#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jci s SER 106 N 0.00 6.46 0.05 7.28 0.01 -1.26 -4.39 113.70 121.86 2jci s SER 106 Ca 0.00 0.55 0.02 0.00 1.31 0.00 0.00 55.95 57.82 2jci s SER 106 Cb 0.00 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 2jci s SER 106 CO 0.00 0.18 -0.07 -1.83 0.41 0.00 0.00 173.24 171.93 2jci s GLU 107 N 0.03 0.59 -0.08 12.44 -1.05 -0.55 -0.20 118.70 129.88 2jci s GLU 107 Ca 0.17 -0.91 0.04 0.00 -0.15 0.00 0.00 54.97 54.12 2jci s GLU 107 Cb -0.13 -0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.32 2jci s GLU 107 CO 0.05 0.02 -0.21 0.42 0.95 0.00 0.00 175.26 176.49 2jci s ILE 108 N -2.02 2.39 0.11 1.83 1.01 -0.26 -0.59 121.20 123.68 2jci s ILE 108 Ca -0.04 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.74 2jci s ILE 108 Cb -0.06 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 2jci s ILE 108 CO -0.01 0.56 -0.16 0.42 0.00 0.00 0.00 174.94 175.75 2jci s THR 109 N 0.01 1.39 1.13 2.92 -4.23 -0.42 0.19 115.64 116.62 2jci s THR 109 Ca -0.07 -1.61 -0.19 0.00 -1.18 0.00 0.00 61.69 58.64 2jci s THR 109 Cb -0.15 -1.46 0.12 0.00 1.34 0.00 0.00 72.50 72.36 2jci s THR 109 CO 0.05 -0.30 0.04 -1.22 -0.54 0.00 0.00 174.62 172.65 2jci n TYR 110 N 0.78 -1.47 0.38 3.99 4.01 0.28 -1.09 117.16 124.04 2jci n TYR 110 Ca -0.17 0.11 0.11 0.00 -0.16 0.00 0.00 57.90 57.78 2jci n TYR 110 Cb 0.56 -1.55 0.45 0.00 -0.31 0.00 0.00 39.34 38.49 2jci n TYR 110 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2jci n SER 111 N -1.83 0.52 -1.79 7.72 3.41 -0.59 -2.38 113.62 118.67 2jci n SER 111 Ca 0.01 0.64 0.05 0.00 -0.26 0.00 0.00 58.87 59.31 2jci n SER 111 Cb 0.61 -0.75 0.37 0.00 -0.26 0.00 0.00 64.21 64.19 2jci n SER 111 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2jci n ASP 112 N -2.09 5.36 0.00 4.04 5.75 -1.26 -4.97 116.55 123.39 2jci n ASP 112 Ca 0.02 -3.01 0.00 0.00 -0.01 0.00 0.00 54.79 51.79 2jci n ASP 112 Cb 0.19 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 2jci n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jci n GLY 113 N 0.34 2.15 3.60 6.12 0.00 -1.00 -5.01 105.19 111.38 2jci n GLY 113 Ca 0.29 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.86 2jci n GLY 113 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jci n THR 114 N -0.88 1.75 -2.81 2.61 -1.04 -1.26 -4.65 114.28 107.99 2jci n THR 114 Ca 0.00 -0.44 -0.42 0.00 -2.04 0.00 0.00 64.05 61.15 2jci n THR 114 Cb 0.00 -1.07 -0.04 0.00 -1.82 0.00 0.00 70.33 67.41 2jci n THR 114 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jci s VAL 115 N -0.85 4.75 -0.04 12.58 1.01 -1.26 -0.55 120.40 136.03 2jci s VAL 115 Ca 0.61 1.63 -0.14 0.00 0.00 0.00 0.00 61.98 64.09 2jci s VAL 115 Cb -0.71 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.39 2jci s VAL 115 CO 0.58 -0.18 0.58 0.40 0.00 0.00 0.00 175.10 176.48 2jci h ILE 116 N 5.51 0.00 -2.35 2.22 2.04 -0.58 -3.47 117.51 120.88 2jci h ILE 116 Ca -0.22 -0.60 0.12 0.00 1.00 0.00 0.00 64.86 65.16 2jci h ILE 116 Cb 1.08 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2jci h ILE 116 CO 0.92 0.00 0.45 0.00 0.00 0.00 0.00 178.15 179.52 2jci n ALA 117 N -2.71 -2.06 -2.55 1.87 0.00 -1.00 -5.01 120.51 109.05 2jci n ALA 117 Ca -0.06 -0.80 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 2jci n ALA 117 Cb 0.19 0.45 -0.09 0.00 0.00 0.00 0.00 19.45 20.01 2jci n ALA 117 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jci s SER 118 N -2.88 6.24 -0.35 0.00 0.01 -1.26 -1.10 113.70 114.35 2jci s SER 118 Ca 0.18 -0.16 -0.23 0.00 1.31 0.00 0.00 55.95 57.05 2jci s SER 118 Cb -0.02 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.99 2jci s SER 118 CO 0.04 -0.40 0.78 0.27 0.41 0.00 0.00 173.24 174.34 2jci s ILE 119 N 2.17 4.75 -0.08 1.44 -0.00 0.72 -4.99 121.20 125.21 2jci s ILE 119 Ca 0.15 0.92 -0.04 0.00 -0.00 0.00 0.00 60.65 61.68 2jci s ILE 119 Cb -0.16 -4.19 -0.01 0.00 -0.00 0.00 0.00 42.46 38.09 2jci s ILE 119 CO 0.12 -0.40 -0.08 -0.78 -0.00 0.00 0.00 174.94 173.81 2jci h ASP 337 N 8.42 0.00 -0.69 4.36 1.82 -2.03 -3.35 116.42 124.95 2jci h ASP 337 Ca -0.25 0.00 0.27 0.00 -0.39 0.00 0.00 57.03 56.66 2jci h ASP 337 Cb 1.09 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 40.98 2jci h ASP 337 CO 0.90 0.41 0.29 -1.22 -1.61 0.00 0.00 179.24 178.01 2jci n TYR 338 N -3.65 0.72 -0.00 0.28 4.01 -1.26 -1.35 117.16 115.90 2jci n TYR 338 Ca -0.03 0.81 -0.11 0.00 -0.16 0.00 0.00 57.90 58.41 2jci n TYR 338 Cb 0.12 -1.19 -0.06 0.00 -0.31 0.00 0.00 39.34 37.90 2jci n TYR 338 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2jci h LEU 339 N 0.00 0.10 0.73 7.72 5.85 -1.99 -0.05 115.31 127.68 2jci h LEU 339 Ca 0.54 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.17 2jci h LEU 339 Cb 1.39 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 2jci h LEU 339 CO -0.56 0.13 -0.43 0.22 -0.34 0.00 0.00 178.44 177.47 2jci h TYR 340 N 0.06 -1.15 -0.74 1.25 5.03 -1.65 -2.18 116.97 117.60 2jci h TYR 340 Ca 0.03 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.27 2jci h TYR 340 Cb 0.05 0.40 -0.03 0.00 1.55 0.00 0.00 36.73 38.70 2jci h TYR 340 CO -0.05 -0.66 0.23 0.74 -1.32 0.00 0.00 178.16 177.10 2jci h PHE 341 N -1.09 1.20 -0.10 -3.82 0.04 -1.40 0.54 116.94 112.31 2jci h PHE 341 Ca -0.10 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 60.55 2jci h PHE 341 Cb 0.87 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 2jci h PHE 341 CO -0.09 0.95 0.06 1.15 -0.60 0.00 0.00 178.31 179.78 2jci h THR 342 N 1.11 1.07 -0.06 -1.55 2.02 -1.03 0.19 112.91 114.66 2jci h THR 342 Ca 0.24 -0.17 -0.14 0.00 0.77 0.00 0.00 66.41 67.10 2jci h THR 342 Cb 0.31 1.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2jci h THR 342 CO -0.01 0.06 -0.52 0.71 0.37 0.00 0.00 175.52 176.13 2jci h THR 343 N 0.09 1.39 -0.59 3.16 1.35 -1.05 -1.23 112.91 116.03 2jci h THR 343 Ca 0.04 -1.91 0.11 0.00 -0.55 0.00 0.00 66.41 64.10 2jci h THR 343 Cb 0.04 2.35 -0.12 0.00 -1.73 0.00 0.00 68.15 68.70 2jci h THR 343 CO -0.01 0.56 -0.25 0.25 -0.25 0.00 0.00 175.52 175.83 2jci h LEU 344 N 0.01 -0.88 -0.44 3.87 5.85 -0.91 0.24 115.31 123.05 2jci h LEU 344 Ca -0.05 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2jci h LEU 344 Cb 1.19 0.48 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 2jci h LEU 344 CO 0.11 -0.27 0.27 0.00 -0.34 0.00 0.00 178.44 178.22 2jci h ALA 345 N 1.28 0.56 -0.28 1.25 0.00 -0.26 0.43 119.26 122.25 2jci h ALA 345 Ca 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2jci h ALA 345 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jci h ALA 345 CO -0.66 0.04 0.07 1.49 0.00 0.00 0.00 179.25 180.20 2jci h GLU 346 N 0.59 0.45 -0.77 0.00 4.81 -0.80 -1.37 114.58 117.48 2jci h GLU 346 Ca 0.16 -0.10 0.17 0.00 -0.13 0.00 0.00 59.36 59.45 2jci h GLU 346 Cb -0.02 -0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.19 2jci h GLU 346 CO -0.03 0.53 0.23 0.00 -0.73 0.00 0.00 179.01 179.01 2jci h ALA 347 N 0.90 1.06 -0.89 2.92 0.00 -0.67 0.11 119.26 122.69 2jci h ALA 347 Ca 0.09 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2jci h ALA 347 Cb 0.28 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2jci h ALA 347 CO 0.00 -0.32 0.49 1.96 0.00 0.00 0.00 179.25 181.38 2jci h GLN 348 N 0.32 1.24 -0.10 0.00 4.20 -0.54 0.19 115.11 120.42 2jci h GLN 348 Ca 0.44 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.89 2jci h GLN 348 Cb 0.77 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2jci h GLN 348 CO -0.50 0.90 -0.49 0.93 -0.67 0.00 0.00 178.83 179.00 2jci h GLU 349 N 1.25 0.25 -0.37 1.46 4.39 0.01 0.36 114.58 121.93 2jci h GLU 349 Ca 0.31 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.73 2jci h GLU 349 Cb 0.02 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2jci h GLU 349 CO -0.05 0.69 -0.33 0.00 -1.16 0.00 0.00 179.01 178.16 2jci h ARG 350 N 0.20 0.87 -0.34 2.33 2.47 -0.27 -2.26 114.38 117.38 2jci h ARG 350 Ca 0.01 -0.45 -0.00 0.00 -1.26 0.00 0.00 59.98 58.28 2jci h ARG 350 Cb 0.94 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.26 2jci h ARG 350 CO 0.08 1.09 0.20 1.98 0.56 0.00 0.00 179.97 183.88 2jci h MET 351 N 0.68 0.47 -0.66 0.04 4.05 -0.47 -1.79 114.93 117.24 2jci h MET 351 Ca 0.06 -0.05 0.13 0.00 -0.28 0.00 0.00 59.70 59.57 2jci h MET 351 Cb 0.92 -0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 31.53 2jci h MET 351 CO 0.08 0.37 0.16 -0.92 0.23 0.00 0.00 176.91 176.83 2jci h TYR 352 N 0.44 0.26 -0.70 1.39 3.20 -0.91 0.11 116.97 120.76 2jci h TYR 352 Ca 0.12 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2jci h TYR 352 Cb 0.03 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2jci h TYR 352 CO -0.04 -0.04 0.31 -0.44 -1.64 0.00 0.00 178.16 176.32 2jci h ASP 353 N 0.28 0.92 0.09 -2.11 3.32 -0.76 -0.86 116.42 117.30 2jci h ASP 353 Ca 0.36 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 2jci h ASP 353 Cb 0.55 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2jci h ASP 353 CO -0.44 0.79 -0.04 0.22 -1.72 0.00 0.00 179.24 178.05 2jci h TYR 354 N 1.00 -0.11 -0.66 4.55 5.03 -0.36 -1.62 116.97 124.80 2jci h TYR 354 Ca 0.24 -0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.69 2jci h TYR 354 Cb 0.14 0.04 -0.12 0.00 1.55 0.00 0.00 36.73 38.34 2jci h TYR 354 CO 0.01 0.39 -0.04 -0.07 -1.32 0.00 0.00 178.16 177.13 2jci h LEU 355 N -0.72 -0.38 -0.27 2.82 3.38 -0.81 0.28 115.31 119.61 2jci h LEU 355 Ca -0.01 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2jci h LEU 355 Cb 0.56 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2jci h LEU 355 CO 0.02 -0.16 0.14 0.00 0.09 0.00 0.00 178.44 178.53 2jci h ALA 356 N 1.62 0.35 -0.48 1.53 0.00 -1.09 -0.37 119.26 120.83 2jci h ALA 356 Ca 0.34 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2jci h ALA 356 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2jci h ALA 356 CO -0.60 -0.10 -0.12 0.37 0.00 0.00 0.00 179.25 178.79 2jci h GLN 357 N 0.32 0.93 -0.36 0.00 4.15 -0.83 -0.69 115.11 118.62 2jci h GLN 357 Ca 0.09 -0.36 0.07 0.00 0.77 0.00 0.00 58.65 59.23 2jci h GLN 357 Cb 0.09 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.66 2jci h GLN 357 CO -0.01 1.02 -0.12 -0.09 -1.93 0.00 0.00 178.83 177.69 2jci h ARG 358 N 0.78 -0.04 -0.57 1.69 2.43 -0.20 0.23 114.38 118.70 2jci h ARG 358 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2jci h ARG 358 Cb 0.68 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2jci h ARG 358 CO 0.05 -0.03 0.00 -0.25 -1.51 0.00 0.00 179.97 178.23 2jci n ASP 359 N -5.31 1.95 -4.26 -3.80 8.00 -0.17 -4.87 116.55 108.09 2jci n ASP 359 Ca 0.01 -2.16 -0.36 0.00 0.71 0.00 0.00 54.79 53.00 2jci n ASP 359 Cb 0.23 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 2jci n ASP 359 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jci n ASN 360 N 0.20 -2.30 0.20 -2.24 5.15 0.82 -4.86 115.26 112.25 2jci n ASN 360 Ca 0.09 -1.08 -0.15 0.00 -0.60 0.00 0.00 54.58 52.84 2jci n ASN 360 Cb 0.39 -2.48 -0.08 0.00 -0.53 0.00 0.00 39.78 37.08 2jci n ASN 360 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2jci h VAL 361 N -1.45 0.66 -4.56 3.44 2.07 -1.39 -3.50 116.25 111.53 2jci h VAL 361 Ca -0.60 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2jci h VAL 361 Cb 1.38 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2jci h VAL 361 CO 0.78 0.04 -0.95 -1.54 0.02 0.00 0.00 177.57 175.92 2jci n SER 362 N -5.25 -9.26 0.00 0.57 3.41 -1.26 -4.69 113.62 97.14 2jci n SER 362 Ca -0.10 1.73 0.00 0.00 -0.26 0.00 0.00 58.87 60.23 2jci n SER 362 Cb 0.24 -5.06 0.00 0.00 -0.26 0.00 0.00 64.21 59.12 2jci n SER 362 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jci n ALA 363 N 1.79 0.00 0.20 7.33 0.00 -1.26 -3.10 120.51 125.46 2jci n ALA 363 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2jci n ALA 363 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 2jci n ALA 363 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2jci h LYS 364 N 0.00 0.00 -0.55 0.00 5.09 -2.01 -2.03 116.57 117.06 2jci h LYS 364 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.63 2jci h LYS 364 Cb 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.31 2jci h LYS 364 CO 0.00 0.34 -0.10 1.49 -2.09 0.00 0.00 179.45 179.09 2jci h GLU 365 N 0.00 1.04 0.00 0.07 4.81 -1.82 -2.62 114.58 116.06 2jci h GLU 365 Ca -0.00 -0.38 -0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2jci h GLU 365 Cb 0.85 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 2jci h GLU 365 CO 0.04 1.08 -0.02 -0.07 -0.73 0.00 0.00 179.01 179.31 2jci h LEU 366 N 0.93 0.00 -0.32 1.64 3.38 -1.52 -2.87 115.31 116.55 2jci h LEU 366 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2jci h LEU 366 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2jci h LEU 366 CO 0.05 0.02 -0.43 0.11 0.09 0.00 0.00 178.44 178.28 2jci h LYS 367 N 0.00 0.00 -6.60 1.13 1.57 -1.36 -3.42 116.57 107.90 2jci h LYS 367 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2jci h LYS 367 Cb 0.05 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.42 2jci h LYS 367 CO 0.00 0.43 0.94 -1.71 -0.57 0.00 0.00 179.45 178.54 2jci n ASN 368 N -3.30 3.68 0.13 0.86 5.15 -1.08 -4.91 115.26 115.79 2jci n ASN 368 Ca 0.01 1.07 0.02 0.00 -0.60 0.00 0.00 54.58 55.08 2jci n ASN 368 Cb 0.65 -1.52 0.01 0.00 -0.53 0.00 0.00 39.78 38.38 2jci n ASN 368 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 2jci h GLU 369 N 6.53 0.00 -0.84 1.20 4.11 -1.89 -1.37 114.58 122.32 2jci h GLU 369 Ca -0.44 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.96 2jci h GLU 369 Cb 1.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 2jci h GLU 369 CO 0.93 0.53 0.39 0.00 0.07 0.00 0.00 179.01 180.94 2jci h ALA 370 N 1.45 1.11 0.04 1.06 0.00 -1.96 0.20 119.26 121.15 2jci h ALA 370 Ca -0.01 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.45 2jci h ALA 370 Cb 1.43 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 18.91 2jci h ALA 370 CO 0.07 0.67 -1.11 1.79 0.00 0.00 0.00 179.25 180.67 2jci h THR 371 N 1.20 1.29 -0.73 0.00 1.35 -1.86 -1.03 112.91 113.12 2jci h THR 371 Ca 0.29 -2.33 0.16 0.00 -0.55 0.00 0.00 66.41 63.98 2jci h THR 371 Cb 0.13 2.48 -0.13 0.00 -1.73 0.00 0.00 68.15 68.91 2jci h THR 371 CO -0.03 0.72 -0.04 -0.61 -0.25 0.00 0.00 175.52 175.31 2jci h GLN 372 N 0.35 0.08 -0.54 4.72 4.15 -0.94 0.51 115.11 123.43 2jci h GLN 372 Ca -0.15 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.20 2jci h GLN 372 Cb 1.76 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.42 2jci h GLN 372 CO 0.21 0.05 0.09 -0.22 -1.93 0.00 0.00 178.83 177.03 2jci h LYS 373 N 0.08 0.90 -0.57 1.69 3.64 -0.28 -1.69 116.57 120.33 2jci h LYS 373 Ca 0.39 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2jci h LYS 373 Cb 0.67 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2jci h LYS 373 CO -0.67 0.87 0.32 0.35 -2.27 0.00 0.00 179.45 178.06 2jci h PHE 374 N 0.79 0.78 -0.28 1.91 3.57 0.27 -1.50 116.94 122.48 2jci h PHE 374 Ca 0.16 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.49 2jci h PHE 374 Cb 0.41 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 2jci h PHE 374 CO 0.03 0.56 -0.48 1.88 -2.23 0.00 0.00 178.31 178.07 2jci h TYR 375 N 0.77 0.93 -0.53 0.41 -1.99 -0.79 -0.61 116.97 115.17 2jci h TYR 375 Ca 0.20 -0.31 0.04 0.00 2.00 0.00 0.00 58.73 60.67 2jci h TYR 375 Cb 0.03 -0.18 -0.04 0.00 2.00 0.00 0.00 36.73 38.53 2jci h TYR 375 CO -0.02 1.09 0.28 0.00 -0.00 0.00 0.00 178.16 179.51 2jci h ARG 376 N 0.60 0.53 -0.53 4.88 3.08 -1.11 0.42 114.38 122.25 2jci h ARG 376 Ca 0.03 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2jci h ARG 376 Cb 1.05 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 2jci h ARG 376 CO 0.10 0.35 0.00 0.22 -1.07 0.00 0.00 179.97 179.58 2jci h ASP 377 N 0.55 0.86 -0.02 7.04 1.82 -1.04 -1.14 116.42 124.50 2jci h ASP 377 Ca 0.23 -0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jci h ASP 377 Cb 0.11 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 39.89 2jci h ASP 377 CO -0.14 0.92 -0.00 0.25 -1.61 0.00 0.00 179.24 178.66 2jci h LEU 378 N 0.83 0.04 -0.58 2.28 5.85 -0.43 -1.23 115.31 122.07 2jci h LEU 378 Ca 0.16 -0.32 0.11 0.00 0.84 0.00 0.00 57.88 58.67 2jci h LEU 378 Cb 0.49 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.39 2jci h LEU 378 CO 0.02 0.35 -0.22 0.00 -0.34 0.00 0.00 178.44 178.25 2jci h ALA 379 N 0.69 0.22 0.36 1.25 0.00 -0.08 0.15 119.26 121.85 2jci h ALA 379 Ca 0.01 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2jci h ALA 379 Cb 0.33 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2jci h ALA 379 CO 0.00 -0.53 -0.17 0.00 0.00 0.00 0.00 179.25 178.55 2jci h ALA 380 N 1.36 -0.48 -0.97 0.00 0.00 -1.09 -2.56 119.26 115.52 2jci h ALA 380 Ca 0.27 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2jci h ALA 380 Cb 0.49 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 2jci h ALA 380 CO -0.64 -0.76 0.61 0.87 0.00 0.00 0.00 179.25 179.34 2jci h LYS 381 N -0.50 1.03 -0.50 0.00 1.57 -0.81 -1.42 116.57 115.94 2jci h LYS 381 Ca -0.05 -0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.77 2jci h LYS 381 Cb 0.38 -0.23 -0.09 0.00 0.08 0.00 0.00 32.23 32.36 2jci h LYS 381 CO 0.08 0.68 -0.11 0.93 -0.57 0.00 0.00 179.45 180.47 2jci h GLU 382 N 1.06 0.01 -0.47 3.15 4.39 -0.51 0.19 114.58 122.41 2jci h GLU 382 Ca 0.44 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.12 2jci h GLU 382 Cb 0.28 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2jci h GLU 382 CO -0.21 0.01 0.21 0.82 -1.16 0.00 0.00 179.01 178.68 2jci h ILE 383 N 0.01 1.20 0.00 3.13 2.04 -0.86 0.58 117.51 123.61 2jci h ILE 383 Ca 0.24 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 2jci h ILE 383 Cb 0.37 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2jci h ILE 383 CO -0.50 0.22 -0.22 -0.33 0.00 0.00 0.00 178.15 177.32 2jci h GLU 384 N 0.62 0.00 0.00 2.37 5.08 -1.10 -3.39 114.58 118.16 2jci h GLU 384 Ca 0.16 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 2jci h GLU 384 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jci h GLU 384 CO -0.02 0.22 -1.11 0.09 -1.00 0.00 0.00 179.01 177.20 2jci n ASN 385 N -3.31 1.86 -3.62 1.42 4.13 0.64 -4.66 115.26 111.71 2jci n ASN 385 Ca 0.01 0.48 -0.19 0.00 1.68 0.00 0.00 54.58 56.57 2jci n ASN 385 Cb 0.47 -0.89 0.15 0.00 -1.54 0.00 0.00 39.78 37.97 2jci n ASN 385 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jci n GLY 386 N 1.48 -2.50 2.62 7.41 0.00 0.12 -4.89 105.19 109.43 2jci n GLY 386 Ca -0.24 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 2jci n GLY 386 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jci n GLY 387 N 2.43 3.76 3.80 -0.02 0.00 -1.26 -3.98 105.19 109.91 2jci n GLY 387 Ca 0.06 -2.30 -0.38 0.00 0.00 0.00 0.00 46.02 43.39 2jci n GLY 387 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jci s TYR 388 N -1.41 3.71 -0.33 1.61 2.02 -1.26 -2.08 117.35 119.61 2jci s TYR 388 Ca 0.31 1.09 -0.14 0.00 -0.37 0.00 0.00 57.07 57.96 2jci s TYR 388 Cb 0.04 -2.45 -0.02 0.00 -0.40 0.00 0.00 41.96 39.13 2jci s TYR 388 CO -0.13 0.50 0.33 0.21 -1.57 0.00 0.00 175.55 174.88 2jci s LYS 389 N -0.65 3.64 -0.35 -0.62 2.20 0.28 -1.49 119.74 122.75 2jci s LYS 389 Ca 0.27 -0.39 -0.07 0.00 -0.36 0.00 0.00 55.97 55.42 2jci s LYS 389 Cb -0.18 -3.78 0.05 0.00 -1.51 0.00 0.00 37.83 32.42 2jci s LYS 389 CO 0.15 -0.45 0.13 0.42 -0.36 0.00 0.00 175.35 175.24 2jci s ILE 390 N 1.95 3.84 -0.20 5.43 1.01 0.25 -0.78 121.20 132.70 2jci s ILE 390 Ca 0.11 -1.20 -0.09 0.00 0.00 0.00 0.00 60.65 59.47 2jci s ILE 390 Cb -0.17 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 2jci s ILE 390 CO 0.11 -0.24 0.12 0.42 0.00 0.00 0.00 174.94 175.34 2jci s THR 391 N 1.40 5.21 0.47 2.92 -4.23 0.05 -1.30 115.64 120.16 2jci s THR 391 Ca -0.01 0.12 0.08 0.00 -1.18 0.00 0.00 61.69 60.70 2jci s THR 391 Cb -0.20 -3.38 0.03 0.00 1.34 0.00 0.00 72.50 70.29 2jci s THR 391 CO 0.03 0.43 0.65 0.42 -0.54 0.00 0.00 174.62 175.60 2jci s THR 392 N 0.52 2.73 -1.41 3.99 -4.23 -0.25 -1.64 115.64 115.35 2jci s THR 392 Ca 0.07 -0.98 0.29 0.00 -1.18 0.00 0.00 61.69 59.89 2jci s THR 392 Cb -0.12 -2.76 0.45 0.00 1.34 0.00 0.00 72.50 71.41 2jci s THR 392 CO -0.00 0.00 1.96 0.35 -0.54 0.00 0.00 174.62 176.39 2jci n THR 393 N -2.00 0.00 -2.05 3.99 -2.24 0.12 -2.87 114.28 109.23 2jci n THR 393 Ca 0.10 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 2jci n THR 393 Cb 0.60 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 2jci n THR 393 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jci s ILE 394 N -2.62 2.90 -0.33 2.28 -1.09 -1.24 -4.44 121.20 116.66 2jci s ILE 394 Ca 0.26 0.67 -0.17 0.00 -2.23 0.00 0.00 60.65 59.19 2jci s ILE 394 Cb 0.20 -3.43 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 2jci s ILE 394 CO 0.48 0.07 0.45 -0.62 -1.23 0.00 0.00 174.94 174.09 2jci s ASP 395 N 0.87 6.27 0.19 3.58 -1.08 -0.21 -1.55 116.67 124.74 2jci s ASP 395 Ca 0.65 -0.01 -0.12 0.00 -0.52 0.00 0.00 52.55 52.55 2jci s ASP 395 Cb -0.40 -2.24 0.16 0.00 -1.46 0.00 0.00 42.92 38.97 2jci s ASP 395 CO 0.34 -0.38 1.80 -0.61 0.52 0.00 0.00 175.17 176.84 2jci h GLN 396 N 8.39 0.56 -0.14 4.34 4.15 -1.94 -1.58 115.11 128.90 2jci h GLN 396 Ca -0.29 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.01 2jci h GLN 396 Cb 1.14 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.70 2jci h GLN 396 CO 0.73 0.37 -0.25 0.87 -1.93 0.00 0.00 178.83 178.61 2jci h LYS 397 N 0.57 0.41 -0.23 1.69 1.79 -1.94 -2.20 116.57 116.67 2jci h LYS 397 Ca 0.24 -0.26 0.05 0.00 -2.18 0.00 0.00 60.65 58.50 2jci h LYS 397 Cb 0.12 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.75 2jci h LYS 397 CO -0.15 0.86 -0.10 0.82 -1.08 0.00 0.00 179.45 179.79 2jci h ILE 398 N 0.02 0.67 -0.32 1.86 2.04 -1.85 -1.62 117.51 118.30 2jci h ILE 398 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 2jci h ILE 398 Cb 0.84 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2jci h ILE 398 CO 0.06 0.00 0.19 -0.74 0.00 0.00 0.00 178.15 177.65 2jci h HIS 399 N -0.07 0.35 -0.61 1.37 2.76 -1.09 0.31 115.15 118.17 2jci h HIS 399 Ca 0.12 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2jci h HIS 399 Cb 0.25 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.08 2jci h HIS 399 CO -0.27 0.21 0.10 0.77 -1.30 0.00 0.00 177.93 177.43 2jci h SER 400 N 0.38 0.95 -0.50 3.26 0.02 -1.44 -0.62 113.55 115.60 2jci h SER 400 Ca 0.12 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2jci h SER 400 Cb -0.01 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 2jci h SER 400 CO -0.05 0.95 0.25 0.00 -1.14 0.00 0.00 176.83 176.83 2jci h ALA 401 N 1.16 0.63 -0.50 3.77 0.00 -0.21 0.25 119.26 124.37 2jci h ALA 401 Ca 0.19 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2jci h ALA 401 Cb 0.41 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2jci h ALA 401 CO 0.01 -0.11 0.33 0.52 0.00 0.00 0.00 179.25 180.00 2jci h MET 402 N 0.48 0.52 -0.06 0.00 2.86 -0.02 0.29 114.93 119.00 2jci h MET 402 Ca 0.22 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.76 2jci h MET 402 Cb 0.14 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2jci h MET 402 CO -0.16 0.35 -0.23 1.96 1.06 0.00 0.00 176.91 179.89 2jci h GLN 403 N 0.54 0.26 -0.73 1.72 1.08 0.51 -2.41 115.11 116.06 2jci h GLN 403 Ca 0.20 -0.20 0.08 0.00 -1.45 0.00 0.00 58.65 57.29 2jci h GLN 403 Cb 0.13 0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.53 2jci h GLN 403 CO -0.05 0.83 0.40 0.77 -0.95 0.00 0.00 178.83 179.83 2jci h SER 404 N -0.27 0.56 -0.42 1.46 0.02 -0.34 -2.16 113.55 112.40 2jci h SER 404 Ca -0.01 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2jci h SER 404 Cb 0.87 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 2jci h SER 404 CO 0.05 0.33 0.26 0.00 -1.14 0.00 0.00 176.83 176.33 2jci h ALA 405 N 1.41 0.54 0.00 3.77 0.00 -0.33 0.14 119.26 124.79 2jci h ALA 405 Ca 0.35 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 2jci h ALA 405 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jci h ALA 405 CO -0.23 -0.06 -0.41 -0.24 0.00 0.00 0.00 179.25 178.30 2jci h VAL 406 N 0.52 0.94 -0.30 0.00 3.04 -1.26 0.34 116.25 119.52 2jci h VAL 406 Ca 0.17 -1.65 -0.14 0.00 -1.01 0.00 0.00 66.70 64.07 2jci h VAL 406 Cb -0.00 2.00 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2jci h VAL 406 CO -0.07 0.40 -0.36 0.00 -1.01 0.00 0.00 177.57 176.54 2jci h ALA 407 N 1.59 0.45 0.07 3.17 0.00 -0.96 -1.10 119.26 122.47 2jci h ALA 407 Ca -0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 2jci h ALA 407 Cb 0.96 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.67 2jci h ALA 407 CO 0.05 0.52 -1.11 -0.44 0.00 0.00 0.00 179.25 178.28 2jci h ASP 408 N 0.54 0.53 -0.00 0.00 3.32 -0.55 -3.40 116.42 116.86 2jci h ASP 408 Ca 0.04 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2jci h ASP 408 Cb 0.94 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2jci h ASP 408 CO 0.09 1.33 -0.21 -1.22 -1.72 0.00 0.00 179.24 177.51 2jci n TYR 409 N -3.67 0.00 -0.29 4.55 4.01 0.12 -4.61 117.16 117.28 2jci n TYR 409 Ca -0.08 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.84 2jci n TYR 409 Cb 0.93 0.00 0.47 0.00 -0.31 0.00 0.00 39.34 40.44 2jci n TYR 409 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2jci h GLY 410 N 1.20 1.12 1.99 2.72 0.00 -1.29 0.46 103.07 109.27 2jci h GLY 410 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2jci h GLY 410 CO 0.00 -0.04 0.00 0.10 0.00 0.00 0.00 176.54 176.60 2jci h TYR 411 N 0.47 0.00 0.00 5.60 -0.00 -1.81 -0.88 116.97 120.35 2jci h TYR 411 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.25 2jci h TYR 411 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.94 2jci h TYR 411 CO -0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 178.09 2jci h LEU 412 N 0.00 0.00 0.00 0.10 3.38 -1.25 -1.59 115.31 115.96 2jci h LEU 412 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jci h LEU 412 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2jci h LEU 412 CO 0.00 0.00 -0.89 -0.07 0.09 0.00 0.00 178.44 177.57 2jci h LEU 413 N 0.00 0.00-10.04 1.67 3.38 -1.33 -3.45 115.31 105.54 2jci h LEU 413 Ca 0.00 -0.06 -0.50 0.00 0.09 0.00 0.00 57.88 57.40 2jci h LEU 413 Cb 0.27 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.09 2jci h LEU 413 CO 0.00 0.03 0.46 -1.81 0.09 0.00 0.00 178.44 177.21 2jci s ASP 414 N -5.09 5.99 0.00 -0.43 1.01 -0.60 -4.75 116.67 112.80 2jci s ASP 414 Ca 0.01 2.23 0.00 0.00 0.71 0.00 0.00 52.55 55.51 2jci s ASP 414 Cb 0.10 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.44 2jci s ASP 414 CO 0.77 -1.03 0.60 -0.90 0.21 0.00 0.00 175.17 174.82 2jci n ASP 415 N -0.84 0.00 0.00 0.27 5.75 -1.26 -4.97 116.55 115.50 2jci n ASP 415 Ca 0.09 -1.34 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 2jci n ASP 415 Cb 0.49 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2jci n ASP 415 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jci n GLY 416 N 0.00 0.85 0.10 6.12 0.00 -1.26 -4.82 105.19 106.18 2jci n GLY 416 Ca 0.00 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.70 2jci n GLY 416 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jci n THR 417 N -2.33 1.45 0.00 2.61 -2.24 -1.26 -5.02 114.28 107.49 2jci n THR 417 Ca 0.00 -1.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.08 2jci n THR 417 Cb 0.02 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2jci n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jci n GLY 418 N -1.05 -2.27 3.64 3.38 0.00 -1.26 -4.95 105.19 102.68 2jci n GLY 418 Ca 0.11 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 2jci n GLY 418 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jci s ARG 419 N -0.52 4.03 -0.20 1.61 6.06 -1.26 -4.06 118.95 124.62 2jci s ARG 419 Ca 0.00 1.36 -0.22 0.00 -2.50 0.00 0.00 55.73 54.37 2jci s ARG 419 Cb 0.00 -3.82 -0.02 0.00 0.06 0.00 0.00 34.95 31.17 2jci s ARG 419 CO 0.00 -0.96 0.68 0.08 -2.50 0.00 0.00 175.30 172.60 2jci s VAL 420 N 4.01 4.98 0.84 7.11 1.01 -1.26 -4.88 120.40 132.21 2jci s VAL 420 Ca 0.54 1.30 -0.13 0.00 0.00 0.00 0.00 61.98 63.70 2jci s VAL 420 Cb -0.18 -3.99 0.10 0.00 0.00 0.00 0.00 36.38 32.31 2jci s VAL 420 CO 0.19 0.08 1.20 -1.61 0.00 0.00 0.00 175.10 174.96 2jci s GLU 421 N 2.06 1.71 -0.10 2.72 0.41 0.12 -4.86 118.70 120.75 2jci s GLU 421 Ca 0.31 0.00 -0.17 0.00 -0.41 0.00 0.00 54.97 54.70 2jci s GLU 421 Cb -0.16 -1.93 0.04 0.00 -1.78 0.00 0.00 34.13 30.30 2jci s GLU 421 CO 0.10 -1.75 0.42 0.54 -0.49 0.00 0.00 175.26 174.09 2jci s VAL 422 N -3.63 0.02 -0.01 2.63 0.11 -1.26 -2.43 120.40 115.82 2jci s VAL 422 Ca 0.64 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.54 2jci s VAL 422 Cb -0.10 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.10 2jci s VAL 422 CO 0.50 -0.09 -0.02 -0.83 -3.33 0.00 0.00 175.10 171.33 2jci s GLY 423 N -0.46 0.20 0.01 6.54 0.00 -0.31 -3.06 107.32 110.23 2jci s GLY 423 Ca -0.06 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.66 2jci s GLY 423 CO 0.03 0.19 -0.04 -1.31 0.00 0.00 0.00 173.10 171.97 2jci s ASN 424 N 0.40 0.50 -0.06 1.64 0.01 -1.04 -0.36 114.94 116.03 2jci s ASN 424 Ca -0.04 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 2jci s ASN 424 Cb -0.07 -0.02 0.02 0.00 0.41 0.00 0.00 41.25 41.59 2jci s ASN 424 CO -0.01 -0.02 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.83 2jci s VAL 425 N -0.40 0.61 -0.27 1.60 1.01 -1.11 -0.18 120.40 121.65 2jci s VAL 425 Ca -0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 2jci s VAL 425 Cb -0.03 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2jci s VAL 425 CO -0.00 0.26 0.30 -0.22 0.00 0.00 0.00 175.10 175.44 2jci s LEU 426 N 1.22 4.04 -0.04 3.92 2.96 -0.32 -1.72 118.68 128.73 2jci s LEU 426 Ca -0.06 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 2jci s LEU 426 Cb -0.14 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.25 2jci s LEU 426 CO -0.02 -0.13 -0.20 -0.32 -1.32 0.00 0.00 176.35 174.36 2jci s MET 427 N 1.94 1.95 -0.10 1.98 -2.45 0.38 -0.62 119.30 122.38 2jci s MET 427 Ca 0.12 -0.72 -0.29 0.00 -1.25 0.00 0.00 55.69 53.54 2jci s MET 427 Cb -0.16 -1.73 -0.04 0.00 1.25 0.00 0.00 34.83 34.16 2jci s MET 427 CO 0.10 0.33 1.45 0.34 1.05 0.00 0.00 175.02 178.30 2jci s ASP 428 N -0.15 6.81 0.55 1.11 -1.08 0.44 -1.60 116.67 122.76 2jci s ASP 428 Ca -0.01 1.97 0.34 0.00 -0.52 0.00 0.00 52.55 54.33 2jci s ASP 428 Cb -0.11 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 40.20 2jci s ASP 428 CO 0.02 -0.83 1.99 0.78 0.52 0.00 0.00 175.17 177.64 2jci h ASN 429 N 8.80 0.00 0.74 -0.34 2.35 -0.01 -1.69 115.58 125.44 2jci h ASN 429 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2jci h ASN 429 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.51 2jci h ASN 429 CO 0.96 0.00 -0.72 0.00 -1.65 0.00 0.00 177.43 176.02 2jci n GLN 430 N -3.06 0.28 0.00 0.81 6.02 -1.26 -4.50 117.38 115.67 2jci n GLN 430 Ca 0.01 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2jci n GLN 430 Cb 0.30 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.90 2jci n GLN 430 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jci n THR 431 N -2.05 0.00 -0.92 5.09 -2.24 -1.19 -4.96 114.28 108.00 2jci n THR 431 Ca 0.03 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2jci n THR 431 Cb 0.43 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 2jci n THR 431 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jci n GLY 432 N 1.87 0.40 3.77 3.38 0.00 -0.64 -4.49 105.19 109.48 2jci n GLY 432 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2jci n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jci s ALA 433 N -2.03 2.93 -0.32 4.61 0.00 -1.26 -2.44 121.76 123.25 2jci s ALA 433 Ca 0.00 0.95 -0.10 0.00 0.00 0.00 0.00 51.96 52.82 2jci s ALA 433 Cb 0.00 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 2jci s ALA 433 CO 0.00 -0.73 0.16 0.42 0.00 0.00 0.00 175.76 175.61 2jci s ILE 434 N -1.55 4.56 0.01 0.00 1.01 -1.00 -0.42 121.20 123.82 2jci s ILE 434 Ca 0.65 -0.51 0.10 0.00 0.00 0.00 0.00 60.65 60.90 2jci s ILE 434 Cb -0.29 -3.36 -0.13 0.00 0.01 0.00 0.00 42.46 38.68 2jci s ILE 434 CO 0.35 0.02 1.24 -0.07 0.00 0.00 0.00 174.94 176.47 2jci h LEU 435 N 8.36 0.00 -7.03 2.97 3.38 -1.08 -3.30 115.31 118.61 2jci h LEU 435 Ca -0.31 0.00 0.39 0.00 0.09 0.00 0.00 57.88 58.05 2jci h LEU 435 Cb 1.14 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 2jci h LEU 435 CO 0.62 0.84 0.97 -0.83 0.09 0.00 0.00 178.44 180.14 2jci s GLY 436 N -4.69 -0.50 0.17 0.83 0.00 -1.24 -1.04 107.32 100.85 2jci s GLY 436 Ca 0.01 0.94 -0.24 0.00 0.00 0.00 0.00 44.72 45.43 2jci s GLY 436 CO 0.80 0.17 0.77 -0.11 0.00 0.00 0.00 173.10 174.73 2jci s PHE 437 N -2.07 -0.30 -0.14 1.90 -0.12 -1.26 -1.18 117.98 114.82 2jci s PHE 437 Ca 0.15 0.01 0.02 0.00 -0.05 0.00 0.00 56.93 57.06 2jci s PHE 437 Cb 0.08 0.62 0.01 0.00 -0.63 0.00 0.00 43.02 43.09 2jci s PHE 437 CO -0.07 -0.91 -0.22 0.08 -0.05 0.00 0.00 175.22 174.06 2jci s VAL 438 N -3.58 2.11 -0.16 -2.49 1.01 0.74 -4.76 120.40 113.26 2jci s VAL 438 Ca 0.07 -0.97 0.18 0.00 0.00 0.00 0.00 61.98 61.26 2jci s VAL 438 Cb -0.03 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 2jci s VAL 438 CO -0.03 0.55 1.04 1.23 0.00 0.00 0.00 175.10 177.89 2jci h GLY 439 N 7.26 0.00 0.00 4.51 0.00 -1.84 -2.75 103.07 110.24 2jci h GLY 439 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2jci h GLY 439 CO 0.55 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.70 2jci n GLY 440 N 1.31 -0.82 0.35 4.60 0.00 -1.17 -0.97 105.19 108.48 2jci n GLY 440 Ca -0.05 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.75 2jci n GLY 440 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jci h ARG 441 N 0.00 1.09 -0.33 1.61 2.47 -1.89 -3.44 114.38 113.89 2jci h ARG 441 Ca 0.00 -0.12 0.19 0.00 -1.26 0.00 0.00 59.98 58.79 2jci h ARG 441 Cb 0.00 -0.22 -0.19 0.00 -1.65 0.00 0.00 29.97 27.91 2jci h ARG 441 CO 0.00 0.80 -0.06 1.21 0.56 0.00 0.00 179.97 182.48 2jci s ASN 442 N -6.34 -0.53 0.32 7.04 3.04 -1.26 -4.72 114.94 112.49 2jci s ASN 442 Ca -0.12 0.03 0.07 0.00 0.04 0.00 0.00 52.86 52.89 2jci s ASN 442 Cb 0.17 1.27 0.92 0.00 -1.54 0.00 0.00 41.25 42.07 2jci s ASN 442 CO 0.81 -0.09 1.58 0.22 -3.04 0.00 0.00 177.10 176.58 2jci h TYR 443 N 7.17 0.25 0.00 0.43 5.03 -1.85 0.12 116.97 128.12 2jci h TYR 443 Ca -0.08 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 2jci h TYR 443 Cb 1.18 0.05 -0.00 0.00 1.55 0.00 0.00 36.73 39.51 2jci h TYR 443 CO -0.09 -0.42 -0.06 1.96 -1.32 0.00 0.00 178.16 178.23 2jci h GLN 444 N 0.04 0.00 0.01 1.82 1.08 -2.01 -3.08 115.11 112.96 2jci h GLN 444 Ca 0.67 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 57.52 2jci h GLN 444 Cb 1.50 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.87 2jci h GLN 444 CO -0.85 0.06 -2.16 0.39 -0.95 0.00 0.00 178.83 175.32 2jci n GLU 445 N -3.34 0.67 -3.66 1.46 1.02 0.34 -4.95 120.64 112.18 2jci n GLU 445 Ca -0.01 0.12 -0.07 0.00 -0.02 0.00 0.00 57.16 57.17 2jci n GLU 445 Cb 0.21 -1.62 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 2jci n GLU 445 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2jci s ASN 446 N -5.84 -0.68 0.00 1.62 3.84 -0.70 -5.07 114.94 108.12 2jci s ASN 446 Ca -0.11 1.22 0.18 0.00 0.21 0.00 0.00 52.86 54.36 2jci s ASN 446 Cb 0.07 1.44 -0.05 0.00 -0.55 0.00 0.00 41.25 42.17 2jci s ASN 446 CO 0.81 -0.22 0.90 0.00 -2.79 0.00 0.00 177.10 175.79 2jci n GLN 447 N 4.90 1.45 -1.71 0.43 3.00 -1.25 -3.86 117.38 120.34 2jci n GLN 447 Ca -0.15 -0.69 -0.43 0.00 -0.01 0.00 0.00 57.00 55.72 2jci n GLN 447 Cb 0.53 -1.34 -0.03 0.00 0.00 0.00 0.00 30.24 29.40 2jci n GLN 447 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2jci n ASN 448 N -0.38 3.70 -4.43 1.08 3.02 -1.26 -4.95 115.26 112.05 2jci n ASN 448 Ca 0.07 1.10 -0.44 0.00 -0.03 0.00 0.00 54.58 55.28 2jci n ASN 448 Cb 0.36 -1.54 -0.06 0.00 -0.61 0.00 0.00 39.78 37.92 2jci n ASN 448 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2jci s ASN 449 N 0.83 6.21 0.00 6.41 3.84 -1.26 -4.69 114.94 126.28 2jci s ASN 449 Ca 0.72 -1.05 0.29 0.00 0.21 0.00 0.00 52.86 53.02 2jci s ASN 449 Cb -0.54 -2.27 1.17 0.00 -0.55 0.00 0.00 41.25 39.06 2jci s ASN 449 CO 0.40 -0.87 1.85 1.41 -2.79 0.00 0.00 177.10 177.10 2jci n HIS 450 N 6.00 0.00 0.05 0.43 8.25 -0.14 -0.69 115.22 129.12 2jci n HIS 450 Ca -0.08 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.16 2jci n HIS 450 Cb 0.45 -0.33 -0.14 0.00 1.12 0.00 0.00 29.99 31.08 2jci n HIS 450 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jci h ALA 451 N 3.25 0.19 0.00 -1.41 0.00 -1.72 -3.40 119.26 116.17 2jci h ALA 451 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2jci h ALA 451 Cb 0.42 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2jci h ALA 451 CO 0.00 0.99 -1.39 1.19 0.00 0.00 0.00 179.25 180.04 2jci n PHE 452 N -3.68 0.00 -0.01 0.00 3.72 -1.17 -1.76 117.46 114.55 2jci n PHE 452 Ca -0.26 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.12 2jci n PHE 452 Cb 1.02 -0.22 -0.01 0.00 -0.94 0.00 0.00 39.48 39.34 2jci n PHE 452 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2jci n ASP 453 N -1.81 2.14 -4.62 4.37 8.00 0.14 -4.93 116.55 119.85 2jci n ASP 453 Ca -0.02 0.01 -0.46 0.00 0.71 0.00 0.00 54.79 55.03 2jci n ASP 453 Cb 0.26 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 2jci n ASP 453 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2jci n THR 454 N -2.82 1.19 -4.32 -3.53 -1.04 -1.07 -4.92 114.28 97.76 2jci n THR 454 Ca -0.05 -0.30 -0.30 0.00 -2.04 0.00 0.00 64.05 61.37 2jci n THR 454 Cb 0.54 -1.12 -0.17 0.00 -1.82 0.00 0.00 70.33 67.77 2jci n THR 454 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2jci s LYS 455 N -0.70 2.41 0.03 -2.82 1.02 -1.26 -3.80 119.74 114.62 2jci s LYS 455 Ca 0.68 -0.62 -0.00 0.00 0.02 0.00 0.00 55.97 56.05 2jci s LYS 455 Cb -0.74 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 2jci s LYS 455 CO 0.53 -0.12 -0.03 1.03 -0.92 0.00 0.00 175.35 175.84 2jci s ARG 456 N 1.15 0.41 0.16 1.68 1.81 -0.87 -4.69 118.95 118.58 2jci s ARG 456 Ca -0.02 -0.78 -0.34 0.00 -1.72 0.00 0.00 55.73 52.86 2jci s ARG 456 Cb -0.14 0.11 -0.15 0.00 -0.45 0.00 0.00 34.95 34.32 2jci s ARG 456 CO -0.05 -0.06 1.41 0.45 -0.68 0.00 0.00 175.30 176.36 2jci n SER 457 N 1.19 2.31 -0.07 0.23 2.88 -1.21 -1.14 113.62 117.81 2jci n SER 457 Ca -0.21 1.11 0.12 0.00 -1.33 0.00 0.00 58.87 58.56 2jci n SER 457 Cb 0.57 -1.32 0.67 0.00 -0.75 0.00 0.00 64.21 63.37 2jci n SER 457 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2jci n PRO 458 N 2.61 1.09 0.00 -1.46 -0.04 -1.26 -4.90 135.00 131.04 2jci n PRO 458 Ca 0.16 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2jci n PRO 458 Cb 0.26 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2jci n PRO 458 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jci n ALA 459 N -0.72 0.00 -0.34 0.55 0.00 -1.26 -2.75 120.51 115.99 2jci n ALA 459 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.61 2jci n ALA 459 Cb 0.12 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.61 2jci n ALA 459 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jci n SER 460 N 0.59 -0.56 0.10 0.00 3.41 -1.24 -1.73 113.62 114.20 2jci n SER 460 Ca 0.00 1.56 0.03 0.00 -0.26 0.00 0.00 58.87 60.20 2jci n SER 460 Cb 0.00 -0.37 0.05 0.00 -0.26 0.00 0.00 64.21 63.63 2jci n SER 460 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2jci n THR 461 N -5.33 0.00 0.08 6.66 -1.04 -1.11 -1.45 114.28 112.09 2jci n THR 461 Ca 0.10 0.53 0.03 0.00 -2.04 0.00 0.00 64.05 62.67 2jci n THR 461 Cb 0.37 -1.02 -0.03 0.00 -1.82 0.00 0.00 70.33 67.83 2jci n THR 461 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jci h THR 462 N 0.00 0.47 -0.45 12.58 1.03 -1.46 -3.39 112.91 121.69 2jci h THR 462 Ca 0.06 -1.82 0.08 0.00 -0.01 0.00 0.00 66.41 64.73 2jci h THR 462 Cb 1.11 2.03 -0.07 0.00 -1.07 0.00 0.00 68.15 70.15 2jci h THR 462 CO -0.00 0.27 0.01 0.11 -0.01 0.00 0.00 175.52 175.90 2jci h LYS 463 N 0.00 0.12 -0.45 0.00 1.57 -1.25 -1.03 116.57 115.52 2jci h LYS 463 Ca -0.08 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2jci h LYS 463 Cb 1.40 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.66 2jci h LYS 463 CO 0.04 0.08 0.23 -1.35 -0.57 0.00 0.00 179.45 177.88 2jci h PRO 464 N 0.12 0.61 0.14 3.15 0.11 -1.76 -0.67 132.00 133.70 2jci h PRO 464 Ca 0.22 -0.06 -0.25 0.00 0.11 0.00 0.00 66.00 66.03 2jci h PRO 464 Cb 0.33 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.32 2jci h PRO 464 CO -0.37 0.46 -1.19 -0.07 -0.21 0.00 0.00 178.00 176.63 2jci h LEU 465 N 0.62 0.45 0.00 2.35 3.38 -1.53 -0.47 115.31 120.12 2jci h LEU 465 Ca 0.16 -0.90 -0.02 0.00 0.09 0.00 0.00 57.88 57.21 2jci h LEU 465 Cb 0.04 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2jci h LEU 465 CO -0.02 1.54 -1.92 -0.11 0.09 0.00 0.00 178.44 178.02 2jci n LEU 466 N -3.98 0.00 0.00 1.67 0.00 -0.48 -3.89 117.00 110.32 2jci n LEU 466 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.81 2jci n LEU 466 Cb 0.89 0.03 0.00 0.00 0.00 0.00 0.00 43.42 44.34 2jci n LEU 466 CO 0.46 0.03 0.00 0.00 0.00 0.00 0.00 177.39 177.88 2jci n ALA 467 N -2.21 0.60 -0.05 1.96 0.00 -0.79 -4.64 120.51 115.38 2jci n ALA 467 Ca -0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 2jci n ALA 467 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 2jci n ALA 467 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2jci h TYR 468 N 0.00 0.45 -0.41 0.00 0.05 -1.32 -1.03 116.97 114.71 2jci h TYR 468 Ca 0.00 -0.16 0.03 0.00 0.05 0.00 0.00 58.73 58.65 2jci h TYR 468 Cb 0.00 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 2jci h TYR 468 CO 0.00 0.83 0.21 0.78 -1.05 0.00 0.00 178.16 178.93 2jci h GLY 469 N -0.06 0.56 0.67 3.88 0.00 -1.25 -1.78 103.07 105.09 2jci h GLY 469 Ca 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.20 2jci h GLY 469 CO 0.05 0.11 -0.23 -2.22 0.00 0.00 0.00 176.54 174.24 2jci h ILE 470 N 0.42 0.50 -0.73 2.60 2.04 -1.64 -0.31 117.51 120.38 2jci h ILE 470 Ca 0.18 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.13 2jci h ILE 470 Cb 0.08 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 2jci h ILE 470 CO -0.12 0.00 0.38 0.00 0.00 0.00 0.00 178.15 178.41 2jci h ALA 471 N 0.27 1.02 -0.13 1.87 0.00 -0.95 -0.54 119.26 120.80 2jci h ALA 471 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2jci h ALA 471 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jci h ALA 471 CO -0.09 -0.01 0.06 0.82 0.00 0.00 0.00 179.25 180.02 2jci h ILE 472 N 0.65 1.14 -0.38 0.00 2.04 -1.18 0.13 117.51 119.89 2jci h ILE 472 Ca 0.36 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.90 2jci h ILE 472 Cb 0.36 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2jci h ILE 472 CO -0.26 0.12 0.27 -0.78 0.00 0.00 0.00 178.15 177.50 2jci h ASP 473 N 0.06 0.13 -0.06 1.72 3.58 -0.07 -1.98 116.42 119.81 2jci h ASP 473 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2jci h ASP 473 Cb 0.15 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2jci h ASP 473 CO -0.00 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.44 2jci n GLN 474 N -4.46 1.67 -0.66 0.28 1.13 -0.31 -4.90 117.38 110.14 2jci n GLN 474 Ca 0.06 -0.98 0.00 0.00 -1.94 0.00 0.00 57.00 54.13 2jci n GLN 474 Cb 0.35 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.25 2jci n GLN 474 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jci n GLY 475 N 1.16 0.61 0.15 1.08 0.00 -0.75 -4.94 105.19 102.51 2jci n GLY 475 Ca 0.18 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.77 2jci n GLY 475 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jci n LEU 476 N 0.00 1.27 -3.59 0.99 4.77 0.41 -4.95 117.00 115.89 2jci n LEU 476 Ca 0.00 -0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 55.31 2jci n LEU 476 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2jci n LEU 476 CO 0.00 0.28 0.51 0.00 -1.33 0.00 0.00 177.39 176.85 2jci s MET 477 N -2.78 1.33 0.43 3.23 0.23 -1.19 -4.92 119.30 115.63 2jci s MET 477 Ca 0.11 -0.61 0.04 0.00 -1.03 0.00 0.00 55.69 54.20 2jci s MET 477 Cb 0.16 0.54 -0.02 0.00 -1.53 0.00 0.00 34.83 33.98 2jci s MET 477 CO 0.75 -0.59 0.14 0.20 -2.03 0.00 0.00 175.02 173.49 2jci s GLY 478 N -2.77 2.74 0.58 3.16 0.00 -1.26 -4.23 107.32 105.54 2jci s GLY 478 Ca 0.06 -1.07 0.28 0.00 0.00 0.00 0.00 44.72 43.99 2jci s GLY 478 CO -0.05 -1.85 1.97 1.48 0.00 0.00 0.00 173.10 174.65 2jci h SER 479 N 1.70 0.00 0.00 1.64 4.64 -1.43 -1.59 113.55 118.50 2jci h SER 479 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2jci h SER 479 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2jci h SER 479 CO 0.55 0.00 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.86 2jci n GLU 480 N -3.83 1.96 -1.45 4.77 -0.58 -1.26 -4.13 120.64 116.12 2jci n GLU 480 Ca 0.06 -1.64 -0.40 0.00 -0.42 0.00 0.00 57.16 54.76 2jci n GLU 480 Cb 0.55 -1.04 0.02 0.00 -0.57 0.00 0.00 31.44 30.40 2jci n GLU 480 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2jci n THR 481 N -0.66 1.81 -3.97 2.62 -1.04 -0.60 -4.23 114.28 108.21 2jci n THR 481 Ca 0.04 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.22 2jci n THR 481 Cb 0.42 -0.57 -0.06 0.00 -1.82 0.00 0.00 70.33 68.30 2jci n THR 481 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2jci s ILE 482 N -1.57 5.17 0.03 12.58 -1.09 -1.26 -1.71 121.20 133.35 2jci s ILE 482 Ca 0.64 -0.26 0.01 0.00 -2.23 0.00 0.00 60.65 58.81 2jci s ILE 482 Cb -0.55 -3.41 -0.02 0.00 -1.58 0.00 0.00 42.46 36.90 2jci s ILE 482 CO 0.58 0.32 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.80 2jci s LEU 483 N -1.89 2.26 -0.00 2.97 1.02 -0.57 -1.39 118.68 121.07 2jci s LEU 483 Ca 0.26 -0.55 -0.21 0.00 0.02 0.00 0.00 54.13 53.65 2jci s LEU 483 Cb -0.12 0.01 -0.05 0.00 0.02 0.00 0.00 46.19 46.04 2jci s LEU 483 CO 0.17 -0.28 0.61 -0.55 0.02 0.00 0.00 176.35 176.32 2jci s SER 484 N -1.60 6.99 -0.12 2.29 0.15 -0.69 -1.00 113.70 119.72 2jci s SER 484 Ca -0.12 1.18 0.16 0.00 0.70 0.00 0.00 55.95 57.87 2jci s SER 484 Cb -0.09 -2.38 0.37 0.00 -1.71 0.00 0.00 66.02 62.21 2jci s SER 484 CO -0.01 0.08 1.18 -3.20 1.20 0.00 0.00 173.24 172.49 2jci n ASN 485 N 2.80 1.44 -4.77 5.45 4.05 0.10 -3.22 115.26 121.11 2jci n ASN 485 Ca -0.06 -3.06 -0.37 0.00 0.45 0.00 0.00 54.58 51.54 2jci n ASN 485 Cb 0.51 -0.42 -0.00 0.00 1.23 0.00 0.00 39.78 41.10 2jci n ASN 485 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2jci s TYR 486 N -1.94 2.77 0.29 1.20 1.51 -1.23 -0.16 117.35 119.78 2jci s TYR 486 Ca 0.32 1.51 -0.29 0.00 -1.01 0.00 0.00 57.07 57.61 2jci s TYR 486 Cb 0.33 -3.43 -0.14 0.00 -0.11 0.00 0.00 41.96 38.61 2jci s TYR 486 CO -0.08 -1.72 1.16 -2.30 -1.11 0.00 0.00 175.55 171.50 2jci n PRO 487 N -0.65 1.66 -3.90 -1.71 -0.02 -1.25 -4.83 135.00 124.30 2jci n PRO 487 Ca 0.08 0.58 -0.09 0.00 -2.02 0.00 0.00 63.50 62.05 2jci n PRO 487 Cb 0.48 -2.06 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 2jci n PRO 487 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2jci s THR 488 N -0.88 0.04 0.06 3.45 -1.32 -1.26 -5.01 115.64 110.73 2jci s THR 488 Ca 0.60 -1.21 0.07 0.00 -1.21 0.00 0.00 61.69 59.93 2jci s THR 488 Cb -0.67 -1.83 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 2jci s THR 488 CO 0.59 -0.18 -0.14 0.20 -2.21 0.00 0.00 174.62 172.88 2jci s ASN 489 N -2.95 4.14 0.98 8.08 0.01 -1.26 -0.21 114.94 123.73 2jci s ASN 489 Ca 0.16 -0.38 -0.13 0.00 -0.71 0.00 0.00 52.86 51.80 2jci s ASN 489 Cb 0.01 -0.76 0.09 0.00 0.41 0.00 0.00 41.25 41.01 2jci s ASN 489 CO 0.01 0.23 0.60 0.49 -1.51 0.00 0.00 177.10 176.92 2jci n PHE 490 N 1.22 -0.83 -0.09 2.20 3.72 0.13 -4.86 117.46 118.94 2jci n PHE 490 Ca -0.15 0.24 0.18 0.00 -0.05 0.00 0.00 57.45 57.66 2jci n PHE 490 Cb 0.52 -1.81 0.60 0.00 -0.94 0.00 0.00 39.48 37.85 2jci n PHE 490 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jci h ALA 491 N -1.80 2.32 0.00 4.37 0.00 -2.00 0.14 119.26 122.29 2jci h ALA 491 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jci h ALA 491 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jci h ALA 491 CO 0.38 -0.50 0.00 0.27 0.00 0.00 0.00 179.25 179.40 2jci n ASN 492 N -4.42 0.00 0.00 0.00 0.23 -1.26 -4.91 115.26 104.90 2jci n ASN 492 Ca 0.12 -1.77 0.00 0.00 -0.53 0.00 0.00 54.58 52.41 2jci n ASN 492 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 2jci n ASN 492 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jci n GLY 493 N 0.44 2.90 3.77 4.83 0.00 0.04 -5.04 105.19 112.13 2jci n GLY 493 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2jci n GLY 493 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jci s ASN 494 N -1.61 6.58 0.30 1.61 0.02 -1.26 -4.75 114.94 115.83 2jci s ASN 494 Ca 0.00 2.68 -0.28 0.00 -1.02 0.00 0.00 52.86 54.24 2jci s ASN 494 Cb 0.00 -2.64 -0.09 0.00 0.02 0.00 0.00 41.25 38.53 2jci s ASN 494 CO 0.00 -0.67 1.01 -2.16 0.02 0.00 0.00 177.10 175.30 2jci s PRO 495 N -1.99 4.60 -0.25 -0.60 0.04 -1.26 0.17 135.00 135.70 2jci s PRO 495 Ca 0.52 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 2jci s PRO 495 Cb -0.39 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 2jci s PRO 495 CO 0.51 0.25 1.56 0.42 0.04 0.00 0.00 177.00 179.78 2jci s ILE 496 N -1.35 3.78 0.16 0.56 1.01 0.71 -4.80 121.20 121.27 2jci s ILE 496 Ca 0.47 0.87 -0.02 0.00 0.00 0.00 0.00 60.65 61.97 2jci s ILE 496 Cb -0.26 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 2jci s ILE 496 CO 0.32 -0.36 0.36 -0.04 0.00 0.00 0.00 174.94 175.22 2jci s MET 497 N 4.66 3.55 -0.08 2.79 -1.94 -1.26 -4.66 119.30 122.36 2jci s MET 497 Ca 0.68 -0.25 -0.03 0.00 -1.71 0.00 0.00 55.69 54.39 2jci s MET 497 Cb -0.22 -2.86 0.04 0.00 2.01 0.00 0.00 34.83 33.79 2jci s MET 497 CO 0.29 0.45 0.07 -0.47 -0.01 0.00 0.00 175.02 175.34 2jci s TYR 498 N -1.74 0.11 0.00 -0.03 5.04 -0.52 -4.77 117.35 115.44 2jci s TYR 498 Ca 0.39 0.10 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 2jci s TYR 498 Cb -0.12 -0.54 0.00 0.00 0.35 0.00 0.00 41.96 41.65 2jci s TYR 498 CO 0.27 -0.28 0.00 0.00 -1.34 0.00 0.00 175.55 174.20 2jci n ALA 499 N 5.29 0.00 -0.39 3.97 0.00 -1.26 -0.35 120.51 127.78 2jci n ALA 499 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.45 2jci n ALA 499 Cb 0.50 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.06 2jci n ALA 499 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jci n ASN 500 N 7.45 2.64 -4.70 0.00 3.02 -1.26 -4.97 115.26 117.44 2jci n ASN 500 Ca 0.00 -2.34 -0.36 0.00 -0.03 0.00 0.00 54.58 51.85 2jci n ASN 500 Cb 0.00 -0.23 -0.09 0.00 -0.61 0.00 0.00 39.78 38.85 2jci n ASN 500 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jci s SER 501 N -1.46 6.17 0.00 6.41 0.15 0.53 -4.95 113.70 120.54 2jci s SER 501 Ca 0.19 0.18 0.16 0.00 0.70 0.00 0.00 55.95 57.18 2jci s SER 501 Cb 0.14 -2.10 0.87 0.00 -1.71 0.00 0.00 66.02 63.22 2jci s SER 501 CO 0.07 0.12 1.45 0.29 1.20 0.00 0.00 173.24 176.37 2jci n LYS 502 N 3.89 0.31 0.00 5.44 5.02 -1.26 -1.43 118.16 130.13 2jci n LYS 502 Ca -0.15 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2jci n LYS 502 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2jci n LYS 502 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jci n GLY 503 N 0.08 1.18 0.00 0.72 0.00 -1.26 -3.79 105.19 102.12 2jci n GLY 503 Ca 0.09 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2jci n GLY 503 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jci n THR 504 N -0.35 0.00 -1.38 2.61 -2.24 0.77 -4.73 114.28 108.97 2jci n THR 504 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jci n THR 504 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2jci n THR 504 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jci n GLY 505 N 3.82 5.37 3.75 3.38 0.00 -1.25 -3.84 105.19 116.42 2jci n GLY 505 Ca 0.00 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 2jci n GLY 505 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jci s MET 506 N 2.85 2.35 0.06 1.61 -1.94 -1.26 -0.72 119.30 122.25 2jci s MET 506 Ca 0.00 1.49 -0.27 0.00 -1.71 0.00 0.00 55.69 55.20 2jci s MET 506 Cb 0.00 -1.89 0.09 0.00 2.01 0.00 0.00 34.83 35.04 2jci s MET 506 CO 0.00 -1.62 0.84 0.00 -0.01 0.00 0.00 175.02 174.23 2jci s MET 507 N -4.20 0.99 0.87 2.03 0.00 -0.17 -4.85 119.30 113.97 2jci s MET 507 Ca 0.68 -0.41 -0.12 0.00 0.00 0.00 0.00 55.69 55.84 2jci s MET 507 Cb -0.23 0.43 0.12 0.00 0.00 0.00 0.00 34.83 35.15 2jci s MET 507 CO 0.46 -0.44 1.16 0.95 0.00 0.00 0.00 175.02 177.16 2jci s THR 508 N -3.28 1.99 0.26 3.16 -4.23 -1.26 -1.52 115.64 110.76 2jci s THR 508 Ca 0.05 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.53 2jci s THR 508 Cb -0.01 -2.86 0.17 0.00 1.34 0.00 0.00 72.50 71.14 2jci s THR 508 CO -0.08 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.08 2jci h LEU 509 N -1.34 0.92 -0.74 4.79 5.85 -1.54 -1.90 115.31 121.36 2jci h LEU 509 Ca -0.48 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.15 2jci h LEU 509 Cb 1.33 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 2jci h LEU 509 CO 0.63 0.83 0.45 1.23 -0.34 0.00 0.00 178.44 181.23 2jci h GLY 510 N 1.06 1.08 1.70 3.75 0.00 -1.87 0.73 103.07 109.52 2jci h GLY 510 Ca 0.23 -0.33 -0.26 0.00 0.00 0.00 0.00 47.33 46.97 2jci h GLY 510 CO -0.02 0.25 -1.16 -2.09 0.00 0.00 0.00 176.54 173.52 2jci h GLU 511 N 0.85 0.23 -0.54 4.80 4.81 -1.90 -0.91 114.58 121.92 2jci h GLU 511 Ca 0.31 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2jci h GLU 511 Cb 0.10 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2jci h GLU 511 CO -0.15 1.16 0.33 0.00 -0.73 0.00 0.00 179.01 179.63 2jci h ALA 512 N 0.68 0.69 -0.47 2.92 0.00 -1.00 -2.01 119.26 120.07 2jci h ALA 512 Ca -0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 2jci h ALA 512 Cb 1.88 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2jci h ALA 512 CO 0.19 0.05 -0.24 -0.07 0.00 0.00 0.00 179.25 179.18 2jci h LEU 513 N 0.66 1.03 -0.19 0.00 3.38 -0.78 0.73 115.31 120.15 2jci h LEU 513 Ca 0.21 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 2jci h LEU 513 Cb -0.00 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2jci h LEU 513 CO -0.08 1.21 -0.34 0.78 0.09 0.00 0.00 178.44 180.09 2jci h ASN 514 N 0.86 0.63 1.16 -0.43 -0.26 -1.01 -2.97 115.58 113.56 2jci h ASN 514 Ca 0.10 -0.54 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 2jci h ASN 514 Cb 0.83 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 2jci h ASN 514 CO 0.07 1.05 -0.43 1.88 -1.06 0.00 0.00 177.43 178.95 2jci h TYR 515 N 0.23 0.00 -2.82 1.19 -1.99 -1.46 -3.36 116.97 108.76 2jci h TYR 515 Ca 0.01 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.54 2jci h TYR 515 Cb 0.94 0.00 0.04 0.00 2.00 0.00 0.00 36.73 39.71 2jci h TYR 515 CO 0.09 0.00 -0.32 0.45 -0.00 0.00 0.00 178.16 178.38 2jci n SER 516 N -2.31 -3.98 -4.62 3.88 2.88 0.19 -4.96 113.62 104.70 2jci n SER 516 Ca 0.04 -0.19 -0.30 0.00 -1.33 0.00 0.00 58.87 57.09 2jci n SER 516 Cb 0.46 -2.76 0.19 0.00 -0.75 0.00 0.00 64.21 61.34 2jci n SER 516 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2jci s TRP 517 N -2.96 1.61 -0.20 0.66 0.52 -0.85 -4.99 118.94 112.74 2jci s TRP 517 Ca 0.20 1.53 0.05 0.00 0.02 0.00 0.00 56.10 57.90 2jci s TRP 517 Cb -0.09 -3.23 -0.15 0.00 -1.15 0.00 0.00 33.47 28.85 2jci s TRP 517 CO 0.25 -3.12 -0.13 0.09 0.02 0.00 0.00 176.95 174.06 2jci n ASN 518 N -4.43 2.01 -0.06 2.95 3.02 -1.26 -4.47 115.26 113.02 2jci n ASN 518 Ca 0.08 -0.09 -0.10 0.00 -0.03 0.00 0.00 54.58 54.44 2jci n ASN 518 Cb 0.53 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.64 2jci n ASN 518 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2jci h ILE 519 N 0.00 1.14 -0.95 2.41 2.04 -1.90 -1.74 117.51 118.51 2jci h ILE 519 Ca -0.46 -0.39 0.22 0.00 1.00 0.00 0.00 64.86 65.22 2jci h ILE 519 Cb 1.80 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 38.78 2jci h ILE 519 CO -0.05 0.14 0.62 -0.65 0.00 0.00 0.00 178.15 178.21 2jci h PRO 520 N 0.24 0.43 -0.11 2.37 0.11 -1.81 -1.61 132.00 131.63 2jci h PRO 520 Ca 0.08 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 2jci h PRO 520 Cb 0.11 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2jci h PRO 520 CO -0.01 0.29 -0.23 0.00 -0.21 0.00 0.00 178.00 177.84 2jci h ALA 521 N 1.61 0.18 -0.68 -0.75 0.00 -1.57 -1.95 119.26 116.10 2jci h ALA 521 Ca 0.51 -0.38 0.15 0.00 0.00 0.00 0.00 54.91 55.19 2jci h ALA 521 Cb 1.22 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 2jci h ALA 521 CO -0.22 0.14 -0.02 -0.92 0.00 0.00 0.00 179.25 178.23 2jci h TYR 522 N -0.08 -0.09 -0.31 0.00 3.20 -0.86 -0.61 116.97 118.22 2jci h TYR 522 Ca 0.00 0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 2jci h TYR 522 Cb 0.81 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 2jci h TYR 522 CO 0.11 -0.21 -0.28 -1.49 -1.64 0.00 0.00 178.16 174.64 2jci h TRP 523 N 0.09 0.74 0.01 -3.82 4.06 -1.22 -2.34 115.95 113.48 2jci h TRP 523 Ca 0.36 -0.18 -0.00 0.00 2.06 0.00 0.00 58.89 61.13 2jci h TRP 523 Cb 0.60 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 2jci h TRP 523 CO -0.41 0.86 -0.01 1.15 -3.56 0.00 0.00 178.44 176.47 2jci h THR 524 N 0.55 1.08 -0.45 1.49 2.02 -0.49 0.35 112.91 117.46 2jci h THR 524 Ca 0.07 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.98 2jci h THR 524 Cb 0.77 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 2jci h THR 524 CO 0.06 0.07 0.30 0.22 0.37 0.00 0.00 175.52 176.54 2jci h TYR 525 N -0.13 0.56 -0.42 3.16 3.20 -1.11 -1.76 116.97 120.47 2jci h TYR 525 Ca -0.00 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.94 2jci h TYR 525 Cb 0.13 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 2jci h TYR 525 CO -0.04 0.35 0.12 -0.09 -1.64 0.00 0.00 178.16 176.86 2jci h ARG 526 N 0.60 0.25 -0.95 1.82 2.43 -1.15 0.10 114.38 117.48 2jci h ARG 526 Ca 0.17 -0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.47 2jci h ARG 526 Cb -0.06 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.34 2jci h ARG 526 CO -0.04 0.17 0.57 1.98 -1.51 0.00 0.00 179.97 181.13 2jci h MET 527 N 0.26 0.80 -0.43 0.20 4.05 -0.45 0.22 114.93 119.57 2jci h MET 527 Ca 0.20 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.44 2jci h MET 527 Cb 0.23 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 2jci h MET 527 CO -0.24 0.53 -0.28 -0.07 0.23 0.00 0.00 176.91 177.08 2jci h LEU 528 N 0.82 0.98 -0.44 3.39 3.38 -0.16 -0.84 115.31 122.44 2jci h LEU 528 Ca 0.51 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2jci h LEU 528 Cb 0.65 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2jci h LEU 528 CO -0.32 1.19 0.18 0.03 0.09 0.00 0.00 178.44 179.60 2jci h ARG 529 N 0.80 0.36 0.00 1.13 3.08 -0.33 -1.01 114.38 118.41 2jci h ARG 529 Ca 0.09 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2jci h ARG 529 Cb 0.86 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 2jci h ARG 529 CO 0.08 0.24 -0.04 0.93 -1.07 0.00 0.00 179.97 180.11 2jci h GLU 530 N 0.37 0.00 -0.64 0.04 5.08 -0.42 -0.99 114.58 118.01 2jci h GLU 530 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2jci h GLU 530 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2jci h GLU 530 CO -0.18 0.04 0.00 0.09 -1.00 0.00 0.00 179.01 177.96 2jci n ASN 531 N -4.13 4.48 -3.25 1.42 4.13 -0.37 -4.95 115.26 112.59 2jci n ASN 531 Ca -0.03 -2.48 -0.22 0.00 1.68 0.00 0.00 54.58 53.54 2jci n ASN 531 Cb 0.12 -0.57 -0.00 0.00 -1.54 0.00 0.00 39.78 37.79 2jci n ASN 531 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jci n GLY 532 N 0.97 -0.49 3.76 7.41 0.00 -0.38 -4.94 105.19 111.52 2jci n GLY 532 Ca 0.23 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 2jci n GLY 532 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jci s VAL 533 N -2.89 2.52 -1.37 1.61 1.01 -0.41 -4.89 120.40 115.98 2jci s VAL 533 Ca 0.35 0.48 -0.15 0.00 0.00 0.00 0.00 61.98 62.66 2jci s VAL 533 Cb -0.18 -3.31 0.07 0.00 0.00 0.00 0.00 36.38 32.96 2jci s VAL 533 CO 0.43 0.10 1.98 -0.67 0.00 0.00 0.00 175.10 176.94 2jci n ASP 534 N 1.49 4.43 -0.22 3.32 2.03 -1.26 -4.74 116.55 121.60 2jci n ASP 534 Ca 0.04 -2.90 -0.09 0.00 0.52 0.00 0.00 54.79 52.36 2jci n ASP 534 Cb 0.40 -1.66 0.03 0.00 -0.72 0.00 0.00 41.12 39.17 2jci n ASP 534 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2jci h VAL 535 N 4.53 1.27 -0.98 5.18 2.07 -1.95 -2.29 116.25 124.07 2jci h VAL 535 Ca 0.50 -1.13 0.13 0.00 0.82 0.00 0.00 66.70 67.02 2jci h VAL 535 Cb 0.73 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 2jci h VAL 535 CO 1.68 0.41 0.62 0.50 0.02 0.00 0.00 177.57 180.80 2jci h LYS 536 N 1.01 0.88 -0.32 1.57 3.64 -1.99 -0.28 116.57 121.07 2jci h LYS 536 Ca 0.18 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2jci h LYS 536 Cb 0.53 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2jci h LYS 536 CO 0.03 0.58 0.17 0.78 -2.27 0.00 0.00 179.45 178.73 2jci h GLY 537 N 0.90 0.49 1.00 5.01 0.00 -1.81 0.49 103.07 109.15 2jci h GLY 537 Ca 0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 2jci h GLY 537 CO -0.26 0.22 -0.20 -0.97 0.00 0.00 0.00 176.54 175.34 2jci h TYR 538 N 0.39 -0.52 -0.99 5.60 0.05 -1.08 -2.35 116.97 118.07 2jci h TYR 538 Ca 0.11 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.93 2jci h TYR 538 Cb 0.09 0.17 -0.06 0.00 1.01 0.00 0.00 36.73 37.94 2jci h TYR 538 CO -0.02 -0.31 0.65 0.52 -1.05 0.00 0.00 178.16 177.94 2jci h MET 539 N -0.57 1.17 -0.06 4.88 2.86 -0.94 -2.85 114.93 119.44 2jci h MET 539 Ca -0.06 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 2jci h MET 539 Cb 0.43 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2jci h MET 539 CO 0.09 0.78 -0.45 0.93 1.06 0.00 0.00 176.91 179.32 2jci h GLU 540 N 1.21 0.13 0.00 1.72 5.08 0.06 -1.86 114.58 120.92 2jci h GLU 540 Ca 0.41 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2jci h GLU 540 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2jci h GLU 540 CO -0.15 0.56 0.00 0.87 -1.00 0.00 0.00 179.01 179.29 2jci h LYS 541 N 0.11 0.00 -0.18 2.33 1.57 -1.17 -0.20 116.57 119.02 2jci h LYS 541 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jci h LYS 541 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2jci h LYS 541 CO 0.06 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.61 2jci n MET 542 N -2.92 2.14 -1.00 3.15 2.81 -0.77 -4.95 117.12 115.59 2jci n MET 542 Ca -0.01 -1.70 0.00 0.00 -1.81 0.00 0.00 57.70 54.18 2jci n MET 542 Cb 0.19 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 2jci n MET 542 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jci n GLY 543 N 1.32 0.50 3.75 3.03 0.00 -0.09 -4.75 105.19 108.95 2jci n GLY 543 Ca 0.17 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 2jci n GLY 543 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jci s TYR 544 N -2.00 3.77 -0.46 1.61 1.51 -0.78 -5.02 117.35 115.97 2jci s TYR 544 Ca 0.00 1.54 -0.09 0.00 -1.01 0.00 0.00 57.07 57.51 2jci s TYR 544 Cb 0.00 -2.84 0.11 0.00 -0.11 0.00 0.00 41.96 39.12 2jci s TYR 544 CO 0.00 0.30 0.33 -1.21 -1.11 0.00 0.00 175.55 173.86 2jci s GLU 545 N -0.19 2.48 -0.27 -0.62 2.02 -1.26 -4.29 118.70 116.57 2jci s GLU 545 Ca 0.39 -1.73 0.03 0.00 0.02 0.00 0.00 54.97 53.68 2jci s GLU 545 Cb -0.21 -3.90 0.06 0.00 0.10 0.00 0.00 34.13 30.18 2jci s GLU 545 CO 0.24 -1.16 -0.09 0.42 0.02 0.00 0.00 175.26 174.69 2jci s ILE 546 N 1.36 2.23 0.45 -1.63 1.01 -1.26 -4.83 121.20 118.53 2jci s ILE 546 Ca 0.05 -1.67 0.25 0.00 0.00 0.00 0.00 60.65 59.29 2jci s ILE 546 Cb -0.26 -2.33 0.28 0.00 0.01 0.00 0.00 42.46 40.16 2jci s ILE 546 CO -0.00 -0.07 2.08 1.55 0.00 0.00 0.00 174.94 178.50 2jci h PRO 547 N 7.78 0.00 -2.57 2.79 0.13 -1.97 -3.42 132.00 134.73 2jci h PRO 547 Ca -0.18 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.84 2jci h PRO 547 Cb 1.04 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.89 2jci h PRO 547 CO 0.47 0.12 -0.38 -2.00 -0.23 0.00 0.00 178.00 175.98 2jci s GLU 548 N -4.35 0.31 0.00 0.86 2.56 -1.26 -5.01 118.70 111.81 2jci s GLU 548 Ca -0.03 0.97 0.24 0.00 0.00 0.00 0.00 54.97 56.15 2jci s GLU 548 Cb 0.14 0.24 0.30 0.00 2.00 0.00 0.00 34.13 36.82 2jci s GLU 548 CO 0.61 -0.24 1.28 0.66 -0.56 0.00 0.00 175.26 177.00 2jci n TYR 549 N 5.22 0.00 -2.16 5.30 4.02 -1.26 -4.59 117.16 123.69 2jci n TYR 549 Ca -0.10 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.38 2jci n TYR 549 Cb 0.50 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 2jci n TYR 549 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jci n GLY 550 N 1.41 5.36 2.81 2.72 0.00 -1.26 -4.89 105.19 111.34 2jci n GLY 550 Ca 0.09 -2.17 -0.22 0.00 0.00 0.00 0.00 46.02 43.73 2jci n GLY 550 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jci s ILE 551 N -1.67 0.42 0.48 -0.61 1.01 -1.26 -5.04 121.20 114.53 2jci s ILE 551 Ca 0.50 0.04 0.24 0.00 0.00 0.00 0.00 60.65 61.43 2jci s ILE 551 Cb 0.18 -0.53 0.28 0.00 0.01 0.00 0.00 42.46 42.40 2jci s ILE 551 CO -0.09 0.24 2.11 -0.33 0.00 0.00 0.00 174.94 176.88 2jci h GLU 552 N 7.90 0.00 -0.49 2.79 5.08 -1.96 -1.80 114.58 126.09 2jci h GLU 552 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2jci h GLU 552 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2jci h GLU 552 CO 0.34 0.09 0.00 -1.13 -1.00 0.00 0.00 179.01 177.31 2jci n SER 553 N -3.93 4.77 -0.07 1.42 3.41 -1.26 -4.57 113.62 113.40 2jci n SER 553 Ca -0.02 -2.76 -0.07 0.00 -0.26 0.00 0.00 58.87 55.76 2jci n SER 553 Cb 0.18 -0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 63.53 2jci n SER 553 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2jci h LEU 554 N 3.29 -0.28 -0.08 1.04 5.85 -1.45 0.59 115.31 124.27 2jci h LEU 554 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2jci h LEU 554 Cb 1.60 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.81 2jci h LEU 554 CO 0.31 -0.10 0.00 -0.81 -0.34 0.00 0.00 178.44 177.50 2jci n PRO 555 N -5.25 0.03 -0.01 5.25 -0.04 -1.26 0.78 135.00 134.51 2jci n PRO 555 Ca -0.01 0.22 0.14 0.00 -0.04 0.00 0.00 63.50 63.81 2jci n PRO 555 Cb 0.17 -1.55 0.73 0.00 -0.04 0.00 0.00 33.50 32.80 2jci n PRO 555 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jci n MET 556 N -1.61 1.27 -0.18 0.54 2.81 -0.65 -3.35 117.12 115.94 2jci n MET 556 Ca 0.04 -0.39 0.00 0.00 -1.81 0.00 0.00 57.70 55.54 2jci n MET 556 Cb 0.22 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 2jci n MET 556 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jci n GLY 557 N 1.04 0.86 3.75 3.03 0.00 0.23 -3.60 105.19 110.52 2jci n GLY 557 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2jci n GLY 557 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jci s GLY 558 N -1.88 3.08 -0.44 -0.02 0.00 0.11 -3.02 107.32 105.14 2jci s GLY 558 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.33 2jci s GLY 558 CO 0.00 1.17 0.00 0.61 0.00 0.00 0.00 173.10 174.88 2jci n GLY 559 N 1.36 0.69 3.11 0.20 0.00 -1.26 -3.96 105.19 105.33 2jci n GLY 559 Ca -0.01 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 2jci n GLY 559 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jci s ILE 560 N -2.03 1.35 -0.02 -0.61 1.01 -1.17 -4.69 121.20 115.05 2jci s ILE 560 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.01 2jci s ILE 560 Cb 0.00 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2jci s ILE 560 CO 0.00 0.39 -0.09 -1.61 0.00 0.00 0.00 174.94 173.63 2jci s GLU 561 N 0.15 0.91 0.03 2.79 2.02 -1.26 -3.34 118.70 119.99 2jci s GLU 561 Ca -0.06 -0.31 -0.00 0.00 0.02 0.00 0.00 54.97 54.62 2jci s GLU 561 Cb -0.12 -0.86 -0.03 0.00 0.10 0.00 0.00 34.13 33.22 2jci s GLU 561 CO 0.02 0.14 -0.03 0.14 0.02 0.00 0.00 175.26 175.55 2jci s VAL 562 N 0.09 0.17 0.70 2.63 -7.23 -0.29 -4.71 120.40 111.76 2jci s VAL 562 Ca -0.01 -1.24 -0.11 0.00 -1.81 0.00 0.00 61.98 58.80 2jci s VAL 562 Cb -0.07 -0.72 0.01 0.00 0.56 0.00 0.00 36.38 36.15 2jci s VAL 562 CO 0.00 -0.68 1.07 0.42 -0.31 0.00 0.00 175.10 175.60 2jci s THR 563 N -2.34 3.93 0.18 5.32 -4.23 -1.25 -2.06 115.64 115.19 2jci s THR 563 Ca -0.08 0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 60.94 2jci s THR 563 Cb -0.04 -3.49 0.08 0.00 1.34 0.00 0.00 72.50 70.40 2jci s THR 563 CO -0.04 -0.82 1.79 0.58 -0.54 0.00 0.00 174.62 175.59 2jci h VAL 564 N -0.66 1.20 -0.53 2.29 2.07 -1.75 -1.99 116.25 116.88 2jci h VAL 564 Ca -0.45 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 66.58 2jci h VAL 564 Cb 1.22 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2jci h VAL 564 CO 0.60 0.21 0.34 0.00 0.02 0.00 0.00 177.57 178.75 2jci h ALA 565 N 1.15 0.67 -0.05 1.67 0.00 -1.69 -1.10 119.26 119.91 2jci h ALA 565 Ca 0.21 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2jci h ALA 565 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jci h ALA 565 CO -0.03 0.09 -0.53 0.37 0.00 0.00 0.00 179.25 179.15 2jci h GLN 566 N 0.69 0.13 0.07 0.00 5.75 -1.82 -2.88 115.11 117.05 2jci h GLN 566 Ca 0.20 -0.08 -0.26 0.00 -0.15 0.00 0.00 58.65 58.36 2jci h GLN 566 Cb -0.06 0.01 0.01 0.00 1.07 0.00 0.00 27.48 28.51 2jci h GLN 566 CO -0.05 0.63 -1.12 1.25 -2.65 0.00 0.00 178.83 176.89 2jci h HIS 567 N 0.10 0.69 -0.87 3.99 2.76 -0.97 -2.50 115.15 118.36 2jci h HIS 567 Ca 0.00 -0.43 0.19 0.00 -2.20 0.00 0.00 60.37 57.93 2jci h HIS 567 Cb 0.97 -0.06 -0.11 0.00 1.55 0.00 0.00 27.41 29.76 2jci h HIS 567 CO 0.01 1.28 0.40 1.15 -1.30 0.00 0.00 177.93 179.47 2jci h THR 568 N 0.20 0.58 -0.81 6.26 2.02 -1.21 -1.01 112.91 118.94 2jci h THR 568 Ca -0.13 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2jci h THR 568 Cb 1.79 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 2jci h THR 568 CO 0.20 0.09 0.47 -1.13 0.37 0.00 0.00 175.52 175.51 2jci h ASN 569 N 0.48 0.99 -0.34 4.18 -0.73 -1.22 0.41 115.58 119.35 2jci h ASN 569 Ca 0.51 -0.07 -0.11 0.00 1.87 0.00 0.00 56.30 58.50 2jci h ASN 569 Cb 0.88 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 39.20 2jci h ASN 569 CO -0.46 0.78 -0.20 1.23 -0.37 0.00 0.00 177.43 178.41 2jci h GLY 570 N 1.15 0.89 1.95 1.57 0.00 -1.05 -2.18 103.07 105.41 2jci h GLY 570 Ca 0.29 -0.75 -0.16 0.00 0.00 0.00 0.00 47.33 46.71 2jci h GLY 570 CO -0.05 0.68 -0.75 -0.97 0.00 0.00 0.00 176.54 175.45 2jci h TYR 571 N 0.72 0.06 -0.90 5.60 -1.99 -0.88 -2.67 116.97 116.91 2jci h TYR 571 Ca 0.10 -0.03 0.18 0.00 2.00 0.00 0.00 58.73 60.98 2jci h TYR 571 Cb 0.72 -0.01 -0.11 0.00 2.00 0.00 0.00 36.73 39.33 2jci h TYR 571 CO 0.04 0.77 0.46 0.37 -0.00 0.00 0.00 178.16 179.80 2jci h GLN 572 N 0.03 0.55 -0.19 4.88 -0.00 0.04 0.41 115.11 120.84 2jci h GLN 572 Ca -0.01 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.56 2jci h GLN 572 Cb 1.32 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 28.67 2jci h GLN 572 CO 0.10 0.37 -0.04 1.15 0.00 0.00 0.00 178.83 180.41 2jci h THR 573 N 0.57 1.28 -0.90 2.39 2.02 -1.07 0.74 112.91 117.94 2jci h THR 573 Ca 0.52 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2jci h THR 573 Cb 0.86 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.78 2jci h THR 573 CO -0.43 0.30 0.58 -0.07 0.37 0.00 0.00 175.52 176.28 2jci h LEU 574 N 0.08 1.05 -0.73 2.58 3.38 -1.20 0.35 115.31 120.82 2jci h LEU 574 Ca 0.05 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2jci h LEU 574 Cb 0.48 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2jci h LEU 574 CO 0.02 0.78 -0.57 0.00 0.09 0.00 0.00 178.44 178.75 2jci h ALA 575 N 1.41 0.93 -0.40 1.53 0.00 -0.35 -2.99 119.26 119.38 2jci h ALA 575 Ca 0.33 -0.52 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 2jci h ALA 575 Cb -0.11 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.47 2jci h ALA 575 CO -0.07 0.71 0.30 -1.71 0.00 0.00 0.00 179.25 178.48 2jci n ASN 576 N -3.89 4.34 -2.42 0.00 5.15 0.20 -4.80 115.26 113.85 2jci n ASN 576 Ca -0.02 -2.76 -0.21 0.00 -0.60 0.00 0.00 54.58 51.00 2jci n ASN 576 Cb 0.59 -0.79 -0.00 0.00 -0.53 0.00 0.00 39.78 39.05 2jci n ASN 576 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2jci n ASN 577 N 0.08 -5.86 0.00 1.20 5.03 -1.13 -2.95 115.26 111.63 2jci n ASN 577 Ca 0.24 -0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.64 2jci n ASN 577 Cb 0.83 -4.84 0.00 0.00 -1.02 0.00 0.00 39.78 34.75 2jci n ASN 577 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jci n GLY 578 N -1.09 0.52 3.33 7.41 0.00 0.10 -4.02 105.19 111.44 2jci n GLY 578 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2jci n GLY 578 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jci s VAL 579 N -2.07 3.91 0.32 1.61 1.01 -1.15 -0.71 120.40 123.33 2jci s VAL 579 Ca 0.00 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 2jci s VAL 579 Cb 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 2jci s VAL 579 CO 0.00 0.05 1.01 -0.47 0.00 0.00 0.00 175.10 175.70 2jci s TYR 580 N 1.48 3.58 0.01 5.22 5.04 -0.32 -4.65 117.35 127.72 2jci s TYR 580 Ca 0.02 1.74 0.04 0.00 -2.44 0.00 0.00 57.07 56.43 2jci s TYR 580 Cb -0.17 -3.08 -0.01 0.00 0.35 0.00 0.00 41.96 39.04 2jci s TYR 580 CO 0.02 -0.19 -0.13 -1.01 -1.34 0.00 0.00 175.55 172.90 2jci s HIS 581 N -1.45 1.15 -0.05 4.97 3.76 -1.26 -2.21 115.29 120.20 2jci s HIS 581 Ca 0.50 -0.27 -0.24 0.00 -0.15 0.00 0.00 55.06 54.90 2jci s HIS 581 Cb -0.24 -0.71 -0.04 0.00 1.11 0.00 0.00 32.58 32.70 2jci s HIS 581 CO 0.30 -0.00 0.73 -1.14 -0.85 0.00 0.00 174.74 173.79 2jci s GLN 582 N -0.63 4.45 0.72 1.40 0.74 -1.26 -4.54 119.66 120.54 2jci s GLN 582 Ca 0.03 0.95 -0.16 0.00 0.05 0.00 0.00 55.36 56.23 2jci s GLN 582 Cb -0.06 -3.44 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 2jci s GLN 582 CO 0.00 0.08 0.59 0.36 -0.55 0.00 0.00 175.29 175.77 2jci n LYS 583 N 3.69 0.33 -3.64 1.67 2.85 -1.25 -4.66 118.16 117.14 2jci n LYS 583 Ca -0.01 0.15 -0.03 0.00 -1.05 0.00 0.00 58.31 57.37 2jci n LYS 583 Cb 0.51 -1.88 -0.06 0.00 -0.65 0.00 0.00 35.03 32.95 2jci n LYS 583 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 2jci s HIS 584 N -1.90 -0.09 -0.75 5.58 -3.43 -1.02 -4.97 115.29 108.70 2jci s HIS 584 Ca 0.67 0.19 0.16 0.00 -0.80 0.00 0.00 55.06 55.28 2jci s HIS 584 Cb -0.35 0.48 -0.18 0.00 -1.43 0.00 0.00 32.58 31.10 2jci s HIS 584 CO 0.57 -0.06 0.69 1.33 -2.00 0.00 0.00 174.74 175.27 2jci n VAL 585 N 1.17 0.00 -3.70 -5.38 0.24 -1.26 -2.37 118.33 107.03 2jci n VAL 585 Ca -0.07 -0.12 -0.36 0.00 -2.04 0.00 0.00 64.34 61.75 2jci n VAL 585 Cb 0.58 0.97 -0.10 0.00 -1.47 0.00 0.00 33.84 33.82 2jci n VAL 585 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2jci s ILE 586 N -2.58 5.21 -0.23 1.34 -1.09 -1.26 -0.70 121.20 121.90 2jci s ILE 586 Ca 0.06 0.13 0.10 0.00 -2.23 0.00 0.00 60.65 58.70 2jci s ILE 586 Cb 0.12 -3.43 -0.21 0.00 -1.58 0.00 0.00 42.46 37.37 2jci s ILE 586 CO 0.68 0.35 -0.07 -1.54 -1.23 0.00 0.00 174.94 173.13 2jci n SER 587 N 4.32 1.00 -3.66 3.58 3.41 -0.65 -4.57 113.62 117.04 2jci n SER 587 Ca -0.15 -0.06 -0.13 0.00 -0.26 0.00 0.00 58.87 58.26 2jci n SER 587 Cb 0.52 0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 64.67 2jci n SER 587 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2jci s LYS 588 N -2.51 0.72 -0.08 4.33 2.20 -1.14 0.12 119.74 123.38 2jci s LYS 588 Ca -0.22 0.88 0.05 0.00 -0.36 0.00 0.00 55.97 56.31 2jci s LYS 588 Cb 0.07 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.73 2jci s LYS 588 CO 0.72 -0.09 -0.24 0.42 -0.36 0.00 0.00 175.35 175.80 2jci s ILE 589 N 0.39 2.13 -0.05 5.43 1.01 0.11 -0.77 121.20 129.44 2jci s ILE 589 Ca -0.00 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.65 2jci s ILE 589 Cb -0.04 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.64 2jci s ILE 589 CO -0.00 0.56 -0.10 -1.61 0.00 0.00 0.00 174.94 173.79 2jci s GLU 590 N 0.10 1.41 0.64 2.79 2.02 0.04 -1.49 118.70 124.21 2jci s GLU 590 Ca -0.11 -0.34 -0.15 0.00 0.02 0.00 0.00 54.97 54.39 2jci s GLU 590 Cb -0.16 -1.21 -0.01 0.00 0.10 0.00 0.00 34.13 32.85 2jci s GLU 590 CO 0.06 0.02 1.10 0.00 0.02 0.00 0.00 175.26 176.46 2jci s ALA 591 N 0.63 2.55 0.14 5.21 0.00 0.95 -0.55 121.76 130.69 2jci s ALA 591 Ca -0.12 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.39 2jci s ALA 591 Cb -0.14 -3.29 0.43 0.00 0.00 0.00 0.00 23.12 20.11 2jci s ALA 591 CO 0.02 -1.14 0.63 0.00 0.00 0.00 0.00 175.76 175.27 2jci n ALA 592 N -2.30 0.31 -1.01 0.00 0.00 -0.88 0.87 120.51 117.50 2jci n ALA 592 Ca 0.10 0.42 0.04 0.00 0.00 0.00 0.00 53.44 54.00 2jci n ALA 592 Cb 0.52 -0.36 0.32 0.00 0.00 0.00 0.00 19.45 19.93 2jci n ALA 592 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jci n ASP 593 N -4.13 4.67 0.00 0.00 5.68 -1.26 -4.96 116.55 116.54 2jci n ASP 593 Ca 0.12 -3.09 0.00 0.00 -0.50 0.00 0.00 54.79 51.33 2jci n ASP 593 Cb 0.42 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 2jci n ASP 593 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jci n GLY 594 N -0.08 0.61 3.85 6.12 0.00 0.25 -5.03 105.19 110.91 2jci n GLY 594 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 2jci n GLY 594 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jci s ARG 595 N -0.18 3.93 -0.43 1.61 1.04 -1.26 -4.78 118.95 118.88 2jci s ARG 595 Ca 0.00 0.79 -0.24 0.00 -1.04 0.00 0.00 55.73 55.25 2jci s ARG 595 Cb 0.00 -2.25 0.02 0.00 -2.04 0.00 0.00 34.95 30.68 2jci s ARG 595 CO 0.00 -0.13 0.82 0.08 -0.04 0.00 0.00 175.30 176.03 2jci s VAL 596 N -2.43 4.62 0.05 4.99 1.01 -1.26 -0.03 120.40 127.35 2jci s VAL 596 Ca 0.56 0.61 -0.16 0.00 0.00 0.00 0.00 61.98 62.99 2jci s VAL 596 Cb -0.10 -4.32 -0.22 0.00 0.00 0.00 0.00 36.38 31.74 2jci s VAL 596 CO 0.28 -0.68 1.17 -0.37 0.00 0.00 0.00 175.10 175.50 2jci h VAL 597 N 5.95 1.34 -3.38 2.92 -1.51 -1.63 -3.47 116.25 116.48 2jci h VAL 597 Ca -0.25 -2.11 -0.20 0.00 -1.23 0.00 0.00 66.70 62.92 2jci h VAL 597 Cb 1.08 2.39 -0.27 0.00 -2.13 0.00 0.00 31.29 32.37 2jci h VAL 597 CO 0.97 0.64 -0.56 -0.47 -1.23 0.00 0.00 177.57 176.91 2jci s TYR 598 N -3.37 -0.15 -0.08 5.19 6.14 -1.13 -4.96 117.35 119.00 2jci s TYR 598 Ca -0.11 0.38 -0.08 0.00 0.64 0.00 0.00 57.07 57.91 2jci s TYR 598 Cb 0.06 0.04 0.02 0.00 0.42 0.00 0.00 41.96 42.50 2jci s TYR 598 CO 0.87 -0.08 0.21 -2.00 0.64 0.00 0.00 175.55 175.19 2jci s GLU 599 N 0.19 0.27 0.10 4.97 2.12 -1.26 0.04 118.70 125.12 2jci s GLU 599 Ca -0.01 0.26 -0.33 0.00 0.36 0.00 0.00 54.97 55.25 2jci s GLU 599 Cb -0.02 0.13 -0.12 0.00 0.26 0.00 0.00 34.13 34.38 2jci s GLU 599 CO -0.00 -0.04 1.74 0.98 -0.54 0.00 0.00 175.26 177.40 2jci n TYR 600 N 2.87 2.44 -3.97 5.30 9.36 0.33 -4.97 117.16 128.52 2jci n TYR 600 Ca -0.13 0.05 -0.33 0.00 3.32 0.00 0.00 57.90 60.81 2jci n TYR 600 Cb 0.58 -2.64 -0.14 0.00 -0.63 0.00 0.00 39.34 36.51 2jci n TYR 600 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 2jci s GLN 601 N 2.24 2.11 -0.21 2.98 2.00 -1.26 -5.05 119.66 122.48 2jci s GLN 601 Ca 0.83 -1.49 -0.36 0.00 -2.00 0.00 0.00 55.36 52.33 2jci s GLN 601 Cb -0.60 -3.13 -0.13 0.00 0.80 0.00 0.00 33.01 29.94 2jci s GLN 601 CO 0.40 -0.72 1.89 -3.47 -0.50 0.00 0.00 175.29 172.89 2jci n ASP 602 N 4.47 2.84 -3.54 6.67 2.03 -1.26 -4.94 116.55 122.82 2jci n ASP 602 Ca -0.09 0.90 -0.27 0.00 0.52 0.00 0.00 54.79 55.86 2jci n ASP 602 Cb 0.42 -1.27 -0.10 0.00 -0.72 0.00 0.00 41.12 39.45 2jci n ASP 602 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2jci n LYS 603 N 6.51 0.83 -2.12 -0.67 4.81 -1.26 -5.11 118.16 121.14 2jci n LYS 603 Ca 0.27 -3.65 -0.42 0.00 -0.87 0.00 0.00 58.31 53.65 2jci n LYS 603 Cb 0.22 -1.86 -0.03 0.00 0.02 0.00 0.00 35.03 33.38 2jci n LYS 603 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2jci s PRO 604 N -0.59 4.32 -0.08 1.64 0.04 -1.26 -4.80 135.00 134.26 2jci s PRO 604 Ca 0.31 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.53 2jci s PRO 604 Cb 0.03 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.38 2jci s PRO 604 CO -0.18 -0.39 -0.18 0.14 0.04 0.00 0.00 177.00 176.43 2jci s VAL 605 N 0.55 1.58 -0.64 -0.36 -7.23 -0.94 -4.93 120.40 108.42 2jci s VAL 605 Ca 0.62 -0.73 -0.27 0.00 -1.81 0.00 0.00 61.98 59.78 2jci s VAL 605 Cb -0.39 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.16 2jci s VAL 605 CO 0.36 0.45 1.61 -1.58 -0.31 0.00 0.00 175.10 175.63 2jci s GLN 606 N 0.52 2.91 -0.11 4.82 2.00 -1.26 -1.18 119.66 127.36 2jci s GLN 606 Ca -0.16 0.32 -0.10 0.00 -2.00 0.00 0.00 55.36 53.41 2jci s GLN 606 Cb -0.17 -4.28 -0.27 0.00 0.80 0.00 0.00 33.01 29.09 2jci s GLN 606 CO 0.06 -2.43 0.44 0.28 -0.50 0.00 0.00 175.29 173.14 2jci h VAL 607 N 6.54 0.78 -3.90 1.34 2.07 -1.30 -3.47 116.25 118.30 2jci h VAL 607 Ca -0.27 -2.37 -0.68 0.00 0.82 0.00 0.00 66.70 64.20 2jci h VAL 607 Cb 1.12 2.56 -0.21 0.00 -1.52 0.00 0.00 31.29 33.24 2jci h VAL 607 CO 1.23 0.81 -0.83 -0.31 0.02 0.00 0.00 177.57 178.49 2jci s TYR 608 N -2.53 2.45 0.78 1.57 1.51 -0.96 -4.99 117.35 115.18 2jci s TYR 608 Ca -0.21 -0.31 -0.14 0.00 -1.01 0.00 0.00 57.07 55.39 2jci s TYR 608 Cb 0.06 -1.35 0.07 0.00 -0.11 0.00 0.00 41.96 40.62 2jci s TYR 608 CO 0.77 0.31 1.21 -1.54 -1.11 0.00 0.00 175.55 175.19 2jci s SER 609 N -1.85 3.82 0.48 2.29 1.04 -1.26 -4.51 113.70 113.71 2jci s SER 609 Ca 0.15 2.37 0.15 0.00 0.48 0.00 0.00 55.95 59.10 2jci s SER 609 Cb -0.10 -2.59 1.14 0.00 0.10 0.00 0.00 66.02 64.57 2jci s SER 609 CO 0.07 -2.51 2.06 0.11 0.98 0.00 0.00 173.24 173.95 2jci h LYS 610 N -0.66 0.22 0.02 4.02 1.57 -1.94 -1.22 116.57 118.57 2jci h LYS 610 Ca -0.47 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2jci h LYS 610 Cb 1.30 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2jci h LYS 610 CO 0.48 0.14 -0.01 0.00 -0.57 0.00 0.00 179.45 179.49 2jci h ALA 611 N 1.83 -0.02 -0.19 3.86 0.00 -1.89 -1.83 119.26 121.01 2jci h ALA 611 Ca 0.14 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2jci h ALA 611 Cb 0.28 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 2jci h ALA 611 CO -0.03 -0.37 -0.44 1.15 0.00 0.00 0.00 179.25 179.56 2jci h THR 612 N -0.31 0.11 -0.48 0.00 2.02 -1.79 -0.08 112.91 112.39 2jci h THR 612 Ca -0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2jci h THR 612 Cb 0.30 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2jci h THR 612 CO 0.00 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 175.76 2jci h ALA 613 N 0.11 0.66 0.00 6.16 0.00 -1.23 0.77 119.26 125.73 2jci h ALA 613 Ca 0.08 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2jci h ALA 613 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2jci h ALA 613 CO -0.44 0.58 -0.38 1.79 0.00 0.00 0.00 179.25 180.80 2jci h THR 614 N 0.79 1.17 -0.44 0.00 1.35 -1.20 0.23 112.91 114.81 2jci h THR 614 Ca 0.12 -1.33 -0.10 0.00 -0.55 0.00 0.00 66.41 64.55 2jci h THR 614 Cb 0.69 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 2jci h THR 614 CO 0.05 0.37 -0.12 0.40 -0.25 0.00 0.00 175.52 175.97 2jci h ILE 615 N 0.00 1.27 -0.66 6.82 2.04 -0.49 -2.74 117.51 123.75 2jci h ILE 615 Ca -0.00 -1.23 0.03 0.00 1.00 0.00 0.00 64.86 64.65 2jci h ILE 615 Cb 0.71 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 2jci h ILE 615 CO 0.05 0.42 0.41 -0.03 0.00 0.00 0.00 178.15 179.00 2jci h MET 616 N 0.68 0.79 -0.69 2.37 4.05 -0.07 -2.24 114.93 119.83 2jci h MET 616 Ca 0.11 -0.05 0.12 0.00 -0.28 0.00 0.00 59.70 59.60 2jci h MET 616 Cb 0.66 -0.18 -0.08 0.00 -0.80 0.00 0.00 31.60 31.19 2jci h MET 616 CO 0.05 0.52 0.27 1.96 0.23 0.00 0.00 176.91 179.94 2jci h GLN 617 N 0.82 0.42 -0.27 0.39 4.20 -0.90 0.24 115.11 120.00 2jci h GLN 617 Ca 0.26 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.85 2jci h GLN 617 Cb 0.00 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2jci h GLN 617 CO -0.10 0.28 -0.22 0.78 -0.67 0.00 0.00 178.83 178.90 2jci h GLY 618 N 0.43 0.55 0.78 3.46 0.00 -1.11 -0.49 103.07 106.69 2jci h GLY 618 Ca 0.36 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 2jci h GLY 618 CO -0.36 0.40 -0.12 1.41 0.00 0.00 0.00 176.54 177.87 2jci h LEU 619 N 0.45 0.41 -0.42 3.11 3.38 -0.77 -3.11 115.31 118.36 2jci h LEU 619 Ca 0.07 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2jci h LEU 619 Cb 0.64 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2jci h LEU 619 CO 0.05 0.76 0.00 0.18 0.09 0.00 0.00 178.44 179.52 2jci n LEU 620 N -4.56 0.47 -0.03 1.67 4.77 0.74 -1.44 117.00 118.61 2jci n LEU 620 Ca -0.05 0.61 -0.06 0.00 -0.03 0.00 0.00 56.01 56.47 2jci n LEU 620 Cb 0.34 -0.53 0.14 0.00 -2.33 0.00 0.00 43.42 41.04 2jci n LEU 620 CO 0.39 -0.42 0.71 -0.09 -1.33 0.00 0.00 177.39 176.65 2jci h ARG 621 N 0.00 0.62 0.00 3.23 2.43 -1.02 -2.81 114.38 116.84 2jci h ARG 621 Ca 0.00 -0.25 -0.16 0.00 -0.81 0.00 0.00 59.98 58.77 2jci h ARG 621 Cb 0.37 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2jci h ARG 621 CO 0.00 0.82 -1.00 0.93 -1.51 0.00 0.00 179.97 179.20 2jci h GLU 622 N 0.54 0.00 -0.55 0.20 4.39 -1.30 -2.70 114.58 115.16 2jci h GLU 622 Ca 0.08 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.88 2jci h GLU 622 Cb 0.72 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.28 2jci h GLU 622 CO 0.06 0.49 -0.01 0.28 -1.16 0.00 0.00 179.01 178.66 2jci h VAL 623 N 0.00 0.55 -0.02 3.13 2.07 -1.52 1.01 116.25 121.48 2jci h VAL 623 Ca -0.08 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2jci h VAL 623 Cb 1.56 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2jci h VAL 623 CO 0.07 0.02 -0.06 -0.07 0.02 0.00 0.00 177.57 177.54 2jci h LEU 624 N 0.11 0.09 -0.52 2.57 3.38 -1.60 -3.21 115.31 116.13 2jci h LEU 624 Ca 0.28 -0.63 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 2jci h LEU 624 Cb 0.43 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2jci h LEU 624 CO -0.47 0.70 -0.25 0.77 0.09 0.00 0.00 178.44 179.29 2jci h SER 625 N -0.52 0.00 0.60 -0.43 4.64 -1.38 -0.60 113.55 115.86 2jci h SER 625 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2jci h SER 625 Cb 0.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2jci h SER 625 CO 0.01 0.25 -0.04 0.77 -0.87 0.00 0.00 176.83 176.95 2jci h SER 626 N 0.00 0.00 -1.63 4.97 4.64 0.95 -3.47 113.55 119.01 2jci h SER 626 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 2jci h SER 626 Cb 1.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.97 2jci h SER 626 CO 0.03 0.04 -0.36 0.54 -0.87 0.00 0.00 176.83 176.22 2jci n ARG 627 N -3.22 -1.50 -0.02 4.77 1.74 -0.23 -4.87 116.66 113.32 2jci n ARG 627 Ca -0.01 1.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.94 2jci n ARG 627 Cb 0.24 -5.40 -0.09 0.00 -1.02 0.00 0.00 32.46 26.18 2jci n ARG 627 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2jci h VAL 628 N 0.00 1.38 -0.01 1.55 2.07 -1.80 -3.35 116.25 116.08 2jci h VAL 628 Ca -0.37 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 65.98 2jci h VAL 628 Cb 1.19 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2jci h VAL 628 CO 0.52 0.31 -0.37 0.35 0.02 0.00 0.00 177.57 178.40 2jci n THR 629 N -4.80 0.00 -3.82 2.57 -2.24 -1.26 -4.95 114.28 99.78 2jci n THR 629 Ca -0.08 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 2jci n THR 629 Cb 0.27 1.22 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 2jci n THR 629 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jci s THR 630 N -2.08 0.03 -1.74 4.28 -1.32 -1.26 -4.08 115.64 109.48 2jci s THR 630 Ca 0.15 -0.26 0.19 0.00 -1.21 0.00 0.00 61.69 60.56 2jci s THR 630 Cb 0.15 -0.38 0.60 0.00 -1.51 0.00 0.00 72.50 71.36 2jci s THR 630 CO 0.46 -0.14 1.50 0.35 -2.21 0.00 0.00 174.62 174.57 2jci n THR 631 N 2.32 1.12 -0.17 5.08 -2.24 -0.91 -4.34 114.28 115.15 2jci n THR 631 Ca -0.17 -0.93 -0.02 0.00 -2.27 0.00 0.00 64.05 60.66 2jci n THR 631 Cb 0.57 0.32 0.07 0.00 -2.10 0.00 0.00 70.33 69.19 2jci n THR 631 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2jci h PHE 632 N 3.78 -0.04 -0.38 4.78 3.04 -1.83 -0.87 116.94 125.42 2jci h PHE 632 Ca 0.00 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 2jci h PHE 632 Cb 1.02 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.61 2jci h PHE 632 CO 0.52 -0.13 0.01 0.87 -2.02 0.00 0.00 178.31 177.57 2jci h LYS 633 N 0.11 0.59 -0.15 1.11 1.79 -1.82 0.11 116.57 118.32 2jci h LYS 633 Ca 0.26 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2jci h LYS 633 Cb 0.40 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2jci h LYS 633 CO -0.44 0.61 0.06 0.77 -1.08 0.00 0.00 179.45 179.36 2jci h SER 634 N 0.57 0.20 -0.19 0.86 0.02 -1.54 -1.30 113.55 112.17 2jci h SER 634 Ca 0.12 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2jci h SER 634 Cb 0.34 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2jci h SER 634 CO 0.01 0.31 0.02 0.78 -1.14 0.00 0.00 176.83 176.80 2jci h ASN 635 N 0.08 -0.03 -0.85 3.07 2.35 -0.90 -1.71 115.58 117.60 2jci h ASN 635 Ca 0.05 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2jci h ASN 635 Cb 0.17 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 2jci h ASN 635 CO -0.00 0.01 0.51 0.25 -1.65 0.00 0.00 177.43 176.55 2jci h LEU 636 N 0.08 1.02 -1.08 1.61 5.85 -0.98 -1.70 115.31 120.11 2jci h LEU 636 Ca 0.09 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2jci h LEU 636 Cb 0.10 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 2jci h LEU 636 CO -0.13 0.78 0.62 0.74 -0.34 0.00 0.00 178.44 180.11 2jci h THR 637 N 1.16 1.19 -0.00 1.05 2.02 -0.59 0.32 112.91 118.05 2jci h THR 637 Ca 0.30 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.92 2jci h THR 637 Cb -0.05 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.20 2jci h THR 637 CO -0.06 0.22 -0.67 0.28 0.37 0.00 0.00 175.52 175.67 2jci h SER 638 N 1.22 0.02 -0.04 4.18 0.02 -0.49 -3.14 113.55 115.32 2jci h SER 638 Ca 0.37 -0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 61.05 2jci h SER 638 Cb -0.04 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 62.51 2jci h SER 638 CO -0.10 0.69 -0.97 -0.07 -1.14 0.00 0.00 176.83 175.23 2jci h LEU 639 N 0.01 0.93 -5.85 5.07 3.38 -0.67 -3.46 115.31 114.73 2jci h LEU 639 Ca -0.01 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2jci h LEU 639 Cb 1.19 -0.28 -0.19 0.00 0.09 0.00 0.00 40.66 41.47 2jci h LEU 639 CO 0.09 1.51 -0.35 0.21 0.09 0.00 0.00 178.44 179.99 2jci s ASN 640 N -7.24 -1.26 0.27 -0.43 3.04 0.11 -5.03 114.94 104.39 2jci s ASN 640 Ca -0.10 -0.47 -0.01 0.00 0.04 0.00 0.00 52.86 52.32 2jci s ASN 640 Cb 0.07 1.64 0.48 0.00 -1.54 0.00 0.00 41.25 41.91 2jci s ASN 640 CO 0.92 -0.16 1.84 -0.65 -3.04 0.00 0.00 177.10 176.01 2jci h PRO 641 N 6.86 0.96 -0.24 0.43 0.11 -1.71 -0.01 132.00 138.41 2jci h PRO 641 Ca 0.02 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 2jci h PRO 641 Cb 1.19 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2jci h PRO 641 CO 0.06 0.64 0.04 1.15 -0.21 0.00 0.00 178.00 179.67 2jci h THR 642 N 0.99 1.23 0.00 -1.15 2.02 -1.93 -2.69 112.91 111.38 2jci h THR 642 Ca 0.46 -0.78 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 2jci h THR 642 Cb 0.38 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2jci h THR 642 CO -0.24 0.25 -0.28 0.25 0.37 0.00 0.00 175.52 175.87 2jci h LEU 643 N 0.20 0.00 -1.18 2.58 5.85 -1.75 -1.55 115.31 119.47 2jci h LEU 643 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2jci h LEU 643 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2jci h LEU 643 CO 0.01 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 178.38 2jci h ALA 644 N 1.72 1.00 -0.05 1.25 0.00 -0.68 -1.93 119.26 120.57 2jci h ALA 644 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jci h ALA 644 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jci h ALA 644 CO 0.04 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.38 2jci n ASN 645 N -2.86 1.05 -4.32 0.00 3.02 -0.58 -4.79 115.26 106.78 2jci n ASN 645 Ca 0.01 -1.44 -0.29 0.00 -0.03 0.00 0.00 54.58 52.83 2jci n ASN 645 Cb 0.30 -0.03 0.24 0.00 -0.61 0.00 0.00 39.78 39.68 2jci n ASN 645 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jci s ALA 646 N -1.95 -0.15 -1.16 5.41 0.00 -0.73 -4.88 121.76 118.30 2jci s ALA 646 Ca 0.37 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 51.85 2jci s ALA 646 Cb 0.19 -3.13 0.24 0.00 0.00 0.00 0.00 23.12 20.43 2jci s ALA 646 CO 0.31 -3.74 1.46 -3.47 0.00 0.00 0.00 175.76 170.32 2jci n ASP 647 N -4.86 5.64 -4.75 0.00 2.03 -1.26 -5.00 116.55 108.35 2jci n ASP 647 Ca 0.05 -3.16 -0.41 0.00 0.52 0.00 0.00 54.79 51.80 2jci n ASP 647 Cb 0.56 -1.41 -0.05 0.00 -0.72 0.00 0.00 41.12 39.51 2jci n ASP 647 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2jci s TRP 648 N -0.79 3.74 0.20 -0.67 0.52 -1.26 -4.50 118.94 116.18 2jci s TRP 648 Ca 0.35 1.75 0.04 0.00 0.02 0.00 0.00 56.10 58.26 2jci s TRP 648 Cb 0.00 -3.16 -0.05 0.00 -1.15 0.00 0.00 33.47 29.11 2jci s TRP 648 CO 0.01 -0.16 -0.06 0.96 0.02 0.00 0.00 176.95 177.72 2jci s ILE 649 N -0.70 1.19 0.00 2.03 -4.36 0.35 -4.58 121.20 115.12 2jci s ILE 649 Ca 0.45 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 2jci s ILE 649 Cb -0.28 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.30 2jci s ILE 649 CO 0.35 -0.51 0.00 0.61 0.24 0.00 0.00 174.94 175.63 2jci n GLY 650 N -0.34 0.81 3.15 6.27 0.00 -1.06 -0.26 105.19 113.77 2jci n GLY 650 Ca -0.07 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 2jci n GLY 650 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jci s LYS 651 N -2.00 0.37 0.40 1.61 2.47 -0.86 -4.52 119.74 117.21 2jci s LYS 651 Ca 0.00 0.22 0.06 0.00 -1.56 0.00 0.00 55.97 54.69 2jci s LYS 651 Cb 0.00 0.17 0.00 0.00 -1.46 0.00 0.00 37.83 36.55 2jci s LYS 651 CO 0.00 -0.06 0.56 0.95 0.16 0.00 0.00 175.35 176.96 2jci s THR 652 N -0.20 3.40 0.01 3.43 -4.23 -1.26 -1.77 115.64 115.01 2jci s THR 652 Ca -0.03 -0.94 -0.17 0.00 -1.18 0.00 0.00 61.69 59.37 2jci s THR 652 Cb -0.03 -3.17 0.03 0.00 1.34 0.00 0.00 72.50 70.67 2jci s THR 652 CO 0.01 -0.07 0.36 -0.83 -0.54 0.00 0.00 174.62 173.54 2jci s GLY 653 N -4.29 -0.20 -0.03 3.99 0.00 0.14 -3.42 107.32 103.51 2jci s GLY 653 Ca 0.51 0.33 -0.00 0.00 0.00 0.00 0.00 44.72 45.56 2jci s GLY 653 CO 0.33 0.10 0.03 -1.59 0.00 0.00 0.00 173.10 171.97 2jci s THR 654 N -1.79 0.01 0.42 0.90 2.01 -1.26 -0.54 115.64 115.39 2jci s THR 654 Ca -0.10 0.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.89 2jci s THR 654 Cb -0.03 -0.16 -0.10 0.00 0.01 0.00 0.00 72.50 72.22 2jci s THR 654 CO 0.02 0.12 0.99 0.42 -0.69 0.00 0.00 174.62 175.49 2jci s THR 655 N 1.25 4.05 -0.46 -0.82 -4.23 -0.72 -4.51 115.64 110.21 2jci s THR 655 Ca -0.07 1.41 -0.27 0.00 -1.18 0.00 0.00 61.69 61.58 2jci s THR 655 Cb -0.13 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.09 2jci s THR 655 CO -0.03 -0.15 0.99 0.20 -0.54 0.00 0.00 174.62 175.10 2jci s ASN 656 N -1.90 6.56 0.00 3.99 0.01 -1.26 0.55 114.94 122.89 2jci s ASN 656 Ca 0.61 0.27 0.00 0.00 -0.71 0.00 0.00 52.86 53.02 2jci s ASN 656 Cb -0.15 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.02 2jci s ASN 656 CO 0.20 -1.10 0.00 0.00 -1.51 0.00 0.00 177.10 174.69 2jci n GLN 657 N 7.36 0.00 -3.29 -0.60 1.13 -1.26 -4.90 117.38 115.82 2jci n GLN 657 Ca 0.08 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.97 2jci n GLN 657 Cb 0.49 0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.89 2jci n GLN 657 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2jci n ASP 658 N 0.00 -5.13 0.07 1.08 8.00 0.19 -4.49 116.55 116.26 2jci n ASP 658 Ca 0.00 -0.39 0.12 0.00 0.71 0.00 0.00 54.79 55.23 2jci n ASP 658 Cb 0.00 -3.75 0.05 0.00 -0.02 0.00 0.00 41.12 37.40 2jci n ASP 658 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2jci n GLU 659 N -3.73 0.43 -3.80 -1.24 0.00 -1.26 -0.03 120.64 111.02 2jci n GLU 659 Ca 0.01 0.07 -0.15 0.00 0.00 0.00 0.00 57.16 57.09 2jci n GLU 659 Cb 0.54 -1.71 -0.16 0.00 0.00 0.00 0.00 31.44 30.11 2jci n GLU 659 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2jci s ASN 660 N -4.62 0.09 0.10 -1.84 0.01 -1.26 -4.18 114.94 103.24 2jci s ASN 660 Ca 0.02 0.03 0.08 0.00 -0.71 0.00 0.00 52.86 52.28 2jci s ASN 660 Cb 0.12 -0.07 -0.04 0.00 0.41 0.00 0.00 41.25 41.67 2jci s ASN 660 CO 0.78 -0.11 -0.17 -0.04 -1.51 0.00 0.00 177.10 176.05 2jci s MET 661 N 0.93 1.91 -0.01 -0.60 -1.94 -0.55 -1.75 119.30 117.30 2jci s MET 661 Ca -0.08 -1.11 0.00 0.00 -1.71 0.00 0.00 55.69 52.80 2jci s MET 661 Cb -0.11 -2.16 0.01 0.00 2.01 0.00 0.00 34.83 34.57 2jci s MET 661 CO -0.03 0.50 -0.01 -1.58 -0.01 0.00 0.00 175.02 173.90 2jci s TRP 662 N -1.11 0.14 -0.10 -0.03 0.52 0.30 -1.46 118.94 117.20 2jci s TRP 662 Ca 0.18 -0.00 -0.02 0.00 0.02 0.00 0.00 56.10 56.28 2jci s TRP 662 Cb -0.11 -0.14 0.03 0.00 -1.15 0.00 0.00 33.47 32.11 2jci s TRP 662 CO 0.10 -0.03 -0.00 -1.17 0.02 0.00 0.00 176.95 175.87 2jci s LEU 663 N 0.21 0.77 -0.13 2.99 0.20 -0.59 -0.69 118.68 121.44 2jci s LEU 663 Ca -0.02 -0.25 -0.02 0.00 0.69 0.00 0.00 54.13 54.54 2jci s LEU 663 Cb -0.03 -0.51 -0.02 0.00 -0.43 0.00 0.00 46.19 45.19 2jci s LEU 663 CO -0.01 -0.21 -0.08 -0.04 -0.29 0.00 0.00 176.35 175.73 2jci s MET 664 N 1.92 3.42 0.03 1.98 -1.94 -0.73 -1.08 119.30 122.90 2jci s MET 664 Ca 0.04 -0.59 0.03 0.00 -1.71 0.00 0.00 55.69 53.46 2jci s MET 664 Cb -0.13 -2.76 -0.02 0.00 2.01 0.00 0.00 34.83 33.93 2jci s MET 664 CO -0.06 0.30 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.65 2jci s LEU 665 N 0.16 2.18 0.01 -0.03 1.43 0.41 -2.04 118.68 120.81 2jci s LEU 665 Ca -0.04 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.59 2jci s LEU 665 Cb -0.14 -0.32 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 2jci s LEU 665 CO 0.04 -0.08 0.07 -0.44 0.23 0.00 0.00 176.35 176.17 2jci s SER 666 N -1.16 0.11 0.48 2.29 0.01 0.65 0.53 113.70 116.60 2jci s SER 666 Ca -0.04 -0.31 0.06 0.00 1.31 0.00 0.00 55.95 56.98 2jci s SER 666 Cb -0.08 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2jci s SER 666 CO 0.01 -0.33 0.35 0.42 0.41 0.00 0.00 173.24 174.10 2jci s THR 667 N -1.35 2.08 0.47 1.44 -4.23 -0.44 -0.49 115.64 113.11 2jci s THR 667 Ca -0.15 -1.49 0.19 0.00 -1.18 0.00 0.00 61.69 59.07 2jci s THR 667 Cb -0.08 -2.57 0.37 0.00 1.34 0.00 0.00 72.50 71.56 2jci s THR 667 CO 0.00 0.00 1.95 -0.65 -0.54 0.00 0.00 174.62 175.38 2jci h PRO 668 N 0.97 0.25 0.18 3.99 0.11 -1.82 -3.09 132.00 132.60 2jci h PRO 668 Ca -0.39 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.41 2jci h PRO 668 Cb 1.28 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.35 2jci h PRO 668 CO 0.60 0.17 -1.36 0.00 -0.21 0.00 0.00 178.00 177.20 2jci h ARG 669 N 0.26 0.38 -6.12 1.05 3.08 -1.91 -3.44 114.38 107.68 2jci h ARG 669 Ca 0.33 -0.66 -0.57 0.00 0.07 0.00 0.00 59.98 59.16 2jci h ARG 669 Cb 0.93 0.24 -0.24 0.00 0.08 0.00 0.00 29.97 30.99 2jci h ARG 669 CO -0.07 1.31 -0.83 -0.51 -1.07 0.00 0.00 179.97 178.80 2jci s LEU 670 N -7.59 2.24 -0.06 3.04 1.43 -1.17 0.71 118.68 117.28 2jci s LEU 670 Ca -0.14 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 2jci s LEU 670 Cb 0.04 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 2jci s LEU 670 CO 0.86 0.10 -0.09 -0.89 0.23 0.00 0.00 176.35 176.55 2jci s THR 671 N -1.00 3.48 -0.16 5.49 2.01 -0.62 -1.33 115.64 123.51 2jci s THR 671 Ca 0.07 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.50 2jci s THR 671 Cb -0.09 -2.40 0.03 0.00 0.01 0.00 0.00 72.50 70.04 2jci s THR 671 CO 0.03 0.60 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.24 2jci s LEU 672 N -0.78 1.72 0.08 4.42 2.96 0.19 -0.47 118.68 126.78 2jci s LEU 672 Ca 0.12 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2jci s LEU 672 Cb -0.11 -1.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.47 2jci s LEU 672 CO 0.01 -0.12 0.27 -0.83 -1.32 0.00 0.00 176.35 174.36 2jci s GLY 673 N 1.54 2.21 -0.11 7.98 0.00 -0.70 -0.44 107.32 117.79 2jci s GLY 673 Ca 0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 44.72 43.96 2jci s GLY 673 CO -0.09 -0.64 0.28 -0.32 0.00 0.00 0.00 173.10 172.33 2jci s GLY 674 N -2.34 -0.19 0.04 0.20 0.00 -0.24 -2.75 107.32 102.04 2jci s GLY 674 Ca 0.35 1.00 0.09 0.00 0.00 0.00 0.00 44.72 46.17 2jci s GLY 674 CO 0.25 1.12 -0.26 0.86 0.00 0.00 0.00 173.10 175.07 2jci s TRP 675 N 0.90 2.31 0.12 1.90 -0.00 0.51 -1.54 118.94 123.14 2jci s TRP 675 Ca -0.06 -0.41 0.03 0.00 -0.00 0.00 0.00 56.10 55.66 2jci s TRP 675 Cb -0.07 -1.38 -0.04 0.00 -0.00 0.00 0.00 33.47 31.97 2jci s TRP 675 CO -0.06 0.12 -0.09 0.96 -0.00 0.00 0.00 176.95 177.88 2jci s ILE 676 N -0.80 0.95 -3.46 5.86 -4.36 -0.54 -1.16 121.20 117.69 2jci s ILE 676 Ca 0.12 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.57 2jci s ILE 676 Cb -0.10 -1.69 0.00 0.00 1.25 0.00 0.00 42.46 41.92 2jci s ILE 676 CO 0.02 -0.76 0.00 0.61 0.24 0.00 0.00 174.94 175.05 2jci n GLY 677 N 0.00 -1.95 3.68 6.27 0.00 -1.02 -1.48 105.19 110.70 2jci n GLY 677 Ca -0.12 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 2jci n GLY 677 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jci s HIS 678 N -2.42 3.09 0.45 1.61 3.76 -1.26 -0.70 115.29 119.83 2jci s HIS 678 Ca 0.00 0.10 0.16 0.00 -0.15 0.00 0.00 55.06 55.17 2jci s HIS 678 Cb 0.00 -1.69 1.11 0.00 1.11 0.00 0.00 32.58 33.11 2jci s HIS 678 CO 0.00 0.46 1.99 -0.44 -0.85 0.00 0.00 174.74 175.90 2jci h ASP 679 N 4.49 0.29 -0.56 1.40 3.32 -1.94 -2.08 116.42 121.33 2jci h ASP 679 Ca -0.49 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2jci h ASP 679 Cb 1.18 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2jci h ASP 679 CO 0.57 0.17 0.00 -0.90 -1.72 0.00 0.00 179.24 177.36 2jci n ASP 680 N -4.46 5.16 -1.11 6.45 5.68 -1.26 -4.94 116.55 122.07 2jci n ASP 680 Ca 0.09 -2.74 -0.14 0.00 -0.50 0.00 0.00 54.79 51.50 2jci n ASP 680 Cb 0.41 -0.64 -0.06 0.00 -1.14 0.00 0.00 41.12 39.69 2jci n ASP 680 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2jci n ASN 681 N 0.72 -4.73 -4.83 -1.12 5.15 -0.78 -5.01 115.26 104.65 2jci n ASN 681 Ca 0.25 0.35 -0.31 0.00 -0.60 0.00 0.00 54.58 54.27 2jci n ASN 681 Cb 1.05 -3.49 0.04 0.00 -0.53 0.00 0.00 39.78 36.85 2jci n ASN 681 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 2jci s HIS 682 N -2.53 3.26 0.28 1.20 -3.43 -1.26 -4.81 115.29 107.99 2jci s HIS 682 Ca 0.00 1.39 -0.29 0.00 -0.80 0.00 0.00 55.06 55.36 2jci s HIS 682 Cb 0.00 -2.84 -0.13 0.00 -1.43 0.00 0.00 32.58 28.18 2jci s HIS 682 CO 0.00 -1.06 1.24 0.43 -2.00 0.00 0.00 174.74 173.35 2jci n SER 683 N -2.93 2.23 -4.65 7.38 7.64 -1.26 -4.44 113.62 117.58 2jci n SER 683 Ca 0.07 1.17 -0.27 0.00 1.01 0.00 0.00 58.87 60.85 2jci n SER 683 Cb 0.54 -1.39 0.11 0.00 -1.01 0.00 0.00 64.21 62.46 2jci n SER 683 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jci s LEU 684 N -0.12 2.74 0.87 -3.43 1.43 0.96 -4.90 118.68 116.23 2jci s LEU 684 Ca 0.62 0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.95 2jci s LEU 684 Cb -0.66 -2.75 0.11 0.00 0.03 0.00 0.00 46.19 42.93 2jci s LEU 684 CO 0.57 -2.04 1.11 -0.94 0.23 0.00 0.00 176.35 175.28 2jci s SER 685 N -4.67 3.87 0.25 2.29 1.04 -1.26 -4.88 113.70 110.34 2jci s SER 685 Ca 0.65 1.21 -0.03 0.00 0.48 0.00 0.00 55.95 58.27 2jci s SER 685 Cb -0.08 -1.88 0.41 0.00 0.10 0.00 0.00 66.02 64.57 2jci s SER 685 CO 0.48 -2.35 1.83 -0.61 0.98 0.00 0.00 173.24 173.57 2jci h GLN 686 N -1.36 0.90 -0.52 4.02 4.15 -1.98 -2.90 115.11 117.42 2jci h GLN 686 Ca -0.49 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.87 2jci h GLN 686 Cb 1.30 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2jci h GLN 686 CO 0.59 0.59 0.00 1.04 -1.93 0.00 0.00 178.83 179.13 2jci n GLN 687 N -4.66 2.29 -0.11 1.69 1.13 -1.26 -4.54 117.38 111.92 2jci n GLN 687 Ca 0.15 -1.85 0.00 0.00 -1.94 0.00 0.00 57.00 53.35 2jci n GLN 687 Cb 0.25 -1.44 0.27 0.00 0.11 0.00 0.00 30.24 29.44 2jci n GLN 687 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jci h ALA 688 N 3.89 1.42 0.09 -1.58 0.00 -1.88 -0.00 119.26 121.19 2jci h ALA 688 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.56 2jci h ALA 688 Cb 0.74 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jci h ALA 688 CO 0.03 0.45 -1.16 0.78 0.00 0.00 0.00 179.25 179.34 2jci h GLY 689 N 0.87 0.22 0.12 0.00 0.00 -1.85 0.11 103.07 102.55 2jci h GLY 689 Ca 0.19 -0.56 0.02 0.00 0.00 0.00 0.00 47.33 46.98 2jci h GLY 689 CO -0.02 0.49 -0.49 -1.82 0.00 0.00 0.00 176.54 174.70 2jci h TYR 690 N -0.48 -1.40 0.00 5.60 3.20 -1.68 -3.22 116.97 118.99 2jci h TYR 690 Ca -0.26 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.65 2jci h TYR 690 Cb 1.60 0.61 0.00 0.00 1.54 0.00 0.00 36.73 40.48 2jci h TYR 690 CO 0.15 -0.56 -0.61 0.45 -1.64 0.00 0.00 178.16 175.95 2jci n SER 691 N -5.47 1.26 0.20 -2.11 2.88 -0.02 -2.14 113.62 108.22 2jci n SER 691 Ca -0.07 0.21 -0.17 0.00 -1.33 0.00 0.00 58.87 57.51 2jci n SER 691 Cb 0.40 -0.62 -0.09 0.00 -0.75 0.00 0.00 64.21 63.14 2jci n SER 691 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2jci h ASN 692 N -0.61 -1.43 -0.63 -3.46 4.21 -1.44 0.12 115.58 112.33 2jci h ASN 692 Ca 0.00 0.13 -0.08 0.00 1.21 0.00 0.00 56.30 57.57 2jci h ASN 692 Cb 0.61 0.50 -0.03 0.00 -1.12 0.00 0.00 38.32 38.29 2jci h ASN 692 CO 0.00 -0.60 0.11 -1.13 -1.29 0.00 0.00 177.43 174.52 2jci h ASN 693 N -0.86 1.01 -0.99 5.81 -1.24 -0.95 0.45 115.58 118.82 2jci h ASN 693 Ca -0.03 -0.23 0.12 0.00 0.71 0.00 0.00 56.30 56.87 2jci h ASN 693 Cb 0.80 -0.27 -0.08 0.00 0.73 0.00 0.00 38.32 39.50 2jci h ASN 693 CO -0.17 1.00 0.62 0.28 -1.29 0.00 0.00 177.43 177.87 2jci h SER 694 N 0.99 0.90 -0.10 1.15 0.02 -1.47 0.61 113.55 115.66 2jci h SER 694 Ca 0.20 0.05 -0.20 0.00 -0.84 0.00 0.00 61.79 61.00 2jci h SER 694 Cb 0.42 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.84 2jci h SER 694 CO 0.01 0.48 -0.71 -1.13 -1.14 0.00 0.00 176.83 174.34 2jci h ASN 695 N 0.97 0.81 -0.21 3.07 -0.00 -0.10 -0.98 115.58 119.14 2jci h ASN 695 Ca 0.49 -0.66 -0.05 0.00 -0.00 0.00 0.00 56.30 56.08 2jci h ASN 695 Cb 0.48 -0.24 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 2jci h ASN 695 CO -0.27 1.34 -0.06 0.22 -0.00 0.00 0.00 177.43 178.66 2jci h TYR 696 N 0.33 0.46 -0.26 0.67 3.20 -0.40 -0.74 116.97 120.24 2jci h TYR 696 Ca -0.06 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 2jci h TYR 696 Cb 1.36 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2jci h TYR 696 CO 0.10 0.67 0.12 0.52 -1.64 0.00 0.00 178.16 177.93 2jci h MET 697 N 0.13 0.35 -0.33 1.82 2.86 0.30 -1.69 114.93 118.37 2jci h MET 697 Ca 0.05 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 2jci h MET 697 Cb 0.53 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2jci h MET 697 CO 0.02 0.28 -0.14 0.00 1.06 0.00 0.00 176.91 178.14 2jci h ALA 698 N 1.78 1.15 -0.31 6.32 0.00 0.23 -0.70 119.26 127.72 2jci h ALA 698 Ca 0.09 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2jci h ALA 698 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2jci h ALA 698 CO -0.01 0.54 -0.13 0.45 0.00 0.00 0.00 179.25 180.09 2jci h HIS 699 N 0.53 0.59 -0.05 0.00 -0.00 -0.51 -2.50 115.15 113.20 2jci h HIS 699 Ca 0.09 -0.10 -0.14 0.00 -0.00 0.00 0.00 60.37 60.22 2jci h HIS 699 Cb 0.55 -0.16 0.01 0.00 -0.00 0.00 0.00 27.41 27.81 2jci h HIS 699 CO 0.02 0.66 -0.52 1.25 -0.00 0.00 0.00 177.93 179.34 2jci h LEU 700 N 0.50 0.55 -1.07 2.43 5.85 -0.57 -0.84 115.31 122.16 2jci h LEU 700 Ca 0.09 -0.69 0.11 0.00 0.84 0.00 0.00 57.88 58.23 2jci h LEU 700 Cb 0.53 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 2jci h LEU 700 CO 0.03 1.16 0.62 0.58 -0.34 0.00 0.00 178.44 180.50 2jci h VAL 701 N -0.01 0.94 -0.11 1.05 2.07 -1.14 -0.29 116.25 118.74 2jci h VAL 701 Ca -0.05 -0.33 -0.21 0.00 0.82 0.00 0.00 66.70 66.92 2jci h VAL 701 Cb 1.19 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2jci h VAL 701 CO 0.11 0.18 -0.79 -1.13 0.02 0.00 0.00 177.57 175.96 2jci h ASN 702 N 0.98 0.78 -0.01 0.57 -1.24 -0.93 -2.36 115.58 113.36 2jci h ASN 702 Ca 0.47 -0.52 -0.04 0.00 0.71 0.00 0.00 56.30 56.92 2jci h ASN 702 Cb 0.46 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 2jci h ASN 702 CO -0.23 1.30 -0.10 0.00 -1.29 0.00 0.00 177.43 177.11 2jci h ALA 703 N 0.68 1.54 -0.18 1.57 0.00 -0.28 -0.51 119.26 122.08 2jci h ALA 703 Ca -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2jci h ALA 703 Cb 1.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2jci h ALA 703 CO 0.15 0.33 0.02 0.82 0.00 0.00 0.00 179.25 180.57 2jci h ILE 704 N 0.24 1.23 -0.44 0.00 2.04 -0.75 -1.79 117.51 118.04 2jci h ILE 704 Ca 0.05 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.18 2jci h ILE 704 Cb 0.33 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 2jci h ILE 704 CO 0.02 0.23 0.22 -0.61 0.00 0.00 0.00 178.15 178.01 2jci h GLN 705 N 0.08 0.43 -0.12 2.37 5.75 -0.86 0.98 115.11 123.74 2jci h GLN 705 Ca 0.05 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 2jci h GLN 705 Cb 0.33 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 2jci h GLN 705 CO 0.01 0.28 -0.23 1.96 -2.65 0.00 0.00 178.83 178.20 2jci h GLN 706 N 0.44 0.21 0.01 1.69 1.08 -0.98 -2.30 115.11 115.26 2jci h GLN 706 Ca 0.19 -0.06 -0.23 0.00 -1.45 0.00 0.00 58.65 57.10 2jci h GLN 706 Cb 0.10 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 2jci h GLN 706 CO -0.13 0.44 -1.15 0.00 -0.95 0.00 0.00 178.83 177.03 2jci h ALA 707 N 1.58 0.41 -2.13 3.87 0.00 -0.41 -3.41 119.26 119.17 2jci h ALA 707 Ca 0.03 -1.01 -0.49 0.00 0.00 0.00 0.00 54.91 53.44 2jci h ALA 707 Cb 0.52 -0.03 -0.34 0.00 0.00 0.00 0.00 17.79 17.95 2jci h ALA 707 CO 0.04 1.30 -0.84 0.45 0.00 0.00 0.00 179.25 180.19 2jci s SER 708 N -6.62 1.20 0.58 0.00 0.15 0.25 -4.77 113.70 104.49 2jci s SER 708 Ca -0.00 -2.49 0.27 0.00 0.70 0.00 0.00 55.95 54.42 2jci s SER 708 Cb 0.09 0.07 1.62 0.00 -1.71 0.00 0.00 66.02 66.10 2jci s SER 708 CO 0.82 -0.19 2.13 -0.65 1.20 0.00 0.00 173.24 176.55 2jci h PRO 709 N 6.00 0.00 -0.00 5.44 0.11 -1.67 0.06 132.00 141.94 2jci h PRO 709 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2jci h PRO 709 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2jci h PRO 709 CO 0.27 0.00 -0.10 0.43 -0.21 0.00 0.00 178.00 178.39 2jci n SER 710 N -3.95 0.33 -0.14 -2.05 7.64 -1.26 -4.65 113.62 109.54 2jci n SER 710 Ca 0.01 -0.37 -0.08 0.00 1.01 0.00 0.00 58.87 59.44 2jci n SER 710 Cb 0.27 -0.13 0.08 0.00 -1.01 0.00 0.00 64.21 63.42 2jci n SER 710 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2jci h ILE 711 N 0.36 1.26 -0.13 0.44 6.09 -1.32 -2.65 117.51 121.56 2jci h ILE 711 Ca 0.00 -1.21 -0.12 0.00 -1.37 0.00 0.00 64.86 62.16 2jci h ILE 711 Cb 0.36 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 38.63 2jci h ILE 711 CO 0.00 0.42 -0.46 -0.50 -3.07 0.00 0.00 178.15 174.54 2jci h TRP 712 N 0.81 0.38 0.00 2.19 4.06 -1.82 -3.44 115.95 118.12 2jci h TRP 712 Ca 0.13 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2jci h TRP 712 Cb 0.62 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.70 2jci h TRP 712 CO 0.04 0.72 0.00 0.41 -3.56 0.00 0.00 178.44 176.05 2jci n GLY 713 N -0.03 -2.35 0.38 1.49 0.00 -1.00 -4.13 105.19 99.55 2jci n GLY 713 Ca -0.02 -1.47 0.04 0.00 0.00 0.00 0.00 46.02 44.57 2jci n GLY 713 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jci n ASN 714 N -2.09 2.26 -4.56 1.61 5.15 -1.26 -4.79 115.26 111.58 2jci n ASN 714 Ca 0.00 -1.76 -0.29 0.00 -0.60 0.00 0.00 54.58 51.93 2jci n ASN 714 Cb 0.00 -0.10 0.22 0.00 -0.53 0.00 0.00 39.78 39.37 2jci n ASN 714 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2jci s GLU 715 N -0.86 -0.15 0.04 1.20 8.01 -1.26 -4.77 118.70 120.90 2jci s GLU 715 Ca 0.13 1.11 0.06 0.00 0.01 0.00 0.00 54.97 56.28 2jci s GLU 715 Cb 0.07 -1.62 -0.03 0.00 -4.31 0.00 0.00 34.13 28.24 2jci s GLU 715 CO 0.10 -3.29 -0.14 1.03 0.01 0.00 0.00 175.26 172.97 2jci s ARG 716 N -4.54 2.20 0.67 1.61 1.81 -1.26 -4.25 118.95 115.19 2jci s ARG 716 Ca 0.68 -0.92 -0.14 0.00 -1.72 0.00 0.00 55.73 53.63 2jci s ARG 716 Cb -0.24 -2.28 0.00 0.00 -0.45 0.00 0.00 34.95 31.98 2jci s ARG 716 CO 0.62 0.55 1.09 -0.06 -0.68 0.00 0.00 175.30 176.82 2jci s PHE 717 N -0.98 2.76 -0.28 -0.53 0.08 -1.26 -4.96 117.98 112.81 2jci s PHE 717 Ca 0.16 1.53 -0.21 0.00 0.12 0.00 0.00 56.93 58.53 2jci s PHE 717 Cb -0.11 -3.07 0.08 0.00 -0.57 0.00 0.00 43.02 39.35 2jci s PHE 717 CO 0.07 -1.52 0.75 0.00 -0.10 0.00 0.00 175.22 174.42 2jci s ALA 718 N -2.55 -1.86 0.06 5.36 0.00 -1.26 -5.07 121.76 116.44 2jci s ALA 718 Ca 0.64 2.18 -0.37 0.00 0.00 0.00 0.00 51.96 54.40 2jci s ALA 718 Cb -0.18 -1.32 -0.18 0.00 0.00 0.00 0.00 23.12 21.43 2jci s ALA 718 CO 0.44 -0.35 1.13 1.28 0.00 0.00 0.00 175.76 178.27 2jci n LEU 719 N 3.31 0.61 -4.77 0.00 4.32 -1.26 -4.88 117.00 114.34 2jci n LEU 719 Ca -0.16 1.14 -0.39 0.00 -0.02 0.00 0.00 56.01 56.58 2jci n LEU 719 Cb 0.57 -1.04 -0.04 0.00 -1.62 0.00 0.00 43.42 41.29 2jci n LEU 719 CO 0.01 -1.63 0.77 -0.62 -1.22 0.00 0.00 177.39 174.70 2jci s ASP 720 N 0.10 7.05 0.52 -1.43 2.15 -1.26 -4.90 116.67 118.89 2jci s ASP 720 Ca 0.85 2.19 0.36 0.00 0.43 0.00 0.00 52.55 56.38 2jci s ASP 720 Cb -1.10 -2.61 1.51 0.00 -0.30 0.00 0.00 42.92 40.42 2jci s ASP 720 CO 0.53 -0.29 1.75 -0.65 -0.17 0.00 0.00 175.17 176.34 2jci h PRO 721 N 3.29 0.06 0.00 4.34 0.11 -1.97 0.27 132.00 138.10 2jci h PRO 721 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jci h PRO 721 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jci h PRO 721 CO 0.65 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.35 2jci n SER 722 N -4.24 0.00 -4.75 -2.05 3.41 -1.26 -4.80 113.62 99.93 2jci n SER 722 Ca 0.29 0.04 -0.40 0.00 -0.26 0.00 0.00 58.87 58.54 2jci n SER 722 Cb 1.34 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 65.00 2jci n SER 722 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jci s VAL 723 N -2.47 4.15 -0.10 -3.33 1.01 0.08 -4.92 120.40 114.83 2jci s VAL 723 Ca 0.12 2.08 -0.15 0.00 0.00 0.00 0.00 61.98 64.03 2jci s VAL 723 Cb 0.07 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2jci s VAL 723 CO 0.16 0.47 0.36 -0.69 0.00 0.00 0.00 175.10 175.40 2jci s VAL 724 N -0.99 5.21 0.01 2.92 1.01 -0.71 -4.94 120.40 122.90 2jci s VAL 724 Ca 0.42 0.71 -0.06 0.00 0.00 0.00 0.00 61.98 63.05 2jci s VAL 724 Cb -0.26 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2jci s VAL 724 CO 0.32 0.45 0.25 -0.54 0.00 0.00 0.00 175.10 175.58 2jci s LYS 725 N -0.07 3.55 -0.01 2.72 1.02 -1.26 -1.22 119.74 124.48 2jci s LYS 725 Ca 0.21 -0.12 0.02 0.00 0.02 0.00 0.00 55.97 56.10 2jci s LYS 725 Cb -0.14 -3.08 -0.00 0.00 -0.52 0.00 0.00 37.83 34.09 2jci s LYS 725 CO 0.08 0.65 -0.08 -1.12 -0.92 0.00 0.00 175.35 173.96 2jci s SER 726 N -1.76 0.94 -0.29 2.83 0.01 0.06 -4.91 113.70 110.57 2jci s SER 726 Ca 0.28 -0.14 -0.29 0.00 1.31 0.00 0.00 55.95 57.10 2jci s SER 726 Cb -0.13 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 65.98 2jci s SER 726 CO 0.17 0.09 1.10 -0.70 0.41 0.00 0.00 173.24 174.30 2jci s GLU 727 N -0.12 4.10 0.24 12.44 2.12 -1.26 0.03 118.70 136.25 2jci s GLU 727 Ca 0.02 1.17 0.09 0.00 0.36 0.00 0.00 54.97 56.61 2jci s GLU 727 Cb -0.04 -3.73 -0.05 0.00 0.26 0.00 0.00 34.13 30.57 2jci s GLU 727 CO -0.00 -0.86 -0.16 0.14 -0.54 0.00 0.00 175.26 173.84 2jci s VAL 728 N 3.62 2.02 0.23 3.70 -7.23 -0.50 -4.38 120.40 117.86 2jci s VAL 728 Ca 0.46 -2.28 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 2jci s VAL 728 Cb -0.13 -2.16 -0.10 0.00 0.56 0.00 0.00 36.38 34.54 2jci s VAL 728 CO 0.14 -0.51 1.47 -0.76 -0.31 0.00 0.00 175.10 175.13 2jci s LEU 729 N -3.40 4.38 0.40 1.32 1.43 0.86 -1.49 118.68 122.18 2jci s LEU 729 Ca 0.26 2.65 0.15 0.00 -1.03 0.00 0.00 54.13 56.16 2jci s LEU 729 Cb -0.02 -3.62 1.01 0.00 0.03 0.00 0.00 46.19 43.59 2jci s LEU 729 CO 0.10 -0.73 1.85 0.11 0.23 0.00 0.00 176.35 177.91 2jci h LYS 730 N 5.49 0.47 0.00 1.70 1.57 -1.61 -1.60 116.57 122.59 2jci h LYS 730 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2jci h LYS 730 Cb 1.21 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2jci h LYS 730 CO 0.81 0.31 -0.81 -1.13 -0.57 0.00 0.00 179.45 178.07 2jci n SER 731 N -4.55 0.63 -0.00 0.86 3.41 -1.26 -4.01 113.62 108.70 2jci n SER 731 Ca 0.19 -0.19 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 2jci n SER 731 Cb 0.65 0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 65.11 2jci n SER 731 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jci n THR 732 N -1.86 0.00 -0.63 6.66 -2.24 -1.15 -4.99 114.28 110.07 2jci n THR 732 Ca 0.03 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2jci n THR 732 Cb 0.41 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2jci n THR 732 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jci n GLY 733 N 1.77 0.61 3.58 3.38 0.00 -0.61 -4.40 105.19 109.52 2jci n GLY 733 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2jci n GLY 733 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jci s GLN 734 N -0.45 1.94 0.32 1.61 -0.21 -1.26 -4.49 119.66 117.13 2jci s GLN 734 Ca 0.00 -1.81 -0.29 0.00 0.02 0.00 0.00 55.36 53.28 2jci s GLN 734 Cb 0.00 -1.84 -0.12 0.00 1.00 0.00 0.00 33.01 32.05 2jci s GLN 734 CO 0.00 0.17 1.46 1.63 -2.12 0.00 0.00 175.29 176.43 2jci n LYS 735 N -0.85 2.44 -2.10 2.91 5.02 -0.78 -0.10 118.16 124.70 2jci n LYS 735 Ca -0.05 0.86 -0.38 0.00 -2.02 0.00 0.00 58.31 56.73 2jci n LYS 735 Cb 0.62 -2.56 0.01 0.00 -0.02 0.00 0.00 35.03 33.08 2jci n LYS 735 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2jci s PRO 736 N -1.28 3.58 0.00 1.97 0.04 -1.26 -1.44 135.00 136.61 2jci s PRO 736 Ca 0.59 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2jci s PRO 736 Cb -0.53 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2jci s PRO 736 CO 0.56 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2jci n GLY 737 N 0.54 -0.76 3.56 0.56 0.00 -1.05 -4.80 105.19 103.24 2jci n GLY 737 Ca 0.08 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 2jci n GLY 737 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jci s LYS 738 N -0.99 3.68 -0.03 1.61 1.02 -1.26 -0.16 119.74 123.61 2jci s LYS 738 Ca 0.00 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 55.64 2jci s LYS 738 Cb 0.00 -3.76 0.01 0.00 -0.52 0.00 0.00 37.83 33.56 2jci s LYS 738 CO 0.00 -0.42 -0.07 0.08 -0.92 0.00 0.00 175.35 174.02 2jci s VAL 739 N 1.93 0.66 -0.39 3.17 1.01 0.37 -4.95 120.40 122.20 2jci s VAL 739 Ca 0.10 -0.26 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 2jci s VAL 739 Cb -0.16 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.62 2jci s VAL 739 CO 0.11 0.23 0.89 -0.55 0.00 0.00 0.00 175.10 175.77 2jci s SER 740 N 0.45 6.60 -0.20 3.32 0.15 -1.26 0.15 113.70 122.90 2jci s SER 740 Ca -0.06 0.40 0.01 0.00 0.70 0.00 0.00 55.95 57.00 2jci s SER 740 Cb -0.10 -2.44 0.03 0.00 -1.71 0.00 0.00 66.02 61.79 2jci s SER 740 CO 0.00 -0.87 -0.17 -0.69 1.20 0.00 0.00 173.24 172.71 2jci s VAL 741 N 3.44 2.04 -1.34 4.45 1.01 -0.72 -4.79 120.40 124.49 2jci s VAL 741 Ca 0.36 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2jci s VAL 741 Cb -0.12 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.34 2jci s VAL 741 CO 0.20 0.37 0.03 -1.84 0.00 0.00 0.00 175.10 173.86 2jci n GLU 742 N 4.58 -0.94 0.00 2.72 0.28 -1.26 -2.56 120.64 123.47 2jci n GLU 742 Ca -0.19 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 2jci n GLU 742 Cb 0.48 -3.12 0.00 0.00 1.43 0.00 0.00 31.44 30.23 2jci n GLU 742 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jci n GLY 743 N -2.28 1.94 3.63 -1.84 0.00 -1.26 -5.01 105.19 100.36 2jci n GLY 743 Ca -0.26 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 44.75 2jci n GLY 743 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jci n LYS 744 N 0.00 2.37 -1.73 1.61 4.01 -1.06 -4.96 118.16 118.40 2jci n LYS 744 Ca 0.00 0.80 -0.42 0.00 -0.51 0.00 0.00 58.31 58.18 2jci n LYS 744 Cb 0.00 -3.02 0.00 0.00 -0.51 0.00 0.00 35.03 31.50 2jci n LYS 744 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 2jci n GLU 745 N 7.92 2.32 -4.24 1.97 0.28 -1.26 -1.76 120.64 125.86 2jci n GLU 745 Ca 0.25 0.81 -0.21 0.00 -0.16 0.00 0.00 57.16 57.85 2jci n GLU 745 Cb 0.40 -2.48 -0.12 0.00 1.43 0.00 0.00 31.44 30.66 2jci n GLU 745 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2jci s VAL 746 N -1.12 1.40 -0.29 3.84 1.01 0.39 -4.87 120.40 120.76 2jci s VAL 746 Ca 0.56 -1.40 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 2jci s VAL 746 Cb -0.52 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 2jci s VAL 746 CO 0.62 -0.13 0.80 -0.70 0.00 0.00 0.00 175.10 175.68 2jci s GLU 747 N -1.78 4.02 -0.30 2.72 2.56 -1.26 0.14 118.70 124.80 2jci s GLU 747 Ca 0.02 0.68 -0.11 0.00 0.00 0.00 0.00 54.97 55.56 2jci s GLU 747 Cb -0.10 -3.70 -0.03 0.00 2.00 0.00 0.00 34.13 32.29 2jci s GLU 747 CO 0.03 -0.63 0.20 0.08 -0.56 0.00 0.00 175.26 174.37 2jci s VAL 748 N 2.93 5.17 0.21 3.70 1.01 0.77 -4.98 120.40 129.21 2jci s VAL 748 Ca 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2jci s VAL 748 Cb -0.14 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 2jci s VAL 748 CO 0.11 0.15 0.09 0.42 0.00 0.00 0.00 175.10 175.87 2jci s THR 749 N 1.72 0.35 -5.00 3.92 -4.23 -1.26 -2.52 115.64 108.62 2jci s THR 749 Ca 0.06 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2jci s THR 749 Cb -0.16 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.22 2jci s THR 749 CO 0.10 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 2jci n GLY 750 N -0.33 -0.30 3.74 3.99 0.00 -1.26 -4.92 105.19 106.11 2jci n GLY 750 Ca -0.01 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 2jci n GLY 750 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jci s SER 751 N -0.63 4.79 0.45 1.61 1.04 -1.26 -4.87 113.70 114.83 2jci s SER 751 Ca 0.00 2.57 0.05 0.00 0.48 0.00 0.00 55.95 59.05 2jci s SER 751 Cb 0.00 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 2jci s SER 751 CO 0.00 -1.87 0.09 0.42 0.98 0.00 0.00 173.24 172.86 2jci s THR 752 N -1.44 1.85 0.00 2.02 -4.23 -1.26 -1.67 115.64 110.91 2jci s THR 752 Ca 0.81 -1.87 -0.25 0.00 -1.18 0.00 0.00 61.69 59.20 2jci s THR 752 Cb -0.36 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 70.82 2jci s THR 752 CO 0.38 0.00 0.55 0.54 -0.54 0.00 0.00 174.62 175.55 2jci s VAL 753 N -2.73 0.02 -0.14 2.29 0.11 -0.56 -4.73 120.40 114.67 2jci s VAL 753 Ca 0.29 -0.18 -0.29 0.00 -2.93 0.00 0.00 61.98 58.88 2jci s VAL 753 Cb 0.05 -0.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.97 2jci s VAL 753 CO 0.16 -0.10 1.00 -0.89 -3.33 0.00 0.00 175.10 171.94 2jci s THR 754 N -1.79 4.77 -0.09 5.04 2.01 -1.26 -1.41 115.64 122.91 2jci s THR 754 Ca -0.09 2.01 0.02 0.00 0.31 0.00 0.00 61.69 63.95 2jci s THR 754 Cb -0.01 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 2jci s THR 754 CO 0.04 -0.03 -0.15 -0.55 -0.69 0.00 0.00 174.62 173.23 2jci s SER 755 N 1.12 3.90 -0.12 3.53 0.15 0.11 -4.85 113.70 117.53 2jci s SER 755 Ca 0.47 -0.29 -0.15 0.00 0.70 0.00 0.00 55.95 56.67 2jci s SER 755 Cb -0.17 -1.19 -0.05 0.00 -1.71 0.00 0.00 66.02 62.90 2jci s SER 755 CO 0.15 0.25 0.37 -0.31 1.20 0.00 0.00 173.24 174.90 2jci s TYR 756 N -0.18 3.51 0.21 3.44 2.02 -1.26 -0.76 117.35 124.34 2jci s TYR 756 Ca -0.01 0.75 0.10 0.00 -0.37 0.00 0.00 57.07 57.54 2jci s TYR 756 Cb -0.13 -2.40 -0.05 0.00 -0.40 0.00 0.00 41.96 38.98 2jci s TYR 756 CO 0.03 0.27 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.52 2jci s TRP 757 N 0.31 1.98 -0.21 2.71 0.52 -0.35 -1.09 118.94 122.80 2jci s TRP 757 Ca 0.21 -0.45 0.14 0.00 0.02 0.00 0.00 56.10 56.02 2jci s TRP 757 Cb -0.14 -0.93 0.43 0.00 -1.15 0.00 0.00 33.47 31.69 2jci s TRP 757 CO 0.07 0.47 1.32 0.00 0.02 0.00 0.00 176.95 178.82 2jci n ALA 758 N -0.16 3.35 -3.19 0.98 0.00 -1.26 -1.75 120.51 118.49 2jci n ALA 758 Ca -0.09 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.47 2jci n ALA 758 Cb 0.59 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2jci n ALA 758 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jci n ASN 759 N -1.08 0.90 -0.01 0.00 6.94 -1.26 -4.74 115.26 116.01 2jci n ASN 759 Ca 0.23 -0.74 -0.17 0.00 -0.02 0.00 0.00 54.58 53.88 2jci n ASN 759 Cb 0.82 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 38.10 2jci n ASN 759 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 2jci h LYS 760 N 0.00 0.17 -0.63 -3.83 -0.00 -1.96 -3.41 116.57 106.91 2jci h LYS 760 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 2jci h LYS 760 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 32.23 32.33 2jci h LYS 760 CO 0.00 1.12 0.00 -1.13 -0.00 0.00 0.00 179.45 179.44 2jci n SER 761 N -4.35 3.72 0.00 7.07 3.41 -1.26 -4.96 113.62 117.24 2jci n SER 761 Ca -0.12 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 2jci n SER 761 Cb 0.66 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2jci n SER 761 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jci n GLY 762 N 1.29 2.94 3.93 5.00 0.00 -1.26 -4.79 105.19 112.29 2jci n GLY 762 Ca 0.22 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2jci n GLY 762 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jci s ALA 763 N -2.00 3.96 0.80 4.61 0.00 -1.26 -4.89 121.76 122.97 2jci s ALA 763 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 2jci s ALA 763 Cb 0.00 -1.85 0.05 0.00 0.00 0.00 0.00 23.12 21.31 2jci s ALA 763 CO 0.00 0.66 0.29 -0.35 0.00 0.00 0.00 175.76 176.36 2jci n PRO 764 N -0.17 -0.02 -2.29 0.00 -0.04 -1.26 -4.77 135.00 126.45 2jci n PRO 764 Ca -0.06 -0.56 -0.29 0.00 -0.04 0.00 0.00 63.50 62.56 2jci n PRO 764 Cb 0.53 -0.26 0.01 0.00 -0.04 0.00 0.00 33.50 33.73 2jci n PRO 764 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jci s ALA 765 N -3.56 3.25 0.37 0.55 0.00 -1.26 -1.87 121.76 119.23 2jci s ALA 765 Ca 0.17 -0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 2jci s ALA 765 Cb -0.01 -2.79 -0.11 0.00 0.00 0.00 0.00 23.12 20.22 2jci s ALA 765 CO 0.12 -0.58 1.42 0.99 0.00 0.00 0.00 175.76 177.70 2jci s THR 766 N -2.97 2.30 0.32 0.00 2.01 -0.52 -4.67 115.64 112.10 2jci s THR 766 Ca 0.52 0.30 0.06 0.00 0.31 0.00 0.00 61.69 62.87 2jci s THR 766 Cb -0.11 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 2jci s THR 766 CO 0.49 0.07 0.25 -0.94 -0.69 0.00 0.00 174.62 173.80 2jci s SER 767 N -0.30 1.58 0.16 3.53 1.04 -1.26 -4.83 113.70 113.63 2jci s SER 767 Ca 0.52 -1.72 -0.11 0.00 0.48 0.00 0.00 55.95 55.12 2jci s SER 767 Cb -0.44 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.25 2jci s SER 767 CO 0.59 -1.03 1.62 0.22 0.98 0.00 0.00 173.24 175.61 2jci h TYR 768 N 2.17 1.03 -2.09 5.02 5.03 -1.95 -2.43 116.97 123.75 2jci h TYR 768 Ca -0.27 -0.18 -0.77 0.00 2.58 0.00 0.00 58.73 60.09 2jci h TYR 768 Cb 1.24 -0.27 -0.20 0.00 1.55 0.00 0.00 36.73 39.05 2jci h TYR 768 CO 1.56 0.94 1.47 0.54 -1.32 0.00 0.00 178.16 181.34 2jci n ARG 769 N -4.28 3.80 0.23 1.82 5.12 -1.26 -4.81 116.66 117.29 2jci n ARG 769 Ca 0.02 -3.93 0.16 0.00 -1.93 0.00 0.00 57.85 52.17 2jci n ARG 769 Cb 0.33 -2.80 0.68 0.00 -1.16 0.00 0.00 32.46 29.50 2jci n ARG 769 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2jci h PHE 770 N 5.96 0.00 -1.88 -1.55 -0.00 -1.77 -3.46 116.94 114.24 2jci h PHE 770 Ca 0.31 0.00 -0.53 0.00 -0.00 0.00 0.00 57.97 57.76 2jci h PHE 770 Cb 0.68 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 36.57 2jci h PHE 770 CO 1.12 0.00 -0.51 0.00 -0.00 0.00 0.00 178.31 178.93 2jci s ALA 771 N -3.61 3.61 -0.33 12.09 0.00 -1.26 -4.63 121.76 127.63 2jci s ALA 771 Ca 0.01 -1.76 -0.27 0.00 0.00 0.00 0.00 51.96 49.94 2jci s ALA 771 Cb 0.09 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.33 2jci s ALA 771 CO 0.47 0.03 1.00 0.42 0.00 0.00 0.00 175.76 177.68 2jci s ILE 772 N -2.38 4.56 0.00 0.00 -1.09 -0.48 -4.88 121.20 116.93 2jci s ILE 772 Ca 0.39 1.51 0.00 0.00 -2.23 0.00 0.00 60.65 60.32 2jci s ILE 772 Cb -0.04 -4.36 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 2jci s ILE 772 CO 0.24 -0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.08 2jci n GLY 773 N 4.07 -2.31 0.00 6.18 0.00 -1.26 -1.71 105.19 110.16 2jci n GLY 773 Ca 0.10 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2jci n GLY 773 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jci n GLY 774 N -0.39 2.73 3.97 -0.02 0.00 -1.26 -4.63 105.19 105.59 2jci n GLY 774 Ca 0.00 -1.54 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 2jci n GLY 774 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jci s SER 775 N 0.00 3.65 0.12 1.61 1.04 -1.26 -4.92 113.70 113.94 2jci s SER 775 Ca 0.00 -0.13 -0.12 0.00 0.48 0.00 0.00 55.95 56.18 2jci s SER 775 Cb 0.00 -0.04 -0.10 0.00 0.10 0.00 0.00 66.02 65.98 2jci s SER 775 CO 0.00 -2.35 1.39 0.44 0.98 0.00 0.00 173.24 173.70 2jci h ASP 776 N -1.11 0.98 -0.72 7.02 3.32 -2.00 -0.62 116.42 123.30 2jci h ASP 776 Ca -0.39 -0.55 -0.03 0.00 0.02 0.00 0.00 57.03 56.07 2jci h ASP 776 Cb 1.24 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 2jci h ASP 776 CO 0.37 1.35 0.32 0.00 -1.72 0.00 0.00 179.24 179.56 2jci h ALA 777 N 0.66 0.94 -0.30 3.45 0.00 -1.99 0.92 119.26 122.94 2jci h ALA 777 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.80 2jci h ALA 777 Cb 1.21 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2jci h ALA 777 CO 0.13 0.53 -0.07 -0.44 0.00 0.00 0.00 179.25 179.41 2jci h ASP 778 N 1.02 -0.26 -0.15 0.00 3.32 -1.90 -1.85 116.42 116.60 2jci h ASP 778 Ca 0.24 0.09 -0.15 0.00 0.02 0.00 0.00 57.03 57.24 2jci h ASP 778 Cb 0.17 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2jci h ASP 778 CO -0.02 -0.09 -0.42 1.88 -1.72 0.00 0.00 179.24 178.87 2jci h TYR 779 N 0.01 0.83 -0.30 4.55 0.05 -0.05 -1.64 116.97 120.42 2jci h TYR 779 Ca 0.14 -0.25 0.03 0.00 0.05 0.00 0.00 58.73 58.71 2jci h TYR 779 Cb 0.22 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 37.73 2jci h TYR 779 CO -0.28 0.99 -0.33 0.37 -1.05 0.00 0.00 178.16 177.86 2jci h GLN 780 N 0.56 -0.19 -0.39 4.88 5.75 -0.78 -1.09 115.11 123.85 2jci h GLN 780 Ca 0.04 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.63 2jci h GLN 780 Cb 0.96 0.04 -0.09 0.00 1.07 0.00 0.00 27.48 29.46 2jci h GLN 780 CO 0.09 -0.13 -0.32 -0.97 -2.65 0.00 0.00 178.83 174.85 2jci h ASN 781 N -0.20 -1.07 0.05 -0.69 -0.73 -0.86 -1.48 115.58 110.59 2jci h ASN 781 Ca 0.05 0.19 -0.00 0.00 1.87 0.00 0.00 56.30 58.41 2jci h ASN 781 Cb 0.33 0.50 0.00 0.00 0.27 0.00 0.00 38.32 39.43 2jci h ASN 781 CO -0.39 -0.32 -0.02 0.00 -0.37 0.00 0.00 177.43 176.33 2jci h ALA 782 N 0.75 -0.06 -0.74 1.57 0.00 -1.11 -2.74 119.26 116.94 2jci h ALA 782 Ca 0.17 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.06 2jci h ALA 782 Cb 0.54 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2jci h ALA 782 CO -0.53 -0.44 0.40 -1.49 0.00 0.00 0.00 179.25 177.19 2jci h TRP 783 N -0.25 0.73 -0.68 0.00 4.06 -0.94 -0.59 115.95 118.28 2jci h TRP 783 Ca -0.01 0.03 0.14 0.00 2.06 0.00 0.00 58.89 61.11 2jci h TRP 783 Cb 0.23 -0.22 -0.13 0.00 -1.00 0.00 0.00 29.16 28.04 2jci h TRP 783 CO -0.01 0.30 -0.17 0.45 -3.56 0.00 0.00 178.44 175.45 2jci n SER 784 N -4.80 -0.25 0.07 -3.49 2.88 -0.58 -0.21 113.62 107.24 2jci n SER 784 Ca 0.11 1.17 -0.18 0.00 -1.33 0.00 0.00 58.87 58.64 2jci n SER 784 Cb 0.24 -0.35 -0.09 0.00 -0.75 0.00 0.00 64.21 63.26 2jci n SER 784 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2jci h SER 785 N 0.00 0.74 0.48 -3.46 0.02 -1.04 -1.54 113.55 108.75 2jci h SER 785 Ca 0.32 -0.63 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 2jci h SER 785 Cb 0.49 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2jci h SER 785 CO -0.70 1.43 -0.23 0.40 -1.14 0.00 0.00 176.83 176.59 2jci h ILE 786 N 0.29 0.51 0.56 3.27 1.08 -0.51 -3.00 117.51 119.70 2jci h ILE 786 Ca -0.13 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 64.11 2jci h ILE 786 Cb 1.73 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 2jci h ILE 786 CO 0.20 0.04 -0.34 -0.37 -0.69 0.00 0.00 178.15 176.98 2jci h VAL 787 N -0.77 0.30 0.00 1.67 -1.51 -0.66 -2.38 116.25 112.90 2jci h VAL 787 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2jci h VAL 787 Cb 0.55 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 2jci h VAL 787 CO 0.11 0.00 0.02 0.61 -1.23 0.00 0.00 177.57 177.08 2jci n GLY 788 N -1.48 -0.04 0.10 5.19 0.00 -0.58 -0.09 105.19 108.28 2jci n GLY 788 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.91 2jci n GLY 788 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jci n SER 789 N -0.89 1.40 -0.62 1.61 2.88 -0.90 -5.06 113.62 112.04 2jci n SER 789 Ca 0.00 -1.29 0.13 0.00 -1.33 0.00 0.00 58.87 56.39 2jci n SER 789 Cb 0.02 -0.01 0.40 0.00 -0.75 0.00 0.00 64.21 63.88 2jci n SER 789 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99