#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm6 n PRO 1564N 0.00 3.21 -2.01 0.38 -0.04 -1.26 -4.95 135.00 130.33 3hm6 n PRO 1564Ca 0.00 -2.80 -0.42 0.00 -0.04 0.00 0.00 63.50 60.24 3hm6 n PRO 1564Cb 0.00 -3.12 -0.03 0.00 -0.04 0.00 0.00 33.50 30.32 3hm6 n PRO 1564CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3hm6 s PHE 1565N 2.23 3.12 0.42 0.54 0.40 -1.26 -0.08 117.98 123.36 3hm6 s PHE 1565Ca 0.48 0.74 -0.26 0.00 -0.60 0.00 0.00 56.93 57.30 3hm6 s PHE 1565Cb 0.14 -3.85 -0.09 0.00 0.51 0.00 0.00 43.02 39.73 3hm6 s PHE 1565CO -0.06 -3.07 1.39 -0.51 0.70 0.00 0.00 175.22 173.66 3hm6 s LEU 1566N 1.09 4.18 0.65 -0.37 1.43 0.20 -4.73 118.68 121.13 3hm6 s LEU 1566Ca 0.68 2.84 -0.18 0.00 -1.03 0.00 0.00 54.13 56.44 3hm6 s LEU 1566Cb -0.41 -3.89 -0.01 0.00 0.03 0.00 0.00 46.19 41.91 3hm6 s LEU 1566CO 0.31 -1.02 1.26 -1.81 0.23 0.00 0.00 176.35 175.32 3hm6 s ASP 1567N -0.55 4.64 0.27 2.29 1.01 -1.26 -4.76 116.67 118.31 3hm6 s ASP 1567Ca 0.58 2.51 0.01 0.00 0.71 0.00 0.00 52.55 56.36 3hm6 s ASP 1567Cb -0.42 -2.61 0.63 0.00 1.01 0.00 0.00 42.92 41.53 3hm6 s ASP 1567CO 0.54 -1.97 1.71 0.22 0.21 0.00 0.00 175.17 175.88 3hm6 h TYR 1568N 0.43 0.60 -0.89 4.23 3.20 -1.95 -1.70 116.97 120.89 3hm6 h TYR 1568Ca -0.50 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.41 3hm6 h TYR 1568Cb 1.32 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 3hm6 h TYR 1568CO 0.44 -0.00 0.56 -0.22 -1.64 0.00 0.00 178.16 177.29 3hm6 h LYS 1569N 0.42 1.19 -0.03 1.82 3.64 -1.91 0.00 116.57 121.71 3hm6 h LYS 1569Ca 0.51 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.70 3hm6 h LYS 1569Cb 0.89 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3hm6 h LYS 1569CO -0.49 0.82 -0.35 0.28 -2.27 0.00 0.00 179.45 177.44 3hm6 h VAL 1570N 1.22 1.47 -0.79 2.00 2.07 -1.70 -1.89 116.25 118.63 3hm6 h VAL 1570Ca 0.32 -1.88 0.14 0.00 0.82 0.00 0.00 66.70 66.11 3hm6 h VAL 1570Cb -0.09 2.56 -0.14 0.00 -1.52 0.00 0.00 31.29 32.09 3hm6 h VAL 1570CO -0.06 0.53 -0.28 0.22 0.02 0.00 0.00 177.57 177.99 3hm6 h TYR 1571N -0.28 -0.72 0.13 1.57 3.20 -1.27 -0.84 116.97 118.76 3hm6 h TYR 1571Ca -0.04 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3hm6 h TYR 1571Cb 1.05 0.44 0.00 0.00 1.54 0.00 0.00 36.73 39.76 3hm6 h TYR 1571CO 0.15 -0.37 -0.06 0.00 -1.64 0.00 0.00 178.16 176.23 3hm6 h ALA 1572N 1.48 -0.18 -0.66 1.82 0.00 -0.99 -1.71 119.26 119.02 3hm6 h ALA 1572Ca 0.34 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.21 3hm6 h ALA 1572Cb 0.59 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.32 3hm6 h ALA 1572CO -0.83 -0.44 -0.24 0.93 0.00 0.00 0.00 179.25 178.67 3hm6 h GLU 1573N -0.50 -0.06 -0.29 0.00 5.08 -1.13 0.18 114.58 117.85 3hm6 h GLU 1573Ca -0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 3hm6 h GLU 1573Cb 0.39 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3hm6 h GLU 1573CO 0.03 -0.04 -0.29 0.00 -1.00 0.00 0.00 179.01 177.71 3hm6 h ARG 1574N -0.07 0.60 0.06 2.33 3.08 -0.99 0.27 114.38 119.66 3hm6 h ARG 1574Ca 0.30 -0.25 -0.26 0.00 0.07 0.00 0.00 59.98 59.83 3hm6 h ARG 1574Cb 0.53 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.57 3hm6 h ARG 1574CO -0.71 0.82 -1.09 0.82 -1.07 0.00 0.00 179.97 178.74 3hm6 h ILE 1575N 0.52 1.38 -0.21 2.04 2.04 -1.05 -3.03 117.51 119.19 3hm6 h ILE 1575Ca 0.07 -2.57 -0.17 0.00 1.00 0.00 0.00 64.86 63.18 3hm6 h ILE 1575Cb 0.76 2.60 -0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3hm6 h ILE 1575CO 0.06 0.77 -0.56 -0.26 0.00 0.00 0.00 178.15 178.16 3hm6 h PHE 1576N 0.22 0.83 -2.16 1.37 0.05 -0.52 -3.35 116.94 113.38 3hm6 h PHE 1576Ca -0.12 -0.30 -0.58 0.00 3.82 0.00 0.00 57.97 60.78 3hm6 h PHE 1576Cb 1.76 -0.15 -0.41 0.00 2.00 0.00 0.00 35.95 39.14 3hm6 h PHE 1576CO 0.08 1.07 -0.74 1.19 -0.18 0.00 0.00 178.31 179.72 3hm6 n PHE 1577N -3.97 2.70 0.21 -0.55 3.01 0.07 -4.77 117.46 114.16 3hm6 n PHE 1577Ca -0.04 -3.99 0.06 0.00 1.01 0.00 0.00 57.45 54.50 3hm6 n PHE 1577Cb 0.62 -0.50 0.46 0.00 -0.01 0.00 0.00 39.48 40.05 3hm6 n PHE 1577CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3hm6 h PRO 1578N 3.85 0.00 -0.99 -1.08 0.13 -1.68 -3.16 132.00 129.07 3hm6 h PRO 1578Ca 0.15 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.11 3hm6 h PRO 1578Cb 0.70 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.72 3hm6 h PRO 1578CO 0.74 0.30 0.22 0.41 -0.23 0.00 0.00 178.00 179.43 3hm6 n GLY 1579N -0.31 2.83 0.00 1.56 0.00 -1.26 -5.07 105.19 102.93 3hm6 n GLY 1579Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3hm6 n GLY 1579CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hm6 n HIS 1580N -0.06 0.00 -4.20 1.61 8.25 -1.20 -5.15 115.22 114.48 3hm6 n HIS 1580Ca 0.20 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.32 3hm6 n HIS 1580Cb 0.89 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.90 3hm6 n HIS 1580CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hm6 s SER 1583N 1.00 5.28 0.02 0.41 0.15 -1.26 -5.17 113.70 114.13 3hm6 s SER 1583Ca 0.00 0.02 0.16 0.00 0.70 0.00 0.00 55.95 56.83 3hm6 s SER 1583Cb 0.00 -1.83 0.67 0.00 -1.71 0.00 0.00 66.02 63.15 3hm6 s SER 1583CO 0.00 0.21 1.50 -0.81 1.20 0.00 0.00 173.24 175.34 3hm6 n PRO 1584N 3.31 0.01 0.00 5.44 -0.04 -1.26 -1.95 135.00 140.51 3hm6 n PRO 1584Ca -0.17 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 3hm6 n PRO 1584Cb 0.53 -1.52 0.29 0.00 -0.04 0.00 0.00 33.50 32.75 3hm6 n PRO 1584CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hm6 n LEU 1585N -1.55 1.50 -3.69 1.53 4.77 -1.26 -4.38 117.00 113.92 3hm6 n LEU 1585Ca 0.04 -0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 55.12 3hm6 n LEU 1585Cb 0.18 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3hm6 n LEU 1585CO 0.15 0.27 2.01 1.41 -1.33 0.00 0.00 177.39 179.90 3hm6 n HIS 1586N -0.21 2.68 -3.99 -1.77 -0.00 -0.82 -4.80 115.22 106.31 3hm6 n HIS 1586Ca 0.13 -2.75 -0.08 0.00 -0.00 0.00 0.00 57.72 55.01 3hm6 n HIS 1586Cb 0.40 -1.75 -0.08 0.00 -0.00 0.00 0.00 29.99 28.55 3hm6 n HIS 1586CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 3hm6 s ARG 1587N -1.09 0.83 0.53 -0.41 1.70 -1.26 -4.96 118.95 114.29 3hm6 s ARG 1587Ca 0.45 -1.14 -0.20 0.00 -0.47 0.00 0.00 55.73 54.36 3hm6 s ARG 1587Cb 0.14 0.29 -0.06 0.00 -0.57 0.00 0.00 34.95 34.75 3hm6 s ARG 1587CO -0.04 -0.24 1.17 -0.51 -1.08 0.00 0.00 175.30 174.59 3hm6 s ASP 1588N -2.92 5.74 0.45 -2.89 1.11 -1.26 -4.93 116.67 111.96 3hm6 s ASP 1588Ca 0.10 2.28 0.14 0.00 0.18 0.00 0.00 52.55 55.26 3hm6 s ASP 1588Cb 0.06 -2.59 1.06 0.00 1.07 0.00 0.00 42.92 42.52 3hm6 s ASP 1588CO -0.07 -1.21 2.00 -0.07 1.18 0.00 0.00 175.17 176.99 3hm6 h LEU 1589N 1.41 0.32 0.96 1.23 3.38 -1.99 -3.46 115.31 117.16 3hm6 h LEU 1589Ca -0.50 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.29 3hm6 h LEU 1589Cb 1.27 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3hm6 h LEU 1589CO 0.58 0.20 -0.21 0.61 0.09 0.00 0.00 178.44 179.70 3hm6 n GLY 1590N -1.53 0.45 3.72 0.83 0.00 -1.26 -5.02 105.19 102.38 3hm6 n GLY 1590Ca 0.08 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 3hm6 n GLY 1590CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hm6 s VAL 1591N -2.42 4.86 0.46 1.61 1.01 -1.26 -5.08 120.40 119.58 3hm6 s VAL 1591Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 3hm6 s VAL 1591Cb 0.00 -3.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.17 3hm6 s VAL 1591CO 0.00 0.54 1.35 -2.16 0.00 0.00 0.00 175.10 174.84 3hm6 s PRO 1592N -0.36 3.67 0.28 2.72 0.04 -1.26 -4.76 135.00 135.34 3hm6 s PRO 1592Ca 0.09 2.25 0.02 0.00 0.04 0.00 0.00 61.00 63.40 3hm6 s PRO 1592Cb -0.12 -2.59 0.69 0.00 0.04 0.00 0.00 34.50 32.52 3hm6 s PRO 1592CO 0.02 -0.77 1.68 1.49 0.04 0.00 0.00 177.00 179.45 3hm6 h GLU 1593N 2.24 0.31 -0.34 4.56 4.81 -2.01 0.13 114.58 124.27 3hm6 h GLU 1593Ca -0.50 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 3hm6 h GLU 1593Cb 1.27 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 3hm6 h GLU 1593CO 0.61 0.20 0.10 0.66 -0.73 0.00 0.00 179.01 179.85 3hm6 h SER 1594N 0.31 0.44 0.89 1.04 4.64 -2.06 -2.99 113.55 115.83 3hm6 h SER 1594Ca 0.54 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3hm6 h SER 1594Cb 1.04 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3hm6 h SER 1594CO -0.57 0.44 -0.53 0.54 -0.87 0.00 0.00 176.83 175.84 3hm6 n ARG 1595N -4.37 0.25 0.09 4.77 5.12 0.41 -4.64 116.66 118.29 3hm6 n ARG 1595Ca 0.02 0.09 -0.12 0.00 -1.93 0.00 0.00 57.85 55.90 3hm6 n ARG 1595Cb 0.16 -1.67 -0.05 0.00 -1.16 0.00 0.00 32.46 29.74 3hm6 n ARG 1595CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 3hm6 h ARG 1596N 0.00 -0.35 -0.58 5.56 2.43 -1.29 -0.34 114.38 119.81 3hm6 h ARG 1596Ca 0.00 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3hm6 h ARG 1596Cb 0.71 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.27 3hm6 h ARG 1596CO 0.00 -0.23 0.21 -1.35 -1.51 0.00 0.00 179.97 177.09 3hm6 h PRO 1597N -0.37 0.38 0.16 0.20 0.11 -1.82 0.17 132.00 130.84 3hm6 h PRO 1597Ca 0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3hm6 h PRO 1597Cb 0.40 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3hm6 h PRO 1597CO -0.13 0.25 -0.08 1.15 -0.21 0.00 0.00 178.00 178.99 3hm6 h THR 1598N 0.39 0.92 -0.40 -1.15 2.02 -1.79 0.37 112.91 113.27 3hm6 h THR 1598Ca 0.29 -0.39 0.07 0.00 0.77 0.00 0.00 66.41 67.15 3hm6 h THR 1598Cb 0.34 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 3hm6 h THR 1598CO -0.29 0.09 0.03 0.58 0.37 0.00 0.00 175.52 176.31 3hm6 h VAL 1599N -0.41 0.73 -0.28 3.16 2.07 -0.85 -0.89 116.25 119.78 3hm6 h VAL 1599Ca -0.02 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 3hm6 h VAL 1599Cb 0.32 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3hm6 h VAL 1599CO 0.04 0.03 -0.20 -0.33 0.02 0.00 0.00 177.57 177.13 3hm6 h GLU 1600N 0.15 0.52 -0.77 1.57 5.08 -0.41 0.14 114.58 120.85 3hm6 h GLU 1600Ca 0.20 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3hm6 h GLU 1600Cb 0.27 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3hm6 h GLU 1600CO -0.30 0.69 0.50 0.37 -1.00 0.00 0.00 179.01 179.27 3hm6 h GLN 1601N 0.46 0.98 -0.48 2.33 4.15 0.12 0.35 115.11 123.02 3hm6 h GLN 1601Ca 0.08 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.33 3hm6 h GLN 1601Cb 0.60 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3hm6 h GLN 1601CO 0.04 0.65 -0.12 0.78 -1.93 0.00 0.00 178.83 178.24 3hm6 h GLY 1602N 1.01 0.97 1.20 2.39 0.00 -0.13 -2.34 103.07 106.16 3hm6 h GLY 1602Ca 0.29 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 3hm6 h GLY 1602CO -0.08 0.70 0.31 1.41 0.00 0.00 0.00 176.54 178.88 3hm6 h LEU 1603N 0.80 0.94 -0.27 3.11 3.38 -0.35 -0.67 115.31 122.25 3hm6 h LEU 1603Ca 0.13 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3hm6 h LEU 1603Cb 0.65 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3hm6 h LEU 1603CO 0.05 0.82 0.05 1.23 0.09 0.00 0.00 178.44 180.67 3hm6 h GLY 1604N 1.08 0.30 2.00 0.83 0.00 -0.71 -1.28 103.07 105.28 3hm6 h GLY 1604Ca 0.24 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.47 3hm6 h GLY 1604CO -0.03 -0.01 -0.41 1.46 0.00 0.00 0.00 176.54 177.55 3hm6 h GLN 1605N 0.14 0.00 -0.45 4.80 1.08 -1.04 -1.32 115.11 118.32 3hm6 h GLN 1605Ca 0.12 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.24 3hm6 h GLN 1605Cb 0.13 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3hm6 h GLN 1605CO -0.17 0.41 -0.05 1.25 -0.95 0.00 0.00 178.83 179.32 3hm6 h LEU 1606N 0.00 0.83 -0.23 1.46 5.85 -0.87 -0.25 115.31 122.09 3hm6 h LEU 1606Ca -0.00 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.44 3hm6 h LEU 1606Cb 0.84 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 3hm6 h LEU 1606CO 0.05 0.97 -0.14 -1.28 -0.34 0.00 0.00 178.44 177.70 3hm6 h SER 1607N 0.67 -0.47 -0.45 1.25 0.87 -0.69 0.65 113.55 115.38 3hm6 h SER 1607Ca 0.12 0.10 0.08 0.00 -1.23 0.00 0.00 61.79 60.87 3hm6 h SER 1607Cb 0.58 0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 62.71 3hm6 h SER 1607CO 0.03 -0.18 0.02 0.78 -0.53 0.00 0.00 176.83 176.96 3hm6 h ASN 1608N -0.13 -0.14 -0.78 6.23 2.35 -1.11 -2.69 115.58 119.32 3hm6 h ASN 1608Ca 0.13 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 56.00 3hm6 h ASN 1608Cb 0.32 0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 3hm6 h ASN 1608CO -0.31 -0.04 0.51 0.25 -1.65 0.00 0.00 177.43 176.19 3hm6 h LEU 1609N 0.14 0.86 -2.37 1.61 5.85 -0.49 -1.45 115.31 119.46 3hm6 h LEU 1609Ca 0.23 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hm6 h LEU 1609Cb 0.32 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3hm6 h LEU 1609CO -0.35 0.61 0.15 -0.07 -0.34 0.00 0.00 178.44 178.44 3hm6 h LEU 1610N 1.02 0.00 -0.06 2.25 3.38 -0.53 -0.22 115.31 121.15 3hm6 h LEU 1610Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3hm6 h LEU 1610Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hm6 h LEU 1610CO -0.08 0.00 -0.03 0.59 0.09 0.00 0.00 178.44 179.01 3hm6 n ASN 1611N -2.89 0.12 -4.62 -0.43 3.02 -0.55 -4.64 115.26 105.27 3hm6 n ASN 1611Ca -0.02 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 53.79 3hm6 n ASN 1611Cb 0.21 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 3hm6 n ASN 1611CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3hm6 s SER 1612N -2.51 6.77 0.28 6.41 0.15 -0.09 -4.93 113.70 119.78 3hm6 s SER 1612Ca 0.30 0.80 -0.01 0.00 0.70 0.00 0.00 55.95 57.73 3hm6 s SER 1612Cb 0.20 -2.47 0.44 0.00 -1.71 0.00 0.00 66.02 62.49 3hm6 s SER 1612CO 0.46 -0.76 1.89 0.50 1.20 0.00 0.00 173.24 176.54 3hm6 h LYS 1613N 8.16 1.11 -0.06 5.44 3.64 -1.87 -1.48 116.57 131.50 3hm6 h LYS 1613Ca -0.23 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3hm6 h LYS 1613Cb 1.08 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3hm6 h LYS 1613CO 0.96 0.73 0.02 1.25 -2.27 0.00 0.00 179.45 180.14 3hm6 h LEU 1614N 1.14 0.09 -0.08 5.20 5.85 -1.95 -1.53 115.31 124.03 3hm6 h LEU 1614Ca 0.42 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.98 3hm6 h LEU 1614Cb 0.17 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3hm6 h LEU 1614CO -0.16 0.25 -0.03 0.15 -0.34 0.00 0.00 178.44 178.30 3hm6 h PHE 1615N -0.07 -0.08 -0.64 1.25 3.57 -1.81 -1.85 116.94 117.30 3hm6 h PHE 1615Ca 0.02 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3hm6 h PHE 1615Cb 0.19 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3hm6 h PHE 1615CO -0.01 -0.06 0.16 1.25 -2.23 0.00 0.00 178.31 177.42 3hm6 h LEU 1616N -0.02 0.96 -0.51 0.59 5.85 -1.16 0.28 115.31 121.30 3hm6 h LEU 1616Ca 0.04 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 3hm6 h LEU 1616Cb 0.09 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3hm6 h LEU 1616CO -0.10 0.94 -0.05 0.71 -0.34 0.00 0.00 178.44 179.60 3hm6 h THR 1617N 0.94 1.27 -0.59 1.05 1.35 -1.29 -1.81 112.91 113.82 3hm6 h THR 1617Ca 0.20 -1.17 -0.03 0.00 -0.55 0.00 0.00 66.41 64.86 3hm6 h THR 1617Cb 0.35 1.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.74 3hm6 h THR 1617CO 0.00 0.41 0.26 0.11 -0.25 0.00 0.00 175.52 176.05 3hm6 h LYS 1618N 0.79 0.87 0.23 4.72 1.79 -1.03 -1.27 116.57 122.67 3hm6 h LYS 1618Ca 0.14 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 3hm6 h LYS 1618Cb 0.59 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3hm6 h LYS 1618CO 0.04 0.73 -0.14 0.35 -1.08 0.00 0.00 179.45 179.35 3hm6 h PHE 1619N 0.82 -0.36 -0.02 -1.35 3.57 -0.41 -0.59 116.94 118.61 3hm6 h PHE 1619Ca 0.20 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.72 3hm6 h PHE 1619Cb 0.16 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3hm6 h PHE 1619CO 0.01 -0.22 -0.09 0.82 -2.23 0.00 0.00 178.31 176.60 3hm6 h ILE 1620N -0.35 0.76 -0.51 1.41 2.04 -1.29 -1.98 117.51 117.58 3hm6 h ILE 1620Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3hm6 h ILE 1620Cb 0.29 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3hm6 h ILE 1620CO 0.02 0.00 0.29 -0.74 0.00 0.00 0.00 178.15 177.73 3hm6 h HIS 1621N -0.15 0.55 -0.31 1.37 2.76 -1.19 -2.03 115.15 116.14 3hm6 h HIS 1621Ca 0.04 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 3hm6 h HIS 1621Cb 0.21 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 3hm6 h HIS 1621CO -0.16 0.30 0.09 1.15 -1.30 0.00 0.00 177.93 178.01 3hm6 h THR 1622N 0.58 1.21 -0.58 6.26 2.02 -0.96 -1.70 112.91 119.73 3hm6 h THR 1622Ca 0.21 -0.68 0.03 0.00 0.77 0.00 0.00 66.41 66.73 3hm6 h THR 1622Cb 0.05 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 3hm6 h THR 1622CO -0.11 0.23 0.35 -0.07 0.37 0.00 0.00 175.52 176.30 3hm6 h LEU 1623N 0.34 0.58 -0.84 2.58 3.38 -1.27 -2.74 115.31 117.34 3hm6 h LEU 1623Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hm6 h LEU 1623Cb 0.26 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hm6 h LEU 1623CO -0.00 0.40 0.00 -0.33 0.09 0.00 0.00 178.44 178.60 3hm6 h GLU 1624N 0.70 0.00 0.00 1.13 5.08 -1.15 -1.76 114.58 118.58 3hm6 h GLU 1624Ca 0.23 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 3hm6 h GLU 1624Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3hm6 h GLU 1624CO -0.10 0.00 -0.32 1.15 -1.00 0.00 0.00 179.01 178.74 3hm6 h THR 1625N 0.00 0.72 -3.21 1.13 2.02 -1.00 -3.45 112.91 109.11 3hm6 h THR 1625Ca 0.00 -1.42 -0.54 0.00 0.77 0.00 0.00 66.41 65.22 3hm6 h THR 1625Cb 0.58 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 3hm6 h THR 1625CO 0.00 0.31 0.55 -1.10 0.37 0.00 0.00 175.52 175.65 3hm6 s GLN 1626N -3.55 4.44 0.18 6.66 -1.52 -0.66 -4.90 119.66 120.32 3hm6 s GLN 1626Ca 0.01 1.68 0.26 0.00 -1.95 0.00 0.00 55.36 55.36 3hm6 s GLN 1626Cb 0.10 -3.41 0.83 0.00 -0.22 0.00 0.00 33.01 30.31 3hm6 s GLN 1626CO 0.67 -0.25 1.77 0.54 -0.25 0.00 0.00 175.29 177.77 3hm6 n ARG 1627N 4.19 0.24 0.00 2.91 1.74 -1.26 -1.33 116.66 123.15 3hm6 n ARG 1627Ca 0.09 0.19 0.14 0.00 -0.77 0.00 0.00 57.85 57.50 3hm6 n ARG 1627Cb 0.47 -1.77 0.59 0.00 -1.02 0.00 0.00 32.46 30.74 3hm6 n ARG 1627CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hm6 n THR 1628N -2.18 0.00 -2.92 0.55 -2.24 -1.26 -4.76 114.28 101.47 3hm6 n THR 1628Ca 0.06 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 3hm6 n THR 1628Cb 0.42 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 3hm6 n THR 1628CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3hm6 s PHE 1629N -2.11 2.78 0.80 4.78 5.36 -0.44 -5.03 117.98 124.12 3hm6 s PHE 1629Ca 0.37 -0.70 -0.11 0.00 -0.96 0.00 0.00 56.93 55.53 3hm6 s PHE 1629Cb 0.21 -4.23 0.18 0.00 -0.34 0.00 0.00 43.02 38.84 3hm6 s PHE 1629CO 0.38 -1.56 1.09 -1.13 -1.46 0.00 0.00 175.22 172.55 3hm6 n SER 1630N 7.30 0.34 -0.11 6.13 3.41 -1.26 -4.81 113.62 124.62 3hm6 n SER 1630Ca -0.04 -1.55 -0.13 0.00 -0.26 0.00 0.00 58.87 56.89 3hm6 n SER 1630Cb 0.45 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 3hm6 n SER 1630CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hm6 h ALA 1631N -1.54 0.49 -0.43 7.33 0.00 -1.96 0.03 119.26 123.17 3hm6 h ALA 1631Ca -0.36 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.16 3hm6 h ALA 1631Cb 1.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3hm6 h ALA 1631CO 0.28 0.53 0.24 -0.09 0.00 0.00 0.00 179.25 180.20 3hm6 h ARG 1632N 0.58 0.46 -0.14 0.00 2.43 -1.93 -1.78 114.38 114.01 3hm6 h ARG 1632Ca 0.06 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3hm6 h ARG 1632Cb 0.89 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.29 3hm6 h ARG 1632CO 0.08 0.31 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.22 3hm6 h ASP 1633N 0.48 -0.58 -0.23 -3.80 3.32 -1.88 0.03 116.42 113.75 3hm6 h ASP 1633Ca 0.18 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3hm6 h ASP 1633Cb 0.05 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3hm6 h ASP 1633CO -0.10 -0.24 0.15 0.03 -1.72 0.00 0.00 179.24 177.36 3hm6 h ARG 1634N -0.23 0.30 -0.37 3.56 3.08 -0.83 0.18 114.38 120.08 3hm6 h ARG 1634Ca 0.10 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 3hm6 h ARG 1634Cb 0.38 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3hm6 h ARG 1634CO -0.27 0.20 -0.02 0.00 -1.07 0.00 0.00 179.97 178.81 3hm6 h ALA 1635N 1.08 1.29 -0.08 0.04 0.00 -1.27 -1.30 119.26 119.02 3hm6 h ALA 1635Ca 0.08 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3hm6 h ALA 1635Cb -0.03 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hm6 h ALA 1635CO -0.02 0.48 -0.61 -0.92 0.00 0.00 0.00 179.25 178.18 3hm6 h TYR 1636N 0.55 0.76 -0.76 0.00 3.20 -0.46 -2.85 116.97 117.42 3hm6 h TYR 1636Ca 0.11 -0.36 -0.05 0.00 3.14 0.00 0.00 58.73 61.57 3hm6 h TYR 1636Cb 0.38 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3hm6 h TYR 1636CO 0.01 1.16 0.27 0.28 -1.64 0.00 0.00 178.16 178.24 3hm6 h VAL 1637N 0.15 1.26 -0.72 1.81 2.07 -0.60 -0.50 116.25 119.72 3hm6 h VAL 1637Ca -0.05 -0.87 0.12 0.00 0.82 0.00 0.00 66.70 66.72 3hm6 h VAL 1637Cb 1.26 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 3hm6 h VAL 1637CO 0.12 0.35 0.32 0.00 0.02 0.00 0.00 177.57 178.38 3hm6 h ALA 1638N 1.17 1.00 -0.00 1.67 0.00 -1.24 -0.59 119.26 121.26 3hm6 h ALA 1638Ca 0.25 0.08 -0.21 0.00 0.00 0.00 0.00 54.91 55.04 3hm6 h ALA 1638Cb 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hm6 h ALA 1638CO -0.01 -0.14 -0.88 0.77 0.00 0.00 0.00 179.25 178.99 3hm6 h SER 1639N 0.51 0.37 -0.67 0.00 0.02 -1.21 -0.90 113.55 111.67 3hm6 h SER 1639Ca 0.38 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3hm6 h SER 1639Cb 0.49 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 3hm6 h SER 1639CO -0.33 1.08 0.30 -0.07 -1.14 0.00 0.00 176.83 176.67 3hm6 h LEU 1640N 0.16 0.91 -0.50 5.07 3.38 -0.71 -1.87 115.31 121.75 3hm6 h LEU 1640Ca -0.05 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3hm6 h LEU 1640Cb 1.51 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3hm6 h LEU 1640CO 0.14 0.81 0.06 -0.07 0.09 0.00 0.00 178.44 179.47 3hm6 h LEU 1641N 0.94 0.80 -0.02 1.67 3.38 -1.02 -0.71 115.31 120.36 3hm6 h LEU 1641Ca 0.23 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3hm6 h LEU 1641Cb 0.16 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3hm6 h LEU 1641CO -0.02 0.87 -0.25 0.74 0.09 0.00 0.00 178.44 179.86 3hm6 h THR 1642N 0.70 0.42 -0.41 0.22 2.02 -0.98 0.53 112.91 115.42 3hm6 h THR 1642Ca 0.15 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.33 3hm6 h THR 1642Cb 0.42 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3hm6 h THR 1642CO 0.01 0.00 0.26 0.58 0.37 0.00 0.00 175.52 176.75 3hm6 h VAL 1643N -0.38 1.09 -0.34 3.16 2.07 -1.32 -1.03 116.25 119.50 3hm6 h VAL 1643Ca 0.07 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3hm6 h VAL 1643Cb 0.47 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3hm6 h VAL 1643CO -0.24 0.10 0.12 0.00 0.02 0.00 0.00 177.57 177.57 3hm6 h ALA 1644N 1.15 1.57 -0.53 1.67 0.00 -0.81 -3.03 119.26 119.29 3hm6 h ALA 1644Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hm6 h ALA 1644Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hm6 h ALA 1644CO -0.04 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.82 3hm6 n LEU 1645N -4.39 4.27 0.21 0.00 4.77 0.15 -4.60 117.00 117.41 3hm6 n LEU 1645Ca 0.02 -2.45 0.09 0.00 -0.03 0.00 0.00 56.01 53.64 3hm6 n LEU 1645Cb 0.15 -0.51 0.41 0.00 -2.33 0.00 0.00 43.42 41.14 3hm6 n LEU 1645CO 0.37 0.78 0.77 -0.74 -1.33 0.00 0.00 177.39 177.24 3hm6 h HIS 1646N 3.32 0.00 0.00 -1.77 2.76 -1.07 -1.67 115.15 116.73 3hm6 h HIS 1646Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3hm6 h HIS 1646Cb 1.31 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.27 3hm6 h HIS 1646CO 0.62 0.25 0.00 0.41 -1.30 0.00 0.00 177.93 177.90 3hm6 n GLY 1647N 0.27 -1.24 2.44 5.26 0.00 -1.26 -4.12 105.19 106.52 3hm6 n GLY 1647Ca 0.00 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3hm6 n GLY 1647CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hm6 n LYS 1648N -2.07 1.77 0.22 1.61 5.02 -0.63 -4.89 118.16 119.20 3hm6 n LYS 1648Ca 0.03 -3.93 0.10 0.00 -2.02 0.00 0.00 58.31 52.49 3hm6 n LYS 1648Cb 0.23 -1.85 0.45 0.00 -0.02 0.00 0.00 35.03 33.84 3hm6 n LYS 1648CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3hm6 h LEU 1649N 3.25 0.00 -0.58 -0.35 3.38 -1.72 -1.15 115.31 118.15 3hm6 h LEU 1649Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3hm6 h LEU 1649Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3hm6 h LEU 1649CO 0.62 0.21 -0.27 -0.08 0.09 0.00 0.00 178.44 179.01 3hm6 h GLU 1650N 0.00 0.85 -0.15 1.13 4.81 -1.91 0.96 114.58 120.27 3hm6 h GLU 1650Ca -0.00 -0.38 -0.05 0.00 -0.13 0.00 0.00 59.36 58.80 3hm6 h GLU 1650Cb 0.76 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 3hm6 h GLU 1650CO 0.03 1.01 -0.12 -0.92 -0.73 0.00 0.00 179.01 178.28 3hm6 h TYR 1651N 0.73 0.41 -0.68 0.92 3.20 -1.86 -2.04 116.97 117.65 3hm6 h TYR 1651Ca 0.09 -0.12 0.12 0.00 3.14 0.00 0.00 58.73 61.96 3hm6 h TYR 1651Cb 0.81 -0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.91 3hm6 h TYR 1651CO 0.05 0.71 0.24 0.35 -1.64 0.00 0.00 178.16 177.87 3hm6 h PHE 1652N -0.01 0.41 -0.31 -3.82 3.57 -1.13 0.83 116.94 116.48 3hm6 h PHE 1652Ca 0.03 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3hm6 h PHE 1652Cb 0.63 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3hm6 h PHE 1652CO 0.08 0.06 -0.13 1.15 -2.23 0.00 0.00 178.31 177.23 3hm6 h THR 1653N 0.40 1.24 -0.49 4.41 2.02 -0.79 -0.49 112.91 119.21 3hm6 h THR 1653Ca 0.36 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 3hm6 h THR 1653Cb 0.52 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3hm6 h THR 1653CO -0.38 0.35 0.05 -0.78 0.37 0.00 0.00 175.52 175.14 3hm6 h ASP 1654N 0.50 0.80 -0.02 4.18 -0.00 -0.49 -0.84 116.42 120.55 3hm6 h ASP 1654Ca 0.09 -0.28 0.01 0.00 -0.00 0.00 0.00 57.03 56.86 3hm6 h ASP 1654Cb 0.52 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.62 3hm6 h ASP 1654CO 0.03 0.88 -0.06 0.40 -0.00 0.00 0.00 179.24 180.48 3hm6 h ILE 1655N 0.70 0.83 -0.87 2.25 1.08 -0.45 -1.97 117.51 119.07 3hm6 h ILE 1655Ca 0.15 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.72 3hm6 h ILE 1655Cb 0.43 0.83 -0.08 0.00 -3.07 0.00 0.00 36.82 34.94 3hm6 h ILE 1655CO 0.01 0.00 0.51 0.25 -0.69 0.00 0.00 178.15 178.23 3hm6 h LEU 1656N -0.10 0.73 -0.74 1.44 5.85 -0.98 -1.67 115.31 119.83 3hm6 h LEU 1656Ca 0.03 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3hm6 h LEU 1656Cb 0.15 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3hm6 h LEU 1656CO -0.08 0.41 0.19 -0.09 -0.34 0.00 0.00 178.44 178.52 3hm6 h ARG 1657N 0.83 1.14 -0.17 1.25 2.43 -0.90 0.72 114.38 119.69 3hm6 h ARG 1657Ca 0.42 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3hm6 h ARG 1657Cb 0.40 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3hm6 h ARG 1657CO -0.25 1.00 -0.02 1.15 -1.51 0.00 0.00 179.97 180.33 3hm6 h THR 1658N 1.09 1.27 -0.80 0.20 2.02 -0.92 -1.86 112.91 113.91 3hm6 h THR 1658Ca 0.23 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 3hm6 h THR 1658Cb 0.36 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 3hm6 h THR 1658CO 0.00 0.28 0.33 -0.07 0.37 0.00 0.00 175.52 176.43 3hm6 h LEU 1659N 0.03 1.10 -0.36 2.58 3.38 -1.24 -1.77 115.31 119.03 3hm6 h LEU 1659Ca 0.04 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hm6 h LEU 1659Cb 0.43 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3hm6 h LEU 1659CO 0.01 0.96 0.23 0.25 0.09 0.00 0.00 178.44 179.99 3hm6 h LEU 1660N 1.16 0.41 -0.87 1.67 5.85 -0.82 -0.57 115.31 122.15 3hm6 h LEU 1660Ca 0.27 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.08 3hm6 h LEU 1660Cb 0.20 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 3hm6 h LEU 1660CO -0.02 0.31 0.50 -1.28 -0.34 0.00 0.00 178.44 177.61 3hm6 h SER 1661N 0.48 0.71 -0.28 1.25 0.87 -1.08 0.58 113.55 116.07 3hm6 h SER 1661Ca 0.13 0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.56 3hm6 h SER 1661Cb -0.04 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3hm6 h SER 1661CO -0.03 0.38 -0.52 0.44 -0.53 0.00 0.00 176.83 176.58 3hm6 h ASP 1662N 0.81 0.96 -0.91 6.23 3.32 -1.12 -2.82 116.42 122.90 3hm6 h ASP 1662Ca 0.43 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3hm6 h ASP 1662Cb 0.44 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3hm6 h ASP 1662CO -0.27 1.30 0.55 0.25 -1.72 0.00 0.00 179.24 179.35 3hm6 h LEU 1663N 0.67 1.08 -0.47 1.55 5.85 -0.39 -1.01 115.31 122.60 3hm6 h LEU 1663Ca 0.02 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 3hm6 h LEU 1663Cb 1.12 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3hm6 h LEU 1663CO 0.12 0.83 -0.36 0.58 -0.34 0.00 0.00 178.44 179.26 3hm6 h VAL 1664N 1.24 1.28 -0.46 1.05 2.07 -0.90 0.10 116.25 120.62 3hm6 h VAL 1664Ca 0.33 -1.54 -0.09 0.00 0.82 0.00 0.00 66.70 66.22 3hm6 h VAL 1664Cb -0.06 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3hm6 h VAL 1664CO -0.06 0.51 -0.09 0.00 0.02 0.00 0.00 177.57 177.95 3hm6 h ALA 1665N 0.86 0.98 -0.16 1.67 0.00 -1.33 -0.57 119.26 120.71 3hm6 h ALA 1665Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3hm6 h ALA 1665Cb 0.94 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hm6 h ALA 1665CO 0.09 0.61 0.04 1.96 0.00 0.00 0.00 179.25 181.95 3hm6 h GLN 1666N 0.75 0.25 0.00 0.00 4.20 -0.98 -3.28 115.11 116.05 3hm6 h GLN 1666Ca 0.13 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 3hm6 h GLN 1666Cb 0.58 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3hm6 h GLN 1666CO 0.04 0.39 -0.53 1.88 -0.67 0.00 0.00 178.83 179.93 3hm6 h TYR 1667N 0.06 0.00 0.00 2.96 -1.99 -0.82 -2.94 116.97 114.25 3hm6 h TYR 1667Ca 0.05 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 3hm6 h TYR 1667Cb 0.25 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.98 3hm6 h TYR 1667CO 0.01 0.53 -0.14 0.28 -0.00 0.00 0.00 178.16 178.83 3hm6 h VAL 1668N 0.00 1.07 -0.01 -2.88 2.07 -1.18 -1.30 116.25 114.02 3hm6 h VAL 1668Ca -0.01 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3hm6 h VAL 1668Cb 1.20 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3hm6 h VAL 1668CO 0.07 0.14 -0.16 0.00 0.02 0.00 0.00 177.57 177.64 3hm6 n ALA 1669N -2.50 2.88 -2.70 1.67 0.00 -1.12 -4.77 120.51 113.97 3hm6 n ALA 1669Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3hm6 n ALA 1669Cb 0.21 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3hm6 n ALA 1669CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hm6 n LYS 1670N -0.43 0.00 -3.77 0.00 5.02 -0.71 -5.07 118.16 113.20 3hm6 n LYS 1670Ca 0.15 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.08 3hm6 n LYS 1670Cb 0.34 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.23 3hm6 n LYS 1670CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3hm6 s ASN 1671N 0.41 5.27 0.64 4.39 3.84 -1.18 -4.99 114.94 123.31 3hm6 s ASN 1671Ca 0.00 -2.03 0.37 0.00 0.21 0.00 0.00 52.86 51.41 3hm6 s ASN 1671Cb 0.00 -1.83 2.04 0.00 -0.55 0.00 0.00 41.25 40.91 3hm6 s ASN 1671CO 0.00 -0.55 2.15 1.55 -2.79 0.00 0.00 177.10 177.46 3hm6 h PRO 1672N 8.05 0.00 0.00 0.43 0.13 -1.57 -0.31 132.00 138.73 3hm6 h PRO 1672Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3hm6 h PRO 1672Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3hm6 h PRO 1672CO 0.70 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.10 3hm6 n LYS 1673N -2.94 0.09 -0.13 0.86 5.02 -1.26 -2.77 118.16 117.03 3hm6 n LYS 1673Ca -0.02 0.23 0.11 0.00 -2.02 0.00 0.00 58.31 56.60 3hm6 n LYS 1673Cb 0.18 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.86 3hm6 n LYS 1673CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hm6 n LEU 1674N -1.38 3.15 -4.77 -0.35 4.77 -0.13 -4.96 117.00 113.33 3hm6 n LEU 1674Ca 0.04 -1.39 -0.38 0.00 -0.03 0.00 0.00 56.01 54.25 3hm6 n LEU 1674Cb 0.11 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 3hm6 n LEU 1674CO 0.10 0.65 0.70 -0.32 -1.33 0.00 0.00 177.39 177.19 3hm6 s MET 1675N -1.46 4.52 -1.23 3.23 1.75 -1.12 -3.29 119.30 121.71 3hm6 s MET 1675Ca 0.32 1.50 0.00 0.00 -1.25 0.00 0.00 55.69 56.26 3hm6 s MET 1675Cb 0.20 -2.88 0.00 0.00 2.84 0.00 0.00 34.83 34.98 3hm6 s MET 1675CO 0.28 0.19 0.00 1.28 -0.65 0.00 0.00 175.02 176.11 3hm6 n LEU 1676N 0.66 -1.34 0.25 4.11 4.77 -1.26 -4.80 117.00 119.39 3hm6 n LEU 1676Ca 0.02 0.15 0.16 0.00 -0.03 0.00 0.00 56.01 56.30 3hm6 n LEU 1676Cb 0.48 -2.34 0.58 0.00 -2.33 0.00 0.00 43.42 39.81 3hm6 n LEU 1676CO 0.47 -0.15 0.95 0.03 -1.33 0.00 0.00 177.39 177.36 3hm6 h ARG 1677N 0.00 0.00 0.00 3.23 2.47 -1.88 -3.45 114.38 114.76 3hm6 h ARG 1677Ca -0.34 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.09 3hm6 h ARG 1677Cb 1.25 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.51 3hm6 h ARG 1677CO 0.40 0.00 -0.25 0.54 0.56 0.00 0.00 179.97 181.22 3hm6 n ARG 1678N -2.99 0.59 -3.19 0.04 1.74 -1.26 -5.07 116.66 106.51 3hm6 n ARG 1678Ca 0.01 -1.82 -0.24 0.00 -0.77 0.00 0.00 57.85 55.03 3hm6 n ARG 1678Cb 0.34 1.13 -0.06 0.00 -1.02 0.00 0.00 32.46 32.86 3hm6 n ARG 1678CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hm6 n THR 1679N -0.44 1.27 -0.01 0.55 -1.04 -1.26 -4.85 114.28 108.49 3hm6 n THR 1679Ca -0.01 -4.89 0.00 0.00 -2.04 0.00 0.00 64.05 57.11 3hm6 n THR 1679Cb 0.33 -1.50 -0.05 0.00 -1.82 0.00 0.00 70.33 67.29 3hm6 n THR 1679CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hm6 n GLU 1680N 0.58 1.59 -3.73 -2.82 1.02 -1.26 -4.82 120.64 111.20 3hm6 n GLU 1680Ca 0.27 -0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 57.18 3hm6 n GLU 1680Cb 0.49 -1.14 -0.02 0.00 -0.02 0.00 0.00 31.44 30.75 3hm6 n GLU 1680CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hm6 s THR 1681N -2.28 4.52 0.10 2.62 -4.23 -1.26 -4.42 115.64 110.69 3hm6 s THR 1681Ca -0.02 -1.05 -0.22 0.00 -1.18 0.00 0.00 61.69 59.22 3hm6 s THR 1681Cb 0.03 -3.57 -0.11 0.00 1.34 0.00 0.00 72.50 70.19 3hm6 s THR 1681CO 0.24 -0.24 1.74 0.58 -0.54 0.00 0.00 174.62 176.40 3hm6 h VAL 1682N 1.06 0.97 -0.92 2.29 2.07 -1.95 -2.16 116.25 117.61 3hm6 h VAL 1682Ca -0.48 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 3hm6 h VAL 1682Cb 1.24 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3hm6 h VAL 1682CO 0.57 0.01 0.56 1.62 0.02 0.00 0.00 177.57 180.35 3hm6 h VAL 1683N 0.05 1.25 -0.60 2.57 3.04 -1.96 0.28 116.25 120.89 3hm6 h VAL 1683Ca 0.03 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 3hm6 h VAL 1683Cb 0.02 -0.05 -0.03 0.00 -2.01 0.00 0.00 31.29 29.22 3hm6 h VAL 1683CO -0.04 0.26 0.38 -0.33 -1.01 0.00 0.00 177.57 176.83 3hm6 h GLU 1684N 1.27 0.80 -0.10 4.17 5.08 -1.85 -1.97 114.58 121.97 3hm6 h GLU 1684Ca 0.33 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.45 3hm6 h GLU 1684Cb -0.06 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 3hm6 h GLU 1684CO -0.06 0.55 -0.68 -0.22 -1.00 0.00 0.00 179.01 177.59 3hm6 h LYS 1685N 0.81 0.44 -0.77 2.33 1.63 -0.75 -2.52 116.57 117.74 3hm6 h LYS 1685Ca 0.22 -0.33 0.06 0.00 -0.85 0.00 0.00 60.65 59.75 3hm6 h LYS 1685Cb -0.06 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.57 3hm6 h LYS 1685CO -0.04 0.96 0.45 -0.07 -3.45 0.00 0.00 179.45 177.30 3hm6 h LEU 1686N 0.31 0.69 -0.10 5.20 3.38 -0.29 -2.05 115.31 122.45 3hm6 h LEU 1686Ca -0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hm6 h LEU 1686Cb 1.25 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hm6 h LEU 1686CO 0.12 0.44 0.05 0.25 0.09 0.00 0.00 178.44 179.39 3hm6 h LEU 1687N 0.82 0.13 -0.58 1.67 5.85 -1.27 0.53 115.31 122.46 3hm6 h LEU 1687Ca 0.34 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 59.07 3hm6 h LEU 1687Cb 0.20 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 3hm6 h LEU 1687CO -0.18 0.19 0.08 0.74 -0.34 0.00 0.00 178.44 178.93 3hm6 h THR 1688N 0.05 0.61 -0.52 1.05 2.02 -1.35 0.20 112.91 114.97 3hm6 h THR 1688Ca 0.03 -0.07 -0.12 0.00 0.77 0.00 0.00 66.41 67.02 3hm6 h THR 1688Cb 0.10 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3hm6 h THR 1688CO -0.00 0.04 -0.14 0.78 0.37 0.00 0.00 175.52 176.56 3hm6 h ASN 1689N 0.20 1.03 0.03 4.18 2.35 -1.15 -1.42 115.58 120.80 3hm6 h ASN 1689Ca 0.30 -0.37 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3hm6 h ASN 1689Cb 0.46 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3hm6 h ASN 1689CO -0.43 1.16 -0.01 -0.25 -1.65 0.00 0.00 177.43 176.25 3hm6 h TRP 1690N 0.89 -0.04 -0.53 1.19 7.01 -0.44 -0.23 115.95 123.79 3hm6 h TRP 1690Ca 0.13 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.20 3hm6 h TRP 1690Cb 0.72 0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.73 3hm6 h TRP 1690CO 0.05 0.12 0.20 0.52 -2.79 0.00 0.00 178.44 176.54 3hm6 h MET 1691N -0.19 0.38 -0.59 2.65 2.86 -0.96 -1.77 114.93 117.30 3hm6 h MET 1691Ca -0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3hm6 h MET 1691Cb 0.18 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3hm6 h MET 1691CO 0.01 0.25 0.33 0.77 1.06 0.00 0.00 176.91 179.32 3hm6 h SER 1692N 0.39 0.74 0.28 1.22 0.02 -0.99 -0.33 113.55 114.88 3hm6 h SER 1692Ca 0.26 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3hm6 h SER 1692Cb 0.27 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3hm6 h SER 1692CO -0.25 0.62 -0.16 0.40 -1.14 0.00 0.00 176.83 176.30 3hm6 h ILE 1693N 0.81 0.66 0.00 3.27 2.04 -0.89 -2.70 117.51 120.70 3hm6 h ILE 1693Ca 0.21 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.98 3hm6 h ILE 1693Cb 0.05 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3hm6 h ILE 1693CO -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 178.15 177.69 3hm6 n LEU 1695N -3.94 3.35 -0.13 0.00 4.77 -0.15 -4.52 117.00 116.37 3hm6 n LEU 1695Ca -0.02 -1.40 -0.04 0.00 -0.03 0.00 0.00 56.01 54.53 3hm6 n LEU 1695Cb 0.46 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 3hm6 n LEU 1695CO 0.39 0.70 0.86 0.22 -1.33 0.00 0.00 177.39 178.23 3hm6 h TYR 1696N 4.45 -0.00 0.00 -1.77 3.20 -1.38 -1.89 116.97 119.57 3hm6 h TYR 1696Ca 0.00 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 3hm6 h TYR 1696Cb 0.97 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 3hm6 h TYR 1696CO 0.21 -0.08 -0.61 1.79 -1.64 0.00 0.00 178.16 177.83 3hm6 h THR 1697N 0.12 1.11 -0.67 1.81 1.35 -1.84 -1.49 112.91 113.31 3hm6 h THR 1697Ca 0.21 -2.40 -0.02 0.00 -0.55 0.00 0.00 66.41 63.65 3hm6 h THR 1697Cb 0.31 2.44 -0.03 0.00 -1.73 0.00 0.00 68.15 69.13 3hm6 h THR 1697CO -0.35 0.60 0.34 0.15 -0.25 0.00 0.00 175.52 176.01 3hm6 h PHE 1698N 0.00 0.95 -0.17 4.73 3.57 -1.76 0.51 116.94 124.76 3hm6 h PHE 1698Ca -0.01 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 3hm6 h PHE 1698Cb 1.39 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 3hm6 h PHE 1698CO 0.00 0.70 0.06 0.28 -2.23 0.00 0.00 178.31 177.11 3hm6 h VAL 1699N 0.92 1.18 -0.85 1.41 2.07 -1.20 0.25 116.25 120.04 3hm6 h VAL 1699Ca 0.23 -0.56 0.13 0.00 0.82 0.00 0.00 66.70 67.33 3hm6 h VAL 1699Cb 0.09 1.23 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 3hm6 h VAL 1699CO -0.03 0.17 0.45 -0.09 0.02 0.00 0.00 177.57 178.10 3hm6 h ARG 1700N 0.11 0.65 0.15 1.57 9.65 -1.04 0.41 114.38 125.89 3hm6 h ARG 1700Ca 0.06 -0.04 -0.34 0.00 -1.10 0.00 0.00 59.98 58.55 3hm6 h ARG 1700Cb 0.22 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 28.65 3hm6 h ARG 1700CO -0.00 0.43 -1.77 -0.44 2.80 0.00 0.00 179.97 180.99 3hm6 h ASP 1701N 0.67 0.51 0.00 -3.80 3.32 0.23 -3.43 116.42 113.92 3hm6 h ASP 1701Ca 0.45 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3hm6 h ASP 1701Cb 0.59 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3hm6 h ASP 1701CO -0.33 1.78 -0.63 -1.54 -1.72 0.00 0.00 179.24 176.80 3hm6 n SER 1702N -3.63 0.69 0.16 6.45 3.41 0.86 -4.88 113.62 116.68 3hm6 n SER 1702Ca -0.27 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.38 3hm6 n SER 1702Cb 1.03 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 65.10 3hm6 n SER 1702CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3hm6 h VAL 1703N 0.00 0.80 -0.45 -3.33 2.07 -1.41 -3.35 116.25 110.59 3hm6 h VAL 1703Ca 0.00 -1.98 -0.07 0.00 0.82 0.00 0.00 66.70 65.47 3hm6 h VAL 1703Cb 0.63 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 3hm6 h VAL 1703CO 0.00 0.43 -0.01 1.23 0.02 0.00 0.00 177.57 179.24 3hm6 h GLY 1704N 3.19 0.79 0.58 2.17 0.00 -0.43 -1.08 103.07 108.29 3hm6 h GLY 1704Ca -0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 3hm6 h GLY 1704CO 0.06 0.49 -0.28 -2.09 0.00 0.00 0.00 176.54 174.72 3hm6 h GLU 1705N 0.69 -0.75 -0.40 4.80 4.57 -1.80 -1.51 114.58 120.19 3hm6 h GLU 1705Ca 0.14 0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 3hm6 h GLU 1705Cb 0.44 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 3hm6 h GLU 1705CO 0.02 -0.50 0.13 -1.00 -1.18 0.00 0.00 179.01 176.48 3hm6 h PRO 1706N -0.79 0.58 -0.73 0.92 0.13 -1.75 -1.10 132.00 129.25 3hm6 h PRO 1706Ca -0.08 -0.08 -0.06 0.00 -0.87 0.00 0.00 66.00 64.91 3hm6 h PRO 1706Cb 0.60 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 3hm6 h PRO 1706CO 0.13 0.50 0.23 1.25 -0.23 0.00 0.00 178.00 179.88 3hm6 h LEU 1707N 0.57 1.07 -0.26 1.56 5.85 -1.22 -1.76 115.31 121.11 3hm6 h LEU 1707Ca 0.14 -0.21 -0.21 0.00 0.84 0.00 0.00 57.88 58.44 3hm6 h LEU 1707Cb 0.16 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3hm6 h LEU 1707CO -0.01 1.00 -0.72 0.22 -0.34 0.00 0.00 178.44 178.59 3hm6 h TYR 1708N 1.09 0.94 -0.45 1.25 3.20 -1.02 -2.15 116.97 119.83 3hm6 h TYR 1708Ca 0.24 -0.40 0.08 0.00 3.14 0.00 0.00 58.73 61.79 3hm6 h TYR 1708Cb 0.31 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 3hm6 h TYR 1708CO 0.03 1.21 0.06 0.52 -1.64 0.00 0.00 178.16 178.33 3hm6 h MET 1709N 0.50 0.17 -0.19 1.82 2.86 -1.12 0.37 114.93 119.35 3hm6 h MET 1709Ca -0.03 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3hm6 h MET 1709Cb 1.32 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.92 3hm6 h MET 1709CO 0.14 0.12 0.06 1.25 1.06 0.00 0.00 176.91 179.54 3hm6 h LEU 1710N 0.18 0.06 -0.09 1.22 5.85 -1.26 0.24 115.31 121.51 3hm6 h LEU 1710Ca 0.22 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.00 3hm6 h LEU 1710Cb 0.30 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3hm6 h LEU 1710CO -0.32 0.06 -0.13 0.15 -0.34 0.00 0.00 178.44 177.86 3hm6 h PHE 1711N 0.15 -0.33 -0.09 1.25 3.57 -0.93 -0.44 116.94 120.13 3hm6 h PHE 1711Ca 0.08 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 3hm6 h PHE 1711Cb 0.06 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3hm6 h PHE 1711CO -0.12 -0.19 -0.29 0.00 -2.23 0.00 0.00 178.31 175.48 3hm6 h ARG 1712N -0.17 0.16 -0.16 1.11 -0.00 -0.70 -0.71 114.38 113.91 3hm6 h ARG 1712Ca 0.08 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.98 59.46 3hm6 h ARG 1712Cb 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.24 3hm6 h ARG 1712CO -0.20 0.44 -0.07 0.78 0.00 0.00 0.00 179.97 180.92 3hm6 h GLY 1713N 0.98 0.35 0.87 0.04 0.00 -0.00 -1.69 103.07 103.62 3hm6 h GLY 1713Ca 0.02 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.06 3hm6 h GLY 1713CO 0.04 0.28 0.34 -2.22 0.00 0.00 0.00 176.54 174.99 3hm6 h ILE 1714N 0.00 1.06 -0.22 2.60 2.04 -0.96 -2.15 117.51 119.89 3hm6 h ILE 1714Ca 0.04 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3hm6 h ILE 1714Cb 0.54 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3hm6 h ILE 1714CO 0.02 0.12 0.14 0.50 0.00 0.00 0.00 178.15 178.94 3hm6 h LYS 1715N 0.68 0.29 -0.25 2.37 3.64 -1.08 -2.03 116.57 120.19 3hm6 h LYS 1715Ca 0.23 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.45 3hm6 h LYS 1715Cb 0.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3hm6 h LYS 1715CO -0.10 0.21 -0.40 0.45 -2.27 0.00 0.00 179.45 177.35 3hm6 h HIS 1716N 0.28 0.71 -0.34 1.91 3.86 -1.23 -1.82 115.15 118.52 3hm6 h HIS 1716Ca 0.08 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 59.04 3hm6 h HIS 1716Cb -0.01 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 3hm6 h HIS 1716CO -0.06 0.90 0.03 1.96 0.86 0.00 0.00 177.93 181.63 3hm6 h GLN 1717N 0.49 0.58 0.06 2.45 1.08 -1.32 -2.97 115.11 115.48 3hm6 h GLN 1717Ca 0.04 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.07 3hm6 h GLN 1717Cb 0.90 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 3hm6 h GLN 1717CO 0.08 0.68 -0.03 0.28 -0.95 0.00 0.00 178.83 178.89 3hm6 h VAL 1718N 0.40 1.09 -0.09 -0.54 2.07 -1.29 -2.83 116.25 115.07 3hm6 h VAL 1718Ca 0.10 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.12 3hm6 h VAL 1718Cb 0.40 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3hm6 h VAL 1718CO 0.01 0.13 0.37 0.44 0.02 0.00 0.00 177.57 178.55 3hm6 h ASP 1719N -0.32 0.00 1.53 0.57 3.32 -1.40 -0.48 116.42 119.63 3hm6 h ASP 1719Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hm6 h ASP 1719Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3hm6 h ASP 1719CO 0.01 0.00 0.00 0.11 -1.72 0.00 0.00 179.24 177.64 3hm6 h LYS 1720N 0.00 0.00 -5.40 3.56 1.57 -1.33 -3.45 116.57 111.52 3hm6 h LYS 1720Ca 0.04 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.23 3hm6 h LYS 1720Cb 0.79 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.96 3hm6 h LYS 1720CO -0.00 0.00 -0.58 0.20 -0.57 0.00 0.00 179.45 178.50 3hm6 s GLY 1721N -3.92 2.50 0.25 3.86 0.00 -0.19 -5.02 107.32 104.80 3hm6 s GLY 1721Ca 0.07 -1.78 -0.31 0.00 0.00 0.00 0.00 44.72 42.70 3hm6 s GLY 1721CO 0.59 -2.02 1.56 -1.05 0.00 0.00 0.00 173.10 172.18 3hm6 n PRO 1722N -0.94 2.46 -4.25 2.90 -0.02 -1.26 -4.85 135.00 129.03 3hm6 n PRO 1722Ca -0.07 0.88 -0.28 0.00 -2.02 0.00 0.00 63.50 62.00 3hm6 n PRO 1722Cb 0.67 -2.63 -0.17 0.00 -0.02 0.00 0.00 33.50 31.35 3hm6 n PRO 1722CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hm6 s VAL 1723N 0.24 1.41 -0.32 -1.45 1.01 -1.26 -1.47 120.40 118.56 3hm6 s VAL 1723Ca 0.68 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.83 3hm6 s VAL 1723Cb -0.56 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.51 3hm6 s VAL 1723CO 0.45 0.43 0.94 -0.62 0.00 0.00 0.00 175.10 176.30 3hm6 s ASP 1724N 1.22 6.80 0.42 3.32 -1.08 0.11 -4.92 116.67 122.54 3hm6 s ASP 1724Ca -0.02 0.85 0.23 0.00 -0.52 0.00 0.00 52.55 53.08 3hm6 s ASP 1724Cb -0.14 -2.48 0.79 0.00 -1.46 0.00 0.00 42.92 39.64 3hm6 s ASP 1724CO -0.05 -0.77 1.77 0.77 0.52 0.00 0.00 175.17 177.42 3hm6 h SER 1725N 8.13 0.00 0.00 -0.34 4.64 -1.94 0.42 113.55 124.46 3hm6 h SER 1725Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3hm6 h SER 1725Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3hm6 h SER 1725CO 0.97 0.26 -0.10 0.58 -0.87 0.00 0.00 176.83 177.67 3hm6 h VAL 1726N 0.00 0.00 0.00 0.95 2.07 -1.94 -3.38 116.25 113.95 3hm6 h VAL 1726Ca -0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3hm6 h VAL 1726Cb 0.83 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3hm6 h VAL 1726CO 0.03 0.00 0.00 0.71 0.02 0.00 0.00 177.57 178.33 3hm6 h THR 1727N -0.82 0.00 0.00 2.57 1.35 -1.89 -3.47 112.91 110.65 3hm6 h THR 1727Ca 0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3hm6 h THR 1727Cb 0.10 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3hm6 h THR 1727CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3hm6 n GLY 1728N 0.83 0.78 3.80 5.82 0.00 0.15 -5.02 105.19 111.54 3hm6 n GLY 1728Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3hm6 n GLY 1728CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hm6 s LYS 1729N -0.19 3.73 0.04 1.61 1.02 -1.24 -4.61 119.74 120.10 3hm6 s LYS 1729Ca 0.00 1.33 0.03 0.00 0.02 0.00 0.00 55.97 57.35 3hm6 s LYS 1729Cb 0.00 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 3hm6 s LYS 1729CO 0.00 -0.49 -0.09 0.00 -0.92 0.00 0.00 175.35 173.85 3hm6 s ALA 1730N -2.06 0.66 0.06 5.17 0.00 0.52 0.09 121.76 126.20 3hm6 s ALA 1730Ca 0.67 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.67 3hm6 s ALA 1730Cb -0.16 -0.01 -0.15 0.00 0.00 0.00 0.00 23.12 22.80 3hm6 s ALA 1730CO 0.23 0.04 1.58 -0.22 0.00 0.00 0.00 175.76 177.38 3hm6 h LYS 1731N 4.71 0.09 -4.74 0.00 3.64 -1.55 0.93 116.57 119.64 3hm6 h LYS 1731Ca -0.35 -0.02 -0.68 0.00 -1.27 0.00 0.00 60.65 58.33 3hm6 h LYS 1731Cb 1.20 -0.01 -0.23 0.00 -0.41 0.00 0.00 32.23 32.77 3hm6 h LYS 1731CO 0.42 0.24 -0.55 0.71 -2.27 0.00 0.00 179.45 177.99 3hm6 s TYR 1732N -5.47 3.19 0.28 1.91 1.51 -1.26 -4.69 117.35 112.81 3hm6 s TYR 1732Ca -0.14 -0.71 -0.21 0.00 -1.01 0.00 0.00 57.07 55.01 3hm6 s TYR 1732Cb 0.05 -2.36 0.04 0.00 -0.11 0.00 0.00 41.96 39.58 3hm6 s TYR 1732CO 0.68 -0.51 0.79 -0.08 -1.11 0.00 0.00 175.55 175.31 3hm6 s THR 1733N 1.59 0.00 -0.22 -0.71 -1.32 -1.26 -4.74 115.64 108.97 3hm6 s THR 1733Ca 0.04 -0.93 0.08 0.00 -1.21 0.00 0.00 61.69 59.66 3hm6 s THR 1733Cb -0.18 -2.21 -0.10 0.00 -1.51 0.00 0.00 72.50 68.51 3hm6 s THR 1733CO 0.06 0.00 0.27 0.18 -2.21 0.00 0.00 174.62 172.92 3hm6 n LEU 1734N -0.49 0.22 -4.58 9.08 4.77 -1.26 -4.53 117.00 120.21 3hm6 n LEU 1734Ca -0.05 -0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.27 3hm6 n LEU 1734Cb 0.59 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 3hm6 n LEU 1734CO 0.17 0.05 -0.23 0.21 -1.33 0.00 0.00 177.39 176.26 3hm6 s ASN 1735N -2.20 5.64 0.47 -1.43 3.84 -1.26 -4.84 114.94 115.16 3hm6 s ASN 1735Ca 0.01 0.00 0.15 0.00 0.21 0.00 0.00 52.86 53.23 3hm6 s ASN 1735Cb 0.06 -2.00 1.08 0.00 -0.55 0.00 0.00 41.25 39.84 3hm6 s ASN 1735CO 0.32 0.07 2.04 -2.24 -2.79 0.00 0.00 177.10 174.50 3hm6 h ASP 1736N 7.45 0.00 -0.85 -4.21 2.03 -1.96 -2.49 116.42 116.40 3hm6 h ASP 1736Ca -0.37 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.91 3hm6 h ASP 1736Cb 1.17 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.63 3hm6 h ASP 1736CO 0.64 0.13 0.47 0.78 -1.03 0.00 0.00 179.24 180.23 3hm6 h ASN 1737N 0.00 1.06 0.80 4.15 4.21 -2.02 -2.24 115.58 121.53 3hm6 h ASN 1737Ca -0.00 -0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.41 3hm6 h ASN 1737Cb 0.23 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 3hm6 h ASN 1737CO 0.02 0.85 0.00 0.54 -1.29 0.00 0.00 177.43 177.54 3hm6 n ARG 1738N -4.38 0.09 -2.39 0.81 5.12 -0.97 -4.86 116.66 110.08 3hm6 n ARG 1738Ca 0.09 0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.63 3hm6 n ARG 1738Cb 0.09 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.86 3hm6 n ARG 1738CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3hm6 s LEU 1739N -2.89 4.27 -1.03 0.55 2.96 -0.84 -0.35 118.68 121.34 3hm6 s LEU 1739Ca 0.16 1.87 -0.23 0.00 -0.22 0.00 0.00 54.13 55.71 3hm6 s LEU 1739Cb 0.17 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 3hm6 s LEU 1739CO 0.46 -0.66 1.76 -0.22 -1.32 0.00 0.00 176.35 176.38 3hm6 s LEU 1740N 2.54 3.33 0.05 -0.68 2.96 0.32 -4.79 118.68 122.41 3hm6 s LEU 1740Ca 0.58 -1.28 -0.26 0.00 -0.22 0.00 0.00 54.13 52.95 3hm6 s LEU 1740Cb -0.26 -2.57 -0.17 0.00 0.50 0.00 0.00 46.19 43.69 3hm6 s LEU 1740CO 0.22 -2.22 1.53 0.03 -1.32 0.00 0.00 176.35 174.59 3hm6 h ARG 1741N 10.14 -0.25 -6.06 1.98 3.08 -1.90 -3.39 114.38 117.97 3hm6 h ARG 1741Ca 0.19 0.02 -0.67 0.00 0.07 0.00 0.00 59.98 59.59 3hm6 h ARG 1741Cb 0.98 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3hm6 h ARG 1741CO 1.31 -0.05 1.28 0.39 -1.07 0.00 0.00 179.97 181.83 3hm6 n GLU 1742N -5.14 1.30 -2.14 0.04 1.02 -1.26 -4.82 120.64 109.65 3hm6 n GLU 1742Ca -0.09 0.41 -0.30 0.00 -0.02 0.00 0.00 57.16 57.16 3hm6 n GLU 1742Cb 0.18 -2.46 -0.05 0.00 -0.02 0.00 0.00 31.44 29.09 3hm6 n GLU 1742CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hm6 s ASP 1743N 6.20 5.31 1.28 1.62 1.01 -1.26 -4.96 116.67 125.88 3hm6 s ASP 1743Ca 1.05 -1.50 -0.19 0.00 0.71 0.00 0.00 52.55 52.62 3hm6 s ASP 1743Cb -0.85 -2.58 0.32 0.00 1.01 0.00 0.00 42.92 40.82 3hm6 s ASP 1743CO 0.52 -2.73 1.01 0.68 0.21 0.00 0.00 175.17 174.86 3hm6 s VAL 1744N 9.81 1.56 -0.02 -1.27 -7.23 -1.26 -5.07 120.40 116.92 3hm6 s VAL 1744Ca 0.66 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.80 3hm6 s VAL 1744Cb -0.02 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.73 3hm6 s VAL 1744CO 0.08 0.00 0.09 -1.61 -0.31 0.00 0.00 175.10 173.35 3hm6 s GLU 1745N -4.98 0.22 0.30 4.82 2.02 -1.26 -5.11 118.70 114.71 3hm6 s GLU 1745Ca 0.69 -0.07 -0.12 0.00 0.02 0.00 0.00 54.97 55.48 3hm6 s GLU 1745Cb -0.16 0.09 0.01 0.00 0.10 0.00 0.00 34.13 34.18 3hm6 s GLU 1745CO 0.59 -0.04 0.58 1.52 0.02 0.00 0.00 175.26 177.93 3hm6 s TYR 1746N -0.44 0.39 -0.10 1.61 -0.85 -1.26 -4.97 117.35 111.72 3hm6 s TYR 1746Ca -0.05 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 55.70 3hm6 s TYR 1746Cb -0.03 0.35 0.02 0.00 0.38 0.00 0.00 41.96 42.67 3hm6 s TYR 1746CO 0.00 -1.19 -0.10 0.50 -1.52 0.00 0.00 175.55 173.25 3hm6 s ARG 1747N -3.41 1.68 0.55 -3.49 3.52 -1.26 -5.04 118.95 111.50 3hm6 s ARG 1747Ca 0.21 -0.34 -0.21 0.00 -0.13 0.00 0.00 55.73 55.26 3hm6 s ARG 1747Cb -0.02 -1.61 -0.05 0.00 -1.56 0.00 0.00 34.95 31.72 3hm6 s ARG 1747CO 0.12 -0.18 1.33 -1.25 -0.81 0.00 0.00 175.30 174.51 3hm6 s PRO 1748N 1.38 3.11 0.01 5.12 0.04 -1.26 -1.47 135.00 141.93 3hm6 s PRO 1748Ca -0.01 2.16 -0.02 0.00 0.04 0.00 0.00 61.00 63.17 3hm6 s PRO 1748Cb -0.13 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 3hm6 s PRO 1748CO -0.05 -1.19 0.02 -0.51 0.04 0.00 0.00 177.00 175.31 3hm6 s LEU 1749N -3.61 2.01 -0.12 -3.56 1.43 -0.69 -4.82 118.68 109.32 3hm6 s LEU 1749Ca 0.73 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 3hm6 s LEU 1749Cb -0.39 0.24 0.02 0.00 0.03 0.00 0.00 46.19 46.09 3hm6 s LEU 1749CO 0.45 -0.26 -0.10 -0.89 0.23 0.00 0.00 176.35 175.77 3hm6 s THR 1750N -1.17 1.25 0.22 5.49 2.01 -1.26 -0.59 115.64 121.59 3hm6 s THR 1750Ca -0.13 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.46 3hm6 s THR 1750Cb -0.08 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 3hm6 s THR 1750CO -0.00 0.40 0.37 -0.76 -0.69 0.00 0.00 174.62 173.94 3hm6 s LEU 1751N 1.56 4.27 -0.51 4.42 1.43 0.31 0.44 118.68 130.59 3hm6 s LEU 1751Ca 0.04 0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 3hm6 s LEU 1751Cb -0.13 -3.00 0.08 0.00 0.03 0.00 0.00 46.19 43.17 3hm6 s LEU 1751CO -0.08 -0.06 0.54 0.21 0.23 0.00 0.00 176.35 177.19 3hm6 s ASN 1752N -3.60 6.19 -0.18 2.29 2.47 0.60 -0.68 114.94 122.02 3hm6 s ASN 1752Ca 0.36 -1.24 -0.14 0.00 0.42 0.00 0.00 52.86 52.26 3hm6 s ASN 1752Cb -0.10 -2.24 -0.04 0.00 -1.45 0.00 0.00 41.25 37.41 3hm6 s ASN 1752CO 0.30 -0.83 0.33 0.00 -3.72 0.00 0.00 177.10 173.17 3hm6 s ALA 1753N 2.17 3.57 0.34 1.71 0.00 0.54 -2.34 121.76 127.75 3hm6 s ALA 1753Ca 0.09 -0.50 0.09 0.00 0.00 0.00 0.00 51.96 51.64 3hm6 s ALA 1753Cb -0.23 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 3hm6 s ALA 1753CO 0.08 -0.07 0.03 -1.17 0.00 0.00 0.00 175.76 174.63 3hm6 s LEU 1754N 0.81 3.02 -0.51 0.00 2.96 -1.00 0.06 118.68 124.01 3hm6 s LEU 1754Ca 0.17 -0.96 0.07 0.00 -0.22 0.00 0.00 54.13 53.19 3hm6 s LEU 1754Cb -0.14 -1.40 0.30 0.00 0.50 0.00 0.00 46.19 45.45 3hm6 s LEU 1754CO 0.06 -0.24 0.75 -0.11 -1.32 0.00 0.00 176.35 175.48 3hm6 n LEU 1755N -0.98 2.60 -4.65 -0.68 7.94 -1.26 -1.95 117.00 118.03 3hm6 n LEU 1755Ca -0.04 -5.26 -0.43 0.00 -1.11 0.00 0.00 56.01 49.17 3hm6 n LEU 1755Cb 0.62 -0.07 -0.02 0.00 0.53 0.00 0.00 43.42 44.48 3hm6 n LEU 1755CO 0.43 2.20 1.13 0.00 -1.11 0.00 0.00 177.39 180.03 3hm6 s ALA 1756N -2.48 3.53 0.00 1.96 0.00 -0.54 -4.90 121.76 119.33 3hm6 s ALA 1756Ca 0.41 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3hm6 s ALA 1756Cb 0.23 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3hm6 s ALA 1756CO -0.08 -1.44 0.00 0.00 0.00 0.00 0.00 175.76 174.23 3hm6 n ALA 1764N 7.11 0.00 -2.38 0.00 0.00 -1.26 -4.81 120.51 119.17 3hm6 n ALA 1764Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.42 3hm6 n ALA 1764Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 3hm6 n ALA 1764CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3hm6 s GLN 1765N -2.90 1.11 -0.40 0.00 1.03 -1.26 -5.14 119.66 112.11 3hm6 s GLN 1765Ca 0.00 -1.39 -0.12 0.00 0.04 0.00 0.00 55.36 53.89 3hm6 s GLN 1765Cb 0.00 -0.88 0.04 0.00 0.03 0.00 0.00 33.01 32.20 3hm6 s GLN 1765CO 0.00 0.15 0.25 0.20 -2.54 0.00 0.00 175.29 173.35 3hm6 s GLY 1766N -2.89 1.96 0.38 2.60 0.00 -1.26 -4.65 107.32 103.46 3hm6 s GLY 1766Ca 0.15 -1.82 -0.23 0.00 0.00 0.00 0.00 44.72 42.82 3hm6 s GLY 1766CO 0.03 0.90 0.94 0.54 0.00 0.00 0.00 173.10 175.51 3hm6 s VAL 1767N 1.57 4.31 0.17 1.40 0.11 0.11 -4.66 120.40 123.40 3hm6 s VAL 1767Ca 0.03 1.65 -0.09 0.00 -2.93 0.00 0.00 61.98 60.64 3hm6 s VAL 1767Cb -0.20 -3.80 -0.06 0.00 -1.53 0.00 0.00 36.38 30.79 3hm6 s VAL 1767CO 0.07 -0.09 0.47 -2.16 -3.33 0.00 0.00 175.10 170.05 3hm6 s PRO 1768N -2.63 3.76 -0.08 1.54 0.04 -1.26 0.20 135.00 136.57 3hm6 s PRO 1768Ca 0.56 0.17 -0.00 0.00 0.04 0.00 0.00 61.00 61.78 3hm6 s PRO 1768Cb -0.14 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.62 3hm6 s PRO 1768CO 0.18 0.42 -0.05 0.08 0.04 0.00 0.00 177.00 177.68 3hm6 s VAL 1769N -1.65 0.71 -0.82 -0.36 1.01 0.14 -4.86 120.40 114.57 3hm6 s VAL 1769Ca 0.42 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 3hm6 s VAL 1769Cb -0.12 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.50 3hm6 s VAL 1769CO 0.21 0.30 1.57 -1.59 0.00 0.00 0.00 175.10 175.59 3hm6 s LYS 1770N 1.49 3.06 0.38 2.72 0.00 -1.26 -0.53 119.74 125.61 3hm6 s LYS 1770Ca -0.01 -0.30 0.04 0.00 0.00 0.00 0.00 55.97 55.69 3hm6 s LYS 1770Cb -0.13 -4.70 0.04 0.00 0.00 0.00 0.00 37.83 33.03 3hm6 s LYS 1770CO -0.04 -2.51 0.31 1.33 0.00 0.00 0.00 175.35 174.44 3hm6 n VAL 1771N 6.96 0.00 -4.30 1.79 0.24 0.24 -5.00 118.33 118.27 3hm6 n VAL 1771Ca 0.21 -1.49 -0.21 0.00 -2.04 0.00 0.00 64.34 60.81 3hm6 n VAL 1771Cb 0.50 -0.22 -0.11 0.00 -1.47 0.00 0.00 33.84 32.53 3hm6 n VAL 1771CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3hm6 s LEU 1772N 0.00 2.40 0.51 1.34 1.43 -1.26 -1.70 118.68 121.40 3hm6 s LEU 1772Ca 0.24 -0.81 0.30 0.00 -1.03 0.00 0.00 54.13 52.83 3hm6 s LEU 1772Cb -0.02 -0.76 1.14 0.00 0.03 0.00 0.00 46.19 46.58 3hm6 s LEU 1772CO 0.15 -0.04 1.90 -2.24 0.23 0.00 0.00 176.35 176.35 3hm6 h ASP 1773N 3.52 0.00 0.18 2.29 2.03 -1.57 -2.71 116.42 120.15 3hm6 h ASP 1773Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 3hm6 h ASP 1773Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3hm6 h ASP 1773CO 0.48 0.06 -0.08 0.00 -1.03 0.00 0.00 179.24 178.67 3hm6 s ASP 1775N -2.26 7.06 0.93 0.00 1.01 -1.02 -4.82 116.67 117.57 3hm6 s ASP 1775Ca 0.34 2.39 -0.12 0.00 0.71 0.00 0.00 52.55 55.88 3hm6 s ASP 1775Cb 0.21 -2.63 0.15 0.00 1.01 0.00 0.00 42.92 41.66 3hm6 s ASP 1775CO 0.42 -0.33 1.09 0.42 0.21 0.00 0.00 175.17 176.98 3hm6 s THR 1776N -0.83 2.51 0.28 -1.27 -4.23 -1.26 -1.40 115.64 109.43 3hm6 s THR 1776Ca 0.48 0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 61.14 3hm6 s THR 1776Cb -0.35 -2.55 0.19 0.00 1.34 0.00 0.00 72.50 71.13 3hm6 s THR 1776CO 0.43 -0.21 1.87 0.40 -0.54 0.00 0.00 174.62 176.57 3hm6 h ILE 1777N -1.72 1.22 -0.13 2.99 1.08 -1.76 -0.71 117.51 118.47 3hm6 h ILE 1777Ca -0.50 -0.67 0.01 0.00 -0.39 0.00 0.00 64.86 63.30 3hm6 h ILE 1777Cb 1.29 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 3hm6 h ILE 1777CO 0.53 0.27 0.06 0.28 -0.69 0.00 0.00 178.15 178.60 3hm6 h SER 1778N 0.91 0.08 -0.54 1.72 0.02 -1.92 0.72 113.55 114.54 3hm6 h SER 1778Ca 0.22 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 3hm6 h SER 1778Cb 0.16 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3hm6 h SER 1778CO -0.02 0.07 0.20 1.56 -1.14 0.00 0.00 176.83 177.49 3hm6 h GLN 1779N 0.13 0.87 -0.35 3.45 4.20 -1.81 -2.15 115.11 119.46 3hm6 h GLN 1779Ca 0.05 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.50 3hm6 h GLN 1779Cb 0.02 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3hm6 h GLN 1779CO -0.05 0.74 -0.23 0.00 -0.67 0.00 0.00 178.83 178.63 3hm6 h ALA 1780N 1.36 0.50 -0.92 3.87 0.00 -0.94 -2.69 119.26 120.43 3hm6 h ALA 1780Ca 0.20 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3hm6 h ALA 1780Cb 0.22 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3hm6 h ALA 1780CO -0.01 0.47 0.60 -0.22 0.00 0.00 0.00 179.25 180.09 3hm6 h LYS 1781N 0.55 1.03 0.42 0.00 3.64 -0.48 0.15 116.57 121.89 3hm6 h LYS 1781Ca 0.07 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3hm6 h LYS 1781Cb 0.79 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3hm6 h LYS 1781CO 0.06 0.68 -0.20 0.93 -2.27 0.00 0.00 179.45 178.66 3hm6 h GLU 1782N 1.06 -0.54 -0.87 1.90 5.08 -1.32 0.08 114.58 119.97 3hm6 h GLU 1782Ca 0.40 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.94 3hm6 h GLU 1782Cb 0.18 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 3hm6 h GLU 1782CO -0.15 -0.30 0.57 0.87 -1.00 0.00 0.00 179.01 178.99 3hm6 h LYS 1783N -0.67 0.61 -0.14 2.33 1.57 -1.19 -1.15 116.57 117.92 3hm6 h LYS 1783Ca -0.06 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 3hm6 h LYS 1783Cb 0.49 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3hm6 h LYS 1783CO 0.09 0.40 -0.17 0.52 -0.57 0.00 0.00 179.45 179.72 3hm6 h MET 1784N 0.62 0.37 -0.65 3.15 2.86 -0.74 -3.21 114.93 117.33 3hm6 h MET 1784Ca 0.44 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3hm6 h MET 1784Cb 0.79 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 3hm6 h MET 1784CO -0.19 0.77 0.42 -0.07 1.06 0.00 0.00 176.91 178.90 3hm6 h LEU 1785N -0.02 0.75 -0.38 1.22 3.38 -0.31 0.18 115.31 120.13 3hm6 h LEU 1785Ca 0.02 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hm6 h LEU 1785Cb 0.72 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3hm6 h LEU 1785CO 0.04 0.55 0.21 0.44 0.09 0.00 0.00 178.44 179.77 3hm6 h ASP 1786N 0.88 0.32 0.48 -0.43 3.32 -1.25 0.11 116.42 119.84 3hm6 h ASP 1786Ca 0.24 0.01 -0.27 0.00 0.02 0.00 0.00 57.03 57.03 3hm6 h ASP 1786Cb -0.09 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.42 3hm6 h ASP 1786CO -0.05 0.23 -1.20 1.56 -1.72 0.00 0.00 179.24 178.06 3hm6 h GLN 1787N 0.42 0.36 -0.76 3.56 7.50 -1.53 -2.71 115.11 121.95 3hm6 h GLN 1787Ca 0.16 -0.54 -0.04 0.00 0.50 0.00 0.00 58.65 58.72 3hm6 h GLN 1787Cb 0.04 0.19 -0.03 0.00 0.05 0.00 0.00 27.48 27.73 3hm6 h GLN 1787CO -0.09 1.23 0.31 -0.07 -1.50 0.00 0.00 178.83 178.70 3hm6 h LEU 1788N 0.14 1.05 -5.85 1.46 3.38 -0.85 -3.10 115.31 111.54 3hm6 h LEU 1788Ca -0.14 -0.17 -0.70 0.00 0.09 0.00 0.00 57.88 56.96 3hm6 h LEU 1788Cb 1.89 -0.27 -0.35 0.00 0.09 0.00 0.00 40.66 42.02 3hm6 h LEU 1788CO 0.21 0.94 0.15 -1.22 0.09 0.00 0.00 178.44 178.60 3hm6 n TYR 1789N -4.31 3.39 0.19 1.13 4.02 0.36 -4.91 117.16 117.02 3hm6 n TYR 1789Ca 0.07 -3.32 0.04 0.00 -0.01 0.00 0.00 57.90 54.67 3hm6 n TYR 1789Cb 0.18 -0.84 0.37 0.00 -0.02 0.00 0.00 39.34 39.03 3hm6 n TYR 1789CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3hm6 h LYS 1790N 3.72 0.00 -0.00 -0.72 1.63 -1.40 -3.13 116.57 116.67 3hm6 h LYS 1790Ca 0.31 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.11 3hm6 h LYS 1790Cb 0.44 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 3hm6 h LYS 1790CO 1.00 0.38 -0.15 0.41 -3.45 0.00 0.00 179.45 177.64 3hm6 n GLY 1791N -0.22 4.97 3.58 5.01 0.00 -1.26 -5.01 105.19 112.26 3hm6 n GLY 1791Ca -0.01 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 3hm6 n GLY 1791CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hm6 s VAL 1792N -2.99 3.71 -0.05 1.61 1.01 -1.18 -5.10 120.40 117.41 3hm6 s VAL 1792Ca 0.34 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 3hm6 s VAL 1792Cb 0.31 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 3hm6 s VAL 1792CO -0.00 0.60 0.96 -2.16 0.00 0.00 0.00 175.10 174.50 3hm6 s PRO 1793N -0.80 4.49 0.33 2.72 0.04 -1.26 -4.94 135.00 135.59 3hm6 s PRO 1793Ca 0.12 1.35 0.22 0.00 0.04 0.00 0.00 61.00 62.73 3hm6 s PRO 1793Cb -0.11 -3.49 1.16 0.00 0.04 0.00 0.00 34.50 32.10 3hm6 s PRO 1793CO 0.01 -0.15 1.28 1.28 0.04 0.00 0.00 177.00 179.47 3hm6 n LEU 1794N 4.35 0.23 0.09 -3.56 4.77 -1.26 0.33 117.00 121.94 3hm6 n LEU 1794Ca 0.06 1.25 0.02 0.00 -0.03 0.00 0.00 56.01 57.31 3hm6 n LEU 1794Cb 0.50 -0.61 0.36 0.00 -2.33 0.00 0.00 43.42 41.34 3hm6 n LEU 1794CO 0.51 -1.38 0.90 0.74 -1.33 0.00 0.00 177.39 176.83 3hm6 h THR 1795N 0.00 1.18 -1.14 -5.08 2.02 -1.93 -2.66 112.91 105.31 3hm6 h THR 1795Ca 0.71 -0.79 -0.61 0.00 0.77 0.00 0.00 66.41 66.48 3hm6 h THR 1795Cb 2.08 1.14 -0.24 0.00 -1.74 0.00 0.00 68.15 69.38 3hm6 h THR 1795CO -0.51 0.25 0.78 0.00 0.37 0.00 0.00 175.52 176.42 3hm6 n GLN 1796N -4.27 2.51 -4.32 6.66 3.00 1.00 -4.91 117.38 117.03 3hm6 n GLN 1796Ca -0.00 -2.92 -0.17 0.00 -0.01 0.00 0.00 57.00 53.90 3hm6 n GLN 1796Cb 0.26 -2.14 -0.10 0.00 0.00 0.00 0.00 30.24 28.26 3hm6 n GLN 1796CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3hm6 s ARG 1797N -3.28 1.27 0.52 -1.09 0.52 -1.00 -4.60 118.95 111.28 3hm6 s ARG 1797Ca 0.55 -1.57 -0.16 0.00 -0.52 0.00 0.00 55.73 54.03 3hm6 s ARG 1797Cb 0.43 -0.95 -0.08 0.00 0.52 0.00 0.00 34.95 34.88 3hm6 s ARG 1797CO -0.13 0.12 0.99 -1.25 0.02 0.00 0.00 175.30 175.06 3hm6 s PRO 1798N -3.69 3.91 0.07 3.54 0.04 -1.26 -5.00 135.00 132.61 3hm6 s PRO 1798Ca 0.22 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.92 3hm6 s PRO 1798Cb 0.01 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 3hm6 s PRO 1798CO 0.05 -0.30 1.92 0.34 0.04 0.00 0.00 177.00 179.05 3hm6 s ASP 1799N -3.08 6.43 0.43 6.66 2.15 -1.26 -4.88 116.67 123.12 3hm6 s ASP 1799Ca 0.59 2.72 0.30 0.00 0.43 0.00 0.00 52.55 56.59 3hm6 s ASP 1799Cb -0.10 -2.54 1.46 0.00 -0.30 0.00 0.00 42.92 41.44 3hm6 s ASP 1799CO 0.32 -1.04 1.59 -0.65 -0.17 0.00 0.00 175.17 175.22 3hm6 h PRO 1800N 9.82 0.03 0.00 4.34 0.11 -1.94 0.34 132.00 144.70 3hm6 h PRO 1800Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hm6 h PRO 1800Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hm6 h PRO 1800CO 0.94 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 3hm6 h ARG 1801N 0.03 0.00 0.00 1.05 -0.00 -2.03 -2.66 114.38 110.76 3hm6 h ARG 1801Ca 0.87 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.35 3hm6 h ARG 1801Cb 2.71 0.00 0.00 0.00 0.00 0.00 0.00 29.97 32.68 3hm6 h ARG 1801CO -0.50 0.00 -0.07 0.25 0.00 0.00 0.00 179.97 179.65 3hm6 n THR 1802N -2.68 0.43 -4.64 2.04 -2.24 0.12 -4.81 114.28 102.49 3hm6 n THR 1802Ca 0.01 -0.22 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 3hm6 n THR 1802Cb 0.25 -0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 67.84 3hm6 n THR 1802CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hm6 s LEU 1803N -4.13 2.92 0.43 3.22 1.43 -1.00 -2.61 118.68 118.93 3hm6 s LEU 1803Ca 0.11 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 3hm6 s LEU 1803Cb 0.14 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 3hm6 s LEU 1803CO 0.60 0.18 0.72 -1.81 0.23 0.00 0.00 176.35 176.27 3hm6 s ASP 1804N 0.29 6.34 -0.25 2.29 -0.00 0.41 -4.89 116.67 120.87 3hm6 s ASP 1804Ca -0.07 0.89 -0.10 0.00 -0.00 0.00 0.00 52.55 53.26 3hm6 s ASP 1804Cb -0.15 -2.22 -0.05 0.00 -0.00 0.00 0.00 42.92 40.50 3hm6 s ASP 1804CO 0.04 -0.46 0.16 -0.69 -0.00 0.00 0.00 175.17 174.23 3hm6 s VAL 1805N -2.53 5.31 -0.23 -1.27 1.01 -1.26 -1.32 120.40 120.11 3hm6 s VAL 1805Ca 0.47 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.62 3hm6 s VAL 1805Cb -0.10 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.83 3hm6 s VAL 1805CO 0.39 0.33 -0.13 -0.70 0.00 0.00 0.00 175.10 174.99 3hm6 s GLU 1806N 1.21 2.73 -0.21 2.72 2.12 -0.01 -0.17 118.70 127.09 3hm6 s GLU 1806Ca 0.07 -1.02 -0.24 0.00 0.36 0.00 0.00 54.97 54.14 3hm6 s GLU 1806Cb -0.14 -2.80 -0.01 0.00 0.26 0.00 0.00 34.13 31.43 3hm6 s GLU 1806CO 0.06 -0.37 0.78 -0.46 -0.54 0.00 0.00 175.26 174.73 3hm6 s TRP 1807N 1.25 3.35 -0.48 5.30 -0.00 0.13 0.79 118.94 129.29 3hm6 s TRP 1807Ca -0.01 1.12 0.04 0.00 -0.00 0.00 0.00 56.10 57.25 3hm6 s TRP 1807Cb -0.16 -2.98 0.12 0.00 -0.00 0.00 0.00 33.47 30.45 3hm6 s TRP 1807CO -0.08 -0.31 0.21 1.03 -0.00 0.00 0.00 176.95 177.81 3hm6 s ARG 1808N 2.44 1.85 0.81 5.86 0.52 0.76 -0.05 118.95 131.15 3hm6 s ARG 1808Ca 0.34 -2.45 -0.12 0.00 -0.52 0.00 0.00 55.73 52.99 3hm6 s ARG 1808Cb -0.16 -3.27 0.08 0.00 0.52 0.00 0.00 34.95 32.12 3hm6 s ARG 1808CO 0.10 -1.07 1.10 -1.54 0.02 0.00 0.00 175.30 173.90 3hm6 s SER 1809N -0.02 4.36 0.00 0.23 1.04 -1.26 -4.38 113.70 113.66 3hm6 s SER 1809Ca 0.16 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.83 3hm6 s SER 1809Cb -0.24 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 63.92 3hm6 s SER 1809CO -0.02 -2.05 0.50 0.61 0.98 0.00 0.00 173.24 173.26 3hm6 n GLY 1810N -2.14 -1.50 0.40 7.32 0.00 -1.26 -4.46 105.19 103.54 3hm6 n GLY 1810Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 3hm6 n GLY 1810CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3hm6 h VAL 1811N 0.00 0.14 -3.50 1.61 3.04 -2.05 -3.45 116.25 112.04 3hm6 h VAL 1811Ca 0.00 -0.21 -0.42 0.00 -1.01 0.00 0.00 66.70 65.06 3hm6 h VAL 1811Cb 0.00 0.18 0.19 0.00 -2.01 0.00 0.00 31.29 29.65 3hm6 h VAL 1811CO 0.00 0.01 0.09 0.00 -1.01 0.00 0.00 177.57 176.67 3hm6 s ALA 1812N -5.38 0.30 1.01 3.17 0.00 -1.26 -5.01 121.76 114.59 3hm6 s ALA 1812Ca -0.16 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 3hm6 s ALA 1812Cb 0.02 -3.02 0.20 0.00 0.00 0.00 0.00 23.12 20.32 3hm6 s ALA 1812CO 0.51 -3.58 1.08 0.20 0.00 0.00 0.00 175.76 173.97 3hm6 s GLY 1813N -3.44 1.58 0.09 0.00 0.00 -1.26 -4.61 107.32 99.68 3hm6 s GLY 1813Ca 0.69 -0.20 -0.30 0.00 0.00 0.00 0.00 44.72 44.91 3hm6 s GLY 1813CO 0.58 0.41 1.12 0.30 0.00 0.00 0.00 173.10 175.51 3hm6 s HIS 1814N -2.82 3.54 -0.22 1.90 0.09 -1.26 -4.26 115.29 112.25 3hm6 s HIS 1814Ca 0.66 1.48 0.02 0.00 -0.00 0.00 0.00 55.06 57.21 3hm6 s HIS 1814Cb -0.20 -3.31 0.04 0.00 -0.00 0.00 0.00 32.58 29.10 3hm6 s HIS 1814CO 0.59 -0.81 -0.15 -1.17 -0.00 0.00 0.00 174.74 173.21 3hm6 s LEU 1815N 0.55 2.82 0.07 0.89 2.96 0.93 -4.95 118.68 121.95 3hm6 s LEU 1815Ca 0.54 -1.00 -0.31 0.00 -0.22 0.00 0.00 54.13 53.14 3hm6 s LEU 1815Cb -0.28 -1.53 -0.07 0.00 0.50 0.00 0.00 46.19 44.81 3hm6 s LEU 1815CO 0.31 -0.10 1.38 -0.63 -1.32 0.00 0.00 176.35 175.99 3hm6 s ILE 1816N 1.21 3.53 -0.08 6.68 -1.09 -1.26 0.18 121.20 130.36 3hm6 s ILE 1816Ca -0.02 1.04 -0.01 0.00 -2.23 0.00 0.00 60.65 59.43 3hm6 s ILE 1816Cb -0.16 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 3hm6 s ILE 1816CO -0.09 0.05 -0.01 -0.76 -1.23 0.00 0.00 174.94 172.90 3hm6 s LEU 1817N 1.58 3.48 0.14 2.97 1.43 0.76 -4.93 118.68 124.10 3hm6 s LEU 1817Ca 0.64 0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 53.67 3hm6 s LEU 1817Cb -0.34 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.12 3hm6 s LEU 1817CO 0.29 0.37 0.44 -0.94 0.23 0.00 0.00 176.35 176.74 3hm6 s SER 1818N -0.89 -0.29 0.46 2.29 1.04 -1.26 -4.16 113.70 110.88 3hm6 s SER 1818Ca 0.13 -0.28 0.12 0.00 0.48 0.00 0.00 55.95 56.40 3hm6 s SER 1818Cb -0.11 0.50 1.04 0.00 0.10 0.00 0.00 66.02 67.54 3hm6 s SER 1818CO 0.02 -0.88 2.08 0.44 0.98 0.00 0.00 173.24 175.88 3hm6 h ASP 1819N 2.29 0.21 -3.39 7.02 3.45 -1.95 -3.39 116.42 120.66 3hm6 h ASP 1819Ca -0.34 -0.01 -0.41 0.00 0.43 0.00 0.00 57.03 56.70 3hm6 h ASP 1819Cb 1.27 -0.05 -0.35 0.00 -0.56 0.00 0.00 39.33 39.63 3hm6 h ASP 1819CO 0.45 0.19 -0.77 -0.70 -1.57 0.00 0.00 179.24 176.84 3hm6 s GLU 1820N -5.17 0.71 0.00 3.56 2.12 -1.26 -0.75 118.70 117.91 3hm6 s GLU 1820Ca -0.06 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.25 3hm6 s GLU 1820Cb 0.17 -0.86 0.00 0.00 0.26 0.00 0.00 34.13 33.70 3hm6 s GLU 1820CO 0.70 -0.16 0.00 -0.40 -0.54 0.00 0.00 175.26 174.86 3hm6 n ASP 1821N 4.44 0.00 0.17 -1.70 5.68 -1.26 -5.01 116.55 118.87 3hm6 n ASP 1821Ca -0.19 -0.79 0.13 0.00 -0.50 0.00 0.00 54.79 53.44 3hm6 n ASP 1821Cb 0.50 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.08 3hm6 n ASP 1821CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3hm6 h VAL 1822N 0.79 0.00 0.00 2.12 3.04 -2.01 -1.59 116.25 118.60 3hm6 h VAL 1822Ca 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 3hm6 h VAL 1822Cb 0.00 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 3hm6 h VAL 1822CO 0.00 0.00 -0.63 0.35 -1.01 0.00 0.00 177.57 176.28 3hm6 n THR 1823N -2.35 0.20 -1.74 3.17 -2.24 -1.26 -4.96 114.28 105.10 3hm6 n THR 1823Ca 0.00 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 3hm6 n THR 1823Cb 0.14 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 3hm6 n THR 1823CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hm6 s SER 1824N -3.74 6.36 0.20 3.42 0.01 -0.60 -4.93 113.70 114.42 3hm6 s SER 1824Ca 0.08 2.92 -0.30 0.00 1.31 0.00 0.00 55.95 59.96 3hm6 s SER 1824Cb 0.15 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.67 3hm6 s SER 1824CO 0.72 -0.95 1.31 -1.83 0.41 0.00 0.00 173.24 172.90 3hm6 s GLU 1825N 0.32 4.39 -0.02 12.44 1.03 -1.26 -4.91 118.70 130.68 3hm6 s GLU 1825Ca 0.69 2.05 -0.00 0.00 0.03 0.00 0.00 54.97 57.74 3hm6 s GLU 1825Cb -0.49 -3.19 0.03 0.00 -0.80 0.00 0.00 34.13 29.68 3hm6 s GLU 1825CO 0.40 -0.25 0.03 0.08 -1.33 0.00 0.00 175.26 174.19 3hm6 s VAL 1826N 0.11 -0.06 -0.01 1.83 1.01 -1.26 -0.74 120.40 121.28 3hm6 s VAL 1826Ca 0.57 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.81 3hm6 s VAL 1826Cb -0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 3hm6 s VAL 1826CO 0.38 0.09 -0.12 -1.58 0.00 0.00 0.00 175.10 173.87 3hm6 s GLN 1827N 1.11 1.02 1.50 2.72 2.00 -0.50 -5.01 119.66 122.50 3hm6 s GLN 1827Ca -0.09 -0.43 0.00 0.00 -2.00 0.00 0.00 55.36 52.84 3hm6 s GLN 1827Cb -0.13 -0.98 0.00 0.00 0.80 0.00 0.00 33.01 32.70 3hm6 s GLN 1827CO -0.03 0.25 0.00 0.41 -0.50 0.00 0.00 175.29 175.42 3hm6 n GLY 1828N 2.85 2.68 1.72 2.59 0.00 -1.26 -0.02 105.19 113.76 3hm6 n GLY 1828Ca -0.15 0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.04 3hm6 n GLY 1828CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hm6 n LEU 1829N 0.00 5.16 -4.66 0.99 4.32 -1.26 -4.90 117.00 116.65 3hm6 n LEU 1829Ca 0.00 -2.62 -0.35 0.00 -0.02 0.00 0.00 56.01 53.03 3hm6 n LEU 1829Cb 0.00 -0.64 -0.10 0.00 -1.62 0.00 0.00 43.42 41.06 3hm6 n LEU 1829CO 0.00 0.65 -0.31 0.26 -1.22 0.00 0.00 177.39 176.77 3hm6 s TRP 1830N -2.42 3.16 -0.09 -1.77 0.52 0.98 0.75 118.94 120.06 3hm6 s TRP 1830Ca 0.50 0.13 0.01 0.00 0.02 0.00 0.00 56.10 56.76 3hm6 s TRP 1830Cb 0.37 -1.84 0.02 0.00 -1.15 0.00 0.00 33.47 30.87 3hm6 s TRP 1830CO 0.17 0.38 -0.11 0.50 0.02 0.00 0.00 176.95 177.92 3hm6 s ARG 1831N -0.62 1.72 0.19 4.98 3.52 0.18 -1.41 118.95 127.51 3hm6 s ARG 1831Ca 0.10 -0.37 -0.28 0.00 -0.13 0.00 0.00 55.73 55.04 3hm6 s ARG 1831Cb -0.12 -1.58 -0.08 0.00 -1.56 0.00 0.00 34.95 31.62 3hm6 s ARG 1831CO 0.02 -0.12 0.89 0.50 -0.81 0.00 0.00 175.30 175.78 3hm6 s ARG 1832N 1.18 4.73 0.34 5.12 3.52 0.08 -1.48 118.95 132.45 3hm6 s ARG 1832Ca -0.04 1.37 -0.28 0.00 -0.13 0.00 0.00 55.73 56.64 3hm6 s ARG 1832Cb -0.14 -3.30 -0.10 0.00 -1.56 0.00 0.00 34.95 29.86 3hm6 s ARG 1832CO -0.03 0.47 1.22 -0.51 -0.81 0.00 0.00 175.30 175.64 3hm6 s LEU 1833N -0.90 4.40 -0.23 -0.88 1.43 0.66 -4.40 118.68 118.74 3hm6 s LEU 1833Ca 0.40 2.50 -0.27 0.00 -1.03 0.00 0.00 54.13 55.73 3hm6 s LEU 1833Cb -0.24 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.24 3hm6 s LEU 1833CO 0.30 -0.48 0.95 0.20 0.23 0.00 0.00 176.35 177.54 3hm6 s ASN 1834N -0.76 6.98 0.58 2.29 0.01 0.07 -4.89 114.94 119.23 3hm6 s ASN 1834Ca 0.50 1.23 0.08 0.00 -0.71 0.00 0.00 52.86 53.96 3hm6 s ASN 1834Cb -0.35 -2.49 0.08 0.00 0.41 0.00 0.00 41.25 38.90 3hm6 s ASN 1834CO 0.46 -0.60 0.80 0.42 -1.51 0.00 0.00 177.10 176.67 3hm6 s THR 1835N 3.01 2.24 0.28 1.60 -4.23 -1.26 -2.26 115.64 115.02 3hm6 s THR 1835Ca 0.40 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 3hm6 s THR 1835Cb -0.15 -2.30 0.09 0.00 1.34 0.00 0.00 72.50 71.48 3hm6 s THR 1835CO 0.07 0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 175.83 3hm6 h LEU 1836N 0.13 0.61 -0.78 4.79 3.38 -1.13 -3.03 115.31 119.28 3hm6 h LEU 1836Ca -0.32 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 3hm6 h LEU 1836Cb 1.28 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3hm6 h LEU 1836CO 0.41 0.76 0.32 0.06 0.09 0.00 0.00 178.44 180.08 3hm6 h GLN 1837N 0.57 1.16 -0.56 1.13 -0.00 -0.39 -2.27 115.11 114.74 3hm6 h GLN 1837Ca 0.10 -0.21 0.11 0.00 -0.00 0.00 0.00 58.65 58.65 3hm6 h GLN 1837Cb 0.55 -0.19 -0.09 0.00 -0.00 0.00 0.00 27.48 27.75 3hm6 h GLN 1837CO 0.03 0.94 0.06 1.25 -0.00 0.00 0.00 178.83 181.12 3hm6 h HIS 1838N 1.12 0.08 -0.00 0.06 -0.00 -1.78 -0.83 115.15 113.81 3hm6 h HIS 1838Ca 0.26 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.67 3hm6 h HIS 1838Cb 0.21 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 3hm6 h HIS 1838CO 0.02 -0.08 -0.03 0.66 -0.00 0.00 0.00 177.93 178.50 3hm6 n TYR 1839N -5.19 0.00 -3.71 5.26 4.01 -1.15 -4.92 117.16 111.46 3hm6 n TYR 1839Ca 0.08 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.57 3hm6 n TYR 1839Cb 0.31 -0.08 0.05 0.00 -0.31 0.00 0.00 39.34 39.31 3hm6 n TYR 1839CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3hm6 n LYS 1840N -0.84 -6.50 -2.08 -0.72 4.01 -0.32 -4.95 118.16 106.76 3hm6 n LYS 1840Ca 0.19 0.72 -0.42 0.00 -0.51 0.00 0.00 58.31 58.29 3hm6 n LYS 1840Cb 0.21 -5.64 -0.03 0.00 -0.51 0.00 0.00 35.03 29.06 3hm6 n LYS 1840CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3hm6 s VAL 1841N -3.37 3.60 0.48 -0.18 1.01 -0.88 -4.98 120.40 116.08 3hm6 s VAL 1841Ca 0.46 0.83 -0.07 0.00 0.00 0.00 0.00 61.98 63.20 3hm6 s VAL 1841Cb -0.22 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3hm6 s VAL 1841CO 0.78 -0.05 0.82 -2.16 0.00 0.00 0.00 175.10 174.49 3hm6 s PRO 1842N 3.47 3.61 0.25 2.72 0.04 -1.26 -4.85 135.00 138.99 3hm6 s PRO 1842Ca 0.70 0.35 -0.31 0.00 0.04 0.00 0.00 61.00 61.78 3hm6 s PRO 1842Cb -0.33 -2.34 -0.13 0.00 0.04 0.00 0.00 34.50 31.74 3hm6 s PRO 1842CO 0.28 -0.21 1.39 -3.47 0.04 0.00 0.00 177.00 175.03 3hm6 n ASP 1843N -2.08 2.74 -0.31 6.66 4.64 -1.26 -1.90 116.55 125.04 3hm6 n ASP 1843Ca 0.02 1.15 -0.04 0.00 -1.38 0.00 0.00 54.79 54.54 3hm6 n ASP 1843Cb 0.55 -1.43 -0.02 0.00 -1.04 0.00 0.00 41.12 39.18 3hm6 n ASP 1843CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3hm6 n GLY 1844N 2.01 0.69 3.81 0.27 0.00 0.17 -4.97 105.19 107.17 3hm6 n GLY 1844Ca 0.11 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 3hm6 n GLY 1844CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hm6 s ALA 1845N -2.12 2.91 -0.52 4.61 0.00 -0.80 -4.36 121.76 121.48 3hm6 s ALA 1845Ca 0.00 0.49 -0.24 0.00 0.00 0.00 0.00 51.96 52.21 3hm6 s ALA 1845Cb 0.00 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.94 3hm6 s ALA 1845CO 0.00 -0.29 0.91 0.99 0.00 0.00 0.00 175.76 177.38 3hm6 s THR 1846N -2.16 4.44 -0.20 0.00 2.01 -1.26 -0.29 115.64 118.18 3hm6 s THR 1846Ca 0.65 0.38 -0.02 0.00 0.31 0.00 0.00 61.69 63.01 3hm6 s THR 1846Cb -0.14 -4.49 -0.00 0.00 0.01 0.00 0.00 72.50 67.88 3hm6 s THR 1846CO 0.22 -1.00 -0.08 0.68 -0.69 0.00 0.00 174.62 173.75 3hm6 s VAL 1847N 3.81 3.09 0.33 3.82 -7.23 -0.99 -0.17 120.40 123.06 3hm6 s VAL 1847Ca 0.32 -0.60 0.04 0.00 -1.81 0.00 0.00 61.98 59.93 3hm6 s VAL 1847Cb -0.12 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 3hm6 s VAL 1847CO 0.21 0.46 0.49 0.00 -0.31 0.00 0.00 175.10 175.95 3hm6 s ALA 1848N 1.30 3.99 -0.20 1.32 0.00 0.24 -2.37 121.76 126.04 3hm6 s ALA 1848Ca 0.04 -1.25 -0.03 0.00 0.00 0.00 0.00 51.96 50.72 3hm6 s ALA 1848Cb -0.14 -1.84 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 3hm6 s ALA 1848CO -0.04 -0.02 -0.06 -0.51 0.00 0.00 0.00 175.76 175.13 3hm6 s LEU 1849N -4.21 2.89 0.09 0.00 1.43 -0.82 -0.83 118.68 117.22 3hm6 s LEU 1849Ca 0.42 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 3hm6 s LEU 1849Cb -0.09 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3hm6 s LEU 1849CO 0.32 0.03 -0.10 0.68 0.23 0.00 0.00 176.35 177.51 3hm6 s VAL 1850N 1.20 0.91 0.98 -1.59 -7.23 -0.43 -1.47 120.40 112.76 3hm6 s VAL 1850Ca 0.02 -1.52 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 3hm6 s VAL 1850Cb -0.14 -1.23 0.18 0.00 0.56 0.00 0.00 36.38 35.75 3hm6 s VAL 1850CO -0.02 -0.49 1.13 -2.16 -0.31 0.00 0.00 175.10 173.25 3hm6 s PRO 1851N -2.50 0.58 0.00 4.82 0.04 -1.26 0.16 135.00 136.84 3hm6 s PRO 1851Ca 0.02 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.33 3hm6 s PRO 1851Cb -0.05 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.72 3hm6 s PRO 1851CO 0.00 -2.57 0.00 0.00 0.04 0.00 0.00 177.00 174.47 3hm6 n GLY 1879N 0.00 -1.86 2.92 0.00 0.00 -1.26 -4.97 105.19 100.02 3hm6 n GLY 1879Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.89 3hm6 n GLY 1879CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hm6 n GLY 1880N 0.00 0.68 3.60 -0.02 0.00 -1.26 -4.99 105.19 103.19 3hm6 n GLY 1880Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hm6 n GLY 1880CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hm6 s ILE 1881N -2.92 4.94 0.00 -0.61 1.01 -1.26 -4.89 121.20 117.47 3hm6 s ILE 1881Ca 0.00 0.82 -0.22 0.00 0.00 0.00 0.00 60.65 61.25 3hm6 s ILE 1881Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 3hm6 s ILE 1881CO 0.00 -0.15 0.65 -0.13 0.00 0.00 0.00 174.94 175.31 3hm6 s ARG 1882N 2.60 4.38 0.27 2.79 0.52 0.23 -4.81 118.95 124.93 3hm6 s ARG 1882Ca 0.25 0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 56.00 3hm6 s ARG 1882Cb -0.15 -3.36 -0.09 0.00 0.52 0.00 0.00 34.95 31.87 3hm6 s ARG 1882CO 0.12 0.31 1.05 -1.25 0.02 0.00 0.00 175.30 175.55 3hm6 s PRO 1883N -0.05 4.69 0.17 3.54 0.04 -1.26 -0.65 135.00 141.47 3hm6 s PRO 1883Ca 0.34 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.10 3hm6 s PRO 1883Cb -0.19 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 3hm6 s PRO 1883CO 0.19 0.29 -0.03 1.67 0.04 0.00 0.00 177.00 179.16 3hm6 s TRP 1884N -1.19 1.23 0.00 0.56 1.48 -0.55 -4.90 118.94 115.57 3hm6 s TRP 1884Ca 0.44 -0.93 0.00 0.00 -1.06 0.00 0.00 56.10 54.54 3hm6 s TRP 1884Cb -0.30 -0.69 0.00 0.00 -1.16 0.00 0.00 33.47 31.33 3hm6 s TRP 1884CO 0.38 -0.12 0.00 1.58 -4.06 0.00 0.00 176.95 174.73 3hm6 n HIS 1885N -0.23 0.00 -0.12 1.66 -0.00 -1.26 -0.25 115.22 115.02 3hm6 n HIS 1885Ca -0.08 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.89 3hm6 n HIS 1885Cb 0.62 0.06 -0.10 0.00 -0.12 0.00 0.00 29.99 30.45 3hm6 n HIS 1885CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3hm6 n LEU 1886N -1.86 2.39 -3.74 0.27 4.77 -1.26 -4.76 117.00 112.82 3hm6 n LEU 1886Ca 0.00 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 3hm6 n LEU 1886Cb 0.00 -0.78 -0.12 0.00 -2.33 0.00 0.00 43.42 40.19 3hm6 n LEU 1886CO 0.00 0.71 -0.09 -0.69 -1.33 0.00 0.00 177.39 175.99 3hm6 s VAL 1887N -2.46 -0.03 0.52 4.08 1.01 -1.26 -5.08 120.40 117.18 3hm6 s VAL 1887Ca -0.33 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 3hm6 s VAL 1887Cb 0.11 -0.40 -0.06 0.00 0.00 0.00 0.00 36.38 36.03 3hm6 s VAL 1887CO 0.49 0.04 1.23 -0.54 0.00 0.00 0.00 175.10 176.32 3hm6 s LYS 1888N 1.01 3.35 0.42 2.72 1.02 -1.26 -4.86 119.74 122.14 3hm6 s LYS 1888Ca -0.07 1.90 -0.26 0.00 0.02 0.00 0.00 55.97 57.56 3hm6 s LYS 1888Cb -0.08 -2.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.93 3hm6 s LYS 1888CO -0.07 -0.92 1.37 -1.25 -0.92 0.00 0.00 175.35 173.56 3hm6 s PRO 1889N -2.97 3.89 0.00 -1.68 0.04 -1.26 -5.11 135.00 127.91 3hm6 s PRO 1889Ca 0.70 2.31 0.00 0.00 0.04 0.00 0.00 61.00 64.05 3hm6 s PRO 1889Cb -0.32 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.47 3hm6 s PRO 1889CO 0.37 -0.61 0.00 -1.13 0.04 0.00 0.00 177.00 175.67 3hm6 n SER 1890N 0.07 0.00 -3.79 6.66 3.41 -1.26 -5.22 113.62 113.49 3hm6 n SER 1890Ca 0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.44 3hm6 n SER 1890Cb 0.42 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.20 3hm6 n SER 1890CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hm6 s ILE 1914N 1.35 0.28 0.79 -1.33 1.01 -1.26 -5.35 121.20 116.68 3hm6 s ILE 1914Ca 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 60.65 60.61 3hm6 s ILE 1914Cb 0.00 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 3hm6 s ILE 1914CO 0.00 0.21 0.52 -2.65 0.00 0.00 0.00 174.94 173.02 3hm6 n PRO 1915N 4.69 0.15 -0.13 2.79 -0.02 -1.26 -4.63 135.00 136.60 3hm6 n PRO 1915Ca -0.15 0.10 -0.04 0.00 -2.02 0.00 0.00 63.50 61.38 3hm6 n PRO 1915Cb 0.50 -1.86 0.03 0.00 -0.02 0.00 0.00 33.50 32.15 3hm6 n PRO 1915CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hm6 h GLU 1916N -0.69 0.06 -0.85 -0.52 9.09 -2.04 -0.71 114.58 118.92 3hm6 h GLU 1916Ca -0.45 -0.00 0.19 0.00 0.05 0.00 0.00 59.36 59.15 3hm6 h GLU 1916Cb 1.33 -0.01 -0.16 0.00 -1.65 0.00 0.00 28.75 28.26 3hm6 h GLU 1916CO 0.40 0.04 -0.09 -0.84 0.05 0.00 0.00 179.01 178.57 3hm6 h ILE 1917N 0.07 0.18 0.19 -1.06 -0.00 -1.99 0.21 117.51 115.11 3hm6 h ILE 1917Ca 0.21 -0.01 -0.33 0.00 -0.00 0.00 0.00 64.86 64.72 3hm6 h ILE 1917Cb 0.31 0.14 0.01 0.00 -0.00 0.00 0.00 36.82 37.28 3hm6 h ILE 1917CO -0.38 0.01 -1.58 1.88 -0.00 0.00 0.00 178.15 178.08 3hm6 h TYR 1918N 0.04 0.73 -0.59 0.16 0.99 -1.65 -2.86 116.97 113.78 3hm6 h TYR 1918Ca 0.45 -0.53 -0.03 0.00 2.00 0.00 0.00 58.73 60.62 3hm6 h TYR 1918Cb 0.78 -0.03 -0.03 0.00 1.00 0.00 0.00 36.73 38.46 3hm6 h TYR 1918CO -0.55 1.54 0.26 -0.07 -0.00 0.00 0.00 178.16 179.33 3hm6 h LEU 1919N 0.11 0.76 -0.73 3.88 3.38 -0.88 -1.87 115.31 119.96 3hm6 h LEU 1919Ca -0.28 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 3hm6 h LEU 1919Cb 2.09 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.62 3hm6 h LEU 1919CO 0.21 0.66 0.20 0.74 0.09 0.00 0.00 178.44 180.35 3hm6 h THR 1920N 0.83 1.26 -0.33 0.22 2.02 -0.64 -0.27 112.91 116.00 3hm6 h THR 1920Ca 0.20 -0.95 0.02 0.00 0.77 0.00 0.00 66.41 66.46 3hm6 h THR 1920Cb 0.13 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 3hm6 h THR 1920CO -0.02 0.37 0.17 0.03 0.37 0.00 0.00 175.52 176.44 3hm6 h ARG 1921N 1.10 0.35 -0.32 6.66 -0.00 -1.22 -0.65 114.38 120.29 3hm6 h ARG 1921Ca 0.23 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.98 59.59 3hm6 h ARG 1921Cb 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.23 3hm6 h ARG 1921CO -0.00 0.23 -0.19 -0.07 0.00 0.00 0.00 179.97 179.94 3hm6 h LEU 1922N 0.36 0.73 -0.67 3.04 3.38 -1.04 -2.65 115.31 118.46 3hm6 h LEU 1922Ca 0.13 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 3hm6 h LEU 1922Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3hm6 h LEU 1922CO -0.08 0.99 0.03 -0.07 0.09 0.00 0.00 178.44 179.40 3hm6 h LEU 1923N 0.47 1.03 -0.67 1.67 3.38 -0.99 0.42 115.31 120.63 3hm6 h LEU 1923Ca 0.07 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 57.85 3hm6 h LEU 1923Cb 0.73 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 3hm6 h LEU 1923CO 0.05 1.07 0.32 -1.28 0.09 0.00 0.00 178.44 178.69 3hm6 h SER 1924N 0.98 0.39 0.36 -0.43 0.87 -1.06 0.97 113.55 115.62 3hm6 h SER 1924Ca 0.18 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 3hm6 h SER 1924Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3hm6 h SER 1924CO 0.03 0.23 -0.17 -0.03 -0.53 0.00 0.00 176.83 176.35 3hm6 h MET 1925N 0.54 -0.46 -0.35 2.24 1.85 -1.08 -0.06 114.93 117.61 3hm6 h MET 1925Ca 0.33 0.03 0.08 0.00 -0.61 0.00 0.00 59.70 59.53 3hm6 h MET 1925Cb 0.36 0.11 -0.08 0.00 0.43 0.00 0.00 31.60 32.41 3hm6 h MET 1925CO -0.27 -0.27 -0.19 -0.22 -0.40 0.00 0.00 176.91 175.56 3hm6 h LYS 1926N -0.55 -0.13 -0.39 0.39 3.11 -0.55 -1.65 116.57 116.81 3hm6 h LYS 1926Ca -0.05 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.84 3hm6 h LYS 1926Cb 0.41 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.63 3hm6 h LYS 1926CO 0.08 -0.09 0.15 0.78 -2.81 0.00 0.00 179.45 177.56 3hm6 h GLY 1927N -0.14 0.50 2.00 5.01 0.00 0.11 -1.73 103.07 108.82 3hm6 h GLY 1927Ca 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3hm6 h GLY 1927CO -0.44 0.04 -0.16 -0.84 0.00 0.00 0.00 176.54 175.15 3hm6 h THR 1928N 0.32 0.94 -0.01 4.70 2.02 -0.70 -3.08 112.91 117.10 3hm6 h THR 1928Ca 0.17 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3hm6 h THR 1928Cb 0.14 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3hm6 h THR 1928CO -0.17 0.15 -0.53 0.18 0.37 0.00 0.00 175.52 175.53 3hm6 n LEU 1929N -4.10 1.79 -0.37 2.58 4.77 -0.65 -4.66 117.00 116.36 3hm6 n LEU 1929Ca -0.02 -0.67 -0.02 0.00 -0.03 0.00 0.00 56.01 55.27 3hm6 n LEU 1929Cb 0.23 -0.01 0.11 0.00 -2.33 0.00 0.00 43.42 41.42 3hm6 n LEU 1929CO 0.34 0.34 1.28 -0.61 -1.33 0.00 0.00 177.39 177.41 3hm6 h GLN 1930N 1.98 1.31 -0.38 3.23 5.75 -1.24 -1.50 115.11 124.25 3hm6 h GLN 1930Ca 0.00 -0.09 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3hm6 h GLN 1930Cb 0.70 -0.29 -0.04 0.00 1.07 0.00 0.00 27.48 28.92 3hm6 h GLN 1930CO 0.00 0.88 0.17 -0.22 -2.65 0.00 0.00 178.83 177.01 3hm6 h LYS 1931N 1.34 0.33 -0.88 1.69 1.63 -1.83 0.14 116.57 119.00 3hm6 h LYS 1931Ca 0.36 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.15 3hm6 h LYS 1931Cb -0.13 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.38 3hm6 h LYS 1931CO -0.07 0.22 0.58 0.74 -3.45 0.00 0.00 179.45 177.47 3hm6 h PHE 1932N 0.34 1.10 0.02 1.91 0.05 -1.63 0.08 116.94 118.82 3hm6 h PHE 1932Ca 0.17 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.98 3hm6 h PHE 1932Cb 0.11 -0.37 0.00 0.00 2.00 0.00 0.00 35.95 37.69 3hm6 h PHE 1932CO -0.12 0.69 -0.01 0.28 -0.18 0.00 0.00 178.31 178.97 3hm6 h VAL 1933N 1.18 1.40 -0.57 -0.55 2.07 -0.89 -2.60 116.25 116.29 3hm6 h VAL 1933Ca 0.32 -1.36 0.09 0.00 0.82 0.00 0.00 66.70 66.57 3hm6 h VAL 1933Cb -0.12 2.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.88 3hm6 h VAL 1933CO -0.07 0.35 0.18 0.44 0.02 0.00 0.00 177.57 178.49 3hm6 h ASP 1934N -0.63 0.15 -0.48 0.57 3.32 -0.63 -0.28 116.42 118.44 3hm6 h ASP 1934Ca -0.00 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3hm6 h ASP 1934Cb 0.59 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 3hm6 h ASP 1934CO 0.01 0.10 0.17 0.44 -1.72 0.00 0.00 179.24 178.24 3hm6 h ASP 1935N 0.35 0.72 -0.04 6.45 3.32 -1.01 -0.48 116.42 125.73 3hm6 h ASP 1935Ca 0.29 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 3hm6 h ASP 1935Cb 0.36 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.73 3hm6 h ASP 1935CO -0.31 0.68 -0.43 0.25 -1.72 0.00 0.00 179.24 177.71 3hm6 h LEU 1936N 0.77 0.44 -0.10 1.55 5.85 -0.98 -2.71 115.31 120.14 3hm6 h LEU 1936Ca 0.18 -0.71 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 3hm6 h LEU 1936Cb 0.22 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3hm6 h LEU 1936CO -0.01 1.09 0.03 -0.26 -0.34 0.00 0.00 178.44 178.94 3hm6 h PHE 1937N -0.17 0.16 -0.72 1.25 -1.00 -1.07 -2.14 116.94 113.26 3hm6 h PHE 1937Ca -0.04 -0.02 0.12 0.00 2.81 0.00 0.00 57.97 60.84 3hm6 h PHE 1937Cb 1.12 -0.05 -0.13 0.00 3.61 0.00 0.00 35.95 40.51 3hm6 h PHE 1937CO 0.14 0.32 -0.35 1.96 -1.61 0.00 0.00 178.31 178.77 3hm6 h GLN 1938N -0.04 -0.11 -0.38 1.51 4.20 -1.17 -1.38 115.11 117.74 3hm6 h GLN 1938Ca 0.03 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 3hm6 h GLN 1938Cb 0.24 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3hm6 h GLN 1938CO -0.00 -0.07 -0.21 0.28 -0.67 0.00 0.00 178.83 178.16 3hm6 h VAL 1939N -0.11 1.27 -0.43 -0.54 2.07 -1.32 0.20 116.25 117.39 3hm6 h VAL 1939Ca 0.27 -1.30 -0.12 0.00 0.82 0.00 0.00 66.70 66.37 3hm6 h VAL 1939Cb 0.57 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3hm6 h VAL 1939CO -0.78 0.43 -0.23 0.40 0.02 0.00 0.00 177.57 177.42 3hm6 h ILE 1940N 0.65 1.27 -0.54 4.57 2.04 -0.94 -3.22 117.51 121.35 3hm6 h ILE 1940Ca 0.09 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.59 3hm6 h ILE 1940Cb 0.70 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3hm6 h ILE 1940CO 0.05 0.46 0.00 0.18 0.00 0.00 0.00 178.15 178.85 3hm6 n LEU 1941N -4.11 3.74 -4.76 1.44 4.77 -0.56 -5.04 117.00 112.49 3hm6 n LEU 1941Ca 0.00 -2.17 -0.39 0.00 -0.03 0.00 0.00 56.01 53.42 3hm6 n LEU 1941Cb 0.45 -0.42 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3hm6 n LEU 1941CO 0.46 0.83 1.02 -0.55 -1.33 0.00 0.00 177.39 177.82 3hm6 s SER 1942N -1.05 5.52 -0.12 -1.43 0.15 0.69 -4.58 113.70 112.87 3hm6 s SER 1942Ca 0.39 2.82 0.16 0.00 0.70 0.00 0.00 55.95 60.02 3hm6 s SER 1942Cb 0.23 -2.64 0.30 0.00 -1.71 0.00 0.00 66.02 62.20 3hm6 s SER 1942CO 0.23 -1.41 1.19 0.41 1.20 0.00 0.00 173.24 174.86 3hm6 n THR 1943N -0.69 1.82 0.59 6.45 -1.04 -1.26 -4.55 114.28 115.59 3hm6 n THR 1943Ca 0.08 -1.97 0.07 0.00 -2.04 0.00 0.00 64.05 60.19 3hm6 n THR 1943Cb 0.44 -0.12 0.06 0.00 -1.82 0.00 0.00 70.33 68.89 3hm6 n THR 1943CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hm6 n SER 1944N -1.04 2.21 -4.36 8.00 3.41 -1.26 -4.98 113.62 115.60 3hm6 n SER 1944Ca 0.15 -1.61 -0.23 0.00 -0.26 0.00 0.00 58.87 56.93 3hm6 n SER 1944Cb 0.63 -0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.47 3hm6 n SER 1944CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hm6 s ARG 1945N -1.19 1.35 0.36 4.33 0.52 -1.26 -5.10 118.95 117.95 3hm6 s ARG 1945Ca 0.17 -1.47 -0.28 0.00 -0.52 0.00 0.00 55.73 53.63 3hm6 s ARG 1945Cb 0.12 -1.44 -0.11 0.00 0.52 0.00 0.00 34.95 34.04 3hm6 s ARG 1945CO 0.18 0.29 1.51 -2.14 0.02 0.00 0.00 175.30 175.16 3hm6 s PRO 1946N -2.88 4.11 0.16 3.54 0.02 -1.26 -4.95 135.00 133.74 3hm6 s PRO 1946Ca 0.18 2.57 -0.30 0.00 0.02 0.00 0.00 61.00 63.47 3hm6 s PRO 1946Cb -0.06 -2.98 -0.08 0.00 0.02 0.00 0.00 34.50 31.40 3hm6 s PRO 1946CO 0.08 -0.55 1.30 0.08 -0.33 0.00 0.00 177.00 177.57 3hm6 s VAL 1947N -0.88 3.39 0.29 3.83 1.01 -1.26 -5.00 120.40 121.78 3hm6 s VAL 1947Ca 0.55 1.09 -0.29 0.00 0.00 0.00 0.00 61.98 63.33 3hm6 s VAL 1947Cb -0.47 -3.70 -0.13 0.00 0.00 0.00 0.00 36.38 32.09 3hm6 s VAL 1947CO 0.60 0.14 1.31 -2.65 0.00 0.00 0.00 175.10 174.50 3hm6 n PRO 1948N 3.06 1.99 0.20 2.72 -0.02 -1.26 -4.88 135.00 136.81 3hm6 n PRO 1948Ca 0.07 0.70 0.04 0.00 -2.02 0.00 0.00 63.50 62.30 3hm6 n PRO 1948Cb 0.43 -2.30 0.45 0.00 -0.02 0.00 0.00 33.50 32.07 3hm6 n PRO 1948CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hm6 h LEU 1949N 3.24 0.04 -0.80 2.45 3.38 -1.96 -2.45 115.31 119.21 3hm6 h LEU 1949Ca -0.45 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 3hm6 h LEU 1949Cb 1.29 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3hm6 h LEU 1949CO 0.68 0.26 -0.03 0.00 0.09 0.00 0.00 178.44 179.45 3hm6 h ALA 1950N 1.74 0.99 -0.11 1.53 0.00 -1.93 0.22 119.26 121.70 3hm6 h ALA 1950Ca 0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3hm6 h ALA 1950Cb 0.41 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hm6 h ALA 1950CO 0.03 0.61 -0.03 0.28 0.00 0.00 0.00 179.25 180.14 3hm6 h VAL 1951N 0.81 1.30 -0.15 0.00 2.07 -1.82 0.43 116.25 118.88 3hm6 h VAL 1951Ca 0.15 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.72 3hm6 h VAL 1951Cb 0.52 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 3hm6 h VAL 1951CO 0.03 0.28 -0.06 0.50 0.02 0.00 0.00 177.57 178.34 3hm6 h LYS 1952N -0.10 -0.04 -0.10 1.57 1.63 -1.46 -0.15 116.57 117.91 3hm6 h LYS 1952Ca 0.03 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.87 3hm6 h LYS 1952Cb 0.45 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.03 3hm6 h LYS 1952CO 0.01 -0.03 -0.31 -0.92 -3.45 0.00 0.00 179.45 174.76 3hm6 h TYR 1953N -0.04 -0.84 -0.29 1.91 3.20 -0.51 -1.15 116.97 119.24 3hm6 h TYR 1953Ca 0.08 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 3hm6 h TYR 1953Cb 0.16 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3hm6 h TYR 1953CO -0.20 -0.39 -0.31 0.35 -1.64 0.00 0.00 178.16 175.97 3hm6 h PHE 1954N -0.40 0.71 -0.37 -3.82 3.57 -0.76 -0.67 116.94 115.21 3hm6 h PHE 1954Ca 0.09 -0.18 -0.14 0.00 3.53 0.00 0.00 57.97 61.27 3hm6 h PHE 1954Cb 0.53 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3hm6 h PHE 1954CO -0.38 0.86 -0.33 0.74 -2.23 0.00 0.00 178.31 176.96 3hm6 h PHE 1955N 0.53 1.05 -0.85 0.41 -1.00 -0.93 -1.17 116.94 114.97 3hm6 h PHE 1955Ca 0.06 -0.31 0.03 0.00 2.81 0.00 0.00 57.97 60.57 3hm6 h PHE 1955Cb 0.80 -0.22 -0.05 0.00 3.61 0.00 0.00 35.95 40.08 3hm6 h PHE 1955CO 0.03 1.11 0.55 -0.44 -1.61 0.00 0.00 178.31 177.96 3hm6 h ASP 1956N 0.69 0.92 -0.77 2.17 5.19 -1.09 -0.15 116.42 123.38 3hm6 h ASP 1956Ca 0.06 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.48 3hm6 h ASP 1956Cb 0.92 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 40.18 3hm6 h ASP 1956CO 0.08 0.63 0.51 0.25 -3.12 0.00 0.00 179.24 177.59 3hm6 h LEU 1957N 1.07 0.86 -0.76 1.55 5.85 -0.91 0.40 115.31 123.38 3hm6 h LEU 1957Ca 0.34 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 3hm6 h LEU 1957Cb 0.00 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3hm6 h LEU 1957CO -0.11 0.62 0.35 -0.07 -0.34 0.00 0.00 178.44 178.89 3hm6 h LEU 1958N 1.02 1.02 -0.58 2.25 3.38 -0.87 -1.47 115.31 120.05 3hm6 h LEU 1958Ca 0.29 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3hm6 h LEU 1958Cb -0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 3hm6 h LEU 1958CO -0.07 0.88 0.16 0.44 0.09 0.00 0.00 178.44 179.94 3hm6 h ASP 1959N 1.08 0.86 0.13 -0.43 3.32 -0.50 -1.62 116.42 119.26 3hm6 h ASP 1959Ca 0.26 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3hm6 h ASP 1959Cb 0.14 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3hm6 h ASP 1959CO -0.03 0.85 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.94 3hm6 h GLU 1960N 0.82 -0.19 -0.54 3.56 5.08 -0.88 -1.92 114.58 120.51 3hm6 h GLU 1960Ca 0.18 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.65 3hm6 h GLU 1960Cb 0.31 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 3hm6 h GLU 1960CO -0.00 -0.13 0.16 1.96 -1.00 0.00 0.00 179.01 180.00 3hm6 h GLN 1961N -0.20 0.31 -0.95 2.33 1.08 -1.21 -0.85 115.11 115.62 3hm6 h GLN 1961Ca -0.01 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 3hm6 h GLN 1961Cb 0.17 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.48 3hm6 h GLN 1961CO 0.01 0.20 0.62 0.00 -0.95 0.00 0.00 178.83 178.71 3hm6 h ALA 1962N 1.40 1.23 -0.32 3.87 0.00 -1.16 -2.80 119.26 121.48 3hm6 h ALA 1962Ca 0.27 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 3hm6 h ALA 1962Cb 0.35 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hm6 h ALA 1962CO -0.31 0.53 -0.49 0.37 0.00 0.00 0.00 179.25 179.35 3hm6 h GLN 1963N 1.23 0.89 -0.65 0.00 4.15 -0.53 0.18 115.11 120.37 3hm6 h GLN 1963Ca 0.37 -0.54 0.01 0.00 0.77 0.00 0.00 58.65 59.26 3hm6 h GLN 1963Cb -0.05 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 3hm6 h GLN 1963CO -0.10 1.18 0.43 1.96 -1.93 0.00 0.00 178.83 180.36 3hm6 h GLN 1964N 0.68 0.86 -0.75 1.69 4.20 -0.95 -2.08 115.11 118.76 3hm6 h GLN 1964Ca 0.03 -0.05 -0.23 0.00 0.06 0.00 0.00 58.65 58.45 3hm6 h GLN 1964Cb 1.10 -0.19 -0.14 0.00 0.30 0.00 0.00 27.48 28.55 3hm6 h GLN 1964CO 0.11 0.58 0.29 0.72 -0.67 0.00 0.00 178.83 179.85 3hm6 n HIS 1965N -4.43 2.48 -2.11 2.96 8.25 -1.08 -4.94 115.22 116.35 3hm6 n HIS 1965Ca 0.07 -1.24 -0.18 0.00 -0.26 0.00 0.00 57.72 56.11 3hm6 n HIS 1965Cb 0.04 -0.70 -0.03 0.00 1.12 0.00 0.00 29.99 30.42 3hm6 n HIS 1965CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hm6 n GLY 1966N -0.21 0.26 3.59 -1.41 0.00 -0.78 -4.92 105.19 101.72 3hm6 n GLY 1966Ca 0.42 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 3hm6 n GLY 1966CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hm6 s ILE 1967N -2.77 4.25 -1.22 -0.61 1.09 0.60 -4.83 121.20 117.71 3hm6 s ILE 1967Ca 0.00 1.10 0.21 0.00 -1.10 0.00 0.00 60.65 60.86 3hm6 s ILE 1967Cb 0.00 -4.58 -0.17 0.00 -1.06 0.00 0.00 42.46 36.65 3hm6 s ILE 1967CO 0.00 -1.00 0.96 -1.20 -0.10 0.00 0.00 174.94 173.60 3hm6 n SER 1968N 7.74 1.20 -4.66 3.58 7.64 -1.26 -4.40 113.62 123.46 3hm6 n SER 1968Ca 0.11 -1.08 -0.43 0.00 1.01 0.00 0.00 58.87 58.48 3hm6 n SER 1968Cb 0.49 0.86 -0.02 0.00 -1.01 0.00 0.00 64.21 64.53 3hm6 n SER 1968CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hm6 s ASP 1969N -2.89 6.98 0.18 6.43 2.15 -1.26 -4.90 116.67 123.36 3hm6 s ASP 1969Ca 0.10 1.62 0.10 0.00 0.43 0.00 0.00 52.55 54.80 3hm6 s ASP 1969Cb 0.17 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 40.18 3hm6 s ASP 1969CO 0.80 -0.74 1.36 1.56 -0.17 0.00 0.00 175.17 177.98 3hm6 h GLN 1970N 8.04 0.00 -0.72 4.34 1.08 -1.99 -3.00 115.11 122.85 3hm6 h GLN 1970Ca -0.25 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.00 3hm6 h GLN 1970Cb 1.09 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.47 3hm6 h GLN 1970CO 0.97 0.82 0.43 -0.44 -0.95 0.00 0.00 178.83 179.66 3hm6 h ASP 1971N 0.00 0.67 -0.32 1.46 5.19 -1.98 0.32 116.42 121.76 3hm6 h ASP 1971Ca -0.01 0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.37 3hm6 h ASP 1971Cb 1.59 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.97 3hm6 h ASP 1971CO 0.11 0.44 -0.00 0.74 -3.12 0.00 0.00 179.24 177.41 3hm6 h THR 1972N 0.81 1.26 -0.42 0.35 2.02 -1.96 0.48 112.91 115.45 3hm6 h THR 1972Ca 0.31 -0.96 -0.06 0.00 0.77 0.00 0.00 66.41 66.47 3hm6 h THR 1972Cb 0.13 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3hm6 h THR 1972CO -0.16 0.31 0.03 0.40 0.37 0.00 0.00 175.52 176.48 3hm6 h ILE 1973N 0.37 1.25 0.02 3.11 2.04 -1.39 -0.35 117.51 122.57 3hm6 h ILE 1973Ca 0.09 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 65.02 3hm6 h ILE 1973Cb 0.45 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3hm6 h ILE 1973CO 0.02 0.33 -0.29 -0.74 0.00 0.00 0.00 178.15 177.46 3hm6 h HIS 1974N 0.57 -0.80 -0.49 1.37 2.76 -0.25 -1.65 115.15 116.66 3hm6 h HIS 1974Ca 0.12 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.42 3hm6 h HIS 1974Cb 0.43 0.35 -0.09 0.00 1.55 0.00 0.00 27.41 29.66 3hm6 h HIS 1974CO 0.03 -0.39 -0.06 0.82 -1.30 0.00 0.00 177.93 177.03 3hm6 h ILE 1975N -0.45 0.56 -0.74 6.26 2.04 -0.74 -1.30 117.51 123.14 3hm6 h ILE 1975Ca 0.06 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.97 3hm6 h ILE 1975Cb 0.53 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3hm6 h ILE 1975CO -0.23 0.01 0.42 -0.50 0.00 0.00 0.00 178.15 177.85 3hm6 h TRP 1976N 0.05 0.77 -0.36 1.37 4.06 -0.68 -1.12 115.95 120.05 3hm6 h TRP 1976Ca 0.24 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 61.18 3hm6 h TRP 1976Cb 0.37 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3hm6 h TRP 1976CO -0.36 0.35 0.08 0.87 -3.56 0.00 0.00 178.44 175.81 3hm6 h LYS 1977N 0.75 0.58 -1.00 0.49 1.57 -0.69 -1.32 116.57 116.96 3hm6 h LYS 1977Ca 0.34 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 3hm6 h LYS 1977Cb 0.23 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 3hm6 h LYS 1977CO -0.20 0.64 0.65 1.15 -0.57 0.00 0.00 179.45 181.12 3hm6 h THR 1978N 0.43 1.15 0.00 -0.16 2.02 -0.87 -2.18 112.91 113.30 3hm6 h THR 1978Ca 0.11 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3hm6 h THR 1978Cb 0.33 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3hm6 h THR 1978CO 0.00 0.23 -0.16 0.59 0.37 0.00 0.00 175.52 176.55 3hm6 n ASN 1979N -4.46 0.44 -0.01 4.18 4.13 -0.46 -0.37 115.26 118.71 3hm6 n ASN 1979Ca 0.14 0.37 -0.07 0.00 1.68 0.00 0.00 54.58 56.70 3hm6 n ASN 1979Cb 0.11 -0.40 -0.13 0.00 -1.54 0.00 0.00 39.78 37.83 3hm6 n ASN 1979CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3hm6 h SER 1980N 0.00 0.00 0.00 6.41 0.02 -0.75 -3.41 113.55 115.82 3hm6 h SER 1980Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hm6 h SER 1980Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3hm6 h SER 1980CO 0.00 0.93 0.00 -0.11 -1.14 0.00 0.00 176.83 176.51 3hm6 n LEU 1981N -3.03 0.00 -0.01 5.07 7.94 -0.86 -4.67 117.00 121.44 3hm6 n LEU 1981Ca -0.15 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.64 3hm6 n LEU 1981Cb 1.01 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.91 3hm6 n LEU 1981CO 0.45 -0.39 0.61 -0.65 -1.11 0.00 0.00 177.39 176.29 3hm6 h PRO 1982N 0.00 -0.43 -0.77 1.96 0.11 -1.72 0.45 132.00 131.61 3hm6 h PRO 1982Ca 0.00 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3hm6 h PRO 1982Cb 0.00 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 3hm6 h PRO 1982CO 0.00 -0.28 0.03 1.28 -0.21 0.00 0.00 178.00 178.82 3hm6 n LEU 1983N -5.43 3.95 0.00 2.35 4.77 0.50 -0.66 117.00 122.48 3hm6 n LEU 1983Ca -0.03 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 3hm6 n LEU 1983Cb 0.35 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3hm6 n LEU 1983CO 0.13 0.50 -0.22 -1.14 -1.33 0.00 0.00 177.39 175.34 3hm6 n ARG 1984N 0.30 0.29 -0.03 3.23 0.63 -1.07 -4.90 116.66 115.11 3hm6 n ARG 1984Ca 0.18 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.03 3hm6 n ARG 1984Cb 0.85 -0.72 -0.03 0.00 0.45 0.00 0.00 32.46 33.02 3hm6 n ARG 1984CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3hm6 n PHE 1985N -1.80 0.00 -0.13 -0.14 7.35 0.16 -4.52 117.46 118.37 3hm6 n PHE 1985Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 3hm6 n PHE 1985Cb 0.22 -0.28 -0.02 0.00 0.35 0.00 0.00 39.48 39.75 3hm6 n PHE 1985CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 3hm6 h TRP 1986N -0.34 1.01 -0.47 -5.13 -0.00 -1.16 -2.51 115.95 107.35 3hm6 h TRP 1986Ca -0.15 -0.27 -0.03 0.00 -0.00 0.00 0.00 58.89 58.44 3hm6 h TRP 1986Cb 0.89 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.16 29.80 3hm6 h TRP 1986CO -0.07 1.05 0.16 0.97 -0.00 0.00 0.00 178.44 180.54 3hm6 h ILE 1987N 0.68 1.19 -0.31 1.49 2.10 -1.16 -1.45 117.51 120.05 3hm6 h ILE 1987Ca 0.08 -0.64 0.02 0.00 1.08 0.00 0.00 64.86 65.40 3hm6 h ILE 1987Cb 0.81 0.66 -0.02 0.00 -1.09 0.00 0.00 36.82 37.18 3hm6 h ILE 1987CO 0.07 0.24 0.17 -1.13 -1.08 0.00 0.00 178.15 176.42 3hm6 h ASN 1988N 0.68 0.26 0.24 2.19 -1.24 -1.73 -1.41 115.58 114.57 3hm6 h ASN 1988Ca 0.16 0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.04 3hm6 h ASN 1988Cb 0.19 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 3hm6 h ASN 1988CO -0.01 0.19 -0.53 0.40 -1.29 0.00 0.00 177.43 176.19 3hm6 h ILE 1989N 0.35 1.35 -0.10 2.57 1.08 -1.15 -1.14 117.51 120.46 3hm6 h ILE 1989Ca 0.13 -1.81 -0.04 0.00 -0.39 0.00 0.00 64.86 62.75 3hm6 h ILE 1989Cb 0.03 1.85 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 3hm6 h ILE 1989CO -0.08 0.54 -0.10 0.40 -0.69 0.00 0.00 178.15 178.22 3hm6 h ILE 1990N 0.25 1.36 0.00 -0.67 2.04 -1.10 -3.22 117.51 116.17 3hm6 h ILE 1990Ca 0.01 -1.26 -0.09 0.00 1.00 0.00 0.00 64.86 64.52 3hm6 h ILE 1990Cb 1.02 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3hm6 h ILE 1990CO 0.09 0.36 -0.42 0.11 0.00 0.00 0.00 178.15 178.29 3hm6 h LYS 1991N -0.15 0.00 -2.41 2.37 1.57 -1.20 -3.38 116.57 113.37 3hm6 h LYS 1991Ca 0.02 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.20 3hm6 h LYS 1991Cb 0.62 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.52 3hm6 h LYS 1991CO 0.03 0.42 -0.75 0.09 -0.57 0.00 0.00 179.45 178.66 3hm6 n ASN 1992N -3.69 2.20 0.28 0.86 3.02 -0.44 -4.88 115.26 112.61 3hm6 n ASN 1992Ca -0.01 -3.07 0.13 0.00 -0.03 0.00 0.00 54.58 51.60 3hm6 n ASN 1992Cb 0.50 -0.67 0.83 0.00 -0.61 0.00 0.00 39.78 39.83 3hm6 n ASN 1992CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3hm6 h PRO 1993N 4.67 0.00 0.00 3.52 0.13 -1.74 -1.15 132.00 137.42 3hm6 h PRO 1993Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3hm6 h PRO 1993Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3hm6 h PRO 1993CO 0.66 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 3hm6 n GLN 1994N -3.99 0.48 0.14 0.86 0.00 -1.26 -0.93 117.38 112.67 3hm6 n GLN 1994Ca -0.03 0.01 0.13 0.00 0.00 0.00 0.00 57.00 57.11 3hm6 n GLN 1994Cb 0.10 -1.50 0.28 0.00 0.00 0.00 0.00 30.24 29.13 3hm6 n GLN 1994CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 3hm6 h PHE 1995N 0.00 0.00 0.00 2.61 0.05 -1.56 -3.39 116.94 114.65 3hm6 h PHE 1995Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3hm6 h PHE 1995Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.96 3hm6 h PHE 1995CO 0.00 0.00 -0.99 0.28 -0.18 0.00 0.00 178.31 177.42 3hm6 n VAL 1996N -2.55 0.00 -4.68 -0.55 0.31 -0.67 -4.37 118.33 105.82 3hm6 n VAL 1996Ca 0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.08 3hm6 n VAL 1996Cb 0.47 -0.90 -0.14 0.00 -0.91 0.00 0.00 33.84 32.36 3hm6 n VAL 1996CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3hm6 s PHE 1997N -1.99 2.32 -1.37 3.52 0.40 -0.11 -0.63 117.98 120.12 3hm6 s PHE 1997Ca 0.00 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 55.78 3hm6 s PHE 1997Cb 0.00 -1.33 0.04 0.00 0.51 0.00 0.00 43.02 42.24 3hm6 s PHE 1997CO 0.00 0.22 2.03 -3.47 0.70 0.00 0.00 175.22 174.70 3hm6 n ASP 1998N 1.39 4.23 -4.28 1.36 2.03 0.89 -4.34 116.55 117.83 3hm6 n ASP 1998Ca -0.17 -2.86 -0.15 0.00 0.52 0.00 0.00 54.79 52.12 3hm6 n ASP 1998Cb 0.52 -1.68 -0.10 0.00 -0.72 0.00 0.00 41.12 39.14 3hm6 n ASP 1998CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3hm6 s VAL 1999N 3.79 1.02 0.15 5.18 -7.23 -1.26 -4.34 120.40 117.71 3hm6 s VAL 1999Ca 0.50 -2.03 0.08 0.00 -1.81 0.00 0.00 61.98 58.71 3hm6 s VAL 1999Cb 0.10 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3hm6 s VAL 1999CO -0.01 -0.52 -0.06 0.00 -0.31 0.00 0.00 175.10 174.20 3hm6 s GLN 2000N -3.83 2.23 0.53 4.82 -2.07 -1.26 -4.75 119.66 115.33 3hm6 s GLN 2000Ca 0.23 -1.12 0.05 0.00 -1.82 0.00 0.00 55.36 52.70 3hm6 s GLN 2000Cb 0.05 -2.29 0.03 0.00 -1.09 0.00 0.00 33.01 29.70 3hm6 s GLN 2000CO 0.05 0.47 0.34 -0.08 -1.32 0.00 0.00 175.29 174.74 3hm6 s THR 2001N -1.55 1.65 0.21 3.63 -1.32 -1.26 -5.06 115.64 111.95 3hm6 s THR 2001Ca 0.25 -1.56 0.01 0.00 -1.21 0.00 0.00 61.69 59.17 3hm6 s THR 2001Cb -0.10 -2.22 -0.05 0.00 -1.51 0.00 0.00 72.50 68.63 3hm6 s THR 2001CO 0.16 0.00 0.08 -0.94 -2.21 0.00 0.00 174.62 171.71 3hm6 s SER 2002N -4.20 0.91 0.42 8.08 1.04 -1.26 -5.03 113.70 113.65 3hm6 s SER 2002Ca 0.31 -1.32 0.08 0.00 0.48 0.00 0.00 55.95 55.50 3hm6 s SER 2002Cb -0.01 0.21 0.89 0.00 0.10 0.00 0.00 66.02 67.20 3hm6 s SER 2002CO 0.19 -0.71 2.04 0.44 0.98 0.00 0.00 173.24 176.18 3hm6 h ASP 2003N 2.55 0.38 0.17 7.02 3.32 -1.99 0.34 116.42 128.21 3hm6 h ASP 2003Ca -0.37 -0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.42 3hm6 h ASP 2003Cb 1.23 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 40.71 3hm6 h ASP 2003CO 0.60 0.32 -1.04 -1.13 -1.72 0.00 0.00 179.24 176.26 3hm6 h ASN 2004N 0.43 0.57 -0.66 6.45 -1.24 -1.97 -1.37 115.58 117.80 3hm6 h ASN 2004Ca 0.11 -0.94 0.12 0.00 0.71 0.00 0.00 56.30 56.30 3hm6 h ASN 2004Cb 0.03 -0.18 -0.12 0.00 0.73 0.00 0.00 38.32 38.77 3hm6 h ASN 2004CO -0.02 1.50 -0.29 -0.03 -1.29 0.00 0.00 177.43 177.30 3hm6 h MET 2005N -0.23 -0.10 -0.74 6.67 4.05 -1.95 -0.71 114.93 121.93 3hm6 h MET 2005Ca -0.19 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.31 3hm6 h MET 2005Cb 1.80 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 32.56 3hm6 h MET 2005CO 0.18 -0.07 0.42 -0.44 0.23 0.00 0.00 176.91 177.24 3hm6 h ASP 2006N -0.10 0.63 -0.03 1.39 3.45 -0.89 -0.41 116.42 120.45 3hm6 h ASP 2006Ca 0.28 0.03 -0.10 0.00 0.43 0.00 0.00 57.03 57.66 3hm6 h ASP 2006Cb 0.55 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 3hm6 h ASP 2006CO -0.72 0.39 -0.30 0.00 -1.57 0.00 0.00 179.24 177.05 3hm6 h ALA 2007N 1.38 1.04 0.20 3.45 0.00 -0.75 -0.22 119.26 124.37 3hm6 h ALA 2007Ca 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hm6 h ALA 2007Cb 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hm6 h ALA 2007CO -0.20 0.58 -0.10 0.28 0.00 0.00 0.00 179.25 179.82 3hm6 h VAL 2008N 0.42 0.89 -0.09 0.00 2.07 -0.75 -2.96 116.25 115.84 3hm6 h VAL 2008Ca 0.06 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3hm6 h VAL 2008Cb 0.73 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3hm6 h VAL 2008CO 0.06 0.15 0.04 -0.07 0.02 0.00 0.00 177.57 177.77 3hm6 h LEU 2009N -0.62 0.10 -0.51 2.57 3.38 -1.03 -2.42 115.31 116.78 3hm6 h LEU 2009Ca -0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hm6 h LEU 2009Cb 0.45 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3hm6 h LEU 2009CO 0.05 0.09 0.19 0.25 0.09 0.00 0.00 178.44 179.10 3hm6 h LEU 2010N 0.12 0.71 -0.33 1.67 5.85 -1.03 0.12 115.31 122.41 3hm6 h LEU 2010Ca 0.03 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3hm6 h LEU 2010Cb 0.01 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3hm6 h LEU 2010CO -0.00 0.70 0.17 0.58 -0.34 0.00 0.00 178.44 179.55 3hm6 h VAL 2011N 0.68 1.15 -0.75 1.05 2.07 -1.27 0.21 116.25 119.40 3hm6 h VAL 2011Ca 0.17 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3hm6 h VAL 2011Cb 0.22 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3hm6 h VAL 2011CO -0.01 0.15 0.36 0.40 0.02 0.00 0.00 177.57 178.49 3hm6 h ILE 2012N 0.41 1.24 -0.55 4.57 2.04 -1.44 -0.66 117.51 123.13 3hm6 h ILE 2012Ca 0.12 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3hm6 h ILE 2012Cb 0.09 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 3hm6 h ILE 2012CO -0.02 0.29 0.28 0.00 0.00 0.00 0.00 178.15 178.70 3hm6 h ALA 2013N 1.18 0.70 -0.89 1.87 0.00 -0.37 -1.26 119.26 120.50 3hm6 h ALA 2013Ca 0.26 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hm6 h ALA 2013Cb 0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3hm6 h ALA 2013CO -0.03 0.25 0.58 1.96 0.00 0.00 0.00 179.25 182.02 3hm6 h GLN 2014N 0.74 1.09 -0.66 0.00 4.20 -0.24 -0.09 115.11 120.15 3hm6 h GLN 2014Ca 0.19 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 3hm6 h GLN 2014Cb 0.10 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 3hm6 h GLN 2014CO -0.03 0.72 0.15 1.15 -0.67 0.00 0.00 178.83 180.15 3hm6 h THR 2015N 1.12 1.26 -0.09 -0.54 2.02 -0.82 -0.43 112.91 115.43 3hm6 h THR 2015Ca 0.35 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3hm6 h THR 2015Cb -0.00 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3hm6 h THR 2015CO -0.10 0.36 0.02 0.15 0.37 0.00 0.00 175.52 176.33 3hm6 h PHE 2016N 1.00 0.15 -0.44 3.16 3.57 -0.62 -1.56 116.94 122.20 3hm6 h PHE 2016Ca 0.21 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.78 3hm6 h PHE 2016Cb 0.37 -0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.98 3hm6 h PHE 2016CO 0.03 0.32 -0.17 1.98 -2.23 0.00 0.00 178.31 178.24 3hm6 h MET 2017N -0.05 -0.07 -0.16 1.11 4.05 -0.92 -1.99 114.93 116.89 3hm6 h MET 2017Ca 0.03 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 3hm6 h MET 2017Cb 0.24 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 3hm6 h MET 2017CO 0.00 -0.05 0.03 -0.44 0.23 0.00 0.00 176.91 176.68 3hm6 h ASP 2018N -0.07 0.20 -0.08 1.39 3.32 -0.87 -0.84 116.42 119.47 3hm6 h ASP 2018Ca 0.21 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3hm6 h ASP 2018Cb 0.40 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3hm6 h ASP 2018CO -0.49 0.22 0.01 0.00 -1.72 0.00 0.00 179.24 177.25 3hm6 h ALA 2019N 1.82 1.72 -0.01 3.45 0.00 -0.54 -3.10 119.26 122.59 3hm6 h ALA 2019Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hm6 h ALA 2019Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hm6 h ALA 2019CO -0.00 0.22 -0.23 0.00 0.00 0.00 0.00 179.25 179.24 3hm6 s THR 2021N -2.32 5.26 -0.78 0.00 2.01 -0.95 -4.89 115.64 113.97 3hm6 s THR 2021Ca 0.26 -0.46 0.18 0.00 0.31 0.00 0.00 61.69 61.98 3hm6 s THR 2021Cb 0.19 -3.72 -0.20 0.00 0.01 0.00 0.00 72.50 68.78 3hm6 s THR 2021CO 0.46 -0.11 0.73 0.18 -0.69 0.00 0.00 174.62 175.19 3hm6 n LEU 2022N -0.52 0.78 -4.64 4.42 4.77 -1.26 -4.93 117.00 115.62 3hm6 n LEU 2022Ca -0.05 -0.46 -0.43 0.00 -0.03 0.00 0.00 56.01 55.03 3hm6 n LEU 2022Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 3hm6 n LEU 2022CO 0.49 0.19 1.17 0.00 -1.33 0.00 0.00 177.39 177.91 3hm6 s ALA 2023N -2.72 3.42 -0.66 -1.18 0.00 -1.26 -5.24 121.76 114.12 3hm6 s ALA 2023Ca 0.06 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.07 3hm6 s ALA 2023Cb 0.13 -3.76 0.08 0.00 0.00 0.00 0.00 23.12 19.58 3hm6 s ALA 2023CO 0.73 -1.67 0.92 -0.51 0.00 0.00 0.00 175.76 175.23 3hm6 s ASP 2024N 2.90 6.20 0.00 0.00 1.01 -1.26 -5.13 116.67 120.39 3hm6 s ASP 2024Ca 0.59 -1.16 0.00 0.00 0.71 0.00 0.00 52.55 52.69 3hm6 s ASP 2024Cb -0.20 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.34 3hm6 s ASP 2024CO 0.23 -1.35 0.00 -1.54 0.21 0.00 0.00 175.17 172.72 3hm6 n SER 2031N 7.33 0.00 -4.58 0.27 3.41 -1.26 -5.26 113.62 113.52 3hm6 n SER 2031Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.16 3hm6 n SER 2031Cb 0.45 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.41 3hm6 n SER 2031CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3hm6 n PRO 2032N -1.62 1.18 0.27 4.33 -0.02 -1.26 -4.79 135.00 133.08 3hm6 n PRO 2032Ca 0.00 0.43 0.16 0.00 -2.02 0.00 0.00 63.50 62.06 3hm6 n PRO 2032Cb 0.00 -1.96 0.62 0.00 -0.02 0.00 0.00 33.50 32.14 3hm6 n PRO 2032CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3hm6 h ILE 2033N 1.33 0.09 -0.62 4.25 1.08 -2.00 -0.67 117.51 120.96 3hm6 h ILE 2033Ca -0.44 -0.64 -0.02 0.00 -0.39 0.00 0.00 64.86 63.37 3hm6 h ILE 2033Cb 1.35 1.58 -0.03 0.00 -3.07 0.00 0.00 36.82 36.65 3hm6 h ILE 2033CO 0.55 0.03 0.30 -0.55 -0.69 0.00 0.00 178.15 177.79 3hm6 h ASN 2034N 0.00 0.82 0.59 1.72 -1.07 -1.88 -1.88 115.58 113.88 3hm6 h ASN 2034Ca -0.00 -0.13 -0.05 0.00 0.07 0.00 0.00 56.30 56.19 3hm6 h ASN 2034Cb 0.58 -0.21 -0.01 0.00 -2.07 0.00 0.00 38.32 36.61 3hm6 h ASN 2034CO 0.00 0.72 -0.22 0.11 0.07 0.00 0.00 177.43 178.12 3hm6 h LYS 2035N 0.86 0.00 0.02 4.14 1.57 -1.46 0.76 116.57 122.45 3hm6 h LYS 2035Ca 0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3hm6 h LYS 2035Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3hm6 h LYS 2035CO -0.03 0.22 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.00 3hm6 h LEU 2036N 0.00 -0.02 -0.78 2.94 3.38 -1.38 -2.88 115.31 116.57 3hm6 h LEU 2036Ca -0.00 -0.72 -0.09 0.00 0.09 0.00 0.00 57.88 57.16 3hm6 h LEU 2036Cb 0.57 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3hm6 h LEU 2036CO 0.03 0.74 -0.42 -0.07 0.09 0.00 0.00 178.44 178.81 3hm6 h LEU 2037N -0.80 0.00 -3.17 1.67 3.38 -1.06 -3.23 115.31 112.11 3hm6 h LEU 2037Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3hm6 h LEU 2037Cb 0.74 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 3hm6 h LEU 2037CO 0.00 0.42 -0.25 -1.22 0.09 0.00 0.00 178.44 177.48 3hm6 n TYR 2038N -3.49 0.52 -0.06 1.13 4.02 0.23 -4.77 117.16 114.74 3hm6 n TYR 2038Ca 0.00 -1.46 -0.07 0.00 -0.01 0.00 0.00 57.90 56.35 3hm6 n TYR 2038Cb 0.55 -0.35 -0.01 0.00 -0.02 0.00 0.00 39.34 39.51 3hm6 n TYR 2038CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hm6 h ALA 2039N 0.95 0.00 -0.27 -0.72 0.00 -1.52 -1.31 119.26 116.39 3hm6 h ALA 2039Ca 0.10 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3hm6 h ALA 2039Cb 1.31 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 3hm6 h ALA 2039CO 0.18 -0.59 0.10 -0.09 0.00 0.00 0.00 179.25 178.85 3hm6 h ARG 2040N -0.16 0.22 0.13 0.00 2.43 -1.88 -3.34 114.38 111.78 3hm6 h ARG 2040Ca 0.15 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 59.01 3hm6 h ARG 2040Cb 0.38 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3hm6 h ARG 2040CO -0.37 0.15 -1.24 -0.44 -1.51 0.00 0.00 179.97 176.56 3hm6 h ASP 2041N 0.23 0.77 -0.52 -3.80 3.32 -1.77 -3.37 116.42 111.28 3hm6 h ASP 2041Ca 0.12 -0.73 0.09 0.00 0.02 0.00 0.00 57.03 56.53 3hm6 h ASP 2041Cb 0.08 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.31 3hm6 h ASP 2041CO -0.11 1.54 0.11 0.40 -1.72 0.00 0.00 179.24 179.46 3hm6 h ILE 2042N 0.23 0.71 -0.15 0.35 2.04 -1.38 0.11 117.51 119.41 3hm6 h ILE 2042Ca -0.18 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.64 3hm6 h ILE 2042Cb 1.92 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 3hm6 h ILE 2042CO 0.23 0.05 0.12 -0.65 0.00 0.00 0.00 178.15 177.90 3hm6 h PRO 2043N 0.25 0.00 0.17 2.37 0.11 -1.77 -1.54 132.00 131.59 3hm6 h PRO 2043Ca 0.26 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.12 3hm6 h PRO 2043Cb 0.36 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.48 3hm6 h PRO 2043CO -0.34 0.00 -1.17 -0.09 -0.21 0.00 0.00 178.00 176.20 3hm6 h ARG 2044N 0.00 0.35 -0.26 1.05 2.43 -1.22 -3.20 114.38 113.53 3hm6 h ARG 2044Ca 0.07 -0.60 -0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3hm6 h ARG 2044Cb 0.32 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3hm6 h ARG 2044CO -0.00 1.29 0.15 1.88 -1.51 0.00 0.00 179.97 181.77 3hm6 h TYR 2045N -0.20 0.34 -0.99 2.20 0.99 -1.00 -2.61 116.97 115.69 3hm6 h TYR 2045Ca -0.22 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.54 3hm6 h TYR 2045Cb 1.82 -0.11 -0.05 0.00 1.00 0.00 0.00 36.73 39.39 3hm6 h TYR 2045CO 0.16 0.23 0.65 0.87 -0.00 0.00 0.00 178.16 180.08 3hm6 h LYS 2046N 0.36 1.26 -0.57 4.88 1.57 -1.34 -0.45 116.57 122.28 3hm6 h LYS 2046Ca 0.09 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 3hm6 h LYS 2046Cb 0.00 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 3hm6 h LYS 2046CO -0.02 0.83 -0.07 0.00 -0.57 0.00 0.00 179.45 179.63 3hm6 h ARG 2047N 1.30 1.06 -0.43 3.15 2.47 -1.47 -1.00 114.38 119.47 3hm6 h ARG 2047Ca 0.38 -0.37 0.02 0.00 -1.26 0.00 0.00 59.98 58.74 3hm6 h ARG 2047Cb -0.08 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.14 3hm6 h ARG 2047CO -0.10 1.07 0.26 0.52 0.56 0.00 0.00 179.97 182.28 3hm6 h MET 2048N 0.95 0.50 -0.33 0.04 2.86 -1.11 -1.42 114.93 116.42 3hm6 h MET 2048Ca 0.15 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3hm6 h MET 2048Cb 0.64 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 3hm6 h MET 2048CO 0.04 0.33 0.21 0.28 1.06 0.00 0.00 176.91 178.83 3hm6 h VAL 2049N 0.52 1.10 -0.47 -2.22 2.07 -0.87 -1.07 116.25 115.32 3hm6 h VAL 2049Ca 0.17 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.49 3hm6 h VAL 2049Cb -0.00 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 3hm6 h VAL 2049CO -0.07 0.10 0.25 -0.08 0.02 0.00 0.00 177.57 177.79 3hm6 h GLU 2050N 0.44 0.48 -0.56 1.57 4.81 -1.08 -1.87 114.58 118.36 3hm6 h GLU 2050Ca 0.12 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3hm6 h GLU 2050Cb -0.01 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3hm6 h GLU 2050CO -0.02 0.31 0.37 0.00 -0.73 0.00 0.00 179.01 178.94 3hm6 h ARG 2051N 0.49 0.73 0.11 1.92 2.47 -1.13 -2.68 114.38 116.29 3hm6 h ARG 2051Ca 0.20 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.89 3hm6 h ARG 2051Cb 0.08 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.21 3hm6 h ARG 2051CO -0.13 0.48 -0.23 -0.92 0.56 0.00 0.00 179.97 179.74 3hm6 h TYR 2052N 0.75 -0.61 -0.69 3.04 3.20 -0.74 0.41 116.97 122.34 3hm6 h TYR 2052Ca 0.21 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 3hm6 h TYR 2052Cb -0.08 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3hm6 h TYR 2052CO -0.04 -0.33 0.41 1.88 -1.64 0.00 0.00 178.16 178.45 3hm6 h TYR 2053N -0.42 0.91 -0.40 -3.82 0.99 -1.39 -1.91 116.97 110.92 3hm6 h TYR 2053Ca 0.03 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.70 3hm6 h TYR 2053Cb 0.45 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 37.86 3hm6 h TYR 2053CO -0.22 0.61 -0.01 0.00 -0.00 0.00 0.00 178.16 178.54 3hm6 h ALA 2054N 1.50 0.54 -0.53 3.88 0.00 -1.09 -1.83 119.26 121.74 3hm6 h ALA 2054Ca 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hm6 h ALA 2054Cb -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3hm6 h ALA 2054CO -0.05 0.33 0.26 0.22 0.00 0.00 0.00 179.25 180.02 3hm6 h ASP 2055N 0.55 0.68 -0.24 0.00 3.58 0.04 -2.00 116.42 119.03 3hm6 h ASP 2055Ca 0.11 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3hm6 h ASP 2055Cb 0.49 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 3hm6 h ASP 2055CO 0.02 0.61 0.15 0.40 -2.88 0.00 0.00 179.24 177.54 3hm6 h ILE 2056N 0.70 1.08 -0.88 2.25 2.04 -1.31 -0.82 117.51 120.58 3hm6 h ILE 2056Ca 0.18 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3hm6 h ILE 2056Cb 0.10 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3hm6 h ILE 2056CO -0.02 0.08 0.52 -0.09 0.00 0.00 0.00 178.15 178.64 3hm6 h ARG 2057N 0.31 1.20 0.00 2.37 2.43 -1.19 -2.80 114.38 116.71 3hm6 h ARG 2057Ca 0.09 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 3hm6 h ARG 2057Cb -0.01 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 3hm6 h ARG 2057CO -0.02 0.85 -0.49 1.96 -1.51 0.00 0.00 179.97 180.76 3hm6 h GLN 2058N 1.22 0.00 -7.31 0.20 7.50 -1.12 -3.47 115.11 112.13 3hm6 h GLN 2058Ca 0.32 0.00 -0.49 0.00 0.50 0.00 0.00 58.65 58.98 3hm6 h GLN 2058Cb -0.04 0.00 0.16 0.00 0.05 0.00 0.00 27.48 27.65 3hm6 h GLN 2058CO -0.06 0.49 0.24 0.95 -1.50 0.00 0.00 178.83 178.95 3hm6 s THR 2059N -3.24 2.67 0.33 -0.54 -4.23 -0.33 -4.94 115.64 105.36 3hm6 s THR 2059Ca 0.02 0.22 -0.29 0.00 -1.18 0.00 0.00 61.69 60.46 3hm6 s THR 2059Cb 0.09 -2.60 -0.12 0.00 1.34 0.00 0.00 72.50 71.21 3hm6 s THR 2059CO 0.72 -0.28 1.49 0.55 -0.54 0.00 0.00 174.62 176.56 3hm6 n VAL 2060N -3.94 1.60 -1.90 2.29 3.14 -1.26 -4.97 118.33 113.29 3hm6 n VAL 2060Ca 0.08 -0.40 -0.29 0.00 -2.96 0.00 0.00 64.34 60.76 3hm6 n VAL 2060Cb 0.54 -1.87 0.08 0.00 -1.06 0.00 0.00 33.84 31.53 3hm6 n VAL 2060CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3hm6 s PRO 2061N -1.42 2.18 -0.39 1.45 0.04 -1.26 -5.03 135.00 130.57 3hm6 s PRO 2061Ca 0.58 0.19 -0.16 0.00 0.04 0.00 0.00 61.00 61.65 3hm6 s PRO 2061Cb -0.51 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.07 3hm6 s PRO 2061CO 0.58 -1.46 0.39 0.00 0.04 0.00 0.00 177.00 176.54 3hm6 s ALA 2062N -3.53 3.46 0.69 8.56 0.00 -1.26 -5.06 121.76 124.62 3hm6 s ALA 2062Ca 0.61 -1.41 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 3hm6 s ALA 2062Cb -0.11 -2.94 0.01 0.00 0.00 0.00 0.00 23.12 20.09 3hm6 s ALA 2062CO 0.50 -1.36 1.22 -1.54 0.00 0.00 0.00 175.76 174.57 3hm6 s SER 2063N 1.76 4.49 0.23 0.00 1.04 -1.26 -4.77 113.70 115.20 3hm6 s SER 2063Ca 0.11 2.39 -0.06 0.00 0.48 0.00 0.00 55.95 58.87 3hm6 s SER 2063Cb -0.17 -2.59 0.37 0.00 0.10 0.00 0.00 66.02 63.73 3hm6 s SER 2063CO 0.12 -2.06 1.75 0.44 0.98 0.00 0.00 173.24 174.47 3hm6 h ASP 2064N 0.09 0.35 -0.50 7.02 3.32 -1.98 0.66 116.42 125.37 3hm6 h ASP 2064Ca -0.49 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3hm6 h ASP 2064Cb 1.30 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 3hm6 h ASP 2064CO 0.51 0.18 0.28 -0.61 -1.72 0.00 0.00 179.24 177.88 3hm6 h GLN 2065N 0.51 0.70 -0.67 3.56 5.75 -1.98 0.23 115.11 123.20 3hm6 h GLN 2065Ca 0.37 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.81 3hm6 h GLN 2065Cb 0.47 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.84 3hm6 h GLN 2065CO -0.33 0.54 0.43 0.93 -2.65 0.00 0.00 178.83 177.75 3hm6 h GLU 2066N 0.67 0.82 -0.41 1.69 5.08 -1.74 -0.89 114.58 119.80 3hm6 h GLU 2066Ca 0.18 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 3hm6 h GLU 2066Cb 0.04 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3hm6 h GLU 2066CO -0.03 0.54 -0.31 1.98 -1.00 0.00 0.00 179.01 180.19 3hm6 h MET 2067N 0.84 0.94 -0.04 2.33 4.05 -0.29 -1.99 114.93 120.77 3hm6 h MET 2067Ca 0.27 -0.46 -0.11 0.00 -0.28 0.00 0.00 59.70 59.11 3hm6 h MET 2067Cb -0.01 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 3hm6 h MET 2067CO -0.09 1.12 -0.51 -0.91 0.23 0.00 0.00 176.91 176.74 3hm6 h ASN 2068N 0.76 0.10 -0.22 1.39 2.35 -0.40 0.15 115.58 119.72 3hm6 h ASN 2068Ca 0.08 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3hm6 h ASN 2068Cb 0.90 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 3hm6 h ASN 2068CO 0.08 0.60 -0.02 0.28 -1.65 0.00 0.00 177.43 176.72 3hm6 h SER 2069N 0.08 0.41 -0.16 5.81 0.02 -1.09 0.81 113.55 119.43 3hm6 h SER 2069Ca 0.00 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.63 3hm6 h SER 2069Cb 0.93 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 3hm6 h SER 2069CO 0.07 0.65 0.04 0.58 -1.14 0.00 0.00 176.83 177.02 3hm6 h VAL 2070N 0.16 0.94 -0.83 2.27 2.07 -1.14 -1.36 116.25 118.35 3hm6 h VAL 2070Ca 0.06 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3hm6 h VAL 2070Cb 0.45 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3hm6 h VAL 2070CO 0.02 0.02 0.48 -0.07 0.02 0.00 0.00 177.57 178.03 3hm6 h LEU 2071N 0.11 1.02 -0.48 2.57 3.38 -0.59 -1.77 115.31 119.55 3hm6 h LEU 2071Ca 0.07 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3hm6 h LEU 2071Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3hm6 h LEU 2071CO -0.09 0.81 0.11 0.00 0.09 0.00 0.00 178.44 179.37 3hm6 h ALA 2072N 1.26 0.63 -0.71 1.53 0.00 -0.63 -2.83 119.26 118.50 3hm6 h ALA 2072Ca 0.30 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hm6 h ALA 2072Cb -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3hm6 h ALA 2072CO -0.05 0.32 0.29 1.49 0.00 0.00 0.00 179.25 181.31 3hm6 h GLU 2073N 0.65 1.04 -0.53 0.00 4.81 -1.01 -2.48 114.58 117.06 3hm6 h GLU 2073Ca 0.15 -0.17 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3hm6 h GLU 2073Cb 0.33 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3hm6 h GLU 2073CO 0.00 0.84 0.36 -0.07 -0.73 0.00 0.00 179.01 179.41 3hm6 h LEU 2074N 1.03 0.43 -2.21 1.64 3.38 -1.11 -1.30 115.31 117.15 3hm6 h LEU 2074Ca 0.24 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.25 3hm6 h LEU 2074Cb 0.18 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hm6 h LEU 2074CO -0.02 0.28 0.11 0.28 0.09 0.00 0.00 178.44 179.18 3hm6 h SER 2075N 0.49 0.00 0.00 -0.43 0.02 -1.21 -3.32 113.55 109.10 3hm6 h SER 2075Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3hm6 h SER 2075Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3hm6 h SER 2075CO -0.06 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 172.96 3hm6 n TRP 2076N -4.07 0.00 -1.09 3.45 4.27 -0.90 -4.64 117.44 114.46 3hm6 n TRP 2076Ca 0.00 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.45 3hm6 n TRP 2076Cb 0.23 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.10 3hm6 n TRP 2076CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 3hm6 n ASN 2077N -0.07 5.86 -3.51 -0.67 5.15 -0.54 -4.79 115.26 116.68 3hm6 n ASN 2077Ca 0.00 -2.81 -0.10 0.00 -0.60 0.00 0.00 54.58 51.07 3hm6 n ASN 2077Cb 0.11 -1.27 -0.02 0.00 -0.53 0.00 0.00 39.78 38.07 3hm6 n ASN 2077CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 3hm6 s TYR 2078N -0.47 -0.44 0.24 1.20 -0.85 -1.26 -5.04 117.35 110.73 3hm6 s TYR 2078Ca 0.50 0.20 0.08 0.00 -0.52 0.00 0.00 57.07 57.33 3hm6 s TYR 2078Cb 0.29 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 43.17 3hm6 s TYR 2078CO -0.08 -0.86 0.12 -1.54 -1.52 0.00 0.00 175.55 171.67 3hm6 s SER 2079N -2.74 5.18 0.00 -0.18 1.04 -1.26 -5.06 113.70 110.68 3hm6 s SER 2079Ca 0.04 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3hm6 s SER 2079Cb -0.02 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.89 3hm6 s SER 2079CO -0.09 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.74 3hm6 n GLY 2080N -0.93 1.25 3.26 7.32 0.00 -1.26 -4.56 105.19 110.27 3hm6 n GLY 2080Ca -0.08 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 3hm6 n GLY 2080CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hm6 s ASP 2081N -0.37 4.10 0.09 1.61 2.15 -1.26 -4.99 116.67 117.99 3hm6 s ASP 2081Ca 0.00 -0.50 0.18 0.00 0.43 0.00 0.00 52.55 52.66 3hm6 s ASP 2081Cb 0.00 -1.68 0.75 0.00 -0.30 0.00 0.00 42.92 41.69 3hm6 s ASP 2081CO 0.00 -0.03 1.56 0.18 -0.17 0.00 0.00 175.17 176.71 3hm6 n LEU 2082N 4.75 0.24 -0.07 -1.34 4.77 -1.26 -4.89 117.00 119.20 3hm6 n LEU 2082Ca -0.18 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3hm6 n LEU 2082Cb 0.50 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3hm6 n LEU 2082CO 0.28 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 3hm6 n GLY 2083N 0.03 0.84 0.26 -0.72 0.00 -1.26 -4.93 105.19 99.41 3hm6 n GLY 2083Ca 0.03 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 3hm6 n GLY 2083CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hm6 h ALA 2084N 0.00 0.72 -0.17 4.61 0.00 -1.90 0.96 119.26 123.48 3hm6 h ALA 2084Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3hm6 h ALA 2084Cb 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3hm6 h ALA 2084CO 0.00 0.39 -0.05 -0.09 0.00 0.00 0.00 179.25 179.50 3hm6 h ARG 2085N 0.77 -0.02 -0.39 0.00 2.43 -1.96 0.14 114.38 115.35 3hm6 h ARG 2085Ca 0.18 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 3hm6 h ARG 2085Cb 0.30 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3hm6 h ARG 2085CO -0.00 -0.01 -0.31 0.28 -1.51 0.00 0.00 179.97 178.41 3hm6 h VAL 2086N -0.02 1.28 -0.96 0.20 2.07 -1.83 -2.68 116.25 114.31 3hm6 h VAL 2086Ca 0.09 -1.47 0.02 0.00 0.82 0.00 0.00 66.70 66.15 3hm6 h VAL 2086Cb 0.15 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3hm6 h VAL 2086CO -0.19 0.49 0.64 0.00 0.02 0.00 0.00 177.57 178.53 3hm6 h ALA 2087N 0.91 1.24 -0.41 1.67 0.00 -0.47 0.11 119.26 122.30 3hm6 h ALA 2087Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hm6 h ALA 2087Cb 0.87 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3hm6 h ALA 2087CO 0.08 0.58 0.19 -0.07 0.00 0.00 0.00 179.25 180.03 3hm6 h LEU 2088N 1.28 0.55 -0.78 0.00 3.38 -0.72 0.14 115.31 119.16 3hm6 h LEU 2088Ca 0.36 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3hm6 h LEU 2088Cb -0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3hm6 h LEU 2088CO -0.09 0.54 0.50 -0.74 0.09 0.00 0.00 178.44 178.74 3hm6 h HIS 2089N 0.53 1.00 -0.46 1.13 2.76 -1.07 -0.63 115.15 118.41 3hm6 h HIS 2089Ca 0.14 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3hm6 h HIS 2089Cb 0.14 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 3hm6 h HIS 2089CO -0.01 0.65 -0.02 0.93 -1.30 0.00 0.00 177.93 178.18 3hm6 h GLU 2090N 1.07 0.77 -0.33 5.26 4.39 -0.43 -2.27 114.58 123.03 3hm6 h GLU 2090Ca 0.28 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 3hm6 h GLU 2090Cb -0.09 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3hm6 h GLU 2090CO -0.06 0.79 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.22 3hm6 h LEU 2091N 0.71 0.70 -0.71 1.33 3.38 -0.39 -2.90 115.31 117.43 3hm6 h LEU 2091Ca 0.14 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3hm6 h LEU 2091Cb 0.47 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3hm6 h LEU 2091CO 0.02 0.95 0.42 0.22 0.09 0.00 0.00 178.44 180.15 3hm6 h TYR 2092N 0.58 0.78 -1.00 1.13 3.20 -0.67 -1.82 116.97 119.17 3hm6 h TYR 2092Ca 0.07 0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.19 3hm6 h TYR 2092Cb 0.79 -0.24 -0.11 0.00 1.54 0.00 0.00 36.73 38.71 3hm6 h TYR 2092CO 0.04 0.39 0.62 0.87 -1.64 0.00 0.00 178.16 178.44 3hm6 h LYS 2093N 0.78 0.61 -0.00 1.82 1.57 -1.21 0.32 116.57 120.46 3hm6 h LYS 2093Ca 0.31 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.90 3hm6 h LYS 2093Cb 0.15 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3hm6 h LYS 2093CO -0.16 0.40 -0.74 1.88 -0.57 0.00 0.00 179.45 180.26 3hm6 h TYR 2094N 0.63 0.03 -0.39 -1.35 -1.99 -1.42 -0.91 116.97 111.57 3hm6 h TYR 2094Ca 0.60 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 61.25 3hm6 h TYR 2094Cb 1.11 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.83 3hm6 h TYR 2094CO -0.00 0.75 -0.02 0.82 -0.00 0.00 0.00 178.16 179.71 3hm6 h ILE 2095N 0.01 1.26 0.18 -2.88 2.04 -0.03 -2.81 117.51 115.29 3hm6 h ILE 2095Ca -0.01 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 3hm6 h ILE 2095Cb 1.31 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3hm6 h ILE 2095CO 0.10 0.35 -0.12 -1.13 0.00 0.00 0.00 178.15 177.34 3hm6 h ASN 2096N 0.52 -0.31 -0.94 1.72 -1.24 -0.43 0.54 115.58 115.43 3hm6 h ASN 2096Ca 0.11 0.02 0.12 0.00 0.71 0.00 0.00 56.30 57.26 3hm6 h ASN 2096Cb 0.50 0.10 -0.08 0.00 0.73 0.00 0.00 38.32 39.57 3hm6 h ASN 2096CO 0.02 -0.20 0.57 0.50 -1.29 0.00 0.00 177.43 177.03 3hm6 h LYS 2097N -0.31 0.86 -0.42 6.67 3.64 -1.21 -2.70 116.57 123.12 3hm6 h LYS 2097Ca -0.01 -0.05 -0.29 0.00 -1.27 0.00 0.00 60.65 59.03 3hm6 h LYS 2097Cb 0.26 -0.20 -0.20 0.00 -0.41 0.00 0.00 32.23 31.69 3hm6 h LYS 2097CO 0.01 0.57 -0.43 0.66 -2.27 0.00 0.00 179.45 177.99 3hm6 n TYR 2098N -4.69 1.46 0.05 1.91 4.02 -1.06 -4.86 117.16 113.99 3hm6 n TYR 2098Ca 0.18 -1.89 -0.11 0.00 -0.01 0.00 0.00 57.90 56.07 3hm6 n TYR 2098Cb 0.35 -0.42 -0.04 0.00 -0.02 0.00 0.00 39.34 39.21 3hm6 n TYR 2098CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 3hm6 h TYR 2099N 1.49 -0.71 -0.74 -0.72 3.20 -0.53 -1.68 116.97 117.26 3hm6 h TYR 2099Ca 0.23 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3hm6 h TYR 2099Cb 1.34 0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.90 3hm6 h TYR 2099CO 0.91 -0.35 0.38 -0.44 -1.64 0.00 0.00 178.16 177.01 3hm6 h ASP 2100N -0.39 0.94 -0.44 -2.11 3.32 -1.86 -1.47 116.42 114.41 3hm6 h ASP 2100Ca 0.07 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 3hm6 h ASP 2100Cb 0.49 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3hm6 h ASP 2100CO -0.25 0.78 -0.07 1.56 -1.72 0.00 0.00 179.24 179.54 3hm6 h GLN 2101N 1.05 0.89 -0.06 3.56 7.50 -1.84 -0.13 115.11 126.07 3hm6 h GLN 2101Ca 0.26 -0.29 -0.25 0.00 0.50 0.00 0.00 58.65 58.88 3hm6 h GLN 2101Cb 0.07 -0.08 0.01 0.00 0.05 0.00 0.00 27.48 27.54 3hm6 h GLN 2101CO -0.04 0.93 -0.93 0.82 -1.50 0.00 0.00 178.83 178.11 3hm6 h ILE 2102N 0.81 1.29 0.52 2.54 2.04 -0.95 -2.09 117.51 121.66 3hm6 h ILE 2102Ca 0.14 -2.16 -0.03 0.00 1.00 0.00 0.00 64.86 63.81 3hm6 h ILE 2102Cb 0.58 2.23 0.01 0.00 -0.74 0.00 0.00 36.82 38.89 3hm6 h ILE 2102CO 0.04 0.67 -0.25 0.40 0.00 0.00 0.00 178.15 179.01 3hm6 h ILE 2103N 0.43 0.42 -0.92 -0.67 1.08 -1.19 -1.59 117.51 115.06 3hm6 h ILE 2103Ca -0.10 -0.30 0.24 0.00 -0.39 0.00 0.00 64.86 64.31 3hm6 h ILE 2103Cb 1.57 0.54 -0.16 0.00 -3.07 0.00 0.00 36.82 35.70 3hm6 h ILE 2103CO 0.18 0.05 0.06 0.74 -0.69 0.00 0.00 178.15 178.49 3hm6 h THR 2104N -0.90 0.14 -0.57 -0.27 2.02 -1.09 0.19 112.91 112.43 3hm6 h THR 2104Ca -0.07 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 3hm6 h THR 2104Cb 0.61 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3hm6 h THR 2104CO 0.12 0.01 -0.01 0.00 0.37 0.00 0.00 175.52 176.01 3hm6 h ALA 2105N 1.89 0.76 -0.05 6.16 0.00 -1.20 -1.40 119.26 125.42 3hm6 h ALA 2105Ca 0.55 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 3hm6 h ALA 2105Cb 1.10 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hm6 h ALA 2105CO -0.82 0.60 -0.78 -0.07 0.00 0.00 0.00 179.25 178.19 3hm6 h LEU 2106N 0.89 0.45 -0.66 0.00 3.38 -0.25 -3.30 115.31 115.83 3hm6 h LEU 2106Ca 0.16 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 3hm6 h LEU 2106Cb 0.56 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3hm6 h LEU 2106CO 0.03 1.07 -0.16 -0.33 0.09 0.00 0.00 178.44 179.14 3hm6 h GLU 2107N 0.24 0.88 -0.90 1.13 4.39 -0.56 -2.86 114.58 116.90 3hm6 h GLU 2107Ca -0.04 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.33 3hm6 h GLU 2107Cb 1.37 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3hm6 h GLU 2107CO 0.13 0.98 0.00 0.39 -1.16 0.00 0.00 179.01 179.35 3hm6 n GLU 2108N -4.13 0.90 -4.44 2.33 -0.58 -0.54 -4.78 120.64 109.40 3hm6 n GLU 2108Ca 0.01 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.54 3hm6 n GLU 2108Cb 0.41 -1.45 -0.15 0.00 -0.57 0.00 0.00 31.44 29.68 3hm6 n GLU 2108CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3hm6 s ASP 2109N -0.09 1.29 0.04 1.62 -1.08 -1.08 -5.06 116.67 112.30 3hm6 s ASP 2109Ca 0.00 -0.20 -0.30 0.00 -0.52 0.00 0.00 52.55 51.53 3hm6 s ASP 2109Cb 0.00 -0.29 -0.17 0.00 -1.46 0.00 0.00 42.92 40.99 3hm6 s ASP 2109CO 0.00 0.09 1.36 1.23 0.52 0.00 0.00 175.17 178.36 3hm6 h GLY 2110N 6.25 -0.94 2.00 2.66 0.00 -1.86 -2.21 103.07 108.96 3hm6 h GLY 2110Ca -0.33 0.35 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 3hm6 h GLY 2110CO 0.49 -0.34 -0.63 -0.84 0.00 0.00 0.00 176.54 175.21 3hm6 h THR 2111N -1.07 1.37 -0.05 4.70 2.02 -1.97 -0.28 112.91 117.63 3hm6 h THR 2111Ca -0.09 -2.22 0.02 0.00 0.77 0.00 0.00 66.41 64.89 3hm6 h THR 2111Cb 0.73 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 3hm6 h THR 2111CO 0.15 0.62 -0.08 0.00 0.37 0.00 0.00 175.52 176.58 3hm6 h ALA 2112N 1.37 -0.05 -0.07 6.16 0.00 -1.80 1.40 119.26 126.26 3hm6 h ALA 2112Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hm6 h ALA 2112Cb 1.18 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3hm6 h ALA 2112CO 0.08 -0.56 0.02 1.96 0.00 0.00 0.00 179.25 180.76 3hm6 h GLN 2113N -0.12 0.06 -1.00 0.00 4.20 -1.30 0.24 115.11 117.20 3hm6 h GLN 2113Ca 0.05 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.78 3hm6 h GLN 2113Cb 0.19 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 3hm6 h GLN 2113CO -0.12 0.04 0.66 0.87 -0.67 0.00 0.00 178.83 179.61 3hm6 h LYS 2114N 0.06 1.26 -0.66 1.46 1.57 -0.63 -1.55 116.57 118.07 3hm6 h LYS 2114Ca 0.03 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hm6 h LYS 2114Cb 0.01 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.04 3hm6 h LYS 2114CO -0.03 0.83 0.00 0.00 -0.57 0.00 0.00 179.45 179.68 3hm6 n MET 2115N -4.42 3.81 -2.55 3.15 0.00 0.48 -4.95 117.12 112.64 3hm6 n MET 2115Ca 0.13 -2.41 -0.17 0.00 0.00 0.00 0.00 57.70 55.25 3hm6 n MET 2115Cb 0.07 -2.01 -0.00 0.00 0.00 0.00 0.00 33.22 31.27 3hm6 n MET 2115CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3hm6 n GLN 2116N 0.59 -2.39 -0.13 3.17 6.02 -0.33 -4.86 117.38 119.46 3hm6 n GLN 2116Ca 0.21 0.76 -0.09 0.00 -0.01 0.00 0.00 57.00 57.87 3hm6 n GLN 2116Cb 0.92 -5.41 -0.01 0.00 1.02 0.00 0.00 30.24 26.76 3hm6 n GLN 2116CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3hm6 h LEU 2117N -0.21 0.55 -0.25 1.08 3.38 -0.84 -0.50 115.31 118.52 3hm6 h LEU 2117Ca -0.39 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.45 3hm6 h LEU 2117Cb 1.29 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 3hm6 h LEU 2117CO 0.46 0.58 -0.13 1.23 0.09 0.00 0.00 178.44 180.67 3hm6 h GLY 2118N 0.48 0.07 1.01 0.83 0.00 -1.87 -1.95 103.07 101.64 3hm6 h GLY 2118Ca 0.13 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 3hm6 h GLY 2118CO -0.01 -0.15 0.49 -1.82 0.00 0.00 0.00 176.54 175.05 3hm6 h TYR 2119N -0.10 1.11 -0.60 5.60 3.20 -1.81 -2.30 116.97 122.07 3hm6 h TYR 2119Ca 0.13 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 3hm6 h TYR 2119Cb 0.31 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3hm6 h TYR 2119CO -0.31 0.75 0.11 0.00 -1.64 0.00 0.00 178.16 177.07 3hm6 h ARG 2120N 1.15 0.96 -0.43 1.82 3.08 -0.66 -0.85 114.38 119.44 3hm6 h ARG 2120Ca 0.30 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 3hm6 h ARG 2120Cb -0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3hm6 h ARG 2120CO -0.05 0.88 -0.26 1.25 -1.07 0.00 0.00 179.97 180.71 3hm6 h LEU 2121N 0.91 0.94 -0.38 3.04 5.85 -1.17 -1.20 115.31 123.30 3hm6 h LEU 2121Ca 0.19 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.61 3hm6 h LEU 2121Cb 0.38 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 3hm6 h LEU 2121CO 0.01 1.14 -0.05 1.56 -0.34 0.00 0.00 178.44 180.75 3hm6 h GLN 2122N 0.78 0.04 -0.64 1.25 4.20 -1.08 0.39 115.11 120.05 3hm6 h GLN 2122Ca 0.09 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3hm6 h GLN 2122Cb 0.82 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 3hm6 h GLN 2122CO 0.07 0.03 0.31 1.96 -0.67 0.00 0.00 178.83 180.52 3hm6 h GLN 2123N 0.04 0.93 -0.01 1.46 7.50 -0.98 0.60 115.11 124.65 3hm6 h GLN 2123Ca 0.18 -0.14 -0.00 0.00 0.50 0.00 0.00 58.65 59.20 3hm6 h GLN 2123Cb 0.27 -0.17 -0.00 0.00 0.05 0.00 0.00 27.48 27.64 3hm6 h GLN 2123CO -0.36 0.75 0.01 0.82 -1.50 0.00 0.00 178.83 178.55 3hm6 h ILE 2124N 0.89 1.09 -0.90 2.54 2.04 -0.88 -1.69 117.51 120.60 3hm6 h ILE 2124Ca 0.22 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3hm6 h ILE 2124Cb 0.13 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 3hm6 h ILE 2124CO -0.03 0.07 0.57 0.00 0.00 0.00 0.00 178.15 178.76 3hm6 h ALA 2125N 0.90 1.21 -0.67 1.87 0.00 -0.83 -0.07 119.26 121.67 3hm6 h ALA 2125Ca 0.01 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hm6 h ALA 2125Cb 0.10 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 3hm6 h ALA 2125CO -0.00 0.38 0.35 0.00 0.00 0.00 0.00 179.25 179.98 3hm6 h ALA 2126N 1.39 0.90 -0.32 0.00 0.00 -0.61 -1.87 119.26 118.75 3hm6 h ALA 2126Ca 0.37 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.19 3hm6 h ALA 2126Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hm6 h ALA 2126CO -0.14 -0.01 -0.29 0.00 0.00 0.00 0.00 179.25 178.80 3hm6 h ALA 2127N 1.37 0.47 -0.02 0.00 0.00 -0.68 -3.16 119.26 117.24 3hm6 h ALA 2127Ca 0.31 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hm6 h ALA 2127Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hm6 h ALA 2127CO -0.22 0.49 0.00 0.28 0.00 0.00 0.00 179.25 179.80 3hm6 n VAL 2128N -4.22 0.02 -0.47 0.00 0.31 -0.10 -3.85 118.33 110.02 3hm6 n VAL 2128Ca -0.03 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3hm6 n VAL 2128Cb 0.48 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 3hm6 n VAL 2128CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67