#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbt h GLN 1588N 0.00 0.53 -0.41 2.61 5.75 -2.06 -3.05 115.11 118.48 3kbt h GLN 1588Ca 0.00 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3kbt h GLN 1588Cb 0.00 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 3kbt h GLN 1588CO 0.00 0.78 0.26 -0.92 -2.65 0.00 0.00 178.83 176.30 3kbt h TYR 1589N 0.46 0.52 -0.42 3.99 3.20 -2.01 -2.51 116.97 120.20 3kbt h TYR 1589Ca 0.06 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.00 3kbt h TYR 1589Cb 0.76 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 3kbt h TYR 1589CO 0.03 0.34 0.08 1.88 -1.64 0.00 0.00 178.16 178.85 3kbt h TYR 1590N 0.55 0.13 -0.10 -3.82 0.99 -1.97 0.90 116.97 113.66 3kbt h TYR 1590Ca 0.15 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.92 3kbt h TYR 1590Cb -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.68 3kbt h TYR 1590CO -0.04 0.01 0.01 -0.07 -0.00 0.00 0.00 178.16 178.07 3kbt h LEU 1591N 0.21 -0.01 -0.49 3.88 3.38 -1.53 -0.17 115.31 120.58 3kbt h LEU 1591Ca 0.20 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.23 3kbt h LEU 1591Cb 0.25 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3kbt h LEU 1591CO -0.27 0.01 0.25 0.44 0.09 0.00 0.00 178.44 178.96 3kbt h ASP 1592N 0.05 0.37 -0.52 -0.43 3.32 -1.02 0.35 116.42 118.55 3kbt h ASP 1592Ca 0.04 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3kbt h ASP 1592Cb 0.04 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3kbt h ASP 1592CO -0.07 0.26 0.26 0.00 -1.72 0.00 0.00 179.24 177.98 3kbt h ALA 1593N 1.26 0.66 -0.38 3.45 0.00 -0.64 -0.99 119.26 122.63 3kbt h ALA 1593Ca 0.21 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3kbt h ALA 1593Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kbt h ALA 1593CO -0.14 0.20 -0.08 -0.44 0.00 0.00 0.00 179.25 178.79 3kbt h ASP 1594N 0.69 0.62 -0.39 0.00 3.32 -0.63 -0.69 116.42 119.34 3kbt h ASP 1594Ca 0.18 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 3kbt h ASP 1594Cb 0.09 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3kbt h ASP 1594CO -0.03 0.75 -0.19 -0.08 -1.72 0.00 0.00 179.24 177.97 3kbt h GLU 1595N 0.60 0.82 -0.67 3.56 4.81 -0.72 -2.20 114.58 120.77 3kbt h GLU 1595Ca 0.11 -0.36 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 3kbt h GLU 1595Cb 0.49 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3kbt h GLU 1595CO 0.03 0.99 0.14 0.00 -0.73 0.00 0.00 179.01 179.43 3kbt h ALA 1596N 0.81 0.97 -0.35 2.92 0.00 -0.95 -2.07 119.26 120.58 3kbt h ALA 1596Ca 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3kbt h ALA 1596Cb 0.74 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3kbt h ALA 1596CO 0.06 0.65 0.10 0.93 0.00 0.00 0.00 179.25 180.99 3kbt h GLU 1597N 1.02 0.56 -0.22 0.00 4.39 -1.07 -2.23 114.58 117.03 3kbt h GLU 1597Ca 0.21 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 3kbt h GLU 1597Cb 0.40 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3kbt h GLU 1597CO 0.01 0.59 -0.19 0.00 -1.16 0.00 0.00 179.01 178.25 3kbt h ALA 1598N 0.94 1.26 0.05 3.43 0.00 -1.35 -0.82 119.26 122.78 3kbt h ALA 1598Ca 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kbt h ALA 1598Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kbt h ALA 1598CO -0.00 0.49 -0.03 2.35 0.00 0.00 0.00 179.25 182.06 3kbt h TRP 1599N 0.35 -0.07 -0.54 0.00 7.01 -1.28 -0.80 115.95 120.62 3kbt h TRP 1599Ca 0.06 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.08 3kbt h TRP 1599Cb 0.54 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.59 3kbt h TRP 1599CO 0.01 0.22 0.33 0.82 -2.79 0.00 0.00 178.44 177.03 3kbt h ILE 1600N -0.35 1.07 0.11 2.65 2.04 -1.27 -0.28 117.51 121.48 3kbt h ILE 1600Ca -0.01 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.64 3kbt h ILE 1600Cb 0.31 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3kbt h ILE 1600CO 0.01 0.12 -0.20 1.23 0.00 0.00 0.00 178.15 179.31 3kbt h GLY 1601N 0.66 -0.36 0.24 5.37 0.00 -1.10 -0.98 103.07 106.90 3kbt h GLY 1601Ca 0.21 0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.86 3kbt h GLY 1601CO -0.08 -0.18 -0.01 -2.09 0.00 0.00 0.00 176.54 174.17 3kbt h GLU 1602N -0.38 0.10 -0.40 4.80 4.57 -0.77 -0.76 114.58 121.74 3kbt h GLU 1602Ca 0.03 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3kbt h GLU 1602Cb 0.40 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3kbt h GLU 1602CO -0.11 0.07 0.06 1.96 -1.18 0.00 0.00 179.01 179.81 3kbt h GLN 1603N 0.10 0.67 -0.23 1.92 1.08 -0.79 0.15 115.11 118.01 3kbt h GLN 1603Ca 0.23 -0.18 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 3kbt h GLN 1603Cb 0.33 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3kbt h GLN 1603CO -0.38 0.72 -0.29 1.49 -0.95 0.00 0.00 178.83 179.41 3kbt h GLU 1604N 0.52 0.61 0.08 1.46 4.81 -0.84 -1.59 114.58 119.62 3kbt h GLU 1604Ca 0.12 -0.35 -0.30 0.00 -0.13 0.00 0.00 59.36 58.71 3kbt h GLU 1604Cb 0.38 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3kbt h GLU 1604CO 0.01 0.95 -1.58 -0.07 -0.73 0.00 0.00 179.01 177.59 3kbt h LEU 1605N 0.31 0.25 0.00 1.64 3.38 -1.18 -3.42 115.31 116.29 3kbt h LEU 1605Ca 0.03 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 3kbt h LEU 1605Cb 0.87 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3kbt h LEU 1605CO 0.07 1.34 -1.53 -1.22 0.09 0.00 0.00 178.44 177.19 3kbt n TYR 1606N -3.34 0.00 -0.06 1.13 4.01 0.02 -4.83 117.16 114.08 3kbt n TYR 1606Ca -0.17 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.53 3kbt n TYR 1606Cb 1.04 -0.38 -0.02 0.00 -0.31 0.00 0.00 39.34 39.67 3kbt n TYR 1606CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3kbt h VAL 1607N 0.00 0.07 -4.07 -0.72 2.07 -1.29 -3.46 116.25 108.85 3kbt h VAL 1607Ca -0.21 -1.07 -0.54 0.00 0.82 0.00 0.00 66.70 65.69 3kbt h VAL 1607Cb 1.46 0.16 0.13 0.00 -1.52 0.00 0.00 31.29 31.52 3kbt h VAL 1607CO 0.01 0.02 0.55 -0.63 0.02 0.00 0.00 177.57 177.54 3kbt s ILE 1608N -2.02 2.25 0.10 4.57 1.01 -0.62 -5.02 121.20 121.48 3kbt s ILE 1608Ca -0.10 0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.80 3kbt s ILE 1608Cb 0.01 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 3kbt s ILE 1608CO 0.17 -0.02 -0.20 -0.55 0.00 0.00 0.00 174.94 174.34 3kbt s SER 1609N -1.22 2.44 0.00 3.58 0.15 -1.26 -4.82 113.70 112.57 3kbt s SER 1609Ca 0.75 -0.68 0.19 0.00 0.70 0.00 0.00 55.95 56.91 3kbt s SER 1609Cb -0.37 -0.13 0.35 0.00 -1.71 0.00 0.00 66.02 64.17 3kbt s SER 1609CO 0.42 0.04 1.29 0.47 1.20 0.00 0.00 173.24 176.66 3kbt n ASP 1610N 1.09 3.15 -4.72 5.45 8.00 -1.26 -5.01 116.55 123.25 3kbt n ASP 1610Ca -0.20 -1.91 -0.43 0.00 0.71 0.00 0.00 54.79 52.97 3kbt n ASP 1610Cb 0.54 -0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 3kbt n ASP 1610CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3kbt n GLU 1611N 1.20 2.37 -3.74 -1.24 2.13 -1.26 -4.97 120.64 115.13 3kbt n GLU 1611Ca 0.16 0.84 -0.38 0.00 0.66 0.00 0.00 57.16 58.44 3kbt n GLU 1611Cb 0.53 -2.53 -0.12 0.00 0.27 0.00 0.00 31.44 29.58 3kbt n GLU 1611CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3kbt s ILE 1612N -0.44 3.98 0.28 6.31 1.01 -1.26 -5.06 121.20 126.02 3kbt s ILE 1612Ca 0.62 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 3kbt s ILE 1612Cb -0.55 -3.14 -0.12 0.00 0.01 0.00 0.00 42.46 38.66 3kbt s ILE 1612CO 0.54 -0.04 1.50 -0.81 0.00 0.00 0.00 174.94 176.13 3kbt n PRO 1613N 4.86 2.41 0.06 2.79 -0.04 -1.26 -4.92 135.00 138.91 3kbt n PRO 1613Ca -0.14 0.86 -0.06 0.00 -0.04 0.00 0.00 63.50 64.12 3kbt n PRO 1613Cb 0.47 -2.58 -0.10 0.00 -0.04 0.00 0.00 33.50 31.24 3kbt n PRO 1613CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3kbt h LYS 1614N 4.36 0.00 -3.96 0.54 1.57 -1.97 -3.47 116.57 113.64 3kbt h LYS 1614Ca -0.46 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.13 3kbt h LYS 1614Cb 1.25 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.47 3kbt h LYS 1614CO 0.76 0.87 -0.19 0.16 -0.57 0.00 0.00 179.45 180.48 3kbt s ASP 1615N -6.60 0.44 0.19 0.86 1.47 -1.26 -5.05 116.67 106.73 3kbt s ASP 1615Ca 0.01 -1.27 -0.12 0.00 1.18 0.00 0.00 52.55 52.35 3kbt s ASP 1615Cb 0.09 0.61 0.22 0.00 -0.34 0.00 0.00 42.92 43.51 3kbt s ASP 1615CO 0.81 -1.21 1.70 -0.08 0.68 0.00 0.00 175.17 177.07 3kbt h GLU 1616N 2.21 0.18 0.50 2.11 4.81 -1.91 -0.42 114.58 122.05 3kbt h GLU 1616Ca -0.28 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 3kbt h GLU 1616Cb 1.24 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 3kbt h GLU 1616CO 0.39 0.12 -0.49 0.93 -0.73 0.00 0.00 179.01 179.23 3kbt h GLU 1617N 0.18 -0.95 -0.90 1.92 3.07 -1.99 -0.35 114.58 115.56 3kbt h GLU 1617Ca 0.27 0.06 0.17 0.00 -0.50 0.00 0.00 59.36 59.37 3kbt h GLU 1617Cb 0.40 0.22 -0.07 0.00 -0.84 0.00 0.00 28.75 28.45 3kbt h GLU 1617CO -0.40 -0.63 0.59 0.78 -1.40 0.00 0.00 179.01 177.95 3kbt h GLY 1618N -0.99 1.13 0.76 -3.84 0.00 -1.87 -1.06 103.07 97.19 3kbt h GLY 1618Ca -0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3kbt h GLY 1618CO -0.06 0.03 -0.05 0.00 0.00 0.00 0.00 176.54 176.47 3kbt h ALA 1619N 1.61 -0.13 -0.58 3.60 0.00 -0.58 -1.07 119.26 122.11 3kbt h ALA 1619Ca 0.47 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.29 3kbt h ALA 1619Cb 0.93 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3kbt h ALA 1619CO -0.21 -0.45 0.33 0.82 0.00 0.00 0.00 179.25 179.74 3kbt h ILE 1620N -0.37 1.01 0.25 0.00 2.04 0.02 0.28 117.51 120.74 3kbt h ILE 1620Ca -0.01 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3kbt h ILE 1620Cb 0.31 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3kbt h ILE 1620CO 0.02 0.12 -0.25 0.58 0.00 0.00 0.00 178.15 178.62 3kbt h VAL 1621N 0.64 0.46 -0.92 1.67 2.07 -1.18 0.19 116.25 119.19 3kbt h VAL 1621Ca 0.25 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.81 3kbt h VAL 1621Cb 0.09 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 3kbt h VAL 1621CO -0.14 0.00 0.60 0.24 0.02 0.00 0.00 177.57 178.29 3kbt h MET 1622N -0.53 1.09 -0.14 1.57 2.86 -0.64 0.14 114.93 119.28 3kbt h MET 1622Ca -0.01 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3kbt h MET 1622Cb 0.50 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 3kbt h MET 1622CO -0.06 0.72 -0.10 1.25 1.06 0.00 0.00 176.91 179.78 3kbt h LEU 1623N 1.12 0.32 -0.16 1.22 5.85 -0.24 0.24 115.31 123.66 3kbt h LEU 1623Ca 0.37 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3kbt h LEU 1623Cb 0.07 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3kbt h LEU 1623CO -0.12 0.71 -0.00 0.50 -0.34 0.00 0.00 178.44 179.18 3kbt h LYS 1624N -0.06 0.05 -0.25 1.25 3.64 -0.41 0.14 116.57 120.93 3kbt h LYS 1624Ca 0.03 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3kbt h LYS 1624Cb 0.60 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 3kbt h LYS 1624CO 0.03 0.03 0.00 -0.09 -2.27 0.00 0.00 179.45 177.15 3kbt h ARG 1625N 0.05 0.08 -0.59 1.90 2.43 -0.71 -2.85 114.38 114.70 3kbt h ARG 1625Ca 0.08 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 3kbt h ARG 1625Cb 0.09 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 3kbt h ARG 1625CO -0.13 0.05 0.30 1.25 -1.51 0.00 0.00 179.97 179.93 3kbt h HIS 1626N 0.08 0.55 -0.89 2.20 2.76 -0.34 -2.49 115.15 117.03 3kbt h HIS 1626Ca 0.12 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3kbt h HIS 1626Cb 0.15 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 28.91 3kbt h HIS 1626CO -0.20 0.25 0.52 -0.07 -1.30 0.00 0.00 177.93 177.14 3kbt h LEU 1627N 0.57 1.07 -0.58 0.26 3.38 -0.76 0.12 115.31 119.38 3kbt h LEU 1627Ca 0.27 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3kbt h LEU 1627Cb 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3kbt h LEU 1627CO -0.19 0.84 0.24 0.03 0.09 0.00 0.00 178.44 179.44 3kbt h ARG 1628N 1.23 0.86 -0.62 1.13 3.08 -1.34 -0.68 114.38 118.05 3kbt h ARG 1628Ca 0.32 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3kbt h ARG 1628Cb -0.03 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3kbt h ARG 1628CO -0.06 0.74 0.32 1.96 -1.07 0.00 0.00 179.97 181.86 3kbt h GLN 1629N 0.80 0.88 -0.48 0.04 4.20 -0.89 -1.70 115.11 117.95 3kbt h GLN 1629Ca 0.19 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 3kbt h GLN 1629Cb 0.19 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3kbt h GLN 1629CO -0.02 0.69 -0.08 0.37 -0.67 0.00 0.00 178.83 179.12 3kbt h GLN 1630N 0.84 0.86 -0.20 1.46 4.15 -0.57 -1.63 115.11 120.03 3kbt h GLN 1630Ca 0.21 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3kbt h GLN 1630Cb 0.08 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3kbt h GLN 1630CO -0.03 0.91 0.07 0.00 -1.93 0.00 0.00 178.83 177.85 3kbt h ARG 1631N 0.78 0.27 -0.48 1.69 3.08 -0.41 -0.39 114.38 118.94 3kbt h ARG 1631Ca 0.13 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 3kbt h ARG 1631Cb 0.58 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3kbt h ARG 1631CO 0.04 0.24 0.02 0.00 -1.07 0.00 0.00 179.97 179.19 3kbt h ALA 1632N 1.80 0.64 0.14 0.04 0.00 -0.45 -2.16 119.26 119.27 3kbt h ALA 1632Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3kbt h ALA 1632Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kbt h ALA 1632CO -0.01 0.43 -0.07 0.28 0.00 0.00 0.00 179.25 179.88 3kbt h VAL 1633N 0.69 0.93 -0.80 0.00 2.07 -0.64 -1.37 116.25 117.12 3kbt h VAL 1633Ca 0.14 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.49 3kbt h VAL 1633Cb 0.48 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3kbt h VAL 1633CO 0.02 0.06 0.46 -0.33 0.02 0.00 0.00 177.57 177.80 3kbt h GLU 1634N -0.31 0.75 -0.95 1.57 5.08 -1.16 -2.03 114.58 117.52 3kbt h GLU 1634Ca -0.02 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3kbt h GLU 1634Cb 0.25 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3kbt h GLU 1634CO 0.03 0.49 0.62 0.22 -1.00 0.00 0.00 179.01 179.38 3kbt h ASP 1635N 0.77 1.06 0.31 1.42 1.82 -1.22 -1.29 116.42 119.29 3kbt h ASP 1635Ca 0.39 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 57.00 3kbt h ASP 1635Cb 0.35 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.10 3kbt h ASP 1635CO -0.24 0.75 -0.04 0.22 -1.61 0.00 0.00 179.24 178.31 3kbt h TYR 1636N 1.24 0.00 -1.03 0.28 3.20 -0.50 -2.96 116.97 117.21 3kbt h TYR 1636Ca 0.36 0.00 0.29 0.00 3.14 0.00 0.00 58.73 62.53 3kbt h TYR 1636Cb -0.07 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 38.07 3kbt h TYR 1636CO -0.01 0.04 0.61 0.78 -1.64 0.00 0.00 178.16 177.94 3kbt h GLY 1637N 0.66 1.85 0.46 1.82 0.00 -1.11 0.46 103.07 107.21 3kbt h GLY 1637Ca -0.00 -0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.16 3kbt h GLY 1637CO 0.01 -0.34 0.29 3.21 0.00 0.00 0.00 176.54 179.70 3kbt h ARG 1638N 0.42 0.49 -0.83 4.80 3.08 -1.70 -0.77 114.38 119.87 3kbt h ARG 1638Ca 0.69 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.74 3kbt h ARG 1638Cb 1.54 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.43 3kbt h ARG 1638CO -0.50 0.33 0.53 -0.91 -1.07 0.00 0.00 179.97 178.34 3kbt h ASN 1639N 0.51 0.87 -0.06 7.04 2.35 -0.29 -1.85 115.58 124.16 3kbt h ASN 1639Ca 0.32 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 3kbt h ASN 1639Cb 0.35 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 3kbt h ASN 1639CO -0.27 0.60 -0.04 0.40 -1.65 0.00 0.00 177.43 176.47 3kbt h ILE 1640N 1.03 1.35 -0.40 2.81 1.08 -1.16 -2.41 117.51 119.81 3kbt h ILE 1640Ca 0.33 -1.10 0.05 0.00 -0.39 0.00 0.00 64.86 63.76 3kbt h ILE 1640Cb 0.02 1.97 -0.05 0.00 -3.07 0.00 0.00 36.82 35.69 3kbt h ILE 1640CO -0.12 0.30 0.12 0.11 -0.69 0.00 0.00 178.15 177.87 3kbt h LYS 1641N -0.29 0.26 -0.87 2.37 1.57 -1.06 -0.86 116.57 117.70 3kbt h LYS 1641Ca 0.01 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3kbt h LYS 1641Cb 0.50 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 3kbt h LYS 1641CO 0.01 0.17 0.55 0.37 -0.57 0.00 0.00 179.45 179.99 3kbt h GLN 1642N 0.27 1.03 -0.70 3.15 4.15 -1.37 0.03 115.11 121.67 3kbt h GLN 1642Ca 0.19 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 3kbt h GLN 1642Cb 0.19 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 3kbt h GLN 1642CO -0.21 0.68 0.29 -0.07 -1.93 0.00 0.00 178.83 177.59 3kbt h LEU 1643N 1.06 0.96 -0.31 -2.39 3.38 -0.77 -1.87 115.31 115.37 3kbt h LEU 1643Ca 0.35 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3kbt h LEU 1643Cb 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3kbt h LEU 1643CO -0.13 0.86 0.18 0.00 0.09 0.00 0.00 178.44 179.45 3kbt h ALA 1644N 1.13 0.40 -0.93 1.53 0.00 -0.57 0.13 119.26 120.95 3kbt h ALA 1644Ca 0.23 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.24 3kbt h ALA 1644Cb 0.20 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 3kbt h ALA 1644CO -0.02 -0.10 0.54 1.03 0.00 0.00 0.00 179.25 180.70 3kbt h SER 1645N 0.40 0.73 -0.01 0.00 0.87 -0.76 0.29 113.55 115.06 3kbt h SER 1645Ca 0.11 0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 60.53 3kbt h SER 1645Cb 0.02 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3kbt h SER 1645CO -0.02 0.33 -0.82 0.03 -0.53 0.00 0.00 176.83 175.81 3kbt h ARG 1646N 0.78 0.68 -0.45 2.24 3.08 -0.78 -1.74 114.38 118.19 3kbt h ARG 1646Ca 0.50 -0.59 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 3kbt h ARG 1646Cb 0.65 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 3kbt h ARG 1646CO -0.33 1.20 0.02 0.00 -1.07 0.00 0.00 179.97 179.79 3kbt h ALA 1647N 0.62 1.19 -0.36 0.04 0.00 0.11 -0.69 119.26 120.17 3kbt h ALA 1647Ca -0.06 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 3kbt h ALA 1647Cb 1.44 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3kbt h ALA 1647CO 0.16 0.53 -0.42 0.37 0.00 0.00 0.00 179.25 179.90 3kbt h GLN 1648N 0.68 0.92 -0.34 0.00 5.75 -0.43 -1.36 115.11 120.32 3kbt h GLN 1648Ca 0.14 -0.51 -0.05 0.00 -0.15 0.00 0.00 58.65 58.08 3kbt h GLN 1648Cb 0.40 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 3kbt h GLN 1648CO 0.01 1.16 0.03 0.78 -2.65 0.00 0.00 178.83 178.17 3kbt h GLY 1649N 0.73 0.63 1.37 2.39 0.00 -1.19 -0.53 103.07 106.47 3kbt h GLY 1649Ca 0.05 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 3kbt h GLY 1649CO 0.10 0.40 0.06 1.41 0.00 0.00 0.00 176.54 178.51 3kbt h LEU 1650N 0.40 0.74 0.41 3.11 3.38 -1.15 -1.87 115.31 120.33 3kbt h LEU 1650Ca 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3kbt h LEU 1650Cb 0.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kbt h LEU 1650CO 0.01 0.77 -0.20 0.25 0.09 0.00 0.00 178.44 179.37 3kbt h LEU 1651N 0.75 -0.46 -2.62 1.67 5.85 -1.15 -2.66 115.31 116.69 3kbt h LEU 1651Ca 0.16 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3kbt h LEU 1651Cb 0.37 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3kbt h LEU 1651CO 0.01 -0.06 -0.00 0.77 -0.34 0.00 0.00 178.44 178.82 3kbt h SER 1652N -0.96 0.00 0.68 1.25 4.64 -1.08 0.11 113.55 118.19 3kbt h SER 1652Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3kbt h SER 1652Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3kbt h SER 1652CO 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 3kbt n ALA 1653N -2.24 2.08 -2.52 5.18 0.00 -0.71 -4.93 120.51 117.38 3kbt n ALA 1653Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 3kbt n ALA 1653Cb 0.08 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.19 3kbt n ALA 1653CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbt n GLY 1654N 0.80 0.38 3.77 0.00 0.00 0.39 -5.03 105.19 105.51 3kbt n GLY 1654Ca 0.07 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 3kbt n GLY 1654CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kbt s HIS 1655N -3.08 2.98 0.28 1.61 5.65 -1.00 -4.94 115.29 116.79 3kbt s HIS 1655Ca 0.06 1.46 0.02 0.00 0.25 0.00 0.00 55.06 56.85 3kbt s HIS 1655Cb -0.03 -3.60 0.68 0.00 -1.18 0.00 0.00 32.58 28.46 3kbt s HIS 1655CO 0.18 -1.77 1.69 -1.35 -0.65 0.00 0.00 174.74 172.84 3kbt h PRO 1656N 2.96 0.37 -0.47 2.88 0.11 -1.96 -1.51 132.00 134.37 3kbt h PRO 1656Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kbt h PRO 1656Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kbt h PRO 1656CO 0.64 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 179.06 3kbt n GLU 1657N -5.07 2.10 -0.43 1.05 4.71 -1.26 -4.66 120.64 117.08 3kbt n GLU 1657Ca 0.21 -1.70 0.38 0.00 -0.01 0.00 0.00 57.16 56.03 3kbt n GLU 1657Cb 0.62 -1.37 0.65 0.00 -1.01 0.00 0.00 31.44 30.33 3kbt n GLU 1657CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3kbt h GLY 1658N 4.96 1.58 0.90 0.62 0.00 -1.59 0.81 103.07 110.36 3kbt h GLY 1658Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 3kbt h GLY 1658CO 0.00 -0.54 -0.46 0.83 0.00 0.00 0.00 176.54 176.37 3kbt h GLU 1659N 0.02 0.56 -0.33 4.80 4.39 -1.84 -2.49 114.58 119.70 3kbt h GLU 1659Ca 0.86 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 60.14 3kbt h GLU 1659Cb 2.65 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 31.36 3kbt h GLU 1659CO -0.53 1.03 0.18 1.96 -1.16 0.00 0.00 179.01 180.49 3kbt h GLN 1660N 0.20 0.47 -0.10 2.33 4.20 -1.26 -2.76 115.11 118.19 3kbt h GLN 1660Ca -0.02 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 3kbt h GLN 1660Cb 1.08 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 3kbt h GLN 1660CO 0.10 0.41 0.06 0.82 -0.67 0.00 0.00 178.83 179.54 3kbt h ILE 1661N 0.41 1.07 0.00 2.54 2.04 -1.27 -2.12 117.51 120.18 3kbt h ILE 1661Ca 0.12 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 3kbt h ILE 1661Cb 0.08 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3kbt h ILE 1661CO -0.02 0.06 -0.14 -0.29 0.00 0.00 0.00 178.15 177.77 3kbt h ILE 1662N 0.09 0.69 -0.02 -0.67 6.09 -1.47 -1.92 117.51 120.30 3kbt h ILE 1662Ca 0.04 -0.56 -0.02 0.00 -1.37 0.00 0.00 64.86 62.95 3kbt h ILE 1662Cb 0.05 1.35 0.00 0.00 0.47 0.00 0.00 36.82 38.68 3kbt h ILE 1662CO -0.01 0.13 -0.06 0.03 -3.07 0.00 0.00 178.15 175.17 3kbt h ARG 1663N 0.00 0.08 -0.99 2.19 3.08 -1.32 -2.54 114.38 114.87 3kbt h ARG 1663Ca -0.00 -0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.09 3kbt h ARG 1663Cb 0.33 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.32 3kbt h ARG 1663CO 0.02 0.68 0.63 -0.07 -1.07 0.00 0.00 179.97 180.15 3kbt h LEU 1664N -0.50 0.95 -0.74 3.04 3.38 -1.00 0.10 115.31 120.54 3kbt h LEU 1664Ca -0.00 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3kbt h LEU 1664Cb 0.68 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3kbt h LEU 1664CO 0.01 0.54 0.32 -0.61 0.09 0.00 0.00 178.44 178.79 3kbt h GLN 1665N 1.04 1.09 -0.59 1.13 5.75 -1.40 0.49 115.11 122.61 3kbt h GLN 1665Ca 0.47 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 3kbt h GLN 1665Cb 0.39 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 3kbt h GLN 1665CO -0.24 0.88 0.30 0.78 -2.65 0.00 0.00 178.83 177.90 3kbt h GLY 1666N 1.05 0.89 1.00 2.39 0.00 -0.78 0.12 103.07 107.75 3kbt h GLY 1666Ca 0.25 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3kbt h GLY 1666CO -0.02 0.41 0.30 1.46 0.00 0.00 0.00 176.54 178.68 3kbt h GLN 1667N 0.80 0.59 -0.16 4.80 4.20 -0.57 0.05 115.11 124.83 3kbt h GLN 1667Ca 0.20 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 3kbt h GLN 1667Cb 0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3kbt h GLN 1667CO -0.03 0.40 0.02 0.28 -0.67 0.00 0.00 178.83 178.83 3kbt h VAL 1668N 0.61 1.23 -0.98 -0.54 2.07 -0.61 -0.72 116.25 117.31 3kbt h VAL 1668Ca 0.16 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 67.05 3kbt h VAL 1668Cb -0.07 1.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 3kbt h VAL 1668CO -0.04 0.22 0.61 0.44 0.02 0.00 0.00 177.57 178.83 3kbt h ASP 1669N 0.04 0.94 0.35 0.57 3.45 -0.64 0.35 116.42 121.48 3kbt h ASP 1669Ca 0.05 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 3kbt h ASP 1669Cb 0.31 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3kbt h ASP 1669CO 0.00 0.55 -0.17 0.50 -1.57 0.00 0.00 179.24 178.55 3kbt h LYS 1670N 1.04 -0.46 -0.81 3.56 3.64 -0.76 -1.90 116.57 120.88 3kbt h LYS 1670Ca 0.45 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.90 3kbt h LYS 1670Cb 0.33 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 3kbt h LYS 1670CO -0.22 -0.16 0.53 0.45 -2.27 0.00 0.00 179.45 177.78 3kbt h HIS 1671N -0.74 0.96 -0.46 1.91 3.86 -0.74 -0.75 115.15 119.19 3kbt h HIS 1671Ca -0.05 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 3kbt h HIS 1671Cb 0.51 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 3kbt h HIS 1671CO 0.01 0.55 0.07 -0.92 0.86 0.00 0.00 177.93 178.50 3kbt h TYR 1672N 0.99 0.81 -0.24 2.45 3.20 -0.96 -1.54 116.97 121.68 3kbt h TYR 1672Ca 0.33 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 3kbt h TYR 1672Cb 0.06 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3kbt h TYR 1672CO -0.00 0.76 0.02 0.00 -1.64 0.00 0.00 178.16 177.30 3kbt h ALA 1673N 0.95 1.60 -0.22 1.82 0.00 -0.48 -2.04 119.26 120.89 3kbt h ALA 1673Ca 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3kbt h ALA 1673Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kbt h ALA 1673CO 0.01 0.30 0.04 0.78 0.00 0.00 0.00 179.25 180.38 3kbt h GLY 1674N 0.61 0.39 0.93 0.00 0.00 -0.64 -2.55 103.07 101.82 3kbt h GLY 1674Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3kbt h GLY 1674CO 0.00 0.24 0.15 -2.00 0.00 0.00 0.00 176.54 174.93 3kbt h LEU 1675N 0.17 0.41 -1.55 3.11 5.85 -0.97 -0.68 115.31 121.66 3kbt h LEU 1675Ca 0.07 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3kbt h LEU 1675Cb 0.32 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3kbt h LEU 1675CO 0.00 0.43 0.36 0.11 -0.34 0.00 0.00 178.44 179.00 3kbt h LYS 1676N 0.37 0.57 -0.14 1.25 1.57 -1.34 0.65 116.57 119.49 3kbt h LYS 1676Ca 0.11 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3kbt h LYS 1676Cb 0.13 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kbt h LYS 1676CO -0.01 0.37 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.56 3kbt h ASP 1677N 0.58 0.46 -0.98 0.86 3.32 -0.97 -0.88 116.42 118.80 3kbt h ASP 1677Ca 0.22 -0.54 0.01 0.00 0.02 0.00 0.00 57.03 56.74 3kbt h ASP 1677Cb 0.16 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 3kbt h ASP 1677CO -0.06 0.91 0.64 0.58 -1.72 0.00 0.00 179.24 179.59 3kbt h VAL 1678N 0.02 1.26 0.02 -1.35 2.07 -0.85 0.69 116.25 118.11 3kbt h VAL 1678Ca 0.01 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3kbt h VAL 1678Cb 0.82 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3kbt h VAL 1678CO 0.05 0.25 -0.01 0.00 0.02 0.00 0.00 177.57 177.89 3kbt h ALA 1679N 1.36 -0.02 -0.66 1.67 0.00 -0.83 -2.21 119.26 118.57 3kbt h ALA 1679Ca 0.36 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3kbt h ALA 1679Cb -0.13 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3kbt h ALA 1679CO -0.07 -0.38 0.43 1.49 0.00 0.00 0.00 179.25 180.72 3kbt h GLU 1680N -0.29 0.73 -0.39 0.00 4.57 -0.93 0.79 114.58 119.05 3kbt h GLU 1680Ca -0.00 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 3kbt h GLU 1680Cb 0.28 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3kbt h GLU 1680CO 0.00 0.48 0.00 1.49 -1.18 0.00 0.00 179.01 179.81 3kbt h GLU 1681N 0.75 0.68 -0.44 1.92 4.57 -0.73 -0.51 114.58 120.82 3kbt h GLU 1681Ca 0.27 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 3kbt h GLU 1681Cb 0.12 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3kbt h GLU 1681CO -0.08 0.78 0.25 -0.09 -1.18 0.00 0.00 179.01 178.69 3kbt h ARG 1682N 0.51 0.61 0.24 1.92 9.65 -0.75 0.92 114.38 127.48 3kbt h ARG 1682Ca 0.11 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 3kbt h ARG 1682Cb 0.47 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 3kbt h ARG 1682CO 0.02 0.48 -0.32 -0.22 2.80 0.00 0.00 179.97 182.73 3kbt h LYS 1683N 0.58 -0.60 -0.76 0.20 3.64 -0.68 0.57 116.57 119.52 3kbt h LYS 1683Ca 0.16 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.71 3kbt h LYS 1683Cb 0.04 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 31.91 3kbt h LYS 1683CO -0.03 -0.40 0.33 -0.09 -2.27 0.00 0.00 179.45 177.00 3kbt h ARG 1684N -0.62 0.49 -0.41 1.90 2.43 -0.80 -0.06 114.38 117.30 3kbt h ARG 1684Ca 0.00 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3kbt h ARG 1684Cb 0.59 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3kbt h ARG 1684CO -0.11 0.32 0.08 0.87 -1.51 0.00 0.00 179.97 179.62 3kbt h LYS 1685N 0.50 0.67 -0.15 0.20 1.57 -0.19 -2.29 116.57 116.88 3kbt h LYS 1685Ca 0.41 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3kbt h LYS 1685Cb 0.57 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3kbt h LYS 1685CO -0.37 0.70 0.08 -0.07 -0.57 0.00 0.00 179.45 179.23 3kbt h LEU 1686N 0.53 0.19 -0.56 2.94 3.38 -0.03 -1.08 115.31 120.68 3kbt h LEU 1686Ca 0.13 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.13 3kbt h LEU 1686Cb 0.35 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 3kbt h LEU 1686CO 0.01 0.22 0.00 -0.33 0.09 0.00 0.00 178.44 178.43 3kbt h GLU 1687N 0.15 0.12 0.07 1.13 5.08 -1.06 -0.40 114.58 119.66 3kbt h GLU 1687Ca 0.05 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3kbt h GLU 1687Cb 0.07 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3kbt h GLU 1687CO -0.01 0.08 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.13 3kbt h ASN 1688N 0.12 -0.10 -0.73 1.42 -0.26 -0.82 -0.43 115.58 114.78 3kbt h ASN 1688Ca 0.29 0.01 0.02 0.00 -0.56 0.00 0.00 56.30 56.06 3kbt h ASN 1688Cb 0.45 0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.69 3kbt h ASN 1688CO -0.47 -0.07 0.47 0.24 -1.06 0.00 0.00 177.43 176.54 3kbt h MET 1689N -0.10 0.90 0.70 0.81 2.86 -0.87 0.16 114.93 119.37 3kbt h MET 1689Ca -0.01 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3kbt h MET 1689Cb 0.09 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 3kbt h MET 1689CO 0.01 0.60 -0.39 -0.92 1.06 0.00 0.00 176.91 177.26 3kbt h TYR 1690N 0.93 -1.04 -0.86 -0.22 3.20 -0.81 -2.04 116.97 116.13 3kbt h TYR 1690Ca 0.29 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.24 3kbt h TYR 1690Cb -0.02 0.36 -0.06 0.00 1.54 0.00 0.00 36.73 38.55 3kbt h TYR 1690CO -0.03 -0.61 0.56 0.45 -1.64 0.00 0.00 178.16 176.88 3kbt h HIS 1691N -1.01 0.89 -0.78 -3.82 3.86 -0.87 -1.11 115.15 112.31 3kbt h HIS 1691Ca -0.09 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3kbt h HIS 1691Cb 0.81 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 3kbt h HIS 1691CO -0.07 0.41 0.46 1.25 0.86 0.00 0.00 177.93 180.84 3kbt h LEU 1692N 0.83 0.96 -0.86 2.43 5.85 -0.31 0.45 115.31 124.67 3kbt h LEU 1692Ca 0.40 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 3kbt h LEU 1692Cb 0.42 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3kbt h LEU 1692CO -0.16 0.75 0.49 -0.26 -0.34 0.00 0.00 178.44 178.92 3kbt h PHE 1693N 1.08 1.15 0.44 1.25 0.04 -0.60 -1.16 116.94 119.15 3kbt h PHE 1693Ca 0.28 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.01 3kbt h PHE 1693Cb -0.01 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 37.77 3kbt h PHE 1693CO -0.00 0.79 -0.21 0.37 -0.60 0.00 0.00 178.31 178.65 3kbt h GLN 1694N 1.18 -0.57 -0.52 1.51 4.15 -0.46 -2.15 115.11 118.26 3kbt h GLN 1694Ca 0.30 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.81 3kbt h GLN 1694Cb -0.00 0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 3kbt h GLN 1694CO -0.05 -0.30 0.25 1.25 -1.93 0.00 0.00 178.83 178.05 3kbt h LEU 1695N -0.77 0.35 -1.33 -2.39 5.85 -0.06 0.31 115.31 117.26 3kbt h LEU 1695Ca -0.06 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kbt h LEU 1695Cb 0.54 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3kbt h LEU 1695CO 0.10 0.24 0.45 0.50 -0.34 0.00 0.00 178.44 179.39 3kbt h LYS 1696N 0.49 0.90 -0.10 1.25 3.64 -1.17 0.17 116.57 121.75 3kbt h LYS 1696Ca 0.23 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3kbt h LYS 1696Cb 0.17 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3kbt h LYS 1696CO -0.18 0.60 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.32 3kbt h ARG 1697N 0.93 0.30 -0.30 1.90 2.43 -0.50 -1.25 114.38 117.89 3kbt h ARG 1697Ca 0.25 -0.19 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 3kbt h ARG 1697Cb -0.11 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3kbt h ARG 1697CO -0.05 0.79 -0.23 0.93 -1.51 0.00 0.00 179.97 179.89 3kbt h GLU 1698N -0.15 0.58 -0.29 0.20 5.08 -0.01 -1.75 114.58 118.24 3kbt h GLU 1698Ca 0.00 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 57.99 3kbt h GLU 1698Cb 0.78 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 3kbt h GLU 1698CO 0.04 0.77 -0.42 1.15 -1.00 0.00 0.00 179.01 179.54 3kbt h THR 1699N 0.51 1.29 -0.11 1.13 2.02 -0.70 -2.69 112.91 114.37 3kbt h THR 1699Ca 0.08 -1.61 0.01 0.00 0.77 0.00 0.00 66.41 65.66 3kbt h THR 1699Cb 0.68 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 3kbt h THR 1699CO 0.05 0.52 0.01 0.44 0.37 0.00 0.00 175.52 176.91 3kbt h ASP 1700N 0.55 -0.02 -0.76 4.18 3.32 -0.97 0.11 116.42 122.83 3kbt h ASP 1700Ca 0.03 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.16 3kbt h ASP 1700Cb 1.02 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.54 3kbt h ASP 1700CO 0.10 0.01 0.45 0.44 -1.72 0.00 0.00 179.24 178.52 3kbt h ASP 1701N 0.05 0.68 -0.05 6.45 3.32 -1.35 -1.40 116.42 124.12 3kbt h ASP 1701Ca 0.05 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 3kbt h ASP 1701Cb 0.05 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3kbt h ASP 1701CO -0.07 0.44 -0.41 0.25 -1.72 0.00 0.00 179.24 177.72 3kbt h LEU 1702N 0.82 0.61 -0.38 1.55 5.85 -1.21 -1.36 115.31 121.18 3kbt h LEU 1702Ca 0.34 -0.27 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 3kbt h LEU 1702Cb 0.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3kbt h LEU 1702CO -0.18 0.95 -0.35 -0.33 -0.34 0.00 0.00 178.44 178.19 3kbt h GLU 1703N 0.47 0.91 -0.57 1.25 5.08 -0.15 -1.37 114.58 120.20 3kbt h GLU 1703Ca 0.04 -0.47 0.02 0.00 -1.00 0.00 0.00 59.36 57.94 3kbt h GLU 1703Cb 0.92 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 3kbt h GLU 1703CO 0.08 1.12 0.37 0.37 -1.00 0.00 0.00 179.01 179.95 3kbt h GLN 1704N 0.73 0.72 -0.84 2.33 4.15 -1.17 0.39 115.11 121.42 3kbt h GLN 1704Ca 0.07 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.45 3kbt h GLN 1704Cb 0.94 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.43 3kbt h GLN 1704CO 0.09 0.47 0.54 2.35 -1.93 0.00 0.00 178.83 180.36 3kbt h TRP 1705N 0.74 1.06 0.41 3.99 7.01 -1.15 0.12 115.95 128.12 3kbt h TRP 1705Ca 0.22 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.22 3kbt h TRP 1705Cb -0.04 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 26.67 3kbt h TRP 1705CO -0.04 0.68 -0.20 0.82 -2.79 0.00 0.00 178.44 176.91 3kbt h ILE 1706N 1.14 0.60 -0.95 2.65 2.04 -0.52 -0.62 117.51 121.85 3kbt h ILE 1706Ca 0.30 -0.15 0.27 0.00 1.00 0.00 0.00 64.86 66.29 3kbt h ILE 1706Cb -0.11 0.68 -0.14 0.00 -0.74 0.00 0.00 36.82 36.50 3kbt h ILE 1706CO -0.06 0.03 0.44 0.28 0.00 0.00 0.00 178.15 178.84 3kbt h SER 1707N -0.63 0.35 -0.38 1.72 0.02 -0.49 -0.55 113.55 113.59 3kbt h SER 1707Ca -0.06 0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3kbt h SER 1707Cb 0.47 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 3kbt h SER 1707CO 0.09 -0.09 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.27 3kbt h GLU 1708N 0.33 0.74 -0.75 3.45 5.08 -0.42 -2.86 114.58 120.15 3kbt h GLU 1708Ca 0.64 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 3kbt h GLU 1708Cb 1.36 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 3kbt h GLU 1708CO -0.60 0.88 0.38 0.87 -1.00 0.00 0.00 179.01 179.54 3kbt h LYS 1709N 0.54 1.06 -0.98 2.33 1.79 0.33 -2.60 116.57 119.04 3kbt h LYS 1709Ca 0.10 -0.14 0.07 0.00 -2.18 0.00 0.00 60.65 58.50 3kbt h LYS 1709Cb 0.61 -0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 30.99 3kbt h LYS 1709CO 0.04 0.80 0.64 0.93 -1.08 0.00 0.00 179.45 180.78 3kbt h GLU 1710N 1.06 1.11 -0.52 3.15 5.08 -0.96 -2.10 114.58 121.40 3kbt h GLU 1710Ca 0.26 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3kbt h GLU 1710Cb 0.08 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3kbt h GLU 1710CO -0.04 0.74 0.34 -0.07 -1.00 0.00 0.00 179.01 178.98 3kbt h LEU 1711N 1.15 0.60 -0.84 1.33 3.38 -1.28 -0.73 115.31 118.92 3kbt h LEU 1711Ca 0.42 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.40 3kbt h LEU 1711Cb 0.17 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3kbt h LEU 1711CO -0.17 0.44 0.54 0.58 0.09 0.00 0.00 178.44 179.93 3kbt h VAL 1712N 0.71 1.16 0.00 1.22 2.07 -1.38 -1.86 116.25 118.16 3kbt h VAL 1712Ca 0.19 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 3kbt h VAL 1712Cb -0.07 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.68 3kbt h VAL 1712CO -0.04 0.20 -0.21 0.00 0.02 0.00 0.00 177.57 177.54 3kbt h ALA 1713N 1.34 1.53 -0.00 1.67 0.00 -0.80 -2.97 119.26 120.02 3kbt h ALA 1713Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kbt h ALA 1713Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kbt h ALA 1713CO -0.10 0.26 -0.11 -1.13 0.00 0.00 0.00 179.25 178.17 3kbt n SER 1714N -4.11 0.44 -4.57 0.00 3.41 -0.33 -4.75 113.62 103.70 3kbt n SER 1714Ca -0.02 -0.52 -0.49 0.00 -0.26 0.00 0.00 58.87 57.58 3kbt n SER 1714Cb 0.28 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 3kbt n SER 1714CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kbt n SER 1715N -1.00 1.26 0.06 4.04 2.88 -1.13 -4.87 113.62 114.86 3kbt n SER 1715Ca 0.14 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 58.94 3kbt n SER 1715Cb 0.28 -1.20 0.12 0.00 -0.75 0.00 0.00 64.21 62.66 3kbt n SER 1715CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3kbt h PRO 1716N 3.40 0.00 -5.84 -1.46 0.13 -1.93 -3.48 132.00 122.82 3kbt h PRO 1716Ca -0.43 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.98 3kbt h PRO 1716Cb 1.35 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.43 3kbt h PRO 1716CO 0.70 0.00 1.40 -1.91 -0.23 0.00 0.00 178.00 177.96 3kbt n GLU 1717N -2.17 0.11 0.03 0.86 2.13 -1.26 -4.82 120.64 115.53 3kbt n GLU 1717Ca 0.03 0.03 0.10 0.00 0.66 0.00 0.00 57.16 57.97 3kbt n GLU 1717Cb 0.45 -1.61 -0.11 0.00 0.27 0.00 0.00 31.44 30.45 3kbt n GLU 1717CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3kbt n MET 1718N 7.73 0.64 0.00 5.31 2.81 -1.26 -5.04 117.12 127.31 3kbt n MET 1718Ca 0.55 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.38 3kbt n MET 1718Cb 0.00 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 3kbt n MET 1718CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kbt n GLY 1719N 1.25 -1.02 0.14 3.03 0.00 -1.26 -4.68 105.19 102.66 3kbt n GLY 1719Ca -0.04 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 3kbt n GLY 1719CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3kbt h GLN 1720N 0.00 0.45 0.00 1.61 3.07 -1.99 -3.45 115.11 114.80 3kbt h GLN 1720Ca 0.00 -0.77 -0.15 0.00 0.09 0.00 0.00 58.65 57.83 3kbt h GLN 1720Cb 0.00 0.29 -0.03 0.00 0.08 0.00 0.00 27.48 27.82 3kbt h GLN 1720CO 0.00 1.37 -0.12 -0.40 0.09 0.00 0.00 178.83 179.77 3kbt n ASP 1721N -3.86 1.29 -0.01 0.06 5.68 -1.26 -5.03 116.55 113.42 3kbt n ASP 1721Ca -0.17 -1.55 -0.13 0.00 -0.50 0.00 0.00 54.79 52.45 3kbt n ASP 1721Cb 1.01 0.22 -0.00 0.00 -1.14 0.00 0.00 41.12 41.21 3kbt n ASP 1721CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3kbt h PHE 1722N 1.15 0.84 -0.36 2.11 3.57 -1.93 -2.51 116.94 119.81 3kbt h PHE 1722Ca -0.09 -0.33 -0.10 0.00 3.53 0.00 0.00 57.97 60.98 3kbt h PHE 1722Cb 0.31 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3kbt h PHE 1722CO 0.00 1.11 -0.18 -0.44 -2.23 0.00 0.00 178.31 176.57 3kbt h ASP 1723N 0.48 0.68 -0.12 0.41 3.32 -1.97 -1.14 116.42 118.07 3kbt h ASP 1723Ca -0.01 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 3kbt h ASP 1723Cb 1.23 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 3kbt h ASP 1723CO 0.13 0.86 -0.02 0.45 -1.72 0.00 0.00 179.24 178.93 3kbt h HIS 1724N 0.61 0.25 -0.56 4.55 3.86 -1.96 -1.92 115.15 119.99 3kbt h HIS 1724Ca 0.09 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 3kbt h HIS 1724Cb 0.64 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.03 3kbt h HIS 1724CO 0.03 0.52 0.23 -0.24 0.86 0.00 0.00 177.93 179.33 3kbt h VAL 1725N -0.08 1.20 -0.13 2.45 3.04 -1.42 -0.41 116.25 120.90 3kbt h VAL 1725Ca 0.03 -0.60 -0.00 0.00 -1.01 0.00 0.00 66.70 65.12 3kbt h VAL 1725Cb 0.43 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 3kbt h VAL 1725CO 0.01 0.24 0.08 0.74 -1.01 0.00 0.00 177.57 177.63 3kbt h THR 1726N 0.80 1.07 -0.09 3.17 2.02 -1.08 0.13 112.91 118.93 3kbt h THR 1726Ca 0.19 -0.17 0.04 0.00 0.77 0.00 0.00 66.41 67.24 3kbt h THR 1726Cb 0.14 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 3kbt h THR 1726CO -0.02 0.06 -0.19 0.25 0.37 0.00 0.00 175.52 175.99 3kbt h LEU 1727N 0.14 -0.57 -0.54 2.58 7.12 -0.59 -0.48 115.31 122.98 3kbt h LEU 1727Ca 0.05 0.09 0.01 0.00 0.13 0.00 0.00 57.88 58.16 3kbt h LEU 1727Cb 0.03 0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 40.39 3kbt h LEU 1727CO -0.01 -0.24 0.35 -0.07 -0.13 0.00 0.00 178.44 178.34 3kbt h LEU 1728N -0.26 0.59 0.28 2.25 3.38 -0.82 -0.24 115.31 120.49 3kbt h LEU 1728Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kbt h LEU 1728Cb 0.38 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3kbt h LEU 1728CO -0.24 0.43 -0.15 -0.09 0.09 0.00 0.00 178.44 178.48 3kbt h ARG 1729N 0.71 -0.38 -0.89 1.13 2.43 -0.39 0.11 114.38 117.09 3kbt h ARG 1729Ca 0.20 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3kbt h ARG 1729Cb -0.05 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3kbt h ARG 1729CO -0.06 -0.26 0.47 -0.44 -1.51 0.00 0.00 179.97 178.18 3kbt h ASP 1730N -0.40 1.13 -0.42 -3.80 3.32 -0.93 -1.28 116.42 114.04 3kbt h ASP 1730Ca -0.03 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 3kbt h ASP 1730Cb 0.32 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3kbt h ASP 1730CO 0.05 0.92 -0.13 0.11 -1.72 0.00 0.00 179.24 178.47 3kbt h LYS 1731N 1.25 0.83 -0.41 3.56 1.57 -0.85 -2.21 116.57 120.31 3kbt h LYS 1731Ca 0.31 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 3kbt h LYS 1731Cb 0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3kbt h LYS 1731CO -0.05 0.96 -0.06 0.35 -0.57 0.00 0.00 179.45 180.09 3kbt h PHE 1732N 0.66 0.75 0.10 -1.35 3.57 -0.56 -0.96 116.94 119.15 3kbt h PHE 1732Ca 0.10 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3kbt h PHE 1732Cb 0.67 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3kbt h PHE 1732CO 0.05 0.74 -0.05 -0.09 -2.23 0.00 0.00 178.31 176.73 3kbt h ARG 1733N 0.65 -0.13 -0.85 1.11 2.43 -0.99 0.20 114.38 116.80 3kbt h ARG 1733Ca 0.12 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.43 3kbt h ARG 1733Cb 0.49 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.98 3kbt h ARG 1733CO 0.03 -0.08 0.46 -0.44 -1.51 0.00 0.00 179.97 178.43 3kbt h ASP 1734N -0.15 0.60 -0.16 -3.80 3.32 -1.20 -1.55 116.42 113.48 3kbt h ASP 1734Ca -0.01 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3kbt h ASP 1734Cb 0.12 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3kbt h ASP 1734CO 0.02 0.29 0.03 0.15 -1.72 0.00 0.00 179.24 178.01 3kbt h PHE 1735N 0.69 0.27 -0.99 4.55 3.57 -0.33 0.91 116.94 125.62 3kbt h PHE 1735Ca 0.45 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 62.00 3kbt h PHE 1735Cb 0.56 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.15 3kbt h PHE 1735CO -0.08 0.42 0.63 0.00 -2.23 0.00 0.00 178.31 177.05 3kbt h ALA 1736N 0.82 1.44 -0.07 2.41 0.00 -0.13 0.10 119.26 123.84 3kbt h ALA 1736Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3kbt h ALA 1736Cb 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kbt h ALA 1736CO 0.00 0.32 -0.31 -0.09 0.00 0.00 0.00 179.25 179.17 3kbt h ARG 1737N 1.07 0.34 -0.58 0.00 2.43 -0.94 -0.96 114.38 115.74 3kbt h ARG 1737Ca 0.46 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3kbt h ARG 1737Cb 0.33 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3kbt h ARG 1737CO -0.22 0.91 0.25 1.49 -1.51 0.00 0.00 179.97 180.89 3kbt h GLU 1738N -0.15 0.85 -0.67 0.20 4.57 -0.53 -2.06 114.58 116.78 3kbt h GLU 1738Ca -0.02 -0.14 -0.07 0.00 -1.18 0.00 0.00 59.36 57.94 3kbt h GLU 1738Cb 0.96 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 3kbt h GLU 1738CO 0.07 0.71 0.13 1.15 -1.18 0.00 0.00 179.01 179.89 3kbt h THR 1739N 0.79 1.26 0.29 0.32 2.02 -0.83 -1.15 112.91 115.61 3kbt h THR 1739Ca 0.20 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 3kbt h THR 1739Cb 0.16 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3kbt h THR 1739CO -0.02 0.38 -0.14 1.23 0.37 0.00 0.00 175.52 177.34 3kbt h GLY 1740N 1.03 -0.41 0.98 2.16 0.00 -1.02 -0.69 103.07 105.12 3kbt h GLY 1740Ca 0.21 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 3kbt h GLY 1740CO 0.01 -0.15 -0.16 0.00 0.00 0.00 0.00 176.54 176.24 3kbt h ALA 1741N 0.20 -0.42 -0.31 3.60 0.00 -1.32 0.58 119.26 121.59 3kbt h ALA 1741Ca -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3kbt h ALA 1741Cb 0.36 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kbt h ALA 1741CO 0.07 -0.74 0.05 0.82 0.00 0.00 0.00 179.25 179.45 3kbt h ILE 1742N -0.43 1.23 -0.28 0.00 1.08 -1.26 -2.96 117.51 114.90 3kbt h ILE 1742Ca -0.04 -0.79 -0.00 0.00 -0.39 0.00 0.00 64.86 63.64 3kbt h ILE 1742Cb 0.34 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 3kbt h ILE 1742CO 0.06 0.26 0.16 1.23 -0.69 0.00 0.00 178.15 179.17 3kbt h GLY 1743N 0.33 0.41 1.07 5.37 0.00 -1.05 -2.33 103.07 106.86 3kbt h GLY 1743Ca 0.09 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.26 3kbt h GLY 1743CO 0.00 0.17 0.63 -1.61 0.00 0.00 0.00 176.54 175.74 3kbt h GLN 1744N 0.34 1.25 0.15 4.80 5.75 -0.85 0.29 115.11 126.84 3kbt h GLN 1744Ca 0.10 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3kbt h GLN 1744Cb 0.04 -0.28 0.00 0.00 1.07 0.00 0.00 27.48 28.31 3kbt h GLN 1744CO -0.02 0.83 -0.07 1.49 -2.65 0.00 0.00 178.83 178.41 3kbt h GLU 1745N 1.29 -0.20 -0.79 1.69 4.81 -1.36 0.15 114.58 120.17 3kbt h GLU 1745Ca 0.35 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 3kbt h GLU 1745Cb -0.15 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 3kbt h GLU 1745CO -0.08 -0.09 0.47 0.00 -0.73 0.00 0.00 179.01 178.58 3kbt h ARG 1746N -0.26 1.09 -0.33 1.92 3.08 -0.82 -0.18 114.38 118.89 3kbt h ARG 1746Ca -0.02 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3kbt h ARG 1746Cb 0.20 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3kbt h ARG 1746CO 0.03 0.78 0.18 0.28 -1.07 0.00 0.00 179.97 180.17 3kbt h VAL 1747N 1.09 1.14 -0.38 2.04 2.07 -0.89 -1.88 116.25 119.45 3kbt h VAL 1747Ca 0.28 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.44 3kbt h VAL 1747Cb -0.02 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3kbt h VAL 1747CO -0.05 0.15 0.21 0.44 0.02 0.00 0.00 177.57 178.33 3kbt h ASP 1748N 0.41 0.32 -0.69 0.57 5.19 -0.39 0.17 116.42 122.00 3kbt h ASP 1748Ca 0.12 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.58 3kbt h ASP 1748Cb 0.07 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 39.48 3kbt h ASP 1748CO -0.02 0.23 0.41 0.78 -3.12 0.00 0.00 179.24 177.53 3kbt h ASN 1749N 0.42 0.66 -0.03 6.45 2.35 -0.86 0.14 115.58 124.71 3kbt h ASN 1749Ca 0.15 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 3kbt h ASN 1749Cb 0.03 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3kbt h ASN 1749CO -0.09 0.45 -0.39 0.58 -1.65 0.00 0.00 177.43 176.33 3kbt h VAL 1750N 0.79 1.30 -0.26 2.81 2.07 -0.96 -1.84 116.25 120.16 3kbt h VAL 1750Ca 0.29 -1.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 3kbt h VAL 1750Cb 0.08 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3kbt h VAL 1750CO -0.13 0.48 0.03 0.78 0.02 0.00 0.00 177.57 178.75 3kbt h ASN 1751N 0.45 0.42 -0.35 0.57 2.35 -0.35 -0.18 115.58 118.49 3kbt h ASN 1751Ca 0.04 -0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 55.44 3kbt h ASN 1751Cb 0.88 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 3kbt h ASN 1751CO 0.07 0.59 -0.04 0.00 -1.65 0.00 0.00 177.43 176.40 3kbt h ALA 1752N 0.85 1.11 0.05 -0.83 0.00 -0.65 -1.12 119.26 118.67 3kbt h ALA 1752Ca 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kbt h ALA 1752Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kbt h ALA 1752CO 0.01 0.56 -0.03 0.35 0.00 0.00 0.00 179.25 180.14 3kbt h PHE 1753N 0.69 -0.07 -0.76 0.00 3.57 -1.24 -0.58 116.94 118.55 3kbt h PHE 1753Ca 0.13 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.73 3kbt h PHE 1753Cb 0.48 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 3kbt h PHE 1753CO 0.02 0.23 0.40 0.82 -2.23 0.00 0.00 178.31 177.55 3kbt h ILE 1754N -0.37 0.85 -0.16 1.41 2.04 -0.77 -1.61 117.51 118.90 3kbt h ILE 1754Ca -0.01 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 3kbt h ILE 1754Cb 0.33 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3kbt h ILE 1754CO 0.01 0.12 -0.30 -0.33 0.00 0.00 0.00 178.15 177.65 3kbt h GLU 1755N 0.66 0.31 -0.45 2.37 4.39 -0.92 -2.34 114.58 118.60 3kbt h GLU 1755Ca 0.38 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.88 3kbt h GLU 1755Cb 0.40 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3kbt h GLU 1755CO -0.28 0.59 -0.01 0.00 -1.16 0.00 0.00 179.01 178.15 3kbt h ARG 1756N 0.27 0.80 0.97 2.33 3.08 -0.17 -1.25 114.38 120.42 3kbt h ARG 1756Ca 0.04 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 3kbt h ARG 1756Cb 0.67 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.66 3kbt h ARG 1756CO 0.05 0.87 -0.49 -0.07 -1.07 0.00 0.00 179.97 179.26 3kbt h LEU 1757N 0.65 -1.17 -0.62 3.04 3.38 -1.13 -0.52 115.31 118.94 3kbt h LEU 1757Ca 0.13 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.27 3kbt h LEU 1757Cb 0.52 0.31 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 3kbt h LEU 1757CO 0.03 -0.81 -0.00 0.40 0.09 0.00 0.00 178.44 178.14 3kbt h ILE 1758N -1.33 0.49 -0.11 1.22 2.04 -1.42 0.60 117.51 118.99 3kbt h ILE 1758Ca -0.13 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3kbt h ILE 1758Cb 1.02 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3kbt h ILE 1758CO 0.20 0.02 -0.08 0.44 0.00 0.00 0.00 178.15 178.73 3kbt h ASP 1759N 0.11 0.15 1.98 1.72 5.19 -1.08 -0.58 116.42 123.92 3kbt h ASP 1759Ca 0.32 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 3kbt h ASP 1759Cb 0.52 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.99 3kbt h ASP 1759CO -0.53 0.26 0.00 0.00 -3.12 0.00 0.00 179.24 175.85 3kbt h ALA 1760N 1.76 1.00 -0.41 3.45 0.00 0.75 -3.49 119.26 122.32 3kbt h ALA 1760Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kbt h ALA 1760Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kbt h ALA 1760CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3kbt n GLY 1761N 1.09 -0.10 2.92 0.00 0.00 -0.22 -5.10 105.19 103.78 3kbt n GLY 1761Ca 0.04 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 3kbt n GLY 1761CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kbt s HIS 1762N 0.00 0.19 -0.37 1.61 5.04 -1.26 -4.93 115.29 115.57 3kbt s HIS 1762Ca 0.00 -0.12 0.25 0.00 -1.54 0.00 0.00 55.06 53.64 3kbt s HIS 1762Cb 0.00 -0.12 1.06 0.00 0.04 0.00 0.00 32.58 33.56 3kbt s HIS 1762CO 0.00 -0.03 1.75 0.66 -2.34 0.00 0.00 174.74 174.77 3kbt h SER 1763N 5.81 0.00 -0.18 9.88 4.64 -1.99 -3.10 113.55 128.61 3kbt h SER 1763Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3kbt h SER 1763Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3kbt h SER 1763CO 0.49 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.83 3kbt n GLU 1764N -2.34 2.68 -0.31 4.77 -0.58 -1.26 -4.78 120.64 118.81 3kbt n GLU 1764Ca 0.02 -2.16 0.16 0.00 -0.42 0.00 0.00 57.16 54.76 3kbt n GLU 1764Cb 0.22 -1.36 0.34 0.00 -0.57 0.00 0.00 31.44 30.06 3kbt n GLU 1764CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kbt h ALA 1765N 1.14 1.41 -0.69 0.62 0.00 -1.97 0.32 119.26 120.09 3kbt h ALA 1765Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3kbt h ALA 1765Cb 0.87 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3kbt h ALA 1765CO 0.05 -0.55 0.44 0.00 0.00 0.00 0.00 179.25 179.18 3kbt h ALA 1766N 1.85 0.90 0.01 0.00 0.00 -1.89 -0.61 119.26 119.52 3kbt h ALA 1766Ca 0.61 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 3kbt h ALA 1766Cb 1.32 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kbt h ALA 1766CO -0.72 0.22 -0.00 1.15 0.00 0.00 0.00 179.25 179.90 3kbt h THR 1767N 0.86 1.43 -0.77 0.00 2.02 -1.39 -2.81 112.91 112.25 3kbt h THR 1767Ca 0.27 -1.30 0.18 0.00 0.77 0.00 0.00 66.41 66.33 3kbt h THR 1767Cb -0.01 2.30 -0.12 0.00 -1.74 0.00 0.00 68.15 68.59 3kbt h THR 1767CO -0.10 0.33 0.13 0.40 0.37 0.00 0.00 175.52 176.65 3kbt h ILE 1768N -0.56 0.42 -0.94 3.11 2.04 -1.00 -0.09 117.51 120.48 3kbt h ILE 1768Ca -0.00 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.81 3kbt h ILE 1768Cb 0.55 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 3kbt h ILE 1768CO 0.00 0.04 0.62 0.00 0.00 0.00 0.00 178.15 178.81 3kbt h ALA 1769N 1.67 1.36 -0.75 1.87 0.00 -1.06 -0.87 119.26 121.48 3kbt h ALA 1769Ca 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3kbt h ALA 1769Cb 0.79 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3kbt h ALA 1769CO -0.59 0.58 0.37 0.93 0.00 0.00 0.00 179.25 180.54 3kbt h GLU 1770N 1.23 1.07 0.17 0.00 5.08 -0.77 -0.08 114.58 121.28 3kbt h GLU 1770Ca 0.35 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3kbt h GLU 1770Cb -0.08 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 28.97 3kbt h GLU 1770CO -0.09 0.81 -0.08 -1.49 -1.00 0.00 0.00 179.01 177.16 3kbt h TRP 1771N 1.06 -0.21 -0.61 4.33 6.55 -0.55 -1.41 115.95 125.10 3kbt h TRP 1771Ca 0.26 -0.01 0.10 0.00 0.95 0.00 0.00 58.89 60.20 3kbt h TRP 1771Cb 0.09 0.07 -0.08 0.00 -0.86 0.00 0.00 29.16 28.38 3kbt h TRP 1771CO 0.01 -0.03 0.20 -0.22 -1.05 0.00 0.00 178.44 177.34 3kbt h LYS 1772N -0.36 0.34 -0.53 0.49 3.64 -0.88 0.18 116.57 119.45 3kbt h LYS 1772Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3kbt h LYS 1772Cb 0.28 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3kbt h LYS 1772CO 0.04 0.23 0.34 -0.44 -2.27 0.00 0.00 179.45 177.35 3kbt h ASP 1773N 0.35 0.61 -0.37 4.20 3.32 -0.74 -0.80 116.42 122.99 3kbt h ASP 1773Ca 0.32 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 3kbt h ASP 1773Cb 0.43 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3kbt h ASP 1773CO -0.35 0.46 0.07 1.23 -1.72 0.00 0.00 179.24 178.93 3kbt h GLY 1774N 0.71 0.65 0.94 2.75 0.00 -0.13 -1.02 103.07 106.97 3kbt h GLY 1774Ca 0.19 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.10 3kbt h GLY 1774CO -0.04 0.40 0.06 -2.00 0.00 0.00 0.00 176.54 174.96 3kbt h LEU 1775N 0.45 0.09 -1.28 3.11 5.85 -0.57 -0.44 115.31 122.52 3kbt h LEU 1775Ca 0.11 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3kbt h LEU 1775Cb 0.34 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3kbt h LEU 1775CO 0.01 0.07 0.05 0.78 -0.34 0.00 0.00 178.44 179.01 3kbt h ASN 1776N 0.13 0.50 -0.28 1.25 2.35 -0.93 -2.02 115.58 116.58 3kbt h ASN 1776Ca 0.05 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 3kbt h ASN 1776Cb 0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3kbt h ASN 1776CO -0.04 0.53 -0.12 -0.08 -1.65 0.00 0.00 177.43 176.07 3kbt h GLU 1777N 0.53 0.58 -0.83 0.81 4.81 -0.74 -2.23 114.58 117.51 3kbt h GLU 1777Ca 0.12 -0.25 0.07 0.00 -0.13 0.00 0.00 59.36 59.17 3kbt h GLU 1777Cb 0.26 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 3kbt h GLU 1777CO 0.00 0.82 0.50 0.52 -0.73 0.00 0.00 179.01 180.12 3kbt h MET 1778N 0.33 0.86 -0.28 1.92 2.86 -0.66 -1.09 114.93 118.87 3kbt h MET 1778Ca 0.06 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3kbt h MET 1778Cb 0.63 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3kbt h MET 1778CO 0.04 0.57 0.03 2.35 1.06 0.00 0.00 176.91 180.96 3kbt h TRP 1779N 0.89 0.50 -0.84 -0.22 -0.00 -1.26 0.11 115.95 115.14 3kbt h TRP 1779Ca 0.38 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.89 59.16 3kbt h TRP 1779Cb 0.24 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.16 29.22 3kbt h TRP 1779CO -0.04 0.59 0.42 0.00 -0.00 0.00 0.00 178.44 179.40 3kbt h ALA 1780N 0.85 1.16 -0.03 2.65 0.00 -1.09 -1.04 119.26 121.76 3kbt h ALA 1780Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kbt h ALA 1780Cb 0.36 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kbt h ALA 1780CO 0.01 0.65 0.00 -0.44 0.00 0.00 0.00 179.25 179.47 3kbt h ASP 1781N 1.19 -0.00 -0.10 0.00 3.32 -0.77 -1.56 116.42 118.50 3kbt h ASP 1781Ca 0.29 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.36 3kbt h ASP 1781Cb 0.09 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3kbt h ASP 1781CO -0.04 0.00 -0.01 0.25 -1.72 0.00 0.00 179.24 177.73 3kbt h LEU 1782N 0.01 -0.05 -1.26 1.55 5.85 -0.49 0.24 115.31 121.16 3kbt h LEU 1782Ca 0.01 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.89 3kbt h LEU 1782Cb 0.01 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 3kbt h LEU 1782CO -0.02 -0.01 0.58 -0.07 -0.34 0.00 0.00 178.44 178.58 3kbt h LEU 1783N 0.02 0.69 0.00 2.25 3.38 -0.99 0.24 115.31 120.90 3kbt h LEU 1783Ca 0.05 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kbt h LEU 1783Cb 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kbt h LEU 1783CO -0.08 0.35 -0.00 -0.08 0.09 0.00 0.00 178.44 178.72 3kbt h GLU 1784N 0.73 -0.00 -0.60 1.13 4.81 -0.19 -2.47 114.58 118.00 3kbt h GLU 1784Ca 0.45 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.80 3kbt h GLU 1784Cb 0.67 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.94 3kbt h GLU 1784CO -0.21 0.69 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.49 3kbt h LEU 1785N -0.71 -0.73 -0.92 1.64 3.38 0.07 0.16 115.31 118.20 3kbt h LEU 1785Ca -0.00 0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.29 3kbt h LEU 1785Cb 0.70 0.43 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 3kbt h LEU 1785CO 0.00 -0.24 0.55 0.40 0.09 0.00 0.00 178.44 179.24 3kbt h ILE 1786N -0.06 0.85 -0.33 1.22 2.04 -0.55 -1.30 117.51 119.38 3kbt h ILE 1786Ca 0.28 -0.29 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 3kbt h ILE 1786Cb 0.49 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3kbt h ILE 1786CO -0.64 0.15 -0.23 -0.78 0.00 0.00 0.00 178.15 176.65 3kbt h ASP 1787N 0.83 0.78 0.45 1.72 3.58 -0.25 -0.73 116.42 122.80 3kbt h ASP 1787Ca 0.47 -0.44 -0.13 0.00 0.42 0.00 0.00 57.03 57.36 3kbt h ASP 1787Cb 0.54 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 3kbt h ASP 1787CO -0.30 1.05 -0.57 0.71 -2.88 0.00 0.00 179.24 177.25 3kbt h THR 1788N 0.52 1.39 -0.58 2.25 1.35 -0.87 0.25 112.91 117.21 3kbt h THR 1788Ca 0.07 -1.93 -0.04 0.00 -0.55 0.00 0.00 66.41 63.96 3kbt h THR 1788Cb 0.79 1.99 -0.03 0.00 -1.73 0.00 0.00 68.15 69.18 3kbt h THR 1788CO 0.06 0.56 0.22 -0.09 -0.25 0.00 0.00 175.52 176.02 3kbt h ARG 1789N 0.10 0.88 -0.62 4.72 9.65 -1.05 0.81 114.38 128.87 3kbt h ARG 1789Ca -0.00 -0.17 -0.05 0.00 -1.10 0.00 0.00 59.98 58.66 3kbt h ARG 1789Cb 1.03 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.45 3kbt h ARG 1789CO 0.08 0.77 0.20 1.98 2.80 0.00 0.00 179.97 185.80 3kbt h MET 1790N 0.81 0.96 -0.31 0.20 4.05 -0.63 -1.21 114.93 118.79 3kbt h MET 1790Ca 0.19 -0.20 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 3kbt h MET 1790Cb 0.23 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 3kbt h MET 1790CO -0.01 0.84 -0.07 1.96 0.23 0.00 0.00 176.91 179.86 3kbt h GLN 1791N 0.88 0.51 0.69 0.39 4.20 -0.64 -0.15 115.11 121.00 3kbt h GLN 1791Ca 0.20 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3kbt h GLN 1791Cb 0.28 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3kbt h GLN 1791CO -0.01 0.59 -0.35 1.25 -0.67 0.00 0.00 178.83 179.64 3kbt h LEU 1792N 0.48 -0.84 -2.02 1.46 5.85 -0.26 -1.76 115.31 118.22 3kbt h LEU 1792Ca 0.10 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3kbt h LEU 1792Cb 0.42 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3kbt h LEU 1792CO 0.02 -0.58 0.10 -0.07 -0.34 0.00 0.00 178.44 177.57 3kbt h LEU 1793N -0.95 0.00 -0.40 2.25 3.38 -1.00 -0.58 115.31 118.01 3kbt h LEU 1793Ca -0.09 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 3kbt h LEU 1793Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3kbt h LEU 1793CO 0.14 0.00 -0.36 0.00 0.09 0.00 0.00 178.44 178.31 3kbt h ALA 1794N 1.93 0.58 -0.50 1.53 0.00 -0.62 -0.91 119.26 121.27 3kbt h ALA 1794Ca 0.07 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 3kbt h ALA 1794Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kbt h ALA 1794CO -0.00 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.87 3kbt h ALA 1795N 0.78 0.67 -0.57 0.00 0.00 -0.37 -0.97 119.26 118.81 3kbt h ALA 1795Ca 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3kbt h ALA 1795Cb 0.96 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3kbt h ALA 1795CO 0.09 0.53 0.28 1.03 0.00 0.00 0.00 179.25 181.18 3kbt h SER 1796N 0.77 0.74 -0.33 0.00 0.87 -1.06 -2.41 113.55 112.12 3kbt h SER 1796Ca 0.13 -0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3kbt h SER 1796Cb 0.59 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 3kbt h SER 1796CO 0.04 0.65 0.11 0.22 -0.53 0.00 0.00 176.83 177.32 3kbt h TYR 1797N 0.77 0.19 -0.59 2.24 3.20 -0.86 -2.33 116.97 119.58 3kbt h TYR 1797Ca 0.20 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.17 3kbt h TYR 1797Cb 0.11 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.28 3kbt h TYR 1797CO -0.00 0.07 0.24 -0.44 -1.64 0.00 0.00 178.16 176.39 3kbt h ASP 1798N 0.24 0.26 -0.31 -2.11 5.19 -0.89 0.14 116.42 118.93 3kbt h ASP 1798Ca 0.15 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 3kbt h ASP 1798Cb 0.13 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 3kbt h ASP 1798CO -0.16 0.16 0.16 0.25 -3.12 0.00 0.00 179.24 176.52 3kbt h LEU 1799N 0.43 0.41 -0.76 1.55 5.85 -1.19 -1.64 115.31 119.95 3kbt h LEU 1799Ca 0.29 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 3kbt h LEU 1799Cb 0.33 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3kbt h LEU 1799CO -0.28 0.41 -0.52 0.45 -0.34 0.00 0.00 178.44 178.16 3kbt h HIS 1800N 0.38 0.32 -0.17 1.25 3.86 -0.89 -2.23 115.15 117.66 3kbt h HIS 1800Ca 0.11 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3kbt h HIS 1800Cb 0.10 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3kbt h HIS 1800CO -0.02 0.73 0.05 -0.09 0.86 0.00 0.00 177.93 179.45 3kbt h ARG 1801N 0.20 0.23 0.30 2.45 2.43 -0.49 -0.64 114.38 118.87 3kbt h ARG 1801Ca 0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3kbt h ARG 1801Cb 0.99 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3kbt h ARG 1801CO 0.08 0.22 -0.14 -0.92 -1.51 0.00 0.00 179.97 177.70 3kbt h TYR 1802N 0.24 -0.38 -1.01 2.20 3.20 -0.71 -1.78 116.97 118.74 3kbt h TYR 1802Ca 0.06 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.01 3kbt h TYR 1802Cb 0.09 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.41 3kbt h TYR 1802CO 0.00 -0.03 0.64 0.74 -1.64 0.00 0.00 178.16 177.88 3kbt h PHE 1803N -0.91 1.19 -0.05 -3.82 0.04 -1.39 -0.58 116.94 111.42 3kbt h PHE 1803Ca -0.04 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 3kbt h PHE 1803Cb 0.51 -0.38 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 3kbt h PHE 1803CO 0.04 0.56 0.03 -0.92 -0.60 0.00 0.00 178.31 177.42 3kbt h TYR 1804N 1.11 0.07 -0.74 -0.55 3.20 -1.13 -2.22 116.97 116.71 3kbt h TYR 1804Ca 0.46 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.39 3kbt h TYR 1804Cb 0.29 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 3kbt h TYR 1804CO -0.00 0.14 0.49 1.15 -1.64 0.00 0.00 178.16 178.30 3kbt h THR 1805N -0.02 1.02 -0.30 1.81 2.02 -0.89 -1.82 112.91 114.73 3kbt h THR 1805Ca 0.02 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 3kbt h THR 1805Cb 0.09 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3kbt h THR 1805CO -0.00 0.14 0.12 1.23 0.37 0.00 0.00 175.52 177.38 3kbt h GLY 1806N 0.77 0.49 1.00 2.16 0.00 -0.66 -0.98 103.07 105.85 3kbt h GLY 1806Ca 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3kbt h GLY 1806CO -0.11 0.25 0.33 0.00 0.00 0.00 0.00 176.54 177.02 3kbt h ALA 1807N 0.96 0.67 -0.42 3.60 0.00 -0.92 -1.20 119.26 121.95 3kbt h ALA 1807Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kbt h ALA 1807Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kbt h ALA 1807CO -0.01 0.14 0.28 0.93 0.00 0.00 0.00 179.25 180.58 3kbt h GLU 1808N 0.71 0.55 -0.73 0.00 4.39 -1.08 -2.44 114.58 115.98 3kbt h GLU 1808Ca 0.19 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 3kbt h GLU 1808Cb -0.05 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 3kbt h GLU 1808CO -0.04 0.36 0.30 0.82 -1.16 0.00 0.00 179.01 179.30 3kbt h ILE 1809N 0.57 1.25 -0.81 3.13 2.04 -0.91 -0.81 117.51 121.97 3kbt h ILE 1809Ca 0.15 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.26 3kbt h ILE 1809Cb -0.06 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 3kbt h ILE 1809CO -0.04 0.31 0.53 -0.07 0.00 0.00 0.00 178.15 178.89 3kbt h LEU 1810N 1.05 0.90 -0.64 1.44 3.38 -0.95 0.13 115.31 120.62 3kbt h LEU 1810Ca 0.25 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3kbt h LEU 1810Cb 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3kbt h LEU 1810CO -0.02 0.64 0.12 1.23 0.09 0.00 0.00 178.44 180.50 3kbt h GLY 1811N 1.06 1.13 1.59 0.83 0.00 -1.07 -1.28 103.07 105.33 3kbt h GLY 1811Ca 0.31 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 3kbt h GLY 1811CO -0.08 0.68 -0.21 1.41 0.00 0.00 0.00 176.54 178.34 3kbt h LEU 1812N 0.96 0.48 0.07 3.11 3.38 -0.34 0.30 115.31 123.27 3kbt h LEU 1812Ca 0.20 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kbt h LEU 1812Cb 0.41 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kbt h LEU 1812CO 0.01 0.70 -0.03 0.40 0.09 0.00 0.00 178.44 179.60 3kbt h ILE 1813N 0.43 1.16 -0.29 1.22 1.08 -0.49 -2.68 117.51 117.94 3kbt h ILE 1813Ca 0.07 -0.85 0.05 0.00 -0.39 0.00 0.00 64.86 63.73 3kbt h ILE 1813Cb 0.61 1.71 -0.04 0.00 -3.07 0.00 0.00 36.82 36.03 3kbt h ILE 1813CO 0.04 0.21 0.02 -0.78 -0.69 0.00 0.00 178.15 176.96 3kbt h ASP 1814N -0.49 -0.07 -0.32 1.72 3.58 -1.10 0.17 116.42 119.92 3kbt h ASP 1814Ca -0.01 0.06 0.07 0.00 0.42 0.00 0.00 57.03 57.56 3kbt h ASP 1814Cb 0.42 0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.50 3kbt h ASP 1814CO 0.02 0.00 -0.09 -0.08 -2.88 0.00 0.00 179.24 176.21 3kbt h GLU 1815N 0.11 -0.01 -0.44 0.28 4.81 -0.45 -1.06 114.58 117.84 3kbt h GLU 1815Ca 0.14 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3kbt h GLU 1815Cb 0.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3kbt h GLU 1815CO -0.21 -0.01 -0.01 0.87 -0.73 0.00 0.00 179.01 178.92 3kbt h LYS 1816N -0.01 0.78 -0.31 1.92 1.79 -1.06 -2.24 116.57 117.43 3kbt h LYS 1816Ca 0.16 -0.25 0.06 0.00 -2.18 0.00 0.00 60.65 58.43 3kbt h LYS 1816Cb 0.25 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 3kbt h LYS 1816CO -0.34 0.85 -0.07 1.25 -1.08 0.00 0.00 179.45 180.06 3kbt h HIS 1817N 0.62 -0.15 -0.12 -1.35 2.76 -0.22 -0.80 115.15 115.89 3kbt h HIS 1817Ca 0.12 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 3kbt h HIS 1817Cb 0.51 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 3kbt h HIS 1817CO 0.04 -0.13 -0.07 0.00 -1.30 0.00 0.00 177.93 176.47 3kbt h ARG 1818N 0.01 0.18 0.00 5.26 3.08 -1.16 -2.33 114.38 119.41 3kbt h ARG 1818Ca 0.15 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3kbt h ARG 1818Cb 0.23 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3kbt h ARG 1818CO -0.32 0.26 0.00 -1.91 -1.07 0.00 0.00 179.97 176.93 3kbt n GLU 1819N -4.36 0.37 -3.14 0.04 2.13 -0.32 -4.79 120.64 110.58 3kbt n GLU 1819Ca -0.01 0.05 -0.39 0.00 0.66 0.00 0.00 57.16 57.47 3kbt n GLU 1819Cb 0.21 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.36 3kbt n GLU 1819CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3kbt s LEU 1820N -2.20 4.52 0.45 4.31 2.96 -0.88 -5.06 118.68 122.78 3kbt s LEU 1820Ca 0.19 1.39 -0.16 0.00 -0.22 0.00 0.00 54.13 55.33 3kbt s LEU 1820Cb 0.10 -3.06 -0.09 0.00 0.50 0.00 0.00 46.19 43.64 3kbt s LEU 1820CO 0.19 0.20 0.90 -2.84 -1.32 0.00 0.00 176.35 173.48 3kbt s PRO 1821N -0.86 4.00 0.12 0.98 0.02 -1.26 -4.97 135.00 133.02 3kbt s PRO 1821Ca 0.32 0.87 -0.32 0.00 0.02 0.00 0.00 61.00 61.90 3kbt s PRO 1821Cb -0.21 -2.23 -0.11 0.00 0.02 0.00 0.00 34.50 31.97 3kbt s PRO 1821CO 0.21 -0.10 1.81 -1.91 -0.33 0.00 0.00 177.00 176.68 3kbt n GLU 1822N -1.10 2.70 -2.58 5.54 2.13 -1.26 -4.92 120.64 121.15 3kbt n GLU 1822Ca 0.06 0.98 -0.43 0.00 0.66 0.00 0.00 57.16 58.43 3kbt n GLU 1822Cb 0.54 -2.86 -0.02 0.00 0.27 0.00 0.00 31.44 29.37 3kbt n GLU 1822CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3kbt s ASP 1823N 2.52 7.10 -0.12 4.31 2.15 -1.26 -4.90 116.67 126.47 3kbt s ASP 1823Ca 0.82 1.58 0.15 0.00 0.43 0.00 0.00 52.55 55.53 3kbt s ASP 1823Cb -0.51 -2.55 0.27 0.00 -0.30 0.00 0.00 42.92 39.83 3kbt s ASP 1823CO 0.38 -0.60 1.14 1.33 -0.17 0.00 0.00 175.17 177.24 3kbt n VAL 1824N 4.94 1.54 -0.17 1.11 0.24 -1.26 -5.01 118.33 119.72 3kbt n VAL 1824Ca 0.11 -2.00 0.00 0.00 -2.04 0.00 0.00 64.34 60.41 3kbt n VAL 1824Cb 0.47 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 3kbt n VAL 1824CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kbt n GLY 1825N -1.04 1.85 3.56 7.63 0.00 -1.26 -4.99 105.19 110.93 3kbt n GLY 1825Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3kbt n GLY 1825CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kbt s LEU 1826N 0.00 3.34 0.00 0.99 1.02 -1.26 -5.35 118.68 117.42 3kbt s LEU 1826Ca 0.00 0.55 0.00 0.00 0.02 0.00 0.00 54.13 54.70 3kbt s LEU 1826Cb 0.00 -2.69 0.00 0.00 0.02 0.00 0.00 46.19 43.52 3kbt s LEU 1826CO 0.00 -2.31 0.00 -0.90 0.02 0.00 0.00 176.35 173.16 3kbt n ASP 1827N 12.59 0.00 -1.65 2.29 5.68 -1.26 -5.16 116.55 129.04 3kbt n ASP 1827Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 3kbt n ASP 1827Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3kbt n ASP 1827CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kbt n ALA 1840N 0.00 1.52 0.09 2.12 0.00 -1.26 -5.15 120.51 117.83 3kbt n ALA 1840Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 3kbt n ALA 1840Cb 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 19.45 17.69 3kbt n ALA 1840CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3kbt h PHE 1841N 3.27 0.88 -0.24 0.00 3.57 -2.03 -2.89 116.94 119.49 3kbt h PHE 1841Ca 0.00 -0.55 0.05 0.00 3.53 0.00 0.00 57.97 60.99 3kbt h PHE 1841Cb 0.01 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 3kbt h PHE 1841CO 0.32 1.40 -0.06 0.93 -2.23 0.00 0.00 178.31 178.67 3kbt h GLU 1842N 0.24 -0.00 -0.20 1.11 3.07 -2.05 -3.02 114.58 113.72 3kbt h GLU 1842Ca -0.16 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.66 3kbt h GLU 1842Cb 1.87 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.78 3kbt h GLU 1842CO 0.22 -0.00 -0.02 0.00 -1.40 0.00 0.00 179.01 177.81 3kbt h ARG 1843N -0.00 0.37 -0.94 2.33 3.08 -2.02 -3.26 114.38 113.95 3kbt h ARG 1843Ca 0.12 -0.13 0.24 0.00 0.07 0.00 0.00 59.98 60.27 3kbt h ARG 1843Cb 0.18 -0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.08 3kbt h ARG 1843CO -0.25 0.59 0.47 -0.44 -1.07 0.00 0.00 179.97 179.27 3kbt h ASP 1844N 0.12 0.45 -0.04 7.04 3.32 -1.39 -0.95 116.42 124.97 3kbt h ASP 1844Ca 0.06 0.15 -0.17 0.00 0.02 0.00 0.00 57.03 57.09 3kbt h ASP 1844Cb 0.44 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 3kbt h ASP 1844CO 0.01 0.02 -0.55 0.58 -1.72 0.00 0.00 179.24 177.59 3kbt h VAL 1845N 0.45 1.31 -0.69 -1.35 2.07 -1.59 0.17 116.25 116.62 3kbt h VAL 1845Ca 0.60 -1.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 3kbt h VAL 1845Cb 1.16 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 3kbt h VAL 1845CO -0.52 0.56 0.29 -0.74 0.02 0.00 0.00 177.57 177.18 3kbt h HIS 1846N 0.48 1.04 -0.10 1.57 -0.00 -1.27 0.12 115.15 117.00 3kbt h HIS 1846Ca 0.01 -0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 60.27 3kbt h HIS 1846Cb 1.11 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 28.20 3kbt h HIS 1846CO 0.05 0.80 -0.10 -0.07 -0.00 0.00 0.00 177.93 178.61 3kbt h LEU 1847N 0.98 0.26 -1.44 0.26 3.38 -1.10 -0.71 115.31 116.94 3kbt h LEU 1847Ca 0.23 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.80 3kbt h LEU 1847Cb 0.19 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3kbt h LEU 1847CO -0.02 0.69 0.46 0.25 0.09 0.00 0.00 178.44 179.91 3kbt h LEU 1848N -0.17 0.58 -1.03 1.67 5.85 -0.64 -0.21 115.31 121.35 3kbt h LEU 1848Ca 0.02 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3kbt h LEU 1848Cb 0.62 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 3kbt h LEU 1848CO 0.02 0.36 0.65 1.23 -0.34 0.00 0.00 178.44 180.36 3kbt h GLY 1849N 0.65 1.44 0.83 3.75 0.00 -0.15 -0.77 103.07 108.82 3kbt h GLY 1849Ca 0.31 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 3kbt h GLY 1849CO -0.11 0.42 0.03 -0.24 0.00 0.00 0.00 176.54 176.64 3kbt h VAL 1850N 1.24 1.23 -0.91 4.60 3.04 0.43 -1.97 116.25 123.92 3kbt h VAL 1850Ca 0.39 -0.76 0.15 0.00 -1.01 0.00 0.00 66.70 65.47 3kbt h VAL 1850Cb 0.01 1.35 -0.07 0.00 -2.01 0.00 0.00 31.29 30.57 3kbt h VAL 1850CO -0.12 0.23 0.58 -0.61 -1.01 0.00 0.00 177.57 176.64 3kbt h GLN 1851N 0.12 0.69 -0.28 4.17 4.15 -0.79 0.45 115.11 123.62 3kbt h GLN 1851Ca 0.06 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 3kbt h GLN 1851Cb 0.33 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3kbt h GLN 1851CO 0.01 0.46 -0.05 0.28 -1.93 0.00 0.00 178.83 177.59 3kbt h VAL 1852N 0.71 1.28 -0.85 2.39 2.07 -0.92 -2.26 116.25 118.66 3kbt h VAL 1852Ca 0.46 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.99 3kbt h VAL 1852Cb 0.73 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 3kbt h VAL 1852CO -0.22 0.34 0.53 -0.61 0.02 0.00 0.00 177.57 177.62 3kbt h GLN 1853N 0.29 0.92 0.25 1.57 5.75 -0.19 -0.22 115.11 123.48 3kbt h GLN 1853Ca 0.07 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3kbt h GLN 1853Cb 0.52 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.87 3kbt h GLN 1853CO 0.02 0.61 -0.12 1.96 -2.65 0.00 0.00 178.83 178.66 3kbt h GLN 1854N 0.95 -0.32 -0.73 1.69 7.50 -1.11 -2.17 115.11 120.92 3kbt h GLN 1854Ca 0.38 0.02 0.14 0.00 0.50 0.00 0.00 58.65 59.69 3kbt h GLN 1854Cb 0.19 0.07 -0.05 0.00 0.05 0.00 0.00 27.48 27.75 3kbt h GLN 1854CO -0.18 -0.19 0.49 0.35 -1.50 0.00 0.00 178.83 177.80 3kbt h PHE 1855N -0.36 0.49 -0.25 2.96 3.57 -0.79 0.48 116.94 123.03 3kbt h PHE 1855Ca -0.03 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 3kbt h PHE 1855Cb 0.28 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3kbt h PHE 1855CO -0.05 0.20 0.05 1.96 -2.23 0.00 0.00 178.31 178.24 3kbt h GLN 1856N 0.43 0.41 -0.73 1.11 4.20 -0.69 -2.43 115.11 117.40 3kbt h GLN 1856Ca 0.36 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 3kbt h GLN 1856Cb 0.78 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 3kbt h GLN 1856CO -0.11 0.52 0.43 -0.44 -0.67 0.00 0.00 178.83 178.56 3kbt h ASP 1857N 0.23 0.89 -0.86 1.46 3.32 -0.32 -2.66 116.42 118.48 3kbt h ASP 1857Ca 0.08 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3kbt h ASP 1857Cb 0.30 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3kbt h ASP 1857CO 0.00 0.70 0.45 0.58 -1.72 0.00 0.00 179.24 179.25 3kbt h VAL 1858N 1.00 1.26 -0.51 -1.35 2.07 -1.21 -2.36 116.25 115.16 3kbt h VAL 1858Ca 0.26 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3kbt h VAL 1858Cb -0.01 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 3kbt h VAL 1858CO -0.05 0.30 0.23 0.00 0.02 0.00 0.00 177.57 178.07 3kbt h ALA 1859N 1.24 0.65 -0.36 1.67 0.00 -1.10 -1.31 119.26 120.05 3kbt h ALA 1859Ca 0.30 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kbt h ALA 1859Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kbt h ALA 1859CO -0.04 0.23 -0.05 1.15 0.00 0.00 0.00 179.25 180.53 3kbt h THR 1860N 0.67 1.27 -0.18 0.00 2.02 -1.35 -1.97 112.91 113.38 3kbt h THR 1860Ca 0.17 -1.10 0.01 0.00 0.77 0.00 0.00 66.41 66.27 3kbt h THR 1860Cb 0.14 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3kbt h THR 1860CO -0.02 0.36 0.08 -0.09 0.37 0.00 0.00 175.52 176.22 3kbt h ARG 1861N 0.48 0.17 0.00 6.66 2.43 -1.28 -2.57 114.38 120.27 3kbt h ARG 1861Ca 0.10 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3kbt h ARG 1861Cb 0.55 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3kbt h ARG 1861CO 0.03 0.11 -0.14 1.25 -1.51 0.00 0.00 179.97 179.71 3kbt h LEU 1862N 0.17 0.00 -0.41 3.80 5.85 -1.20 -2.86 115.31 120.67 3kbt h LEU 1862Ca 0.08 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3kbt h LEU 1862Cb 0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3kbt h LEU 1862CO -0.06 0.14 0.01 -0.61 -0.34 0.00 0.00 178.44 177.58 3kbt h GLN 1863N 0.00 0.71 -0.70 1.25 4.15 -0.93 -2.85 115.11 116.75 3kbt h GLN 1863Ca -0.00 -0.22 0.18 0.00 0.77 0.00 0.00 58.65 59.38 3kbt h GLN 1863Cb 0.33 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 3kbt h GLN 1863CO 0.02 0.79 0.49 1.79 -1.93 0.00 0.00 178.83 179.99 3kbt h THR 1864N 0.55 0.70 0.00 2.39 1.35 -1.48 -1.92 112.91 114.49 3kbt h THR 1864Ca 0.12 -0.04 -0.16 0.00 -0.55 0.00 0.00 66.41 65.78 3kbt h THR 1864Cb 0.46 0.57 -0.02 0.00 -1.73 0.00 0.00 68.15 67.43 3kbt h THR 1864CO 0.02 0.02 -0.76 0.00 -0.25 0.00 0.00 175.52 174.55 3kbt h ALA 1865N 1.66 0.54 -1.49 6.62 0.00 -1.63 -3.47 119.26 121.49 3kbt h ALA 1865Ca 0.34 -0.69 -0.48 0.00 0.00 0.00 0.00 54.91 54.07 3kbt h ALA 1865Cb 1.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3kbt h ALA 1865CO -0.04 0.95 -0.36 0.71 0.00 0.00 0.00 179.25 180.52 3kbt s TYR 1866N -2.90 2.71 0.10 0.00 2.02 -0.72 -5.11 117.35 113.44 3kbt s TYR 1866Ca 0.02 -0.48 -0.18 0.00 -0.37 0.00 0.00 57.07 56.06 3kbt s TYR 1866Cb 0.09 -2.20 0.04 0.00 -0.40 0.00 0.00 41.96 39.49 3kbt s TYR 1866CO 0.78 -0.18 0.43 0.00 -1.57 0.00 0.00 175.55 175.02 3kbt s ALA 1867N -2.46 -1.04 0.00 3.71 0.00 -1.26 -4.79 121.76 115.92 3kbt s ALA 1867Ca 0.49 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.58 3kbt s ALA 1867Cb -0.04 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3kbt s ALA 1867CO 0.29 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3kbt n GLY 1868N -0.02 2.00 0.06 0.00 0.00 -1.26 -3.93 105.19 102.03 3kbt n GLY 1868Ca -0.17 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 3kbt n GLY 1868CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kbt h GLU 1869N 0.00 0.04 -0.82 1.61 3.07 -1.99 -2.68 114.58 113.81 3kbt h GLU 1869Ca 0.00 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 3kbt h GLU 1869Cb 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 3kbt h GLU 1869CO 0.00 0.30 0.40 0.87 -1.40 0.00 0.00 179.01 179.18 3kbt h LYS 1870N -0.22 1.17 -0.46 2.33 1.79 -2.00 -1.50 116.57 117.68 3kbt h LYS 1870Ca 0.01 -0.16 -0.09 0.00 -2.18 0.00 0.00 60.65 58.22 3kbt h LYS 1870Cb 0.28 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 3kbt h LYS 1870CO 0.00 0.89 -0.09 0.00 -1.08 0.00 0.00 179.45 179.17 3kbt h ALA 1871N 1.28 0.98 -0.21 3.86 0.00 -1.67 -2.64 119.26 120.86 3kbt h ALA 1871Ca 0.28 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3kbt h ALA 1871Cb 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kbt h ALA 1871CO -0.04 0.61 -0.17 1.49 0.00 0.00 0.00 179.25 181.15 3kbt h GLU 1872N 0.75 0.48 -0.90 0.00 4.81 -1.31 -1.94 114.58 116.47 3kbt h GLU 1872Ca 0.13 -0.24 0.20 0.00 -0.13 0.00 0.00 59.36 59.32 3kbt h GLU 1872Cb 0.58 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.89 3kbt h GLU 1872CO 0.04 0.80 0.59 0.00 -0.73 0.00 0.00 179.01 179.71 3kbt h ALA 1873N 0.67 2.16 -0.35 2.92 0.00 -1.10 0.64 119.26 124.21 3kbt h ALA 1873Ca 0.04 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3kbt h ALA 1873Cb 0.70 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3kbt h ALA 1873CO 0.04 -0.45 -0.25 0.82 0.00 0.00 0.00 179.25 179.42 3kbt h ILE 1874N 0.43 1.29 -0.28 0.00 2.04 -1.11 -2.39 117.51 117.49 3kbt h ILE 1874Ca 0.47 -1.40 -0.16 0.00 1.00 0.00 0.00 64.86 64.77 3kbt h ILE 1874Cb 1.13 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3kbt h ILE 1874CO -0.18 0.46 -0.46 -0.61 0.00 0.00 0.00 178.15 177.36 3kbt h GLN 1875N 0.57 0.80 -0.19 2.37 4.15 -0.17 -2.49 115.11 120.15 3kbt h GLN 1875Ca 0.07 -0.49 0.04 0.00 0.77 0.00 0.00 58.65 59.04 3kbt h GLN 1875Cb 0.81 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.51 3kbt h GLN 1875CO 0.07 1.12 -0.07 -0.91 -1.93 0.00 0.00 178.83 177.11 3kbt h ASN 1876N 0.56 -0.24 0.42 -0.69 2.35 0.18 0.16 115.58 118.32 3kbt h ASN 1876Ca 0.02 0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 3kbt h ASN 1876Cb 1.06 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 3kbt h ASN 1876CO 0.10 -0.09 -0.27 0.50 -1.65 0.00 0.00 177.43 176.03 3kbt h LYS 1877N -0.03 0.00 0.01 0.81 1.63 -1.46 0.15 116.57 117.68 3kbt h LYS 1877Ca 0.10 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3kbt h LYS 1877Cb 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3kbt h LYS 1877CO -0.22 0.27 -0.01 1.49 -3.45 0.00 0.00 179.45 177.53 3kbt h GLU 1878N 0.00 -0.02 -0.49 1.90 4.22 -0.78 -2.62 114.58 116.79 3kbt h GLU 1878Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 3kbt h GLU 1878Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3kbt h GLU 1878CO 0.03 0.52 0.22 1.96 -2.18 0.00 0.00 179.01 179.56 3kbt h GLN 1879N -0.56 0.72 -0.36 1.92 4.20 -0.33 0.54 115.11 121.24 3kbt h GLN 1879Ca -0.00 -0.12 0.08 0.00 0.06 0.00 0.00 58.65 58.67 3kbt h GLN 1879Cb 0.54 -0.12 -0.09 0.00 0.30 0.00 0.00 27.48 28.11 3kbt h GLN 1879CO 0.00 0.62 -0.28 1.49 -0.67 0.00 0.00 178.83 179.99 3kbt h GLU 1880N 0.65 -0.23 -0.63 1.46 4.81 -0.77 0.60 114.58 120.47 3kbt h GLU 1880Ca 0.17 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3kbt h GLU 1880Cb 0.15 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 3kbt h GLU 1880CO -0.02 -0.15 0.40 0.28 -0.73 0.00 0.00 179.01 178.79 3kbt h VAL 1881N -0.24 1.10 0.25 0.32 2.07 -1.06 -1.09 116.25 117.60 3kbt h VAL 1881Ca 0.17 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3kbt h VAL 1881Cb 0.51 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3kbt h VAL 1881CO -0.49 0.14 -0.17 0.28 0.02 0.00 0.00 177.57 177.35 3kbt h SER 1882N 0.79 -0.44 -0.59 0.57 0.02 0.98 -0.80 113.55 114.08 3kbt h SER 1882Ca 0.25 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.31 3kbt h SER 1882Cb -0.02 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 3kbt h SER 1882CO -0.09 -0.27 0.25 0.00 -1.14 0.00 0.00 176.83 175.58 3kbt h ALA 1883N 0.31 0.76 -0.85 3.77 0.00 0.37 -0.20 119.26 123.42 3kbt h ALA 1883Ca -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kbt h ALA 1883Cb 0.36 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3kbt h ALA 1883CO 0.01 -0.15 0.49 0.00 0.00 0.00 0.00 179.25 179.60 3kbt h ALA 1884N 1.38 1.09 -0.57 0.00 0.00 -0.97 -2.01 119.26 118.19 3kbt h ALA 1884Ca 0.29 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3kbt h ALA 1884Cb 0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kbt h ALA 1884CO -0.26 0.57 0.00 2.35 0.00 0.00 0.00 179.25 181.91 3kbt h TRP 1885N 1.18 1.10 -0.22 0.00 2.91 0.06 -2.97 115.95 118.00 3kbt h TRP 1885Ca 0.30 -0.19 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 3kbt h TRP 1885Cb -0.01 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.34 3kbt h TRP 1885CO 0.00 0.99 0.11 1.96 -1.03 0.00 0.00 178.44 180.47 3kbt h GLN 1886N 0.90 0.32 -0.90 2.65 1.08 -0.76 -2.27 115.11 116.14 3kbt h GLN 1886Ca 0.16 -0.04 0.22 0.00 -1.45 0.00 0.00 58.65 57.54 3kbt h GLN 1886Cb 0.55 -0.06 -0.13 0.00 -0.05 0.00 0.00 27.48 27.79 3kbt h GLN 1886CO 0.03 0.32 0.39 0.00 -0.95 0.00 0.00 178.83 178.62 3kbt h ALA 1887N 0.98 1.44 0.28 3.87 0.00 -1.26 0.11 119.26 124.67 3kbt h ALA 1887Ca 0.08 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3kbt h ALA 1887Cb 0.10 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kbt h ALA 1887CO -0.01 -0.35 -0.13 1.25 0.00 0.00 0.00 179.25 180.00 3kbt h LEU 1888N 0.39 -0.32 -0.40 0.00 5.85 -1.35 -2.70 115.31 116.77 3kbt h LEU 1888Ca 0.56 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 59.13 3kbt h LEU 1888Cb 1.07 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 3kbt h LEU 1888CO -0.53 0.08 0.10 0.25 -0.34 0.00 0.00 178.44 178.00 3kbt h LEU 1889N -0.78 0.06 -1.86 2.25 7.12 -0.73 -1.57 115.31 119.80 3kbt h LEU 1889Ca -0.04 0.06 0.12 0.00 0.13 0.00 0.00 57.88 58.16 3kbt h LEU 1889Cb 0.51 0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.68 3kbt h LEU 1889CO 0.06 0.07 0.36 0.44 -0.13 0.00 0.00 178.44 179.24 3kbt h ASP 1890N 0.24 0.14 -0.02 1.25 5.19 -0.88 -2.70 116.42 119.63 3kbt h ASP 1890Ca 0.19 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.40 3kbt h ASP 1890Cb 0.22 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 39.71 3kbt h ASP 1890CO -0.23 0.08 -0.77 0.00 -3.12 0.00 0.00 179.24 175.20 3kbt h ALA 1891N 1.74 0.40 0.00 3.45 0.00 -0.93 -3.51 119.26 120.41 3kbt h ALA 1891Ca 0.25 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3kbt h ALA 1891Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kbt h ALA 1891CO -0.03 0.71 0.00 0.00 0.00 0.00 0.00 179.25 179.93