#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdd h THR 1539N 0.00 0.00 -3.19 5.53 1.35 -1.94 -3.45 112.91 111.21 1sdd h THR 1539Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1sdd h THR 1539Cb 0.00 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1sdd h THR 1539CO 0.00 0.00 -0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1sdd n GLY 1540N -1.08 -0.27 3.71 5.82 0.00 -1.15 -4.81 105.19 107.40 1sdd n GLY 1540Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1sdd n GLY 1540CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sdd n ASN 1541N -0.82 3.56 -4.72 1.61 3.02 -1.26 -4.27 115.26 112.37 1sdd n ASN 1541Ca 0.00 1.10 -0.40 0.00 -0.03 0.00 0.00 54.58 55.24 1sdd n ASN 1541Cb 0.27 -1.52 -0.04 0.00 -0.61 0.00 0.00 39.78 37.88 1sdd n ASN 1541CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1sdd s ARG 1542N 0.48 4.50 -0.31 3.52 3.00 -1.26 -0.47 118.95 128.41 1sdd s ARG 1542Ca 0.72 1.10 -0.03 0.00 0.00 0.00 0.00 55.73 57.52 1sdd s ARG 1542Cb -0.57 -3.43 0.04 0.00 0.00 0.00 0.00 34.95 31.00 1sdd s ARG 1542CO 0.40 0.10 0.03 0.15 0.00 0.00 0.00 175.30 175.98 1sdd s LYS 1543N 0.60 2.55 0.04 3.54 -0.14 0.11 -4.94 119.74 121.50 1sdd s LYS 1543Ca 0.42 -1.20 -0.25 0.00 -1.36 0.00 0.00 55.97 53.59 1sdd s LYS 1543Cb -0.20 -3.26 -0.05 0.00 -1.68 0.00 0.00 37.83 32.64 1sdd s LYS 1543CO 0.23 -0.61 0.77 0.71 -0.76 0.00 0.00 175.35 175.68 1sdd s TYR 1544N 1.32 3.73 -0.03 3.18 2.02 -1.26 -1.80 117.35 124.50 1sdd s TYR 1544Ca -0.03 1.46 -0.02 0.00 -0.37 0.00 0.00 57.07 58.11 1sdd s TYR 1544Cb -0.19 -2.82 0.02 0.00 -0.40 0.00 0.00 41.96 38.56 1sdd s TYR 1544CO 0.00 0.26 0.07 0.71 -1.57 0.00 0.00 175.55 175.02 1sdd s TYR 1545N 0.01 -0.07 -0.34 2.71 2.02 -0.91 -5.01 117.35 115.77 1sdd s TYR 1545Ca 0.39 0.23 0.04 0.00 -0.37 0.00 0.00 57.07 57.36 1sdd s TYR 1545Cb -0.20 -0.06 0.10 0.00 -0.40 0.00 0.00 41.96 41.40 1sdd s TYR 1545CO 0.23 -0.08 0.05 0.71 -1.57 0.00 0.00 175.55 174.90 1sdd s TYR 1546N 0.52 3.75 -0.07 2.71 1.51 -1.26 0.04 117.35 124.55 1sdd s TYR 1546Ca -0.04 -3.01 0.04 0.00 -1.01 0.00 0.00 57.07 53.05 1sdd s TYR 1546Cb -0.06 -2.92 -0.02 0.00 -0.11 0.00 0.00 41.96 38.85 1sdd s TYR 1546CO -0.02 -0.95 -0.17 0.42 -1.11 0.00 0.00 175.55 173.72 1sdd s ILE 1547N 0.88 2.74 0.20 2.71 1.01 -0.97 -0.56 121.20 127.21 1sdd s ILE 1547Ca 0.11 -0.82 0.10 0.00 0.00 0.00 0.00 60.65 60.04 1sdd s ILE 1547Cb -0.19 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1sdd s ILE 1547CO -0.08 0.57 -0.19 0.00 0.00 0.00 0.00 174.94 175.24 1sdd s ALA 1548N -0.34 2.24 -0.23 9.38 0.00 0.19 -2.24 121.76 130.77 1sdd s ALA 1548Ca 0.03 -1.61 -0.11 0.00 0.00 0.00 0.00 51.96 50.26 1sdd s ALA 1548Cb -0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 1sdd s ALA 1548CO 0.02 0.26 0.19 0.00 0.00 0.00 0.00 175.76 176.23 1sdd s ALA 1549N -2.19 3.61 0.05 0.00 0.00 -1.26 0.26 121.76 122.22 1sdd s ALA 1549Ca 0.20 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1sdd s ALA 1549Cb -0.05 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1sdd s ALA 1549CO 0.09 -0.19 -0.09 -1.21 0.00 0.00 0.00 175.76 174.36 1sdd s GLU 1550N 1.06 0.58 -0.05 0.00 2.02 -0.38 0.72 118.70 122.65 1sdd s GLU 1550Ca 0.09 -0.79 -0.20 0.00 0.02 0.00 0.00 54.97 54.09 1sdd s GLU 1550Cb -0.14 -0.38 -0.05 0.00 0.10 0.00 0.00 34.13 33.67 1sdd s GLU 1550CO 0.05 0.07 0.57 -1.21 0.02 0.00 0.00 175.26 174.76 1sdd s GLU 1551N -1.61 4.33 0.26 1.61 2.02 -1.26 -0.64 118.70 123.41 1sdd s GLU 1551Ca -0.09 0.65 -0.05 0.00 0.02 0.00 0.00 54.97 55.51 1sdd s GLU 1551Cb -0.10 -3.39 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 1sdd s GLU 1551CO 0.01 0.26 0.34 0.96 0.02 0.00 0.00 175.26 176.85 1sdd s ILE 1552N 0.21 0.00 -0.13 -1.63 -4.36 -0.21 -4.98 121.20 110.09 1sdd s ILE 1552Ca 0.30 -1.70 -0.06 0.00 -0.26 0.00 0.00 60.65 58.93 1sdd s ILE 1552Cb -0.17 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 1sdd s ILE 1552CO 0.15 0.00 0.09 -0.44 0.24 0.00 0.00 174.94 174.98 1sdd s SER 1553N -3.15 5.91 -0.13 4.36 0.01 -1.26 -1.10 113.70 118.35 1sdd s SER 1553Ca 0.31 0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.88 1sdd s SER 1553Cb 0.02 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.37 1sdd s SER 1553CO 0.14 0.33 -0.21 0.86 0.41 0.00 0.00 173.24 174.78 1sdd s TRP 1554N -0.56 2.50 -0.45 2.43 -0.11 -0.39 -4.93 118.94 117.42 1sdd s TRP 1554Ca 0.11 -1.23 -0.08 0.00 1.22 0.00 0.00 56.10 56.13 1sdd s TRP 1554Cb -0.12 -1.72 0.11 0.00 -1.50 0.00 0.00 33.47 30.25 1sdd s TRP 1554CO 0.02 -0.57 0.31 0.34 -4.62 0.00 0.00 176.95 172.43 1sdd s ASP 1555N 0.81 5.62 1.12 5.86 2.15 -1.26 -1.58 116.67 129.38 1sdd s ASP 1555Ca -0.08 -1.85 -0.13 0.00 0.43 0.00 0.00 52.55 50.92 1sdd s ASP 1555Cb -0.16 -1.98 0.26 0.00 -0.30 0.00 0.00 42.92 40.75 1sdd s ASP 1555CO -0.01 -0.64 1.05 -0.31 -0.17 0.00 0.00 175.17 175.09 1sdd s TYR 1556N 1.34 1.59 0.00 -5.34 1.51 -0.87 -2.82 117.35 112.77 1sdd s TYR 1556Ca 0.05 1.09 0.00 0.00 -1.01 0.00 0.00 57.07 57.20 1sdd s TYR 1556Cb -0.25 -3.15 0.00 0.00 -0.11 0.00 0.00 41.96 38.45 1sdd s TYR 1556CO -0.01 -3.60 0.00 -1.13 -1.11 0.00 0.00 175.55 169.71 1sdd n SER 1557N -4.70 0.00 -0.05 2.29 3.41 -1.26 -4.71 113.62 108.60 1sdd n SER 1557Ca 0.03 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.66 1sdd n SER 1557Cb 0.55 -0.29 0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1sdd n SER 1557CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1sdd n LYS 1558N -0.70 -0.01 -0.93 4.33 4.81 -1.13 0.19 118.16 124.72 1sdd n LYS 1558Ca 0.00 0.22 -0.19 0.00 -0.87 0.00 0.00 58.31 57.48 1sdd n LYS 1558Cb 0.00 -0.35 0.12 0.00 0.02 0.00 0.00 35.03 34.82 1sdd n LYS 1558CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1sdd n PHE 1559N -4.00 2.25 0.00 5.64 3.01 -1.26 -5.18 117.46 117.92 1sdd n PHE 1559Ca 0.03 -1.66 0.00 0.00 1.01 0.00 0.00 57.45 56.84 1sdd n PHE 1559Cb 0.10 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 38.74 1sdd n PHE 1559CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1sdd n VAL 1560N -0.61 0.00 0.00 -4.37 3.14 0.49 -4.72 118.33 112.26 1sdd n VAL 1560Ca 0.44 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.82 1sdd n VAL 1560Cb 1.22 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 34.00 1sdd n VAL 1560CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1sdd n PRO 1569N 0.00 0.00 -2.03 1.45 -0.02 -1.26 -5.09 135.00 128.05 1sdd n PRO 1569Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1sdd n PRO 1569Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 1sdd n PRO 1569CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1sdd n GLU 1570N 0.00 -2.22 -2.81 -0.52 2.13 -1.26 -4.83 120.64 111.13 1sdd n GLU 1570Ca 0.00 1.93 -0.06 0.00 0.66 0.00 0.00 57.16 59.69 1sdd n GLU 1570Cb 0.00 -2.98 0.01 0.00 0.27 0.00 0.00 31.44 28.73 1sdd n GLU 1570CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1sdd n ASP 1571N 0.81 -7.94 -2.45 4.31 -0.08 -1.26 -4.98 116.55 104.96 1sdd n ASP 1571Ca -0.20 0.73 -0.27 0.00 -1.51 0.00 0.00 54.79 53.54 1sdd n ASP 1571Cb 0.31 -5.36 0.00 0.00 2.34 0.00 0.00 41.12 38.41 1sdd n ASP 1571CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1sdd n THR 1572N -0.08 2.38 -4.65 5.18 -2.24 -1.26 -5.02 114.28 108.58 1sdd n THR 1572Ca 0.09 -4.89 -0.33 0.00 -2.27 0.00 0.00 64.05 56.66 1sdd n THR 1572Cb 0.36 -1.26 -0.15 0.00 -2.10 0.00 0.00 70.33 67.18 1sdd n THR 1572CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1sdd s VAL 1573N -5.47 2.66 0.13 2.28 -7.23 -1.26 -2.04 120.40 109.47 1sdd s VAL 1573Ca 0.48 -0.78 0.08 0.00 -1.81 0.00 0.00 61.98 59.95 1sdd s VAL 1573Cb 0.40 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1sdd s VAL 1573CO -0.17 0.52 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.64 1sdd s TYR 1574N 0.68 1.71 0.36 2.82 2.02 -0.62 -4.89 117.35 119.43 1sdd s TYR 1574Ca -0.08 -0.46 -0.28 0.00 -0.37 0.00 0.00 57.07 55.88 1sdd s TYR 1574Cb -0.16 -0.89 -0.10 0.00 -0.40 0.00 0.00 41.96 40.41 1sdd s TYR 1574CO 0.02 0.24 1.30 0.21 -1.57 0.00 0.00 175.55 175.75 1sdd s LYS 1575N -2.38 4.20 0.23 -0.62 2.20 -1.26 -1.27 119.74 120.84 1sdd s LYS 1575Ca 0.10 2.18 -0.10 0.00 -0.36 0.00 0.00 55.97 57.79 1sdd s LYS 1575Cb -0.07 -2.93 -0.01 0.00 -1.51 0.00 0.00 37.83 33.30 1sdd s LYS 1575CO 0.05 -0.31 0.39 0.15 -0.36 0.00 0.00 175.35 175.27 1sdd s LYS 1576N -1.99 1.46 -0.10 4.03 -0.14 -0.26 -4.76 119.74 117.98 1sdd s LYS 1576Ca 0.52 -1.34 0.00 0.00 -1.36 0.00 0.00 55.97 53.80 1sdd s LYS 1576Cb -0.39 0.42 0.02 0.00 -1.68 0.00 0.00 37.83 36.21 1sdd s LYS 1576CO 0.51 -0.58 -0.08 0.54 -0.76 0.00 0.00 175.35 174.98 1sdd s VAL 1577N -4.05 1.01 0.25 3.17 0.11 -0.69 -1.05 120.40 119.16 1sdd s VAL 1577Ca 0.26 -0.31 0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1sdd s VAL 1577Cb 0.01 -1.01 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1sdd s VAL 1577CO 0.10 0.36 -0.10 0.68 -3.33 0.00 0.00 175.10 172.80 1sdd s VAL 1578N 1.45 1.75 -0.30 2.04 -7.23 0.19 -2.12 120.40 116.18 1sdd s VAL 1578Ca -0.00 -2.18 -0.25 0.00 -1.81 0.00 0.00 61.98 57.74 1sdd s VAL 1578Cb -0.13 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1sdd s VAL 1578CO -0.05 -0.43 0.86 -0.36 -0.31 0.00 0.00 175.10 174.81 1sdd s PHE 1579N -2.95 3.21 -0.05 2.82 0.08 -1.26 -1.25 117.98 118.58 1sdd s PHE 1579Ca 0.27 0.94 0.02 0.00 0.12 0.00 0.00 56.93 58.28 1sdd s PHE 1579Cb 0.01 -3.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.14 1sdd s PHE 1579CO 0.10 -0.58 -0.09 0.50 -0.10 0.00 0.00 175.22 175.04 1sdd s ARG 1580N 3.08 2.64 -0.22 0.44 6.06 0.14 -4.09 118.95 127.01 1sdd s ARG 1580Ca 0.35 -0.62 -0.17 0.00 -2.50 0.00 0.00 55.73 52.79 1sdd s ARG 1580Cb -0.14 -2.51 -0.03 0.00 0.06 0.00 0.00 34.95 32.33 1sdd s ARG 1580CO 0.12 0.64 0.48 0.21 -2.50 0.00 0.00 175.30 174.26 1sdd s LYS 1581N -0.85 4.14 0.27 5.12 2.20 -1.26 -0.63 119.74 128.72 1sdd s LYS 1581Ca 0.13 0.32 0.07 0.00 -0.36 0.00 0.00 55.97 56.12 1sdd s LYS 1581Cb -0.11 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 1sdd s LYS 1581CO 0.02 -0.19 0.24 0.71 -0.36 0.00 0.00 175.35 175.78 1sdd s TYR 1582N 1.77 3.11 0.04 4.03 1.51 0.28 -0.32 117.35 127.76 1sdd s TYR 1582Ca 0.22 -0.14 0.12 0.00 -1.01 0.00 0.00 57.07 56.26 1sdd s TYR 1582Cb -0.15 -1.52 0.10 0.00 -0.11 0.00 0.00 41.96 40.28 1sdd s TYR 1582CO 0.09 0.43 1.45 1.25 -1.11 0.00 0.00 175.55 177.66 1sdd h LEU 1583N 1.38 0.00 0.00 -1.29 5.85 -1.62 -3.40 115.31 116.23 1sdd h LEU 1583Ca -0.48 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.27 1sdd h LEU 1583Cb 1.24 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1sdd h LEU 1583CO 0.60 0.67 0.17 -0.90 -0.34 0.00 0.00 178.44 178.64 1sdd n ASP 1584N -3.38 -0.77 0.04 1.25 5.68 -1.26 -4.97 116.55 113.14 1sdd n ASP 1584Ca 0.01 -1.47 0.22 0.00 -0.50 0.00 0.00 54.79 53.05 1sdd n ASP 1584Cb 0.76 1.26 0.70 0.00 -1.14 0.00 0.00 41.12 42.70 1sdd n ASP 1584CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1sdd h SER 1585N 0.76 0.00 1.96 -1.12 0.02 -1.98 -1.27 113.55 111.91 1sdd h SER 1585Ca -0.12 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1sdd h SER 1585Cb 0.47 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1sdd h SER 1585CO 0.15 0.00 -0.04 0.71 -1.14 0.00 0.00 176.83 176.51 1sdd h THR 1586N 0.00 0.02 -6.15 -2.27 1.35 -1.97 -3.47 112.91 100.41 1sdd h THR 1586Ca 0.25 -1.02 -0.44 0.00 -0.55 0.00 0.00 66.41 64.64 1sdd h THR 1586Cb 1.40 1.99 0.02 0.00 -1.73 0.00 0.00 68.15 69.84 1sdd h THR 1586CO -0.00 0.01 -0.76 0.49 -0.25 0.00 0.00 175.52 175.00 1sdd n PHE 1587N -3.09 -2.31 -0.11 4.73 3.72 -0.48 -4.89 117.46 115.03 1sdd n PHE 1587Ca 0.04 0.91 -0.16 0.00 -0.05 0.00 0.00 57.45 58.19 1sdd n PHE 1587Cb 0.53 -4.30 -0.05 0.00 -0.94 0.00 0.00 39.48 34.73 1sdd n PHE 1587CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1sdd n THR 1588N -4.62 1.51 -4.08 4.37 -2.24 -1.26 -4.96 114.28 102.99 1sdd n THR 1588Ca -0.06 -0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.34 1sdd n THR 1588Cb 0.57 -2.20 -0.08 0.00 -2.10 0.00 0.00 70.33 66.53 1sdd n THR 1588CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sdd s LYS 1589N -2.78 3.37 0.16 -0.78 2.20 -1.26 -5.06 119.74 115.59 1sdd s LYS 1589Ca -0.32 -0.27 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 1sdd s LYS 1589Cb 0.07 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1sdd s LYS 1589CO 0.45 0.66 0.23 -0.48 -0.36 0.00 0.00 175.35 175.85 1sdd s LEU 1590N -0.73 4.14 -0.66 5.43 0.05 -1.26 -1.76 118.68 123.89 1sdd s LEU 1590Ca 0.12 0.06 -0.27 0.00 0.05 0.00 0.00 54.13 54.09 1sdd s LEU 1590Cb -0.12 -2.72 0.02 0.00 -2.05 0.00 0.00 46.19 41.32 1sdd s LEU 1590CO 0.03 0.06 1.34 -0.62 -0.55 0.00 0.00 176.35 176.61 1sdd s ASP 1591N -3.19 6.13 0.33 1.48 -1.08 0.56 -4.70 116.67 116.20 1sdd s ASP 1591Ca 0.33 -0.12 -0.26 0.00 -0.52 0.00 0.00 52.55 51.98 1sdd s ASP 1591Cb -0.11 -2.55 -0.13 0.00 -1.46 0.00 0.00 42.92 38.67 1sdd s ASP 1591CO 0.27 -1.79 0.84 -2.65 0.52 0.00 0.00 175.17 172.35 1sdd n PRO 1592N 9.03 1.00 -2.83 4.34 -0.02 -1.26 -4.79 135.00 140.47 1sdd n PRO 1592Ca 0.08 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 1sdd n PRO 1592Cb 0.49 -1.69 -0.04 0.00 -0.02 0.00 0.00 33.50 32.24 1sdd n PRO 1592CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1sdd s GLN 1593N -1.57 4.04 0.00 -0.52 0.74 -1.26 -5.04 119.66 116.05 1sdd s GLN 1593Ca 0.61 0.83 0.00 0.00 0.05 0.00 0.00 55.36 56.85 1sdd s GLN 1593Cb -0.68 -3.71 0.00 0.00 1.10 0.00 0.00 33.01 29.71 1sdd s GLN 1593CO 0.59 -0.72 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 1sdd n GLY 1594N 3.98 -2.28 0.10 2.59 0.00 -1.26 -4.89 105.19 103.43 1sdd n GLY 1594Ca 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1sdd n GLY 1594CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sdd h GLU 1595N 0.00 0.00 -0.06 1.61 3.07 -1.92 -3.28 114.58 114.00 1sdd h GLU 1595Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1sdd h GLU 1595Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1sdd h GLU 1595CO 0.00 0.33 -0.33 0.10 -1.40 0.00 0.00 179.01 177.71 1sdd h TYR 1596N 0.00 0.13 -0.22 4.33 -0.00 -1.91 -3.22 116.97 116.08 1sdd h TYR 1596Ca -0.13 -0.03 -0.16 0.00 -0.00 0.00 0.00 58.73 58.41 1sdd h TYR 1596Cb 1.55 -0.03 -0.12 0.00 -0.00 0.00 0.00 36.73 38.13 1sdd h TYR 1596CO 0.00 0.44 -0.55 -0.85 -0.00 0.00 0.00 178.16 177.20 1sdd n GLU 1597N -4.12 2.13 0.15 0.10 0.28 -1.25 -4.69 120.64 113.24 1sdd n GLU 1597Ca -0.02 -3.52 0.01 0.00 -0.16 0.00 0.00 57.16 53.47 1sdd n GLU 1597Cb 0.40 -1.81 0.22 0.00 1.43 0.00 0.00 31.44 31.68 1sdd n GLU 1597CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1sdd h GLU 1598N 1.31 0.00 0.00 3.44 4.81 -1.61 -2.87 114.58 119.66 1sdd h GLU 1598Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1sdd h GLU 1598Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1sdd h GLU 1598CO 0.23 0.54 0.00 1.12 -0.73 0.00 0.00 179.01 180.17 1sdd h HIS 1599N 0.00 0.00 -0.44 0.92 2.07 -1.77 -3.27 115.15 112.66 1sdd h HIS 1599Ca -0.01 0.00 0.13 0.00 -2.85 0.00 0.00 60.37 57.64 1sdd h HIS 1599Cb 1.02 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.98 1sdd h HIS 1599CO 0.00 0.00 0.34 -0.07 -3.07 0.00 0.00 177.93 175.13 1sdd h LEU 1600N 0.00 0.00 0.00 6.12 4.07 -1.81 -3.46 115.31 120.23 1sdd h LEU 1600Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1sdd h LEU 1600Cb 0.60 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.34 1sdd h LEU 1600CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 1sdd n GLY 1601N -1.59 2.55 0.15 0.83 0.00 -1.23 -1.75 105.19 104.14 1sdd n GLY 1601Ca 0.08 0.34 0.01 0.00 0.00 0.00 0.00 46.02 46.44 1sdd n GLY 1601CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sdd h ILE 1602N 0.00 1.25 -3.97 -0.61 6.09 -1.62 -3.46 117.51 115.20 1sdd h ILE 1602Ca 0.00 -2.07 -0.52 0.00 -1.37 0.00 0.00 64.86 60.90 1sdd h ILE 1602Cb 0.00 2.16 0.21 0.00 0.47 0.00 0.00 36.82 39.66 1sdd h ILE 1602CO 0.00 0.56 -0.06 0.18 -3.07 0.00 0.00 178.15 175.76 1sdd n LEU 1603N -3.63 2.09 0.00 2.19 4.32 -0.72 -4.71 117.00 116.54 1sdd n LEU 1603Ca -0.01 0.39 -0.17 0.00 -0.02 0.00 0.00 56.01 56.20 1sdd n LEU 1603Cb 0.62 -1.38 0.09 0.00 -1.62 0.00 0.00 43.42 41.13 1sdd n LEU 1603CO 0.41 -2.68 0.43 0.61 -1.22 0.00 0.00 177.39 174.94 1sdd n GLY 1604N 0.70 0.45 3.77 -0.72 0.00 -0.76 -4.85 105.19 103.78 1sdd n GLY 1604Ca 0.10 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 1sdd n GLY 1604CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sdd s PRO 1605N -4.45 3.73 -0.78 1.61 0.04 -1.26 -4.46 135.00 129.42 1sdd s PRO 1605Ca 0.49 2.35 -0.26 0.00 0.04 0.00 0.00 61.00 63.62 1sdd s PRO 1605Cb -0.03 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.86 1sdd s PRO 1605CO 0.33 -0.76 1.57 0.54 0.04 0.00 0.00 177.00 178.72 1sdd s VAL 1606N -1.22 3.62 0.36 -0.36 0.11 -1.26 -4.55 120.40 117.09 1sdd s VAL 1606Ca 0.60 0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 59.38 1sdd s VAL 1606Cb -0.42 -4.55 -0.11 0.00 -1.53 0.00 0.00 36.38 29.78 1sdd s VAL 1606CO 0.54 -1.48 1.39 -0.63 -3.33 0.00 0.00 175.10 171.59 1sdd s ILE 1607N 7.14 2.39 0.03 7.04 1.01 -0.93 -4.87 121.20 133.01 1sdd s ILE 1607Ca 0.51 0.39 -0.13 0.00 0.00 0.00 0.00 60.65 61.42 1sdd s ILE 1607Cb -0.07 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 39.16 1sdd s ILE 1607CO 0.09 0.09 0.29 -0.60 0.00 0.00 0.00 174.94 174.82 1sdd s ARG 1608N -1.95 0.75 -0.23 2.79 3.52 -1.26 -0.90 118.95 121.67 1sdd s ARG 1608Ca 0.51 -0.43 -0.31 0.00 -0.13 0.00 0.00 55.73 55.37 1sdd s ARG 1608Cb -0.43 0.33 0.16 0.00 -1.56 0.00 0.00 34.95 33.45 1sdd s ARG 1608CO 0.58 -0.23 1.23 0.00 -0.81 0.00 0.00 175.30 176.07 1sdd s ALA 1609N -2.18 -2.06 0.81 6.12 0.00 -0.36 -4.96 121.76 119.13 1sdd s ALA 1609Ca -0.08 1.74 -0.08 0.00 0.00 0.00 0.00 51.96 53.54 1sdd s ALA 1609Cb -0.02 -0.94 0.14 0.00 0.00 0.00 0.00 23.12 22.30 1sdd s ALA 1609CO -0.01 -0.35 1.13 -1.21 0.00 0.00 0.00 175.76 175.32 1sdd s GLU 1610N -1.42 1.37 0.48 0.00 2.02 -1.26 -0.45 118.70 119.45 1sdd s GLU 1610Ca 0.06 -0.64 -0.21 0.00 0.02 0.00 0.00 54.97 54.20 1sdd s GLU 1610Cb -0.01 -2.10 -0.08 0.00 0.10 0.00 0.00 34.13 32.04 1sdd s GLU 1610CO -0.05 -1.79 1.08 0.08 0.02 0.00 0.00 175.26 174.60 1sdd s VAL 1611N -3.47 3.51 0.00 2.63 1.01 -0.73 -2.89 120.40 120.46 1sdd s VAL 1611Ca 0.68 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1sdd s VAL 1611Cb -0.06 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1sdd s VAL 1611CO 0.48 -0.14 0.00 0.47 0.00 0.00 0.00 175.10 175.91 1sdd n ASP 1612N -0.82 0.00 -4.72 3.32 8.00 0.10 -4.77 116.55 117.66 1sdd n ASP 1612Ca 0.09 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.29 1sdd n ASP 1612Cb 0.51 -0.84 0.14 0.00 -0.02 0.00 0.00 41.12 40.91 1sdd n ASP 1612CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sdd s ASP 1613N -2.86 3.41 -0.14 -2.24 2.15 -1.14 -2.95 116.67 112.90 1sdd s ASP 1613Ca 0.00 1.39 0.00 0.00 0.43 0.00 0.00 52.55 54.37 1sdd s ASP 1613Cb 0.00 -2.07 0.02 0.00 -0.30 0.00 0.00 42.92 40.57 1sdd s ASP 1613CO 0.00 -2.66 -0.13 -0.69 -0.17 0.00 0.00 175.17 171.51 1sdd s VAL 1614N -2.98 1.51 -0.26 1.11 1.01 0.38 -1.98 120.40 119.20 1sdd s VAL 1614Ca 0.64 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1sdd s VAL 1614Cb -0.18 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1sdd s VAL 1614CO 0.57 0.45 0.23 -0.63 0.00 0.00 0.00 175.10 175.71 1sdd s ILE 1615N 1.50 5.30 -0.23 2.22 1.01 0.23 0.05 121.20 131.27 1sdd s ILE 1615Ca 0.05 0.28 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1sdd s ILE 1615Cb -0.13 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1sdd s ILE 1615CO -0.10 0.27 -0.09 -1.58 0.00 0.00 0.00 174.94 173.44 1sdd s GLN 1616N 1.50 2.03 -0.14 2.79 0.74 -0.75 0.10 119.66 125.93 1sdd s GLN 1616Ca 0.10 -1.08 -0.01 0.00 0.05 0.00 0.00 55.36 54.41 1sdd s GLN 1616Cb -0.15 -2.66 -0.01 0.00 1.10 0.00 0.00 33.01 31.28 1sdd s GLN 1616CO 0.08 -0.53 -0.12 0.14 -0.55 0.00 0.00 175.29 174.32 1sdd s VAL 1617N 1.28 3.14 -0.59 1.34 -7.23 -1.16 -2.13 120.40 115.04 1sdd s VAL 1617Ca -0.05 -0.62 -0.19 0.00 -1.81 0.00 0.00 61.98 59.31 1sdd s VAL 1617Cb -0.18 -2.33 0.11 0.00 0.56 0.00 0.00 36.38 34.53 1sdd s VAL 1617CO -0.07 0.51 0.69 -0.60 -0.31 0.00 0.00 175.10 175.33 1sdd s ARG 1618N 0.46 3.04 -0.19 4.82 6.06 0.11 -1.04 118.95 132.20 1sdd s ARG 1618Ca -0.09 -1.35 -0.24 0.00 -2.50 0.00 0.00 55.73 51.56 1sdd s ARG 1618Cb -0.16 -4.27 -0.02 0.00 0.06 0.00 0.00 34.95 30.57 1sdd s ARG 1618CO 0.04 -1.53 0.76 0.12 -2.50 0.00 0.00 175.30 172.20 1sdd s PHE 1619N 2.61 3.38 -0.19 5.12 5.36 -0.87 -2.28 117.98 131.10 1sdd s PHE 1619Ca 0.11 1.11 -0.15 0.00 -0.96 0.00 0.00 56.93 57.04 1sdd s PHE 1619Cb -0.25 -2.95 -0.10 0.00 -0.34 0.00 0.00 43.02 39.39 1sdd s PHE 1619CO 0.06 -0.25 -0.13 1.17 -1.46 0.00 0.00 175.22 174.61 1sdd n LYS 1620N 5.34 0.52 -1.95 10.12 3.00 -0.95 -1.29 118.16 132.95 1sdd n LYS 1620Ca 0.03 0.44 -0.00 0.00 -0.00 0.00 0.00 58.31 58.77 1sdd n LYS 1620Cb 0.49 -1.63 -0.00 0.00 0.00 0.00 0.00 35.03 33.89 1sdd n LYS 1620CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1sdd n ASN 1621N -4.48 -3.82 -1.42 3.14 5.15 -1.26 -3.77 115.26 108.80 1sdd n ASN 1621Ca -0.23 0.54 0.08 0.00 -0.60 0.00 0.00 54.58 54.37 1sdd n ASN 1621Cb 0.53 -2.64 0.33 0.00 -0.53 0.00 0.00 39.78 37.47 1sdd n ASN 1621CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1sdd n LEU 1622N 0.33 4.60 0.00 1.20 4.77 0.22 -2.04 117.00 126.08 1sdd n LEU 1622Ca -0.03 -2.58 -0.23 0.00 -0.03 0.00 0.00 56.01 53.15 1sdd n LEU 1622Cb 0.04 -0.56 0.14 0.00 -2.33 0.00 0.00 43.42 40.71 1sdd n LEU 1622CO 0.17 0.75 0.61 0.00 -1.33 0.00 0.00 177.39 177.59 1sdd n ALA 1623N 0.70 -0.46 0.17 -1.18 0.00 -1.09 -4.69 120.51 113.95 1sdd n ALA 1623Ca 0.24 -1.64 0.10 0.00 0.00 0.00 0.00 53.44 52.14 1sdd n ALA 1623Cb 0.90 0.13 0.10 0.00 0.00 0.00 0.00 19.45 20.58 1sdd n ALA 1623CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sdd h SER 1624N -0.95 0.00 -2.04 0.00 4.64 -1.94 -3.38 113.55 109.88 1sdd h SER 1624Ca -0.33 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.39 1sdd h SER 1624Cb 1.06 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.02 1sdd h SER 1624CO 0.29 0.07 -0.53 0.00 -0.87 0.00 0.00 176.83 175.80 1sdd s ARG 1625N -3.22 2.00 0.46 4.77 1.70 -1.26 -4.81 118.95 118.60 1sdd s ARG 1625Ca 0.04 -2.23 -0.23 0.00 -0.47 0.00 0.00 55.73 52.85 1sdd s ARG 1625Cb 0.07 -1.04 -0.07 0.00 -0.57 0.00 0.00 34.95 33.33 1sdd s ARG 1625CO 0.72 -0.38 1.15 -2.14 -1.08 0.00 0.00 175.30 173.56 1sdd s PRO 1626N -3.79 3.75 0.26 3.89 0.02 -1.26 -4.13 135.00 133.74 1sdd s PRO 1626Ca 0.19 1.72 -0.12 0.00 0.02 0.00 0.00 61.00 62.81 1sdd s PRO 1626Cb 0.03 -2.36 -0.00 0.00 0.02 0.00 0.00 34.50 32.19 1sdd s PRO 1626CO 0.11 -0.54 0.49 0.71 -0.33 0.00 0.00 177.00 177.43 1sdd s TYR 1627N -1.60 0.44 0.22 6.54 2.02 -0.72 -4.94 117.35 119.31 1sdd s TYR 1627Ca 0.64 -0.80 -0.10 0.00 -0.37 0.00 0.00 57.07 56.44 1sdd s TYR 1627Cb -0.27 0.18 -0.01 0.00 -0.40 0.00 0.00 41.96 41.46 1sdd s TYR 1627CO 0.33 -1.03 0.38 -1.54 -1.57 0.00 0.00 175.55 172.11 1sdd s SER 1628N -3.05 -0.03 -0.41 2.29 1.04 -1.26 -1.48 113.70 110.80 1sdd s SER 1628Ca 0.23 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.74 1sdd s SER 1628Cb -0.01 0.52 0.12 0.00 0.10 0.00 0.00 66.02 66.75 1sdd s SER 1628CO 0.10 -1.03 0.16 -0.22 0.98 0.00 0.00 173.24 173.24 1sdd s LEU 1629N -3.02 3.69 -0.12 2.42 0.20 -1.26 -3.00 118.68 117.59 1sdd s LEU 1629Ca 0.23 -2.41 -0.11 0.00 0.69 0.00 0.00 54.13 52.52 1sdd s LEU 1629Cb 0.01 -1.35 -0.05 0.00 -0.43 0.00 0.00 46.19 44.38 1sdd s LEU 1629CO 0.06 -0.32 0.24 -2.28 -0.29 0.00 0.00 176.35 173.77 1sdd s HIS 1630N 0.57 3.56 -0.64 5.38 5.65 0.13 -4.91 115.29 125.02 1sdd s HIS 1630Ca 0.14 0.62 -0.11 0.00 0.25 0.00 0.00 55.06 55.96 1sdd s HIS 1630Cb -0.22 -2.17 0.16 0.00 -1.18 0.00 0.00 32.58 29.17 1sdd s HIS 1630CO -0.07 0.50 0.54 0.00 -0.65 0.00 0.00 174.74 175.06 1sdd s ALA 1631N -0.37 3.72 -0.36 1.58 0.00 -1.26 -0.91 121.76 124.16 1sdd s ALA 1631Ca 0.16 -2.96 -0.27 0.00 0.00 0.00 0.00 51.96 48.89 1sdd s ALA 1631Cb -0.13 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 1sdd s ALA 1631CO 0.05 -2.10 2.32 1.58 0.00 0.00 0.00 175.76 177.62 1sdd n HIS 1632N 4.35 1.69 0.00 0.00 -0.00 -0.62 -2.65 115.22 118.00 1sdd n HIS 1632Ca 0.02 -0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.20 1sdd n HIS 1632Cb 0.42 -2.68 0.00 0.00 -0.12 0.00 0.00 29.99 27.61 1sdd n HIS 1632CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sdd n GLY 1633N 5.90 0.51 0.00 1.57 0.00 -1.26 -3.92 105.19 107.99 1sdd n GLY 1633Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1sdd n GLY 1633CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sdd n LEU 1634N 0.00 0.00 -2.37 0.99 0.00 -1.08 -4.76 117.00 109.77 1sdd n LEU 1634Ca 0.00 0.59 -0.12 0.00 0.00 0.00 0.00 56.01 56.49 1sdd n LEU 1634Cb 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 43.42 43.38 1sdd n LEU 1634CO 0.00 -0.09 0.10 -1.20 0.00 0.00 0.00 177.39 176.19 1sdd n SER 1635N -1.07 -3.11 0.00 1.96 7.64 -1.26 -4.62 113.62 113.15 1sdd n SER 1635Ca 0.00 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1sdd n SER 1635Cb 0.00 -3.18 0.00 0.00 -1.01 0.00 0.00 64.21 60.02 1sdd n SER 1635CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1sdd n ASN 1657N -1.77 0.00 -4.64 6.43 2.04 -1.26 -5.08 115.26 110.98 1sdd n ASN 1657Ca -0.09 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.62 1sdd n ASN 1657Cb 0.57 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.79 1sdd n ASN 1657CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1sdd s ALA 1658N -1.04 3.41 0.10 -2.53 0.00 -1.26 -4.91 121.76 115.54 1sdd s ALA 1658Ca 0.00 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1sdd s ALA 1658Cb 0.00 -3.84 -0.06 0.00 0.00 0.00 0.00 23.12 19.22 1sdd s ALA 1658CO 0.00 -1.76 1.14 0.42 0.00 0.00 0.00 175.76 175.56 1sdd s ILE 1659N 4.97 4.06 0.39 0.00 -1.09 -0.55 -4.85 121.20 124.12 1sdd s ILE 1659Ca 0.80 1.58 -0.16 0.00 -2.23 0.00 0.00 60.65 60.64 1sdd s ILE 1659Cb -0.33 -4.01 -0.09 0.00 -1.58 0.00 0.00 42.46 36.45 1sdd s ILE 1659CO 0.33 0.18 0.82 -1.10 -1.23 0.00 0.00 174.94 173.95 1sdd s GLN 1660N 0.50 4.00 0.99 2.79 1.11 -1.26 -1.75 119.66 126.04 1sdd s GLN 1660Ca 0.54 0.77 -0.16 0.00 0.01 0.00 0.00 55.36 56.52 1sdd s GLN 1660Cb -0.29 -2.33 -0.09 0.00 -1.01 0.00 0.00 33.01 29.30 1sdd s GLN 1660CO 0.31 0.02 -0.47 -2.30 0.01 0.00 0.00 175.29 172.87 1sdd n PRO 1661N -0.77 -0.12 -0.38 2.91 -0.02 -1.26 -1.80 135.00 133.56 1sdd n PRO 1661Ca 0.04 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1sdd n PRO 1661Cb 0.54 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 1sdd n PRO 1661CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1sdd n ASN 1662N 1.96 -2.03 -4.39 2.55 2.85 -0.86 -4.89 115.26 110.43 1sdd n ASN 1662Ca 0.01 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.16 1sdd n ASN 1662Cb 0.56 -1.62 -0.14 0.00 1.24 0.00 0.00 39.78 39.82 1sdd n ASN 1662CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1sdd s LYS 1663N -0.76 2.15 0.68 1.20 1.02 -0.74 -5.05 119.74 118.24 1sdd s LYS 1663Ca 0.00 -0.92 -0.01 0.00 0.02 0.00 0.00 55.97 55.06 1sdd s LYS 1663Cb 0.00 -2.15 0.10 0.00 -0.52 0.00 0.00 37.83 35.25 1sdd s LYS 1663CO 0.00 0.56 0.95 0.99 -0.92 0.00 0.00 175.35 176.93 1sdd s THR 1664N -0.75 2.30 0.00 2.17 2.01 -1.25 -4.39 115.64 115.73 1sdd s THR 1664Ca 0.12 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1sdd s THR 1664Cb -0.10 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.67 1sdd s THR 1664CO 0.01 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.94 1sdd n TYR 1665N -2.74 0.00 -3.19 4.92 4.19 -0.41 -4.98 117.16 114.96 1sdd n TYR 1665Ca 0.12 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.94 1sdd n TYR 1665Cb 0.60 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.38 1sdd n TYR 1665CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 1sdd s THR 1666N 0.00 5.11 0.40 2.97 2.01 -1.26 -2.05 115.64 122.81 1sdd s THR 1666Ca 0.00 1.16 0.06 0.00 0.31 0.00 0.00 61.69 63.22 1sdd s THR 1666Cb 0.00 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1sdd s THR 1666CO 0.00 0.26 0.56 -0.31 -0.69 0.00 0.00 174.62 174.44 1sdd s TYR 1667N 0.96 3.01 -0.25 4.92 2.02 -0.21 -4.97 117.35 122.83 1sdd s TYR 1667Ca 0.30 -0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 56.79 1sdd s TYR 1667Cb -0.16 -2.25 0.13 0.00 -0.40 0.00 0.00 41.96 39.29 1sdd s TYR 1667CO 0.13 -0.29 0.35 0.08 -1.57 0.00 0.00 175.55 174.26 1sdd s VAL 1668N -2.35 -0.55 -0.06 0.71 1.01 -1.26 -3.00 120.40 114.90 1sdd s VAL 1668Ca 0.50 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1sdd s VAL 1668Cb -0.10 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1sdd s VAL 1668CO 0.33 -0.19 -0.12 0.26 0.00 0.00 0.00 175.10 175.38 1sdd s TRP 1669N 2.50 2.77 -0.47 5.22 0.51 0.11 -4.97 118.94 124.62 1sdd s TRP 1669Ca 0.11 -0.14 -0.07 0.00 -2.12 0.00 0.00 56.10 53.88 1sdd s TRP 1669Cb -0.15 -1.67 0.12 0.00 -0.81 0.00 0.00 33.47 30.97 1sdd s TRP 1669CO -0.19 0.20 0.32 -1.58 -0.51 0.00 0.00 176.95 175.19 1sdd s HIS 1670N -0.68 3.47 -0.90 -1.98 2.46 -1.26 0.77 115.29 117.17 1sdd s HIS 1670Ca 0.10 -2.05 -0.26 0.00 0.47 0.00 0.00 55.06 53.32 1sdd s HIS 1670Cb -0.11 -3.43 -0.18 0.00 -0.13 0.00 0.00 32.58 28.73 1sdd s HIS 1670CO 0.01 -0.98 2.29 0.00 -2.47 0.00 0.00 174.74 173.59 1sdd n ALA 1671N 4.76 0.28 -1.21 1.58 0.00 -0.84 -4.93 120.51 120.15 1sdd n ALA 1671Ca -0.05 -1.71 -0.29 0.00 0.00 0.00 0.00 53.44 51.38 1sdd n ALA 1671Cb 0.41 -3.29 0.17 0.00 0.00 0.00 0.00 19.45 16.74 1sdd n ALA 1671CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sdd s THR 1672N 15.74 2.12 0.43 0.00 -4.23 -1.26 0.01 115.64 128.45 1sdd s THR 1672Ca 0.89 0.04 0.11 0.00 -1.18 0.00 0.00 61.69 61.55 1sdd s THR 1672Cb -0.10 -2.56 0.22 0.00 1.34 0.00 0.00 72.50 71.39 1sdd s THR 1672CO 0.13 -0.05 2.02 0.74 -0.54 0.00 0.00 174.62 176.91 1sdd h THR 1673N -1.83 1.11 0.00 3.99 2.02 -1.97 -1.58 112.91 114.65 1sdd h THR 1673Ca -0.54 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1sdd h THR 1673Cb 1.33 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1sdd h THR 1673CO 0.58 0.14 0.00 0.03 0.37 0.00 0.00 175.52 176.64 1sdd h ARG 1674N 0.22 0.00 0.02 6.66 3.08 -1.95 -2.05 114.38 120.36 1sdd h ARG 1674Ca 0.05 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.77 1sdd h ARG 1674Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1sdd h ARG 1674CO 0.00 0.00 -1.98 0.43 -1.07 0.00 0.00 179.97 177.36 1sdd n SER 1675N -2.88 0.87 -3.26 7.04 7.64 -0.60 -4.98 113.62 117.45 1sdd n SER 1675Ca -0.03 0.24 -0.27 0.00 1.01 0.00 0.00 58.87 59.83 1sdd n SER 1675Cb 0.06 0.09 0.26 0.00 -1.01 0.00 0.00 64.21 63.62 1sdd n SER 1675CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sdd n GLY 1676N 1.71 -3.57 0.00 0.23 0.00 -0.77 -4.84 105.19 97.94 1sdd n GLY 1676Ca -0.25 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1sdd n GLY 1676CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sdd n PRO 1677N -4.86 0.83 -3.96 1.61 -0.02 -1.26 -4.88 135.00 122.46 1sdd n PRO 1677Ca 0.12 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.31 1sdd n PRO 1677Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.96 1sdd n PRO 1677CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1sdd s GLU 1678N -0.55 3.31 0.40 -0.52 0.41 -1.26 -5.01 118.70 115.48 1sdd s GLU 1678Ca 0.00 -0.55 0.21 0.00 -0.41 0.00 0.00 54.97 54.23 1sdd s GLU 1678Cb 0.00 -2.94 1.19 0.00 -1.78 0.00 0.00 34.13 30.59 1sdd s GLU 1678CO 0.00 0.58 1.72 -0.91 -0.49 0.00 0.00 175.26 176.16 1sdd h ASN 1679N 2.87 0.40 0.00 -0.19 4.21 -1.98 -3.33 115.58 117.57 1sdd h ASN 1679Ca -0.46 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.16 1sdd h ASN 1679Cb 1.17 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 1sdd h ASN 1679CO 0.72 -0.01 0.00 -2.65 -1.29 0.00 0.00 177.43 174.20 1sdd n PRO 1680N -4.69 0.00 -3.77 0.81 -0.02 -1.26 -5.06 135.00 121.01 1sdd n PRO 1680Ca 0.29 0.05 -0.25 0.00 -2.02 0.00 0.00 63.50 61.57 1sdd n PRO 1680Cb 1.04 -0.55 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 1sdd n PRO 1680CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1sdd s GLY 1681N -1.10 2.29 -0.02 -1.23 0.00 -1.25 -4.92 107.32 101.09 1sdd s GLY 1681Ca 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 44.72 43.32 1sdd s GLY 1681CO 0.00 -1.90 0.03 -1.14 0.00 0.00 0.00 173.10 170.09 1sdd n SER 1682N -1.82 -4.94 0.26 1.64 3.41 -1.26 -4.30 113.62 106.60 1sdd n SER 1682Ca 0.01 1.42 0.18 0.00 -0.26 0.00 0.00 58.87 60.22 1sdd n SER 1682Cb 0.64 -3.60 0.86 0.00 -0.26 0.00 0.00 64.21 61.85 1sdd n SER 1682CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sdd h ALA 1683N 4.27 1.00 -3.50 7.33 0.00 -1.93 -3.42 119.26 123.01 1sdd h ALA 1683Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 1sdd h ALA 1683Cb 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.71 1sdd h ALA 1683CO 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 179.25 178.52 1sdd s ARG 1685N -0.69 2.24 -0.08 0.00 6.06 -0.06 -4.93 118.95 121.48 1sdd s ARG 1685Ca -0.05 -0.90 -0.07 0.00 -2.50 0.00 0.00 55.73 52.20 1sdd s ARG 1685Cb -0.05 -2.31 -0.04 0.00 0.06 0.00 0.00 34.95 32.61 1sdd s ARG 1685CO -0.00 0.55 0.19 0.00 -2.50 0.00 0.00 175.30 173.54 1sdd s ALA 1686N -1.00 3.87 0.01 6.12 0.00 -1.26 -1.54 121.76 127.96 1sdd s ALA 1686Ca 0.17 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1sdd s ALA 1686Cb -0.11 -2.01 -0.00 0.00 0.00 0.00 0.00 23.12 21.00 1sdd s ALA 1686CO 0.08 0.63 0.02 0.91 0.00 0.00 0.00 175.76 177.39 1sdd n TRP 1687N 1.73 -0.20 -3.69 0.00 7.02 0.20 -4.76 117.44 117.74 1sdd n TRP 1687Ca -0.17 -0.11 -0.14 0.00 -1.02 0.00 0.00 57.50 56.05 1sdd n TRP 1687Cb 0.54 0.02 -0.08 0.00 -2.42 0.00 0.00 31.31 29.37 1sdd n TRP 1687CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sdd s ALA 1688N -1.89 -1.05 0.20 6.99 0.00 -1.25 -1.82 121.76 122.93 1sdd s ALA 1688Ca 0.02 0.58 0.11 0.00 0.00 0.00 0.00 51.96 52.66 1sdd s ALA 1688Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1sdd s ALA 1688CO 0.01 -0.30 -0.23 1.52 0.00 0.00 0.00 175.76 176.76 1sdd s TYR 1689N -1.39 2.32 0.06 0.00 -0.85 -0.64 -1.58 117.35 115.28 1sdd s TYR 1689Ca -0.12 -0.35 -0.28 0.00 -0.52 0.00 0.00 57.07 55.80 1sdd s TYR 1689Cb -0.04 -1.14 0.09 0.00 0.38 0.00 0.00 41.96 41.25 1sdd s TYR 1689CO 0.05 0.51 1.08 1.52 -1.52 0.00 0.00 175.55 177.19 1sdd s TYR 1690N -1.71 -0.12 0.52 -3.49 1.13 -0.09 -0.90 117.35 112.70 1sdd s TYR 1690Ca 0.21 -0.09 -0.20 0.00 -1.41 0.00 0.00 57.07 55.59 1sdd s TYR 1690Cb -0.08 0.59 -0.07 0.00 -1.10 0.00 0.00 41.96 41.31 1sdd s TYR 1690CO 0.10 -0.58 1.09 0.45 -2.51 0.00 0.00 175.55 174.10 1sdd s SER 1691N -2.87 5.96 0.00 -0.18 0.15 -1.16 0.19 113.70 115.79 1sdd s SER 1691Ca 0.12 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.83 1sdd s SER 1691Cb 0.01 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1sdd s SER 1691CO -0.01 -1.05 0.10 0.00 1.20 0.00 0.00 173.24 173.48 1sdd n ALA 1692N -1.22 1.73 -0.31 5.45 0.00 -1.25 -4.29 120.51 120.62 1sdd n ALA 1692Ca 0.11 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1sdd n ALA 1692Cb 0.52 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.21 1sdd n ALA 1692CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sdd h VAL 1693N 0.05 0.17 -1.45 0.00 2.07 -1.91 -3.15 116.25 112.02 1sdd h VAL 1693Ca 0.00 -0.03 -0.41 0.00 0.82 0.00 0.00 66.70 67.08 1sdd h VAL 1693Cb 0.02 0.09 -0.29 0.00 -1.52 0.00 0.00 31.29 29.60 1sdd h VAL 1693CO 0.00 0.01 -0.82 -3.20 0.02 0.00 0.00 177.57 173.59 1sdd n ASN 1694N -5.40 -1.40 0.00 0.57 4.05 -1.26 -5.08 115.26 106.75 1sdd n ASN 1694Ca 0.20 -2.79 0.00 0.00 0.45 0.00 0.00 54.58 52.44 1sdd n ASN 1694Cb 0.65 0.40 0.00 0.00 1.23 0.00 0.00 39.78 42.06 1sdd n ASN 1694CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1sdd n PRO 1695N 2.13 0.00 -0.10 1.20 -0.02 -1.19 -0.69 135.00 136.33 1sdd n PRO 1695Ca 0.20 0.11 -0.14 0.00 -2.02 0.00 0.00 63.50 61.65 1sdd n PRO 1695Cb 0.55 -0.20 -0.09 0.00 -0.02 0.00 0.00 33.50 33.74 1sdd n PRO 1695CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1sdd h GLU 1696N 0.00 -0.42 0.00 -0.52 4.81 -1.94 0.47 114.58 116.98 1sdd h GLU 1696Ca 0.00 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1sdd h GLU 1696Cb 0.00 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1sdd h GLU 1696CO 0.00 -0.28 -0.01 0.87 -0.73 0.00 0.00 179.01 178.86 1sdd h LYS 1697N -0.44 0.00 0.06 1.92 1.57 -1.59 -1.93 116.57 116.16 1sdd h LYS 1697Ca 0.07 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.62 1sdd h LYS 1697Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1sdd h LYS 1697CO -0.55 0.01 -1.23 -0.44 -0.57 0.00 0.00 179.45 176.67 1sdd h ASP 1698N 0.00 0.20 -0.38 0.86 5.19 0.14 -3.10 116.42 119.33 1sdd h ASP 1698Ca -0.00 -0.76 0.01 0.00 -0.62 0.00 0.00 57.03 55.66 1sdd h ASP 1698Cb 0.06 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1sdd h ASP 1698CO 0.00 1.52 0.24 0.40 -3.12 0.00 0.00 179.24 178.28 1sdd h ILE 1699N -0.61 1.08 0.00 0.35 2.04 -0.02 0.38 117.51 120.73 1sdd h ILE 1699Ca -0.29 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1sdd h ILE 1699Cb 1.53 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1sdd h ILE 1699CO -0.04 0.09 0.00 1.41 0.00 0.00 0.00 178.15 179.61 1sdd n HIS 1700N -4.84 0.69 0.11 1.37 8.25 -0.74 -0.67 115.22 119.39 1sdd n HIS 1700Ca 0.00 0.35 0.11 0.00 -0.26 0.00 0.00 57.72 57.92 1sdd n HIS 1700Cb 0.04 -1.06 0.01 0.00 1.12 0.00 0.00 29.99 30.10 1sdd n HIS 1700CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1sdd h SER 1701N 0.00 0.00 0.00 0.41 0.02 -0.85 -3.44 113.55 109.69 1sdd h SER 1701Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sdd h SER 1701Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1sdd h SER 1701CO 0.00 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1sdd n GLY 1702N 1.19 0.69 3.45 -3.77 0.00 0.16 -1.70 105.19 105.20 1sdd n GLY 1702Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1sdd n GLY 1702CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sdd s LEU 1703N 0.00 5.16 -0.14 0.99 1.43 -0.90 -4.30 118.68 120.92 1sdd s LEU 1703Ca 0.00 -2.48 -0.21 0.00 -1.03 0.00 0.00 54.13 50.41 1sdd s LEU 1703Cb 0.00 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 43.89 1sdd s LEU 1703CO 0.00 -0.90 0.55 -0.51 0.23 0.00 0.00 176.35 175.72 1sdd s ILE 1704N 2.05 0.01 0.16 -0.59 2.07 -1.26 -3.01 121.20 120.63 1sdd s ILE 1704Ca 0.36 -0.07 -0.14 0.00 -1.41 0.00 0.00 60.65 59.39 1sdd s ILE 1704Cb -0.04 -0.80 0.01 0.00 0.13 0.00 0.00 42.46 41.76 1sdd s ILE 1704CO -0.06 -0.04 0.39 -0.83 -1.91 0.00 0.00 174.94 172.49 1sdd s GLY 1705N -0.28 0.07 0.17 1.50 0.00 -0.08 -1.82 107.32 106.87 1sdd s GLY 1705Ca -0.05 -0.43 -0.23 0.00 0.00 0.00 0.00 44.72 44.01 1sdd s GLY 1705CO 0.03 -0.51 0.74 2.56 0.00 0.00 0.00 173.10 175.92 1sdd s PRO 1706N -3.89 4.46 -0.18 2.90 0.04 -1.26 -1.62 135.00 135.46 1sdd s PRO 1706Ca 0.10 1.05 -0.00 0.00 0.04 0.00 0.00 61.00 62.19 1sdd s PRO 1706Cb 0.02 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 31.42 1sdd s PRO 1706CO -0.05 0.55 -0.07 -1.17 0.04 0.00 0.00 177.00 176.30 1sdd s LEU 1707N -1.30 1.85 -0.07 -3.56 0.20 -0.75 -2.18 118.68 112.87 1sdd s LEU 1707Ca 0.36 -0.76 0.00 0.00 0.69 0.00 0.00 54.13 54.42 1sdd s LEU 1707Cb -0.21 -1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 44.50 1sdd s LEU 1707CO 0.24 -0.18 -0.05 -0.76 -0.29 0.00 0.00 176.35 175.32 1sdd s LEU 1708N 1.55 3.29 -0.19 -0.68 1.02 -0.08 -0.63 118.68 122.97 1sdd s LEU 1708Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.17 1sdd s LEU 1708Cb -0.16 -1.74 0.04 0.00 0.02 0.00 0.00 46.19 44.36 1sdd s LEU 1708CO -0.08 0.36 -0.07 -0.63 0.02 0.00 0.00 176.35 175.95 1sdd s ILE 1709N -0.84 1.35 0.33 -0.59 -1.09 -0.59 -1.22 121.20 118.55 1sdd s ILE 1709Ca 0.13 -0.84 0.08 0.00 -2.23 0.00 0.00 60.65 57.79 1sdd s ILE 1709Cb -0.11 -1.50 -0.03 0.00 -1.58 0.00 0.00 42.46 39.23 1sdd s ILE 1709CO 0.02 0.11 0.26 0.00 -1.23 0.00 0.00 174.94 174.10 1sdd s ARG 1711N -3.96 4.11 0.05 0.00 1.70 -0.76 -1.78 118.95 118.32 1sdd s ARG 1711Ca 0.40 0.67 -0.15 0.00 -0.47 0.00 0.00 55.73 56.17 1sdd s ARG 1711Cb -0.05 -2.97 -0.08 0.00 -0.57 0.00 0.00 34.95 31.28 1sdd s ARG 1711CO 0.26 0.48 0.35 1.63 -1.08 0.00 0.00 175.30 176.93 1sdd n LYS 1712N 0.93 0.00 -0.93 3.89 5.02 -1.26 -2.34 118.16 123.47 1sdd n LYS 1712Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1sdd n LYS 1712Cb 0.51 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 1sdd n LYS 1712CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sdd n GLY 1713N 0.80 0.58 0.10 0.72 0.00 -1.26 -4.92 105.19 101.21 1sdd n GLY 1713Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1sdd n GLY 1713CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sdd n THR 1714N -2.84 1.62 -3.61 2.61 -1.04 -0.99 -4.90 114.28 105.13 1sdd n THR 1714Ca 0.00 -0.77 -0.34 0.00 -2.04 0.00 0.00 64.05 60.90 1sdd n THR 1714Cb 0.00 -1.12 -0.05 0.00 -1.82 0.00 0.00 70.33 67.33 1sdd n THR 1714CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sdd s LEU 1715N -6.22 4.32 0.34 -4.42 1.43 -1.26 -3.72 118.68 109.14 1sdd s LEU 1715Ca -0.09 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 1sdd s LEU 1715Cb 0.08 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 1sdd s LEU 1715CO 0.81 0.14 0.53 -0.62 0.23 0.00 0.00 176.35 177.44 1sdd s ASP 1716N -1.96 6.30 0.03 2.29 -1.08 -0.91 -4.85 116.67 116.49 1sdd s ASP 1716Ca 0.35 0.44 0.00 0.00 -0.52 0.00 0.00 52.55 52.82 1sdd s ASP 1716Cb -0.13 -2.03 0.06 0.00 -1.46 0.00 0.00 42.92 39.37 1sdd s ASP 1716CO 0.20 -0.27 0.13 0.29 0.52 0.00 0.00 175.17 176.04 1sdd n LYS 1717N -1.71 -0.01 -2.58 4.34 4.76 -1.26 0.22 118.16 121.92 1sdd n LYS 1717Ca -0.05 0.13 -0.34 0.00 -2.87 0.00 0.00 58.31 55.18 1sdd n LYS 1717Cb 0.56 -0.20 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 1sdd n LYS 1717CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1sdd n GLU 1718N -3.81 3.94 -0.64 1.97 -0.00 -1.26 -5.02 120.64 115.82 1sdd n GLU 1718Ca 0.02 -4.50 0.00 0.00 -0.00 0.00 0.00 57.16 52.68 1sdd n GLU 1718Cb 0.06 -2.33 0.00 0.00 -0.00 0.00 0.00 31.44 29.18 1sdd n GLU 1718CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1sdd n THR 1719N -0.28 0.00 -3.64 3.84 -2.24 0.58 -5.01 114.28 107.53 1sdd n THR 1719Ca 0.42 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 62.07 1sdd n THR 1719Cb 0.36 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 1sdd n THR 1719CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1sdd s ASN 1720N 0.00 -0.31 0.00 3.42 -0.87 -1.26 -4.85 114.94 111.07 1sdd s ASN 1720Ca 0.00 -0.00 -0.28 0.00 -1.57 0.00 0.00 52.86 51.01 1sdd s ASN 1720Cb 0.00 0.44 -0.04 0.00 -0.02 0.00 0.00 41.25 41.64 1sdd s ASN 1720CO 0.00 -0.70 0.88 -0.32 -2.57 0.00 0.00 177.10 174.39 1sdd s MET 1721N -2.62 4.54 -0.26 -0.60 1.75 -1.26 -2.15 119.30 118.70 1sdd s MET 1721Ca -0.04 1.24 -0.06 0.00 -1.25 0.00 0.00 55.69 55.57 1sdd s MET 1721Cb -0.01 -3.43 -0.16 0.00 2.84 0.00 0.00 34.83 34.07 1sdd s MET 1721CO -0.03 0.06 -0.22 -0.35 -0.65 0.00 0.00 175.02 173.83 1sdd n PRO 1722N 3.59 0.63 0.00 4.11 -0.04 -1.24 -4.37 135.00 137.68 1sdd n PRO 1722Ca 0.03 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1sdd n PRO 1722Cb 0.51 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1sdd n PRO 1722CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1sdd n VAL 1723N -3.73 0.00 -0.39 0.52 0.31 -1.26 -3.96 118.33 109.82 1sdd n VAL 1723Ca -0.48 0.00 0.35 0.00 -0.01 0.00 0.00 64.34 64.20 1sdd n VAL 1723Cb 0.94 -0.50 0.62 0.00 -0.91 0.00 0.00 33.84 33.99 1sdd n VAL 1723CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1sdd h ASP 1724N 0.00 0.28 -1.33 4.52 3.58 -1.91 -3.45 116.42 118.11 1sdd h ASP 1724Ca 0.00 0.21 0.07 0.00 0.42 0.00 0.00 57.03 57.73 1sdd h ASP 1724Cb 0.00 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1sdd h ASP 1724CO 0.00 -0.34 -0.15 0.80 -2.88 0.00 0.00 179.24 176.67 1sdd n MET 1725N -5.02 -0.54 -2.70 0.28 0.00 -1.25 -4.67 117.12 103.22 1sdd n MET 1725Ca 0.39 0.40 -0.05 0.00 -0.00 0.00 0.00 57.70 58.43 1sdd n MET 1725Cb 1.39 -1.02 0.01 0.00 0.00 0.00 0.00 33.22 33.60 1sdd n MET 1725CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1sdd n ARG 1726N -2.27 -2.45 -4.04 2.12 3.00 -1.26 -4.23 116.66 107.52 1sdd n ARG 1726Ca -0.01 2.15 -0.28 0.00 -0.00 0.00 0.00 57.85 59.71 1sdd n ARG 1726Cb 0.53 -5.24 -0.05 0.00 0.00 0.00 0.00 32.46 27.70 1sdd n ARG 1726CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1sdd s GLU 1727N -2.21 3.01 0.02 -0.14 2.02 -1.26 -0.48 118.70 119.66 1sdd s GLU 1727Ca 0.17 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.44 1sdd s GLU 1727Cb -0.05 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 1sdd s GLU 1727CO 0.71 0.53 -0.07 -0.06 0.02 0.00 0.00 175.26 176.39 1sdd s PHE 1728N -1.60 0.58 -0.31 1.61 0.08 0.34 -4.90 117.98 113.78 1sdd s PHE 1728Ca 0.31 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.04 1sdd s PHE 1728Cb -0.11 -0.35 0.10 0.00 -0.57 0.00 0.00 43.02 42.08 1sdd s PHE 1728CO 0.24 -0.05 0.07 0.08 -0.10 0.00 0.00 175.22 175.46 1sdd s VAL 1729N -0.84 1.28 -0.20 -0.44 1.01 -1.26 -0.33 120.40 119.62 1sdd s VAL 1729Ca -0.05 -1.60 -0.05 0.00 0.00 0.00 0.00 61.98 60.28 1sdd s VAL 1729Cb -0.07 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1sdd s VAL 1729CO 0.00 -0.59 0.01 -0.76 0.00 0.00 0.00 175.10 173.76 1sdd s LEU 1730N 1.42 3.34 -0.37 3.92 2.01 -0.66 -4.78 118.68 123.56 1sdd s LEU 1730Ca 0.08 -0.16 -0.12 0.00 0.01 0.00 0.00 54.13 53.94 1sdd s LEU 1730Cb -0.18 -1.85 0.01 0.00 0.01 0.00 0.00 46.19 44.19 1sdd s LEU 1730CO -0.19 0.08 0.23 -0.22 1.01 0.00 0.00 176.35 177.26 1sdd s LEU 1731N 0.93 4.71 -0.32 1.79 2.96 -1.26 -2.29 118.68 125.20 1sdd s LEU 1731Ca 0.02 -0.81 -0.17 0.00 -0.22 0.00 0.00 54.13 52.94 1sdd s LEU 1731Cb -0.14 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 1sdd s LEU 1731CO 0.02 -0.35 0.49 -0.36 -1.32 0.00 0.00 176.35 174.83 1sdd s PHE 1732N 1.62 3.21 0.06 5.38 0.40 -1.18 -1.59 117.98 125.89 1sdd s PHE 1732Ca 0.04 0.31 -0.27 0.00 -0.60 0.00 0.00 56.93 56.42 1sdd s PHE 1732Cb -0.19 -2.82 0.09 0.00 0.51 0.00 0.00 43.02 40.62 1sdd s PHE 1732CO 0.08 -0.43 0.82 1.41 0.70 0.00 0.00 175.22 177.80 1sdd s MET 1733N 2.31 0.99 -0.23 0.44 1.75 -1.04 -4.48 119.30 119.05 1sdd s MET 1733Ca 0.18 -0.39 -0.07 0.00 -1.25 0.00 0.00 55.69 54.16 1sdd s MET 1733Cb -0.16 0.44 -0.03 0.00 2.84 0.00 0.00 34.83 37.92 1sdd s MET 1733CO 0.12 -0.44 0.07 0.08 -0.65 0.00 0.00 175.02 174.20 1sdd s VAL 1734N -3.31 4.50 -0.22 10.11 1.01 -1.26 -2.22 120.40 129.01 1sdd s VAL 1734Ca 0.05 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 1sdd s VAL 1734Cb -0.01 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1sdd s VAL 1734CO -0.09 0.37 0.20 -0.36 0.00 0.00 0.00 175.10 175.23 1sdd s PHE 1735N 1.21 3.35 -0.47 5.22 0.40 -0.90 -4.88 117.98 121.90 1sdd s PHE 1735Ca 0.05 0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 56.62 1sdd s PHE 1735Cb -0.14 -2.30 0.12 0.00 0.51 0.00 0.00 43.02 41.21 1sdd s PHE 1735CO 0.03 0.10 0.33 0.34 0.70 0.00 0.00 175.22 176.72 1sdd s ASP 1736N 0.92 5.61 0.01 1.36 3.68 -1.26 -1.09 116.67 125.91 1sdd s ASP 1736Ca 0.10 -1.99 0.01 0.00 2.13 0.00 0.00 52.55 52.79 1sdd s ASP 1736Cb -0.13 -1.97 0.05 0.00 -1.45 0.00 0.00 42.92 39.41 1sdd s ASP 1736CO 0.04 -0.65 0.96 -0.62 0.13 0.00 0.00 175.17 175.03 1sdd n GLU 1737N 4.77 0.01 0.00 4.34 -0.58 -0.25 -1.21 120.64 127.72 1sdd n GLU 1737Ca -0.06 0.44 0.02 0.00 -0.42 0.00 0.00 57.16 57.15 1sdd n GLU 1737Cb 0.41 -1.59 0.15 0.00 -0.57 0.00 0.00 31.44 29.84 1sdd n GLU 1737CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1sdd n LYS 1738N -1.47 0.55 -2.59 3.49 5.02 -1.26 -3.19 118.16 118.71 1sdd n LYS 1738Ca -0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1sdd n LYS 1738Cb 0.07 -1.14 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 1sdd n LYS 1738CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sdd n LYS 1739N -0.64 2.12 0.00 1.97 5.02 -0.35 -4.94 118.16 121.34 1sdd n LYS 1739Ca 0.04 -3.69 0.00 0.00 -2.02 0.00 0.00 58.31 52.64 1sdd n LYS 1739Cb 0.02 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1sdd n LYS 1739CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1sdd n SER 1740N -0.43 0.00 -1.69 4.39 2.88 -1.19 -4.44 113.62 113.14 1sdd n SER 1740Ca 0.19 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.60 1sdd n SER 1740Cb 0.82 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.48 1sdd n SER 1740CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1sdd n TRP 1741N 0.00 2.06 -0.04 0.66 7.02 -1.26 -4.78 117.44 121.10 1sdd n TRP 1741Ca 0.00 -1.65 -0.01 0.00 -1.02 0.00 0.00 57.50 54.82 1sdd n TRP 1741Cb 0.00 -0.70 -0.01 0.00 -2.42 0.00 0.00 31.31 28.18 1sdd n TRP 1741CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65 1sdd n TYR 1742N -1.02 -0.04 -0.01 -5.99 9.36 -1.26 -4.62 117.16 113.57 1sdd n TYR 1742Ca 0.45 0.10 0.00 0.00 3.32 0.00 0.00 57.90 61.78 1sdd n TYR 1742Cb 1.34 -0.50 0.00 0.00 -0.63 0.00 0.00 39.34 39.55 1sdd n TYR 1742CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1sdd n TYR 1743N -3.19 0.00 -1.26 2.98 9.36 -1.26 -5.10 117.16 118.69 1sdd n TYR 1743Ca 0.00 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.25 1sdd n TYR 1743Cb 0.02 -1.01 -0.01 0.00 -0.63 0.00 0.00 39.34 37.71 1sdd n TYR 1743CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1sdd n ASP 1744N 0.00 -6.78 -0.16 2.98 -0.08 -1.26 -5.27 116.55 105.98 1sdd n ASP 1744Ca 0.00 1.47 0.00 0.00 -1.51 0.00 0.00 54.79 54.75 1sdd n ASP 1744Cb 0.00 -3.96 0.00 0.00 2.34 0.00 0.00 41.12 39.50 1sdd n ASP 1744CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1sdd n ASN 1760N -2.68 -0.97 -4.57 1.67 2.85 -1.26 -5.26 115.26 105.04 1sdd n ASN 1760Ca -0.01 0.18 -0.41 0.00 -0.11 0.00 0.00 54.58 54.22 1sdd n ASN 1760Cb 0.42 0.40 -0.03 0.00 1.24 0.00 0.00 39.78 41.81 1sdd n ASN 1760CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1sdd s SER 1761N -3.09 6.09 -1.01 1.20 0.15 -1.26 -4.89 113.70 110.89 1sdd s SER 1761Ca 0.00 0.27 -0.01 0.00 0.70 0.00 0.00 55.95 56.91 1sdd s SER 1761Cb 0.00 -2.55 0.32 0.00 -1.71 0.00 0.00 66.02 62.08 1sdd s SER 1761CO 0.00 -1.74 1.72 1.41 1.20 0.00 0.00 173.24 175.83 1sdd n HIS 1762N 9.71 2.78 -4.87 3.44 8.25 -1.26 -4.96 115.22 128.30 1sdd n HIS 1762Ca 0.12 -2.66 -0.31 0.00 -0.26 0.00 0.00 57.72 54.61 1sdd n HIS 1762Cb 0.49 -1.16 -0.14 0.00 1.12 0.00 0.00 29.99 30.31 1sdd n HIS 1762CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1sdd s GLU 1763N -4.06 2.15 -0.23 -0.41 2.02 -1.26 -1.09 118.70 115.81 1sdd s GLU 1763Ca 0.39 -0.92 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 1sdd s GLU 1763Cb 0.18 -2.18 0.07 0.00 0.10 0.00 0.00 34.13 32.30 1sdd s GLU 1763CO -0.10 0.56 0.01 -0.06 0.02 0.00 0.00 175.26 175.70 1sdd s PHE 1764N -0.80 1.71 -1.00 1.61 0.40 -0.25 -4.96 117.98 114.70 1sdd s PHE 1764Ca 0.13 -1.39 -0.23 0.00 -0.60 0.00 0.00 56.93 54.83 1sdd s PHE 1764Cb -0.10 -1.39 0.05 0.00 0.51 0.00 0.00 43.02 42.09 1sdd s PHE 1764CO 0.02 -0.73 1.42 -1.01 0.70 0.00 0.00 175.22 175.63 1sdd s HIS 1765N 1.62 2.55 0.46 0.36 3.76 -1.26 -2.13 115.29 120.65 1sdd s HIS 1765Ca -0.01 -0.82 0.04 0.00 -0.15 0.00 0.00 55.06 54.13 1sdd s HIS 1765Cb -0.18 -4.67 -0.05 0.00 1.11 0.00 0.00 32.58 28.79 1sdd s HIS 1765CO -0.10 -1.92 0.02 0.00 -0.85 0.00 0.00 174.74 171.88 1sdd s ALA 1766N 4.90 3.64 -0.09 -1.40 0.00 -0.94 -0.34 121.76 127.52 1sdd s ALA 1766Ca 0.44 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1sdd s ALA 1766Cb -0.01 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1sdd s ALA 1766CO -0.08 -0.08 -0.13 0.42 0.00 0.00 0.00 175.76 175.89 1sdd s ILE 1767N -2.79 1.26 -1.26 0.00 1.01 -0.57 -2.48 121.20 116.37 1sdd s ILE 1767Ca 0.22 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 1sdd s ILE 1767Cb 0.06 -1.17 0.09 0.00 0.01 0.00 0.00 42.46 41.45 1sdd s ILE 1767CO 0.11 0.39 0.47 0.59 0.00 0.00 0.00 174.94 176.51 1sdd n ASN 1768N 4.19 -3.12 -0.98 3.58 4.13 -0.62 -0.46 115.26 121.98 1sdd n ASN 1768Ca -0.19 -0.46 -0.10 0.00 1.68 0.00 0.00 54.58 55.50 1sdd n ASN 1768Cb 0.51 -2.61 -0.03 0.00 -1.54 0.00 0.00 39.78 36.11 1sdd n ASN 1768CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sdd n GLY 1769N -1.10 0.58 3.18 7.41 0.00 -1.26 -1.59 105.19 112.41 1sdd n GLY 1769Ca 0.01 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 1sdd n GLY 1769CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sdd s MET 1770N -3.66 1.24 -0.10 1.61 0.00 0.40 -4.59 119.30 114.19 1sdd s MET 1770Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 55.69 54.94 1sdd s MET 1770Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 34.83 33.54 1sdd s MET 1770CO 0.00 0.33 -0.11 0.96 0.00 0.00 0.00 175.02 176.20 1sdd s ILE 1771N -0.66 3.24 0.00 10.11 -4.36 -1.26 -1.51 121.20 126.76 1sdd s ILE 1771Ca 0.05 -0.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.83 1sdd s ILE 1771Cb -0.08 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.30 1sdd s ILE 1771CO 0.01 0.55 0.00 -1.22 0.24 0.00 0.00 174.94 174.52 1sdd n TYR 1772N 3.00 0.00 -3.58 1.37 4.01 -0.25 -4.15 117.16 117.56 1sdd n TYR 1772Ca -0.18 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.40 1sdd n TYR 1772Cb 0.53 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.42 1sdd n TYR 1772CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1sdd s ASN 1773N 0.00 0.84 -0.32 7.72 3.84 -1.23 -3.85 114.94 121.94 1sdd s ASN 1773Ca 0.00 0.19 0.02 0.00 0.21 0.00 0.00 52.86 53.28 1sdd s ASN 1773Cb 0.00 0.51 0.08 0.00 -0.55 0.00 0.00 41.25 41.29 1sdd s ASN 1773CO 0.00 -0.28 0.02 -0.22 -2.79 0.00 0.00 177.10 173.83 1sdd s LEU 1774N 2.36 4.35 0.77 3.21 2.96 -1.26 -4.63 118.68 126.44 1sdd s LEU 1774Ca 0.04 -1.79 -0.11 0.00 -0.22 0.00 0.00 54.13 52.05 1sdd s LEU 1774Cb -0.14 -1.65 0.05 0.00 0.50 0.00 0.00 46.19 44.95 1sdd s LEU 1774CO -0.10 -0.33 1.08 -2.16 -1.32 0.00 0.00 176.35 173.52 1sdd s PRO 1775N 1.05 2.34 0.00 0.98 0.04 -1.26 -4.40 135.00 133.75 1sdd s PRO 1775Ca 0.03 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1sdd s PRO 1775Cb -0.20 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1sdd s PRO 1775CO -0.05 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 175.91 1sdd n GLY 1776N -1.89 0.66 3.33 0.56 0.00 -1.26 -3.63 105.19 102.97 1sdd n GLY 1776Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 1sdd n GLY 1776CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sdd s LEU 1777N 0.00 6.25 -0.03 0.99 1.43 -1.26 -4.41 118.68 121.65 1sdd s LEU 1777Ca 0.00 -2.10 0.02 0.00 -1.03 0.00 0.00 54.13 51.02 1sdd s LEU 1777Cb 0.00 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 44.00 1sdd s LEU 1777CO 0.00 -0.80 -0.06 -0.13 0.23 0.00 0.00 176.35 175.60 1sdd s ARG 1778N 1.25 0.75 0.18 1.70 0.52 -1.26 -1.01 118.95 121.08 1sdd s ARG 1778Ca 0.11 -0.17 -0.10 0.00 -0.52 0.00 0.00 55.73 55.05 1sdd s ARG 1778Cb -0.20 -0.74 -0.01 0.00 0.52 0.00 0.00 34.95 34.52 1sdd s ARG 1778CO -0.02 0.02 0.32 0.00 0.02 0.00 0.00 175.30 175.64 1sdd s MET 1779N 0.46 1.23 0.00 3.54 0.23 -0.46 -4.90 119.30 119.39 1sdd s MET 1779Ca -0.06 -1.19 -0.14 0.00 -1.03 0.00 0.00 55.69 53.27 1sdd s MET 1779Cb -0.10 0.39 -0.06 0.00 -1.53 0.00 0.00 34.83 33.54 1sdd s MET 1779CO 0.00 -0.46 0.39 0.71 -2.03 0.00 0.00 175.02 173.63 1sdd s TYR 1780N -3.98 3.70 0.10 3.16 2.02 -1.26 -0.15 117.35 120.94 1sdd s TYR 1780Ca 0.19 0.93 -0.35 0.00 -0.37 0.00 0.00 57.07 57.47 1sdd s TYR 1780Cb 0.03 -2.25 -0.15 0.00 -0.40 0.00 0.00 41.96 39.19 1sdd s TYR 1780CO 0.02 0.64 1.51 -1.91 -1.57 0.00 0.00 175.55 174.24 1sdd n GLU 1781N 1.71 1.74 -2.31 -0.62 2.13 -0.13 -1.21 120.64 121.94 1sdd n GLU 1781Ca -0.14 0.63 -0.14 0.00 0.66 0.00 0.00 57.16 58.17 1sdd n GLU 1781Cb 0.53 -2.35 -0.00 0.00 0.27 0.00 0.00 31.44 29.88 1sdd n GLU 1781CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1sdd n GLN 1782N 3.35 -1.33 -4.62 5.31 1.13 0.21 -4.55 117.38 116.88 1sdd n GLN 1782Ca 0.18 0.68 -0.34 0.00 -1.94 0.00 0.00 57.00 55.59 1sdd n GLN 1782Cb 0.25 -4.97 -0.12 0.00 0.11 0.00 0.00 30.24 25.51 1sdd n GLN 1782CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1sdd s GLU 1783N -4.76 3.03 -0.29 -1.09 2.12 -0.35 -4.87 118.70 112.49 1sdd s GLU 1783Ca 0.02 -0.57 -0.28 0.00 0.36 0.00 0.00 54.97 54.49 1sdd s GLU 1783Cb -0.01 -2.65 0.01 0.00 0.26 0.00 0.00 34.13 31.74 1sdd s GLU 1783CO 0.02 0.50 1.03 -1.58 -0.54 0.00 0.00 175.26 174.69 1sdd s TRP 1784N -0.37 3.21 0.19 5.30 0.52 -1.26 -2.35 118.94 124.17 1sdd s TRP 1784Ca 0.05 1.23 0.08 0.00 0.02 0.00 0.00 56.10 57.48 1sdd s TRP 1784Cb -0.12 -3.52 -0.04 0.00 -1.15 0.00 0.00 33.47 28.64 1sdd s TRP 1784CO 0.02 -0.66 -0.04 0.14 0.02 0.00 0.00 176.95 176.43 1sdd s VAL 1785N 3.44 3.47 -0.18 4.03 -7.23 -0.33 -4.71 120.40 118.89 1sdd s VAL 1785Ca 0.43 -1.58 -0.04 0.00 -1.81 0.00 0.00 61.98 58.99 1sdd s VAL 1785Cb -0.13 -2.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.04 1sdd s VAL 1785CO 0.12 -0.14 -0.03 -0.60 -0.31 0.00 0.00 175.10 174.14 1sdd s ARG 1786N -2.98 3.56 -0.16 4.82 3.52 0.37 -1.53 118.95 126.54 1sdd s ARG 1786Ca 0.27 -0.56 -0.07 0.00 -0.13 0.00 0.00 55.73 55.24 1sdd s ARG 1786Cb -0.09 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 1sdd s ARG 1786CO 0.17 0.05 0.08 -0.51 -0.81 0.00 0.00 175.30 174.29 1sdd s LEU 1787N 0.86 3.97 -0.37 -0.88 2.01 -1.16 -0.50 118.68 122.61 1sdd s LEU 1787Ca -0.01 0.19 -0.00 0.00 0.01 0.00 0.00 54.13 54.32 1sdd s LEU 1787Cb -0.14 -1.99 0.10 0.00 0.01 0.00 0.00 46.19 44.16 1sdd s LEU 1787CO 0.02 0.25 0.11 -1.00 1.01 0.00 0.00 176.35 176.74 1sdd s HIS 1788N -0.07 3.58 -0.22 0.29 3.76 0.56 -2.06 115.29 121.13 1sdd s HIS 1788Ca 0.08 -2.50 -0.13 0.00 -0.15 0.00 0.00 55.06 52.35 1sdd s HIS 1788Cb -0.12 -2.91 -0.04 0.00 1.11 0.00 0.00 32.58 30.62 1sdd s HIS 1788CO 0.01 -0.94 0.29 -0.51 -0.85 0.00 0.00 174.74 172.75 1sdd s LEU 1789N 1.09 4.13 -0.06 0.89 1.43 0.47 -1.66 118.68 124.97 1sdd s LEU 1789Ca 0.06 0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1sdd s LEU 1789Cb -0.21 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.70 1sdd s LEU 1789CO -0.05 -0.02 -0.02 -1.48 0.23 0.00 0.00 176.35 175.02 1sdd s LEU 1790N 1.24 0.91 -0.30 1.79 0.05 -0.97 -0.40 118.68 120.99 1sdd s LEU 1790Ca 0.14 -0.10 0.03 0.00 0.05 0.00 0.00 54.13 54.25 1sdd s LEU 1790Cb -0.14 -0.43 0.08 0.00 -2.05 0.00 0.00 46.19 43.65 1sdd s LEU 1790CO 0.07 -0.14 -0.02 0.21 -0.55 0.00 0.00 176.35 175.92 1sdd s ASN 1791N 1.52 4.64 -0.42 1.48 2.47 -0.14 -3.09 114.94 121.40 1sdd s ASN 1791Ca -0.02 -1.78 0.05 0.00 0.42 0.00 0.00 52.86 51.53 1sdd s ASN 1791Cb -0.13 -1.60 0.61 0.00 -1.45 0.00 0.00 41.25 38.68 1sdd s ASN 1791CO -0.03 -0.29 1.80 0.18 -3.72 0.00 0.00 177.10 175.03 1sdd n LEU 1792N 4.36 6.09 -5.02 3.21 4.77 -1.26 -0.14 117.00 129.00 1sdd n LEU 1792Ca -0.05 -3.73 -0.19 0.00 -0.03 0.00 0.00 56.01 52.02 1sdd n LEU 1792Cb 0.42 -0.79 0.04 0.00 -2.33 0.00 0.00 43.42 40.76 1sdd n LEU 1792CO 0.22 1.16 0.28 -0.83 -1.33 0.00 0.00 177.39 176.89 1sdd s GLY 1793N -1.71 1.83 0.00 -0.72 0.00 -1.26 -4.80 107.32 100.66 1sdd s GLY 1793Ca 0.54 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1sdd s GLY 1793CO 0.07 -1.53 0.00 0.61 0.00 0.00 0.00 173.10 172.25 1sdd n GLY 1794N -2.12 -2.52 0.14 0.20 0.00 -1.26 -4.02 105.19 95.61 1sdd n GLY 1794Ca 0.12 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.32 1sdd n GLY 1794CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sdd h SER 1795N -1.30 0.00 -0.19 1.61 4.64 -1.99 -3.19 113.55 113.12 1sdd h SER 1795Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sdd h SER 1795Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sdd h SER 1795CO 0.00 0.55 0.00 -2.11 -0.87 0.00 0.00 176.83 174.40 1sdd n ARG 1796N -3.37 1.46 0.00 4.77 1.85 -1.26 -4.54 116.66 115.57 1sdd n ARG 1796Ca 0.01 -0.72 0.00 0.00 -1.00 0.00 0.00 57.85 56.14 1sdd n ARG 1796Cb 0.69 -1.17 0.00 0.00 -1.05 0.00 0.00 32.46 30.93 1sdd n ARG 1796CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1sdd n ASP 1797N 0.07 0.00 -2.44 2.89 9.92 -1.21 -5.03 116.55 120.75 1sdd n ASP 1797Ca 0.07 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.32 1sdd n ASP 1797Cb 0.17 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.64 1sdd n ASP 1797CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1sdd n ILE 1798N 0.00-10.97 -4.06 0.53 5.41 -1.26 -5.01 119.36 104.00 1sdd n ILE 1798Ca 0.00 2.50 -0.23 0.00 1.00 0.00 0.00 62.75 66.02 1sdd n ILE 1798Cb 0.00 -5.48 -0.17 0.00 -0.71 0.00 0.00 39.64 33.28 1sdd n ILE 1798CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1sdd s HIS 1799N -0.51 0.96 -0.95 1.39 3.76 -0.69 -4.98 115.29 114.27 1sdd s HIS 1799Ca -0.09 -0.34 -0.14 0.00 -0.15 0.00 0.00 55.06 54.34 1sdd s HIS 1799Cb 0.01 -0.86 0.22 0.00 1.11 0.00 0.00 32.58 33.05 1sdd s HIS 1799CO 0.24 -0.30 0.97 0.08 -0.85 0.00 0.00 174.74 174.88 1sdd s VAL 1800N 1.32 5.52 0.05 -0.90 1.01 -0.68 -1.35 120.40 125.37 1sdd s VAL 1800Ca -0.04 -2.59 -0.31 0.00 0.00 0.00 0.00 61.98 59.04 1sdd s VAL 1800Cb -0.14 -4.59 -0.10 0.00 0.00 0.00 0.00 36.38 31.55 1sdd s VAL 1800CO -0.02 -1.20 1.91 1.33 0.00 0.00 0.00 175.10 177.11 1sdd n VAL 1801N 3.95 0.59 -4.08 2.92 0.24 -1.07 -3.39 118.33 117.48 1sdd n VAL 1801Ca 0.20 -0.11 -0.29 0.00 -2.04 0.00 0.00 64.34 62.10 1sdd n VAL 1801Cb 0.45 -2.18 -0.17 0.00 -1.47 0.00 0.00 33.84 30.47 1sdd n VAL 1801CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1sdd s HIS 1802N 3.74 2.01 -0.52 6.34 5.04 0.57 -2.24 115.29 130.23 1sdd s HIS 1802Ca 0.87 -1.08 -0.14 0.00 -1.54 0.00 0.00 55.06 53.17 1sdd s HIS 1802Cb -0.49 -1.50 0.13 0.00 0.04 0.00 0.00 32.58 30.76 1sdd s HIS 1802CO 0.42 -0.61 0.46 -0.06 -2.34 0.00 0.00 174.74 172.61 1sdd s PHE 1803N 1.43 3.30 0.21 3.88 0.08 -1.26 -1.49 117.98 124.14 1sdd s PHE 1803Ca 0.03 -1.46 -0.31 0.00 0.12 0.00 0.00 56.93 55.30 1sdd s PHE 1803Cb -0.13 -3.72 -0.15 0.00 -0.57 0.00 0.00 43.02 38.45 1sdd s PHE 1803CO -0.09 -1.01 1.13 0.72 -0.10 0.00 0.00 175.22 175.87 1sdd n HIS 1804N 5.14 1.34 -1.13 0.36 8.25 -0.64 -1.11 115.22 127.43 1sdd n HIS 1804Ca -0.12 0.67 -0.05 0.00 -0.26 0.00 0.00 57.72 57.96 1sdd n HIS 1804Cb 0.40 -2.28 -0.02 0.00 1.12 0.00 0.00 29.99 29.21 1sdd n HIS 1804CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sdd n GLY 1805N 1.80 0.49 3.56 -1.41 0.00 -1.26 -4.76 105.19 103.61 1sdd n GLY 1805Ca 0.13 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1sdd n GLY 1805CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sdd s GLN 1806N -2.23 1.85 -0.14 1.61 -1.52 -0.27 -4.69 119.66 114.28 1sdd s GLN 1806Ca 0.00 -2.03 -0.02 0.00 -1.95 0.00 0.00 55.36 51.36 1sdd s GLN 1806Cb 0.00 -1.46 0.04 0.00 -0.22 0.00 0.00 33.01 31.37 1sdd s GLN 1806CO 0.00 -0.05 0.01 0.99 -0.25 0.00 0.00 175.29 176.00 1sdd s THR 1807N -2.83 0.49 0.52 -0.19 2.01 -1.26 -4.84 115.64 109.52 1sdd s THR 1807Ca 0.35 -0.25 -0.19 0.00 0.31 0.00 0.00 61.69 61.91 1sdd s THR 1807Cb 0.08 -0.82 -0.07 0.00 0.01 0.00 0.00 72.50 71.71 1sdd s THR 1807CO 0.17 0.03 1.05 -0.76 -0.69 0.00 0.00 174.62 174.41 1sdd s LEU 1808N 1.90 3.74 -0.05 4.42 1.02 -0.81 -4.28 118.68 124.62 1sdd s LEU 1808Ca 0.02 1.90 0.03 0.00 0.02 0.00 0.00 54.13 56.10 1sdd s LEU 1808Cb -0.15 -4.55 0.00 0.00 0.02 0.00 0.00 46.19 41.51 1sdd s LEU 1808CO -0.07 -0.90 -0.15 -0.22 0.02 0.00 0.00 176.35 175.03 1sdd s LEU 1809N -3.79 1.83 -0.43 1.79 2.96 -0.63 -1.80 118.68 118.60 1sdd s LEU 1809Ca 0.66 -0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 54.08 1sdd s LEU 1809Cb -0.16 -0.91 0.04 0.00 0.50 0.00 0.00 46.19 45.65 1sdd s LEU 1809CO 0.25 0.11 0.38 -0.70 -1.32 0.00 0.00 176.35 175.07 1sdd s GLU 1810N 0.27 3.01 -0.25 1.98 2.12 0.09 -2.63 118.70 123.29 1sdd s GLU 1810Ca -0.08 -1.03 -0.10 0.00 0.36 0.00 0.00 54.97 54.12 1sdd s GLU 1810Cb -0.13 -4.02 -0.05 0.00 0.26 0.00 0.00 34.13 30.19 1sdd s GLU 1810CO 0.03 -0.88 0.16 1.21 -0.54 0.00 0.00 175.26 175.24 1sdd s ASN 1811N 2.01 5.99 0.00 -1.70 3.84 -1.26 -2.29 114.94 121.53 1sdd s ASN 1811Ca 0.07 0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.19 1sdd s ASN 1811Cb -0.20 -2.09 0.00 0.00 -0.55 0.00 0.00 41.25 38.41 1sdd s ASN 1811CO 0.10 0.03 0.00 0.61 -2.79 0.00 0.00 177.10 175.05 1sdd n GLY 1812N 4.53 1.39 0.00 1.21 0.00 -1.26 -4.27 105.19 106.79 1sdd n GLY 1812Ca -0.15 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.51 1sdd n GLY 1812CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sdd n THR 1813N 0.00 0.37 -3.82 2.61 -1.04 -1.26 -3.82 114.28 107.32 1sdd n THR 1813Ca 0.00 0.09 -0.12 0.00 -2.04 0.00 0.00 64.05 61.98 1sdd n THR 1813Cb 0.00 -0.90 -0.12 0.00 -1.82 0.00 0.00 70.33 67.48 1sdd n THR 1813CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sdd s GLN 1814N -2.30 0.22 -0.13 -2.82 0.00 -1.26 -5.08 119.66 108.30 1sdd s GLN 1814Ca 0.14 0.17 0.02 0.00 -0.00 0.00 0.00 55.36 55.70 1sdd s GLN 1814Cb 0.08 0.10 -0.00 0.00 0.00 0.00 0.00 33.01 33.19 1sdd s GLN 1814CO 0.16 -0.03 -0.20 -0.65 0.00 0.00 0.00 175.29 174.57 1sdd s GLN 1815N -0.04 3.14 -0.02 9.60 -0.21 -1.25 -4.30 119.66 126.57 1sdd s GLN 1815Ca -0.01 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 54.57 1sdd s GLN 1815Cb -0.02 -2.46 0.01 0.00 1.00 0.00 0.00 33.01 31.54 1sdd s GLN 1815CO 0.00 0.11 -0.05 -1.01 -2.12 0.00 0.00 175.29 172.22 1sdd s HIS 1816N 0.56 0.62 -0.59 0.91 3.76 -0.97 -4.96 115.29 114.62 1sdd s HIS 1816Ca -0.12 -0.14 -0.19 0.00 -0.15 0.00 0.00 55.06 54.47 1sdd s HIS 1816Cb -0.16 -0.49 0.11 0.00 1.11 0.00 0.00 32.58 33.14 1sdd s HIS 1816CO 0.04 -0.09 0.70 -0.65 -0.85 0.00 0.00 174.74 173.89 1sdd s GLN 1817N 0.35 3.04 0.38 1.40 -1.52 -1.26 -0.73 119.66 121.32 1sdd s GLN 1817Ca -0.04 -1.35 -0.04 0.00 -1.95 0.00 0.00 55.36 51.98 1sdd s GLN 1817Cb -0.08 -4.27 -0.04 0.00 -0.22 0.00 0.00 33.01 28.40 1sdd s GLN 1817CO -0.00 -1.53 0.65 -0.51 -0.25 0.00 0.00 175.29 173.64 1sdd s LEU 1818N 2.63 3.88 -0.00 2.90 2.01 -0.75 -4.98 118.68 124.37 1sdd s LEU 1818Ca 0.11 0.75 0.09 0.00 0.01 0.00 0.00 54.13 55.08 1sdd s LEU 1818Cb -0.24 -3.63 -0.10 0.00 0.01 0.00 0.00 46.19 42.22 1sdd s LEU 1818CO 0.06 -0.37 0.34 0.61 1.01 0.00 0.00 176.35 178.00 1sdd n GLY 1819N -1.66 0.06 3.48 -3.19 0.00 -1.26 -1.92 105.19 100.70 1sdd n GLY 1819Ca -0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 1sdd n GLY 1819CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sdd s VAL 1820N -1.98 0.00 -0.08 1.61 -7.23 -1.26 -4.64 120.40 106.83 1sdd s VAL 1820Ca 0.02 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.21 1sdd s VAL 1820Cb 0.07 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 36.02 1sdd s VAL 1820CO 0.37 0.00 -0.11 0.86 -0.31 0.00 0.00 175.10 175.90 1sdd s TRP 1821N -2.81 1.48 -0.59 2.82 -0.00 -0.95 -4.99 118.94 113.90 1sdd s TRP 1821Ca -0.00 -0.59 -0.27 0.00 -0.00 0.00 0.00 56.10 55.24 1sdd s TRP 1821Cb -0.01 -1.11 -0.00 0.00 -0.00 0.00 0.00 33.47 32.35 1sdd s TRP 1821CO -0.06 -0.33 1.65 -2.14 -0.00 0.00 0.00 176.95 176.07 1sdd s PRO 1822N 0.87 2.95 -0.56 5.86 0.02 -1.26 -2.60 135.00 140.28 1sdd s PRO 1822Ca -0.11 0.51 -0.19 0.00 0.02 0.00 0.00 61.00 61.24 1sdd s PRO 1822Cb -0.15 -4.27 0.09 0.00 0.02 0.00 0.00 34.50 30.19 1sdd s PRO 1822CO 0.01 -2.36 0.66 -1.17 -0.33 0.00 0.00 177.00 173.82 1sdd s LEU 1823N 7.57 5.33 0.41 -5.54 0.20 -0.46 -5.00 118.68 121.20 1sdd s LEU 1823Ca 0.60 -1.31 -0.08 0.00 0.69 0.00 0.00 54.13 54.03 1sdd s LEU 1823Cb -0.12 -2.33 -0.05 0.00 -0.43 0.00 0.00 46.19 43.25 1sdd s LEU 1823CO 0.22 -1.02 0.74 -0.76 -0.29 0.00 0.00 176.35 175.24 1sdd s LEU 1824N 2.57 3.81 0.83 -0.68 1.43 -1.26 -1.71 118.68 123.67 1sdd s LEU 1824Ca 0.12 1.02 -0.15 0.00 -1.03 0.00 0.00 54.13 54.08 1sdd s LEU 1824Cb -0.23 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.04 1sdd s LEU 1824CO 0.08 -0.42 0.26 -2.65 0.23 0.00 0.00 176.35 173.84 1sdd n PRO 1825N -1.51 0.03 -1.16 1.29 -0.02 -1.26 -2.24 135.00 130.11 1sdd n PRO 1825Ca 0.01 0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.45 1sdd n PRO 1825Cb 0.54 -1.67 -0.04 0.00 -0.02 0.00 0.00 33.50 32.31 1sdd n PRO 1825CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sdd n GLY 1826N 1.91 0.88 3.60 -1.23 0.00 0.79 -4.94 105.19 106.20 1sdd n GLY 1826Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1sdd n GLY 1826CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sdd s SER 1827N -1.98 4.41 -0.03 1.61 1.04 -0.95 -4.97 113.70 112.83 1sdd s SER 1827Ca 0.00 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.95 1sdd s SER 1827Cb 0.00 -0.81 0.00 0.00 0.10 0.00 0.00 66.02 65.31 1sdd s SER 1827CO 0.00 0.11 -0.11 -0.36 0.98 0.00 0.00 173.24 173.86 1sdd s PHE 1828N -1.65 1.14 -0.04 5.02 0.08 -1.26 -0.97 117.98 120.30 1sdd s PHE 1828Ca 0.25 -0.30 -0.14 0.00 0.12 0.00 0.00 56.93 56.86 1sdd s PHE 1828Cb -0.09 -0.80 0.02 0.00 -0.57 0.00 0.00 43.02 41.58 1sdd s PHE 1828CO 0.16 -0.12 0.31 0.21 -0.10 0.00 0.00 175.22 175.68 1sdd s LYS 1829N 0.16 0.60 -0.04 0.44 2.47 0.46 -4.99 119.74 118.84 1sdd s LYS 1829Ca -0.03 -0.05 0.03 0.00 -1.56 0.00 0.00 55.97 54.36 1sdd s LYS 1829Cb -0.09 0.27 0.00 0.00 -1.46 0.00 0.00 37.83 36.55 1sdd s LYS 1829CO 0.01 -0.15 -0.14 -0.08 0.16 0.00 0.00 175.35 175.15 1sdd s THR 1830N -0.98 1.17 -0.24 3.43 -1.32 -1.26 -0.40 115.64 116.04 1sdd s THR 1830Ca -0.10 -0.55 -0.09 0.00 -1.21 0.00 0.00 61.69 59.73 1sdd s THR 1830Cb -0.05 -1.03 0.10 0.00 -1.51 0.00 0.00 72.50 70.02 1sdd s THR 1830CO 0.03 0.35 0.53 -1.48 -2.21 0.00 0.00 174.62 171.85 1sdd s LEU 1831N 0.25 -0.81 0.00 9.08 2.34 -0.87 -4.69 118.68 123.97 1sdd s LEU 1831Ca -0.06 1.26 -0.23 0.00 0.06 0.00 0.00 54.13 55.15 1sdd s LEU 1831Cb -0.12 1.83 0.36 0.00 -0.56 0.00 0.00 46.19 47.70 1sdd s LEU 1831CO 0.02 -0.22 0.93 -1.84 -1.06 0.00 0.00 176.35 174.17 1sdd n GLU 1832N 5.17 -4.39 -3.64 1.48 0.00 -1.08 -2.98 120.64 115.20 1sdd n GLU 1832Ca -0.13 -1.53 -0.05 0.00 0.00 0.00 0.00 57.16 55.45 1sdd n GLU 1832Cb 0.51 -1.81 -0.07 0.00 0.00 0.00 0.00 31.44 30.07 1sdd n GLU 1832CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 1sdd s MET 1833N -5.18 0.46 -0.49 3.44 -2.45 -0.58 -1.60 119.30 112.90 1sdd s MET 1833Ca 0.68 0.70 -0.12 0.00 -1.25 0.00 0.00 55.69 55.69 1sdd s MET 1833Cb -0.10 0.15 0.11 0.00 1.25 0.00 0.00 34.83 36.24 1sdd s MET 1833CO 0.55 -0.08 0.39 0.21 1.05 0.00 0.00 175.02 177.14 1sdd s LYS 1834N 0.95 2.72 0.51 4.11 2.20 -1.26 -1.19 119.74 127.79 1sdd s LYS 1834Ca -0.05 -1.65 -0.22 0.00 -0.36 0.00 0.00 55.97 53.69 1sdd s LYS 1834Cb -0.04 -4.05 -0.07 0.00 -1.51 0.00 0.00 37.83 32.16 1sdd s LYS 1834CO -0.12 -1.18 1.22 0.00 -0.36 0.00 0.00 175.35 174.91 1sdd n ALA 1835N 5.06 1.10 -3.76 3.13 0.00 -0.99 -4.75 120.51 120.30 1sdd n ALA 1835Ca -0.11 0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 1sdd n ALA 1835Cb 0.41 -2.26 -0.16 0.00 0.00 0.00 0.00 19.45 17.44 1sdd n ALA 1835CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1sdd s SER 1836N -0.86 0.17 0.11 0.00 1.04 -1.26 0.64 113.70 113.53 1sdd s SER 1836Ca 0.69 0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1sdd s SER 1836Cb -0.45 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1sdd s SER 1836CO 0.52 -0.13 0.00 0.29 0.98 0.00 0.00 173.24 174.90 1sdd n LYS 1837N 4.22 -1.77 -0.89 4.02 5.02 -1.26 -4.93 118.16 122.57 1sdd n LYS 1837Ca -0.27 1.38 -0.31 0.00 -2.02 0.00 0.00 58.31 57.09 1sdd n LYS 1837Cb 0.50 -1.39 0.14 0.00 -0.02 0.00 0.00 35.03 34.27 1sdd n LYS 1837CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1sdd s PRO 1838N -3.01 1.37 0.00 1.97 0.02 -1.26 -4.82 135.00 129.26 1sdd s PRO 1838Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.41 1sdd s PRO 1838Cb 0.00 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.74 1sdd s PRO 1838CO 0.00 -2.34 0.00 0.41 -0.33 0.00 0.00 177.00 174.74 1sdd n GLY 1839N -0.27 0.85 3.52 0.52 0.00 -0.85 -4.95 105.19 104.01 1sdd n GLY 1839Ca 0.11 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 1sdd n GLY 1839CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sdd s TRP 1840N -0.93 3.20 0.32 1.61 0.52 -1.26 -2.42 118.94 119.97 1sdd s TRP 1840Ca 0.00 -0.18 0.09 0.00 0.02 0.00 0.00 56.10 56.03 1sdd s TRP 1840Cb 0.00 -2.38 -0.05 0.00 -1.15 0.00 0.00 33.47 29.89 1sdd s TRP 1840CO 0.00 -0.30 0.01 -1.58 0.02 0.00 0.00 176.95 175.10 1sdd s TRP 1841N 1.70 2.57 0.13 -1.98 0.52 -0.95 -4.94 118.94 115.98 1sdd s TRP 1841Ca 0.06 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.84 1sdd s TRP 1841Cb -0.16 -1.42 -0.04 0.00 -1.15 0.00 0.00 33.47 30.70 1sdd s TRP 1841CO 0.09 0.51 0.11 -1.17 0.02 0.00 0.00 176.95 176.51 1sdd s LEU 1842N -3.71 3.80 -0.13 2.99 2.96 -1.26 -0.57 118.68 122.76 1sdd s LEU 1842Ca 0.34 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1sdd s LEU 1842Cb -0.02 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.26 1sdd s LEU 1842CO 0.19 0.11 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.98 1sdd s LEU 1843N -2.82 1.65 0.23 -0.68 2.96 -0.11 -1.62 118.68 118.28 1sdd s LEU 1843Ca 0.30 -0.45 -0.13 0.00 -0.22 0.00 0.00 54.13 53.64 1sdd s LEU 1843Cb -0.11 -1.11 -0.00 0.00 0.50 0.00 0.00 46.19 45.47 1sdd s LEU 1843CO 0.23 -0.04 0.45 1.51 -1.32 0.00 0.00 176.35 177.18 1sdd s ASP 1844N 1.33 -0.09 0.02 3.68 1.47 -0.55 -0.79 116.67 121.73 1sdd s ASP 1844Ca 0.01 -0.88 0.27 0.00 1.18 0.00 0.00 52.55 53.13 1sdd s ASP 1844Cb -0.14 0.56 0.94 0.00 -0.34 0.00 0.00 42.92 43.95 1sdd s ASP 1844CO -0.07 -1.09 1.73 1.07 0.68 0.00 0.00 175.17 177.49 1sdd n THR 1845N -0.35 0.05 -0.93 2.11 5.66 -1.16 0.21 114.28 119.86 1sdd n THR 1845Ca -0.03 -0.03 -0.03 0.00 -3.05 0.00 0.00 64.05 60.91 1sdd n THR 1845Cb 0.62 -0.25 -0.01 0.00 -1.55 0.00 0.00 70.33 69.14 1sdd n THR 1845CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1sdd n GLU 1846N -1.56 -1.29 -3.21 1.09 0.28 -1.22 -1.69 120.64 113.04 1sdd n GLU 1846Ca 0.06 0.23 -0.45 0.00 -0.16 0.00 0.00 57.16 56.84 1sdd n GLU 1846Cb 0.35 -4.07 -0.01 0.00 1.43 0.00 0.00 31.44 29.14 1sdd n GLU 1846CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1sdd s VAL 1847N -1.13 5.51 0.00 3.84 1.01 -1.26 -4.94 120.40 123.43 1sdd s VAL 1847Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 61.98 59.33 1sdd s VAL 1847Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1sdd s VAL 1847CO 0.00 -1.24 0.00 0.61 0.00 0.00 0.00 175.10 174.47 1sdd n GLY 1848N 3.84 0.00 0.37 4.51 0.00 -1.26 -0.32 105.19 112.34 1sdd n GLY 1848Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 1sdd n GLY 1848CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sdd h GLU 1849N 0.00 0.75 0.03 1.61 5.08 -2.00 -2.07 114.58 117.97 1sdd h GLU 1849Ca 0.00 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1sdd h GLU 1849Cb 0.00 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.09 1sdd h GLU 1849CO 0.00 0.50 -0.56 0.82 -1.00 0.00 0.00 179.01 178.77 1sdd h ILE 1850N 0.77 1.48 -0.48 3.13 2.04 -1.09 -3.21 117.51 120.16 1sdd h ILE 1850Ca 0.49 -2.15 0.09 0.00 1.00 0.00 0.00 64.86 64.29 1sdd h ILE 1850Cb 0.73 2.78 -0.07 0.00 -0.74 0.00 0.00 36.82 39.51 1sdd h ILE 1850CO -0.26 0.61 0.04 -0.61 0.00 0.00 0.00 178.15 177.93 1sdd h GLN 1851N -0.26 0.15 0.00 2.37 -0.00 -1.07 0.87 115.11 117.18 1sdd h GLN 1851Ca -0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 1sdd h GLN 1851Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.75 1sdd h GLN 1851CO 0.11 0.10 0.00 0.07 0.00 0.00 0.00 178.83 179.11 1sdd h ARG 1852N 0.16 0.00 0.00 1.69 -0.00 -1.49 -1.52 114.38 113.21 1sdd h ARG 1852Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.22 1sdd h ARG 1852Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.32 1sdd h ARG 1852CO -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 179.97 179.60 1sdd n ALA 1853N -2.08 2.26 0.00 0.08 0.00 0.29 -4.86 120.51 116.19 1sdd n ALA 1853Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1sdd n ALA 1853Cb 0.23 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1sdd n ALA 1853CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdd n GLY 1854N 0.99 1.27 3.31 0.00 0.00 -0.58 -4.41 105.19 105.75 1sdd n GLY 1854Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1sdd n GLY 1854CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1sdd n MET 1855N 0.00 1.52 -3.51 1.61 0.00 0.53 -1.09 117.12 116.18 1sdd n MET 1855Ca 0.00 -2.09 -0.11 0.00 0.00 0.00 0.00 57.70 55.50 1sdd n MET 1855Cb 0.00 -3.24 -0.03 0.00 0.00 0.00 0.00 33.22 29.95 1sdd n MET 1855CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 1sdd s GLN 1856N 5.64 0.86 -0.14 2.12 -2.07 -1.26 -2.97 119.66 121.84 1sdd s GLN 1856Ca 0.62 -0.13 -0.29 0.00 -1.82 0.00 0.00 55.36 53.75 1sdd s GLN 1856Cb 0.08 0.40 0.08 0.00 -1.09 0.00 0.00 33.01 32.49 1sdd s GLN 1856CO 0.13 -0.34 0.77 -0.08 -1.32 0.00 0.00 175.29 174.46 1sdd s THR 1857N -2.41 0.00 0.58 3.63 -1.32 0.03 -2.64 115.64 113.51 1sdd s THR 1857Ca 0.00 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.36 1sdd s THR 1857Cb -0.01 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.93 1sdd s THR 1857CO -0.04 0.00 1.01 -2.84 -2.21 0.00 0.00 174.62 170.54 1sdd s PRO 1858N -0.65 3.72 -0.04 7.08 0.02 -1.26 -0.94 135.00 142.93 1sdd s PRO 1858Ca -0.05 0.80 -0.02 0.00 0.02 0.00 0.00 61.00 61.74 1sdd s PRO 1858Cb -0.02 -2.11 0.02 0.00 0.02 0.00 0.00 34.50 32.42 1sdd s PRO 1858CO 0.05 -0.45 0.10 -0.59 -0.33 0.00 0.00 177.00 175.77 1sdd s PHE 1859N -2.97 -0.10 -0.13 6.54 -0.12 0.26 -4.74 117.98 116.71 1sdd s PHE 1859Ca 0.56 0.30 -0.13 0.00 -0.05 0.00 0.00 56.93 57.61 1sdd s PHE 1859Cb -0.11 -0.05 -0.05 0.00 -0.63 0.00 0.00 43.02 42.19 1sdd s PHE 1859CO 0.46 -0.09 0.30 -1.17 -0.05 0.00 0.00 175.22 174.66 1sdd s LEU 1860N 0.60 4.29 -0.22 -1.99 2.96 -0.18 -2.24 118.68 121.90 1sdd s LEU 1860Ca -0.05 0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 54.41 1sdd s LEU 1860Cb -0.06 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.25 1sdd s LEU 1860CO -0.02 0.16 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.45 1sdd s ILE 1861N 0.11 2.98 0.39 6.68 1.01 -1.02 -1.36 121.20 130.00 1sdd s ILE 1861Ca 0.17 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 1sdd s ILE 1861Cb -0.13 -2.37 -0.07 0.00 0.01 0.00 0.00 42.46 39.90 1sdd s ILE 1861CO 0.05 0.40 0.77 -0.69 0.00 0.00 0.00 174.94 175.47 1sdd s VAL 1862N 1.41 4.76 0.50 2.92 1.01 0.79 -2.01 120.40 129.79 1sdd s VAL 1862Ca 0.05 0.69 -0.23 0.00 0.00 0.00 0.00 61.98 62.48 1sdd s VAL 1862Cb -0.14 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 1sdd s VAL 1862CO -0.06 -0.46 1.38 0.47 0.00 0.00 0.00 175.10 176.43 1sdd n ASP 1863N -1.13 2.93 -0.30 3.32 8.00 -1.26 -0.96 116.55 127.15 1sdd n ASP 1863Ca 0.03 1.04 0.00 0.00 0.71 0.00 0.00 54.79 56.57 1sdd n ASP 1863Cb 0.54 -1.58 0.13 0.00 -0.02 0.00 0.00 41.12 40.19 1sdd n ASP 1863CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1sdd h ARG 1864N 1.81 0.92 -2.23 -1.24 2.43 -1.94 -3.11 114.38 111.03 1sdd h ARG 1864Ca -0.51 -0.06 -0.71 0.00 -0.81 0.00 0.00 59.98 57.90 1sdd h ARG 1864Cb 1.29 -0.21 -0.34 0.00 -0.42 0.00 0.00 29.97 30.29 1sdd h ARG 1864CO 0.59 0.61 0.26 0.39 -1.51 0.00 0.00 179.97 180.31 1sdd n GLU 1865N -4.63 4.34 -3.15 0.20 1.02 -1.26 -4.93 120.64 112.23 1sdd n GLU 1865Ca 0.12 -4.71 -0.45 0.00 -0.02 0.00 0.00 57.16 52.10 1sdd n GLU 1865Cb 0.16 -2.36 -0.05 0.00 -0.02 0.00 0.00 31.44 29.18 1sdd n GLU 1865CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sdd n LYS 1867N 6.13 0.06 -3.25 0.00 4.81 -1.05 -4.67 118.16 120.20 1sdd n LYS 1867Ca -0.10 -0.19 -0.33 0.00 -0.87 0.00 0.00 58.31 56.82 1sdd n LYS 1867Cb 0.42 0.40 -0.06 0.00 0.02 0.00 0.00 35.03 35.81 1sdd n LYS 1867CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sdd s MET 1868N 0.01 3.98 -0.03 1.64 0.23 -0.69 -4.45 119.30 119.98 1sdd s MET 1868Ca 0.00 0.55 -0.37 0.00 -1.03 0.00 0.00 55.69 54.85 1sdd s MET 1868Cb 0.02 -2.65 -0.15 0.00 -1.53 0.00 0.00 34.83 30.52 1sdd s MET 1868CO -0.01 0.30 1.60 -2.30 -2.03 0.00 0.00 175.02 172.58 1sdd n PRO 1869N 0.07 1.52 0.10 3.16 -0.02 -1.26 -1.70 135.00 136.87 1sdd n PRO 1869Ca 0.00 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.15 1sdd n PRO 1869Cb 0.52 -2.27 0.45 0.00 -0.02 0.00 0.00 33.50 32.19 1sdd n PRO 1869CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1sdd n MET 1870N 4.22 0.17 0.00 -0.52 1.56 -0.26 -4.89 117.12 117.40 1sdd n MET 1870Ca 0.21 0.33 0.00 0.00 -0.27 0.00 0.00 57.70 57.97 1sdd n MET 1870Cb 0.21 -1.78 0.00 0.00 2.15 0.00 0.00 33.22 33.80 1sdd n MET 1870CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1sdd n GLY 1871N 0.35 0.63 0.25 -5.12 0.00 -1.26 -4.53 105.19 95.50 1sdd n GLY 1871Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1sdd n GLY 1871CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sdd h LEU 1872N 0.00 0.93 -0.66 0.99 3.38 -1.87 0.27 115.31 118.35 1sdd h LEU 1872Ca 0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1sdd h LEU 1872Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1sdd h LEU 1872CO 0.00 1.28 -0.21 -1.54 0.09 0.00 0.00 178.44 178.06 1sdd n SER 1873N -4.00 1.24 -0.02 -0.43 3.41 -1.26 -4.14 113.62 108.41 1sdd n SER 1873Ca -0.04 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 1sdd n SER 1873Cb 0.62 0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1sdd n SER 1873CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1sdd n THR 1874N -0.39 0.00 0.00 6.66 -2.24 -1.24 -4.94 114.28 112.13 1sdd n THR 1874Ca 0.13 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1sdd n THR 1874Cb 0.36 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1sdd n THR 1874CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sdd n GLY 1875N 0.55 0.68 0.30 3.38 0.00 -1.06 -0.48 105.19 108.55 1sdd n GLY 1875Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1sdd n GLY 1875CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sdd h LEU 1876N 0.00 0.51 -8.83 0.99 3.38 -1.59 -3.38 115.31 106.39 1sdd h LEU 1876Ca 0.00 -0.03 -0.64 0.00 0.09 0.00 0.00 57.88 57.30 1sdd h LEU 1876Cb 0.00 -0.13 -0.15 0.00 0.09 0.00 0.00 40.66 40.47 1sdd h LEU 1876CO 0.00 0.42 -0.14 -0.63 0.09 0.00 0.00 178.44 178.18 1sdd s ILE 1877N -5.41 5.09 0.58 1.22 1.01 0.03 -4.98 121.20 118.74 1sdd s ILE 1877Ca -0.08 0.41 -0.17 0.00 0.00 0.00 0.00 60.65 60.81 1sdd s ILE 1877Cb 0.17 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1sdd s ILE 1877CO 0.74 -0.06 1.07 0.00 0.00 0.00 0.00 174.94 176.69 1sdd s ALA 1878N 2.23 2.71 0.46 9.38 0.00 -1.26 -4.78 121.76 130.50 1sdd s ALA 1878Ca 0.17 0.49 0.22 0.00 0.00 0.00 0.00 51.96 52.84 1sdd s ALA 1878Cb -0.16 -3.26 1.21 0.00 0.00 0.00 0.00 23.12 20.91 1sdd s ALA 1878CO 0.12 -0.80 1.89 -0.44 0.00 0.00 0.00 175.76 176.52 1sdd h ASP 1879N 0.62 0.26 -0.70 0.00 5.19 -1.93 0.71 116.42 120.57 1sdd h ASP 1879Ca -0.48 0.03 0.07 0.00 -0.62 0.00 0.00 57.03 56.03 1sdd h ASP 1879Cb 1.23 -0.02 -0.06 0.00 0.18 0.00 0.00 39.33 40.65 1sdd h ASP 1879CO 0.57 0.11 0.39 0.28 -3.12 0.00 0.00 179.24 177.47 1sdd h SER 1880N 0.26 0.56 0.64 6.45 0.02 -1.99 -2.35 113.55 117.14 1sdd h SER 1880Ca 0.42 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1sdd h SER 1880Cb 1.24 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1sdd h SER 1880CO -0.11 0.35 0.00 0.00 -1.14 0.00 0.00 176.83 175.93 1sdd n GLN 1881N -4.79 0.10 -3.71 3.45 6.02 0.24 -4.70 117.38 113.99 1sdd n GLN 1881Ca 0.10 0.33 -0.35 0.00 -0.01 0.00 0.00 57.00 57.06 1sdd n GLN 1881Cb 0.20 -1.68 -0.05 0.00 1.02 0.00 0.00 30.24 29.73 1sdd n GLN 1881CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sdd s ILE 1882N -3.15 5.26 -0.28 5.09 1.01 -0.89 -2.08 121.20 126.15 1sdd s ILE 1882Ca 0.06 0.27 -0.24 0.00 0.00 0.00 0.00 60.65 60.75 1sdd s ILE 1882Cb 0.10 -3.58 0.11 0.00 0.01 0.00 0.00 42.46 39.09 1sdd s ILE 1882CO 0.34 0.38 0.92 -1.58 0.00 0.00 0.00 174.94 175.00 1sdd s GLN 1883N -1.69 0.60 0.44 2.79 0.74 -0.72 -4.82 119.66 117.00 1sdd s GLN 1883Ca 0.27 0.76 0.03 0.00 0.05 0.00 0.00 55.36 56.48 1sdd s GLN 1883Cb -0.13 0.27 -0.03 0.00 1.10 0.00 0.00 33.01 34.21 1sdd s GLN 1883CO 0.15 -0.08 0.05 0.00 -0.55 0.00 0.00 175.29 174.87 1sdd s ALA 1884N 0.47 3.34 -0.67 1.58 0.00 -1.26 1.00 121.76 126.21 1sdd s ALA 1884Ca 0.00 -1.19 0.23 0.00 0.00 0.00 0.00 51.96 51.01 1sdd s ALA 1884Cb -0.05 0.37 0.09 0.00 0.00 0.00 0.00 23.12 23.53 1sdd s ALA 1884CO -0.06 -0.18 1.07 -1.13 0.00 0.00 0.00 175.76 175.46 1sdd n SER 1885N -1.15 0.63 0.00 0.00 3.41 -0.98 -4.97 113.62 110.56 1sdd n SER 1885Ca -0.10 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1sdd n SER 1885Cb 0.66 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1sdd n SER 1885CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1sdd n GLU 1886N -1.90 0.00 -3.67 4.33 0.28 -1.26 -5.01 120.64 113.42 1sdd n GLU 1886Ca 0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.90 1sdd n GLU 1886Cb 0.42 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.21 1sdd n GLU 1886CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1sdd s PHE 1887N -2.00 -0.73 -0.39 -1.84 -0.71 -1.26 -4.77 117.98 106.28 1sdd s PHE 1887Ca 0.00 1.67 -0.28 0.00 -1.04 0.00 0.00 56.93 57.28 1sdd s PHE 1887Cb 0.00 0.31 -0.01 0.00 -1.21 0.00 0.00 43.02 42.11 1sdd s PHE 1887CO 0.00 -0.36 1.65 -0.46 -1.34 0.00 0.00 175.22 174.70 1sdd s TRP 1888N 0.71 2.03 0.00 3.49 -0.00 0.22 -4.74 118.94 120.65 1sdd s TRP 1888Ca -0.03 0.64 0.00 0.00 -0.00 0.00 0.00 56.10 56.71 1sdd s TRP 1888Cb -0.05 -4.21 0.00 0.00 -0.00 0.00 0.00 33.47 29.22 1sdd s TRP 1888CO -0.05 -2.52 0.00 0.41 -0.00 0.00 0.00 176.95 174.79 1sdd n GLY 1889N 5.31 0.00 2.18 5.86 0.00 -1.26 -1.79 105.19 115.49 1sdd n GLY 1889Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1sdd n GLY 1889CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1sdd n TYR 1890N 0.07 0.00 -2.38 1.61 9.36 -1.26 -4.93 117.16 119.62 1sdd n TYR 1890Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 1sdd n TYR 1890Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1sdd n TYR 1890CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1sdd n TRP 1891N -2.00 2.72 -2.29 2.98 7.02 -0.74 -4.96 117.44 120.17 1sdd n TRP 1891Ca 0.00 -2.74 -0.38 0.00 -1.02 0.00 0.00 57.50 53.36 1sdd n TRP 1891Cb 0.00 -1.77 -0.02 0.00 -2.42 0.00 0.00 31.31 27.10 1sdd n TRP 1891CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1sdd s GLU 1892N -0.73 4.02 0.34 -0.99 2.02 -1.26 -3.07 118.70 119.03 1sdd s GLU 1892Ca 0.41 1.83 0.12 0.00 0.02 0.00 0.00 54.97 57.35 1sdd s GLU 1892Cb 0.11 -2.64 0.93 0.00 0.10 0.00 0.00 34.13 32.63 1sdd s GLU 1892CO -0.01 -0.34 1.75 -1.35 0.02 0.00 0.00 175.26 175.33 1sdd h PRO 1893N 2.57 0.53 0.00 0.39 0.11 -1.93 0.84 132.00 134.51 1sdd h PRO 1893Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1sdd h PRO 1893Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1sdd h PRO 1893CO 0.62 0.35 0.11 1.63 -0.21 0.00 0.00 178.00 180.50 1sdd n LYS 1894N -4.79 0.00 0.05 1.05 4.01 -1.26 -1.12 118.16 116.10 1sdd n LYS 1894Ca 0.26 0.37 0.11 0.00 -0.51 0.00 0.00 58.31 58.55 1sdd n LYS 1894Cb 0.76 -1.61 -0.06 0.00 -0.51 0.00 0.00 35.03 33.61 1sdd n LYS 1894CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1sdd n LEU 1895N -1.37 0.51 -2.94 -0.35 4.32 0.29 -4.74 117.00 112.72 1sdd n LEU 1895Ca 0.00 0.17 -0.06 0.00 -0.02 0.00 0.00 56.01 56.10 1sdd n LEU 1895Cb 0.11 -0.04 -0.01 0.00 -1.62 0.00 0.00 43.42 41.86 1sdd n LEU 1895CO 0.00 -0.09 1.31 0.00 -1.22 0.00 0.00 177.39 177.39 1sdd n ALA 1896N -2.17 2.16 -3.61 -1.18 0.00 -0.28 -3.89 120.51 111.53 1sdd n ALA 1896Ca -0.01 -0.59 -0.34 0.00 0.00 0.00 0.00 53.44 52.50 1sdd n ALA 1896Cb 0.55 -2.59 -0.15 0.00 0.00 0.00 0.00 19.45 17.25 1sdd n ALA 1896CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sdd s ARG 1897N 4.17 3.21 -0.18 0.00 0.52 -1.26 -1.98 118.95 123.42 1sdd s ARG 1897Ca 0.13 -0.74 -0.42 0.00 -0.52 0.00 0.00 55.73 54.18 1sdd s ARG 1897Cb 0.04 -2.71 -0.19 0.00 0.52 0.00 0.00 34.95 32.61 1sdd s ARG 1897CO -0.01 -0.08 1.32 -0.11 0.02 0.00 0.00 175.30 176.44 1sdd n LEU 1898N 4.36 0.71 0.00 2.53 -0.00 -0.98 -1.01 117.00 122.60 1sdd n LEU 1898Ca -0.19 1.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.98 1sdd n LEU 1898Cb 0.51 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 1sdd n LEU 1898CO 0.28 -1.37 0.00 0.59 -0.00 0.00 0.00 177.39 176.89 1sdd n ASN 1899N 2.70 0.00 -4.72 1.96 3.02 -1.26 -4.73 115.26 112.23 1sdd n ASN 1899Ca 0.24 0.00 -0.64 0.00 -0.03 0.00 0.00 54.58 54.15 1sdd n ASN 1899Cb 0.04 -0.03 -0.09 0.00 -0.61 0.00 0.00 39.78 39.10 1sdd n ASN 1899CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1sdd n ASN 1900N 0.57 1.49 -4.77 6.41 2.85 -0.18 -4.90 115.26 116.72 1sdd n ASN 1900Ca 0.00 1.15 -0.23 0.00 -0.11 0.00 0.00 54.58 55.39 1sdd n ASN 1900Cb 0.00 -0.96 -0.05 0.00 1.24 0.00 0.00 39.78 40.01 1sdd n ASN 1900CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1sdd s GLY 1901N 2.95 1.55 0.00 8.20 0.00 -1.26 -4.78 107.32 113.97 1sdd s GLY 1901Ca 1.02 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1sdd s GLY 1901CO 0.75 -1.44 0.00 0.61 0.00 0.00 0.00 173.10 173.02 1sdd n GLY 1902N -0.85 0.13 0.22 0.20 0.00 -1.26 -4.83 105.19 98.80 1sdd n GLY 1902Ca -0.08 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 1sdd n GLY 1902CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1sdd h SER 1903N 0.00 0.65 -3.84 1.61 0.87 -1.94 -3.33 113.55 107.58 1sdd h SER 1903Ca 0.00 -0.19 -0.66 0.00 -1.23 0.00 0.00 61.79 59.71 1sdd h SER 1903Cb 0.00 -0.17 -0.40 0.00 -0.44 0.00 0.00 62.40 61.39 1sdd h SER 1903CO 0.00 0.67 -0.70 -0.31 -0.53 0.00 0.00 176.83 175.96 1sdd s TYR 1904N -5.45 3.64 -0.11 2.24 1.51 -1.26 -4.82 117.35 113.11 1sdd s TYR 1904Ca -0.13 -3.04 0.16 0.00 -1.01 0.00 0.00 57.07 53.05 1sdd s TYR 1904Cb 0.11 -2.91 0.37 0.00 -0.11 0.00 0.00 41.96 39.42 1sdd s TYR 1904CO 0.77 -0.91 1.17 0.27 -1.11 0.00 0.00 175.55 175.75 1sdd n ASN 1905N 4.01 1.39 -3.61 2.29 2.04 -1.25 -5.02 115.26 115.10 1sdd n ASN 1905Ca 0.04 -2.98 -0.07 0.00 -0.44 0.00 0.00 54.58 51.14 1sdd n ASN 1905Cb 0.40 -0.41 -0.02 0.00 -2.53 0.00 0.00 39.78 37.22 1sdd n ASN 1905CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1sdd s ALA 1906N -1.79 -1.71 -0.10 -2.53 0.00 -1.25 -4.58 121.76 109.79 1sdd s ALA 1906Ca 0.32 0.56 -0.21 0.00 0.00 0.00 0.00 51.96 52.63 1sdd s ALA 1906Cb 0.33 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1sdd s ALA 1906CO -0.08 -0.85 0.58 -0.46 0.00 0.00 0.00 175.76 174.95 1sdd s TRP 1907N -3.28 3.53 -0.01 0.00 -0.00 -0.81 -4.22 118.94 114.14 1sdd s TRP 1907Ca 0.08 1.05 0.03 0.00 -0.00 0.00 0.00 56.10 57.26 1sdd s TRP 1907Cb -0.01 -2.68 -0.01 0.00 -0.00 0.00 0.00 33.47 30.77 1sdd s TRP 1907CO -0.04 0.11 -0.11 0.42 -0.00 0.00 0.00 176.95 177.33 1sdd s ILE 1908N 0.79 0.88 -0.08 5.86 1.01 -1.18 -0.44 121.20 128.04 1sdd s ILE 1908Ca 0.31 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 1sdd s ILE 1908Cb -0.16 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 1sdd s ILE 1908CO 0.14 0.25 -0.03 0.00 0.00 0.00 0.00 174.94 175.30 1sdd s ALA 1909N -0.16 3.13 0.52 9.38 0.00 -1.15 -0.61 121.76 132.88 1sdd s ALA 1909Ca 0.03 -0.84 0.22 0.00 0.00 0.00 0.00 51.96 51.36 1sdd s ALA 1909Cb -0.05 -1.38 1.46 0.00 0.00 0.00 0.00 23.12 23.15 1sdd s ALA 1909CO -0.00 0.55 2.16 1.49 0.00 0.00 0.00 175.76 179.96 1sdd h GLU 1910N 5.32 0.00 -2.97 0.00 4.81 -1.91 -3.38 114.58 116.46 1sdd h GLU 1910Ca -0.48 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.61 1sdd h GLU 1910Cb 1.18 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.33 1sdd h GLU 1910CO 0.54 0.04 -0.31 -1.59 -0.73 0.00 0.00 179.01 176.96 1sdd s LYS 1911N -4.74 0.48 -0.37 1.92 0.00 -1.26 -4.98 119.74 110.79 1sdd s LYS 1911Ca -0.05 0.25 0.06 0.00 0.00 0.00 0.00 55.97 56.23 1sdd s LYS 1911Cb 0.16 0.22 0.57 0.00 0.00 0.00 0.00 37.83 38.78 1sdd s LYS 1911CO 0.62 -0.09 1.66 1.47 0.00 0.00 0.00 175.35 179.01 1sdd n LEU 1912N 2.37 5.33 0.00 2.77 -0.00 -1.26 -4.73 117.00 121.48 1sdd n LEU 1912Ca -0.16 -3.77 0.00 0.00 -0.00 0.00 0.00 56.01 52.08 1sdd n LEU 1912Cb 0.57 -0.72 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 1sdd n LEU 1912CO 0.17 1.22 0.34 -0.24 -0.00 0.00 0.00 177.39 178.88 1sdd n SER 1913N -1.12 0.00 -4.54 1.45 2.88 -1.26 -4.58 113.62 106.45 1sdd n SER 1913Ca 0.45 0.09 -0.37 0.00 -1.33 0.00 0.00 58.87 57.71 1sdd n SER 1913Cb 1.27 -0.09 -0.05 0.00 -0.75 0.00 0.00 64.21 64.60 1sdd n SER 1913CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1sdd n THR 1914N -0.95 -0.05 0.00 2.46 5.66 -1.26 -4.83 114.28 115.30 1sdd n THR 1914Ca 0.00 -0.65 0.00 0.00 -3.05 0.00 0.00 64.05 60.35 1sdd n THR 1914Cb 0.23 -2.39 0.00 0.00 -1.55 0.00 0.00 70.33 66.62 1sdd n THR 1914CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1sdd n GLU 1915N 8.90 0.00 0.00 1.09 0.28 -1.26 -4.77 120.64 124.88 1sdd n GLU 1915Ca 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.42 1sdd n GLU 1915Cb 0.45 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.32 1sdd n GLU 1915CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1sdd n PHE 1916N 0.00 0.00 -4.27 -1.84 0.99 -1.26 -4.51 117.46 106.58 1sdd n PHE 1916Ca 0.00 -0.08 -0.17 0.00 -0.00 0.00 0.00 57.45 57.20 1sdd n PHE 1916Cb 0.00 -0.10 -0.14 0.00 -1.00 0.00 0.00 39.48 38.24 1sdd n PHE 1916CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1sdd s ASN 1917N 0.01 0.97 -0.27 4.37 2.47 -1.26 -5.05 114.94 116.18 1sdd s ASN 1917Ca 0.00 -0.23 0.10 0.00 0.42 0.00 0.00 52.86 53.15 1sdd s ASN 1917Cb 0.00 -0.08 0.49 0.00 -1.45 0.00 0.00 41.25 40.21 1sdd s ASN 1917CO 0.00 0.05 1.43 -0.81 -3.72 0.00 0.00 177.10 174.04 1sdd n PRO 1918N 2.58 1.87 0.17 0.43 -0.04 -1.26 -4.43 135.00 134.32 1sdd n PRO 1918Ca -0.15 -3.16 -0.16 0.00 -0.04 0.00 0.00 63.50 59.98 1sdd n PRO 1918Cb 0.57 -1.79 -0.09 0.00 -0.04 0.00 0.00 33.50 32.14 1sdd n PRO 1918CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1sdd h GLU 1919N 1.03 -0.78 -6.15 0.54 4.57 -1.95 -3.37 114.58 108.46 1sdd h GLU 1919Ca 0.18 0.05 -0.57 0.00 -1.18 0.00 0.00 59.36 57.84 1sdd h GLU 1919Cb 1.55 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 30.32 1sdd h GLU 1919CO 0.32 -0.52 1.35 -2.14 -1.18 0.00 0.00 179.01 176.84 1sdd s PRO 1920N -5.66 3.51 0.05 0.92 0.02 -1.26 -4.68 135.00 127.90 1sdd s PRO 1920Ca -0.16 2.07 -0.21 0.00 0.02 0.00 0.00 61.00 62.72 1sdd s PRO 1920Cb 0.05 -4.25 0.05 0.00 0.02 0.00 0.00 34.50 30.36 1sdd s PRO 1920CO 0.57 -1.66 0.48 1.67 -0.33 0.00 0.00 177.00 177.73 1sdd s TRP 1921N 6.72 -0.36 -0.06 6.54 -2.14 -1.26 -4.04 118.94 124.33 1sdd s TRP 1921Ca 0.91 0.37 0.05 0.00 2.66 0.00 0.00 56.10 60.09 1sdd s TRP 1921Cb -0.33 0.30 -0.01 0.00 -3.10 0.00 0.00 33.47 30.32 1sdd s TRP 1921CO 0.36 -0.62 -0.23 -1.50 -2.66 0.00 0.00 176.95 172.29 1sdd s ILE 1922N -2.50 2.21 -0.12 0.66 2.07 0.13 -2.33 121.20 121.32 1sdd s ILE 1922Ca -0.05 -1.01 0.01 0.00 -1.41 0.00 0.00 60.65 58.19 1sdd s ILE 1922Cb -0.01 -1.82 -0.01 0.00 0.13 0.00 0.00 42.46 40.75 1sdd s ILE 1922CO -0.02 0.57 -0.15 -1.58 -1.91 0.00 0.00 174.94 171.85 1sdd s GLN 1923N -0.16 3.24 -0.13 3.50 0.74 0.28 -0.92 119.66 126.21 1sdd s GLN 1923Ca -0.03 -0.71 -0.00 0.00 0.05 0.00 0.00 55.36 54.66 1sdd s GLN 1923Cb -0.14 -2.56 -0.01 0.00 1.10 0.00 0.00 33.01 31.40 1sdd s GLN 1923CO 0.04 0.25 -0.13 0.08 -0.55 0.00 0.00 175.29 174.98 1sdd s VAL 1924N 0.23 3.03 -0.35 1.34 1.01 -0.10 -1.75 120.40 123.80 1sdd s VAL 1924Ca -0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1sdd s VAL 1924Cb -0.16 -2.27 0.08 0.00 0.00 0.00 0.00 36.38 34.03 1sdd s VAL 1924CO 0.06 0.52 0.09 -0.62 0.00 0.00 0.00 175.10 175.14 1sdd s ASP 1925N 0.41 5.01 0.00 3.32 2.15 -0.88 -0.93 116.67 125.74 1sdd s ASP 1925Ca -0.10 -1.73 0.09 0.00 0.43 0.00 0.00 52.55 51.23 1sdd s ASP 1925Cb -0.16 -1.74 0.46 0.00 -0.30 0.00 0.00 42.92 41.18 1sdd s ASP 1925CO 0.05 -0.39 1.12 0.23 -0.17 0.00 0.00 175.17 176.01 1sdd n MET 1926N 4.54 0.16 0.00 4.34 2.81 0.15 -4.79 117.12 124.32 1sdd n MET 1926Ca -0.06 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1sdd n MET 1926Cb 0.42 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 1sdd n MET 1926CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1sdd n GLN 1927N -1.23 0.00 -3.67 0.03 6.02 -1.26 -4.80 117.38 112.47 1sdd n GLN 1927Ca 0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.94 1sdd n GLN 1927Cb 0.06 -2.76 -0.03 0.00 1.02 0.00 0.00 30.24 28.53 1sdd n GLN 1927CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1sdd s LYS 1928N 0.00 1.33 0.30 -1.09 2.20 -1.26 -5.13 119.74 116.09 1sdd s LYS 1928Ca 0.00 -0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 54.55 1sdd s LYS 1928Cb 0.00 0.53 -0.09 0.00 -1.51 0.00 0.00 37.83 36.76 1sdd s LYS 1928CO 0.00 -0.57 1.10 -1.21 -0.36 0.00 0.00 175.35 174.31 1sdd s GLU 1929N -3.84 4.58 0.27 4.03 2.02 -1.26 -4.36 118.70 120.14 1sdd s GLU 1929Ca 0.07 1.77 -0.01 0.00 0.02 0.00 0.00 54.97 56.82 1sdd s GLU 1929Cb -0.01 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 1sdd s GLU 1929CO -0.06 0.16 0.30 0.14 0.02 0.00 0.00 175.26 175.82 1sdd s VAL 1930N -1.22 0.00 -0.25 2.63 -7.23 0.03 -4.64 120.40 109.72 1sdd s VAL 1930Ca 0.46 -1.82 -0.09 0.00 -1.81 0.00 0.00 61.98 58.72 1sdd s VAL 1930Cb -0.31 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 1sdd s VAL 1930CO 0.40 0.00 0.13 -0.76 -0.31 0.00 0.00 175.10 174.56 1sdd s LEU 1931N -3.21 3.82 -0.28 1.32 1.43 -0.32 -1.67 118.68 119.77 1sdd s LEU 1931Ca 0.35 -0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.31 1sdd s LEU 1931Cb 0.03 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1sdd s LEU 1931CO 0.17 0.00 0.15 -0.22 0.23 0.00 0.00 176.35 176.69 1sdd s LEU 1932N 1.42 3.91 0.00 1.79 2.96 -0.53 -1.75 118.68 126.48 1sdd s LEU 1932Ca 0.06 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1sdd s LEU 1932Cb -0.15 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.50 1sdd s LEU 1932CO 0.06 -0.09 0.69 0.35 -1.32 0.00 0.00 176.35 176.04 1sdd n THR 1933N 5.01 0.44 -3.60 3.68 -2.24 0.79 -2.76 114.28 115.59 1sdd n THR 1933Ca -0.14 -0.65 -0.05 0.00 -2.27 0.00 0.00 64.05 60.94 1sdd n THR 1933Cb 0.51 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.57 1sdd n THR 1933CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sdd s GLY 1934N -0.44 -0.27 -0.02 3.38 0.00 -1.06 -2.66 107.32 106.25 1sdd s GLY 1934Ca 0.00 1.70 -0.01 0.00 0.00 0.00 0.00 44.72 46.41 1sdd s GLY 1934CO 0.00 0.59 0.03 -1.50 0.00 0.00 0.00 173.10 172.22 1sdd s ILE 1935N -2.27 -0.02 -0.07 0.90 2.07 0.31 -0.31 121.20 121.80 1sdd s ILE 1935Ca 0.09 0.08 0.05 0.00 -1.41 0.00 0.00 60.65 59.46 1sdd s ILE 1935Cb -0.01 -0.06 -0.01 0.00 0.13 0.00 0.00 42.46 42.51 1sdd s ILE 1935CO -0.05 0.03 -0.24 -1.10 -1.91 0.00 0.00 174.94 171.67 1sdd s GLN 1936N 0.41 2.66 0.20 3.50 -0.21 0.39 -1.34 119.66 125.26 1sdd s GLN 1936Ca -0.03 -0.88 0.08 0.00 0.02 0.00 0.00 55.36 54.55 1sdd s GLN 1936Cb -0.05 -2.17 -0.05 0.00 1.00 0.00 0.00 33.01 31.75 1sdd s GLN 1936CO -0.01 0.31 -0.15 0.95 -2.12 0.00 0.00 175.29 174.27 1sdd s THR 1937N 0.00 1.78 0.15 -0.19 -4.23 -0.89 -0.62 115.64 111.65 1sdd s THR 1937Ca -0.08 -2.15 -0.10 0.00 -1.18 0.00 0.00 61.69 58.18 1sdd s THR 1937Cb -0.15 -2.00 -0.00 0.00 1.34 0.00 0.00 72.50 71.69 1sdd s THR 1937CO 0.05 -0.53 0.30 -1.10 -0.54 0.00 0.00 174.62 172.81 1sdd s GLN 1938N -3.44 1.12 0.00 3.99 -0.21 0.20 -1.72 119.66 119.60 1sdd s GLN 1938Ca 0.21 -1.08 0.00 0.00 0.02 0.00 0.00 55.36 54.51 1sdd s GLN 1938Cb -0.02 0.39 0.00 0.00 1.00 0.00 0.00 33.01 34.38 1sdd s GLN 1938CO 0.07 -0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.24 1sdd n GLY 1939N -0.20 3.07 3.24 3.09 0.00 -1.23 -0.77 105.19 112.39 1sdd n GLY 1939Ca -0.09 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.74 1sdd n GLY 1939CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdd s ALA 1940N -2.00 1.42 -0.19 4.61 0.00 -0.27 -4.56 121.76 120.77 1sdd s ALA 1940Ca 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.15 1sdd s ALA 1940Cb 0.00 1.30 0.09 0.00 0.00 0.00 0.00 23.12 24.51 1sdd s ALA 1940CO 0.00 -0.56 0.20 0.21 0.00 0.00 0.00 175.76 175.61 1sdd s LYS 1941N -4.04 0.16 0.00 0.00 2.20 -1.26 -1.38 119.74 115.42 1sdd s LYS 1941Ca 0.39 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1sdd s LYS 1941Cb 0.07 -1.25 0.00 0.00 -1.51 0.00 0.00 37.83 35.13 1sdd s LYS 1941CO 0.14 -0.64 0.86 1.58 -0.36 0.00 0.00 175.35 176.94 1sdd n HIS 1942N 5.31 0.00 0.00 4.03 -0.00 -1.13 -4.83 115.22 118.60 1sdd n HIS 1942Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 1sdd n HIS 1942Cb 0.49 -0.36 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 1sdd n HIS 1942CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1sdd n TYR 1943N -1.91 -0.04 0.00 1.57 4.02 -1.26 -4.93 117.16 114.61 1sdd n TYR 1943Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1sdd n TYR 1943Cb 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 1sdd n TYR 1943CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1sdd n LEU 1944N -2.52 0.00 -4.58 7.72 4.77 -1.26 -4.98 117.00 116.15 1sdd n LEU 1944Ca 0.00 -0.42 -0.43 0.00 -0.03 0.00 0.00 56.01 55.14 1sdd n LEU 1944Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1sdd n LEU 1944CO 0.00 0.00 0.70 -0.75 -1.33 0.00 0.00 177.39 176.01 1sdd s LYS 1945N -1.08 3.68 0.58 3.23 2.20 -1.26 -5.03 119.74 122.05 1sdd s LYS 1945Ca 0.00 0.31 -0.18 0.00 -0.36 0.00 0.00 55.97 55.75 1sdd s LYS 1945Cb 0.00 -3.86 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 1sdd s LYS 1945CO 0.00 -1.04 1.10 -2.14 -0.36 0.00 0.00 175.35 172.91 1sdd s PRO 1946N 3.47 3.25 -0.05 4.03 0.02 -1.26 -2.84 135.00 141.62 1sdd s PRO 1946Ca 0.35 1.45 -0.02 0.00 0.02 0.00 0.00 61.00 62.80 1sdd s PRO 1946Cb -0.12 -2.01 0.03 0.00 0.02 0.00 0.00 34.50 32.43 1sdd s PRO 1946CO 0.21 -0.90 0.11 0.71 -0.33 0.00 0.00 177.00 176.80 1sdd s TYR 1947N -2.07 -0.11 -0.08 6.54 1.51 -0.48 -4.79 117.35 117.87 1sdd s TYR 1947Ca 0.69 0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 56.80 1sdd s TYR 1947Cb -0.21 -0.11 0.12 0.00 -0.11 0.00 0.00 41.96 41.66 1sdd s TYR 1947CO 0.32 -0.13 1.01 1.52 -1.11 0.00 0.00 175.55 177.16 1sdd s TYR 1948N 1.00 -0.27 -0.08 2.71 -0.85 -1.14 -1.12 117.35 117.60 1sdd s TYR 1948Ca -0.08 0.18 -0.18 0.00 -0.52 0.00 0.00 57.07 56.47 1sdd s TYR 1948Cb -0.10 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.72 1sdd s TYR 1948CO -0.04 -0.41 0.48 0.99 -1.52 0.00 0.00 175.55 175.04 1sdd s THR 1949N -2.77 5.12 -1.97 -3.49 2.01 -1.16 -2.13 115.64 111.26 1sdd s THR 1949Ca 0.06 0.97 0.16 0.00 0.31 0.00 0.00 61.69 63.19 1sdd s THR 1949Cb -0.01 -3.81 0.12 0.00 0.01 0.00 0.00 72.50 68.81 1sdd s THR 1949CO -0.07 0.39 1.00 0.35 -0.69 0.00 0.00 174.62 175.59 1sdd n THR 1950N 3.21 0.00 -3.65 -0.82 -2.24 0.82 0.12 114.28 111.72 1sdd n THR 1950Ca -0.08 -0.49 -0.02 0.00 -2.27 0.00 0.00 64.05 61.18 1sdd n THR 1950Cb 0.52 1.33 -0.07 0.00 -2.10 0.00 0.00 70.33 70.00 1sdd n THR 1950CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1sdd s GLU 1951N -1.36 0.04 0.31 -0.78 2.12 -1.13 -1.97 118.70 115.93 1sdd s GLU 1951Ca 0.18 0.04 -0.13 0.00 0.36 0.00 0.00 54.97 55.42 1sdd s GLU 1951Cb 0.13 0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.56 1sdd s GLU 1951CO 0.21 -0.00 0.61 -0.59 -0.54 0.00 0.00 175.26 174.94 1sdd s PHE 1952N -0.04 0.33 0.11 5.30 -0.12 -0.67 0.48 117.98 123.37 1sdd s PHE 1952Ca 0.08 -0.76 0.07 0.00 -0.05 0.00 0.00 56.93 56.27 1sdd s PHE 1952Cb -0.05 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1sdd s PHE 1952CO -0.16 -1.22 -0.18 0.00 -0.05 0.00 0.00 175.22 173.61 1sdd s VAL 1954N -1.45 1.63 0.09 0.00 1.01 -1.26 -2.51 120.40 117.91 1sdd s VAL 1954Ca 0.06 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1sdd s VAL 1954Cb -0.09 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1sdd s VAL 1954CO 0.04 0.42 -0.15 0.00 0.00 0.00 0.00 175.10 175.41 1sdd s ALA 1955N 1.45 2.75 0.10 5.51 0.00 0.01 -0.11 121.76 131.48 1sdd s ALA 1955Ca 0.04 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.75 1sdd s ALA 1955Cb -0.13 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1sdd s ALA 1955CO -0.11 0.60 -0.07 1.52 0.00 0.00 0.00 175.76 177.71 1sdd s TYR 1956N -1.11 0.92 0.07 0.00 1.13 -0.55 0.11 117.35 117.93 1sdd s TYR 1956Ca 0.18 -0.90 -0.23 0.00 -1.41 0.00 0.00 57.07 54.71 1sdd s TYR 1956Cb -0.11 -0.53 0.06 0.00 -1.10 0.00 0.00 41.96 40.28 1sdd s TYR 1956CO 0.10 -0.13 0.55 0.45 -2.51 0.00 0.00 175.55 174.01 1sdd s SER 1957N -3.05 -0.48 -0.16 -0.18 0.15 -0.84 -1.07 113.70 108.07 1sdd s SER 1957Ca 0.12 0.15 0.15 0.00 0.70 0.00 0.00 55.95 57.07 1sdd s SER 1957Cb 0.05 0.53 -0.21 0.00 -1.71 0.00 0.00 66.02 64.67 1sdd s SER 1957CO -0.04 -0.79 0.07 0.18 1.20 0.00 0.00 173.24 173.86 1sdd n LEU 1958N 0.19 0.00 -0.08 3.45 4.77 -1.26 -2.13 117.00 121.94 1sdd n LEU 1958Ca -0.18 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.73 1sdd n LEU 1958Cb 0.62 0.41 -0.13 0.00 -2.33 0.00 0.00 43.42 41.98 1sdd n LEU 1958CO 0.18 0.41 -1.01 -0.90 -1.33 0.00 0.00 177.39 174.73 1sdd n ASP 1959N -2.62 0.95 0.00 -1.43 3.85 -1.26 -4.73 116.55 111.31 1sdd n ASP 1959Ca -0.27 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.81 1sdd n ASP 1959Cb 1.04 0.97 0.00 0.00 -1.35 0.00 0.00 41.12 41.78 1sdd n ASP 1959CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 1sdd n ARG 1960N -2.57 0.00 -0.12 0.11 0.00 -1.26 -4.91 116.66 107.91 1sdd n ARG 1960Ca -0.25 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.35 1sdd n ARG 1960Cb 0.99 -0.16 -0.11 0.00 0.00 0.00 0.00 32.46 33.18 1sdd n ARG 1960CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1sdd n LYS 1961N -2.00 0.61 -3.61 -0.14 4.76 -1.26 -4.88 118.16 111.64 1sdd n LYS 1961Ca 0.00 0.31 -0.40 0.00 -2.87 0.00 0.00 58.31 55.35 1sdd n LYS 1961Cb 0.00 -1.57 -0.11 0.00 -1.84 0.00 0.00 35.03 31.51 1sdd n LYS 1961CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1sdd s ASN 1962N -7.16 5.69 0.28 4.39 -0.87 -1.26 -5.08 114.94 110.93 1sdd s ASN 1962Ca -0.35 -0.83 0.03 0.00 -1.57 0.00 0.00 52.86 50.15 1sdd s ASN 1962Cb 0.11 -2.02 -0.03 0.00 -0.02 0.00 0.00 41.25 39.29 1sdd s ASN 1962CO 0.55 -0.32 0.43 0.26 -2.57 0.00 0.00 177.10 175.45 1sdd s TRP 1963N 1.58 3.47 -0.05 2.20 0.52 -1.26 -4.45 118.94 120.95 1sdd s TRP 1963Ca 0.03 0.13 -0.02 0.00 0.02 0.00 0.00 56.10 56.27 1sdd s TRP 1963Cb -0.18 -1.70 0.03 0.00 -1.15 0.00 0.00 33.47 30.46 1sdd s TRP 1963CO 0.07 0.32 0.04 1.03 0.02 0.00 0.00 176.95 178.42 1sdd s ARG 1964N -4.07 0.16 -0.06 4.98 0.52 -0.23 -4.95 118.95 115.30 1sdd s ARG 1964Ca 0.36 0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 55.55 1sdd s ARG 1964Cb -0.09 -0.65 -0.03 0.00 0.52 0.00 0.00 34.95 34.70 1sdd s ARG 1964CO 0.32 -0.31 1.14 0.42 0.02 0.00 0.00 175.30 176.89 1sdd s ILE 1965N 2.01 4.41 0.43 1.52 1.09 -1.26 -1.48 121.20 127.92 1sdd s ILE 1965Ca 0.04 1.72 -0.25 0.00 -1.10 0.00 0.00 60.65 61.06 1sdd s ILE 1965Cb -0.12 -4.10 -0.08 0.00 -1.06 0.00 0.00 42.46 37.09 1sdd s ILE 1965CO -0.04 0.01 1.25 0.12 -0.10 0.00 0.00 174.94 176.19 1sdd s PHE 1966N 2.04 2.81 0.19 3.97 2.19 0.84 -4.87 117.98 125.15 1sdd s PHE 1966Ca 0.54 1.46 -0.05 0.00 0.33 0.00 0.00 56.93 59.21 1sdd s PHE 1966Cb -0.23 -3.57 -0.03 0.00 -1.31 0.00 0.00 43.02 37.88 1sdd s PHE 1966CO 0.21 -1.92 0.21 0.21 1.83 0.00 0.00 175.22 175.77 1sdd s LYS 1967N -2.43 1.19 0.00 10.12 2.20 -1.26 -1.14 119.74 128.43 1sdd s LYS 1967Ca 0.60 -1.43 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 1sdd s LYS 1967Cb -0.35 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1sdd s LYS 1967CO 0.44 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 1sdd n GLY 1968N -0.24 -0.63 0.39 5.54 0.00 -1.26 -4.01 105.19 104.98 1sdd n GLY 1968Ca -0.02 0.63 -0.11 0.00 0.00 0.00 0.00 46.02 46.52 1sdd n GLY 1968CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1sdd h ASN 1969N 0.00 -1.37 0.00 1.61 2.35 -1.99 -3.46 115.58 112.72 1sdd h ASN 1969Ca 0.00 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1sdd h ASN 1969Cb 0.00 0.58 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1sdd h ASN 1969CO 0.00 -0.39 0.00 -0.24 -1.65 0.00 0.00 177.43 175.15 1sdd n SER 1970N -5.42 0.00 -0.01 5.81 2.88 -1.26 -4.85 113.62 110.77 1sdd n SER 1970Ca -0.02 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.64 1sdd n SER 1970Cb 0.35 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.17 1sdd n SER 1970CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1sdd n THR 1971N 0.00 0.00 -3.23 2.46 -1.04 -1.26 -4.87 114.28 106.35 1sdd n THR 1971Ca 0.00 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 1sdd n THR 1971Cb 0.00 0.06 0.04 0.00 -1.82 0.00 0.00 70.33 68.61 1sdd n THR 1971CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1sdd s ARG 1972N -2.97 2.37 0.56 -2.82 0.52 -1.26 -4.98 118.95 110.38 1sdd s ARG 1972Ca 0.13 -1.66 0.27 0.00 -0.52 0.00 0.00 55.73 53.95 1sdd s ARG 1972Cb 0.18 -2.54 1.50 0.00 0.52 0.00 0.00 34.95 34.61 1sdd s ARG 1972CO 0.65 -0.71 2.00 -0.91 0.02 0.00 0.00 175.30 176.36 1sdd h ASN 1973N 0.39 0.00 -5.32 0.23 -0.26 -1.97 -3.43 115.58 105.22 1sdd h ASN 1973Ca -0.33 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.27 1sdd h ASN 1973Cb 1.29 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 38.41 1sdd h ASN 1973CO 0.45 0.00 -0.50 0.68 -1.06 0.00 0.00 177.43 177.00 1sdd s VAL 1974N -4.79 0.10 -0.02 2.81 -7.23 -1.26 -4.78 120.40 105.24 1sdd s VAL 1974Ca -0.05 -1.63 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 1sdd s VAL 1974Cb 0.17 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1sdd s VAL 1974CO 0.62 -0.47 1.16 -0.32 -0.31 0.00 0.00 175.10 175.78 1sdd s MET 1975N -3.99 4.41 -0.76 4.82 1.75 -0.29 -4.77 119.30 120.48 1sdd s MET 1975Ca 0.18 1.65 -0.03 0.00 -1.25 0.00 0.00 55.69 56.24 1sdd s MET 1975Cb 0.06 -3.48 0.19 0.00 2.84 0.00 0.00 34.83 34.44 1sdd s MET 1975CO -0.01 -0.33 0.61 0.71 -0.65 0.00 0.00 175.02 175.35 1sdd s TYR 1976N 1.68 3.64 0.41 4.11 1.51 -1.26 -4.57 117.35 122.87 1sdd s TYR 1976Ca 0.56 -2.84 -0.26 0.00 -1.01 0.00 0.00 57.07 53.52 1sdd s TYR 1976Cb -0.25 -3.24 -0.10 0.00 -0.11 0.00 0.00 41.96 38.26 1sdd s TYR 1976CO 0.25 -0.79 1.27 1.19 -1.11 0.00 0.00 175.55 176.35 1sdd n PHE 1977N 2.95 2.15 -3.02 2.71 3.01 -0.22 -4.78 117.46 120.26 1sdd n PHE 1977Ca 0.15 0.51 -0.40 0.00 1.01 0.00 0.00 57.45 58.72 1sdd n PHE 1977Cb 0.38 -2.38 -0.05 0.00 -0.01 0.00 0.00 39.48 37.42 1sdd n PHE 1977CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1sdd s GLY 1978N -0.49 2.70 0.00 1.37 0.00 -1.26 -1.66 107.32 107.97 1sdd s GLY 1978Ca 0.60 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1sdd s GLY 1978CO 0.59 1.13 0.00 0.61 0.00 0.00 0.00 173.10 175.43 1sdd n GLY 1979N 2.75 1.41 3.91 0.20 0.00 -0.83 -4.84 105.19 107.79 1sdd n GLY 1979Ca -0.02 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 1sdd n GLY 1979CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sdd s ASN 1980N -1.00 6.29 -0.23 1.61 -0.87 0.33 -4.87 114.94 116.20 1sdd s ASN 1980Ca 0.00 0.92 0.03 0.00 -1.57 0.00 0.00 52.86 52.24 1sdd s ASN 1980Cb 0.00 -2.24 -0.16 0.00 -0.02 0.00 0.00 41.25 38.83 1sdd s ASN 1980CO 0.00 -0.54 -0.18 -1.20 -2.57 0.00 0.00 177.10 172.61 1sdd n SER 1981N -2.13 1.95 -4.48 -1.22 7.64 -1.26 -4.35 113.62 109.77 1sdd n SER 1981Ca 0.00 -0.11 -0.31 0.00 1.01 0.00 0.00 58.87 59.46 1sdd n SER 1981Cb 0.55 -0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.45 1sdd n SER 1981CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1sdd s ASP 1982N -6.20 3.68 0.00 6.43 1.47 -1.26 -5.07 116.67 115.72 1sdd s ASP 1982Ca -0.30 -1.72 0.22 0.00 1.18 0.00 0.00 52.55 51.93 1sdd s ASP 1982Cb 0.08 0.66 0.74 0.00 -0.34 0.00 0.00 42.92 44.05 1sdd s ASP 1982CO 0.57 -0.95 1.55 0.00 0.68 0.00 0.00 175.17 177.02 1sdd n ALA 1983N -1.18 2.51 0.00 2.11 0.00 -1.26 -4.40 120.51 118.30 1sdd n ALA 1983Ca -0.16 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1sdd n ALA 1983Cb 0.66 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1sdd n ALA 1983CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sdd n SER 1984N 0.43 2.79 -4.75 0.00 3.41 -1.26 -3.53 113.62 110.70 1sdd n SER 1984Ca 0.17 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.40 1sdd n SER 1984Cb 0.36 0.17 0.03 0.00 -0.26 0.00 0.00 64.21 64.51 1sdd n SER 1984CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sdd s THR 1985N -1.61 2.43 -0.08 6.66 2.01 -1.26 -4.85 115.64 118.94 1sdd s THR 1985Ca 0.00 0.31 -0.19 0.00 0.31 0.00 0.00 61.69 62.12 1sdd s THR 1985Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1sdd s THR 1985CO 0.00 -0.02 0.53 -0.63 -0.69 0.00 0.00 174.62 173.81 1sdd s ILE 1986N -1.42 5.10 -0.26 1.82 1.01 -1.26 -4.64 121.20 121.54 1sdd s ILE 1986Ca 0.71 1.08 -0.09 0.00 0.00 0.00 0.00 60.65 62.36 1sdd s ILE 1986Cb -0.35 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1sdd s ILE 1986CO 0.41 0.35 0.12 -0.75 0.00 0.00 0.00 174.94 175.07 1sdd s LYS 1987N 0.36 3.75 -0.12 2.79 2.47 -0.70 -4.97 119.74 123.31 1sdd s LYS 1987Ca 0.29 -0.43 -0.16 0.00 -1.56 0.00 0.00 55.97 54.10 1sdd s LYS 1987Cb -0.16 -3.46 -0.04 0.00 -1.46 0.00 0.00 37.83 32.71 1sdd s LYS 1987CO 0.13 -0.19 0.41 -1.83 0.16 0.00 0.00 175.35 174.03 1sdd s GLU 1988N 1.67 4.27 -0.04 4.03 1.03 -1.26 -2.08 118.70 126.31 1sdd s GLU 1988Ca 0.07 0.33 0.00 0.00 0.03 0.00 0.00 54.97 55.40 1sdd s GLU 1988Cb -0.15 -3.41 0.02 0.00 -0.80 0.00 0.00 34.13 29.79 1sdd s GLU 1988CO 0.06 0.23 -0.02 -0.80 -1.33 0.00 0.00 175.26 173.41 1sdd s ASN 1989N 0.41 0.91 0.45 0.83 0.01 -0.45 -5.03 114.94 112.07 1sdd s ASN 1989Ca 0.23 -0.09 -0.04 0.00 -0.71 0.00 0.00 52.86 52.25 1sdd s ASN 1989Cb -0.15 -0.37 -0.03 0.00 0.41 0.00 0.00 41.25 41.11 1sdd s ASN 1989CO 0.08 -0.10 0.73 -1.58 -1.51 0.00 0.00 177.10 174.73 1sdd s GLN 1990N 1.15 3.52 -0.34 -0.60 0.74 -1.26 -0.53 119.66 122.34 1sdd s GLN 1990Ca -0.08 0.06 -0.08 0.00 0.05 0.00 0.00 55.36 55.32 1sdd s GLN 1990Cb -0.14 -2.44 0.03 0.00 1.10 0.00 0.00 33.01 31.56 1sdd s GLN 1990CO -0.01 -0.13 0.13 0.42 -0.55 0.00 0.00 175.29 175.15 1sdd s ILE 1991N -2.64 4.11 0.04 -2.34 1.09 -1.09 -4.86 121.20 115.52 1sdd s ILE 1991Ca 0.46 -0.93 -0.08 0.00 -1.10 0.00 0.00 60.65 59.00 1sdd s ILE 1991Cb -0.10 -3.27 -0.02 0.00 -1.06 0.00 0.00 42.46 38.01 1sdd s ILE 1991CO 0.43 -0.14 0.99 -0.67 -0.10 0.00 0.00 174.94 175.46 1sdd n ASP 1992N 4.89 -0.29 -4.38 3.58 -0.08 -1.26 -4.14 116.55 114.88 1sdd n ASP 1992Ca -0.13 1.06 -0.33 0.00 -1.51 0.00 0.00 54.79 53.88 1sdd n ASP 1992Cb 0.46 -0.35 -0.14 0.00 2.34 0.00 0.00 41.12 43.43 1sdd n ASP 1992CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1sdd s PRO 1993N -3.77 3.36 0.25 -0.67 0.02 -1.26 -5.09 135.00 127.84 1sdd s PRO 1993Ca -0.03 -0.68 -0.29 0.00 0.02 0.00 0.00 61.00 60.02 1sdd s PRO 1993Cb 0.03 -2.63 -0.15 0.00 0.02 0.00 0.00 34.50 31.77 1sdd s PRO 1993CO 0.17 0.23 0.92 -2.30 -0.33 0.00 0.00 177.00 175.68 1sdd n PRO 1994N 3.48 0.98 -4.37 5.54 -0.02 -1.26 -4.99 135.00 134.36 1sdd n PRO 1994Ca -0.18 0.34 -0.26 0.00 -2.02 0.00 0.00 63.50 61.38 1sdd n PRO 1994Cb 0.53 -1.65 -0.12 0.00 -0.02 0.00 0.00 33.50 32.24 1sdd n PRO 1994CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1sdd s VAL 1995N -0.90 2.13 -0.18 -1.45 -7.23 -1.11 -4.97 120.40 106.68 1sdd s VAL 1995Ca 0.62 -1.83 -0.09 0.00 -1.81 0.00 0.00 61.98 58.88 1sdd s VAL 1995Cb -0.79 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1sdd s VAL 1995CO 0.58 -0.06 0.11 -0.69 -0.31 0.00 0.00 175.10 174.73 1sdd s VAL 1996N -1.41 5.22 0.11 1.32 1.01 -1.26 -1.45 120.40 123.94 1sdd s VAL 1996Ca 0.15 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 1sdd s VAL 1996Cb -0.09 -3.35 0.08 0.00 0.00 0.00 0.00 36.38 33.02 1sdd s VAL 1996CO 0.07 0.48 0.67 0.00 0.00 0.00 0.00 175.10 176.32 1sdd s ALA 1997N 0.11 -1.66 -0.00 5.51 0.00 -0.67 -4.78 121.76 120.26 1sdd s ALA 1997Ca 0.08 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1sdd s ALA 1997Cb -0.12 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 1sdd s ALA 1997CO -0.00 -0.73 0.00 -2.13 0.00 0.00 0.00 175.76 172.90 1sdd n ARG 1998N -0.28 1.83 -4.00 0.00 0.63 -0.95 -0.79 116.66 113.10 1sdd n ARG 1998Ca -0.15 -0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.48 1sdd n ARG 1998Cb 0.64 -1.00 -0.16 0.00 0.45 0.00 0.00 32.46 32.38 1sdd n ARG 1998CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1sdd s TYR 1999N -2.00 2.29 -0.15 -0.14 1.51 -0.91 0.29 117.35 118.24 1sdd s TYR 1999Ca -0.00 -1.41 -0.05 0.00 -1.01 0.00 0.00 57.07 54.60 1sdd s TYR 1999Cb 0.00 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1sdd s TYR 1999CO 0.00 -0.71 0.02 0.42 -1.11 0.00 0.00 175.55 174.17 1sdd s ILE 2000N 1.44 4.39 -0.20 2.71 -1.09 -0.11 -1.98 121.20 126.36 1sdd s ILE 2000Ca 0.02 -0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.26 1sdd s ILE 2000Cb -0.15 -2.93 0.04 0.00 -1.58 0.00 0.00 42.46 37.85 1sdd s ILE 2000CO -0.09 0.51 -0.10 -0.60 -1.23 0.00 0.00 174.94 173.42 1sdd s ARG 2001N 0.04 2.02 -0.12 2.79 3.52 0.30 -0.92 118.95 126.59 1sdd s ARG 2001Ca 0.03 -0.86 -0.04 0.00 -0.13 0.00 0.00 55.73 54.73 1sdd s ARG 2001Cb -0.13 -2.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.79 1sdd s ARG 2001CO 0.02 -0.44 0.03 0.42 -0.81 0.00 0.00 175.30 174.52 1sdd s ILE 2002N 1.39 4.58 -0.06 4.11 1.01 -0.10 -0.81 121.20 131.32 1sdd s ILE 2002Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 1sdd s ILE 2002Cb -0.16 -2.97 0.04 0.00 0.01 0.00 0.00 42.46 39.37 1sdd s ILE 2002CO -0.08 0.57 0.10 -0.94 0.00 0.00 0.00 174.94 174.59 1sdd s SER 2003N -0.57 0.84 0.20 3.58 1.04 -1.04 0.17 113.70 117.92 1sdd s SER 2003Ca 0.10 0.19 -0.31 0.00 0.48 0.00 0.00 55.95 56.42 1sdd s SER 2003Cb -0.12 0.05 -0.10 0.00 0.10 0.00 0.00 66.02 65.96 1sdd s SER 2003CO 0.02 -0.23 1.44 -2.84 0.98 0.00 0.00 173.24 172.60 1sdd s PRO 2004N 2.10 4.28 0.00 4.02 0.02 -1.26 -2.08 135.00 142.09 1sdd s PRO 2004Ca 0.03 2.24 0.02 0.00 0.02 0.00 0.00 61.00 63.30 1sdd s PRO 2004Cb -0.12 -3.15 0.02 0.00 0.02 0.00 0.00 34.50 31.27 1sdd s PRO 2004CO -0.04 -0.43 0.68 0.25 -0.33 0.00 0.00 177.00 177.12 1sdd n THR 2005N 2.97 0.26 -3.61 0.99 -2.24 0.18 -4.69 114.28 108.14 1sdd n THR 2005Ca 0.09 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 1sdd n THR 2005Cb 0.41 0.90 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 1sdd n THR 2005CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sdd s GLY 2006N -0.36 -0.39 0.30 3.38 0.00 -0.82 -4.91 107.32 104.52 1sdd s GLY 2006Ca 0.02 2.13 -0.17 0.00 0.00 0.00 0.00 44.72 46.70 1sdd s GLY 2006CO 0.02 1.58 0.68 -1.35 0.00 0.00 0.00 173.10 174.04 1sdd s SER 2007N -0.06 -0.10 -0.34 1.64 1.04 -1.26 -0.13 113.70 114.49 1sdd s SER 2007Ca -0.01 -0.85 -0.03 0.00 0.48 0.00 0.00 55.95 55.54 1sdd s SER 2007Cb -0.04 0.73 0.06 0.00 0.10 0.00 0.00 66.02 66.88 1sdd s SER 2007CO 0.00 -1.40 0.08 -0.47 0.98 0.00 0.00 173.24 172.43 1sdd s TYR 2008N -3.49 3.35 0.00 5.02 5.04 -0.91 -4.84 117.35 121.52 1sdd s TYR 2008Ca 0.15 -1.93 0.00 0.00 -2.44 0.00 0.00 57.07 52.85 1sdd s TYR 2008Cb -0.05 -2.46 0.00 0.00 0.35 0.00 0.00 41.96 39.81 1sdd s TYR 2008CO 0.09 -0.84 0.00 0.09 -1.34 0.00 0.00 175.55 173.56 1sdd n ASN 2009N 4.65 0.00 -3.84 4.32 5.03 -1.26 -3.65 115.26 120.51 1sdd n ASN 2009Ca -0.10 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.23 1sdd n ASN 2009Cb 0.43 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.08 1sdd n ASN 2009CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1sdd s LYS 2010N 0.00 0.30 -0.67 3.52 1.02 -1.26 -5.05 119.74 117.60 1sdd s LYS 2010Ca 0.00 -0.05 -0.26 0.00 0.02 0.00 0.00 55.97 55.68 1sdd s LYS 2010Cb 0.00 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.40 1sdd s LYS 2010CO 0.00 -0.06 2.02 -2.14 -0.92 0.00 0.00 175.35 174.26 1sdd s PRO 2011N -0.53 2.43 0.19 -1.68 0.02 -1.26 -2.89 135.00 131.28 1sdd s PRO 2011Ca -0.06 0.52 0.02 0.00 0.02 0.00 0.00 61.00 61.50 1sdd s PRO 2011Cb -0.04 -4.62 -0.04 0.00 0.02 0.00 0.00 34.50 29.83 1sdd s PRO 2011CO 0.01 -3.13 0.35 0.00 -0.33 0.00 0.00 177.00 173.90 1sdd s ALA 2012N 10.35 3.90 -0.22 -1.55 0.00 -1.26 -2.94 121.76 130.04 1sdd s ALA 2012Ca 0.75 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 1sdd s ALA 2012Cb -0.12 -1.87 0.07 0.00 0.00 0.00 0.00 23.12 21.20 1sdd s ALA 2012CO 0.15 0.43 0.54 -0.51 0.00 0.00 0.00 175.76 176.38 1sdd s LEU 2013N -3.43 -0.53 -0.11 0.00 1.43 0.42 -2.98 118.68 113.48 1sdd s LEU 2013Ca 0.36 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1sdd s LEU 2013Cb -0.11 1.85 0.02 0.00 0.03 0.00 0.00 46.19 47.98 1sdd s LEU 2013CO 0.29 -0.22 -0.13 -0.13 0.23 0.00 0.00 176.35 176.40 1sdd s ARG 2014N 1.58 2.01 0.15 1.70 0.52 0.05 -1.92 118.95 123.03 1sdd s ARG 2014Ca -0.09 -0.47 -0.00 0.00 -0.52 0.00 0.00 55.73 54.64 1sdd s ARG 2014Cb -0.07 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.56 1sdd s ARG 2014CO -0.16 -0.14 0.05 -0.48 0.02 0.00 0.00 175.30 174.59 1sdd s LEU 2015N 1.22 1.80 -0.02 2.53 0.05 -0.84 0.62 118.68 124.04 1sdd s LEU 2015Ca -0.02 -1.22 -0.01 0.00 0.05 0.00 0.00 54.13 52.92 1sdd s LEU 2015Cb -0.14 0.22 0.01 0.00 -2.05 0.00 0.00 46.19 44.23 1sdd s LEU 2015CO -0.04 -0.70 0.04 -0.70 -0.55 0.00 0.00 176.35 174.39 1sdd s GLU 2016N -4.03 0.03 0.12 1.48 2.56 0.21 -2.33 118.70 116.75 1sdd s GLU 2016Ca 0.26 0.09 0.02 0.00 0.00 0.00 0.00 54.97 55.34 1sdd s GLU 2016Cb 0.07 -0.03 -0.04 0.00 2.00 0.00 0.00 34.13 36.14 1sdd s GLU 2016CO 0.03 -0.04 0.22 -0.51 -0.56 0.00 0.00 175.26 174.41 1sdd s LEU 2017N 0.23 4.23 0.04 2.70 1.43 -1.26 -0.46 118.68 125.58 1sdd s LEU 2017Ca -0.02 0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1sdd s LEU 2017Cb -0.03 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 1sdd s LEU 2017CO -0.01 0.10 -0.17 -1.10 0.23 0.00 0.00 176.35 175.41 1sdd s GLN 2018N -2.92 1.12 0.00 1.70 -0.21 0.57 -1.11 119.66 118.81 1sdd s GLN 2018Ca 0.34 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.89 1sdd s GLN 2018Cb -0.12 -1.17 0.00 0.00 1.00 0.00 0.00 33.01 32.72 1sdd s GLN 2018CO 0.27 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 174.15 1sdd n GLY 2019N 1.89 -0.84 0.00 3.09 0.00 -0.69 -0.15 105.19 108.49 1sdd n GLY 2019Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1sdd n GLY 2019CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdd s GLU 2021N -1.98 4.52 0.37 0.00 0.41 -1.26 -1.17 118.70 119.59 1sdd s GLU 2021Ca 0.00 1.11 0.04 0.00 -0.41 0.00 0.00 54.97 55.71 1sdd s GLU 2021Cb 0.00 -3.27 0.72 0.00 -1.78 0.00 0.00 34.13 29.80 1sdd s GLU 2021CO 0.00 0.56 2.01 0.28 -0.49 0.00 0.00 175.26 177.63 1sdd h VAL 2022N 3.40 1.12 -0.01 2.63 2.07 -1.88 -2.10 116.25 121.48 1sdd h VAL 2022Ca -0.47 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1sdd h VAL 2022Cb 1.21 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1sdd h VAL 2022CO 0.66 0.14 0.00 0.59 0.02 0.00 0.00 177.57 178.98 1sdd n ASN 2023N -4.46 0.05 -1.00 0.57 5.03 -1.26 -4.82 115.26 109.37 1sdd n ASN 2023Ca 0.06 -1.69 0.09 0.00 0.87 0.00 0.00 54.58 53.92 1sdd n ASN 2023Cb 0.08 -0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.82 1sdd n ASN 2023CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sdd n GLY 2024N 0.67 -1.66 3.47 7.41 0.00 -0.79 -4.36 105.19 109.93 1sdd n GLY 2024Ca 0.08 -1.18 -0.21 0.00 0.00 0.00 0.00 46.02 44.71 1sdd n GLY 2024CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdd n SER 2026N -2.67 -0.16 -4.93 0.00 3.41 -1.26 -4.54 113.62 103.48 1sdd n SER 2026Ca -0.09 -1.69 -0.21 0.00 -0.26 0.00 0.00 58.87 56.62 1sdd n SER 2026Cb 0.59 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 1sdd n SER 2026CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1sdd s THR 2027N 0.00 5.05 0.58 6.66 -4.23 -1.26 -4.72 115.64 117.71 1sdd s THR 2027Ca 0.06 -1.09 -0.19 0.00 -1.18 0.00 0.00 61.69 59.29 1sdd s THR 2027Cb 0.07 -3.73 -0.06 0.00 1.34 0.00 0.00 72.50 70.12 1sdd s THR 2027CO -0.03 -0.33 0.99 -2.65 -0.54 0.00 0.00 174.62 172.06 1sdd n PRO 2028N -1.32 1.00 -0.00 3.99 -0.02 -1.26 -1.61 135.00 135.78 1sdd n PRO 2028Ca -0.09 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 61.88 1sdd n PRO 2028Cb 0.57 -2.17 -0.12 0.00 -0.02 0.00 0.00 33.50 31.76 1sdd n PRO 2028CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1sdd n LEU 2029N -0.60 0.70 0.00 2.45 4.77 -1.07 -4.78 117.00 118.46 1sdd n LEU 2029Ca 0.13 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1sdd n LEU 2029Cb 0.46 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1sdd n LEU 2029CO 0.50 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1sdd n GLY 2030N 1.43 0.36 0.22 -0.72 0.00 -1.26 -4.44 105.19 100.78 1sdd n GLY 2030Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1sdd n GLY 2030CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1sdd h MET 2031N 0.00 -0.49 0.02 1.61 2.86 -1.87 -2.00 114.93 115.06 1sdd h MET 2031Ca 0.00 0.03 -0.21 0.00 -2.06 0.00 0.00 59.70 57.46 1sdd h MET 2031Cb 0.00 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1sdd h MET 2031CO 0.00 -0.32 -1.00 1.49 1.06 0.00 0.00 176.91 178.14 1sdd h GLU 2032N -0.51 0.05 0.04 1.72 4.81 -1.82 -3.38 114.58 115.49 1sdd h GLU 2032Ca -0.05 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1sdd h GLU 2032Cb 0.39 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1sdd h GLU 2032CO 0.09 1.00 -0.02 0.66 -0.73 0.00 0.00 179.01 180.01 1sdd h SER 2033N 0.02 -0.04 0.00 1.04 4.64 -1.94 -3.49 113.55 113.78 1sdd h SER 2033Ca -0.03 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1sdd h SER 2033Cb 1.73 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1sdd h SER 2033CO 0.14 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1sdd n GLY 2034N 1.56 0.74 0.42 -0.77 0.00 -0.78 -4.97 105.19 101.39 1sdd n GLY 2034Ca -0.03 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.24 1sdd n GLY 2034CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sdd h LYS 2035N 0.00 0.31 -5.84 1.61 1.57 -1.88 -3.06 116.57 109.28 1sdd h LYS 2035Ca 0.00 -0.02 -0.62 0.00 -1.87 0.00 0.00 60.65 58.14 1sdd h LYS 2035Cb 0.00 -0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.11 1sdd h LYS 2035CO 0.00 0.21 0.42 0.42 -0.57 0.00 0.00 179.45 179.93 1sdd s ILE 2036N -5.46 4.58 0.52 1.86 1.01 -1.02 -4.99 121.20 117.71 1sdd s ILE 2036Ca -0.09 0.43 -0.17 0.00 0.00 0.00 0.00 60.65 60.83 1sdd s ILE 2036Cb 0.27 -4.38 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 1sdd s ILE 2036CO 0.80 -0.81 1.00 -1.61 0.00 0.00 0.00 174.94 174.33 1sdd s GLU 2037N 3.46 3.82 0.22 2.79 2.02 -1.16 -4.74 118.70 125.11 1sdd s GLU 2037Ca 0.31 1.05 -0.13 0.00 0.02 0.00 0.00 54.97 56.22 1sdd s GLU 2037Cb -0.12 -2.11 0.27 0.00 0.10 0.00 0.00 34.13 32.27 1sdd s GLU 2037CO 0.22 -0.39 1.61 -0.91 0.02 0.00 0.00 175.26 175.82 1sdd h ASN 2038N 0.92 -0.68 0.00 -0.19 4.21 -1.89 -2.07 115.58 115.87 1sdd h ASN 2038Ca -0.47 0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.25 1sdd h ASN 2038Cb 1.19 0.45 0.00 0.00 -1.12 0.00 0.00 38.32 38.84 1sdd h ASN 2038CO 0.60 -0.24 0.00 2.29 -1.29 0.00 0.00 177.43 178.80 1sdd n LYS 2039N -5.47 0.18 0.00 0.81 0.00 -1.26 -1.02 118.16 111.40 1sdd n LYS 2039Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1sdd n LYS 2039Cb 0.36 -1.41 0.00 0.00 -0.00 0.00 0.00 35.03 33.98 1sdd n LYS 2039CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1sdd n GLN 2040N 1.53 3.78 -3.65 -1.58 6.02 -0.78 -5.02 117.38 117.68 1sdd n GLN 2040Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 1sdd n GLN 2040Cb 0.09 -0.62 -0.11 0.00 1.02 0.00 0.00 30.24 30.62 1sdd n GLN 2040CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sdd s ILE 2041N -0.64 5.08 -0.04 5.09 1.01 -0.18 -0.95 121.20 130.57 1sdd s ILE 2041Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1sdd s ILE 2041Cb 0.00 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 39.10 1sdd s ILE 2041CO 0.00 0.29 0.07 0.42 0.00 0.00 0.00 174.94 175.72 1sdd s THR 2042N 1.59 -0.07 0.25 2.92 -4.23 -0.74 -4.05 115.64 111.30 1sdd s THR 2042Ca 0.07 0.24 0.11 0.00 -1.18 0.00 0.00 61.69 60.92 1sdd s THR 2042Cb -0.15 -0.14 -0.05 0.00 1.34 0.00 0.00 72.50 73.51 1sdd s THR 2042CO 0.08 0.10 -0.12 0.00 -0.54 0.00 0.00 174.62 174.14 1sdd s ALA 2043N 1.26 2.90 0.08 3.99 0.00 -1.26 -2.52 121.76 126.22 1sdd s ALA 2043Ca -0.07 -1.71 -0.27 0.00 0.00 0.00 0.00 51.96 49.91 1sdd s ALA 2043Cb -0.13 -0.52 -0.11 0.00 0.00 0.00 0.00 23.12 22.36 1sdd s ALA 2043CO -0.04 0.32 1.43 0.66 0.00 0.00 0.00 175.76 178.13 1sdd h SER 2044N 2.33 -1.25 -3.79 0.00 4.64 -1.54 -3.45 113.55 110.50 1sdd h SER 2044Ca -0.43 0.13 -0.39 0.00 -0.47 0.00 0.00 61.79 60.63 1sdd h SER 2044Cb 1.24 0.46 -0.14 0.00 -0.31 0.00 0.00 62.40 63.65 1sdd h SER 2044CO 0.58 -0.43 -0.66 -0.94 -0.87 0.00 0.00 176.83 174.51 1sdd s SER 2045N -4.16 1.91 0.17 4.97 1.04 -1.26 -5.04 113.70 111.32 1sdd s SER 2045Ca -0.13 -1.23 -0.20 0.00 0.48 0.00 0.00 55.95 54.88 1sdd s SER 2045Cb 0.05 -0.00 0.05 0.00 0.10 0.00 0.00 66.02 66.21 1sdd s SER 2045CO 0.47 -0.51 0.53 0.72 0.98 0.00 0.00 173.24 175.43 1sdd s PHE 2046N -3.39 -0.31 0.44 5.02 -0.71 -1.26 -4.17 117.98 113.60 1sdd s PHE 2046Ca 0.29 0.02 0.01 0.00 -1.04 0.00 0.00 56.93 56.21 1sdd s PHE 2046Cb 0.06 0.44 -0.00 0.00 -1.21 0.00 0.00 43.02 42.31 1sdd s PHE 2046CO 0.09 -0.85 0.66 0.15 -1.34 0.00 0.00 175.22 173.93 1sdd s LYS 2047N -3.81 3.06 -0.40 1.99 1.02 -1.05 -4.13 119.74 116.42 1sdd s LYS 2047Ca 0.04 -0.53 0.05 0.00 0.02 0.00 0.00 55.97 55.55 1sdd s LYS 2047Cb -0.01 -2.58 0.31 0.00 -0.52 0.00 0.00 37.83 35.04 1sdd s LYS 2047CO -0.09 -0.25 1.21 1.63 -0.92 0.00 0.00 175.35 176.93 1sdd n LYS 2048N -2.05 0.62 -1.80 1.68 5.02 -1.24 -1.82 118.16 118.57 1sdd n LYS 2048Ca 0.01 -1.39 -0.42 0.00 -2.02 0.00 0.00 58.31 54.50 1sdd n LYS 2048Cb 0.58 -0.70 -0.02 0.00 -0.02 0.00 0.00 35.03 34.86 1sdd n LYS 2048CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1sdd s SER 2049N -0.85 6.43 0.00 4.39 1.04 0.31 -4.81 113.70 120.21 1sdd s SER 2049Ca 0.23 2.84 0.00 0.00 0.48 0.00 0.00 55.95 59.49 1sdd s SER 2049Cb 0.28 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1sdd s SER 2049CO -0.13 -0.91 0.00 -2.67 0.98 0.00 0.00 173.24 170.52 1sdd n TRP 2050N 3.25 0.00 -1.30 5.02 2.14 -1.26 -2.04 117.44 123.25 1sdd n TRP 2050Ca 0.12 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.49 1sdd n TRP 2050Cb 0.37 0.00 0.18 0.00 -0.81 0.00 0.00 31.31 31.05 1sdd n TRP 2050CO 0.00 0.00 0.00 0.91 2.07 0.00 0.00 177.69 180.67 1sdd n TRP 2051N -0.08 2.63 -1.39 -2.67 8.01 -1.26 -4.86 117.44 117.82 1sdd n TRP 2051Ca 0.00 -1.86 -0.10 0.00 -1.31 0.00 0.00 57.50 54.23 1sdd n TRP 2051Cb 0.00 -0.87 -0.04 0.00 -2.01 0.00 0.00 31.31 28.39 1sdd n TRP 2051CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sdd n GLY 2052N -1.13 1.00 3.18 6.99 0.00 -1.02 -5.00 105.19 109.22 1sdd n GLY 2052Ca 0.54 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1sdd n GLY 2052CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sdd s ASN 2053N -2.86 5.22 -0.17 1.61 0.01 -0.87 -5.01 114.94 112.87 1sdd s ASN 2053Ca 0.00 -1.60 0.01 0.00 -0.71 0.00 0.00 52.86 50.56 1sdd s ASN 2053Cb 0.00 -1.83 0.02 0.00 0.41 0.00 0.00 41.25 39.85 1sdd s ASN 2053CO 0.00 -0.43 -0.20 -0.31 -1.51 0.00 0.00 177.10 174.65 1sdd s TYR 2054N 1.26 2.77 -0.94 2.20 1.51 -1.26 -0.53 117.35 122.35 1sdd s TYR 2054Ca 0.02 -1.57 -0.01 0.00 -1.01 0.00 0.00 57.07 54.51 1sdd s TYR 2054Cb -0.21 -1.91 0.30 0.00 -0.11 0.00 0.00 41.96 40.02 1sdd s TYR 2054CO -0.01 -0.76 1.30 0.91 -1.11 0.00 0.00 175.55 175.87 1sdd n TRP 2055N 4.53 2.70 -1.69 2.71 7.02 -0.75 -4.82 117.44 127.15 1sdd n TRP 2055Ca -0.21 -3.03 -0.38 0.00 -1.02 0.00 0.00 57.50 52.86 1sdd n TRP 2055Cb 0.50 -1.04 0.06 0.00 -2.42 0.00 0.00 31.31 28.41 1sdd n TRP 2055CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1sdd n GLU 2056N 1.03 1.14 -0.31 -0.99 -0.58 -1.26 -3.24 120.64 116.42 1sdd n GLU 2056Ca 0.29 0.44 0.05 0.00 -0.42 0.00 0.00 57.16 57.51 1sdd n GLU 2056Cb 0.35 -2.39 0.24 0.00 -0.57 0.00 0.00 31.44 29.07 1sdd n GLU 2056CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1sdd h PRO 2057N 0.69 0.99 -0.38 3.49 0.11 -1.87 -2.77 132.00 132.27 1sdd h PRO 2057Ca -0.50 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1sdd h PRO 2057Cb 1.34 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1sdd h PRO 2057CO 0.53 0.66 0.00 1.97 -0.21 0.00 0.00 178.00 180.95 1sdd n PHE 2058N -4.51 0.00 0.64 0.65 1.16 -1.26 -2.14 117.46 112.01 1sdd n PHE 2058Ca 0.15 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.80 1sdd n PHE 2058Cb 0.23 -0.04 -0.00 0.00 -1.61 0.00 0.00 39.48 38.06 1sdd n PHE 2058CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1sdd n LEU 2059N 0.03 1.51 -2.74 5.98 4.77 -1.04 -4.66 117.00 120.84 1sdd n LEU 2059Ca 0.00 -0.76 -0.18 0.00 -0.03 0.00 0.00 56.01 55.03 1sdd n LEU 2059Cb 0.09 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1sdd n LEU 2059CO 0.00 0.29 2.03 0.00 -1.33 0.00 0.00 177.39 178.38 1sdd n ALA 2060N -0.17 5.11 -2.99 -1.18 0.00 -0.91 -3.72 120.51 116.65 1sdd n ALA 2060Ca 0.06 -1.88 -0.41 0.00 0.00 0.00 0.00 53.44 51.21 1sdd n ALA 2060Cb 0.30 -2.74 -0.10 0.00 0.00 0.00 0.00 19.45 16.91 1sdd n ALA 2060CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sdd s ARG 2061N 2.44 2.77 -0.22 0.00 0.52 -1.26 -1.40 118.95 121.81 1sdd s ARG 2061Ca 0.47 -1.27 -0.34 0.00 -0.52 0.00 0.00 55.73 54.06 1sdd s ARG 2061Cb 0.16 -3.83 -0.15 0.00 0.52 0.00 0.00 34.95 31.65 1sdd s ARG 2061CO -0.02 -0.86 1.05 -0.11 0.02 0.00 0.00 175.30 175.38 1sdd n LEU 2062N 5.01 0.52 -1.43 2.53 -0.00 0.10 -2.37 117.00 121.37 1sdd n LEU 2062Ca -0.11 0.91 -0.04 0.00 -0.00 0.00 0.00 56.01 56.77 1sdd n LEU 2062Cb 0.44 -0.69 0.02 0.00 -0.00 0.00 0.00 43.42 43.19 1sdd n LEU 2062CO 0.40 -1.01 0.03 0.59 -0.00 0.00 0.00 177.39 177.39 1sdd n ASN 2063N 2.23 -2.22 -4.88 1.96 3.02 -1.26 -4.62 115.26 109.50 1sdd n ASN 2063Ca 0.20 -0.13 -0.33 0.00 -0.03 0.00 0.00 54.58 54.30 1sdd n ASN 2063Cb 0.00 -1.47 -0.05 0.00 -0.61 0.00 0.00 39.78 37.65 1sdd n ASN 2063CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sdd s ALA 2064N -3.07 3.70 0.07 5.41 0.00 -1.00 -5.10 121.76 121.77 1sdd s ALA 2064Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1sdd s ALA 2064Cb -0.01 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1sdd s ALA 2064CO 0.15 0.58 -0.00 -0.65 0.00 0.00 0.00 175.76 175.84 1sdd s GLN 2065N -2.43 0.70 0.00 0.00 -1.52 -1.26 -4.90 119.66 110.25 1sdd s GLN 2065Ca 0.40 -1.28 0.00 0.00 -1.95 0.00 0.00 55.36 52.53 1sdd s GLN 2065Cb -0.13 0.22 0.00 0.00 -0.22 0.00 0.00 33.01 32.88 1sdd s GLN 2065CO 0.21 -0.15 0.00 0.41 -0.25 0.00 0.00 175.29 175.51 1sdd n GLY 2066N 0.05 0.63 0.00 3.09 0.00 -1.26 -4.77 105.19 102.93 1sdd n GLY 2066Ca -0.12 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1sdd n GLY 2066CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1sdd n ARG 2067N 0.00 0.00 -3.36 1.61 3.00 -1.26 -4.56 116.66 112.09 1sdd n ARG 2067Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.41 1sdd n ARG 2067Cb 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 32.46 32.27 1sdd n ARG 2067CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1sdd s VAL 2068N 0.00 5.20 -0.66 5.15 -7.23 -1.26 -4.96 120.40 116.65 1sdd s VAL 2068Ca 0.00 -1.04 -0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1sdd s VAL 2068Cb 0.00 -4.15 0.42 0.00 0.56 0.00 0.00 36.38 33.20 1sdd s VAL 2068CO 0.00 -0.61 1.84 -0.46 -0.31 0.00 0.00 175.10 175.56 1sdd n ASN 2069N 5.29 7.04 0.00 4.85 6.94 -1.26 -4.99 115.26 133.13 1sdd n ASN 2069Ca -0.12 -3.79 0.00 0.00 -0.02 0.00 0.00 54.58 50.65 1sdd n ASN 2069Cb 0.44 -0.88 0.00 0.00 -2.36 0.00 0.00 39.78 36.98 1sdd n ASN 2069CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1sdd n ALA 2070N -0.74 0.00 -3.17 -2.53 0.00 -1.24 -4.65 120.51 108.18 1sdd n ALA 2070Ca 0.56 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.65 1sdd n ALA 2070Cb 0.57 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.88 1sdd n ALA 2070CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1sdd s TRP 2071N -3.00 2.96 -0.15 0.00 -0.00 -0.09 -4.35 118.94 114.31 1sdd s TRP 2071Ca 0.00 -0.59 -0.02 0.00 -0.00 0.00 0.00 56.10 55.49 1sdd s TRP 2071Cb 0.00 -2.00 -0.02 0.00 -0.00 0.00 0.00 33.47 31.45 1sdd s TRP 2071CO 0.00 -0.26 -0.08 -0.65 -0.00 0.00 0.00 176.95 175.95 1sdd s GLN 2072N 0.81 3.50 -0.34 5.86 -1.52 -1.20 -0.40 119.66 126.37 1sdd s GLN 2072Ca -0.02 -0.61 -0.29 0.00 -1.95 0.00 0.00 55.36 52.49 1sdd s GLN 2072Cb -0.15 -2.78 0.02 0.00 -0.22 0.00 0.00 33.01 29.88 1sdd s GLN 2072CO 0.02 0.18 1.07 0.00 -0.25 0.00 0.00 175.29 176.30 1sdd s ALA 2073N 0.48 3.46 0.56 6.09 0.00 0.74 -2.52 121.76 130.58 1sdd s ALA 2073Ca -0.06 -0.12 0.32 0.00 0.00 0.00 0.00 51.96 52.09 1sdd s ALA 2073Cb -0.15 -3.68 1.46 0.00 0.00 0.00 0.00 23.12 20.75 1sdd s ALA 2073CO 0.04 -1.55 1.80 -0.22 0.00 0.00 0.00 175.76 175.83 1sdd h LYS 2074N 8.21 0.00 -4.71 0.00 3.64 -1.73 -3.39 116.57 118.60 1sdd h LYS 2074Ca -0.21 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.81 1sdd h LYS 2074Cb 1.06 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.62 1sdd h LYS 2074CO 1.04 0.00 -0.77 0.00 -2.27 0.00 0.00 179.45 177.45 1sdd s ALA 2075N -4.79 0.72 -0.86 5.00 0.00 -1.26 -4.94 121.76 115.62 1sdd s ALA 2075Ca -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1sdd s ALA 2075Cb 0.19 -0.13 0.24 0.00 0.00 0.00 0.00 23.12 23.43 1sdd s ALA 2075CO 0.68 0.14 0.90 0.09 0.00 0.00 0.00 175.76 177.57 1sdd n ASN 2076N 2.45 4.48 0.00 0.00 5.03 -1.26 -4.90 115.26 121.06 1sdd n ASN 2076Ca -0.16 -3.27 0.00 0.00 0.87 0.00 0.00 54.58 52.02 1sdd n ASN 2076Cb 0.56 -0.98 0.00 0.00 -1.02 0.00 0.00 39.78 38.34 1sdd n ASN 2076CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1sdd n ASN 2077N 1.71 0.00 0.00 6.41 0.23 -1.26 -5.06 115.26 117.29 1sdd n ASN 2077Ca 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.30 1sdd n ASN 2077Cb 0.37 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1sdd n ASN 2077CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1sdd n ASN 2078N 0.00 0.00 -3.56 0.53 5.15 -1.26 -5.00 115.26 111.12 1sdd n ASN 2078Ca 0.00 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.59 1sdd n ASN 2078Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 1sdd n ASN 2078CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1sdd n ASN 2079N -0.41 6.84 -4.65 1.20 4.05 -1.26 -4.71 115.26 116.32 1sdd n ASN 2079Ca 0.00 -3.67 -0.26 0.00 0.45 0.00 0.00 54.58 51.10 1sdd n ASN 2079Cb 0.00 -1.08 -0.08 0.00 1.23 0.00 0.00 39.78 39.85 1sdd n ASN 2079CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1sdd s GLN 2080N -4.09 2.36 -0.04 1.20 -1.52 -1.26 -5.06 119.66 111.25 1sdd s GLN 2080Ca 0.40 -1.17 -0.17 0.00 -1.95 0.00 0.00 55.36 52.47 1sdd s GLN 2080Cb 0.19 -2.31 0.03 0.00 -0.22 0.00 0.00 33.01 30.71 1sdd s GLN 2080CO -0.11 0.44 0.38 1.67 -0.25 0.00 0.00 175.29 177.42 1sdd s TRP 2081N -1.81 -0.29 -0.13 0.91 1.48 -1.26 -4.10 118.94 113.73 1sdd s TRP 2081Ca 0.28 0.52 0.01 0.00 -1.06 0.00 0.00 56.10 55.85 1sdd s TRP 2081Cb -0.09 0.16 0.02 0.00 -1.16 0.00 0.00 33.47 32.40 1sdd s TRP 2081CO 0.18 -0.40 -0.16 -1.17 -4.06 0.00 0.00 176.95 171.34 1sdd s LEU 2082N -1.11 1.76 0.09 -4.66 1.98 -0.99 -1.16 118.68 114.59 1sdd s LEU 2082Ca -0.11 -0.47 0.06 0.00 -2.89 0.00 0.00 54.13 50.71 1sdd s LEU 2082Cb -0.04 -1.17 -0.03 0.00 0.66 0.00 0.00 46.19 45.61 1sdd s LEU 2082CO 0.05 -0.00 -0.15 0.00 -1.89 0.00 0.00 176.35 174.36 1sdd s GLN 2083N 1.16 0.90 0.02 1.98 -2.07 -1.05 -0.36 119.66 120.25 1sdd s GLN 2083Ca -0.02 -1.06 0.08 0.00 -1.82 0.00 0.00 55.36 52.54 1sdd s GLN 2083Cb -0.14 -0.89 -0.02 0.00 -1.09 0.00 0.00 33.01 30.86 1sdd s GLN 2083CO -0.05 0.19 -0.23 0.42 -1.32 0.00 0.00 175.29 174.30 1sdd s ILE 2084N -1.53 1.82 -0.55 3.63 1.01 -0.64 -1.80 121.20 123.14 1sdd s ILE 2084Ca 0.02 -1.14 -0.12 0.00 0.00 0.00 0.00 60.65 59.41 1sdd s ILE 2084Cb -0.08 -1.54 0.14 0.00 0.01 0.00 0.00 42.46 40.98 1sdd s ILE 2084CO 0.03 0.37 0.46 -0.62 0.00 0.00 0.00 174.94 175.17 1sdd s ASP 2085N -0.91 5.98 0.00 3.58 -1.08 -0.12 -2.69 116.67 121.42 1sdd s ASP 2085Ca 0.09 -2.01 0.00 0.00 -0.52 0.00 0.00 52.55 50.11 1sdd s ASP 2085Cb -0.09 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.27 1sdd s ASP 2085CO 0.01 -0.72 0.53 0.18 0.52 0.00 0.00 175.17 175.68 1sdd n LEU 2086N 4.85 0.09 0.00 -1.34 4.77 0.39 -4.81 117.00 120.95 1sdd n LEU 2086Ca -0.07 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1sdd n LEU 2086Cb 0.41 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1sdd n LEU 2086CO 0.45 0.02 0.00 0.18 -1.33 0.00 0.00 177.39 176.72 1sdd n LEU 2087N -0.38 0.00 -4.05 2.23 4.77 -1.26 -4.69 117.00 113.61 1sdd n LEU 2087Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1sdd n LEU 2087Cb 0.02 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 1sdd n LEU 2087CO 0.00 0.00 0.11 -0.54 -1.33 0.00 0.00 177.39 175.63 1sdd s LYS 2088N 0.00 1.64 -0.09 3.23 1.02 -1.26 -5.10 119.74 119.18 1sdd s LYS 2088Ca 0.00 -1.49 -0.30 0.00 0.02 0.00 0.00 55.97 54.21 1sdd s LYS 2088Cb 0.00 0.44 -0.01 0.00 -0.52 0.00 0.00 37.83 37.73 1sdd s LYS 2088CO 0.00 -0.67 1.01 0.42 -0.92 0.00 0.00 175.35 175.20 1sdd s ILE 2089N -3.67 4.76 0.50 2.17 1.01 -1.26 -4.04 121.20 120.68 1sdd s ILE 2089Ca 0.27 2.02 0.02 0.00 0.00 0.00 0.00 60.65 62.96 1sdd s ILE 2089Cb 0.00 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 1sdd s ILE 2089CO 0.13 0.02 0.01 -0.54 0.00 0.00 0.00 174.94 174.56 1sdd s LYS 2090N 1.90 2.17 -0.44 2.79 -0.14 0.58 -4.43 119.74 122.17 1sdd s LYS 2090Ca 0.49 -2.38 -0.06 0.00 -1.36 0.00 0.00 55.97 52.66 1sdd s LYS 2090Cb -0.19 -1.49 0.11 0.00 -1.68 0.00 0.00 37.83 34.58 1sdd s LYS 2090CO 0.19 -0.35 0.28 0.21 -0.76 0.00 0.00 175.35 174.92 1sdd s LYS 2091N -3.86 2.27 -0.44 1.68 2.20 -0.37 -2.92 119.74 118.31 1sdd s LYS 2091Ca 0.08 -1.77 -0.24 0.00 -0.36 0.00 0.00 55.97 53.68 1sdd s LYS 2091Cb 0.02 -3.77 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1sdd s LYS 2091CO 0.04 -1.13 0.81 0.42 -0.36 0.00 0.00 175.35 175.14 1sdd s ILE 2092N 1.27 4.63 -0.10 5.43 -1.09 0.55 -1.85 121.20 130.02 1sdd s ILE 2092Ca 0.07 0.57 0.20 0.00 -2.23 0.00 0.00 60.65 59.26 1sdd s ILE 2092Cb -0.25 -4.33 -0.26 0.00 -1.58 0.00 0.00 42.46 36.05 1sdd s ILE 2092CO -0.02 -0.69 0.49 0.35 -1.23 0.00 0.00 174.94 173.83 1sdd n THR 2093N 6.14 0.54 -3.83 2.92 -2.24 0.36 -1.40 114.28 116.77 1sdd n THR 2093Ca 0.03 -0.61 -0.05 0.00 -2.27 0.00 0.00 64.05 61.14 1sdd n THR 2093Cb 0.48 -0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.50 1sdd n THR 2093CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sdd n ALA 2094N -2.38 -2.21 -3.29 6.98 0.00 -1.00 -1.23 120.51 117.37 1sdd n ALA 2094Ca -0.11 -1.10 -0.14 0.00 0.00 0.00 0.00 53.44 52.09 1sdd n ALA 2094Cb 0.74 0.75 -0.09 0.00 0.00 0.00 0.00 19.45 20.85 1sdd n ALA 2094CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1sdd s ILE 2095N -2.10 0.03 -0.11 0.00 2.07 0.06 -1.33 121.20 119.82 1sdd s ILE 2095Ca 0.19 -0.22 0.02 0.00 -1.41 0.00 0.00 60.65 59.23 1sdd s ILE 2095Cb -0.04 -0.63 0.01 0.00 0.13 0.00 0.00 42.46 41.94 1sdd s ILE 2095CO 0.08 -0.12 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.13 1sdd s VAL 2096N -0.62 1.64 0.04 4.00 1.01 -0.00 -0.93 120.40 125.54 1sdd s VAL 2096Ca -0.07 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1sdd s VAL 2096Cb -0.04 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1sdd s VAL 2096CO 0.03 0.47 -0.16 0.42 0.00 0.00 0.00 175.10 175.86 1sdd s THR 2097N 0.92 2.94 -0.07 3.92 -4.23 -0.71 -2.03 115.64 116.38 1sdd s THR 2097Ca -0.07 -1.13 -0.06 0.00 -1.18 0.00 0.00 61.69 59.25 1sdd s THR 2097Cb -0.15 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 71.46 1sdd s THR 2097CO -0.01 0.34 0.17 -1.58 -0.54 0.00 0.00 174.62 173.00 1sdd s GLN 2098N -1.47 0.20 0.00 3.99 0.74 0.66 -2.87 119.66 120.90 1sdd s GLN 2098Ca 0.15 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.81 1sdd s GLN 2098Cb -0.11 0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.09 1sdd s GLN 2098CO 0.06 -0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.18 1sdd n GLY 2099N 3.06 -0.40 3.64 2.59 0.00 -1.15 -1.64 105.19 111.29 1sdd n GLY 2099Ca -0.13 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 1sdd n GLY 2099CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdd n LYS 2101N 3.32 1.97 -4.38 0.00 4.81 -1.26 -2.80 118.16 119.83 1sdd n LYS 2101Ca -0.17 -4.51 -0.23 0.00 -0.87 0.00 0.00 58.31 52.53 1sdd n LYS 2101Cb 0.57 -2.30 -0.11 0.00 0.02 0.00 0.00 35.03 33.21 1sdd n LYS 2101CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1sdd s SER 2102N -1.42 3.02 -1.43 3.14 0.01 -1.25 -4.69 113.70 111.08 1sdd s SER 2102Ca 0.26 -0.90 -0.09 0.00 1.31 0.00 0.00 55.95 56.53 1sdd s SER 2102Cb -0.03 -0.20 0.06 0.00 0.21 0.00 0.00 66.02 66.05 1sdd s SER 2102CO -0.16 0.01 0.67 0.18 0.41 0.00 0.00 173.24 174.35 1sdd n LEU 2103N 0.11 -2.17 -3.00 2.44 4.77 -1.26 -1.42 117.00 116.47 1sdd n LEU 2103Ca -0.11 -0.46 -0.20 0.00 -0.03 0.00 0.00 56.01 55.20 1sdd n LEU 2103Cb 0.57 -2.50 0.01 0.00 -2.33 0.00 0.00 43.42 39.17 1sdd n LEU 2103CO 0.31 0.27 -0.07 -1.20 -1.33 0.00 0.00 177.39 175.37 1sdd n SER 2104N -2.51 -4.46 -3.69 -1.43 7.64 -1.26 -4.96 113.62 102.95 1sdd n SER 2104Ca -0.03 -0.20 -0.27 0.00 1.01 0.00 0.00 58.87 59.38 1sdd n SER 2104Cb 0.56 -3.68 -0.16 0.00 -1.01 0.00 0.00 64.21 59.91 1sdd n SER 2104CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1sdd s SER 2105N -2.51 2.90 -0.74 6.43 0.15 -0.51 -5.09 113.70 114.33 1sdd s SER 2105Ca 0.26 -0.86 -0.26 0.00 0.70 0.00 0.00 55.95 55.79 1sdd s SER 2105Cb -0.13 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 1sdd s SER 2105CO 0.32 -0.33 1.62 -1.61 1.20 0.00 0.00 173.24 174.43 1sdd s GLU 2106N 1.92 2.92 -0.04 5.44 2.02 -1.26 -3.92 118.70 125.78 1sdd s GLU 2106Ca 0.01 0.00 0.06 0.00 0.02 0.00 0.00 54.97 55.06 1sdd s GLU 2106Cb -0.17 -4.50 -0.02 0.00 0.10 0.00 0.00 34.13 29.54 1sdd s GLU 2106CO -0.11 -2.55 -0.21 0.00 0.02 0.00 0.00 175.26 172.41 1sdd s MET 2107N 6.35 2.35 -0.02 1.61 0.23 -1.12 -4.65 119.30 124.05 1sdd s MET 2107Ca 0.54 -0.84 -0.28 0.00 -1.03 0.00 0.00 55.69 54.08 1sdd s MET 2107Cb -0.09 -2.19 0.10 0.00 -1.53 0.00 0.00 34.83 31.12 1sdd s MET 2107CO 0.13 0.55 0.84 1.52 -2.03 0.00 0.00 175.02 176.02 1sdd s TYR 2108N -0.56 -0.43 -0.30 3.16 -0.85 -1.06 -2.13 117.35 115.18 1sdd s TYR 2108Ca 0.08 0.46 -0.29 0.00 -0.52 0.00 0.00 57.07 56.80 1sdd s TYR 2108Cb -0.11 0.50 0.01 0.00 0.38 0.00 0.00 41.96 42.74 1sdd s TYR 2108CO 0.00 -0.56 1.16 0.08 -1.52 0.00 0.00 175.55 174.72 1sdd s VAL 2109N -2.50 4.37 -0.29 -3.49 1.01 -1.23 -1.94 120.40 116.33 1sdd s VAL 2109Ca 0.01 1.58 0.22 0.00 0.00 0.00 0.00 61.98 63.78 1sdd s VAL 2109Cb -0.01 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 32.16 1sdd s VAL 2109CO -0.05 -0.45 1.20 0.11 0.00 0.00 0.00 175.10 175.91 1sdd h LYS 2110N 8.49 0.00 -1.94 2.72 1.57 -1.16 -3.22 116.57 123.03 1sdd h LYS 2110Ca -0.23 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1sdd h LYS 2110Cb 1.08 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.19 1sdd h LYS 2110CO 1.03 0.02 0.23 -1.12 -0.57 0.00 0.00 179.45 179.04 1sdd s SER 2111N -5.63 -0.63 0.02 0.86 0.01 -0.91 -1.52 113.70 105.90 1sdd s SER 2111Ca 0.02 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1sdd s SER 2111Cb 0.08 0.65 -0.00 0.00 0.21 0.00 0.00 66.02 66.96 1sdd s SER 2111CO 0.76 -0.51 0.02 0.00 0.41 0.00 0.00 173.24 173.91 1sdd n TYR 2112N 1.18 -0.26 -3.69 2.43 -0.00 -1.12 -0.33 117.16 115.37 1sdd n TYR 2112Ca -0.17 -0.13 -0.14 0.00 -0.00 0.00 0.00 57.90 57.46 1sdd n TYR 2112Cb 0.57 0.02 -0.09 0.00 -0.00 0.00 0.00 39.34 39.84 1sdd n TYR 2112CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1sdd s THR 2113N -2.26 0.01 -0.06 -3.48 2.01 -1.00 -2.66 115.64 108.19 1sdd s THR 2113Ca 0.02 -0.06 -0.00 0.00 0.31 0.00 0.00 61.69 61.96 1sdd s THR 2113Cb 0.00 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 1sdd s THR 2113CO 0.01 -0.03 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.26 1sdd s ILE 2114N -0.06 4.11 -0.03 1.82 -1.09 -1.26 -0.59 121.20 124.10 1sdd s ILE 2114Ca -0.03 -0.40 0.03 0.00 -2.23 0.00 0.00 60.65 58.02 1sdd s ILE 2114Cb -0.03 -2.74 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 1sdd s ILE 2114CO 0.02 0.55 -0.10 -1.00 -1.23 0.00 0.00 174.94 173.18 1sdd s HIS 2115N -0.92 1.03 0.01 3.97 3.76 -0.79 -0.44 115.29 121.91 1sdd s HIS 2115Ca 0.15 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 54.84 1sdd s HIS 2115Cb -0.11 -0.72 -0.01 0.00 1.11 0.00 0.00 32.58 32.84 1sdd s HIS 2115CO 0.04 -0.10 -0.13 1.52 -0.85 0.00 0.00 174.74 175.21 1sdd s TYR 2116N 0.16 1.20 0.10 1.40 1.13 -1.25 0.36 117.35 120.44 1sdd s TYR 2116Ca -0.03 -0.27 0.06 0.00 -1.41 0.00 0.00 57.07 55.42 1sdd s TYR 2116Cb -0.09 -0.75 -0.03 0.00 -1.10 0.00 0.00 41.96 39.99 1sdd s TYR 2116CO 0.01 -0.00 -0.14 0.45 -2.51 0.00 0.00 175.55 173.35 1sdd s SER 2117N -0.60 1.88 -0.24 -0.18 0.15 -0.51 -3.47 113.70 110.73 1sdd s SER 2117Ca 0.04 -0.75 -0.02 0.00 0.70 0.00 0.00 55.95 55.92 1sdd s SER 2117Cb -0.06 -0.06 -0.14 0.00 -1.71 0.00 0.00 66.02 64.05 1sdd s SER 2117CO 0.00 -0.13 -0.24 0.47 1.20 0.00 0.00 173.24 174.54 1sdd n ASP 2118N 0.78 2.06 -0.07 5.45 9.92 -1.26 -0.72 116.55 132.70 1sdd n ASP 2118Ca -0.17 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 53.98 1sdd n ASP 2118Cb 0.56 -0.48 -0.15 0.00 -0.64 0.00 0.00 41.12 40.41 1sdd n ASP 2118CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sdd n GLN 2119N -3.46 0.67 0.00 -1.24 1.13 -1.26 -4.55 117.38 108.67 1sdd n GLN 2119Ca -0.44 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 54.73 1sdd n GLN 2119Cb 0.92 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 29.65 1sdd n GLN 2119CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sdd n GLY 2120N 1.74 1.33 3.98 1.08 0.00 -1.26 -5.10 105.19 106.96 1sdd n GLY 2120Ca -0.29 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1sdd n GLY 2120CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sdd s THR 2121N 0.00 2.37 0.10 2.61 -1.32 -1.26 -4.87 115.64 113.27 1sdd s THR 2121Ca 0.00 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 1sdd s THR 2121Cb 0.00 -2.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 1sdd s THR 2121CO 0.00 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 172.88 1sdd n ASP 2122N -2.60 -6.12 -4.28 8.08 9.92 -1.26 -4.75 116.55 115.54 1sdd n ASP 2122Ca 0.12 0.86 -0.26 0.00 -0.53 0.00 0.00 54.79 54.98 1sdd n ASP 2122Cb 0.60 -3.38 -0.14 0.00 -0.64 0.00 0.00 41.12 37.57 1sdd n ASP 2122CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1sdd s TRP 2123N -0.31 1.90 -0.33 1.24 0.52 -1.26 -4.55 118.94 116.15 1sdd s TRP 2123Ca 0.00 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.77 1sdd s TRP 2123Cb 0.00 -1.10 0.10 0.00 -1.15 0.00 0.00 33.47 31.31 1sdd s TRP 2123CO 0.00 0.14 0.04 0.21 0.02 0.00 0.00 176.95 177.36 1sdd s LYS 2124N -1.43 1.49 -0.12 4.98 2.20 -1.23 -4.96 119.74 120.68 1sdd s LYS 2124Ca 0.08 -1.81 -0.37 0.00 -0.36 0.00 0.00 55.97 53.52 1sdd s LYS 2124Cb -0.09 -3.13 -0.14 0.00 -1.51 0.00 0.00 37.83 32.95 1sdd s LYS 2124CO 0.03 -0.92 1.73 -2.30 -0.36 0.00 0.00 175.35 173.53 1sdd n PRO 2125N 4.29 1.64 -1.67 4.03 -0.02 -1.26 -3.86 135.00 138.15 1sdd n PRO 2125Ca 0.03 0.60 -0.45 0.00 -2.02 0.00 0.00 63.50 61.66 1sdd n PRO 2125Cb 0.42 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 1sdd n PRO 2125CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1sdd n TYR 2126N 5.29 2.45 -4.40 6.00 9.36 0.41 -4.81 117.16 131.46 1sdd n TYR 2126Ca 0.23 -0.15 -0.22 0.00 3.32 0.00 0.00 57.90 61.08 1sdd n TYR 2126Cb 0.22 -2.72 -0.10 0.00 -0.63 0.00 0.00 39.34 36.10 1sdd n TYR 2126CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1sdd s ARG 2127N 3.77 1.48 1.17 2.98 0.52 -1.26 -0.83 118.95 126.77 1sdd s ARG 2127Ca 0.89 -1.62 -0.15 0.00 -0.52 0.00 0.00 55.73 54.32 1sdd s ARG 2127Cb -0.56 -1.49 0.27 0.00 0.52 0.00 0.00 34.95 33.69 1sdd s ARG 2127CO 0.45 0.28 1.05 -1.21 0.02 0.00 0.00 175.30 175.88 1sdd s GLU 2128N -3.35 -0.93 0.63 3.54 0.41 -1.26 -4.83 118.70 112.91 1sdd s GLU 2128Ca 0.24 0.42 0.23 0.00 -0.41 0.00 0.00 54.97 55.46 1sdd s GLU 2128Cb -0.04 -1.59 1.13 0.00 -1.78 0.00 0.00 34.13 31.85 1sdd s GLU 2128CO 0.10 -3.62 1.61 0.87 -0.49 0.00 0.00 175.26 173.73 1sdd h LYS 2129N -2.53 0.00 -1.00 1.61 1.79 -2.01 -3.33 116.57 111.09 1sdd h LYS 2129Ca -0.54 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 57.96 1sdd h LYS 2129Cb 1.33 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.77 1sdd h LYS 2129CO 0.47 0.00 -0.38 -1.12 -1.08 0.00 0.00 179.45 177.34 1sdd s SER 2130N -4.21 -1.63 0.00 0.86 0.01 -1.26 -5.16 113.70 102.31 1sdd s SER 2130Ca -0.03 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1sdd s SER 2130Cb 0.11 2.04 0.00 0.00 0.21 0.00 0.00 66.02 68.38 1sdd s SER 2130CO 0.36 -0.30 0.00 -1.54 0.41 0.00 0.00 173.24 172.17 1sdd n SER 2131N 5.42 0.00 0.00 2.44 3.41 -1.25 -5.04 113.62 118.59 1sdd n SER 2131Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1sdd n SER 2131Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1sdd n SER 2131CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1sdd n MET 2132N -0.06 2.83 -2.56 4.33 0.00 -1.26 -4.87 117.12 115.54 1sdd n MET 2132Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.39 1sdd n MET 2132Cb 0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 33.22 32.51 1sdd n MET 2132CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1sdd s VAL 2133N -1.12 4.62 0.71 3.17 -7.23 -1.26 -5.04 120.40 114.25 1sdd s VAL 2133Ca 0.00 1.01 -0.12 0.00 -1.81 0.00 0.00 61.98 61.06 1sdd s VAL 2133Cb 0.00 -3.72 0.02 0.00 0.56 0.00 0.00 36.38 33.24 1sdd s VAL 2133CO 0.00 -0.63 1.09 -1.81 -0.31 0.00 0.00 175.10 173.44 1sdd s ASP 2134N -3.09 4.95 -0.02 4.85 -0.00 -1.26 -4.65 116.67 117.45 1sdd s ASP 2134Ca 0.56 1.83 -0.28 0.00 -0.00 0.00 0.00 52.55 54.66 1sdd s ASP 2134Cb -0.10 -2.53 -0.03 0.00 -0.00 0.00 0.00 42.92 40.26 1sdd s ASP 2134CO 0.31 -1.74 0.90 -0.75 -0.00 0.00 0.00 175.17 173.90 1sdd s LYS 2135N -4.63 4.53 -0.45 8.23 2.47 -0.01 -4.96 119.74 124.92 1sdd s LYS 2135Ca 0.62 1.27 -0.10 0.00 -1.56 0.00 0.00 55.97 56.21 1sdd s LYS 2135Cb -0.17 -3.45 0.10 0.00 -1.46 0.00 0.00 37.83 32.84 1sdd s LYS 2135CO 0.50 -0.01 0.31 0.42 0.16 0.00 0.00 175.35 176.73 1sdd s ILE 2136N 0.92 4.29 -0.14 5.43 1.01 -1.26 -4.27 121.20 127.17 1sdd s ILE 2136Ca 0.48 -1.56 -0.21 0.00 0.00 0.00 0.00 60.65 59.35 1sdd s ILE 2136Cb -0.20 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1sdd s ILE 2136CO 0.25 -0.64 0.63 -0.36 0.00 0.00 0.00 174.94 174.82 1sdd s PHE 2137N 1.41 3.46 0.04 3.97 2.99 -1.09 -4.96 117.98 123.79 1sdd s PHE 2137Ca 0.04 1.02 -0.31 0.00 0.00 0.00 0.00 56.93 57.69 1sdd s PHE 2137Cb -0.25 -2.76 -0.06 0.00 0.00 0.00 0.00 43.02 39.95 1sdd s PHE 2137CO 0.01 -0.04 1.35 -1.21 -0.00 0.00 0.00 175.22 175.33 1sdd s GLU 2138N 1.36 4.33 0.00 0.44 2.02 -1.26 -2.78 118.70 122.81 1sdd s GLU 2138Ca 0.31 1.94 0.00 0.00 0.02 0.00 0.00 54.97 57.24 1sdd s GLU 2138Cb -0.16 -3.44 0.00 0.00 0.10 0.00 0.00 34.13 30.63 1sdd s GLU 2138CO 0.12 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.35 1sdd n GLY 2139N 3.50 1.68 3.89 -1.39 0.00 -0.57 -4.93 105.19 107.38 1sdd n GLY 2139Ca 0.12 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 1sdd n GLY 2139CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sdd s ASN 2140N -1.00 6.05 -0.13 1.61 2.20 -1.22 -4.93 114.94 117.52 1sdd s ASN 2140Ca 0.00 1.06 0.18 0.00 -0.94 0.00 0.00 52.86 53.17 1sdd s ASN 2140Cb 0.00 -2.19 0.29 0.00 -2.00 0.00 0.00 41.25 37.35 1sdd s ASN 2140CO 0.00 -0.84 1.15 -0.46 -2.94 0.00 0.00 177.10 174.02 1sdd n ASN 2141N -2.55 2.39 -3.78 3.54 6.94 -1.26 -4.43 115.26 116.10 1sdd n ASN 2141Ca 0.04 -3.05 -0.06 0.00 -0.02 0.00 0.00 54.58 51.49 1sdd n ASN 2141Cb 0.55 -0.42 -0.02 0.00 -2.36 0.00 0.00 39.78 37.54 1sdd n ASN 2141CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1sdd s ASN 2142N -2.78 -0.25 0.12 0.53 2.20 -1.26 -5.09 114.94 108.41 1sdd s ASN 2142Ca 0.31 -0.47 -0.16 0.00 -0.94 0.00 0.00 52.86 51.60 1sdd s ASN 2142Cb 0.27 0.61 -0.03 0.00 -2.00 0.00 0.00 41.25 40.10 1sdd s ASN 2142CO 0.03 -1.12 1.58 -0.37 -2.94 0.00 0.00 177.10 174.28 1sdd h VAL 2143N 2.00 1.25 0.00 3.54 -1.51 -1.92 -3.39 116.25 116.22 1sdd h VAL 2143Ca -0.22 -0.89 -0.28 0.00 -1.23 0.00 0.00 66.70 64.08 1sdd h VAL 2143Cb 1.25 1.12 -0.05 0.00 -2.13 0.00 0.00 31.29 31.47 1sdd h VAL 2143CO 0.25 0.30 -2.14 0.54 -1.23 0.00 0.00 177.57 175.29 1sdd n ARG 2144N -4.54 1.14 -1.54 5.19 1.74 -1.26 -2.75 116.66 114.64 1sdd n ARG 2144Ca -0.01 -0.02 -0.37 0.00 -0.77 0.00 0.00 57.85 56.68 1sdd n ARG 2144Cb 0.24 -1.44 0.07 0.00 -1.02 0.00 0.00 32.46 30.32 1sdd n ARG 2144CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sdd n GLY 2145N 1.90 -0.13 3.93 -0.13 0.00 -1.26 -4.78 105.19 104.72 1sdd n GLY 2145Ca -0.25 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 1sdd n GLY 2145CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sdd s HIS 2146N -1.61 3.49 -0.08 1.61 3.76 0.36 -4.47 115.29 118.35 1sdd s HIS 2146Ca 0.77 0.26 -0.03 0.00 -0.15 0.00 0.00 55.06 55.90 1sdd s HIS 2146Cb -0.38 -1.78 0.04 0.00 1.11 0.00 0.00 32.58 31.58 1sdd s HIS 2146CO 0.46 0.45 0.17 0.08 -0.85 0.00 0.00 174.74 175.05 1sdd s VAL 2147N -1.79 -0.15 -0.12 -0.90 1.01 -1.14 -4.24 120.40 113.07 1sdd s VAL 2147Ca 0.37 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.56 1sdd s VAL 2147Cb -0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1sdd s VAL 2147CO 0.29 0.10 0.02 -0.75 0.00 0.00 0.00 175.10 174.76 1sdd s LYS 2148N 1.66 3.37 -0.04 2.72 2.20 -1.26 -1.73 119.74 126.65 1sdd s LYS 2148Ca -0.04 -0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.22 1sdd s LYS 2148Cb -0.12 -2.94 -0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1sdd s LYS 2148CO -0.06 0.53 -0.17 -0.80 -0.36 0.00 0.00 175.35 174.49 1sdd s ASN 2149N -0.39 2.13 0.04 1.43 0.01 -0.10 -4.99 114.94 113.07 1sdd s ASN 2149Ca 0.08 -0.35 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 1sdd s ASN 2149Cb -0.12 -0.56 -0.04 0.00 0.41 0.00 0.00 41.25 40.94 1sdd s ASN 2149CO 0.02 0.16 -0.00 -0.36 -1.51 0.00 0.00 177.10 175.40 1sdd s PHE 2150N -0.00 3.03 -0.47 2.20 0.08 -1.26 -0.76 117.98 120.80 1sdd s PHE 2150Ca -0.03 0.03 -0.16 0.00 0.12 0.00 0.00 56.93 56.89 1sdd s PHE 2150Cb -0.11 -1.61 0.06 0.00 -0.57 0.00 0.00 43.02 40.79 1sdd s PHE 2150CO 0.02 0.46 0.42 -0.06 -0.10 0.00 0.00 175.22 175.96 1sdd s PHE 2151N -1.18 3.21 0.04 0.36 0.08 -0.37 -4.96 117.98 115.16 1sdd s PHE 2151Ca 0.22 -0.82 -0.09 0.00 0.12 0.00 0.00 56.93 56.36 1sdd s PHE 2151Cb -0.12 -3.16 -0.03 0.00 -0.57 0.00 0.00 43.02 39.15 1sdd s PHE 2151CO 0.14 -0.81 1.15 -0.91 -0.10 0.00 0.00 175.22 174.69 1sdd h ASN 2152N 8.78 -0.55 -3.48 1.36 2.35 -1.97 -3.20 115.58 118.88 1sdd h ASN 2152Ca -0.28 0.08 -0.61 0.00 -0.55 0.00 0.00 56.30 54.94 1sdd h ASN 2152Cb 1.11 0.23 -0.11 0.00 0.05 0.00 0.00 38.32 39.60 1sdd h ASN 2152CO 0.87 -0.10 0.13 -2.84 -1.65 0.00 0.00 177.43 173.85 1sdd s PRO 2153N -3.73 4.12 1.00 0.81 0.02 -1.26 -5.02 135.00 130.94 1sdd s PRO 2153Ca -0.04 0.54 -0.15 0.00 0.02 0.00 0.00 61.00 61.37 1sdd s PRO 2153Cb 0.03 -3.64 0.02 0.00 0.02 0.00 0.00 34.50 30.93 1sdd s PRO 2153CO 0.17 -0.37 0.10 -2.30 -0.33 0.00 0.00 177.00 174.27 1sdd n PRO 2154N 5.57 -0.55 -4.00 5.54 -0.02 -1.21 -4.98 135.00 135.36 1sdd n PRO 2154Ca -0.01 -0.13 -0.35 0.00 -2.02 0.00 0.00 63.50 60.99 1sdd n PRO 2154Cb 0.49 -1.69 -0.10 0.00 -0.02 0.00 0.00 33.50 32.18 1sdd n PRO 2154CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1sdd s ILE 2155N -2.30 4.76 -0.35 4.25 1.01 -0.49 -4.92 121.20 123.16 1sdd s ILE 2155Ca 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.15 1sdd s ILE 2155Cb -0.17 -3.15 0.09 0.00 0.01 0.00 0.00 42.46 39.23 1sdd s ILE 2155CO 0.69 0.45 0.08 -0.63 0.00 0.00 0.00 174.94 175.53 1sdd s ILE 2156N 0.43 2.78 0.00 2.92 -1.09 -1.26 -0.33 121.20 124.64 1sdd s ILE 2156Ca 0.03 -1.98 0.00 0.00 -2.23 0.00 0.00 60.65 56.47 1sdd s ILE 2156Cb -0.13 -2.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 1sdd s ILE 2156CO 0.00 -0.48 0.00 -1.54 -1.23 0.00 0.00 174.94 171.70 1sdd n SER 2157N 4.47 0.00 -0.00 3.58 3.41 -1.15 -4.92 113.62 119.01 1sdd n SER 2157Ca -0.04 -0.98 -0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1sdd n SER 2157Cb 0.42 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1sdd n SER 2157CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1sdd n ARG 2158N 0.00 2.27 -5.02 4.33 0.63 -0.62 -0.30 116.66 117.94 1sdd n ARG 2158Ca 0.00 -0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.60 1sdd n ARG 2158Cb 0.00 -1.02 -0.15 0.00 0.45 0.00 0.00 32.46 31.74 1sdd n ARG 2158CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1sdd s PHE 2159N -2.04 2.63 -0.02 -0.14 0.08 0.10 -0.46 117.98 118.13 1sdd s PHE 2159Ca -0.00 -0.61 0.05 0.00 0.12 0.00 0.00 56.93 56.48 1sdd s PHE 2159Cb 0.00 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.75 1sdd s PHE 2159CO 0.04 -0.15 -0.16 0.42 -0.10 0.00 0.00 175.22 175.27 1sdd s ILE 2160N -0.07 1.28 -0.06 0.64 -1.09 -1.10 -1.43 121.20 119.38 1sdd s ILE 2160Ca -0.04 -0.67 0.03 0.00 -2.23 0.00 0.00 60.65 57.73 1sdd s ILE 2160Cb -0.14 -1.08 0.01 0.00 -1.58 0.00 0.00 42.46 39.66 1sdd s ILE 2160CO 0.04 0.37 -0.14 -0.13 -1.23 0.00 0.00 174.94 173.85 1sdd s ARG 2161N -0.20 1.74 -0.22 2.79 0.52 0.16 -1.63 118.95 122.11 1sdd s ARG 2161Ca 0.02 -0.47 -0.07 0.00 -0.52 0.00 0.00 55.73 54.69 1sdd s ARG 2161Cb -0.08 -1.44 -0.04 0.00 0.52 0.00 0.00 34.95 33.91 1sdd s ARG 2161CO 0.00 0.08 0.07 0.42 0.02 0.00 0.00 175.30 175.90 1sdd s ILE 2162N 0.50 4.56 -0.55 1.52 1.09 0.51 -1.88 121.20 126.95 1sdd s ILE 2162Ca -0.12 -0.10 -0.03 0.00 -1.10 0.00 0.00 60.65 59.30 1sdd s ILE 2162Cb -0.15 -3.10 0.14 0.00 -1.06 0.00 0.00 42.46 38.30 1sdd s ILE 2162CO 0.04 0.39 0.36 -0.63 -0.10 0.00 0.00 174.94 175.00 1sdd s ILE 2163N 1.06 3.59 0.22 2.92 -1.09 0.24 -2.36 121.20 125.78 1sdd s ILE 2163Ca 0.04 -2.65 -0.32 0.00 -2.23 0.00 0.00 60.65 55.50 1sdd s ILE 2163Cb -0.14 -3.38 -0.14 0.00 -1.58 0.00 0.00 42.46 37.22 1sdd s ILE 2163CO 0.03 -0.82 1.36 -2.65 -1.23 0.00 0.00 174.94 171.63 1sdd n PRO 2164N 3.87 1.82 -0.01 2.79 -0.02 -1.26 -2.39 135.00 139.81 1sdd n PRO 2164Ca 0.04 0.65 -0.01 0.00 -2.02 0.00 0.00 63.50 62.16 1sdd n PRO 2164Cb 0.39 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1sdd n PRO 2164CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1sdd n LYS 2165N 2.06 3.54 -3.73 -0.52 4.01 0.55 -4.71 118.16 119.36 1sdd n LYS 2165Ca 0.13 -0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.83 1sdd n LYS 2165Cb 0.29 -1.03 -0.05 0.00 -0.51 0.00 0.00 35.03 33.72 1sdd n LYS 2165CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1sdd s THR 2166N -2.04 0.09 0.00 -0.18 -1.32 -1.18 -4.96 115.64 106.06 1sdd s THR 2166Ca -0.01 -0.84 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 1sdd s THR 2166Cb 0.00 -1.30 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 1sdd s THR 2166CO 0.05 -0.40 0.00 -2.67 -2.21 0.00 0.00 174.62 169.40 1sdd n TRP 2167N -0.18 -0.33 -3.73 9.09 2.14 -1.26 -0.77 117.44 122.40 1sdd n TRP 2167Ca -0.15 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.20 1sdd n TRP 2167Cb 0.63 0.00 -0.18 0.00 -0.81 0.00 0.00 31.31 30.96 1sdd n TRP 2167CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 1sdd s ASN 2168N 0.49 1.68 0.00 -0.67 3.04 -0.82 -4.75 114.94 113.90 1sdd s ASN 2168Ca 0.00 -0.16 0.00 0.00 0.04 0.00 0.00 52.86 52.74 1sdd s ASN 2168Cb 0.00 -0.37 0.00 0.00 -1.54 0.00 0.00 41.25 39.34 1sdd s ASN 2168CO 0.00 -0.23 0.00 0.00 -3.04 0.00 0.00 177.10 173.83 1sdd n GLN 2169N 5.19 0.00 -3.56 0.43 1.13 -1.26 -2.91 117.38 116.39 1sdd n GLN 2169Ca -0.06 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.85 1sdd n GLN 2169Cb 0.50 -0.12 -0.06 0.00 0.11 0.00 0.00 30.24 30.67 1sdd n GLN 2169CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1sdd s SER 2170N 0.00 -0.60 -0.62 1.08 0.01 -1.26 -5.04 113.70 107.26 1sdd s SER 2170Ca 0.00 0.80 -0.25 0.00 1.31 0.00 0.00 55.95 57.81 1sdd s SER 2170Cb 0.00 0.69 0.04 0.00 0.21 0.00 0.00 66.02 66.97 1sdd s SER 2170CO 0.00 -0.45 1.06 -0.63 0.41 0.00 0.00 173.24 173.63 1sdd s ILE 2171N -0.77 4.17 0.10 1.44 1.01 -1.26 -2.57 121.20 123.33 1sdd s ILE 2171Ca -0.06 0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.88 1sdd s ILE 2171Cb -0.01 -4.69 -0.04 0.00 0.01 0.00 0.00 42.46 37.73 1sdd s ILE 2171CO 0.05 -1.40 -0.10 0.00 0.00 0.00 0.00 174.94 173.50 1sdd s ALA 2172N 4.53 1.14 0.10 9.38 0.00 -1.25 -0.18 121.76 135.47 1sdd s ALA 2172Ca 0.31 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 1sdd s ALA 2172Cb -0.12 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1sdd s ALA 2172CO 0.17 -0.07 0.31 -0.51 0.00 0.00 0.00 175.76 175.65 1sdd s LEU 2173N -2.63 0.86 -0.24 0.00 1.43 0.46 -3.58 118.68 114.97 1sdd s LEU 2173Ca 0.08 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1sdd s LEU 2173Cb -0.01 1.47 0.12 0.00 0.03 0.00 0.00 46.19 47.80 1sdd s LEU 2173CO -0.01 -0.77 0.47 -0.13 0.23 0.00 0.00 176.35 176.14 1sdd s ARG 2174N -3.66 0.41 0.25 1.70 0.52 -0.65 -0.91 118.95 116.60 1sdd s ARG 2174Ca 0.03 0.95 0.01 0.00 -0.52 0.00 0.00 55.73 56.19 1sdd s ARG 2174Cb 0.03 0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.67 1sdd s ARG 2174CO -0.10 -0.42 0.22 -0.48 0.02 0.00 0.00 175.30 174.53 1sdd s LEU 2175N 2.67 1.30 -0.09 2.53 0.05 -0.49 -0.25 118.68 124.41 1sdd s LEU 2175Ca 0.05 -1.50 -0.15 0.00 0.05 0.00 0.00 54.13 52.59 1sdd s LEU 2175Cb -0.13 0.57 0.03 0.00 -2.05 0.00 0.00 46.19 44.61 1sdd s LEU 2175CO -0.16 -0.96 0.38 -0.70 -0.55 0.00 0.00 176.35 174.36 1sdd s GLU 2176N -3.85 0.57 0.39 1.48 2.56 -0.86 -0.72 118.70 118.27 1sdd s GLU 2176Ca 0.38 0.26 0.08 0.00 0.00 0.00 0.00 54.97 55.69 1sdd s GLU 2176Cb 0.05 0.27 -0.02 0.00 2.00 0.00 0.00 34.13 36.42 1sdd s GLU 2176CO 0.18 -0.12 0.36 -0.51 -0.56 0.00 0.00 175.26 174.61 1sdd s LEU 2177N -0.43 3.47 -0.02 2.70 1.43 -1.26 -0.82 118.68 123.74 1sdd s LEU 2177Ca -0.06 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1sdd s LEU 2177Cb -0.03 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1sdd s LEU 2177CO 0.02 -0.57 0.06 -0.36 0.23 0.00 0.00 176.35 175.74 1sdd s PHE 2178N -2.41 -0.06 -3.98 0.29 0.40 -0.44 -2.61 117.98 109.17 1sdd s PHE 2178Ca 0.46 0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.97 1sdd s PHE 2178Cb -0.04 -0.01 0.00 0.00 0.51 0.00 0.00 43.02 43.47 1sdd s PHE 2178CO 0.28 -0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.56 1sdd n GLY 2179N 3.26 -1.22 3.36 4.36 0.00 -0.63 0.13 105.19 114.45 1sdd n GLY 2179Ca -0.15 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 1sdd n GLY 2179CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdd s ASP 2181N -3.20 3.09 0.00 0.00 -0.00 -1.26 -1.23 116.67 114.06 1sdd s ASP 2181Ca 0.34 1.47 0.00 0.00 -0.00 0.00 0.00 52.55 54.36 1sdd s ASP 2181Cb 0.03 -2.14 0.00 0.00 -0.00 0.00 0.00 42.92 40.81 1sdd s ASP 2181CO 0.17 -2.88 0.29 0.80 -0.00 0.00 0.00 175.17 173.56