#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0e n GLY 2 N 0.00 5.42 0.00 0.00 0.00 -1.23 -4.60 105.19 104.78 1j0e n GLY 2 Ca 0.00 -1.21 0.13 0.00 0.00 0.00 0.00 46.02 44.95 1j0e n GLY 2 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1j0e n VAL 3 N 0.00 0.00 0.32 1.61 3.14 -1.26 -3.57 118.33 118.57 1j0e n VAL 3 Ca 0.00 -0.00 0.20 0.00 -2.96 0.00 0.00 64.34 61.58 1j0e n VAL 3 Cb 0.00 -0.28 1.04 0.00 -1.06 0.00 0.00 33.84 33.54 1j0e n VAL 3 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1j0e h ALA 4 N 3.00 1.06 0.00 1.55 0.00 -1.96 -2.11 119.26 120.80 1j0e h ALA 4 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j0e h ALA 4 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1j0e h ALA 4 CO 0.00 0.01 0.00 0.36 0.00 0.00 0.00 179.25 179.62 1j0e n LYS 5 N -3.19 0.28 -4.56 0.00 2.85 -1.23 -4.74 118.16 107.57 1j0e n LYS 5 Ca -0.02 0.10 -0.34 0.00 -1.05 0.00 0.00 58.31 57.00 1j0e n LYS 5 Cb 0.14 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 32.91 1j0e n LYS 5 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1j0e s PHE 6 N -2.56 3.00 0.51 5.58 0.08 -0.79 -5.10 117.98 118.70 1j0e s PHE 6 Ca 0.19 0.07 -0.23 0.00 0.12 0.00 0.00 56.93 57.08 1j0e s PHE 6 Cb 0.13 -1.73 -0.06 0.00 -0.57 0.00 0.00 43.02 40.79 1j0e s PHE 6 CO 0.30 0.37 1.33 0.00 -0.10 0.00 0.00 175.22 177.11 1j0e s ALA 7 N -0.83 2.91 -0.03 5.36 0.00 -1.26 -5.03 121.76 122.89 1j0e s ALA 7 Ca 0.13 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.36 1j0e s ALA 7 Cb -0.11 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.50 1j0e s ALA 7 CO 0.02 -1.19 -0.02 0.21 0.00 0.00 0.00 175.76 174.77 1j0e s LYS 8 N -2.79 0.45 -0.31 0.00 2.20 -1.26 -4.63 119.74 113.40 1j0e s LYS 8 Ca 0.68 -0.03 -0.02 0.00 -0.36 0.00 0.00 55.97 56.23 1j0e s LYS 8 Cb -0.38 -0.53 0.05 0.00 -1.51 0.00 0.00 37.83 35.46 1j0e s LYS 8 CO 0.46 -0.06 0.03 -0.47 -0.36 0.00 0.00 175.35 174.95 1j0e s TYR 9 N 0.68 3.29 0.17 4.03 6.14 -0.19 -5.01 117.35 126.46 1j0e s TYR 9 Ca -0.07 -1.84 -0.32 0.00 0.64 0.00 0.00 57.07 55.48 1j0e s TYR 9 Cb -0.11 -2.21 -0.11 0.00 0.42 0.00 0.00 41.96 39.95 1j0e s TYR 9 CO -0.01 -0.80 1.76 -1.25 0.64 0.00 0.00 175.55 175.89 1j0e s PRO 10 N 1.27 4.13 0.00 4.97 0.04 -1.26 -4.46 135.00 139.69 1j0e s PRO 10 Ca -0.04 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1j0e s PRO 10 Cb -0.20 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1j0e s PRO 10 CO -0.01 -0.78 0.24 1.28 0.04 0.00 0.00 177.00 177.77 1j0e n LEU 11 N 4.63 0.48 -4.60 -3.56 4.77 -1.26 -5.06 117.00 112.40 1j0e n LEU 11 Ca 0.17 -0.61 -0.27 0.00 -0.03 0.00 0.00 56.01 55.27 1j0e n LEU 11 Cb 0.36 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1j0e n LEU 11 CO 0.64 0.12 -0.32 0.42 -1.33 0.00 0.00 177.39 176.93 1j0e s THR 12 N -0.25 2.14 -0.66 -5.08 -4.23 -1.26 -4.64 115.64 101.65 1j0e s THR 12 Ca 0.00 -2.06 0.23 0.00 -1.18 0.00 0.00 61.69 58.68 1j0e s THR 12 Cb 0.00 -2.86 0.23 0.00 1.34 0.00 0.00 72.50 71.21 1j0e s THR 12 CO 0.00 -0.08 1.69 0.49 -0.54 0.00 0.00 174.62 176.18 1j0e n PHE 13 N -0.92 0.63 0.00 3.99 3.72 0.01 -4.99 117.46 119.89 1j0e n PHE 13 Ca -0.05 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1j0e n PHE 13 Cb 0.65 -0.87 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 1j0e n PHE 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j0e n GLY 14 N 0.34 0.72 3.59 1.37 0.00 -1.26 -5.06 105.19 104.89 1j0e n GLY 14 Ca 0.03 -2.11 -0.54 0.00 0.00 0.00 0.00 46.02 43.40 1j0e n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j0e n PRO 15 N 0.00 0.93 -2.43 1.61 -0.02 -1.26 -4.89 135.00 128.94 1j0e n PRO 15 Ca 0.00 0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 61.46 1j0e n PRO 15 Cb 0.00 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 1j0e n PRO 15 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1j0e s SER 16 N 0.65 6.22 0.75 2.55 1.04 -1.26 -5.01 113.70 118.65 1j0e s SER 16 Ca 0.87 2.07 -0.11 0.00 0.48 0.00 0.00 55.95 59.26 1j0e s SER 16 Cb -1.03 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 62.56 1j0e s SER 16 CO 0.50 -0.87 1.08 -2.16 0.98 0.00 0.00 173.24 172.77 1j0e s PRO 17 N -3.04 2.44 -0.17 4.02 0.04 -1.26 -4.76 135.00 132.27 1j0e s PRO 17 Ca 0.67 0.85 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 1j0e s PRO 17 Cb -0.21 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1j0e s PRO 17 CO 0.25 -1.42 -0.15 0.42 0.04 0.00 0.00 177.00 176.14 1j0e s ILE 18 N -3.06 2.61 0.16 0.56 1.01 -1.26 -1.13 121.20 120.08 1j0e s ILE 18 Ca 0.60 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 1j0e s ILE 18 Cb -0.15 -2.11 -0.07 0.00 0.01 0.00 0.00 42.46 40.15 1j0e s ILE 18 CO 0.55 0.51 0.48 -0.44 0.00 0.00 0.00 174.94 176.04 1j0e s SER 19 N 1.01 6.66 -0.43 3.58 0.01 0.28 -4.89 113.70 119.92 1j0e s SER 19 Ca -0.02 0.88 -0.11 0.00 1.31 0.00 0.00 55.95 58.01 1j0e s SER 19 Cb -0.15 -2.21 0.08 0.00 0.21 0.00 0.00 66.02 63.95 1j0e s SER 19 CO -0.03 0.05 0.29 0.21 0.41 0.00 0.00 173.24 174.17 1j0e s ASN 20 N -2.05 5.77 -0.93 2.44 3.04 -1.26 -0.85 114.94 121.10 1j0e s ASN 20 Ca 0.40 -1.45 -0.04 0.00 0.04 0.00 0.00 52.86 51.81 1j0e s ASN 20 Cb -0.13 -2.04 0.11 0.00 -1.54 0.00 0.00 41.25 37.65 1j0e s ASN 20 CO 0.20 -0.56 2.52 0.18 -3.04 0.00 0.00 177.10 176.40 1j0e n LEU 21 N 4.99 7.34 -0.34 3.21 4.77 -0.64 -4.70 117.00 131.63 1j0e n LEU 21 Ca -0.11 -4.56 -0.01 0.00 -0.03 0.00 0.00 56.01 51.31 1j0e n LEU 21 Cb 0.43 -1.29 0.12 0.00 -2.33 0.00 0.00 43.42 40.35 1j0e n LEU 21 CO 0.41 1.92 1.25 -0.55 -1.33 0.00 0.00 177.39 179.09 1j0e h ASN 22 N 3.86 1.01 -0.68 -1.43 -1.07 -1.94 -1.23 115.58 114.10 1j0e h ASN 22 Ca 0.56 -0.01 -0.02 0.00 0.07 0.00 0.00 56.30 56.90 1j0e h ASN 22 Cb 0.48 -0.23 -0.03 0.00 -2.07 0.00 0.00 38.32 36.46 1j0e h ASN 22 CO 1.20 0.69 0.35 -0.09 0.07 0.00 0.00 177.43 179.66 1j0e h ARG 23 N 1.18 0.99 -0.17 4.14 2.43 -1.88 0.12 114.38 121.18 1j0e h ARG 23 Ca 0.37 -0.13 -0.20 0.00 -0.81 0.00 0.00 59.98 59.21 1j0e h ARG 23 Cb -0.00 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1j0e h ARG 23 CO -0.12 0.76 -0.68 1.25 -1.51 0.00 0.00 179.97 179.67 1j0e h LEU 24 N 0.99 0.81 -0.33 3.80 5.85 -1.72 -1.80 115.31 122.91 1j0e h LEU 24 Ca 0.24 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1j0e h LEU 24 Cb 0.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1j0e h LEU 24 CO -0.03 1.27 0.20 0.28 -0.34 0.00 0.00 178.44 179.81 1j0e h SER 25 N 0.50 0.32 -0.40 1.25 0.02 -0.57 0.16 113.55 114.84 1j0e h SER 25 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1j0e h SER 25 Cb 1.28 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 1j0e h SER 25 CO 0.14 0.24 0.19 1.56 -1.14 0.00 0.00 176.83 177.81 1j0e h GLN 26 N 0.40 0.57 -0.52 3.45 4.20 -0.75 0.26 115.11 122.72 1j0e h GLN 26 Ca 0.13 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1j0e h GLN 26 Cb -0.01 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1j0e h GLN 26 CO -0.06 0.50 0.31 1.25 -0.67 0.00 0.00 178.83 180.15 1j0e h HIS 27 N 0.50 0.68 -0.16 2.96 2.76 -0.95 -1.48 115.15 119.46 1j0e h HIS 27 Ca 0.14 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1j0e h HIS 27 Cb 0.11 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 1j0e h HIS 27 CO -0.01 0.46 0.01 1.28 -1.30 0.00 0.00 177.93 178.37 1j0e n LEU 28 N -4.42 2.40 0.00 0.26 4.77 0.01 -4.82 117.00 115.20 1j0e n LEU 28 Ca 0.05 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 1j0e n LEU 28 Cb 0.08 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1j0e n LEU 28 CO 0.36 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1j0e n GLY 29 N 0.17 0.72 1.96 -0.72 0.00 -0.57 -4.24 105.19 102.50 1j0e n GLY 29 Ca 0.08 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 1j0e n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j0e n SER 30 N 0.89 -2.37 0.18 1.61 7.64 0.06 -4.78 113.62 116.84 1j0e n SER 30 Ca 0.00 0.24 0.07 0.00 1.01 0.00 0.00 58.87 60.19 1j0e n SER 30 Cb 0.00 -2.26 0.25 0.00 -1.01 0.00 0.00 64.21 61.19 1j0e n SER 30 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1j0e h LYS 31 N 0.00 0.00 -3.76 1.43 1.57 -1.74 -3.44 116.57 110.63 1j0e h LYS 31 Ca -0.17 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1j0e h LYS 31 Cb 0.77 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.97 1j0e h LYS 31 CO 0.23 0.34 -0.23 0.14 -0.57 0.00 0.00 179.45 179.36 1j0e s VAL 32 N -3.34 0.05 -0.39 0.50 -7.23 -1.26 -1.92 120.40 106.81 1j0e s VAL 32 Ca 0.02 -1.29 -0.07 0.00 -1.81 0.00 0.00 61.98 58.83 1j0e s VAL 32 Cb 0.09 -1.86 0.07 0.00 0.56 0.00 0.00 36.38 35.23 1j0e s VAL 32 CO 0.69 -0.21 0.19 0.20 -0.31 0.00 0.00 175.10 175.66 1j0e s ASN 33 N -2.96 5.46 -0.17 4.85 0.01 0.15 -4.75 114.94 117.54 1j0e s ASN 33 Ca 0.17 -1.42 -0.19 0.00 -0.71 0.00 0.00 52.86 50.71 1j0e s ASN 33 Cb 0.02 -1.92 -0.04 0.00 0.41 0.00 0.00 41.25 39.72 1j0e s ASN 33 CO 0.01 -0.45 0.52 -0.69 -1.51 0.00 0.00 177.10 174.97 1j0e s VAL 34 N 1.38 5.13 0.27 1.60 1.01 -1.26 -0.16 120.40 128.37 1j0e s VAL 34 Ca 0.02 0.98 0.11 0.00 0.00 0.00 0.00 61.98 63.08 1j0e s VAL 34 Cb -0.22 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1j0e s VAL 34 CO 0.02 0.23 -0.09 -0.31 0.00 0.00 0.00 175.10 174.94 1j0e s TYR 35 N 1.28 2.50 -0.16 5.22 1.51 0.82 -1.62 117.35 126.90 1j0e s TYR 35 Ca 0.25 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1j0e s TYR 35 Cb -0.15 -1.10 0.05 0.00 -0.11 0.00 0.00 41.96 40.64 1j0e s TYR 35 CO 0.10 0.66 0.02 0.00 -1.11 0.00 0.00 175.55 175.22 1j0e s ALA 36 N -2.41 0.95 -0.17 3.71 0.00 -0.03 -0.51 121.76 123.29 1j0e s ALA 36 Ca 0.31 -0.54 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 1j0e s ALA 36 Cb -0.06 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.02 1j0e s ALA 36 CO 0.18 -0.93 1.02 0.21 0.00 0.00 0.00 175.76 176.23 1j0e s LYS 37 N 1.88 4.34 -1.22 0.00 2.20 -0.25 -0.55 119.74 126.14 1j0e s LYS 37 Ca 0.01 1.37 -0.12 0.00 -0.36 0.00 0.00 55.97 56.87 1j0e s LYS 37 Cb -0.15 -3.59 0.18 0.00 -1.51 0.00 0.00 37.83 32.75 1j0e s LYS 37 CO -0.07 -0.47 1.52 0.54 -0.36 0.00 0.00 175.35 176.50 1j0e n ARG 38 N 5.67 3.45 0.23 4.03 5.12 -0.28 -1.29 116.66 133.58 1j0e n ARG 38 Ca 0.10 -3.82 0.15 0.00 -1.93 0.00 0.00 57.85 52.36 1j0e n ARG 38 Cb 0.47 -2.99 0.62 0.00 -1.16 0.00 0.00 32.46 29.41 1j0e n ARG 38 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1j0e h GLU 39 N 6.79 0.00 0.00 5.56 4.39 -1.46 -1.79 114.58 128.08 1j0e h GLU 39 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1j0e h GLU 39 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1j0e h GLU 39 CO 1.32 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.77 1j0e n ASP 40 N -2.79 0.00 -0.91 1.42 5.75 -1.07 -2.94 116.55 116.02 1j0e n ASP 40 Ca 0.01 -1.06 0.04 0.00 -0.01 0.00 0.00 54.79 53.77 1j0e n ASP 40 Cb 0.28 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.43 1j0e n ASP 40 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j0e n ASN 42 N -0.15 0.52 -3.57 0.00 6.94 -1.20 -4.88 115.26 112.92 1j0e n ASN 42 Ca 0.08 -0.30 -0.11 0.00 -0.02 0.00 0.00 54.58 54.23 1j0e n ASN 42 Cb 0.89 0.10 -0.04 0.00 -2.36 0.00 0.00 39.78 38.37 1j0e n ASN 42 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1j0e s SER 43 N -2.86 -0.33 0.09 0.53 0.15 -1.26 -0.81 113.70 109.21 1j0e s SER 43 Ca 0.16 -0.22 0.25 0.00 0.70 0.00 0.00 55.95 56.84 1j0e s SER 43 Cb 0.18 0.51 0.46 0.00 -1.71 0.00 0.00 66.02 65.46 1j0e s SER 43 CO 0.62 -0.88 1.40 0.61 1.20 0.00 0.00 173.24 176.20 1j0e n GLY 44 N -0.25 -1.40 3.56 9.45 0.00 -1.26 -4.02 105.19 111.28 1j0e n GLY 44 Ca -0.16 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 1j0e n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j0e s LEU 45 N -3.90 3.15 -1.03 0.99 1.43 -1.26 -4.31 118.68 113.75 1j0e s LEU 45 Ca 0.08 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 52.39 1j0e s LEU 45 Cb 0.15 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.83 1j0e s LEU 45 CO 0.70 -2.80 0.66 0.00 0.23 0.00 0.00 176.35 175.13 1j0e n ALA 46 N 14.23 -2.69 0.00 4.21 0.00 -1.26 -1.60 120.51 133.39 1j0e n ALA 46 Ca 0.40 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1j0e n ALA 46 Cb 0.47 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1j0e n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1j0e n PHE 47 N -3.87 0.00 -3.16 0.00 3.72 -1.26 -4.92 117.46 107.97 1j0e n PHE 47 Ca -0.20 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.27 1j0e n PHE 47 Cb 0.62 -0.22 -0.02 0.00 -0.94 0.00 0.00 39.48 38.93 1j0e n PHE 47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j0e n GLY 48 N -1.86 -1.11 0.00 1.37 0.00 -0.63 -4.61 105.19 98.35 1j0e n GLY 48 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1j0e n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0e n GLY 49 N -1.43 0.30 0.40 -0.02 0.00 -1.15 -4.76 105.19 98.53 1j0e n GLY 49 Ca 0.00 -1.52 0.21 0.00 0.00 0.00 0.00 46.02 44.72 1j0e n GLY 49 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1j0e h ASN 50 N 0.00 0.00 -0.74 1.61 -1.07 -1.21 -2.30 115.58 111.87 1j0e h ASN 50 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.32 1j0e h ASN 50 Cb 0.00 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.22 1j0e h ASN 50 CO 0.00 0.00 0.25 0.11 0.07 0.00 0.00 177.43 177.86 1j0e h LYS 51 N 0.00 1.13 -0.85 4.14 1.79 -1.93 -2.60 116.57 118.25 1j0e h LYS 51 Ca 0.25 -0.23 0.08 0.00 -2.18 0.00 0.00 60.65 58.57 1j0e h LYS 51 Cb 1.12 -0.17 -0.07 0.00 -1.58 0.00 0.00 32.23 31.53 1j0e h LYS 51 CO -0.00 0.95 0.51 -0.07 -1.08 0.00 0.00 179.45 179.76 1j0e h LEU 52 N 1.08 0.77 -0.85 2.94 4.07 -1.80 0.24 115.31 121.76 1j0e h LEU 52 Ca 0.24 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 58.21 1j0e h LEU 52 Cb 0.27 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 1j0e h LEU 52 CO -0.01 0.47 0.43 -0.09 -1.08 0.00 0.00 178.44 178.15 1j0e h ARG 53 N 0.89 1.21 -0.12 1.13 2.43 -1.57 -2.17 114.38 116.19 1j0e h ARG 53 Ca 0.39 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1j0e h ARG 53 Cb 0.26 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1j0e h ARG 53 CO -0.21 0.91 0.01 0.87 -1.51 0.00 0.00 179.97 180.05 1j0e h LYS 54 N 1.20 0.20 0.00 0.20 1.57 -0.91 -3.19 116.57 115.63 1j0e h LYS 54 Ca 0.29 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1j0e h LYS 54 Cb 0.09 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1j0e h LYS 54 CO -0.04 0.41 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.14 1j0e h LEU 55 N -0.04 0.00 -2.07 2.94 3.38 -0.33 -2.89 115.31 116.30 1j0e h LEU 55 Ca 0.04 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1j0e h LEU 55 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1j0e h LEU 55 CO 0.00 0.04 0.23 -0.33 0.09 0.00 0.00 178.44 178.47 1j0e h GLU 56 N 0.00 0.00 -0.02 1.13 5.08 -1.38 0.21 114.58 119.60 1j0e h GLU 56 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j0e h GLU 56 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1j0e h GLU 56 CO 0.00 0.00 -0.08 0.66 -1.00 0.00 0.00 179.01 178.59 1j0e n TYR 57 N -4.24 0.00 -0.10 4.33 4.02 -1.09 -1.02 117.16 119.05 1j0e n TYR 57 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.80 1j0e n TYR 57 Cb 0.38 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.59 1j0e n TYR 57 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1j0e n ILE 58 N 0.48 1.17 -0.30 -0.72 5.41 0.50 -4.61 119.36 121.28 1j0e n ILE 58 Ca 0.15 -0.50 0.13 0.00 1.00 0.00 0.00 62.75 63.53 1j0e n ILE 58 Cb 0.45 -1.09 0.30 0.00 -0.71 0.00 0.00 39.64 38.60 1j0e n ILE 58 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1j0e h VAL 59 N 0.00 0.43 -0.43 1.39 2.07 -1.01 -2.37 116.25 116.33 1j0e h VAL 59 Ca -0.46 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.02 1j0e h VAL 59 Cb 1.78 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 31.51 1j0e h VAL 59 CO -0.05 0.06 -0.39 -0.65 0.02 0.00 0.00 177.57 176.57 1j0e h PRO 60 N 0.34 -0.27 -0.75 1.57 0.11 -1.81 -0.61 132.00 130.57 1j0e h PRO 60 Ca 0.56 0.02 0.15 0.00 0.11 0.00 0.00 66.00 66.84 1j0e h PRO 60 Cb 1.08 0.06 -0.10 0.00 0.11 0.00 0.00 31.00 32.16 1j0e h PRO 60 CO -0.56 -0.18 0.27 0.22 -0.21 0.00 0.00 178.00 177.54 1j0e h ASP 61 N -0.28 0.21 -0.13 -2.05 3.58 -1.73 -0.32 116.42 115.69 1j0e h ASP 61 Ca 0.16 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 1j0e h ASP 61 Cb 0.57 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 1j0e h ASP 61 CO -0.58 0.06 0.06 0.40 -2.88 0.00 0.00 179.24 176.31 1j0e h ILE 62 N 0.39 1.12 -0.47 2.25 2.04 -1.12 -2.83 117.51 118.89 1j0e h ILE 62 Ca 0.42 -0.35 -0.13 0.00 1.00 0.00 0.00 64.86 65.80 1j0e h ILE 62 Cb 0.67 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1j0e h ILE 62 CO -0.43 0.11 -0.23 0.58 0.00 0.00 0.00 178.15 178.18 1j0e h VAL 63 N 0.09 1.27 -0.59 1.67 2.07 -0.48 -3.01 116.25 117.27 1j0e h VAL 63 Ca 0.05 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.09 1j0e h VAL 63 Cb 0.12 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1j0e h VAL 63 CO -0.01 0.48 0.01 -0.08 0.02 0.00 0.00 177.57 177.99 1j0e h GLU 64 N 0.84 1.03 -0.67 1.57 4.81 -1.09 -2.95 114.58 118.11 1j0e h GLU 64 Ca 0.11 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1j0e h GLU 64 Cb 0.80 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1j0e h GLU 64 CO 0.07 1.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.75 1j0e n GLY 65 N -0.48 2.48 2.00 1.92 0.00 -1.07 -5.00 105.19 105.04 1j0e n GLY 65 Ca 0.03 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 1j0e n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j0e n ASP 66 N 0.57 -3.17 -4.95 1.61 2.03 -1.12 -4.95 116.55 106.56 1j0e n ASP 66 Ca 0.21 0.11 -0.21 0.00 0.52 0.00 0.00 54.79 55.42 1j0e n ASP 66 Cb 0.90 -0.81 -0.02 0.00 -0.72 0.00 0.00 41.12 40.47 1j0e n ASP 66 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1j0e s TYR 67 N -0.58 3.40 -0.11 -0.67 1.51 -1.21 -4.99 117.35 114.69 1j0e s TYR 67 Ca 0.06 -0.04 0.17 0.00 -1.01 0.00 0.00 57.07 56.26 1j0e s TYR 67 Cb -0.01 -1.56 -0.25 0.00 -0.11 0.00 0.00 41.96 40.04 1j0e s TYR 67 CO 0.14 0.44 0.20 0.25 -1.11 0.00 0.00 175.55 175.48 1j0e n THR 68 N -1.39 0.73 -4.29 -0.71 -2.24 -0.91 -4.91 114.28 100.56 1j0e n THR 68 Ca -0.09 -0.62 -0.19 0.00 -2.27 0.00 0.00 64.05 60.88 1j0e n THR 68 Cb 0.57 -0.29 -0.15 0.00 -2.10 0.00 0.00 70.33 68.36 1j0e n THR 68 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1j0e s HIS 69 N -2.79 0.77 -0.26 4.78 3.76 -1.22 -0.45 115.29 119.88 1j0e s HIS 69 Ca -0.08 -0.18 -0.12 0.00 -0.15 0.00 0.00 55.06 54.54 1j0e s HIS 69 Cb 0.08 -0.55 -0.05 0.00 1.11 0.00 0.00 32.58 33.17 1j0e s HIS 69 CO 0.75 -0.08 0.23 -0.51 -0.85 0.00 0.00 174.74 174.28 1j0e s LEU 70 N 0.18 4.07 -0.17 0.89 1.43 -0.01 0.23 118.68 125.30 1j0e s LEU 70 Ca -0.02 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1j0e s LEU 70 Cb -0.07 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1j0e s LEU 70 CO 0.00 -0.03 -0.17 -0.69 0.23 0.00 0.00 176.35 175.69 1j0e s VAL 71 N 1.53 2.40 0.11 -1.59 1.01 0.62 -1.29 120.40 123.18 1j0e s VAL 71 Ca 0.09 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1j0e s VAL 71 Cb -0.15 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1j0e s VAL 71 CO 0.08 0.52 0.04 -0.55 0.00 0.00 0.00 175.10 175.19 1j0e s SER 72 N 1.09 0.35 0.09 3.32 0.15 -0.99 0.46 113.70 118.18 1j0e s SER 72 Ca -0.00 -1.13 0.01 0.00 0.70 0.00 0.00 55.95 55.53 1j0e s SER 72 Cb -0.14 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 1j0e s SER 72 CO -0.06 -0.70 -0.04 -0.51 1.20 0.00 0.00 173.24 173.13 1j0e s ILE 73 N -4.01 0.52 -0.71 6.45 2.07 -1.24 -1.76 121.20 122.52 1j0e s ILE 73 Ca 0.19 -1.90 0.00 0.00 -1.41 0.00 0.00 60.65 57.52 1j0e s ILE 73 Cb 0.07 -1.69 0.00 0.00 0.13 0.00 0.00 42.46 40.98 1j0e s ILE 73 CO -0.02 -0.86 0.00 0.61 -1.91 0.00 0.00 174.94 172.76 1j0e n GLY 74 N -0.02 -1.05 2.39 1.50 0.00 -0.48 -4.40 105.19 103.13 1j0e n GLY 74 Ca -0.12 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 1j0e n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0e n GLY 75 N 0.00 -0.63 0.26 -0.02 0.00 -1.26 -0.85 105.19 102.68 1j0e n GLY 75 Ca 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 1j0e n GLY 75 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1j0e h ARG 76 N 0.00 0.85 -0.90 1.61 2.47 -1.80 -2.74 114.38 113.87 1j0e h ARG 76 Ca -0.24 -0.06 -0.50 0.00 -1.26 0.00 0.00 59.98 57.92 1j0e h ARG 76 Cb 0.74 -0.18 -0.28 0.00 -1.65 0.00 0.00 29.97 28.60 1j0e h ARG 76 CO 0.20 0.58 0.55 1.04 0.56 0.00 0.00 179.97 182.90 1j0e n GLN 77 N -4.62 2.29 -1.72 0.04 1.13 -1.26 -4.10 117.38 109.14 1j0e n GLN 77 Ca 0.05 -3.11 -0.42 0.00 -1.94 0.00 0.00 57.00 51.58 1j0e n GLN 77 Cb 0.04 -2.15 0.00 0.00 0.11 0.00 0.00 30.24 28.24 1j0e n GLN 77 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1j0e n SER 78 N -1.10 2.92 -0.01 1.08 2.88 -1.03 -4.77 113.62 113.58 1j0e n SER 78 Ca 0.56 1.18 -0.17 0.00 -1.33 0.00 0.00 58.87 59.10 1j0e n SER 78 Cb 1.40 -1.52 -0.14 0.00 -0.75 0.00 0.00 64.21 63.20 1j0e n SER 78 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1j0e n ASN 79 N 0.48 1.72 -0.11 -3.46 3.02 -1.26 -3.91 115.26 111.73 1j0e n ASN 79 Ca 0.05 0.24 -0.05 0.00 -0.03 0.00 0.00 54.58 54.79 1j0e n ASN 79 Cb 0.38 -0.57 0.01 0.00 -0.61 0.00 0.00 39.78 38.99 1j0e n ASN 79 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1j0e h GLN 80 N 0.05 0.02 -0.22 3.52 5.75 -1.93 -0.67 115.11 121.63 1j0e h GLN 80 Ca -0.40 -0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 57.98 1j0e h GLN 80 Cb 2.03 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.56 1j0e h GLN 80 CO 0.08 0.01 -0.39 1.79 -2.65 0.00 0.00 178.83 177.67 1j0e h THR 81 N 0.02 1.30 -0.25 2.39 1.35 -1.85 -0.51 112.91 115.36 1j0e h THR 81 Ca 0.18 -1.54 -0.08 0.00 -0.55 0.00 0.00 66.41 64.42 1j0e h THR 81 Cb 0.28 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1j0e h THR 81 CO -0.38 0.48 -0.19 -0.09 -0.25 0.00 0.00 175.52 175.10 1j0e h ARG 82 N 0.41 0.45 0.00 4.72 1.12 -1.57 -0.31 114.38 119.20 1j0e h ARG 82 Ca 0.04 -0.14 -0.18 0.00 -1.11 0.00 0.00 59.98 58.59 1j0e h ARG 82 Cb 0.87 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.77 1j0e h ARG 82 CO 0.07 0.62 -0.84 0.52 -3.11 0.00 0.00 179.97 177.23 1j0e h MET 83 N 0.41 0.00 -0.06 0.20 2.86 -0.75 -2.48 114.93 115.12 1j0e h MET 83 Ca 0.07 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.56 1j0e h MET 83 Cb 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1j0e h MET 83 CO 0.04 0.84 -0.65 0.28 1.06 0.00 0.00 176.91 178.48 1j0e h VAL 84 N 0.00 1.40 -0.24 -2.22 2.07 -0.71 -1.38 116.25 115.17 1j0e h VAL 84 Ca -0.01 -2.09 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 1j0e h VAL 84 Cb 1.56 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1j0e h VAL 84 CO 0.11 0.61 0.06 0.00 0.02 0.00 0.00 177.57 178.37 1j0e h ALA 85 N 1.16 0.31 -0.63 1.67 0.00 -0.96 -0.14 119.26 120.68 1j0e h ALA 85 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1j0e h ALA 85 Cb 1.17 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1j0e h ALA 85 CO 0.10 -0.03 0.41 0.00 0.00 0.00 0.00 179.25 179.73 1j0e h ALA 86 N 0.87 0.80 -0.64 0.00 0.00 -1.35 -2.16 119.26 116.78 1j0e h ALA 86 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1j0e h ALA 86 Cb 0.28 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1j0e h ALA 86 CO 0.00 0.23 0.32 1.25 0.00 0.00 0.00 179.25 181.05 1j0e h LEU 87 N 0.85 0.82 -0.38 0.00 5.85 -0.99 -1.37 115.31 120.10 1j0e h LEU 87 Ca 0.23 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1j0e h LEU 87 Cb -0.09 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 1j0e h LEU 87 CO -0.05 0.71 0.20 0.00 -0.34 0.00 0.00 178.44 178.96 1j0e h ALA 88 N 1.15 0.47 0.23 1.25 0.00 -0.70 0.11 119.26 121.77 1j0e h ALA 88 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1j0e h ALA 88 Cb 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1j0e h ALA 88 CO -0.03 -0.15 -0.45 0.00 0.00 0.00 0.00 179.25 178.62 1j0e h ALA 89 N 1.18 -0.87 -1.00 0.00 0.00 -1.11 0.29 119.26 117.75 1j0e h ALA 89 Ca 0.15 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.13 1j0e h ALA 89 Cb 0.04 0.72 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 1j0e h ALA 89 CO -0.09 -1.05 0.60 -0.22 0.00 0.00 0.00 179.25 178.50 1j0e h LYS 90 N -0.76 0.76 -0.00 0.00 1.63 -0.69 0.17 116.57 117.69 1j0e h LYS 90 Ca -0.01 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1j0e h LYS 90 Cb 0.74 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1j0e h LYS 90 CO -0.19 0.51 -0.32 1.28 -3.45 0.00 0.00 179.45 177.27 1j0e n LEU 91 N -4.76 0.32 -0.65 5.20 4.77 0.33 -4.93 117.00 117.29 1j0e n LEU 91 Ca 0.22 0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.32 1j0e n LEU 91 Cb 0.54 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1j0e n LEU 91 CO 0.22 0.08 -0.07 0.61 -1.33 0.00 0.00 177.39 176.90 1j0e n GLY 92 N 1.50 0.23 3.86 -0.72 0.00 0.85 -5.04 105.19 105.87 1j0e n GLY 92 Ca 0.06 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 1j0e n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j0e s LYS 93 N -4.02 2.53 0.54 1.61 3.01 -0.28 -5.02 119.74 118.11 1j0e s LYS 93 Ca 0.00 -1.52 -0.06 0.00 -1.01 0.00 0.00 55.97 53.38 1j0e s LYS 93 Cb 0.00 -2.35 -0.02 0.00 -1.01 0.00 0.00 37.83 34.45 1j0e s LYS 93 CO 0.00 -0.13 0.86 0.15 0.51 0.00 0.00 175.35 176.74 1j0e s LYS 94 N -4.08 3.31 -0.03 1.68 1.02 0.41 -4.39 119.74 117.66 1j0e s LYS 94 Ca 0.46 0.18 -0.00 0.00 0.02 0.00 0.00 55.97 56.63 1j0e s LYS 94 Cb -0.03 -2.30 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 1j0e s LYS 94 CO 0.27 -0.44 0.02 0.00 -0.92 0.00 0.00 175.35 174.28 1j0e s VAL 96 N 1.24 2.78 -0.23 0.00 1.01 -0.41 0.60 120.40 125.39 1j0e s VAL 96 Ca -0.07 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.85 1j0e s VAL 96 Cb -0.13 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.86 1j0e s VAL 96 CO -0.02 0.22 -0.05 -0.76 0.00 0.00 0.00 175.10 174.48 1j0e s LEU 97 N 1.31 3.03 -0.42 3.92 1.43 0.05 -2.35 118.68 125.66 1j0e s LEU 97 Ca 0.00 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 52.28 1j0e s LEU 97 Cb -0.16 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1j0e s LEU 97 CO -0.05 -0.08 0.52 -0.63 0.23 0.00 0.00 176.35 176.34 1j0e s ILE 98 N 1.40 4.99 -0.90 -0.59 -1.09 -0.73 -0.31 121.20 123.98 1j0e s ILE 98 Ca 0.03 -0.11 -0.11 0.00 -2.23 0.00 0.00 60.65 58.24 1j0e s ILE 98 Cb -0.15 -4.09 0.23 0.00 -1.58 0.00 0.00 42.46 36.87 1j0e s ILE 98 CO -0.04 -0.46 0.84 -1.10 -1.23 0.00 0.00 174.94 172.95 1j0e s GLN 99 N 2.41 3.66 1.18 2.79 -1.52 0.06 -1.39 119.66 126.84 1j0e s GLN 99 Ca 0.16 -2.75 -0.16 0.00 -1.95 0.00 0.00 55.36 50.67 1j0e s GLN 99 Cb -0.16 -4.37 0.28 0.00 -0.22 0.00 0.00 33.01 28.55 1j0e s GLN 99 CO 0.15 -1.26 1.04 -1.21 -0.25 0.00 0.00 175.29 173.76 1j0e s GLU 100 N -0.38 -1.06 -1.14 2.91 2.02 -0.03 -2.30 118.70 118.72 1j0e s GLU 100 Ca 0.22 0.45 -0.06 0.00 0.02 0.00 0.00 54.97 55.60 1j0e s GLU 100 Cb -0.11 -1.57 0.27 0.00 0.10 0.00 0.00 34.13 32.82 1j0e s GLU 100 CO -0.08 -3.72 1.54 -3.47 0.02 0.00 0.00 175.26 169.55 1j0e n ASP 101 N -4.85 5.99 0.08 -0.19 2.03 0.21 -3.21 116.55 116.60 1j0e n ASP 101 Ca 0.07 -3.29 0.13 0.00 0.52 0.00 0.00 54.79 52.22 1j0e n ASP 101 Cb 0.57 -1.34 0.46 0.00 -0.72 0.00 0.00 41.12 40.09 1j0e n ASP 101 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1j0e n TRP 102 N 2.21 0.70 -4.28 -0.67 7.02 -1.25 -4.18 117.44 116.99 1j0e n TRP 102 Ca 0.29 0.21 -0.19 0.00 -1.02 0.00 0.00 57.50 56.80 1j0e n TRP 102 Cb 0.35 -0.84 -0.15 0.00 -2.42 0.00 0.00 31.31 28.24 1j0e n TRP 102 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1j0e s VAL 103 N -3.10 0.62 -0.36 -0.99 1.01 -1.26 -4.41 120.40 111.91 1j0e s VAL 103 Ca 0.11 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 1j0e s VAL 103 Cb 0.13 -0.57 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 1j0e s VAL 103 CO 0.56 0.20 1.54 -2.16 0.00 0.00 0.00 175.10 175.24 1j0e s PRO 104 N 0.21 3.54 -0.07 2.72 0.04 -1.26 -4.93 135.00 135.24 1j0e s PRO 104 Ca -0.03 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 1j0e s PRO 104 Cb -0.08 -4.07 -0.05 0.00 0.04 0.00 0.00 34.50 30.34 1j0e s PRO 104 CO 0.00 -1.61 1.66 0.42 0.04 0.00 0.00 177.00 177.51 1j0e s ILE 105 N 5.80 3.59 0.17 0.56 1.01 -1.26 -4.94 121.20 126.13 1j0e s ILE 105 Ca 0.68 0.71 -0.33 0.00 0.00 0.00 0.00 60.65 61.70 1j0e s ILE 105 Cb -0.18 -3.48 -0.13 0.00 0.01 0.00 0.00 42.46 38.69 1j0e s ILE 105 CO 0.32 -0.08 1.64 -2.65 0.00 0.00 0.00 174.94 174.17 1j0e n PRO 106 N 7.20 2.36 -0.33 2.79 -0.02 -1.26 -4.77 135.00 140.97 1j0e n PRO 106 Ca 0.18 0.85 0.20 0.00 -2.02 0.00 0.00 63.50 62.70 1j0e n PRO 106 Cb 0.43 -2.65 0.38 0.00 -0.02 0.00 0.00 33.50 31.64 1j0e n PRO 106 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j0e h GLU 107 N 6.37 0.05 0.00 -0.52 4.57 -2.01 1.03 114.58 124.07 1j0e h GLU 107 Ca -0.44 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1j0e h GLU 107 Cb 1.24 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1j0e h GLU 107 CO 0.91 0.03 0.00 0.00 -1.18 0.00 0.00 179.01 178.78 1j0e n ALA 108 N -2.78 1.59 0.35 2.92 0.00 -1.26 -2.38 120.51 118.94 1j0e n ALA 108 Ca 0.27 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.88 1j0e n ALA 108 Cb 0.91 -1.37 0.10 0.00 0.00 0.00 0.00 19.45 19.08 1j0e n ALA 108 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j0e n GLU 109 N -2.21 1.48 -0.30 0.00 -0.58 0.35 -4.71 120.64 114.66 1j0e n GLU 109 Ca 0.02 -1.58 0.11 0.00 -0.42 0.00 0.00 57.16 55.29 1j0e n GLU 109 Cb 0.21 -1.29 0.27 0.00 -0.57 0.00 0.00 31.44 30.06 1j0e n GLU 109 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1j0e h LYS 110 N 2.66 0.48 0.00 3.49 2.10 -1.04 -0.69 116.57 123.57 1j0e h LYS 110 Ca 0.00 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1j0e h LYS 110 Cb 0.64 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1j0e h LYS 110 CO 0.00 0.31 -0.01 -0.44 -2.00 0.00 0.00 179.45 177.32 1j0e h ASP 111 N 0.49 0.00 0.00 7.07 3.32 -1.84 -3.36 116.42 122.10 1j0e h ASP 111 Ca 0.52 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.55 1j0e h ASP 111 Cb 0.90 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 1j0e h ASP 111 CO -0.46 0.01 -1.51 1.33 -1.72 0.00 0.00 179.24 176.89 1j0e n VAL 112 N -3.10 0.07 -0.13 -1.35 0.24 -0.96 -4.66 118.33 108.44 1j0e n VAL 112 Ca 0.03 -0.26 0.21 0.00 -2.04 0.00 0.00 64.34 62.28 1j0e n VAL 112 Cb 0.50 0.15 0.62 0.00 -1.47 0.00 0.00 33.84 33.64 1j0e n VAL 112 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1j0e h TYR 113 N 0.00 0.23 -0.41 6.34 3.20 -1.29 -0.19 116.97 124.85 1j0e h TYR 113 Ca -0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1j0e h TYR 113 Cb 0.60 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1j0e h TYR 113 CO 0.00 0.08 0.00 0.09 -1.64 0.00 0.00 178.16 176.69 1j0e n ASN 114 N -4.40 3.28 -0.04 -2.11 3.02 -1.26 -4.65 115.26 109.09 1j0e n ASN 114 Ca 0.15 -1.94 -0.08 0.00 -0.03 0.00 0.00 54.58 52.68 1j0e n ASN 114 Cb 0.68 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 1j0e n ASN 114 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1j0e n ARG 115 N 1.22 0.17 -0.18 3.52 1.74 -0.17 -4.85 116.66 118.11 1j0e n ARG 115 Ca 0.17 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1j0e n ARG 115 Cb 0.53 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 31.19 1j0e n ARG 115 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1j0e n VAL 116 N -3.39 0.00 -4.31 1.55 0.24 -0.67 -3.44 118.33 108.30 1j0e n VAL 116 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1j0e n VAL 116 Cb 0.58 -1.72 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 1j0e n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j0e n GLY 117 N 5.00 3.08 0.28 7.63 0.00 -1.26 -3.31 105.19 116.62 1j0e n GLY 117 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 1j0e n GLY 117 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1j0e h ASN 118 N 8.63 0.94 -0.20 1.61 2.35 -1.86 -2.92 115.58 124.14 1j0e h ASN 118 Ca 0.00 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 1j0e h ASN 118 Cb 0.00 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1j0e h ASN 118 CO 0.00 0.95 0.06 -0.29 -1.65 0.00 0.00 177.43 176.50 1j0e h ILE 119 N 0.89 1.13 0.02 2.81 2.10 -1.71 -1.67 117.51 121.07 1j0e h ILE 119 Ca 0.18 -0.48 -0.00 0.00 1.08 0.00 0.00 64.86 65.65 1j0e h ILE 119 Cb 0.40 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 1j0e h ILE 119 CO 0.01 0.17 -0.01 -0.08 -1.08 0.00 0.00 178.15 177.16 1j0e h GLU 120 N 0.38 -0.02 -0.59 2.19 4.81 -1.51 -2.57 114.58 117.26 1j0e h GLU 120 Ca 0.09 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1j0e h GLU 120 Cb 0.16 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 1j0e h GLU 120 CO -0.00 0.19 0.25 -0.07 -0.73 0.00 0.00 179.01 178.65 1j0e h LEU 121 N -0.24 0.29 -1.71 1.64 3.38 -1.22 -0.38 115.31 117.07 1j0e h LEU 121 Ca -0.00 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1j0e h LEU 121 Cb 0.23 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1j0e h LEU 121 CO 0.00 0.18 0.25 0.28 0.09 0.00 0.00 178.44 179.25 1j0e h SER 122 N 0.46 0.33 -0.04 -0.43 0.02 -1.20 -0.72 113.55 111.95 1j0e h SER 122 Ca 0.29 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.08 1j0e h SER 122 Cb 0.31 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.78 1j0e h SER 122 CO -0.26 0.23 -0.56 0.03 -1.14 0.00 0.00 176.83 175.12 1j0e h ARG 123 N 0.38 0.46 -0.48 3.45 3.08 -0.77 -2.26 114.38 118.24 1j0e h ARG 123 Ca 0.15 -0.44 0.05 0.00 0.07 0.00 0.00 59.98 59.82 1j0e h ARG 123 Cb 0.14 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1j0e h ARG 123 CO -0.04 1.08 0.32 0.82 -1.07 0.00 0.00 179.97 181.09 1j0e h ILE 124 N -0.01 1.00 -0.10 2.04 2.04 -0.33 0.21 117.51 122.36 1j0e h ILE 124 Ca -0.06 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1j0e h ILE 124 Cb 1.25 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1j0e h ILE 124 CO 0.11 0.08 0.00 0.23 0.00 0.00 0.00 178.15 178.58 1j0e n MET 125 N -4.48 1.39 -2.67 2.37 2.81 -0.35 -4.88 117.12 111.31 1j0e n MET 125 Ca 0.06 -0.42 -0.18 0.00 -1.81 0.00 0.00 57.70 55.35 1j0e n MET 125 Cb 0.21 -1.32 0.01 0.00 -0.71 0.00 0.00 33.22 31.42 1j0e n MET 125 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j0e n GLY 126 N 0.41 -0.34 3.91 3.03 0.00 0.73 -4.83 105.19 108.10 1j0e n GLY 126 Ca 0.04 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1j0e n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0e s ALA 127 N -3.00 3.51 -0.74 4.61 0.00 -0.86 -4.77 121.76 120.52 1j0e s ALA 127 Ca 0.15 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 51.29 1j0e s ALA 127 Cb -0.07 -2.42 0.09 0.00 0.00 0.00 0.00 23.12 20.72 1j0e s ALA 127 CO 0.19 -0.15 1.01 0.34 0.00 0.00 0.00 175.76 177.15 1j0e s ASP 128 N -3.89 6.30 -0.37 0.00 2.15 0.20 -4.70 116.67 116.35 1j0e s ASP 128 Ca 0.45 -1.31 -0.22 0.00 0.43 0.00 0.00 52.55 51.90 1j0e s ASP 128 Cb -0.10 -2.41 0.01 0.00 -0.30 0.00 0.00 42.92 40.12 1j0e s ASP 128 CO 0.39 -1.33 0.72 -0.69 -0.17 0.00 0.00 175.17 174.10 1j0e s VAL 129 N 3.65 4.78 -0.29 1.11 1.01 -1.26 -0.77 120.40 128.63 1j0e s VAL 129 Ca 0.25 0.69 -0.06 0.00 0.00 0.00 0.00 61.98 62.87 1j0e s VAL 129 Cb -0.14 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1j0e s VAL 129 CO 0.04 -0.43 0.05 -0.13 0.00 0.00 0.00 175.10 174.64 1j0e s ARG 130 N 2.97 2.96 -0.47 2.72 0.52 0.57 -4.99 118.95 123.23 1j0e s ARG 130 Ca 0.28 -0.93 -0.25 0.00 -0.52 0.00 0.00 55.73 54.31 1j0e s ARG 130 Cb -0.14 -3.30 0.03 0.00 0.52 0.00 0.00 34.95 32.06 1j0e s ARG 130 CO 0.17 -0.47 0.92 0.08 0.02 0.00 0.00 175.30 176.02 1j0e s VAL 131 N 1.44 4.47 0.31 3.52 1.01 -1.26 -0.76 120.40 129.14 1j0e s VAL 131 Ca 0.01 0.70 0.08 0.00 0.00 0.00 0.00 61.98 62.77 1j0e s VAL 131 Cb -0.17 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1j0e s VAL 131 CO 0.01 -0.85 0.15 -0.63 0.00 0.00 0.00 175.10 173.78 1j0e s ILE 132 N 3.75 3.36 -0.41 2.22 -1.09 -0.97 -4.98 121.20 123.08 1j0e s ILE 132 Ca 0.36 -1.65 0.05 0.00 -2.23 0.00 0.00 60.65 57.19 1j0e s ILE 132 Cb -0.10 -3.04 0.62 0.00 -1.58 0.00 0.00 42.46 38.36 1j0e s ILE 132 CO 0.26 -0.24 1.80 -0.62 -1.23 0.00 0.00 174.94 174.91 1j0e n GLU 133 N -1.14 2.16 -2.89 2.79 -0.58 -1.26 -2.83 120.64 116.89 1j0e n GLU 133 Ca -0.04 -3.08 -0.33 0.00 -0.42 0.00 0.00 57.16 53.29 1j0e n GLU 133 Cb 0.60 -2.09 -0.07 0.00 -0.57 0.00 0.00 31.44 29.32 1j0e n GLU 133 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1j0e s ASP 134 N -1.67 6.92 0.70 1.62 1.11 -1.26 -4.61 116.67 119.48 1j0e s ASP 134 Ca 0.54 1.61 -0.09 0.00 0.18 0.00 0.00 52.55 54.78 1j0e s ASP 134 Cb 0.46 -2.51 0.04 0.00 1.07 0.00 0.00 42.92 41.98 1j0e s ASP 134 CO 0.07 -0.32 1.05 -0.83 1.18 0.00 0.00 175.17 176.33 1j0e s GLY 135 N -2.18 1.63 0.46 0.21 0.00 -1.26 0.64 107.32 106.82 1j0e s GLY 135 Ca 0.60 -0.60 -0.24 0.00 0.00 0.00 0.00 44.72 44.47 1j0e s GLY 135 CO 0.14 -0.22 1.36 -0.12 0.00 0.00 0.00 173.10 174.26 1j0e s PHE 136 N -3.30 2.54 -0.29 1.90 5.36 -1.26 -4.79 117.98 118.15 1j0e s PHE 136 Ca 0.58 1.35 -0.26 0.00 -0.96 0.00 0.00 56.93 57.64 1j0e s PHE 136 Cb -0.11 -3.79 0.18 0.00 -0.34 0.00 0.00 43.02 38.97 1j0e s PHE 136 CO 0.48 -2.60 1.36 0.34 -1.46 0.00 0.00 175.22 173.34 1j0e s ASP 137 N -0.73 -0.10 0.00 6.13 2.15 -1.26 -5.05 116.67 117.81 1j0e s ASP 137 Ca 0.63 0.17 0.23 0.00 0.43 0.00 0.00 52.55 54.01 1j0e s ASP 137 Cb -0.40 0.17 0.48 0.00 -0.30 0.00 0.00 42.92 42.86 1j0e s ASP 137 CO 0.51 -0.05 1.42 2.30 -0.17 0.00 0.00 175.17 179.18 1j0e n ILE 138 N 1.33 0.31 -3.48 4.11 -5.35 -1.26 -4.95 119.36 110.08 1j0e n ILE 138 Ca -0.08 -0.59 -0.21 0.00 -0.27 0.00 0.00 62.75 61.60 1j0e n ILE 138 Cb 0.57 0.94 -0.01 0.00 -1.74 0.00 0.00 39.64 39.40 1j0e n ILE 138 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1j0e s GLY 139 N -1.64 2.10 0.22 3.28 0.00 -1.26 -4.92 107.32 105.11 1j0e s GLY 139 Ca 0.35 -1.78 -0.30 0.00 0.00 0.00 0.00 44.72 43.00 1j0e s GLY 139 CO 0.30 -1.72 0.99 1.03 0.00 0.00 0.00 173.10 173.71 1j0e n MET 140 N -1.74 1.04 -4.32 2.90 2.81 -1.26 -4.96 117.12 111.59 1j0e n MET 140 Ca 0.05 0.37 -0.23 0.00 -1.81 0.00 0.00 57.70 56.07 1j0e n MET 140 Cb 0.62 -1.73 -0.08 0.00 -0.71 0.00 0.00 33.22 31.32 1j0e n MET 140 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1j0e s ARG 141 N -0.99 2.18 -0.01 0.03 1.81 -1.26 -5.06 118.95 115.64 1j0e s ARG 141 Ca 0.66 -1.46 -0.14 0.00 -1.72 0.00 0.00 55.73 53.07 1j0e s ARG 141 Cb -0.81 -2.10 -0.33 0.00 -0.45 0.00 0.00 34.95 31.26 1j0e s ARG 141 CO 0.56 0.37 0.82 -0.22 -0.68 0.00 0.00 175.30 176.15 1j0e h LYS 142 N 2.04 0.46 -0.63 3.54 3.64 -2.00 -3.24 116.57 120.39 1j0e h LYS 142 Ca -0.44 -0.79 0.17 0.00 -1.27 0.00 0.00 60.65 58.33 1j0e h LYS 142 Cb 1.25 0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 33.33 1j0e h LYS 142 CO 0.60 1.38 0.45 0.66 -2.27 0.00 0.00 179.45 180.26 1j0e h SER 143 N 0.10 0.06 0.27 4.20 4.64 -1.98 0.46 113.55 121.29 1j0e h SER 143 Ca -0.30 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1j0e h SER 143 Cb 2.11 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.19 1j0e h SER 143 CO 0.22 0.03 -0.13 0.15 -0.87 0.00 0.00 176.83 176.23 1j0e h PHE 144 N 0.06 -0.33 -0.64 4.77 3.57 -1.99 -1.49 116.94 120.89 1j0e h PHE 144 Ca 0.30 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 1j0e h PHE 144 Cb 1.11 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 1j0e h PHE 144 CO -0.00 -0.14 0.17 0.00 -2.23 0.00 0.00 178.31 176.12 1j0e h ALA 145 N 0.26 1.09 -0.70 2.41 0.00 -0.33 -1.43 119.26 120.56 1j0e h ALA 145 Ca -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1j0e h ALA 145 Cb 0.34 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1j0e h ALA 145 CO 0.06 0.61 0.36 -0.97 0.00 0.00 0.00 179.25 179.31 1j0e h ASN 146 N 0.96 0.88 -0.23 0.00 -1.24 -0.24 0.30 115.58 116.01 1j0e h ASN 146 Ca 0.21 -0.08 -0.11 0.00 0.71 0.00 0.00 56.30 57.02 1j0e h ASN 146 Cb 0.32 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.14 1j0e h ASN 146 CO -0.00 0.73 -0.28 0.00 -1.29 0.00 0.00 177.43 176.59 1j0e h ALA 147 N 1.41 0.35 -0.52 1.57 0.00 -0.86 -0.71 119.26 120.50 1j0e h ALA 147 Ca 0.25 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1j0e h ALA 147 Cb 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1j0e h ALA 147 CO -0.04 0.36 0.06 -0.07 0.00 0.00 0.00 179.25 179.56 1j0e h LEU 148 N 0.30 0.84 -0.41 0.00 3.38 -0.84 -1.95 115.31 116.63 1j0e h LEU 148 Ca 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1j0e h LEU 148 Cb 0.86 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1j0e h LEU 148 CO 0.07 0.90 0.22 -0.61 0.09 0.00 0.00 178.44 179.10 1j0e h GLN 149 N 0.74 0.57 -0.23 1.13 5.75 -0.40 -0.32 115.11 122.35 1j0e h GLN 149 Ca 0.15 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.62 1j0e h GLN 149 Cb 0.43 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 1j0e h GLN 149 CO 0.01 0.47 -0.01 1.49 -2.65 0.00 0.00 178.83 178.15 1j0e h GLU 150 N 0.53 0.06 -0.62 1.69 4.81 -0.90 -1.20 114.58 118.95 1j0e h GLU 150 Ca 0.14 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1j0e h GLU 150 Cb 0.07 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1j0e h GLU 150 CO -0.02 0.04 0.01 -0.07 -0.73 0.00 0.00 179.01 178.24 1j0e h LEU 151 N 0.06 1.06 -1.19 1.64 4.07 -1.15 -1.55 115.31 118.25 1j0e h LEU 151 Ca 0.11 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1j0e h LEU 151 Cb 0.14 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.60 1j0e h LEU 151 CO -0.19 1.10 0.00 -0.08 -1.08 0.00 0.00 178.44 178.19 1j0e h GLU 152 N 0.99 0.00 0.19 1.13 4.81 -0.81 0.56 114.58 121.45 1j0e h GLU 152 Ca 0.18 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.06 1j0e h GLU 152 Cb 0.55 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.94 1j0e h GLU 152 CO 0.03 0.00 -1.74 -0.44 -0.73 0.00 0.00 179.01 176.13 1j0e h ASP 153 N 0.00 0.62 0.00 1.04 3.32 -0.82 -3.27 116.42 117.31 1j0e h ASP 153 Ca 0.00 -0.94 0.00 0.00 0.02 0.00 0.00 57.03 56.11 1j0e h ASP 153 Cb 0.49 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1j0e h ASP 153 CO 0.00 1.79 0.00 0.00 -1.72 0.00 0.00 179.24 179.31 1j0e n ALA 154 N -2.87 2.06 -0.40 3.45 0.00 -0.62 -4.80 120.51 117.33 1j0e n ALA 154 Ca -0.25 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1j0e n ALA 154 Cb 1.07 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1j0e n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j0e n GLY 155 N -0.02 0.79 4.00 0.00 0.00 -1.13 -5.08 105.19 103.75 1j0e n GLY 155 Ca 0.09 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1j0e n GLY 155 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j0e s HIS 156 N -2.00 2.45 -0.67 1.61 3.76 0.17 -5.01 115.29 115.60 1j0e s HIS 156 Ca 0.00 -0.29 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 1j0e s HIS 156 Cb 0.00 -2.57 0.17 0.00 1.11 0.00 0.00 32.58 31.29 1j0e s HIS 156 CO 0.00 -0.86 0.47 0.21 -0.85 0.00 0.00 174.74 173.71 1j0e s LYS 157 N -4.65 2.30 0.34 1.40 2.20 -1.26 -4.14 119.74 115.92 1j0e s LYS 157 Ca 0.58 -3.21 -0.28 0.00 -0.36 0.00 0.00 55.97 52.71 1j0e s LYS 157 Cb -0.09 -3.23 -0.09 0.00 -1.51 0.00 0.00 37.83 32.91 1j0e s LYS 157 CO 0.37 -1.29 1.17 -1.25 -0.36 0.00 0.00 175.35 173.99 1j0e s PRO 158 N -1.28 4.37 -0.30 4.03 0.04 -1.26 -2.13 135.00 138.46 1j0e s PRO 158 Ca 0.25 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 1j0e s PRO 158 Cb -0.04 -2.97 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 1j0e s PRO 158 CO -0.16 -0.07 0.19 -0.47 0.04 0.00 0.00 177.00 176.53 1j0e s TYR 159 N -1.26 3.21 -0.11 0.56 5.04 0.63 -4.92 117.35 120.49 1j0e s TYR 159 Ca 0.50 -0.10 -0.30 0.00 -2.44 0.00 0.00 57.07 54.74 1j0e s TYR 159 Cb -0.33 -2.39 -0.02 0.00 0.35 0.00 0.00 41.96 39.57 1j0e s TYR 159 CO 0.43 -0.27 1.18 -1.25 -1.34 0.00 0.00 175.55 174.29 1j0e s PRO 160 N 1.72 4.32 -0.36 4.97 0.04 -1.26 -0.28 135.00 144.15 1j0e s PRO 160 Ca 0.06 1.60 0.02 0.00 0.04 0.00 0.00 61.00 62.72 1j0e s PRO 160 Cb -0.16 -3.63 0.11 0.00 0.04 0.00 0.00 34.50 30.86 1j0e s PRO 160 CO 0.10 -0.53 0.13 0.42 0.04 0.00 0.00 177.00 177.16 1j0e s ILE 161 N 2.67 1.51 1.09 0.56 1.01 0.17 -4.94 121.20 123.27 1j0e s ILE 161 Ca 0.53 -2.06 -0.17 0.00 0.00 0.00 0.00 60.65 58.96 1j0e s ILE 161 Cb -0.22 -2.10 0.11 0.00 0.01 0.00 0.00 42.46 40.26 1j0e s ILE 161 CO 0.18 -0.71 0.21 -2.65 0.00 0.00 0.00 174.94 171.96 1j0e n PRO 162 N 4.27 -1.39 -1.66 2.79 -0.02 -1.26 -3.71 135.00 134.01 1j0e n PRO 162 Ca 0.02 -0.38 -0.48 0.00 -2.02 0.00 0.00 63.50 60.65 1j0e n PRO 162 Cb 0.40 -1.79 -0.05 0.00 -0.02 0.00 0.00 33.50 32.04 1j0e n PRO 162 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j0e n ALA 163 N -4.31 0.93 -1.00 3.55 0.00 -1.26 -0.86 120.51 117.56 1j0e n ALA 163 Ca 0.02 0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.83 1j0e n ALA 163 Cb 0.59 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 1j0e n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j0e n GLY 164 N 3.52 0.51 4.03 0.00 0.00 -1.26 -1.78 105.19 110.21 1j0e n GLY 164 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1j0e n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0e h SER 166 N 0.00 -1.03 0.14 0.00 0.02 -1.58 -1.94 113.55 109.17 1j0e h SER 166 Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1j0e h SER 166 Cb 0.00 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1j0e h SER 166 CO 0.00 -0.29 -0.04 -0.62 -1.14 0.00 0.00 176.83 174.74 1j0e n GLU 167 N -5.44 1.05 -1.85 3.45 1.02 -1.26 -4.45 120.64 113.16 1j0e n GLU 167 Ca 0.05 -0.34 -0.37 0.00 -0.02 0.00 0.00 57.16 56.47 1j0e n GLU 167 Cb 0.35 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.32 1j0e n GLU 167 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1j0e s HIS 168 N -2.18 2.29 0.33 -0.32 2.46 -0.73 -4.86 115.29 112.29 1j0e s HIS 168 Ca 0.38 1.44 0.12 0.00 0.47 0.00 0.00 55.06 57.47 1j0e s HIS 168 Cb 0.21 -3.69 1.01 0.00 -0.13 0.00 0.00 32.58 29.98 1j0e s HIS 168 CO 0.40 -2.68 1.68 -0.22 -2.47 0.00 0.00 174.74 171.45 1j0e h LYS 169 N 1.17 0.39 -0.36 2.88 3.64 -1.89 0.26 116.57 122.66 1j0e h LYS 169 Ca -0.51 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1j0e h LYS 169 Cb 1.31 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1j0e h LYS 169 CO 0.56 0.26 0.00 0.66 -2.27 0.00 0.00 179.45 178.66 1j0e n TYR 170 N -5.00 0.95 0.09 1.91 4.01 -1.26 -4.68 117.16 113.17 1j0e n TYR 170 Ca 0.30 -0.72 0.01 0.00 -0.16 0.00 0.00 57.90 57.33 1j0e n TYR 170 Cb 0.89 -0.23 0.05 0.00 -0.31 0.00 0.00 39.34 39.74 1j0e n TYR 170 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1j0e n GLY 171 N 0.11 -0.46 0.18 2.72 0.00 0.08 -2.37 105.19 105.45 1j0e n GLY 171 Ca 0.19 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1j0e n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0e n GLY 172 N -1.18 -0.99 0.23 -0.02 0.00 -1.26 -4.63 105.19 97.34 1j0e n GLY 172 Ca 0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 1j0e n GLY 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j0e h LEU 173 N 0.90 0.85 -0.58 0.99 3.38 -1.81 -3.21 115.31 115.83 1j0e h LEU 173 Ca 0.00 -0.49 0.12 0.00 0.09 0.00 0.00 57.88 57.60 1j0e h LEU 173 Cb 0.20 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.61 1j0e h LEU 173 CO 0.00 1.17 -0.01 1.23 0.09 0.00 0.00 178.44 180.91 1j0e h GLY 174 N 0.55 0.59 1.31 0.83 0.00 -1.77 0.17 103.07 104.75 1j0e h GLY 174 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1j0e h GLY 174 CO 0.09 -0.18 0.00 0.69 0.00 0.00 0.00 176.54 177.13 1j0e n PHE 175 N -5.28 0.00 0.07 5.60 3.01 -1.24 -1.74 117.46 117.89 1j0e n PHE 175 Ca 0.08 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.34 1j0e n PHE 175 Cb 0.33 -0.16 -0.11 0.00 -0.01 0.00 0.00 39.48 39.53 1j0e n PHE 175 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1j0e h VAL 176 N 0.00 1.31 0.00 -4.37 2.07 -0.68 -2.87 116.25 111.71 1j0e h VAL 176 Ca 0.00 -2.43 -0.04 0.00 0.82 0.00 0.00 66.70 65.06 1j0e h VAL 176 Cb 0.15 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1j0e h VAL 176 CO 0.00 0.74 -0.18 1.23 0.02 0.00 0.00 177.57 179.38 1j0e h GLY 177 N 0.54 0.00 1.10 2.17 0.00 -0.72 -2.41 103.07 103.75 1j0e h GLY 177 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 1j0e h GLY 177 CO 0.22 0.00 0.04 -2.75 0.00 0.00 0.00 176.54 174.05 1j0e h PHE 178 N 0.00 1.17 -0.20 5.60 3.04 -1.13 -1.23 116.94 124.19 1j0e h PHE 178 Ca -0.00 -0.18 -0.02 0.00 3.98 0.00 0.00 57.97 61.74 1j0e h PHE 178 Cb 0.64 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 1j0e h PHE 178 CO 0.00 1.00 0.04 0.00 -2.02 0.00 0.00 178.31 177.33 1j0e h ALA 179 N 1.03 0.26 -0.95 2.41 0.00 -1.27 -0.74 119.26 120.00 1j0e h ALA 179 Ca 0.18 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.09 1j0e h ALA 179 Cb 0.51 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 1j0e h ALA 179 CO 0.02 -0.08 0.56 -0.44 0.00 0.00 0.00 179.25 179.31 1j0e h ASP 180 N 0.13 0.73 -0.28 0.00 3.32 -1.24 -0.37 116.42 118.72 1j0e h ASP 180 Ca 0.06 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1j0e h ASP 180 Cb 0.29 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1j0e h ASP 180 CO 0.00 0.31 0.07 -0.33 -1.72 0.00 0.00 179.24 177.57 1j0e h GLU 181 N 0.77 0.44 -0.50 3.56 5.08 -0.65 -2.52 114.58 120.77 1j0e h GLU 181 Ca 0.52 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.79 1j0e h GLU 181 Cb 0.72 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1j0e h GLU 181 CO -0.35 0.53 0.31 0.28 -1.00 0.00 0.00 179.01 178.77 1j0e h VAL 182 N 0.28 1.07 -0.40 3.13 2.07 0.36 0.12 116.25 122.88 1j0e h VAL 182 Ca 0.09 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1j0e h VAL 182 Cb 0.28 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1j0e h VAL 182 CO 0.00 0.11 0.22 0.40 0.02 0.00 0.00 177.57 178.32 1j0e h ILE 183 N 0.61 1.01 -0.62 4.57 5.03 -1.10 -0.45 117.51 126.56 1j0e h ILE 183 Ca 0.20 -0.15 -0.09 0.00 -0.12 0.00 0.00 64.86 64.70 1j0e h ILE 183 Cb -0.00 0.52 -0.02 0.00 -3.03 0.00 0.00 36.82 34.29 1j0e h ILE 183 CO -0.08 0.08 0.04 -1.13 -0.68 0.00 0.00 178.15 176.38 1j0e h ASN 184 N 0.45 1.02 0.96 1.72 -0.73 -1.06 -2.86 115.58 115.09 1j0e h ASN 184 Ca 0.17 -0.27 -0.04 0.00 1.87 0.00 0.00 56.30 58.03 1j0e h ASN 184 Cb 0.04 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.35 1j0e h ASN 184 CO -0.10 1.05 -0.21 1.56 -0.37 0.00 0.00 177.43 179.36 1j0e h GLN 185 N 0.97 0.00 -0.54 6.67 4.20 -0.23 -2.70 115.11 123.48 1j0e h GLN 185 Ca 0.18 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.78 1j0e h GLN 185 Cb 0.50 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1j0e h GLN 185 CO 0.02 0.21 -0.09 0.93 -0.67 0.00 0.00 178.83 179.23 1j0e h GLU 186 N 0.00 1.01 -0.42 1.46 5.08 -0.86 0.62 114.58 121.47 1j0e h GLU 186 Ca -0.00 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 57.89 1j0e h GLU 186 Cb 0.75 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1j0e h GLU 186 CO 0.03 1.05 -0.15 0.28 -1.00 0.00 0.00 179.01 179.21 1j0e h VAL 187 N 0.88 1.28 0.00 3.13 2.07 -1.46 0.33 116.25 122.48 1j0e h VAL 187 Ca 0.14 -1.28 -0.14 0.00 0.82 0.00 0.00 66.70 66.24 1j0e h VAL 187 Cb 0.65 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1j0e h VAL 187 CO 0.04 0.43 -0.69 1.05 0.02 0.00 0.00 177.57 178.43 1j0e h GLU 188 N 0.67 0.00 0.00 1.57 4.11 -1.37 -3.22 114.58 116.34 1j0e h GLU 188 Ca 0.10 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.33 1j0e h GLU 188 Cb 0.70 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1j0e h GLU 188 CO 0.05 0.69 -1.21 -0.07 0.07 0.00 0.00 179.01 178.54 1j0e h LEU 189 N 0.00 0.00 0.00 3.06 3.38 -0.83 -3.48 115.31 117.44 1j0e h LEU 189 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j0e h LEU 189 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1j0e h LEU 189 CO 0.09 0.78 0.00 0.61 0.09 0.00 0.00 178.44 180.01 1j0e n GLY 190 N 1.39 0.50 3.02 0.83 0.00 0.11 -5.05 105.19 106.00 1j0e n GLY 190 Ca -0.07 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 1j0e n GLY 190 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0e s ILE 191 N -2.00 1.51 -0.18 -0.61 1.09 -0.94 -5.03 121.20 115.05 1j0e s ILE 191 Ca 0.00 -0.61 -0.17 0.00 -1.10 0.00 0.00 60.65 58.77 1j0e s ILE 191 Cb 0.00 -1.42 -0.04 0.00 -1.06 0.00 0.00 42.46 39.95 1j0e s ILE 191 CO 0.00 0.45 0.43 -0.75 -0.10 0.00 0.00 174.94 174.97 1j0e s LYS 192 N 1.36 4.23 -0.12 2.79 2.36 -1.26 -4.44 119.74 124.66 1j0e s LYS 192 Ca 0.02 0.30 -0.20 0.00 -2.55 0.00 0.00 55.97 53.53 1j0e s LYS 192 Cb -0.13 -3.50 -0.04 0.00 -1.05 0.00 0.00 37.83 33.11 1j0e s LYS 192 CO -0.08 0.02 0.58 -0.06 1.55 0.00 0.00 175.35 177.36 1j0e s PHE 193 N 1.11 3.50 -0.03 4.03 0.08 -1.26 -4.63 117.98 120.79 1j0e s PHE 193 Ca 0.22 1.01 -0.15 0.00 0.12 0.00 0.00 56.93 58.13 1j0e s PHE 193 Cb -0.15 -2.69 -0.32 0.00 -0.57 0.00 0.00 43.02 39.29 1j0e s PHE 193 CO 0.08 0.07 0.81 -0.44 -0.10 0.00 0.00 175.22 175.64 1j0e h ASP 194 N 6.91 0.64 -4.61 1.36 3.32 -1.19 -3.47 116.42 119.38 1j0e h ASP 194 Ca -0.39 -0.92 -0.28 0.00 0.02 0.00 0.00 57.03 55.46 1j0e h ASP 194 Cb 1.18 -0.21 -0.23 0.00 0.22 0.00 0.00 39.33 40.29 1j0e h ASP 194 CO 0.76 1.67 -0.74 -0.54 -1.72 0.00 0.00 179.24 178.67 1j0e s LYS 195 N -2.54 0.50 -0.19 3.56 -0.14 -1.17 -4.66 119.74 115.09 1j0e s LYS 195 Ca -0.14 -0.65 0.01 0.00 -1.36 0.00 0.00 55.97 53.83 1j0e s LYS 195 Cb 0.04 -0.31 0.02 0.00 -1.68 0.00 0.00 37.83 35.91 1j0e s LYS 195 CO 0.87 0.06 -0.17 0.42 -0.76 0.00 0.00 175.35 175.77 1j0e s ILE 196 N -1.14 2.20 -0.26 2.17 1.01 0.00 0.50 121.20 125.68 1j0e s ILE 196 Ca -0.08 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.51 1j0e s ILE 196 Cb -0.08 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1j0e s ILE 196 CO 0.00 0.46 0.09 -0.69 0.00 0.00 0.00 174.94 174.81 1j0e s VAL 197 N 1.29 4.48 -0.01 2.92 1.01 0.13 -0.07 120.40 130.14 1j0e s VAL 197 Ca 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1j0e s VAL 197 Cb -0.14 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1j0e s VAL 197 CO -0.11 0.30 -0.02 0.54 0.00 0.00 0.00 175.10 175.81 1j0e s VAL 198 N 1.64 0.22 0.44 2.92 0.11 -0.56 -0.70 120.40 124.46 1j0e s VAL 198 Ca 0.06 -0.09 -0.24 0.00 -2.93 0.00 0.00 61.98 58.77 1j0e s VAL 198 Cb -0.15 -0.20 -0.08 0.00 -1.53 0.00 0.00 36.38 34.42 1j0e s VAL 198 CO 0.05 0.07 1.27 0.00 -3.33 0.00 0.00 175.10 173.16 1j0e n VAL 201 N 3.46 0.00 0.80 0.00 0.31 -1.26 -0.93 118.33 120.71 1j0e n VAL 201 Ca -0.20 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.26 1j0e n VAL 201 Cb 0.53 0.00 0.47 0.00 -0.91 0.00 0.00 33.84 33.93 1j0e n VAL 201 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1j0e n THR 202 N -1.59 0.30 0.00 2.52 -2.24 -1.26 -4.85 114.28 107.16 1j0e n THR 202 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1j0e n THR 202 Cb 0.00 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1j0e n THR 202 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j0e n GLY 203 N 1.40 3.03 0.22 3.38 0.00 -1.26 -4.70 105.19 107.25 1j0e n GLY 203 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1j0e n GLY 203 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j0e h SER 204 N 0.00 0.00 0.18 1.61 4.64 -1.85 -1.07 113.55 117.05 1j0e h SER 204 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1j0e h SER 204 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1j0e h SER 204 CO 0.00 0.20 -0.08 0.74 -0.87 0.00 0.00 176.83 176.82 1j0e h THR 205 N 0.00 0.93 -0.30 2.95 2.02 -1.92 -0.85 112.91 115.74 1j0e h THR 205 Ca -0.00 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1j0e h THR 205 Cb 0.87 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 1j0e h THR 205 CO 0.03 0.14 0.17 0.74 0.37 0.00 0.00 175.52 176.97 1j0e h THR 206 N -0.53 1.12 -0.91 3.16 2.02 -1.83 -1.75 112.91 114.19 1j0e h THR 206 Ca -0.02 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.87 1j0e h THR 206 Cb 0.41 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 1j0e h THR 206 CO 0.04 0.12 0.60 0.00 0.37 0.00 0.00 175.52 176.65 1j0e h ALA 207 N 1.05 1.37 -0.22 6.16 0.00 -1.20 0.99 119.26 127.41 1j0e h ALA 207 Ca 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1j0e h ALA 207 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1j0e h ALA 207 CO -0.02 0.57 0.07 0.78 0.00 0.00 0.00 179.25 180.65 1j0e h GLY 208 N 1.20 0.37 1.01 0.00 0.00 -0.79 -0.63 103.07 104.23 1j0e h GLY 208 Ca 0.34 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1j0e h GLY 208 CO -0.08 0.20 0.35 -2.22 0.00 0.00 0.00 176.54 174.79 1j0e h ILE 209 N 0.19 1.23 0.42 2.60 2.04 -0.91 0.17 117.51 123.24 1j0e h ILE 209 Ca 0.07 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1j0e h ILE 209 Cb 0.23 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1j0e h ILE 209 CO -0.00 0.26 -0.22 -0.07 0.00 0.00 0.00 178.15 178.12 1j0e h LEU 210 N 0.96 -0.53 -0.79 1.44 3.38 -0.60 0.19 115.31 119.36 1j0e h LEU 210 Ca 0.24 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1j0e h LEU 210 Cb 0.10 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1j0e h LEU 210 CO -0.03 -0.36 0.38 0.00 0.09 0.00 0.00 178.44 178.51 1j0e h ALA 211 N -0.01 1.02 0.82 1.53 0.00 -1.00 -0.94 119.26 120.68 1j0e h ALA 211 Ca -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1j0e h ALA 211 Cb 0.46 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1j0e h ALA 211 CO 0.08 0.59 -0.41 0.78 0.00 0.00 0.00 179.25 180.28 1j0e h GLY 212 N 1.12 -1.18 1.66 0.00 0.00 -0.46 -2.42 103.07 101.77 1j0e h GLY 212 Ca 0.27 0.45 0.03 0.00 0.00 0.00 0.00 47.33 48.08 1j0e h GLY 212 CO -0.03 -0.43 0.14 -0.33 0.00 0.00 0.00 176.54 175.89 1j0e h MET 213 N -1.12 0.00 0.00 4.80 2.86 -0.47 0.05 114.93 121.05 1j0e h MET 213 Ca -0.11 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1j0e h MET 213 Cb 0.87 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1j0e h MET 213 CO 0.17 0.00 -0.18 0.00 1.06 0.00 0.00 176.91 177.96 1j0e h ALA 214 N 1.83 1.17 0.00 6.32 0.00 -0.66 0.54 119.26 128.46 1j0e h ALA 214 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1j0e h ALA 214 Cb 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1j0e h ALA 214 CO -0.00 0.23 -0.00 1.96 0.00 0.00 0.00 179.25 181.44 1j0e h GLN 215 N 0.00 0.00 -0.39 0.00 4.20 -0.85 -0.39 115.11 117.68 1j0e h GLN 215 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1j0e h GLN 215 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1j0e h GLN 215 CO 0.02 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.85 1j0e n TYR 216 N -4.33 0.65 -2.54 2.96 4.02 -0.65 -4.96 117.16 112.30 1j0e n TYR 216 Ca -0.03 -0.56 -0.16 0.00 -0.01 0.00 0.00 57.90 57.14 1j0e n TYR 216 Cb 0.09 -0.08 0.01 0.00 -0.02 0.00 0.00 39.34 39.34 1j0e n TYR 216 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1j0e n GLY 217 N 0.51 -0.24 0.41 2.72 0.00 -0.16 -4.93 105.19 103.51 1j0e n GLY 217 Ca 0.15 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1j0e n GLY 217 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j0e n ARG 218 N -2.81 2.31 -0.33 1.61 1.74 0.18 -4.76 116.66 114.60 1j0e n ARG 218 Ca -0.14 -2.44 0.23 0.00 -0.77 0.00 0.00 57.85 54.74 1j0e n ARG 218 Cb 0.62 -1.51 0.51 0.00 -1.02 0.00 0.00 32.46 31.05 1j0e n ARG 218 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1j0e h GLN 219 N 0.88 0.38 0.00 5.56 -0.00 -1.79 0.29 115.11 120.42 1j0e h GLN 219 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1j0e h GLN 219 Cb 1.04 -0.09 0.00 0.00 -0.00 0.00 0.00 27.48 28.44 1j0e h GLN 219 CO 0.08 0.25 0.00 -0.25 -0.00 0.00 0.00 178.83 178.91 1j0e n ASP 220 N -4.67 0.00 0.12 0.06 9.92 -1.26 -1.89 116.55 118.83 1j0e n ASP 220 Ca 0.26 0.38 0.13 0.00 -0.53 0.00 0.00 54.79 55.04 1j0e n ASP 220 Cb 0.91 -0.43 0.43 0.00 -0.64 0.00 0.00 41.12 41.38 1j0e n ASP 220 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1j0e h ASP 221 N 0.00 0.00 -3.30 -2.24 5.19 -1.20 -3.45 116.42 111.43 1j0e h ASP 221 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 1j0e h ASP 221 Cb 0.16 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.61 1j0e h ASP 221 CO 0.00 0.00 0.43 -0.69 -3.12 0.00 0.00 179.24 175.86 1j0e s VAL 222 N -3.19 4.86 -0.26 -1.35 1.01 -0.79 -0.82 120.40 119.86 1j0e s VAL 222 Ca 0.08 1.79 0.03 0.00 0.00 0.00 0.00 61.98 63.88 1j0e s VAL 222 Cb 0.11 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.34 1j0e s VAL 222 CO 0.54 0.05 -0.11 -0.63 0.00 0.00 0.00 175.10 174.94 1j0e s ILE 223 N 1.92 2.19 -0.10 2.22 1.01 0.89 -4.34 121.20 124.99 1j0e s ILE 223 Ca 0.43 -1.61 -0.14 0.00 0.00 0.00 0.00 60.65 59.33 1j0e s ILE 223 Cb -0.17 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1j0e s ILE 223 CO 0.16 -0.01 0.34 0.00 0.00 0.00 0.00 174.94 175.43 1j0e s ALA 224 N 1.11 3.64 -0.34 9.38 0.00 0.28 -1.50 121.76 134.33 1j0e s ALA 224 Ca -0.08 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.47 1j0e s ALA 224 Cb -0.20 -2.39 0.05 0.00 0.00 0.00 0.00 23.12 20.59 1j0e s ALA 224 CO -0.05 0.26 0.10 0.42 0.00 0.00 0.00 175.76 176.49 1j0e s ILE 225 N -0.17 3.58 0.39 0.00 -1.09 -0.74 -0.38 121.20 122.79 1j0e s ILE 225 Ca 0.20 -1.29 -0.27 0.00 -2.23 0.00 0.00 60.65 57.06 1j0e s ILE 225 Cb -0.14 -3.08 -0.10 0.00 -1.58 0.00 0.00 42.46 37.55 1j0e s ILE 225 CO 0.08 -0.23 1.44 -0.62 -1.23 0.00 0.00 174.94 174.38 1j0e s ASP 226 N 1.46 6.28 0.00 3.58 2.15 -0.34 -1.24 116.67 128.56 1j0e s ASP 226 Ca -0.01 2.95 0.00 0.00 0.43 0.00 0.00 52.55 55.91 1j0e s ASP 226 Cb -0.20 -2.66 0.00 0.00 -0.30 0.00 0.00 42.92 39.76 1j0e s ASP 226 CO 0.01 -0.91 0.24 0.00 -0.17 0.00 0.00 175.17 174.35 1j0e n ALA 227 N 0.31 1.15 0.14 3.66 0.00 -0.11 -3.84 120.51 121.82 1j0e n ALA 227 Ca 0.02 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.99 1j0e n ALA 227 Cb 0.40 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.70 1j0e n ALA 227 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j0e h SER 228 N 0.00 0.77 -0.61 0.00 4.64 -1.90 -3.39 113.55 113.07 1j0e h SER 228 Ca 0.00 -0.82 -0.10 0.00 -0.47 0.00 0.00 61.79 60.40 1j0e h SER 228 Cb 0.29 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1j0e h SER 228 CO 0.00 1.64 -0.12 0.33 -0.87 0.00 0.00 176.83 177.82 1j0e n PHE 229 N -3.68 -0.19 -2.67 4.77 7.35 -1.26 -3.26 117.46 118.52 1j0e n PHE 229 Ca -0.15 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.45 1j0e n PHE 229 Cb 1.09 -1.60 0.04 0.00 0.35 0.00 0.00 39.48 39.36 1j0e n PHE 229 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1j0e n THR 230 N -3.78 0.94 -0.24 -2.13 -2.24 -1.26 -4.90 114.28 100.67 1j0e n THR 230 Ca -0.06 -2.96 -0.01 0.00 -2.27 0.00 0.00 64.05 58.75 1j0e n THR 230 Cb 0.47 0.70 0.02 0.00 -2.10 0.00 0.00 70.33 69.41 1j0e n THR 230 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1j0e n SER 231 N -0.10 -0.43 -0.00 3.42 7.64 -1.26 -1.60 113.62 121.28 1j0e n SER 231 Ca 0.08 1.08 -0.00 0.00 1.01 0.00 0.00 58.87 61.04 1j0e n SER 231 Cb 0.82 -0.23 -0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1j0e n SER 231 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1j0e h GLU 232 N 0.00 -0.01 -0.86 1.43 4.57 -2.00 0.11 114.58 117.82 1j0e h GLU 232 Ca 0.20 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1j0e h GLU 232 Cb 0.35 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.91 1j0e h GLU 232 CO -0.61 -0.01 0.55 1.57 -1.18 0.00 0.00 179.01 179.33 1j0e h LYS 233 N -0.01 1.14 0.10 1.92 2.10 -1.88 -2.17 116.57 117.76 1j0e h LYS 233 Ca 0.00 -0.08 0.01 0.00 -2.00 0.00 0.00 60.65 58.58 1j0e h LYS 233 Cb 0.02 -0.25 -0.02 0.00 -0.90 0.00 0.00 32.23 31.07 1j0e h LYS 233 CO -0.01 0.77 -0.16 1.15 -2.00 0.00 0.00 179.45 179.19 1j0e h THR 234 N 1.17 0.63 -0.70 0.07 2.02 -0.97 0.15 112.91 115.27 1j0e h THR 234 Ca 0.31 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.46 1j0e h THR 234 Cb -0.11 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1j0e h THR 234 CO -0.06 0.00 0.30 0.50 0.37 0.00 0.00 175.52 176.63 1j0e h LYS 235 N -0.32 1.04 -0.32 6.66 3.64 -0.85 -1.15 116.57 125.27 1j0e h LYS 235 Ca 0.02 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1j0e h LYS 235 Cb 0.33 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1j0e h LYS 235 CO -0.09 0.85 0.12 1.49 -2.27 0.00 0.00 179.45 179.55 1j0e h GLU 236 N 1.00 0.25 -0.13 1.90 4.57 -1.02 -0.85 114.58 120.30 1j0e h GLU 236 Ca 0.24 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 1j0e h GLU 236 Cb 0.18 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1j0e h GLU 236 CO -0.02 0.17 -0.03 0.37 -1.18 0.00 0.00 179.01 178.32 1j0e h GLN 237 N 0.26 0.24 -0.70 1.92 4.15 -0.47 -2.67 115.11 117.84 1j0e h GLN 237 Ca 0.14 -0.09 0.07 0.00 0.77 0.00 0.00 58.65 59.54 1j0e h GLN 237 Cb 0.11 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.72 1j0e h GLN 237 CO -0.14 0.53 0.39 1.15 -1.93 0.00 0.00 178.83 178.82 1j0e h THR 238 N -0.06 0.94 -0.76 2.39 2.02 -1.12 -1.52 112.91 114.80 1j0e h THR 238 Ca 0.03 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1j0e h THR 238 Cb 0.44 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1j0e h THR 238 CO 0.01 0.13 0.44 0.25 0.37 0.00 0.00 175.52 176.72 1j0e h LEU 239 N 0.70 0.92 -0.33 2.58 5.85 -1.11 0.01 115.31 123.92 1j0e h LEU 239 Ca 0.32 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.85 1j0e h LEU 239 Cb 0.24 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1j0e h LEU 239 CO -0.21 0.72 -0.33 -0.09 -0.34 0.00 0.00 178.44 178.19 1j0e h ARG 240 N 1.05 0.80 -0.43 1.25 2.43 -1.00 -2.48 114.38 115.99 1j0e h ARG 240 Ca 0.27 -0.43 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 1j0e h ARG 240 Cb -0.02 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1j0e h ARG 240 CO -0.05 1.06 0.03 0.82 -1.51 0.00 0.00 179.97 180.32 1j0e h ILE 241 N 0.58 1.26 -0.42 1.20 2.04 -0.87 -1.13 117.51 120.16 1j0e h ILE 241 Ca 0.05 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 64.99 1j0e h ILE 241 Cb 0.91 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 1j0e h ILE 241 CO 0.08 0.34 0.13 0.00 0.00 0.00 0.00 178.15 178.69 1j0e h ALA 242 N 0.91 0.49 -0.28 1.87 0.00 -0.98 0.30 119.26 121.57 1j0e h ALA 242 Ca 0.13 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1j0e h ALA 242 Cb 0.45 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1j0e h ALA 242 CO 0.02 -0.27 -0.16 -0.91 0.00 0.00 0.00 179.25 177.93 1j0e h ASN 243 N 0.28 0.49 0.02 0.00 2.35 -1.27 0.27 115.58 117.72 1j0e h ASN 243 Ca 0.20 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1j0e h ASN 243 Cb 0.21 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1j0e h ASN 243 CO -0.22 0.67 -0.01 0.78 -1.65 0.00 0.00 177.43 177.00 1j0e h ASN 244 N 0.45 -0.03 -0.73 5.81 2.35 -0.21 -2.66 115.58 120.58 1j0e h ASN 244 Ca 0.08 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.40 1j0e h ASN 244 Cb 0.55 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 1j0e h ASN 244 CO 0.04 0.41 0.40 0.74 -1.65 0.00 0.00 177.43 177.37 1j0e h THR 245 N -0.47 1.22 -0.73 2.81 2.02 -0.35 -1.58 112.91 115.83 1j0e h THR 245 Ca -0.00 -0.55 0.08 0.00 0.77 0.00 0.00 66.41 66.71 1j0e h THR 245 Cb 0.44 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 1j0e h THR 245 CO 0.01 0.24 0.40 0.00 0.37 0.00 0.00 175.52 176.54 1j0e h ALA 246 N 1.21 1.00 -0.78 6.16 0.00 -0.95 -0.07 119.26 125.83 1j0e h ALA 246 Ca 0.26 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1j0e h ALA 246 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1j0e h ALA 246 CO -0.04 0.05 0.36 0.87 0.00 0.00 0.00 179.25 180.48 1j0e h LYS 247 N 0.70 1.13 0.69 0.00 1.79 -1.06 0.58 116.57 120.41 1j0e h LYS 247 Ca 0.34 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1j0e h LYS 247 Cb 0.28 -0.20 0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1j0e h LYS 247 CO -0.22 0.89 -0.33 -0.07 -1.08 0.00 0.00 179.45 178.63 1j0e h LEU 248 N 1.10 -0.79 0.00 2.94 3.38 -0.13 -3.00 115.31 118.82 1j0e h LEU 248 Ca 0.26 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1j0e h LEU 248 Cb 0.15 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1j0e h LEU 248 CO -0.03 -0.55 0.00 2.30 0.09 0.00 0.00 178.44 180.25 1j0e n ILE 249 N -5.48 0.18 -0.29 1.22 -5.35 -0.21 -4.89 119.36 104.54 1j0e n ILE 249 Ca -0.14 0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1j0e n ILE 249 Cb 0.38 -0.63 0.00 0.00 -1.74 0.00 0.00 39.64 37.65 1j0e n ILE 249 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j0e n GLY 250 N 0.82 0.85 3.69 3.28 0.00 -0.15 -3.57 105.19 110.12 1j0e n GLY 250 Ca 0.13 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1j0e n GLY 250 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j0e s VAL 251 N -2.00 4.14 0.12 1.61 1.01 0.19 -4.93 120.40 120.54 1j0e s VAL 251 Ca 0.00 1.49 -0.07 0.00 0.00 0.00 0.00 61.98 63.41 1j0e s VAL 251 Cb 0.00 -3.96 -0.19 0.00 0.00 0.00 0.00 36.38 32.23 1j0e s VAL 251 CO 0.00 0.02 1.28 -0.08 0.00 0.00 0.00 175.10 176.32 1j0e h GLU 252 N 7.41 0.49 -6.37 2.72 4.57 -1.96 -3.37 114.58 118.06 1j0e h GLU 252 Ca -0.36 -0.52 -0.63 0.00 -1.18 0.00 0.00 59.36 56.67 1j0e h GLU 252 Cb 1.17 0.14 0.09 0.00 -0.16 0.00 0.00 28.75 30.00 1j0e h GLU 252 CO 0.87 1.16 0.19 1.58 -1.18 0.00 0.00 179.01 181.63 1j0e n HIS 253 N -3.78 1.23 -4.37 0.92 -0.00 -1.26 -4.99 115.22 102.97 1j0e n HIS 253 Ca -0.08 0.69 -0.34 0.00 0.46 0.00 0.00 57.72 58.46 1j0e n HIS 253 Cb 0.84 -2.26 -0.12 0.00 -0.12 0.00 0.00 29.99 28.33 1j0e n HIS 253 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1j0e s GLU 254 N -0.82 3.66 -0.30 1.57 2.12 -1.26 -4.97 118.70 118.70 1j0e s GLU 254 Ca 0.68 -0.52 -0.21 0.00 0.36 0.00 0.00 54.97 55.27 1j0e s GLU 254 Cb -0.80 -2.92 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 1j0e s GLU 254 CO 0.55 0.21 0.67 -0.06 -0.54 0.00 0.00 175.26 176.10 1j0e s PHE 255 N 0.43 3.22 -0.40 5.30 0.40 -1.26 -4.90 117.98 120.78 1j0e s PHE 255 Ca -0.04 0.67 0.17 0.00 -0.60 0.00 0.00 56.93 57.13 1j0e s PHE 255 Cb -0.14 -3.04 -0.23 0.00 0.51 0.00 0.00 43.02 40.12 1j0e s PHE 255 CO 0.03 -0.48 0.55 1.63 0.70 0.00 0.00 175.22 177.64 1j0e n LYS 256 N 5.95 0.93 -3.61 0.44 4.01 -1.26 -4.93 118.16 119.69 1j0e n LYS 256 Ca 0.00 -0.08 0.01 0.00 -0.51 0.00 0.00 58.31 57.73 1j0e n LYS 256 Cb 0.49 -1.36 -0.01 0.00 -0.51 0.00 0.00 35.03 33.64 1j0e n LYS 256 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1j0e s ASP 257 N -3.35 -0.06 0.21 4.39 2.15 -1.26 -5.14 116.67 113.61 1j0e s ASP 257 Ca -0.00 -0.09 -0.22 0.00 0.43 0.00 0.00 52.55 52.66 1j0e s ASP 257 Cb 0.12 0.13 0.05 0.00 -0.30 0.00 0.00 42.92 42.92 1j0e s ASP 257 CO 0.72 -0.23 0.67 0.72 -0.17 0.00 0.00 175.17 176.87 1j0e s PHE 258 N -2.34 -0.37 -0.43 -5.34 -0.12 -1.26 -5.12 117.98 103.00 1j0e s PHE 258 Ca 0.14 0.05 -0.29 0.00 -0.05 0.00 0.00 56.93 56.78 1j0e s PHE 258 Cb 0.04 0.63 0.01 0.00 -0.63 0.00 0.00 43.02 43.07 1j0e s PHE 258 CO -0.04 -1.01 1.41 0.99 -0.05 0.00 0.00 175.22 176.51 1j0e s THR 259 N -3.80 3.90 -0.37 -4.49 2.01 -1.26 -4.96 115.64 106.66 1j0e s THR 259 Ca 0.06 0.91 0.02 0.00 0.31 0.00 0.00 61.69 62.98 1j0e s THR 259 Cb -0.03 -4.23 0.11 0.00 0.01 0.00 0.00 72.50 68.36 1j0e s THR 259 CO -0.04 -0.80 0.13 -0.22 -0.69 0.00 0.00 174.62 173.01 1j0e s LEU 260 N 5.48 3.33 -0.08 4.42 2.96 -1.26 -0.55 118.68 132.98 1j0e s LEU 260 Ca 0.60 -2.17 -0.30 0.00 -0.22 0.00 0.00 54.13 52.05 1j0e s LEU 260 Cb -0.13 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 1j0e s LEU 260 CO 0.32 -0.35 1.21 -0.62 -1.32 0.00 0.00 176.35 175.59 1j0e s ASP 261 N 0.91 7.03 0.00 3.68 -1.08 0.49 -4.85 116.67 122.85 1j0e s ASP 261 Ca 0.13 1.79 0.18 0.00 -0.52 0.00 0.00 52.55 54.13 1j0e s ASP 261 Cb -0.20 -2.55 0.32 0.00 -1.46 0.00 0.00 42.92 39.02 1j0e s ASP 261 CO -0.12 -0.62 1.25 0.35 0.52 0.00 0.00 175.17 176.55 1j0e n THR 262 N 4.76 0.49 1.34 1.71 -2.24 -1.26 -1.19 114.28 117.88 1j0e n THR 262 Ca 0.12 -0.75 0.11 0.00 -2.27 0.00 0.00 64.05 61.26 1j0e n THR 262 Cb 0.46 0.95 0.65 0.00 -2.10 0.00 0.00 70.33 70.29 1j0e n THR 262 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j0e n ARG 263 N 1.10 0.62 0.00 -0.78 1.74 -1.26 -3.92 116.66 114.16 1j0e n ARG 263 Ca 0.15 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1j0e n ARG 263 Cb 0.50 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1j0e n ARG 263 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1j0e n PHE 264 N -1.07 0.00 0.19 -1.55 3.72 -1.26 -4.76 117.46 112.73 1j0e n PHE 264 Ca 0.16 -0.11 0.05 0.00 -0.05 0.00 0.00 57.45 57.50 1j0e n PHE 264 Cb 0.10 -0.01 0.36 0.00 -0.94 0.00 0.00 39.48 39.00 1j0e n PHE 264 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j0e h ALA 265 N 0.00 1.07 -2.43 4.37 0.00 -1.68 -3.46 119.26 117.13 1j0e h ALA 265 Ca 0.00 -0.34 -0.53 0.00 0.00 0.00 0.00 54.91 54.04 1j0e h ALA 265 Cb 0.37 -0.06 0.19 0.00 0.00 0.00 0.00 17.79 18.30 1j0e h ALA 265 CO 0.00 0.46 0.07 2.48 0.00 0.00 0.00 179.25 182.26 1j0e n TYR 266 N -3.63 0.47 0.52 0.00 4.11 -1.26 -2.86 117.16 114.51 1j0e n TYR 266 Ca -0.01 0.37 0.12 0.00 -0.00 0.00 0.00 57.90 58.39 1j0e n TYR 266 Cb 0.48 -2.00 0.45 0.00 -0.00 0.00 0.00 39.34 38.27 1j0e n TYR 266 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1j0e n PRO 267 N -2.98 0.22 0.00 -3.48 -0.04 -1.26 -4.05 135.00 123.41 1j0e n PRO 267 Ca 0.12 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1j0e n PRO 267 Cb 0.51 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1j0e n PRO 267 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j0e n TYR 269 N -0.33 1.85 -0.16 0.00 9.36 -1.20 -1.79 117.16 124.88 1j0e n TYR 269 Ca 0.00 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.69 1j0e n TYR 269 Cb 0.00 -2.43 0.00 0.00 -0.63 0.00 0.00 39.34 36.28 1j0e n TYR 269 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1j0e n GLY 270 N 2.93 1.61 3.16 2.98 0.00 -1.26 -4.67 105.19 109.94 1j0e n GLY 270 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1j0e n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j0e s VAL 271 N -2.79 1.94 0.30 1.61 1.01 -0.74 -4.73 120.40 117.00 1j0e s VAL 271 Ca 0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1j0e s VAL 271 Cb 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 1j0e s VAL 271 CO 0.00 0.53 0.79 -2.16 0.00 0.00 0.00 175.10 174.26 1j0e s PRO 272 N 0.75 4.21 0.62 2.72 0.04 -1.25 -4.07 135.00 138.02 1j0e s PRO 272 Ca -0.10 0.90 0.03 0.00 0.04 0.00 0.00 61.00 61.87 1j0e s PRO 272 Cb -0.16 -2.62 0.09 0.00 0.04 0.00 0.00 34.50 31.85 1j0e s PRO 272 CO 0.00 0.24 0.86 0.54 0.04 0.00 0.00 177.00 178.69 1j0e s ASN 273 N -1.93 4.83 0.53 6.66 4.22 -1.26 -4.80 114.94 123.20 1j0e s ASN 273 Ca 0.50 -0.39 0.19 0.00 -2.14 0.00 0.00 52.86 51.02 1j0e s ASN 273 Cb -0.14 -0.20 1.36 0.00 1.28 0.00 0.00 41.25 43.55 1j0e s ASN 273 CO 0.19 -1.49 2.14 -0.33 -2.04 0.00 0.00 177.10 175.57 1j0e h GLU 274 N -0.14 0.00 0.00 3.55 5.08 -1.98 -1.11 114.58 119.98 1j0e h GLU 274 Ca -0.36 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.87 1j0e h GLU 274 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1j0e h GLU 274 CO 0.43 0.00 -0.60 0.78 -1.00 0.00 0.00 179.01 178.62 1j0e h GLY 275 N 0.00 0.00 0.79 -3.84 0.00 -1.99 -2.27 103.07 95.77 1j0e h GLY 275 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1j0e h GLY 275 CO -0.00 0.00 0.01 -0.84 0.00 0.00 0.00 176.54 175.71 1j0e h THR 276 N 0.00 1.20 -0.85 4.70 2.02 -1.51 0.64 112.91 119.10 1j0e h THR 276 Ca -0.01 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1j0e h THR 276 Cb 1.15 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.00 1j0e h THR 276 CO 0.08 0.17 0.42 0.40 0.37 0.00 0.00 175.52 176.96 1j0e h ILE 277 N -0.12 1.26 -0.49 3.11 1.08 -1.45 0.14 117.51 121.04 1j0e h ILE 277 Ca 0.02 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 63.76 1j0e h ILE 277 Cb 0.26 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 1j0e h ILE 277 CO 0.00 0.31 0.21 -0.33 -0.69 0.00 0.00 178.15 177.64 1j0e h GLU 278 N 1.21 0.73 0.11 2.37 5.08 -1.22 -0.84 114.58 122.03 1j0e h GLU 278 Ca 0.30 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1j0e h GLU 278 Cb 0.10 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1j0e h GLU 278 CO -0.04 0.64 -0.05 0.00 -1.00 0.00 0.00 179.01 178.56 1j0e h ALA 279 N 1.05 -0.14 -0.59 3.43 0.00 -0.27 0.80 119.26 123.54 1j0e h ALA 279 Ca 0.17 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1j0e h ALA 279 Cb 0.18 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1j0e h ALA 279 CO -0.02 -0.57 0.30 0.82 0.00 0.00 0.00 179.25 179.78 1j0e h ILE 280 N -0.15 0.92 -0.34 0.00 2.04 -0.81 -0.00 117.51 119.16 1j0e h ILE 280 Ca -0.01 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1j0e h ILE 280 Cb 0.12 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1j0e h ILE 280 CO 0.02 0.10 0.20 0.03 0.00 0.00 0.00 178.15 178.50 1j0e h ARG 281 N 0.55 0.46 0.09 2.37 2.47 -0.87 -1.55 114.38 117.90 1j0e h ARG 281 Ca 0.27 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.94 1j0e h ARG 281 Cb 0.21 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1j0e h ARG 281 CO -0.20 0.36 -0.04 1.15 0.56 0.00 0.00 179.97 181.80 1j0e h THR 282 N 0.43 1.00 -0.82 2.04 2.02 -0.21 0.14 112.91 117.52 1j0e h THR 282 Ca 0.12 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 67.03 1j0e h THR 282 Cb 0.02 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 1j0e h THR 282 CO -0.02 0.08 0.52 0.00 0.37 0.00 0.00 175.52 176.46 1j0e h ALA 284 N 1.36 0.52 0.00 0.00 0.00 -1.12 -0.27 119.26 119.75 1j0e h ALA 284 Ca 0.34 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1j0e h ALA 284 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1j0e h ALA 284 CO -0.14 0.69 -0.54 0.93 0.00 0.00 0.00 179.25 180.20 1j0e h GLU 285 N 0.53 0.00 0.13 0.00 5.08 -0.46 -1.27 114.58 118.59 1j0e h GLU 285 Ca -0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.99 1j0e h GLU 285 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1j0e h GLU 285 CO 0.13 0.54 -1.97 1.96 -1.00 0.00 0.00 179.01 178.66 1j0e h GLN 286 N 0.00 0.28 0.00 2.33 1.08 -1.21 -3.43 115.11 114.16 1j0e h GLN 286 Ca -0.01 -0.48 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1j0e h GLN 286 Cb 1.07 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1j0e h GLN 286 CO 0.07 1.23 -0.32 0.39 -0.95 0.00 0.00 178.83 179.25 1j0e n GLU 287 N -3.49 4.97 -1.13 1.46 -0.58 -0.12 -4.60 120.64 117.14 1j0e n GLU 287 Ca -0.31 -0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.38 1j0e n GLU 287 Cb 1.05 -0.71 -0.02 0.00 -0.57 0.00 0.00 31.44 31.19 1j0e n GLU 287 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j0e n GLY 288 N 1.30 0.73 3.75 0.62 0.00 -0.48 -5.00 105.19 106.10 1j0e n GLY 288 Ca 0.00 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 1j0e n GLY 288 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j0e s VAL 289 N -2.12 4.95 -0.17 1.61 1.01 -1.25 -4.98 120.40 119.45 1j0e s VAL 289 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 1j0e s VAL 289 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1j0e s VAL 289 CO 0.00 0.56 0.08 -0.76 0.00 0.00 0.00 175.10 174.98 1j0e s LEU 290 N -0.53 3.94 0.16 3.92 1.43 -1.26 -3.06 118.68 123.28 1j0e s LEU 290 Ca 0.11 0.16 0.10 0.00 -1.03 0.00 0.00 54.13 53.47 1j0e s LEU 290 Cb -0.12 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1j0e s LEU 290 CO 0.02 0.22 -0.21 0.42 0.23 0.00 0.00 176.35 177.03 1j0e s THR 291 N 0.11 2.02 0.26 5.49 -4.23 -1.26 -4.74 115.64 113.28 1j0e s THR 291 Ca 0.06 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 1j0e s THR 291 Cb -0.12 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 1j0e s THR 291 CO 0.00 -0.18 0.41 1.51 -0.54 0.00 0.00 174.62 175.82 1j0e s ASP 292 N -2.52 6.32 0.57 3.99 -4.77 -1.26 -4.63 116.67 114.36 1j0e s ASP 292 Ca 0.16 0.19 0.37 0.00 -3.30 0.00 0.00 52.55 49.97 1j0e s ASP 292 Cb -0.07 -1.91 1.87 0.00 -1.09 0.00 0.00 42.92 41.71 1j0e s ASP 292 CO 0.07 -0.13 2.13 -0.65 0.70 0.00 0.00 175.17 177.30 1j0e h PRO 293 N 1.12 0.00 0.03 2.11 0.11 -1.94 0.15 132.00 133.58 1j0e h PRO 293 Ca -0.51 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.22 1j0e h PRO 293 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1j0e h PRO 293 CO 0.62 0.00 -2.20 0.28 -0.21 0.00 0.00 178.00 176.48 1j0e n VAL 294 N -2.94 1.58 0.00 3.15 0.31 -1.26 -3.81 118.33 115.36 1j0e n VAL 294 Ca -0.01 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1j0e n VAL 294 Cb 0.15 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 1j0e n VAL 294 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1j0e n PHE 295 N -3.74 0.00 -0.32 3.52 3.01 -1.24 -4.56 117.46 114.12 1j0e n PHE 295 Ca -0.43 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.09 1j0e n PHE 295 Cb 0.93 0.00 0.25 0.00 -0.01 0.00 0.00 39.48 40.65 1j0e n PHE 295 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1j0e h GLU 296 N 0.00 0.96 -0.99 -1.08 4.39 -1.84 -1.32 114.58 114.70 1j0e h GLU 296 Ca 0.00 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.71 1j0e h GLU 296 Cb 0.00 -0.22 -0.07 0.00 -0.10 0.00 0.00 28.75 28.37 1j0e h GLU 296 CO 0.00 0.63 0.64 0.78 -1.16 0.00 0.00 179.01 179.90 1j0e h GLY 297 N 0.99 1.50 1.27 -3.84 0.00 -0.96 0.44 103.07 102.46 1j0e h GLY 297 Ca 0.44 -0.46 -0.21 0.00 0.00 0.00 0.00 47.33 47.10 1j0e h GLY 297 CO -0.19 0.31 -0.73 0.50 0.00 0.00 0.00 176.54 176.42 1j0e h LYS 298 N 1.13 0.73 -0.46 4.80 1.57 -1.44 0.11 116.57 123.00 1j0e h LYS 298 Ca 0.43 -0.57 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 1j0e h LYS 298 Cb 0.22 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1j0e h LYS 298 CO -0.18 1.18 -0.15 0.66 -0.57 0.00 0.00 179.45 180.39 1j0e h SER 299 N 0.51 0.88 -0.45 0.86 4.64 -0.91 0.14 113.55 119.22 1j0e h SER 299 Ca -0.04 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1j0e h SER 299 Cb 1.35 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1j0e h SER 299 CO 0.15 1.03 0.09 -0.03 -0.87 0.00 0.00 176.83 177.19 1j0e h MET 300 N 0.77 0.73 -0.65 4.77 1.85 -0.05 -0.75 114.93 121.60 1j0e h MET 300 Ca 0.12 -0.19 0.04 0.00 -0.61 0.00 0.00 59.70 59.06 1j0e h MET 300 Cb 0.68 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.58 1j0e h MET 300 CO 0.05 0.74 0.39 0.37 -0.40 0.00 0.00 176.91 178.07 1j0e h GLN 301 N 0.60 0.74 0.24 0.39 4.15 -0.50 -0.80 115.11 119.93 1j0e h GLN 301 Ca 0.14 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1j0e h GLN 301 Cb 0.36 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1j0e h GLN 301 CO 0.01 0.49 -0.12 0.78 -1.93 0.00 0.00 178.83 178.06 1j0e h GLY 302 N 0.76 -0.34 -0.48 2.39 0.00 -0.67 -1.07 103.07 103.66 1j0e h GLY 302 Ca 0.27 0.13 0.13 0.00 0.00 0.00 0.00 47.33 47.85 1j0e h GLY 302 CO -0.12 -0.12 -0.26 -2.00 0.00 0.00 0.00 176.54 174.03 1j0e h LEU 303 N -0.47 -0.93 -0.57 3.11 6.46 -0.79 0.25 115.31 122.36 1j0e h LEU 303 Ca -0.03 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1j0e h LEU 303 Cb 0.35 0.52 -0.03 0.00 -0.73 0.00 0.00 40.66 40.78 1j0e h LEU 303 CO 0.06 -0.27 0.37 0.40 -0.62 0.00 0.00 178.44 178.37 1j0e h ILE 304 N -0.07 1.15 -0.03 4.05 2.04 -0.98 -1.15 117.51 122.52 1j0e h ILE 304 Ca 0.30 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1j0e h ILE 304 Cb 0.55 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1j0e h ILE 304 CO -0.74 0.15 0.01 0.00 0.00 0.00 0.00 178.15 177.57 1j0e h ALA 305 N 1.20 0.04 -0.91 1.87 0.00 0.37 -1.74 119.26 120.09 1j0e h ALA 305 Ca 0.21 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1j0e h ALA 305 Cb -0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1j0e h ALA 305 CO -0.04 -0.37 0.58 -0.07 0.00 0.00 0.00 179.25 179.35 1j0e h LEU 306 N -0.13 0.76 0.14 0.00 4.07 -0.45 -1.52 115.31 118.18 1j0e h LEU 306 Ca 0.01 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1j0e h LEU 306 Cb 0.18 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1j0e h LEU 306 CO -0.00 0.42 -0.06 0.40 -1.08 0.00 0.00 178.44 178.11 1j0e h ILE 307 N 0.83 1.03 -0.86 1.22 2.04 -0.92 0.54 117.51 121.39 1j0e h ILE 307 Ca 0.44 -0.80 0.18 0.00 1.00 0.00 0.00 64.86 65.68 1j0e h ILE 307 Cb 0.54 1.52 -0.11 0.00 -0.74 0.00 0.00 36.82 38.02 1j0e h ILE 307 CO -0.20 0.19 0.40 0.11 0.00 0.00 0.00 178.15 178.65 1j0e h LYS 308 N -0.57 0.49 -1.04 2.37 1.57 -0.74 0.74 116.57 119.39 1j0e h LYS 308 Ca -0.02 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.50 1j0e h LYS 308 Cb 0.45 -0.11 -0.14 0.00 0.08 0.00 0.00 32.23 32.51 1j0e h LYS 308 CO 0.03 0.32 0.30 -0.85 -0.57 0.00 0.00 179.45 178.68 1j0e n GLU 309 N -4.96 1.57 -3.92 3.15 0.28 -0.63 -4.88 120.64 111.25 1j0e n GLU 309 Ca 0.19 -1.35 -0.25 0.00 -0.16 0.00 0.00 57.16 55.60 1j0e n GLU 309 Cb 0.54 -1.53 -0.07 0.00 1.43 0.00 0.00 31.44 31.81 1j0e n GLU 309 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1j0e n ASP 310 N -0.19 0.55 0.17 -1.84 8.00 0.25 -4.80 116.55 118.69 1j0e n ASP 310 Ca 0.27 -1.00 0.04 0.00 0.71 0.00 0.00 54.79 54.81 1j0e n ASP 310 Cb 1.00 -1.23 0.25 0.00 -0.02 0.00 0.00 41.12 41.11 1j0e n ASP 310 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1j0e h TYR 311 N -1.18 0.00 -2.72 1.24 3.20 -1.05 -3.44 116.97 113.01 1j0e h TYR 311 Ca -0.51 0.00 -0.66 0.00 3.14 0.00 0.00 58.73 60.70 1j0e h TYR 311 Cb 1.09 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.29 1j0e h TYR 311 CO 0.40 0.45 -0.43 -0.06 -1.64 0.00 0.00 178.16 176.88 1j0e s PHE 312 N -3.49 3.62 0.57 -3.82 0.08 -1.26 -5.07 117.98 108.61 1j0e s PHE 312 Ca 0.00 0.59 -0.19 0.00 0.12 0.00 0.00 56.93 57.45 1j0e s PHE 312 Cb 0.11 -1.99 -0.06 0.00 -0.57 0.00 0.00 43.02 40.51 1j0e s PHE 312 CO 0.71 0.71 0.99 0.36 -0.10 0.00 0.00 175.22 177.89 1j0e n LYS 313 N 1.85 1.01 -1.71 0.44 2.85 -1.26 -4.83 118.16 116.51 1j0e n LYS 313 Ca -0.18 0.38 -0.43 0.00 -1.05 0.00 0.00 58.31 57.03 1j0e n LYS 313 Cb 0.54 -2.17 -0.03 0.00 -0.65 0.00 0.00 35.03 32.72 1j0e n LYS 313 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1j0e n PRO 314 N -0.83 2.54 -1.00 -1.58 -0.02 -1.26 -1.48 135.00 131.37 1j0e n PRO 314 Ca 0.13 0.91 -0.00 0.00 -2.02 0.00 0.00 63.50 62.52 1j0e n PRO 314 Cb 0.46 -2.71 -0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1j0e n PRO 314 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j0e n GLY 315 N 3.38 0.37 3.72 -1.23 0.00 -0.81 -4.99 105.19 105.65 1j0e n GLY 315 Ca 0.15 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1j0e n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0e n ALA 316 N 1.00 1.47 -2.57 4.61 0.00 -0.55 -4.55 120.51 119.93 1j0e n ALA 316 Ca -0.00 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 1j0e n ALA 316 Cb 0.14 -2.32 -0.08 0.00 0.00 0.00 0.00 19.45 17.20 1j0e n ALA 316 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1j0e s ASN 317 N -0.72 6.21 -0.21 0.00 0.01 -1.26 -0.67 114.94 118.29 1j0e s ASN 317 Ca 0.66 -0.73 -0.08 0.00 -0.71 0.00 0.00 52.86 52.00 1j0e s ASN 317 Cb -0.45 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 1j0e s ASN 317 CO 0.54 -0.66 0.09 -0.69 -1.51 0.00 0.00 177.10 174.86 1j0e s VAL 318 N 2.26 4.88 -0.51 1.60 1.01 0.77 -0.51 120.40 129.90 1j0e s VAL 318 Ca 0.13 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 1j0e s VAL 318 Cb -0.18 -3.24 0.12 0.00 0.00 0.00 0.00 36.38 33.08 1j0e s VAL 318 CO 0.13 0.40 0.43 -0.22 0.00 0.00 0.00 175.10 175.85 1j0e s LEU 319 N 0.80 5.93 0.13 3.92 2.96 0.18 -0.13 118.68 132.48 1j0e s LEU 319 Ca 0.05 -1.76 -0.29 0.00 -0.22 0.00 0.00 54.13 51.90 1j0e s LEU 319 Cb -0.13 -2.14 -0.07 0.00 0.50 0.00 0.00 46.19 44.36 1j0e s LEU 319 CO 0.02 -0.77 0.93 -0.47 -1.32 0.00 0.00 176.35 174.74 1j0e s TYR 320 N 1.53 3.85 -0.42 5.38 5.04 0.33 -0.70 117.35 132.36 1j0e s TYR 320 Ca 0.04 1.79 -0.12 0.00 -2.44 0.00 0.00 57.07 56.34 1j0e s TYR 320 Cb -0.28 -3.00 0.06 0.00 0.35 0.00 0.00 41.96 39.09 1j0e s TYR 320 CO 0.02 0.28 0.29 0.08 -1.34 0.00 0.00 175.55 174.88 1j0e s VAL 321 N -0.32 4.65 -0.55 3.14 1.01 0.12 -1.09 120.40 127.36 1j0e s VAL 321 Ca 0.44 -1.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 1j0e s VAL 321 Cb -0.24 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.42 1j0e s VAL 321 CO 0.29 -0.46 1.16 -2.28 0.00 0.00 0.00 175.10 173.82 1j0e s HIS 322 N 1.53 2.68 -0.97 5.22 2.46 -0.41 -4.62 115.29 121.18 1j0e s HIS 322 Ca 0.03 0.48 0.27 0.00 0.47 0.00 0.00 55.06 56.32 1j0e s HIS 322 Cb -0.22 -4.46 0.94 0.00 -0.13 0.00 0.00 32.58 28.70 1j0e s HIS 322 CO 0.05 -1.47 1.73 1.28 -2.47 0.00 0.00 174.74 173.85 1j0e n LEU 323 N 8.20 0.24 0.00 8.88 4.77 -1.26 -1.16 117.00 136.67 1j0e n LEU 323 Ca 0.09 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1j0e n LEU 323 Cb 0.49 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1j0e n LEU 323 CO 0.71 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1j0e n GLY 324 N 1.48 0.18 2.40 -0.72 0.00 -1.26 -1.03 105.19 106.24 1j0e n GLY 324 Ca 0.06 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1j0e n GLY 324 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0e n GLY 325 N 0.00 1.03 0.32 -0.02 0.00 -1.26 -4.67 105.19 100.59 1j0e n GLY 325 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 1j0e n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0e h ALA 326 N 0.00 1.06 0.00 4.61 0.00 -1.92 -2.83 119.26 120.18 1j0e h ALA 326 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1j0e h ALA 326 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1j0e h ALA 326 CO 0.00 0.01 -0.08 -1.35 0.00 0.00 0.00 179.25 177.83 1j0e h PRO 327 N 0.00 0.00 0.00 0.00 0.11 -1.98 -2.38 132.00 127.74 1j0e h PRO 327 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1j0e h PRO 327 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1j0e h PRO 327 CO 0.00 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 177.87 1j0e h ALA 328 N 1.92 1.00 -1.03 -0.75 0.00 -1.83 -3.31 119.26 115.26 1j0e h ALA 328 Ca -0.00 0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.20 1j0e h ALA 328 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1j0e h ALA 328 CO 0.01 0.00 0.73 -0.07 0.00 0.00 0.00 179.25 179.92 1j0e h LEU 329 N 0.00 0.09 -0.82 0.00 3.38 -1.62 0.20 115.31 116.55 1j0e h LEU 329 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1j0e h LEU 329 Cb 0.51 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1j0e h LEU 329 CO 0.00 0.02 0.00 0.28 0.09 0.00 0.00 178.44 178.83 1j0e h SER 330 N 0.08 0.00 -0.25 -0.43 0.02 -1.81 -1.70 113.55 109.45 1j0e h SER 330 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1j0e h SER 330 Cb 1.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.41 1j0e h SER 330 CO -0.06 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.63 1j0e n ALA 331 N -1.84 2.48 -2.34 3.77 0.00 0.72 -3.87 120.51 119.42 1j0e n ALA 331 Ca 0.02 -0.52 0.02 0.00 0.00 0.00 0.00 53.44 52.96 1j0e n ALA 331 Cb 0.26 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.69 1j0e n ALA 331 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j0e n TYR 332 N 0.34 0.00 0.10 0.00 4.02 -0.65 -4.79 117.16 116.18 1j0e n TYR 332 Ca 0.13 -0.37 0.18 0.00 -0.01 0.00 0.00 57.90 57.82 1j0e n TYR 332 Cb 0.28 -0.09 0.72 0.00 -0.02 0.00 0.00 39.34 40.23 1j0e n TYR 332 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1j0e h SER 333 N 0.69 0.00 0.40 7.72 4.64 -1.65 -1.85 113.55 123.50 1j0e h SER 333 Ca -0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1j0e h SER 333 Cb 1.74 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1j0e h SER 333 CO 0.05 0.00 -0.06 0.77 -0.87 0.00 0.00 176.83 176.73 1j0e h SER 334 N 0.00 0.00 0.32 4.97 4.64 -1.91 -2.56 113.55 119.01 1j0e h SER 334 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1j0e h SER 334 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1j0e h SER 334 CO -0.00 0.06 0.00 0.49 -0.87 0.00 0.00 176.83 176.51 1j0e n PHE 335 N -3.38 0.00 -3.33 4.77 3.01 -0.70 -4.37 117.46 113.46 1j0e n PHE 335 Ca -0.02 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.18 1j0e n PHE 335 Cb 0.20 -0.17 -0.07 0.00 -0.01 0.00 0.00 39.48 39.43 1j0e n PHE 335 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1j0e n PHE 336 N -1.17 2.68 -1.81 1.38 3.72 -0.96 -5.03 117.46 116.26 1j0e n PHE 336 Ca 0.17 -4.00 -0.40 0.00 -0.05 0.00 0.00 57.45 53.17 1j0e n PHE 336 Cb 0.18 -0.50 0.01 0.00 -0.94 0.00 0.00 39.48 38.22 1j0e n PHE 336 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1j0e s PRO 337 N -2.24 3.87 0.38 -1.08 0.02 -1.26 -4.88 135.00 129.80 1j0e s PRO 337 Ca 0.39 2.48 -0.24 0.00 0.02 0.00 0.00 61.00 63.65 1j0e s PRO 337 Cb 0.17 -2.79 -0.13 0.00 0.02 0.00 0.00 34.50 31.77 1j0e s PRO 337 CO -0.04 -0.69 0.74 2.41 -0.33 0.00 0.00 177.00 179.09 1j0e n THR 338 N 0.09 1.99 -2.61 0.99 -1.04 -1.26 -4.87 114.28 107.58 1j0e n THR 338 Ca 0.03 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.11 1j0e n THR 338 Cb 0.41 -0.72 -0.02 0.00 -1.82 0.00 0.00 70.33 68.18 1j0e n THR 338 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1j0e s LYS 339 N -1.62 3.84 0.19 -2.82 2.20 -1.26 -4.97 119.74 115.29 1j0e s LYS 339 Ca 0.62 0.74 -0.32 0.00 -0.36 0.00 0.00 55.97 56.65 1j0e s LYS 339 Cb -0.64 -3.85 -0.15 0.00 -1.51 0.00 0.00 37.83 31.67 1j0e s LYS 339 CO 0.58 -1.23 1.19 2.41 -0.36 0.00 0.00 175.35 177.94 1j0e n THR 340 N 6.53 1.00 1.48 3.43 -1.04 -1.26 -5.34 114.28 119.07 1j0e n THR 340 Ca 0.12 -0.25 0.12 0.00 -2.04 0.00 0.00 64.05 62.00 1j0e n THR 340 Cb 0.48 -0.95 0.70 0.00 -1.82 0.00 0.00 70.33 68.74 1j0e n THR 340 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43