 0.00 0.10 0.00 0.00 66.02 67.84 2kr6 s SER 324 CO -0.17 -0.22 0.82 -1.10 0.98 0.00 0.00 173.24 173.54 2kr6 s GLN 325 N 2.04 0.71 -0.04 4.02 -0.21 -1.26 -5.18 119.66 119.74 2kr6 s GLN 325 Ca -0.08 0.90 -0.29 0.00 0.02 0.00 0.00 55.36 55.90 2kr6 s GLN 325 Cb -0.07 0.32 0.10 0.00 1.00 0.00 0.00 33.01 34.35 2kr6 s GLN 325 CO -0.19 -0.09 0.82 0.16 -2.12 0.00 0.00 175.29 173.86 2kr6 s ASP 326 N 0.52 -0.48 -0.29 5.90 1.47 -1.26 -5.18 116.67 117.36 2kr6 s ASP 326 Ca -0.01 0.32 -0.22 0.00 1.18 0.00 0.00 52.55 53.82 2kr6 s ASP 326 Cb -0.05 0.44 0.15 0.00 -0.34 0.00 0.00 42.92 43.11 2kr6 s ASP 326 CO -0.04 -0.59 1.10 0.28 0.68 0.00 0.00 175.17 176.60 2kr6 s THR 327 N -2.08 0.00 -0.21 2.11 -1.32 -1.26 -5.18 115.64 107.70 2kr6 s THR 327 Ca -0.02 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.18 2kr6 s THR 327 Cb -0.01 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.10 2kr6 s THR 327 CO -0.01 0.00 0.98 0.54 -2.21 0.00 0.00 174.62 173.92 2kr6 s VAL 328 N 0.53 0.00 -0.29 5.08 0.11 -1.26 -5.17 120.40 119.40 2kr6 s VAL 328 Ca 0.00 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 2kr6 s VAL 328 Cb -0.04 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.95 2kr6 s VAL 328 CO -0.10 0.00 0.95 0.00 -3.33 0.00 0.00 175.10 172.62 2kr6 s ALA 329 N -0.43 -2.40 -0.29 1.54 0.00 -1.26 -5.17 121.76 113.75 2kr6 s ALA 329 Ca -0.00 2.17 -0.24 0.00 0.00 0.00 0.00 51.96 53.89 2kr6 s ALA 329 Cb -0.03 -1.82 0.15 0.00 0.00 0.00 0.00 23.12 21.42 2kr6 s ALA 329 CO -0.02 -0.58 1.16 -1.83 0.00 0.00 0.00 175.76 174.49 2kr6 s GLU 330 N 1.81 0.34 -0.05 0.00 -1.05 -1.26 -5.19 118.70 113.30 2kr6 s GLU 330 Ca -0.07 0.42 -0.31 0.00 -0.15 0.00 0.00 54.97 54.87 2kr6 s GLU 330 Cb -0.05 0.15 0.11 0.00 -0.44 0.00 0.00 34.13 33.91 2kr6 s GLU 330 CO -0.16 -0.04 1.07 1.21 0.95 0.00 0.00 175.26 178.28 2kr6 s ASN 331 N 0.31 -0.21 0.50 0.83 2.47 -1.26 -5.16 114.94 112.42 2kr6 s ASN 331 Ca 0.03 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.23 2kr6 s ASN 331 Cb -0.05 0.28 0.00 0.00 -1.45 0.00 0.00 41.25 40.03 2kr6 s ASN 331 CO -0.10 -0.48 0.00 0.47 -3.72 0.00 0.00 177.10 173.27 2kr6 n ASP 332 N -0.25 -7.06 0.16 -4.21 8.00 -1.26 -5.03 116.55 106.90 2kr6 n ASP 332 Ca -0.05 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.59 2kr6 n ASP 332 Cb 0.60 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 2kr6 n ASP 332 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2kr6 n ASP 333 N -4.05 -1.11 0.00 -2.24 -0.08 -1.26 -5.17 116.55 102.64 2kr6 n ASP 333 Ca -0.07 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.77 2kr6 n ASP 333 Cb 0.59 1.21 0.00 0.00 2.34 0.00 0.00 41.12 45.26 2kr6 n ASP 333 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kr6 n GLY 334 N 0.76 0.01 0.00 0.27 0.00 -1.26 -5.13 105.19 99.84 2kr6 n GLY 334 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2kr6 n GLY 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kr6 n GLY 335 N 1.55 -1.32 1.61 -0.02 0.00 -1.26 -5.17 105.19 100.59 2kr6 n GLY 335 Ca 0.00 0.49 0.16 0.00 0.00 0.00 0.00 46.02 46.67 2kr6 n GLY 335 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kr6 n PHE 336 N -0.52 -3.35 -3.83 1.61 7.35 -1.26 -5.04 117.46 112.43 2kr6 n PHE 336 Ca 0.00 1.48 -0.10 0.00 -0.76 0.00 0.00 57.45 58.07 2kr6 n PHE 336 Cb 0.00 -2.73 -0.01 0.00 0.35 0.00 0.00 39.48 37.09 2kr6 n PHE 336 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2kr6 n SER 337 N -3.76 -1.21 0.00 -2.13 7.64 -1.26 -5.12 113.62 107.79 2kr6 n SER 337 Ca 0.01 -2.33 0.00 0.00 1.01 0.00 0.00 58.87 57.55 2kr6 n SER 337 Cb 0.54 2.16 0.00 0.00 -1.01 0.00 0.00 64.21 65.90 2kr6 n SER 337 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kr6 n GLU 338 N -0.42 0.00 -2.86 1.43 1.02 -1.26 -5.12 120.64 113.44 2kr6 n GLU 338 Ca -0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.09 2kr6 n GLU 338 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 2kr6 n GLU 338 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kr6 n GLU 339 N -2.13 -2.72 -3.85 3.49 -0.58 -1.26 -5.02 120.64 108.57 2kr6 n GLU 339 Ca 0.00 2.29 -0.28 0.00 -0.42 0.00 0.00 57.16 58.75 2kr6 n GLU 339 Cb 0.00 -4.61 -0.16 0.00 -0.57 0.00 0.00 31.44 26.10 2kr6 n GLU 339 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2kr6 s TRP 340 N -1.72 1.58 0.08 -0.32 -0.00 -1.26 -5.12 118.94 112.18 2kr6 s TRP 340 Ca 0.07 -1.09 -0.23 0.00 -0.00 0.00 0.00 56.10 54.85 2kr6 s TRP 340 Cb -0.02 -1.25 0.06 0.00 -0.00 0.00 0.00 33.47 32.26 2kr6 s TRP 340 CO 0.67 -0.63 0.55 -1.21 -0.00 0.00 0.00 176.95 176.33 2kr6 s GLU 341 N 1.67 1.11 1.26 5.86 2.02 -1.26 -5.14 118.70 124.22 2kr6 s GLU 341 Ca -0.01 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.68 2kr6 s GLU 341 Cb -0.16 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.58 2kr6 s GLU 341 CO -0.07 -0.43 0.00 0.00 0.02 0.00 0.00 175.26 174.78 2kr6 n ALA 342 N 0.16 -0.66 -0.08 5.21 0.00 -1.26 -4.76 120.51 119.12 2kr6 n ALA 342 Ca -0.18 0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 2kr6 n ALA 342 Cb 0.62 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.80 2kr6 n ALA 342 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2kr6 n GLN 343 N -1.87 0.43 0.00 0.00 7.27 -1.26 -5.04 117.38 116.90 2kr6 n GLN 343 Ca 0.00 0.18 0.00 0.00 0.07 0.00 0.00 57.00 57.25 2kr6 n GLN 343 Cb 0.10 -1.23 0.00 0.00 2.41 0.00 0.00 30.24 31.52 2kr6 n GLN 343 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2kr6 n ARG 344 N -4.08 0.00 -0.04 3.69 0.63 -1.26 -5.15 116.66 110.44 2kr6 n ARG 344 Ca -0.27 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.64 2kr6 n ARG 344 Cb 0.61 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.53 2kr6 n ARG 344 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2kr6 n ASP 345 N -0.95 -1.67 -2.97 6.15 8.00 -1.26 -4.68 116.55 119.17 2kr6 n ASP 345 Ca 0.00 -0.28 -0.05 0.00 0.71 0.00 0.00 54.79 55.17 2kr6 n ASP 345 Cb 0.00 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.03 2kr6 n ASP 345 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2kr6 n SER 346 N -3.17 -7.83 -4.81 -2.24 2.88 -1.26 -5.05 113.62 92.14 2kr6 n SER 346 Ca 0.01 0.22 -0.30 0.00 -1.33 0.00 0.00 58.87 57.47 2kr6 n SER 346 Cb 0.04 -5.28 -0.05 0.00 -0.75 0.00 0.00 64.21 58.17 2kr6 n SER 346 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2kr6 s HIS 347 N -2.79 1.84 -1.33 0.66 3.76 -1.26 -4.78 115.29 111.39 2kr6 s HIS 347 Ca 0.13 -0.89 -0.03 0.00 -0.15 0.00 0.00 55.06 54.12 2kr6 s HIS 347 Cb -0.04 -1.75 0.02 0.00 1.11 0.00 0.00 32.58 31.93 2kr6 s HIS 347 CO 0.76 -0.02 0.85 1.28 -0.85 0.00 0.00 174.74 176.76 2kr6 n LEU 348 N -1.44 -3.21 0.00 0.89 4.77 -1.26 -5.00 117.00 111.76 2kr6 n LEU 348 Ca -0.12 -0.75 -0.07 0.00 -0.03 0.00 0.00 56.01 55.04 2kr6 n LEU 348 Cb 0.66 -2.77 0.00 0.00 -2.33 0.00 0.00 43.42 38.98 2kr6 n LEU 348 CO 0.39 0.44 0.02 0.61 -1.33 0.00 0.00 177.39 177.52 2kr6 n GLY 349 N -1.55 2.96 3.75 -0.72 0.00 -1.26 -5.10 105.19 103.28 2kr6 n GLY 349 Ca -0.21 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.19 2kr6 n GLY 349 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kr6 s PRO 350 N -2.64 4.44 0.09 1.61 0.04 -1.26 -4.95 135.00 132.33 2kr6 s PRO 350 Ca 0.09 2.05 0.16 0.00 0.04 0.00 0.00 61.00 63.34 2kr6 s PRO 350 Cb -0.01 -3.15 -0.12 0.00 0.04 0.00 0.00 34.50 31.27 2kr6 s PRO 350 CO 0.06 -0.11 0.93 0.45 0.04 0.00 0.00 177.00 178.36 2kr6 h HIS 351 N 4.22 0.00 -3.12 0.56 3.86 -2.05 -3.47 115.15 115.15 2kr6 h HIS 351 Ca -0.47 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.29 2kr6 h HIS 351 Cb 1.22 0.00 0.05 0.00 1.06 0.00 0.00 27.41 29.74 2kr6 h HIS 351 CO 0.59 0.62 0.07 1.03 0.86 0.00 0.00 177.93 181.10 2kr6 s ARG 352 N -2.89 2.60 -0.05 2.45 3.00 -1.26 -5.09 118.95 117.71 2kr6 s ARG 352 Ca -0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 55.73 55.25 2kr6 s ARG 352 Cb 0.08 -2.37 -0.04 0.00 0.00 0.00 0.00 34.95 32.63 2kr6 s ARG 352 CO 0.80 -0.79 0.11 -1.12 0.00 0.00 0.00 175.30 174.31 2kr6 s SER 353 N -4.39 6.00 0.34 0.23 0.01 -1.26 -5.11 113.70 109.52 2kr6 s SER 353 Ca 0.56 0.29 0.00 0.00 1.31 0.00 0.00 55.95 58.11 2kr6 s SER 353 Cb -0.10 -1.83 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 2kr6 s SER 353 CO 0.41 0.32 0.54 0.42 0.41 0.00 0.00 173.24 175.35 2kr6 s THR 354 N -1.15 5.11 -1.12 1.44 -4.23 -1.26 -4.99 115.64 109.44 2kr6 s THR 354 Ca 0.21 -0.44 -0.23 0.00 -1.18 0.00 0.00 61.69 60.05 2kr6 s THR 354 Cb -0.12 -3.85 -0.08 0.00 1.34 0.00 0.00 72.50 69.79 2kr6 s THR 354 CO 0.11 -0.54 1.94 -2.16 -0.54 0.00 0.00 174.62 173.43 2kr6 s PRO 355 N -4.26 2.51 0.26 3.99 0.04 -1.26 -4.75 135.00 131.53 2kr6 s PRO 355 Ca 0.40 -0.96 -0.01 0.00 0.04 0.00 0.00 61.00 60.47 2kr6 s PRO 355 Cb -0.10 -5.20 0.33 0.00 0.04 0.00 0.00 34.50 29.57 2kr6 s PRO 355 CO 0.36 -3.84 1.73 1.49 0.04 0.00 0.00 177.00 176.78 2kr6 h GLU 356 N 10.10 0.73 0.86 4.56 4.81 -1.98 -0.36 114.58 133.30 2kr6 h GLU 356 Ca 0.19 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2kr6 h GLU 356 Cb 0.95 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2kr6 h GLU 356 CO 1.22 0.80 -0.45 1.03 -0.73 0.00 0.00 179.01 180.88 2kr6 h SER 357 N 0.67 -1.08 -0.61 1.04 0.87 -2.01 -1.27 113.55 111.16 2kr6 h SER 357 Ca 0.12 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2kr6 h SER 357 Cb 0.53 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 2kr6 h SER 357 CO 0.03 -0.73 0.19 -0.09 -0.53 0.00 0.00 176.83 175.70 2kr6 h ARG 358 N -1.20 0.98 -0.95 2.24 2.43 -1.96 -2.67 114.38 113.25 2kr6 h ARG 358 Ca -0.12 -0.20 0.08 0.00 -0.81 0.00 0.00 59.98 58.94 2kr6 h ARG 358 Cb 0.93 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.26 2kr6 h ARG 358 CO 0.17 0.84 0.59 0.00 -1.51 0.00 0.00 179.97 180.07 2kr6 h ALA 359 N 1.26 1.34 -0.34 2.80 0.00 -0.92 -1.64 119.26 121.77 2kr6 h ALA 359 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2kr6 h ALA 359 Cb 0.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kr6 h ALA 359 CO -0.01 0.31 0.16 0.00 0.00 0.00 0.00 179.25 179.71 2kr6 h ALA 360 N 1.46 0.44 0.45 0.00 0.00 -0.88 0.23 119.26 120.96 2kr6 h ALA 360 Ca 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2kr6 h ALA 360 Cb 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kr6 h ALA 360 CO -0.20 0.01 -0.27 0.28 0.00 0.00 0.00 179.25 179.06 2kr6 h VAL 361 N 0.41 0.45 -0.71 0.00 2.07 -1.28 -0.31 116.25 116.87 2kr6 h VAL 361 Ca 0.12 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 2kr6 h VAL 361 Cb 0.13 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2kr6 h VAL 361 CO -0.01 0.00 0.31 1.56 0.02 0.00 0.00 177.57 179.44 2kr6 h GLN 362 N -0.68 1.04 -0.13 1.57 4.20 -1.29 -1.97 115.11 117.85 2kr6 h GLN 362 Ca -0.05 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.50 2kr6 h GLN 362 Cb 0.55 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2kr6 h GLN 362 CO 0.06 0.83 0.07 1.49 -0.67 0.00 0.00 178.83 180.61 2kr6 h GLU 363 N 1.02 0.15 -0.16 1.46 4.22 -0.28 -1.60 114.58 119.40 2kr6 h GLU 363 Ca 0.24 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.67 2kr6 h GLU 363 Cb 0.16 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2kr6 h GLU 363 CO -0.03 0.10 0.09 1.25 -2.18 0.00 0.00 179.01 178.24 2kr6 h LEU 364 N 0.15 0.19 -1.09 1.64 5.85 -0.83 -0.53 115.31 120.69 2kr6 h LEU 364 Ca 0.05 -0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.83 2kr6 h LEU 364 Cb -0.01 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 2kr6 h LEU 364 CO -0.02 0.20 0.61 0.77 -0.34 0.00 0.00 178.44 179.66 2kr6 h SER 365 N 0.17 0.85 0.22 1.25 4.64 -1.19 0.10 113.55 119.59 2kr6 h SER 365 Ca 0.06 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 2kr6 h SER 365 Cb 0.04 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2kr6 h SER 365 CO -0.01 0.45 -0.11 -1.28 -0.87 0.00 0.00 176.83 175.01 2kr6 h SER 366 N 0.91 -0.25 -0.95 4.97 0.87 -0.89 -0.23 113.55 117.98 2kr6 h SER 366 Ca 0.48 -0.28 0.14 0.00 -1.23 0.00 0.00 61.79 60.90 2kr6 h SER 366 Cb 0.55 0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 62.50 2kr6 h SER 366 CO -0.25 0.23 0.60 0.77 -0.53 0.00 0.00 176.83 177.65 2kr6 h SER 367 N -0.83 0.77 1.22 6.23 4.64 -0.73 0.29 113.55 125.14 2kr6 h SER 367 Ca -0.03 0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 2kr6 h SER 367 Cb 0.51 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2kr6 h SER 367 CO 0.05 0.39 -0.54 0.40 -0.87 0.00 0.00 176.83 176.26 2kr6 h ILE 368 N 0.82 1.01 -0.41 0.95 2.04 -0.82 -3.07 117.51 118.02 2kr6 h ILE 368 Ca 0.48 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 64.14 2kr6 h ILE 368 Cb 0.64 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2kr6 h ILE 368 CO -0.24 0.53 0.00 -0.11 0.00 0.00 0.00 178.15 178.33 2kr6 n LEU 369 N -3.34 3.00 -2.63 1.44 7.94 0.26 -4.89 117.00 118.78 2kr6 n LEU 369 Ca 0.01 -1.51 -0.20 0.00 -1.11 0.00 0.00 56.01 53.20 2kr6 n LEU 369 Cb 0.70 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.22 2kr6 n LEU 369 CO 0.40 0.55 -0.17 0.00 -1.11 0.00 0.00 177.39 177.06 2kr6 n ALA 370 N 0.63 -0.76 -2.28 1.96 0.00 -0.43 -4.96 120.51 114.66 2kr6 n ALA 370 Ca 0.16 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2kr6 n ALA 370 Cb 0.56 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.40 2kr6 n ALA 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kr6 n GLY 371 N -1.14 2.82 3.34 0.00 0.00 0.76 -5.01 105.19 105.96 2kr6 n GLY 371 Ca -0.19 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 2kr6 n GLY 371 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kr6 s GLU 372 N 3.96 0.49 0.19 1.61 8.01 -1.26 -4.64 118.70 127.06 2kr6 s GLU 372 Ca 0.00 0.74 0.06 0.00 0.01 0.00 0.00 54.97 55.78 2kr6 s GLU 372 Cb 0.00 0.14 -0.05 0.00 -4.31 0.00 0.00 34.13 29.92 2kr6 s GLU 372 CO 0.00 -0.11 -0.12 -0.51 0.01 0.00 0.00 175.26 174.54 2kr6 s ASP 373 N 0.79 2.22 0.48 -0.19 1.11 -1.26 -5.01 116.67 114.82 2kr6 s ASP 373 Ca -0.04 -1.03 0.27 0.00 0.18 0.00 0.00 52.55 51.92 2kr6 s ASP 373 Cb -0.05 -0.08 1.15 0.00 1.07 0.00 0.00 42.92 45.01 2kr6 s ASP 373 CO -0.06 -0.26 1.92 1.55 1.18 0.00 0.00 175.17 179.50 2kr6 h PRO 374 N 2.63 0.00 -0.47 8.23 0.13 -1.98 -3.19 132.00 137.36 2kr6 h PRO 374 Ca -0.38 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.84 2kr6 h PRO 374 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 2kr6 h PRO 374 CO 0.63 0.15 -0.01 1.49 -0.23 0.00 0.00 178.00 180.04 2kr6 h GLU 375 N 0.00 0.10 -5.67 0.86 4.57 -1.96 -3.43 114.58 109.05 2kr6 h GLU 375 Ca -0.00 -0.01 -0.61 0.00 -1.18 0.00 0.00 59.36 57.56 2kr6 h GLU 375 Cb 0.61 -0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 29.04 2kr6 h GLU 375 CO 0.02 0.07 -0.62 -2.00 -1.18 0.00 0.00 179.01 175.30 2kr6 s GLU 376 N -6.18 1.91 -0.39 1.92 2.56 -1.21 -5.11 118.70 112.20 2kr6 s GLU 376 Ca -0.13 -2.06 0.03 0.00 0.00 0.00 0.00 54.97 52.80 2kr6 s GLU 376 Cb 0.15 -1.59 0.16 0.00 2.00 0.00 0.00 34.13 34.86 2kr6 s GLU 376 CO 0.72 -0.03 0.30 -0.98 -0.56 0.00 0.00 175.26 174.72 2kr6 s ARG 377 N -3.71 0.80 0.00 4.30 1.70 -1.26 -4.62 118.95 116.16 2kr6 s ARG 377 Ca 0.35 -1.89 0.00 0.00 -0.47 0.00 0.00 55.73 53.72 2kr6 s ARG 377 Cb 0.09 -1.39 0.00 0.00 -0.57 0.00 0.00 34.95 33.08 2kr6 s ARG 377 CO 0.17 -1.34 0.00 0.41 -1.08 0.00 0.00 175.30 173.47 2kr6 n GLY 378 N 3.19 0.98 0.30 3.88 0.00 -1.26 -5.01 105.19 107.27 2kr6 n GLY 378 Ca 0.25 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.59 2kr6 n GLY 378 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2kr6 h VAL 379 N 0.57 0.68 -3.85 1.61 -1.51 -1.96 -3.48 116.25 108.30 2kr6 h VAL 379 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 2kr6 h VAL 379 Cb 0.00 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.24 2kr6 h VAL 379 CO 0.00 0.10 -0.75 0.29 -1.23 0.00 0.00 177.57 175.98 2kr6 n LYS 380 N -4.92 -4.20 -1.41 5.19 4.76 -1.26 -4.97 118.16 111.35 2kr6 n LYS 380 Ca 0.17 3.12 0.00 0.00 -2.87 0.00 0.00 58.31 58.73 2kr6 n LYS 380 Cb 0.46 -3.55 0.00 0.00 -1.84 0.00 0.00 35.03 30.10 2kr6 n LYS 380 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2kr6 n LEU 381 N 1.45 -4.75 0.00 -0.35 7.94 -1.26 -4.84 117.00 115.19 2kr6 n LEU 381 Ca 0.00 2.13 0.00 0.00 -1.11 0.00 0.00 56.01 57.03 2kr6 n LEU 381 Cb 0.00 -2.14 0.00 0.00 0.53 0.00 0.00 43.42 41.81 2kr6 n LEU 381 CO 0.00 -0.87 0.00 0.61 -1.11 0.00 0.00 177.39 176.02 2kr6 n GLY 382 N 0.84 2.05 0.44 -3.96 0.00 -1.26 -4.14 105.19 99.15 2kr6 n GLY 382 Ca 0.00 0.24 0.32 0.00 0.00 0.00 0.00 46.02 46.57 2kr6 n GLY 382 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2kr6 h LEU 383 N 0.00 0.32 0.00 0.99 8.10 -1.99 0.39 115.31 123.12 2kr6 h LEU 383 Ca 0.00 0.12 -0.18 0.00 0.11 0.00 0.00 57.88 57.93 2kr6 h LEU 383 Cb 0.00 0.09 -0.03 0.00 -0.44 0.00 0.00 40.66 40.28 2kr6 h LEU 383 CO 0.00 -0.10 -1.70 0.61 -4.11 0.00 0.00 178.44 173.14 2kr6 n GLY 384 N -1.49 -0.51 0.06 0.17 0.00 -1.26 -4.37 105.19 97.79 2kr6 n GLY 384 Ca 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 2kr6 n GLY 384 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kr6 h ASP 385 N 0.00 -0.04 -0.29 1.61 3.32 -1.67 -3.19 116.42 116.17 2kr6 h ASP 385 Ca -0.27 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.85 2kr6 h ASP 385 Cb 1.60 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 41.08 2kr6 h ASP 385 CO 0.01 0.43 -0.31 0.15 -1.72 0.00 0.00 179.24 177.81 2kr6 h PHE 386 N -0.96 -0.84 -1.00 4.55 3.57 -0.40 0.77 116.94 122.64 2kr6 h PHE 386 Ca -0.00 0.05 0.25 0.00 3.53 0.00 0.00 57.97 61.79 2kr6 h PHE 386 Cb 0.03 0.41 -0.08 0.00 2.79 0.00 0.00 35.95 39.10 2kr6 h PHE 386 CO 0.00 -0.37 0.65 -0.84 -2.23 0.00 0.00 178.31 175.52 2kr6 h ILE 387 N -0.29 0.58 0.53 1.41 -0.00 -1.69 0.63 117.51 118.68 2kr6 h ILE 387 Ca 0.14 -0.13 -0.03 0.00 -0.00 0.00 0.00 64.86 64.85 2kr6 h ILE 387 Cb 0.52 0.17 0.01 0.00 -0.00 0.00 0.00 36.82 37.52 2kr6 h ILE 387 CO -0.45 0.07 -0.25 0.15 -0.00 0.00 0.00 178.15 177.66 2kr6 h PHE 388 N 0.37 -0.66 0.00 0.16 3.57 -0.84 -2.68 116.94 116.87 2kr6 h PHE 388 Ca 0.54 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.03 2kr6 h PHE 388 Cb 1.42 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.38 2kr6 h PHE 388 CO -0.00 -0.41 0.00 0.66 -2.23 0.00 0.00 178.31 176.33 2kr6 n TYR 389 N -4.12 0.00 0.03 0.41 4.02 -0.89 -2.20 117.16 114.41 2kr6 n TYR 389 Ca -0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.68 2kr6 n TYR 389 Cb 0.28 -0.48 -0.09 0.00 -0.02 0.00 0.00 39.34 39.03 2kr6 n TYR 389 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2kr6 h SER 390 N 0.00 -0.12 0.11 7.72 0.02 0.49 -2.21 113.55 119.56 2kr6 h SER 390 Ca 0.00 -0.43 -0.28 0.00 -0.84 0.00 0.00 61.79 60.24 2kr6 h SER 390 Cb 0.23 0.03 0.03 0.00 0.14 0.00 0.00 62.40 62.83 2kr6 h SER 390 CO 0.00 0.42 -1.14 0.58 -1.14 0.00 0.00 176.83 175.55 2kr6 h VAL 391 N -0.72 1.31 0.10 2.27 2.07 -1.40 -2.14 116.25 117.74 2kr6 h VAL 391 Ca -0.01 -2.42 0.01 0.00 0.82 0.00 0.00 66.70 65.10 2kr6 h VAL 391 Cb 0.55 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 2kr6 h VAL 391 CO 0.02 0.73 -0.14 0.25 0.02 0.00 0.00 177.57 178.46 2kr6 h LEU 392 N 0.19 -0.37 0.40 2.57 6.46 -1.57 0.23 115.31 123.22 2kr6 h LEU 392 Ca -0.17 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.61 2kr6 h LEU 392 Cb 1.83 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.90 2kr6 h LEU 392 CO 0.22 -0.20 -0.19 0.58 -0.62 0.00 0.00 178.44 178.23 2kr6 h VAL 393 N -0.28 0.52 -0.68 1.05 2.07 -1.51 -0.35 116.25 117.07 2kr6 h VAL 393 Ca 0.02 -0.53 0.13 0.00 0.82 0.00 0.00 66.70 67.13 2kr6 h VAL 393 Cb 0.28 0.74 -0.09 0.00 -1.52 0.00 0.00 31.29 30.70 2kr6 h VAL 393 CO -0.06 0.08 0.22 1.23 0.02 0.00 0.00 177.57 179.06 2kr6 h GLY 394 N -0.88 0.96 2.00 2.17 0.00 -1.37 0.19 103.07 106.14 2kr6 h GLY 394 Ca -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 2kr6 h GLY 394 CO 0.09 -0.10 -0.24 0.50 0.00 0.00 0.00 176.54 176.79 2kr6 h LYS 395 N 0.35 0.00 0.01 4.80 1.79 -0.56 -2.60 116.57 120.38 2kr6 h LYS 395 Ca 0.37 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.63 2kr6 h LYS 395 Cb 0.55 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 2kr6 h LYS 395 CO -0.40 0.24 -0.92 0.00 -1.08 0.00 0.00 179.45 177.29 2kr6 h ALA 396 N 1.76 0.47 0.03 3.86 0.00 0.11 0.42 119.26 125.91 2kr6 h ALA 396 Ca -0.00 -0.75 -0.26 0.00 0.00 0.00 0.00 54.91 53.89 2kr6 h ALA 396 Cb 0.80 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.54 2kr6 h ALA 396 CO 0.03 0.95 -1.07 1.03 0.00 0.00 0.00 179.25 180.20 2kr6 h SER 397 N 0.09 0.78 0.00 0.00 0.87 -0.74 -2.18 113.55 112.37 2kr6 h SER 397 Ca -0.05 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 59.86 2kr6 h SER 397 Cb 1.57 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2kr6 h SER 397 CO 0.14 1.46 -0.34 0.00 -0.53 0.00 0.00 176.83 177.56 2kr6 h ALA 398 N 0.48 0.00 0.01 6.23 0.00 -1.53 -3.42 119.26 121.03 2kr6 h ALA 398 Ca -0.13 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2kr6 h ALA 398 Cb 1.72 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.85 2kr6 h ALA 398 CO 0.20 0.34 -0.00 1.15 0.00 0.00 0.00 179.25 180.93 2kr6 h THR 399 N -0.77 1.53 -4.52 0.00 2.02 -0.64 -3.50 112.91 107.04 2kr6 h THR 399 Ca 0.00 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.52 2kr6 h THR 399 Cb 0.34 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2kr6 h THR 399 CO 0.00 0.43 -0.49 0.00 0.37 0.00 0.00 175.52 175.82 2kr6 n ALA 400 N -2.47 -3.16 0.10 6.16 0.00 0.11 -4.96 120.51 116.29 2kr6 n ALA 400 Ca -0.09 0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2kr6 n ALA 400 Cb 0.35 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.04 2kr6 n ALA 400 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kr6 n SER 401 N 0.01 0.01 -2.94 0.00 7.64 -1.26 -5.02 113.62 112.06 2kr6 n SER 401 Ca 0.05 0.34 -0.02 0.00 1.01 0.00 0.00 58.87 60.25 2kr6 n SER 401 Cb 0.18 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2kr6 n SER 401 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kr6 n GLY 402 N 1.81 -2.29 3.62 0.23 0.00 -1.26 -5.03 105.19 102.27 2kr6 n GLY 402 Ca 0.00 0.33 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 2kr6 n GLY 402 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kr6 s ASP 403 N -1.40 3.91 0.07 1.61 -1.08 -1.26 -5.04 116.67 113.47 2kr6 s ASP 403 Ca 0.02 -1.34 -0.24 0.00 -0.52 0.00 0.00 52.55 50.47 2kr6 s ASP 403 Cb -0.00 -0.40 -0.10 0.00 -1.46 0.00 0.00 42.92 40.95 2kr6 s ASP 403 CO 0.46 -0.44 1.39 -0.50 0.52 0.00 0.00 175.17 176.60 2kr6 h TRP 404 N 1.76 -1.07 0.00 -5.34 6.55 -2.02 -3.38 115.95 112.45 2kr6 h TRP 404 Ca -0.44 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.42 2kr6 h TRP 404 Cb 1.24 0.45 -0.02 0.00 -0.86 0.00 0.00 29.16 29.97 2kr6 h TRP 404 CO 0.73 -0.43 -0.49 0.27 -1.05 0.00 0.00 178.44 177.47 2kr6 n ASN 405 N -4.56 0.05 0.01 -3.49 0.23 -1.26 -4.72 115.26 101.53 2kr6 n ASN 405 Ca -0.06 -1.92 -0.01 0.00 -0.53 0.00 0.00 54.58 52.06 2kr6 n ASN 405 Cb 0.29 -0.19 -0.01 0.00 -2.08 0.00 0.00 39.78 37.80 2kr6 n ASN 405 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2kr6 h THR 406 N 6.83 0.00 0.00 5.53 2.02 -1.97 -3.29 112.91 122.03 2kr6 h THR 406 Ca -0.02 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.64 2kr6 h THR 406 Cb 1.40 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2kr6 h THR 406 CO 0.00 0.00 -0.80 0.74 0.37 0.00 0.00 175.52 175.83 2kr6 h THR 407 N -0.46 1.09 -0.49 3.16 2.02 -1.92 -2.93 112.91 113.38 2kr6 h THR 407 Ca -0.01 -2.12 0.10 0.00 0.77 0.00 0.00 66.41 65.15 2kr6 h THR 407 Cb 0.06 2.36 -0.09 0.00 -1.74 0.00 0.00 68.15 68.74 2kr6 h THR 407 CO 0.01 0.37 -0.09 -0.29 0.37 0.00 0.00 175.52 175.89 2kr6 h ILE 408 N -1.00 0.53 -0.09 3.11 2.10 -1.82 0.02 117.51 120.36 2kr6 h ILE 408 Ca -0.21 -0.01 -0.12 0.00 1.08 0.00 0.00 64.86 65.59 2kr6 h ILE 408 Cb 1.13 0.50 -0.01 0.00 -1.09 0.00 0.00 36.82 37.35 2kr6 h ILE 408 CO -0.13 0.00 -0.49 0.00 -1.08 0.00 0.00 178.15 176.45 2kr6 h ALA 409 N 1.48 1.01 0.62 0.18 0.00 -1.74 -1.83 119.26 118.98 2kr6 h ALA 409 Ca 0.24 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2kr6 h ALA 409 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kr6 h ALA 409 CO -0.49 0.65 -0.33 0.00 0.00 0.00 0.00 179.25 179.09 2kr6 h PHE 411 N -0.87 0.00 -0.27 0.00 -5.15 -1.21 -2.73 116.94 106.71 2kr6 h PHE 411 Ca -0.08 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.59 2kr6 h PHE 411 Cb 0.68 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.84 2kr6 h PHE 411 CO -0.05 0.37 -0.25 0.28 -2.00 0.00 0.00 178.31 176.66 2kr6 h VAL 412 N 0.00 1.27 0.08 0.88 2.07 -1.04 0.65 116.25 120.16 2kr6 h VAL 412 Ca -0.00 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 2kr6 h VAL 412 Cb 0.71 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2kr6 h VAL 412 CO 0.05 0.41 -0.04 0.00 0.02 0.00 0.00 177.57 178.00 2kr6 h ALA 413 N 1.28 -0.11 -0.39 1.67 0.00 -0.78 -1.11 119.26 119.82 2kr6 h ALA 413 Ca 0.07 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2kr6 h ALA 413 Cb 0.67 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2kr6 h ALA 413 CO 0.05 -0.25 0.00 -0.84 0.00 0.00 0.00 179.25 178.22 2kr6 h ILE 414 N -0.74 1.21 -0.24 0.00 -0.00 -1.50 -2.69 117.51 113.55 2kr6 h ILE 414 Ca -0.01 -0.85 -0.19 0.00 -0.00 0.00 0.00 64.86 63.81 2kr6 h ILE 414 Cb 0.58 0.92 0.00 0.00 -0.00 0.00 0.00 36.82 38.32 2kr6 h ILE 414 CO 0.02 0.30 -0.60 0.25 -0.00 0.00 0.00 178.15 178.12 2kr6 h LEU 415 N 0.58 0.88 -0.05 0.16 6.46 -0.92 -2.57 115.31 119.85 2kr6 h LEU 415 Ca 0.12 -0.49 0.02 0.00 -0.12 0.00 0.00 57.88 57.41 2kr6 h LEU 415 Cb 0.36 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 2kr6 h LEU 415 CO 0.01 1.28 -0.06 0.40 -0.62 0.00 0.00 178.44 179.45 2kr6 h ILE 416 N 0.58 0.83 0.27 4.05 1.08 -0.91 0.36 117.51 123.78 2kr6 h ILE 416 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2kr6 h ILE 416 Cb 1.20 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 2kr6 h ILE 416 CO 0.13 0.00 -0.13 1.23 -0.69 0.00 0.00 178.15 178.68 2kr6 h GLY 417 N -0.08 -0.39 0.85 5.37 0.00 -1.53 -1.84 103.07 105.46 2kr6 h GLY 417 Ca 0.04 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 2kr6 h GLY 417 CO -0.10 -0.14 -0.17 -2.00 0.00 0.00 0.00 176.54 174.13 2kr6 h LEU 418 N -0.52 -0.44 -1.46 3.11 5.85 -1.39 -2.18 115.31 118.28 2kr6 h LEU 418 Ca -0.04 0.04 0.20 0.00 0.84 0.00 0.00 57.88 58.91 2kr6 h LEU 418 Cb 0.39 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 2kr6 h LEU 418 CO 0.06 -0.27 0.59 0.00 -0.34 0.00 0.00 178.44 178.49 2kr6 h LEU 420 N 0.45 -1.19 -0.03 0.00 6.46 -0.66 0.40 115.31 120.74 2kr6 h LEU 420 Ca 0.47 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 58.34 2kr6 h LEU 420 Cb 1.11 0.42 -0.00 0.00 -0.73 0.00 0.00 40.66 41.46 2kr6 h LEU 420 CO -0.19 -0.49 -0.00 0.74 -0.62 0.00 0.00 178.44 177.88 2kr6 h THR 421 N -0.70 1.27 -0.82 1.05 2.02 -1.38 -2.57 112.91 111.77 2kr6 h THR 421 Ca -0.03 -0.82 0.21 0.00 0.77 0.00 0.00 66.41 66.54 2kr6 h THR 421 Cb 0.65 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.78 2kr6 h THR 421 CO -0.14 0.22 0.57 0.25 0.37 0.00 0.00 175.52 176.78 2kr6 h LEU 422 N -0.28 0.20 -0.02 2.58 7.12 -0.90 -1.09 115.31 122.93 2kr6 h LEU 422 Ca 0.01 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.02 2kr6 h LEU 422 Cb 0.35 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 2kr6 h LEU 422 CO 0.00 0.09 -0.04 0.25 -0.13 0.00 0.00 178.44 178.61 2kr6 h LEU 423 N 0.21 0.07 -1.49 2.25 6.46 0.00 0.34 115.31 123.14 2kr6 h LEU 423 Ca 0.41 -0.59 0.22 0.00 -0.12 0.00 0.00 57.88 57.80 2kr6 h LEU 423 Cb 1.29 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 41.13 2kr6 h LEU 423 CO -0.09 0.64 0.62 -0.07 -0.62 0.00 0.00 178.44 178.93 2kr6 h LEU 424 N -0.51 0.41 0.14 2.25 -0.00 -0.81 0.27 115.31 117.06 2kr6 h LEU 424 Ca -0.00 0.05 -0.36 0.00 -0.00 0.00 0.00 57.88 57.57 2kr6 h LEU 424 Cb 0.63 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 2kr6 h LEU 424 CO 0.01 0.14 -1.88 -0.07 -0.00 0.00 0.00 178.44 176.64 2kr6 h LEU 425 N 0.39 0.48 -1.73 1.67 3.38 -1.42 -2.58 115.31 115.51 2kr6 h LEU 425 Ca 0.50 -0.94 0.01 0.00 0.09 0.00 0.00 57.88 57.54 2kr6 h LEU 425 Cb 1.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2kr6 h LEU 425 CO -0.20 1.83 0.19 0.00 0.09 0.00 0.00 178.44 180.35 2kr6 h ALA 426 N 0.07 1.82 0.05 1.53 0.00 0.74 0.28 119.26 123.75 2kr6 h ALA 426 Ca -0.39 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 2kr6 h ALA 426 Cb 2.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 2kr6 h ALA 426 CO 0.11 0.17 -1.25 0.82 0.00 0.00 0.00 179.25 179.10 2kr6 h ILE 427 N 0.37 1.02 -0.85 0.00 2.04 -0.64 -3.37 117.51 116.09 2kr6 h ILE 427 Ca 0.11 -2.29 0.04 0.00 1.00 0.00 0.00 64.86 63.71 2kr6 h ILE 427 Cb -0.02 2.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 2kr6 h ILE 427 CO -0.02 0.55 0.55 0.15 0.00 0.00 0.00 178.15 179.38 2kr6 h PHE 428 N -0.63 1.00 0.00 1.37 3.57 -1.31 -3.45 116.94 117.48 2kr6 h PHE 428 Ca -0.30 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.22 2kr6 h PHE 428 Cb 1.51 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2kr6 h PHE 428 CO 0.13 0.57 0.00 1.63 -2.23 0.00 0.00 178.31 178.41 2kr6 n LYS 429 N -4.45 0.00 0.00 1.11 5.02 0.39 -5.07 118.16 115.16 2kr6 n LYS 429 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2kr6 n LYS 429 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 2kr6 n LYS 429 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2kr6 n LYS 430 N -1.29 0.00 0.14 1.97 2.85 0.69 -4.77 118.16 117.75 2kr6 n LYS 430 Ca 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 2kr6 n LYS 430 Cb 0.00 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.45 2kr6 n LYS 430 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kr6 h ALA 431 N 0.00 0.68 -6.06 0.58 0.00 -1.85 -3.45 119.26 109.16 2kr6 h ALA 431 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2kr6 h ALA 431 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.86 2kr6 h ALA 431 CO 0.00 0.00 -0.77 -0.11 0.00 0.00 0.00 179.25 178.37 2kr6 n LEU 432 N -2.80 -3.75 0.22 0.00 7.94 -1.26 -4.88 117.00 112.47 2kr6 n LEU 432 Ca 0.02 -0.80 0.08 0.00 -1.11 0.00 0.00 56.01 54.20 2kr6 n LEU 432 Cb 0.54 -2.54 0.47 0.00 0.53 0.00 0.00 43.42 42.42 2kr6 n LEU 432 CO 0.38 0.11 0.79 1.55 -1.11 0.00 0.00 177.39 179.11 2kr6 h PRO 433 N -1.12 0.00 0.00 1.96 0.13 -1.97 -3.44 132.00 127.56 2kr6 h PRO 433 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2kr6 h PRO 433 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2kr6 h PRO 433 CO 0.42 0.27 0.00 0.00 -0.23 0.00 0.00 178.00 178.46 2kr6 n ALA 434 N -2.29 0.00 -2.17 -0.56 0.00 -1.26 -3.81 120.51 110.42 2kr6 n ALA 434 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2kr6 n ALA 434 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 2kr6 n ALA 434 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kr6 s LEU 435 N -0.49 2.30 -0.75 0.00 1.02 -1.26 -5.09 118.68 114.41 2kr6 s LEU 435 Ca 0.00 -1.08 -0.26 0.00 0.02 0.00 0.00 54.13 52.82 2kr6 s LEU 435 Cb 0.00 0.04 -0.03 0.00 0.02 0.00 0.00 46.19 46.21 2kr6 s LEU 435 CO 0.00 -0.56 1.90 -2.16 0.02 0.00 0.00 176.35 175.56 2kr6 s PRO 436 N -3.90 2.59 -0.28 1.29 0.04 -1.26 -4.21 135.00 129.27 2kr6 s PRO 436 Ca 0.16 0.19 -0.06 0.00 0.04 0.00 0.00 61.00 61.33 2kr6 s PRO 436 Cb 0.06 -4.70 0.01 0.00 0.04 0.00 0.00 34.50 29.91 2kr6 s PRO 436 CO -0.03 -3.04 0.17 -0.89 0.04 0.00 0.00 177.00 173.26 2kr6 n ILE 437 N 7.52 -9.05 -4.16 0.56 5.41 -1.26 -5.05 119.36 113.34 2kr6 n ILE 437 Ca 0.30 1.24 -0.10 0.00 1.00 0.00 0.00 62.75 65.19 2kr6 n ILE 437 Cb 0.50 -5.88 -0.10 0.00 -0.71 0.00 0.00 39.64 33.45 2kr6 n ILE 437 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2kr6 s SER 438 N -1.67 0.53 -0.38 4.38 0.15 -1.26 -5.12 113.70 110.33 2kr6 s SER 438 Ca 0.08 -1.16 0.02 0.00 0.70 0.00 0.00 55.95 55.58 2kr6 s SER 438 Cb -0.02 0.24 0.15 0.00 -1.71 0.00 0.00 66.02 64.69 2kr6 s SER 438 CO 0.62 -0.67 0.26 -0.63 1.20 0.00 0.00 173.24 174.02 2kr6 s ILE 439 N -3.94 0.26 0.57 6.45 1.01 -1.26 -5.05 121.20 119.23 2kr6 s ILE 439 Ca 0.21 -2.12 0.06 0.00 0.00 0.00 0.00 60.65 58.80 2kr6 s ILE 439 Cb 0.07 -1.20 0.06 0.00 0.01 0.00 0.00 42.46 41.41 2kr6 s ILE 439 CO 0.00 -1.09 0.53 0.42 0.00 0.00 0.00 174.94 174.80 2kr6 s THR 440 N 0.64 1.69 0.66 2.92 -4.23 -1.26 -5.06 115.64 110.99 2kr6 s THR 440 Ca 0.24 -1.36 -0.18 0.00 -1.18 0.00 0.00 61.69 59.22 2kr6 s THR 440 Cb -0.12 -2.04 -0.00 0.00 1.34 0.00 0.00 72.50 71.67 2kr6 s THR 440 CO -0.08 0.00 1.28 -0.36 -0.54 0.00 0.00 174.62 174.93 2kr6 s PHE 441 N -2.77 2.08 0.63 3.99 0.08 -1.26 -4.85 117.98 115.87 2kr6 s PHE 441 Ca 0.41 1.50 0.38 0.00 0.12 0.00 0.00 56.93 59.34 2kr6 s PHE 441 Cb -0.03 -3.66 2.17 0.00 -0.57 0.00 0.00 43.02 40.92 2kr6 s PHE 441 CO 0.26 -2.87 2.32 0.78 -0.10 0.00 0.00 175.22 175.61 2kr6 h GLY 442 N 0.44 0.00 0.45 4.36 0.00 -1.91 -2.68 103.07 103.73 2kr6 h GLY 442 Ca -0.51 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2kr6 h GLY 442 CO 0.53 0.00 -0.22 1.41 0.00 0.00 0.00 176.54 178.26 2kr6 h LEU 443 N 0.00 -0.51 -1.13 3.11 3.38 -1.94 0.41 115.31 118.62 2kr6 h LEU 443 Ca 0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2kr6 h LEU 443 Cb 0.00 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2kr6 h LEU 443 CO -0.00 -0.36 0.59 0.58 0.09 0.00 0.00 178.44 179.35 2kr6 h VAL 444 N -0.63 1.08 -0.44 1.22 2.07 -1.91 -2.10 116.25 115.54 2kr6 h VAL 444 Ca -0.06 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 2kr6 h VAL 444 Cb 0.47 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2kr6 h VAL 444 CO 0.10 0.19 0.09 -0.26 0.02 0.00 0.00 177.57 177.71 2kr6 h PHE 445 N 1.06 0.76 -0.02 1.57 -1.00 -1.43 0.73 116.94 118.62 2kr6 h PHE 445 Ca 0.39 -0.10 0.03 0.00 2.81 0.00 0.00 57.97 61.10 2kr6 h PHE 445 Cb 0.16 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.46 2kr6 h PHE 445 CO -0.00 0.72 -0.28 -0.92 -1.61 0.00 0.00 178.31 176.22 2kr6 h TYR 446 N 0.59 -0.75 0.00 -0.55 3.20 0.50 0.23 116.97 120.20 2kr6 h TYR 446 Ca 0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2kr6 h TYR 446 Cb 0.35 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2kr6 h TYR 446 CO 0.02 -0.37 0.00 0.35 -1.64 0.00 0.00 178.16 176.53 2kr6 h PHE 447 N -0.41 0.00 0.09 -3.82 3.57 -1.45 -0.82 116.94 114.10 2kr6 h PHE 447 Ca 0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2kr6 h PHE 447 Cb 0.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2kr6 h PHE 447 CO -0.32 0.00 -0.04 0.00 -2.23 0.00 0.00 178.31 175.72 2kr6 h ALA 448 N 2.22 -0.12 0.00 2.41 0.00 0.74 -3.33 119.26 121.18 2kr6 h ALA 448 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kr6 h ALA 448 Cb 0.58 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2kr6 h ALA 448 CO 0.00 -0.16 0.00 1.79 0.00 0.00 0.00 179.25 180.88 2kr6 h THR 449 N -0.93 0.00 -0.04 0.00 1.35 -0.65 -3.24 112.91 109.40 2kr6 h THR 449 Ca -0.01 -0.66 0.01 0.00 -0.55 0.00 0.00 66.41 65.20 2kr6 h THR 449 Cb 0.52 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2kr6 h THR 449 CO 0.02 0.00 0.25 -0.78 -0.25 0.00 0.00 175.52 174.76 2kr6 h ASP 450 N 0.00 0.00 -0.36 5.36 3.58 -1.24 0.20 116.42 123.96 2kr6 h ASP 450 Ca 0.00 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.52 2kr6 h ASP 450 Cb 0.82 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.80 2kr6 h ASP 450 CO 0.00 0.00 -0.10 1.88 -2.88 0.00 0.00 179.24 178.14 2kr6 h TYR 451 N 0.00 -0.23 0.00 0.28 -1.99 -1.73 -3.39 116.97 109.91 2kr6 h TYR 451 Ca 0.02 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2kr6 h TYR 451 Cb 0.52 0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.41 2kr6 h TYR 451 CO 0.00 -0.17 -0.13 1.28 -0.00 0.00 0.00 178.16 179.14 2kr6 n LEU 452 N -5.30 0.01 0.05 3.88 4.77 -0.79 -4.92 117.00 114.72 2kr6 n LEU 452 Ca 0.01 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 2kr6 n LEU 452 Cb 0.21 0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 2kr6 n LEU 452 CO 0.16 -0.52 0.51 0.58 -1.33 0.00 0.00 177.39 176.79 2kr6 h VAL 453 N 0.00 0.00 -5.72 4.08 2.07 -1.26 -3.47 116.25 111.95 2kr6 h VAL 453 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 2kr6 h VAL 453 Cb 0.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2kr6 h VAL 453 CO 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 177.57 176.97 2kr6 n GLN 454 N -5.45 -2.00 0.00 1.57 6.02 0.49 -4.95 117.38 113.07 2kr6 n GLN 454 Ca -0.07 1.72 0.00 0.00 -0.01 0.00 0.00 57.00 58.64 2kr6 n GLN 454 Cb 0.40 -4.57 0.00 0.00 1.02 0.00 0.00 30.24 27.08 2kr6 n GLN 454 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2kr6 n PRO 455 N -0.78 -0.95 -0.03 -1.09 -0.04 -1.26 -4.83 135.00 126.02 2kr6 n PRO 455 Ca 0.01 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 2kr6 n PRO 455 Cb 0.54 0.00 0.28 0.00 -0.04 0.00 0.00 33.50 34.28 2kr6 n PRO 455 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2kr6 h PHE 456 N -1.48 0.61 -0.87 0.54 -1.00 -1.95 -2.41 116.94 110.39 2kr6 h PHE 456 Ca 0.00 -0.06 0.22 0.00 2.81 0.00 0.00 57.97 60.95 2kr6 h PHE 456 Cb 0.00 -0.18 -0.05 0.00 3.61 0.00 0.00 35.95 39.33 2kr6 h PHE 456 CO 0.00 0.57 0.60 1.98 -1.61 0.00 0.00 178.31 179.85 2kr6 h MET 457 N 0.57 0.21 0.05 1.51 4.05 -1.92 -0.93 114.93 118.48 2kr6 h MET 457 Ca 0.12 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 2kr6 h MET 457 Cb 0.31 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 2kr6 h MET 457 CO 0.01 0.14 -0.02 -0.44 0.23 0.00 0.00 176.91 176.82 2kr6 h ASP 458 N 0.22 -0.06 -0.62 1.39 5.19 -1.75 0.26 116.42 121.05 2kr6 h ASP 458 Ca 0.44 -0.33 0.12 0.00 -0.62 0.00 0.00 57.03 56.63 2kr6 h ASP 458 Cb 1.38 0.02 -0.09 0.00 0.18 0.00 0.00 39.33 40.81 2kr6 h ASP 458 CO -0.10 0.30 0.14 1.56 -3.12 0.00 0.00 179.24 178.03 2kr6 h GLN 459 N -0.43 0.27 0.00 3.56 4.20 -1.26 0.89 115.11 122.34 2kr6 h GLN 459 Ca -0.01 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 2kr6 h GLN 459 Cb 0.39 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2kr6 h GLN 459 CO 0.01 0.18 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.01 2kr6 h LEU 460 N 0.28 0.00 -0.35 1.46 4.07 -1.44 -3.25 115.31 116.08 2kr6 h LEU 460 Ca 0.33 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.21 2kr6 h LEU 460 Cb 0.49 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 2kr6 h LEU 460 CO -0.40 0.27 -0.09 0.00 -1.08 0.00 0.00 178.44 177.14 2kr6 h ALA 461 N 1.73 0.48 -3.29 1.53 0.00 0.19 -3.49 119.26 116.40 2kr6 h ALA 461 Ca -0.00 -0.30 0.37 0.00 0.00 0.00 0.00 54.91 54.98 2kr6 h ALA 461 Cb 1.11 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.64 2kr6 h ALA 461 CO 0.04 0.33 -0.77 1.19 0.00 0.00 0.00 179.25 180.03 2kr6 n PHE 462 N -4.40 -3.68 -0.07 0.00 3.72 -0.29 -4.70 117.46 108.03 2kr6 n PHE 462 Ca -0.02 1.90 -0.03 0.00 -0.05 0.00 0.00 57.45 59.25 2kr6 n PHE 462 Cb 0.34 -3.34 -0.16 0.00 -0.94 0.00 0.00 39.48 35.38 2kr6 n PHE 462 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2kr6 n HIS 463 N -4.27 0.00 -2.66 1.38 8.25 -1.26 -4.97 115.22 111.69 2kr6 n HIS 463 Ca -0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.12 2kr6 n HIS 463 Cb 0.66 -0.82 -0.04 0.00 1.12 0.00 0.00 29.99 30.91 2kr6 n HIS 463 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2kr6 s GLN 464 N -2.83 3.98 -0.35 -0.41 2.00 -1.26 -4.57 119.66 116.22 2kr6 s GLN 464 Ca -0.09 0.86 -0.09 0.00 -2.00 0.00 0.00 55.36 54.03 2kr6 s GLN 464 Cb 0.09 -2.23 0.01 0.00 0.80 0.00 0.00 33.01 31.68 2kr6 s GLN 464 CO 0.85 -0.12 0.29 1.19 -0.50 0.00 0.00 175.29 177.00 2kr6 n PHE 465 N -1.19 -3.44 -1.52 1.67 3.72 -1.26 -4.74 117.46 110.70 2kr6 n PHE 465 Ca 0.05 1.46 -0.44 0.00 -0.05 0.00 0.00 57.45 58.48 2kr6 n PHE 465 Cb 0.54 -3.70 -0.06 0.00 -0.94 0.00 0.00 39.48 35.32 2kr6 n PHE 465 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2kr6 n TYR 466 N 0.27 1.57 -0.97 1.38 4.19 -1.26 -5.04 117.16 117.31 2kr6 n TYR 466 Ca 0.04 0.13 0.00 0.00 3.31 0.00 0.00 57.90 61.39 2kr6 n TYR 466 Cb 0.27 -2.60 0.00 0.00 0.49 0.00 0.00 39.34 37.50 2kr6 n TYR 466 CO 0.00 0.00 0.00 1.51 0.91 0.00 0.00 176.86 179.28