#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1szr s PHE 15 N 0.00 3.18 0.03 -1.55 0.40 -1.26 -3.10 117.98 115.67 1szr s PHE 15 Ca 0.00 1.00 0.02 0.00 -0.60 0.00 0.00 56.93 57.35 1szr s PHE 15 Cb 0.00 -3.16 -0.02 0.00 0.51 0.00 0.00 43.02 40.35 1szr s PHE 15 CO 0.00 -1.39 -0.07 -0.51 0.70 0.00 0.00 175.22 173.95 1szr s LEU 16 N -5.47 2.21 0.64 -0.37 1.02 -0.86 -4.86 118.68 110.99 1szr s LEU 16 Ca 0.59 -0.47 -0.12 0.00 0.02 0.00 0.00 54.13 54.15 1szr s LEU 16 Cb -0.12 -0.18 -0.02 0.00 0.02 0.00 0.00 46.19 45.89 1szr s LEU 16 CO 0.52 -0.16 1.05 -0.70 0.02 0.00 0.00 176.35 177.07 1szr s GLU 17 N -1.32 3.25 0.00 1.70 2.12 -1.26 -4.72 118.70 118.47 1szr s GLU 17 Ca -0.08 0.97 0.00 0.00 0.36 0.00 0.00 54.97 56.22 1szr s GLU 17 Cb -0.09 -2.03 0.00 0.00 0.26 0.00 0.00 34.13 32.27 1szr s GLU 17 CO 0.00 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.29 1szr n GLY 18 N -1.87 3.63 0.00 -1.50 0.00 -1.26 -4.38 105.19 99.81 1szr n GLY 18 Ca 0.07 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1szr n GLY 18 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1szr n PHE 19 N -0.99 0.00 -3.14 1.61 3.01 -1.26 -4.88 117.46 111.80 1szr n PHE 19 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 1szr n PHE 19 Cb 0.00 -0.31 0.02 0.00 -0.01 0.00 0.00 39.48 39.19 1szr n PHE 19 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1szr n ASN 20 N -1.42 1.05 -0.03 4.37 6.94 -1.26 -4.62 115.26 120.29 1szr n ASN 20 Ca 0.00 -1.68 -0.13 0.00 -0.02 0.00 0.00 54.58 52.75 1szr n ASN 20 Cb 0.00 -0.15 -0.09 0.00 -2.36 0.00 0.00 39.78 37.19 1szr n ASN 20 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1szr h THR 21 N 0.15 1.39 0.00 5.53 2.02 -1.99 -2.96 112.91 117.05 1szr h THR 21 Ca -0.12 -1.30 -0.04 0.00 0.77 0.00 0.00 66.41 65.72 1szr h THR 21 Cb 0.53 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1szr h THR 21 CO 0.18 0.36 -0.17 0.03 0.37 0.00 0.00 175.52 176.28 1szr h ARG 22 N -0.30 0.00 -0.08 6.66 -0.00 -2.00 -2.50 114.38 116.16 1szr h ARG 22 Ca 0.01 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.36 1szr h ARG 22 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.59 1szr h ARG 22 CO 0.02 0.17 -0.45 0.22 0.00 0.00 0.00 179.97 179.93 1szr h ASP 23 N 0.00 0.54 0.27 7.04 1.82 -1.97 -3.31 116.42 120.81 1szr h ASP 23 Ca -0.00 -0.66 -0.06 0.00 -0.39 0.00 0.00 57.03 55.92 1szr h ASP 23 Cb 0.44 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 1szr h ASP 23 CO 0.02 1.11 -0.27 0.00 -1.61 0.00 0.00 179.24 178.50 1szr h ALA 24 N 0.44 1.55 0.24 -0.78 0.00 -1.28 -2.89 119.26 116.54 1szr h ALA 24 Ca -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1szr h ALA 24 Cb 1.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1szr h ALA 24 CO 0.09 0.34 -0.11 -0.07 0.00 0.00 0.00 179.25 179.50 1szr h LEU 25 N 0.00 -0.27 -1.73 0.00 3.38 -1.58 -3.11 115.31 112.01 1szr h LEU 25 Ca -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1szr h LEU 25 Cb 0.48 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1szr h LEU 25 CO 0.03 -0.05 0.08 0.00 0.09 0.00 0.00 178.44 178.59 1szr h LYS 27 N 0.25 -0.11 0.00 0.00 1.63 -1.50 -3.23 116.57 113.62 1szr h LYS 27 Ca 0.07 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.82 1szr h LYS 27 Cb 0.05 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1szr h LYS 27 CO -0.01 0.05 -0.24 -0.22 -3.45 0.00 0.00 179.45 175.58 1szr h LYS 28 N -0.25 0.00 -6.13 1.90 3.64 -1.41 -3.42 116.57 110.90 1szr h LYS 28 Ca -0.01 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.84 1szr h LYS 28 Cb 0.21 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1szr h LYS 28 CO 0.02 0.24 1.30 0.42 -2.27 0.00 0.00 179.45 179.16 1szr s ILE 29 N -4.31 3.45 0.00 2.00 1.01 -1.16 -5.15 121.20 117.04 1szr s ILE 29 Ca -0.03 0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.99 1szr s ILE 29 Cb 0.14 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1szr s ILE 29 CO 0.68 -0.73 0.57 -1.54 0.00 0.00 0.00 174.94 173.91 1szr n SER 30 N 11.52 -0.27 -2.88 3.58 3.41 -1.26 -5.03 113.62 122.68 1szr n SER 30 Ca 0.21 -1.14 -0.12 0.00 -0.26 0.00 0.00 58.87 57.55 1szr n SER 30 Cb 0.50 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.54 1szr n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1szr n GLY 37 N 0.00 0.76 3.76 5.00 0.00 -1.26 -5.26 105.19 108.19 1szr n GLY 37 Ca -0.08 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1szr n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1szr s ASP 38 N -1.31 5.42 0.57 1.61 1.01 -1.26 -4.62 116.67 118.09 1szr s ASP 38 Ca 0.33 2.27 -0.17 0.00 0.71 0.00 0.00 52.55 55.69 1szr s ASP 38 Cb 0.19 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1szr s ASP 38 CO -0.20 -1.43 1.06 -2.16 0.21 0.00 0.00 175.17 172.65 1szr s PRO 39 N -3.35 3.43 -0.03 8.23 0.04 -1.26 -4.87 135.00 137.19 1szr s PRO 39 Ca 0.75 1.26 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 1szr s PRO 39 Cb -0.27 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.26 1szr s PRO 39 CO 0.31 -0.73 0.38 -0.59 0.04 0.00 0.00 177.00 176.41 1szr s PHE 40 N -2.31 -0.29 0.27 0.56 -0.12 -0.68 -3.57 117.98 111.85 1szr s PHE 40 Ca 0.65 0.49 -0.09 0.00 -0.05 0.00 0.00 56.93 57.92 1szr s PHE 40 Cb -0.16 0.15 -0.07 0.00 -0.63 0.00 0.00 43.02 42.31 1szr s PHE 40 CO 0.32 -0.41 0.59 -0.06 -0.05 0.00 0.00 175.22 175.62 1szr s PHE 41 N -1.15 3.43 -0.19 3.49 0.40 -0.27 -0.78 117.98 122.91 1szr s PHE 41 Ca -0.12 0.88 0.01 0.00 -0.60 0.00 0.00 56.93 57.10 1szr s PHE 41 Cb -0.04 -2.28 0.04 0.00 0.51 0.00 0.00 43.02 41.26 1szr s PHE 41 CO 0.05 0.19 -0.09 0.08 0.70 0.00 0.00 175.22 176.15 1szr s VAL 42 N -1.95 1.53 -0.34 -0.44 1.01 -0.31 -2.00 120.40 117.91 1szr s VAL 42 Ca 0.48 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1szr s VAL 42 Cb -0.11 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.68 1szr s VAL 42 CO 0.24 0.17 0.13 0.00 0.00 0.00 0.00 175.10 175.63 1szr s ALA 43 N 1.45 3.12 -0.92 5.51 0.00 -0.43 -1.62 121.76 128.87 1szr s ALA 43 Ca -0.01 -1.68 -0.24 0.00 0.00 0.00 0.00 51.96 50.04 1szr s ALA 43 Cb -0.16 -2.34 0.05 0.00 0.00 0.00 0.00 23.12 20.67 1szr s ALA 43 CO -0.08 -1.27 1.37 0.34 0.00 0.00 0.00 175.76 176.13 1szr s ASP 44 N 1.47 6.39 0.60 0.00 2.15 0.48 -1.88 116.67 125.89 1szr s ASP 44 Ca 0.00 -1.16 0.35 0.00 0.43 0.00 0.00 52.55 52.18 1szr s ASP 44 Cb -0.19 -2.56 1.94 0.00 -0.30 0.00 0.00 42.92 41.81 1szr s ASP 44 CO 0.04 -1.59 2.24 -0.07 -0.17 0.00 0.00 175.17 175.62 1szr h LEU 45 N 12.74 0.00 -0.69 -1.34 3.38 -1.73 -1.42 115.31 126.25 1szr h LEU 45 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1szr h LEU 45 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1szr h LEU 45 CO 1.37 0.03 -0.04 1.23 0.09 0.00 0.00 178.44 181.12 1szr h GLY 46 N 0.38 0.00 1.14 0.83 0.00 -1.89 -2.78 103.07 100.74 1szr h GLY 46 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1szr h GLY 46 CO 0.00 0.00 0.27 -1.80 0.00 0.00 0.00 176.54 175.01 1szr h ASP 47 N 0.00 1.01 -0.59 0.19 3.58 -1.63 -2.28 116.42 116.70 1szr h ASP 47 Ca -0.00 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.24 1szr h ASP 47 Cb 0.79 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.55 1szr h ASP 47 CO 0.00 0.91 0.18 0.40 -2.88 0.00 0.00 179.24 177.86 1szr h ILE 48 N 1.06 1.24 -0.42 2.25 2.04 -1.58 -1.61 117.51 120.49 1szr h ILE 48 Ca 0.24 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 1szr h ILE 48 Cb 0.23 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1szr h ILE 48 CO -0.02 0.32 0.12 0.58 0.00 0.00 0.00 178.15 179.15 1szr h VAL 49 N 0.92 1.22 0.00 1.67 2.07 -1.44 -2.25 116.25 118.44 1szr h VAL 49 Ca 0.20 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 1szr h VAL 49 Cb 0.28 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1szr h VAL 49 CO -0.01 0.27 -0.22 0.03 0.02 0.00 0.00 177.57 177.66 1szr h ARG 50 N 0.54 0.00 -0.19 1.57 3.08 -1.06 -1.69 114.38 116.63 1szr h ARG 50 Ca 0.13 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.99 1szr h ARG 50 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1szr h ARG 50 CO -0.00 0.22 -0.66 0.87 -1.07 0.00 0.00 179.97 179.33 1szr h LYS 51 N 0.00 0.71 -0.46 0.04 1.79 -1.09 -2.57 116.57 114.99 1szr h LYS 51 Ca -0.00 -0.51 -0.13 0.00 -2.18 0.00 0.00 60.65 57.82 1szr h LYS 51 Cb 0.57 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 1szr h LYS 51 CO 0.03 1.13 -0.24 1.25 -1.08 0.00 0.00 179.45 180.54 1szr h HIS 52 N 0.51 1.13 -0.66 -1.35 2.76 -0.95 -1.84 115.15 114.75 1szr h HIS 52 Ca -0.02 -0.28 -0.03 0.00 -2.20 0.00 0.00 60.37 57.84 1szr h HIS 52 Cb 1.26 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.93 1szr h HIS 52 CO 0.07 1.11 0.31 0.93 -1.30 0.00 0.00 177.93 179.05 1szr h GLU 53 N 0.82 0.95 -0.14 5.26 4.39 -1.35 -0.65 114.58 123.86 1szr h GLU 53 Ca 0.10 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 1szr h GLU 53 Cb 0.82 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1szr h GLU 53 CO 0.07 0.77 -0.15 1.15 -1.16 0.00 0.00 179.01 179.69 1szr h THR 54 N 0.91 1.19 -0.04 1.13 2.02 -1.39 -2.75 112.91 113.99 1szr h THR 54 Ca 0.23 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 1szr h THR 54 Cb 0.13 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1szr h THR 54 CO -0.03 0.26 -0.11 -0.25 0.37 0.00 0.00 175.52 175.76 1szr h TRP 55 N 0.22 0.19 0.00 3.16 2.91 -0.53 -1.79 115.95 120.11 1szr h TRP 55 Ca 0.04 -0.07 -0.00 0.00 1.13 0.00 0.00 58.89 59.99 1szr h TRP 55 Cb 0.40 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.02 1szr h TRP 55 CO 0.01 0.72 -0.02 0.87 -1.03 0.00 0.00 178.44 178.99 1szr h LYS 56 N -0.40 0.00 0.23 2.65 1.57 -1.11 0.14 116.57 119.65 1szr h LYS 56 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1szr h LYS 56 Cb 0.72 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.06 1szr h LYS 56 CO 0.02 0.02 -1.37 -0.22 -0.57 0.00 0.00 179.45 177.33 1szr h LYS 57 N 0.00 0.48 0.00 3.15 3.64 -1.48 -3.17 116.57 119.20 1szr h LYS 57 Ca -0.00 -0.83 -0.17 0.00 -1.27 0.00 0.00 60.65 58.38 1szr h LYS 57 Cb 0.03 0.31 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1szr h LYS 57 CO 0.00 1.40 -1.36 0.00 -2.27 0.00 0.00 179.45 177.22 1szr n LEU 59 N -2.94 0.78 0.27 0.00 4.77 0.47 -4.75 117.00 115.59 1szr n LEU 59 Ca -0.09 -4.87 0.15 0.00 -0.03 0.00 0.00 56.01 51.17 1szr n LEU 59 Cb 0.85 0.52 0.71 0.00 -2.33 0.00 0.00 43.42 43.18 1szr n LEU 59 CO 0.43 2.14 0.97 1.55 -1.33 0.00 0.00 177.39 181.15 1szr h PRO 60 N 3.70 0.00 -0.01 3.23 0.13 -1.69 -2.70 132.00 134.66 1szr h PRO 60 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1szr h PRO 60 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1szr h PRO 60 CO 0.51 0.08 -0.20 0.54 -0.23 0.00 0.00 178.00 178.71 1szr n ARG 61 N -3.30 0.76 -3.96 0.86 1.74 -1.26 -4.87 116.66 106.63 1szr n ARG 61 Ca -0.01 -0.38 -0.35 0.00 -0.77 0.00 0.00 57.85 56.35 1szr n ARG 61 Cb 0.29 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.10 1szr n ARG 61 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1szr s VAL 62 N -2.50 3.45 -0.28 1.55 1.01 -1.02 -4.16 120.40 118.46 1szr s VAL 62 Ca 0.26 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.53 1szr s VAL 62 Cb 0.20 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1szr s VAL 62 CO 0.50 0.43 0.83 -0.89 0.00 0.00 0.00 175.10 175.97 1szr s THR 63 N 1.37 4.79 -0.08 3.92 2.01 -0.55 -4.89 115.64 122.22 1szr s THR 63 Ca 0.04 1.42 -0.30 0.00 0.31 0.00 0.00 61.69 63.16 1szr s THR 63 Cb -0.14 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 1szr s THR 63 CO -0.02 -0.18 1.20 -2.16 -0.69 0.00 0.00 174.62 172.76 1szr s PRO 64 N 2.96 4.33 -0.41 4.92 0.04 -1.26 -1.74 135.00 143.84 1szr s PRO 64 Ca 0.35 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 62.95 1szr s PRO 64 Cb -0.14 -3.59 0.07 0.00 0.04 0.00 0.00 34.50 30.88 1szr s PRO 64 CO 0.10 -0.49 0.24 -0.06 0.04 0.00 0.00 177.00 176.83 1szr s PHE 65 N 2.43 3.34 0.17 0.56 0.40 0.20 -1.07 117.98 124.01 1szr s PHE 65 Ca 0.55 -1.53 -0.31 0.00 -0.60 0.00 0.00 56.93 55.04 1szr s PHE 65 Cb -0.24 -2.88 -0.10 0.00 0.51 0.00 0.00 43.02 40.32 1szr s PHE 65 CO 0.20 -0.83 1.55 -0.47 0.70 0.00 0.00 175.22 176.37 1szr s TYR 66 N 1.42 3.06 -0.69 0.36 5.04 -0.56 -3.77 117.35 122.21 1szr s TYR 66 Ca 0.03 0.68 -0.27 0.00 -2.44 0.00 0.00 57.07 55.07 1szr s TYR 66 Cb -0.22 -3.91 0.03 0.00 0.35 0.00 0.00 41.96 38.21 1szr s TYR 66 CO 0.02 -3.32 1.23 0.00 -1.34 0.00 0.00 175.55 172.14 1szr s ALA 67 N 1.00 2.85 0.38 3.97 0.00 -0.73 -0.07 121.76 129.15 1szr s ALA 67 Ca 0.69 -1.25 0.20 0.00 0.00 0.00 0.00 51.96 51.60 1szr s ALA 67 Cb -0.43 -4.16 1.09 0.00 0.00 0.00 0.00 23.12 19.62 1szr s ALA 67 CO 0.33 -3.07 1.95 -0.24 0.00 0.00 0.00 175.76 174.73 1szr h VAL 68 N 6.06 0.87 -0.34 0.00 3.04 -1.81 -2.47 116.25 121.61 1szr h VAL 68 Ca -0.27 -0.85 0.10 0.00 -1.01 0.00 0.00 66.70 64.67 1szr h VAL 68 Cb 1.05 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.82 1szr h VAL 68 CO 1.24 0.22 0.46 0.07 -1.01 0.00 0.00 177.57 178.55 1szr h LYS 69 N 0.00 0.00 -0.12 4.17 2.10 -1.90 -2.50 116.57 118.32 1szr h LYS 69 Ca -0.00 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.47 1szr h LYS 69 Cb 0.48 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.82 1szr h LYS 69 CO 0.03 0.00 -0.63 0.00 -2.00 0.00 0.00 179.45 176.85 1szr s ASN 71 N -6.87 -1.19 -0.29 0.00 3.04 -0.96 -1.38 114.94 107.29 1szr s ASN 71 Ca -0.12 0.22 0.10 0.00 0.04 0.00 0.00 52.86 53.10 1szr s ASN 71 Cb 0.07 1.79 0.73 0.00 -1.54 0.00 0.00 41.25 42.30 1szr s ASN 71 CO 0.86 -0.22 1.74 -0.90 -3.04 0.00 0.00 177.10 175.54 1szr n ASP 72 N 5.33 4.94 -4.77 -4.21 3.85 -1.09 -4.78 116.55 115.82 1szr n ASP 72 Ca 0.05 -3.07 -0.40 0.00 -0.71 0.00 0.00 54.79 50.66 1szr n ASP 72 Cb 0.55 -0.72 0.01 0.00 -1.35 0.00 0.00 41.12 39.61 1szr n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1szr s ASP 73 N -0.86 5.99 0.12 -1.12 -1.08 -1.26 -4.85 116.67 113.60 1szr s ASP 73 Ca 0.52 2.86 -0.21 0.00 -0.52 0.00 0.00 52.55 55.21 1szr s ASP 73 Cb 0.41 -2.65 -0.06 0.00 -1.46 0.00 0.00 42.92 39.16 1szr s ASP 73 CO 0.14 -1.09 1.72 -0.25 0.52 0.00 0.00 175.17 176.21 1szr h TRP 74 N 2.43 -0.01 -0.07 -5.34 7.01 -1.99 -1.31 115.95 116.66 1szr h TRP 74 Ca -0.51 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.42 1szr h TRP 74 Cb 1.26 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 28.34 1szr h TRP 74 CO 0.51 -0.02 -0.34 0.00 -2.79 0.00 0.00 178.44 175.80 1szr h ARG 75 N 0.05 0.13 -0.22 2.65 -0.00 -1.99 -1.91 114.38 113.09 1szr h ARG 75 Ca 0.07 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.98 59.43 1szr h ARG 75 Cb 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.05 1szr h ARG 75 CO -0.12 0.45 -0.16 0.28 0.00 0.00 0.00 179.97 180.42 1szr h VAL 76 N 0.11 1.32 -0.63 2.04 2.07 -1.80 -1.78 116.25 117.57 1szr h VAL 76 Ca 0.01 -1.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 1szr h VAL 76 Cb 0.65 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1szr h VAL 76 CO 0.05 0.40 0.11 -0.07 0.02 0.00 0.00 177.57 178.07 1szr h LEU 77 N 0.19 0.98 -0.42 2.57 3.38 -1.10 -2.33 115.31 118.58 1szr h LEU 77 Ca 0.04 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 1szr h LEU 77 Cb 0.69 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1szr h LEU 77 CO 0.04 0.97 -0.39 1.23 0.09 0.00 0.00 178.44 180.39 1szr h GLY 78 N 1.04 0.99 0.98 0.83 0.00 -1.32 -1.57 103.07 104.02 1szr h GLY 78 Ca 0.20 -1.01 0.01 0.00 0.00 0.00 0.00 47.33 46.53 1szr h GLY 78 CO 0.01 0.91 0.60 -0.84 0.00 0.00 0.00 176.54 177.22 1szr h THR 79 N 0.74 1.22 -0.06 4.70 2.02 -1.22 -2.51 112.91 117.80 1szr h THR 79 Ca 0.06 -0.42 -0.25 0.00 0.77 0.00 0.00 66.41 66.57 1szr h THR 79 Cb 0.97 -0.10 0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1szr h THR 79 CO 0.09 0.22 -0.93 -0.07 0.37 0.00 0.00 175.52 175.20 1szr h LEU 80 N 1.22 0.92 -1.31 2.58 3.38 -1.23 -2.63 115.31 118.24 1szr h LEU 80 Ca 0.34 -0.70 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1szr h LEU 80 Cb -0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.33 1szr h LEU 80 CO -0.08 1.49 0.23 0.00 0.09 0.00 0.00 178.44 180.17 1szr h ALA 81 N 0.46 1.47 0.00 1.53 0.00 -1.25 -2.29 119.26 119.17 1szr h ALA 81 Ca -0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1szr h ALA 81 Cb 1.58 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1szr h ALA 81 CO 0.19 0.42 -0.16 0.00 0.00 0.00 0.00 179.25 179.70 1szr h ALA 82 N 1.55 0.93 0.00 0.00 0.00 -1.39 -2.46 119.26 117.89 1szr h ALA 82 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1szr h ALA 82 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1szr h ALA 82 CO -0.02 0.19 -0.11 1.28 0.00 0.00 0.00 179.25 180.60 1szr n LEU 83 N -3.18 0.78 0.00 0.00 4.77 -0.92 -4.95 117.00 113.50 1szr n LEU 83 Ca 0.02 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1szr n LEU 83 Cb 0.52 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1szr n LEU 83 CO 0.34 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1szr n GLY 84 N 1.32 1.02 3.83 -0.72 0.00 -0.92 -5.10 105.19 104.62 1szr n GLY 84 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1szr n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1szr s THR 85 N -2.00 4.31 0.00 2.61 -4.23 -0.91 -4.96 115.64 110.46 1szr s THR 85 Ca 0.00 1.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 1szr s THR 85 Cb 0.00 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1szr s THR 85 CO 0.00 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 173.96 1szr n GLY 86 N -1.65 -0.41 3.11 3.99 0.00 -0.23 -4.61 105.19 105.39 1szr n GLY 86 Ca 0.07 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 1szr n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1szr s PHE 87 N -0.22 -0.51 -0.29 1.61 0.40 0.03 -1.49 117.98 117.50 1szr s PHE 87 Ca 0.00 1.10 -0.21 0.00 -0.60 0.00 0.00 56.93 57.22 1szr s PHE 87 Cb 0.00 0.10 -0.01 0.00 0.51 0.00 0.00 43.02 43.62 1szr s PHE 87 CO 0.00 -0.35 0.65 0.34 0.70 0.00 0.00 175.22 176.56 1szr s ASP 88 N 2.06 6.54 -0.02 1.36 -1.08 0.90 -1.06 116.67 125.37 1szr s ASP 88 Ca -0.03 0.52 0.06 0.00 -0.52 0.00 0.00 52.55 52.58 1szr s ASP 88 Cb -0.11 -2.34 -0.03 0.00 -1.46 0.00 0.00 42.92 38.98 1szr s ASP 88 CO -0.10 -0.47 -0.19 0.00 0.52 0.00 0.00 175.17 174.93 1szr n ALA 90 N 2.19 3.00 -3.26 0.00 0.00 -1.26 -1.74 120.51 119.44 1szr n ALA 90 Ca -0.17 -0.42 -0.09 0.00 0.00 0.00 0.00 53.44 52.76 1szr n ALA 90 Cb 0.52 -0.39 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 1szr n ALA 90 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1szr s SER 91 N -1.57 -0.12 0.27 0.00 1.04 -1.26 -4.74 113.70 107.32 1szr s SER 91 Ca 0.08 -0.85 -0.01 0.00 0.48 0.00 0.00 55.95 55.64 1szr s SER 91 Cb 0.09 0.60 0.46 0.00 0.10 0.00 0.00 66.02 67.26 1szr s SER 91 CO 0.31 -1.15 1.86 -0.55 0.98 0.00 0.00 173.24 174.68 1szr h ASN 92 N 2.23 0.96 -0.14 7.02 -1.07 -1.97 -2.51 115.58 120.10 1szr h ASN 92 Ca -0.25 0.03 -0.09 0.00 0.07 0.00 0.00 56.30 56.05 1szr h ASN 92 Cb 1.25 -0.17 -0.02 0.00 -2.07 0.00 0.00 38.32 37.31 1szr h ASN 92 CO 0.34 0.57 -0.19 0.74 0.07 0.00 0.00 177.43 178.96 1szr h THR 93 N 1.07 1.25 0.02 6.14 2.02 -1.99 -1.88 112.91 119.54 1szr h THR 93 Ca 0.45 -1.19 -0.22 0.00 0.77 0.00 0.00 66.41 66.23 1szr h THR 93 Cb 0.31 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1szr h THR 93 CO -0.21 0.39 -0.95 -0.33 0.37 0.00 0.00 175.52 174.78 1szr h GLU 94 N 0.49 0.25 -0.35 6.66 5.08 -1.93 -2.72 114.58 122.07 1szr h GLU 94 Ca 0.08 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1szr h GLU 94 Cb 0.61 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1szr h GLU 94 CO 0.04 1.03 -0.03 0.82 -1.00 0.00 0.00 179.01 179.87 1szr h ILE 95 N 0.13 1.27 -0.21 3.13 2.04 -1.26 -2.67 117.51 119.94 1szr h ILE 95 Ca -0.06 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 1szr h ILE 95 Cb 1.60 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1szr h ILE 95 CO 0.15 0.34 0.00 -0.61 0.00 0.00 0.00 178.15 178.04 1szr h GLN 96 N 0.44 0.31 -0.18 2.37 4.15 -1.38 -1.73 115.11 119.08 1szr h GLN 96 Ca 0.10 -0.05 -0.19 0.00 0.77 0.00 0.00 58.65 59.28 1szr h GLN 96 Cb 0.50 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1szr h GLN 96 CO 0.02 0.33 -0.65 -0.09 -1.93 0.00 0.00 178.83 176.51 1szr h ARG 97 N 0.30 0.68 0.16 1.69 2.43 -1.29 -1.46 114.38 116.89 1szr h ARG 97 Ca 0.07 -0.49 -0.31 0.00 -0.81 0.00 0.00 59.98 58.45 1szr h ARG 97 Cb 0.20 0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1szr h ARG 97 CO 0.00 1.11 -1.42 -0.39 -1.51 0.00 0.00 179.97 177.76 1szr h VAL 98 N 0.50 1.31 0.00 0.20 -1.51 -1.33 -3.20 116.25 112.21 1szr h VAL 98 Ca -0.02 -2.86 -0.04 0.00 -1.23 0.00 0.00 66.70 62.56 1szr h VAL 98 Cb 1.24 2.91 -0.01 0.00 -2.13 0.00 0.00 31.29 33.31 1szr h VAL 98 CO 0.13 0.85 -0.19 0.03 -1.23 0.00 0.00 177.57 177.16 1szr h ARG 99 N 0.09 0.00 0.00 5.19 2.47 -1.38 -2.77 114.38 117.98 1szr h ARG 99 Ca -0.21 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.46 1szr h ARG 99 Cb 2.05 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.36 1szr h ARG 99 CO 0.21 0.19 -0.23 0.78 0.56 0.00 0.00 179.97 181.48 1szr h GLY 100 N 0.67 0.00 -3.60 0.04 0.00 -1.26 -3.02 103.07 95.89 1szr h GLY 100 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1szr h GLY 100 CO 0.02 0.00 0.17 0.29 0.00 0.00 0.00 176.54 177.03 1szr n ILE 101 N -3.42 2.88 -1.99 2.60 -5.35 -1.06 -4.94 119.36 108.09 1szr n ILE 101 Ca -0.00 -1.58 0.00 0.00 -0.27 0.00 0.00 62.75 60.90 1szr n ILE 101 Cb 0.42 -0.33 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 1szr n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1szr n GLY 102 N 0.10 0.59 3.65 3.28 0.00 -1.14 -5.04 105.19 106.64 1szr n GLY 102 Ca 0.36 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 1szr n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1szr s VAL 103 N -2.23 5.20 0.74 1.61 1.01 -1.14 -5.06 120.40 120.54 1szr s VAL 103 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 1szr s VAL 103 Cb 0.00 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 33.01 1szr s VAL 103 CO 0.00 0.38 1.08 -2.16 0.00 0.00 0.00 175.10 174.40 1szr s PRO 104 N 0.84 2.54 0.59 2.72 0.04 -1.26 -4.36 135.00 136.11 1szr s PRO 104 Ca 0.07 1.04 0.37 0.00 0.04 0.00 0.00 61.00 62.52 1szr s PRO 104 Cb -0.13 -1.94 1.76 0.00 0.04 0.00 0.00 34.50 34.24 1szr s PRO 104 CO 0.03 -1.41 2.13 -1.00 0.04 0.00 0.00 177.00 176.79 1szr h PRO 105 N -0.95 0.00 -0.18 0.56 0.13 -1.87 -2.60 132.00 127.10 1szr h PRO 105 Ca -0.44 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 1szr h PRO 105 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1szr h PRO 105 CO 0.54 0.01 -0.51 0.93 -0.23 0.00 0.00 178.00 178.75 1szr h GLU 106 N 0.00 0.50 -0.61 0.86 3.07 -1.93 -2.99 114.58 113.49 1szr h GLU 106 Ca -0.00 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1szr h GLU 106 Cb 0.32 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1szr h GLU 106 CO 0.00 0.89 0.00 1.63 -1.40 0.00 0.00 179.01 180.13 1szr n LYS 107 N -3.97 1.39 -5.21 2.33 5.02 -0.98 -4.75 118.16 111.99 1szr n LYS 107 Ca -0.03 -0.38 -0.32 0.00 -2.02 0.00 0.00 58.31 55.57 1szr n LYS 107 Cb 0.57 -1.39 -0.17 0.00 -0.02 0.00 0.00 35.03 34.03 1szr n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1szr s ILE 108 N -1.49 2.03 -0.05 -0.18 1.01 -1.13 -0.79 121.20 120.60 1szr s ILE 108 Ca 0.07 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1szr s ILE 108 Cb 0.05 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1szr s ILE 108 CO 0.03 0.56 -0.14 -0.63 0.00 0.00 0.00 174.94 174.76 1szr s ILE 109 N 0.22 3.10 -1.01 2.92 1.01 -0.22 -4.63 121.20 122.58 1szr s ILE 109 Ca -0.15 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 1szr s ILE 109 Cb -0.17 -2.22 0.25 0.00 0.01 0.00 0.00 42.46 40.34 1szr s ILE 109 CO 0.07 0.59 0.97 -0.47 0.00 0.00 0.00 174.94 176.11 1szr s TYR 110 N -0.70 4.09 -0.57 3.97 5.04 -0.56 -0.63 117.35 127.99 1szr s TYR 110 Ca 0.11 -2.61 -0.03 0.00 -2.44 0.00 0.00 57.07 52.09 1szr s TYR 110 Cb -0.11 -3.72 0.15 0.00 0.35 0.00 0.00 41.96 38.62 1szr s TYR 110 CO 0.01 -0.92 2.55 0.00 -1.34 0.00 0.00 175.55 175.85 1szr n ALA 111 N 2.92 6.48 -3.43 3.97 0.00 -0.71 -2.77 120.51 126.96 1szr n ALA 111 Ca 0.21 -3.37 -0.36 0.00 0.00 0.00 0.00 53.44 49.92 1szr n ALA 111 Cb 0.40 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.62 1szr n ALA 111 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1szr s ASN 112 N -0.07 4.72 0.24 0.00 3.04 -1.26 -4.87 114.94 116.74 1szr s ASN 112 Ca 0.57 -0.75 0.25 0.00 0.04 0.00 0.00 52.86 52.97 1szr s ASN 112 Cb 0.40 -1.78 0.88 0.00 -1.54 0.00 0.00 41.25 39.21 1szr s ASN 112 CO -0.28 -0.15 1.75 -0.81 -3.04 0.00 0.00 177.10 174.57 1szr n PRO 113 N 4.78 0.24 -3.79 0.43 -0.04 -1.26 -4.41 135.00 130.96 1szr n PRO 113 Ca -0.16 0.30 -0.30 0.00 -0.04 0.00 0.00 63.50 63.31 1szr n PRO 113 Cb 0.48 -1.84 -0.14 0.00 -0.04 0.00 0.00 33.50 31.96 1szr n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1szr s LYS 115 N 0.38 3.32 0.31 0.00 1.02 -1.26 -5.09 119.74 118.42 1szr s LYS 115 Ca 0.16 -0.55 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 1szr s LYS 115 Cb -0.24 -2.77 -0.12 0.00 -0.52 0.00 0.00 37.83 34.18 1szr s LYS 115 CO -0.03 0.39 1.39 0.94 -0.92 0.00 0.00 175.35 177.12 1szr n GLN 116 N 3.06 2.24 -0.19 1.68 7.27 -1.26 -4.86 117.38 125.32 1szr n GLN 116 Ca -0.18 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.69 1szr n GLN 116 Cb 0.53 -2.44 0.09 0.00 2.41 0.00 0.00 30.24 30.83 1szr n GLN 116 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1szr h ILE 117 N 2.86 0.54 -0.48 1.69 2.04 -1.99 -1.03 117.51 121.14 1szr h ILE 117 Ca -0.46 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1szr h ILE 117 Cb 1.27 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1szr h ILE 117 CO 0.69 0.02 0.30 -1.28 0.00 0.00 0.00 178.15 177.89 1szr h SER 118 N 0.13 0.56 -0.07 1.72 0.87 -2.00 -1.73 113.55 113.03 1szr h SER 118 Ca 0.30 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.69 1szr h SER 118 Cb 0.48 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1szr h SER 118 CO -0.49 0.42 -0.46 0.45 -0.53 0.00 0.00 176.83 176.22 1szr h HIS 119 N 0.66 0.76 -0.48 2.24 3.86 -1.58 -2.57 115.15 118.05 1szr h HIS 119 Ca 0.18 -0.24 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1szr h HIS 119 Cb -0.05 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 1szr h HIS 119 CO 0.00 0.97 0.22 0.82 0.86 0.00 0.00 177.93 180.80 1szr h ILE 120 N 0.50 1.20 -0.86 2.45 2.04 -0.81 -2.06 117.51 119.97 1szr h ILE 120 Ca 0.03 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.42 1szr h ILE 120 Cb 1.00 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1szr h ILE 120 CO 0.09 0.22 0.55 -0.09 0.00 0.00 0.00 178.15 178.93 1szr h ARG 121 N 0.63 0.77 -0.19 2.37 2.43 -1.29 -1.72 114.38 117.38 1szr h ARG 121 Ca 0.16 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.11 1szr h ARG 121 Cb 0.14 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1szr h ARG 121 CO -0.02 0.51 -0.61 -0.92 -1.51 0.00 0.00 179.97 177.43 1szr h TYR 122 N 0.80 0.84 -0.43 2.20 3.20 -1.05 -2.75 116.97 119.78 1szr h TYR 122 Ca 0.40 -0.32 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 1szr h TYR 122 Cb 0.47 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1szr h TYR 122 CO -0.00 1.10 -0.03 0.00 -1.64 0.00 0.00 178.16 177.59 1szr h ALA 123 N 0.83 0.58 -0.00 1.82 0.00 -0.94 -2.70 119.26 118.84 1szr h ALA 123 Ca -0.00 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1szr h ALA 123 Cb 1.19 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1szr h ALA 123 CO 0.12 0.40 -0.22 -0.09 0.00 0.00 0.00 179.25 179.45 1szr h ARG 124 N 0.61 -0.34 0.00 0.00 2.43 -1.32 -1.71 114.38 114.04 1szr h ARG 124 Ca 0.12 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1szr h ARG 124 Cb 0.53 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1szr h ARG 124 CO 0.03 -0.23 0.00 -0.25 -1.51 0.00 0.00 179.97 178.01 1szr n ASP 125 N -5.35 0.21 -1.07 -3.80 8.00 -1.04 -2.31 116.55 111.19 1szr n ASP 125 Ca -0.05 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.12 1szr n ASP 125 Cb 0.26 -0.60 0.16 0.00 -0.02 0.00 0.00 41.12 40.93 1szr n ASP 125 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1szr n SER 126 N -1.73 3.26 0.00 -2.24 2.88 -0.88 -4.97 113.62 109.94 1szr n SER 126 Ca 0.03 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.57 1szr n SER 126 Cb 0.18 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1szr n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1szr n GLY 127 N 1.44 1.18 3.58 0.46 0.00 -0.98 -4.77 105.19 106.09 1szr n GLY 127 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1szr n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1szr s VAL 128 N -2.69 4.44 -0.15 1.61 1.01 -0.70 -4.72 120.40 119.20 1szr s VAL 128 Ca 0.00 0.89 0.12 0.00 0.00 0.00 0.00 61.98 62.99 1szr s VAL 128 Cb 0.00 -4.45 -0.18 0.00 0.00 0.00 0.00 36.38 31.75 1szr s VAL 128 CO 0.00 -0.83 0.03 0.47 0.00 0.00 0.00 175.10 174.77 1szr n ASP 129 N 7.24 1.47 -4.64 3.32 8.00 -1.26 -4.11 116.55 126.57 1szr n ASP 129 Ca 0.07 -0.01 -0.43 0.00 0.71 0.00 0.00 54.79 55.14 1szr n ASP 129 Cb 0.49 0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 42.33 1szr n ASP 129 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1szr s VAL 130 N -2.36 4.32 0.19 2.53 1.01 -1.26 -1.40 120.40 123.44 1szr s VAL 130 Ca -0.09 1.54 0.02 0.00 0.00 0.00 0.00 61.98 63.45 1szr s VAL 130 Cb 0.05 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1szr s VAL 130 CO 0.59 -0.38 0.01 -0.04 0.00 0.00 0.00 175.10 175.28 1szr s MET 131 N 3.79 1.18 0.33 2.72 -1.94 -0.90 -1.50 119.30 122.98 1szr s MET 131 Ca 0.52 -1.58 0.08 0.00 -1.71 0.00 0.00 55.69 52.99 1szr s MET 131 Cb -0.16 -0.33 -0.03 0.00 2.01 0.00 0.00 34.83 36.31 1szr s MET 131 CO 0.17 -0.14 0.22 0.95 -0.01 0.00 0.00 175.02 176.21 1szr s THR 132 N -3.62 3.34 0.01 2.05 -4.23 -1.11 -0.72 115.64 111.35 1szr s THR 132 Ca 0.26 -1.52 -0.28 0.00 -1.18 0.00 0.00 61.69 58.97 1szr s THR 132 Cb 0.06 -3.09 0.08 0.00 1.34 0.00 0.00 72.50 70.89 1szr s THR 132 CO 0.06 -0.19 0.73 0.72 -0.54 0.00 0.00 174.62 175.40 1szr s PHE 133 N -2.35 -0.53 0.00 3.99 -0.12 -0.70 -4.24 117.98 114.03 1szr s PHE 133 Ca 0.39 0.64 0.00 0.00 -0.05 0.00 0.00 56.93 57.91 1szr s PHE 133 Cb -0.04 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1szr s PHE 133 CO 0.25 -0.64 0.48 -0.40 -0.05 0.00 0.00 175.22 174.85 1szr n ASP 134 N 0.26 0.61 -3.92 1.98 3.85 -1.26 -0.71 116.55 117.36 1szr n ASP 134 Ca -0.15 -1.22 -0.08 0.00 -0.71 0.00 0.00 54.79 52.62 1szr n ASP 134 Cb 0.61 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.34 1szr n ASP 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1szr h VAL 136 N 2.16 1.31 -0.81 0.00 2.07 -1.98 -3.18 116.25 115.82 1szr h VAL 136 Ca -0.24 -1.87 0.10 0.00 0.82 0.00 0.00 66.70 65.51 1szr h VAL 136 Cb 1.25 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 32.79 1szr h VAL 136 CO 0.31 0.59 0.53 0.44 0.02 0.00 0.00 177.57 179.46 1szr h ASP 137 N 0.51 0.69 -0.17 0.57 3.32 -2.00 -0.54 116.42 118.78 1szr h ASP 137 Ca -0.01 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1szr h ASP 137 Cb 1.21 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1szr h ASP 137 CO 0.13 0.41 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.93 1szr h GLU 138 N 0.76 0.48 -0.16 3.56 4.57 -1.90 -2.74 114.58 119.14 1szr h GLU 138 Ca 0.37 -0.11 -0.16 0.00 -1.18 0.00 0.00 59.36 58.28 1szr h GLU 138 Cb 0.44 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1szr h GLU 138 CO -0.15 0.54 -0.58 -0.07 -1.18 0.00 0.00 179.01 177.57 1szr h LEU 139 N 0.45 0.59 -1.22 1.64 3.38 -1.18 -2.30 115.31 116.67 1szr h LEU 139 Ca 0.09 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1szr h LEU 139 Cb 0.37 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1szr h LEU 139 CO 0.02 1.04 0.54 -0.33 0.09 0.00 0.00 178.44 179.80 1szr h GLU 140 N 0.40 0.97 -0.09 1.13 5.08 -1.13 0.47 114.58 121.40 1szr h GLU 140 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1szr h GLU 140 Cb 1.13 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1szr h GLU 140 CO 0.11 0.64 0.02 0.87 -1.00 0.00 0.00 179.01 179.65 1szr h LYS 141 N 1.00 0.16 -0.08 2.33 1.57 -1.38 -3.13 116.57 117.03 1szr h LYS 141 Ca 0.33 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.00 1szr h LYS 141 Cb 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1szr h LYS 141 CO -0.10 0.36 -0.24 0.28 -0.57 0.00 0.00 179.45 179.18 1szr h VAL 142 N -0.07 1.21 -0.36 0.50 2.07 -0.85 -2.34 116.25 116.41 1szr h VAL 142 Ca 0.03 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.45 1szr h VAL 142 Cb 0.28 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1szr h VAL 142 CO 0.00 0.30 -0.14 0.00 0.02 0.00 0.00 177.57 177.75 1szr h ALA 143 N 1.62 0.50 0.00 1.67 0.00 -0.94 0.22 119.26 122.34 1szr h ALA 143 Ca 0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1szr h ALA 143 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1szr h ALA 143 CO 0.04 0.40 -0.40 0.87 0.00 0.00 0.00 179.25 180.16 1szr h LYS 144 N 0.52 0.00 0.00 0.00 1.57 -1.46 -3.35 116.57 113.84 1szr h LYS 144 Ca 0.09 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1szr h LYS 144 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1szr h LYS 144 CO 0.05 0.40 -1.17 2.41 -0.57 0.00 0.00 179.45 180.56 1szr n THR 145 N -3.51 0.17 -3.19 -0.16 -1.04 -0.90 -4.87 114.28 100.78 1szr n THR 145 Ca -0.00 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.05 61.73 1szr n THR 145 Cb 0.54 -0.77 -0.06 0.00 -1.82 0.00 0.00 70.33 68.21 1szr n THR 145 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1szr n HIS 146 N -2.69 0.17 0.30 -1.42 -0.00 0.69 -4.85 115.22 107.44 1szr n HIS 146 Ca -0.05 -3.69 0.18 0.00 0.46 0.00 0.00 57.72 54.62 1szr n HIS 146 Cb 0.55 -0.39 0.89 0.00 -0.12 0.00 0.00 29.99 30.92 1szr n HIS 146 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1szr h PRO 147 N 3.64 0.00 -0.57 1.57 0.13 -1.45 -2.42 132.00 132.91 1szr h PRO 147 Ca 0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 1szr h PRO 147 Cb 0.89 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.94 1szr h PRO 147 CO 0.51 0.00 0.13 1.63 -0.23 0.00 0.00 178.00 180.04 1szr n LYS 148 N -2.90 3.52 -2.45 0.86 5.02 -1.26 -4.62 118.16 116.33 1szr n LYS 148 Ca -0.01 -3.06 -0.39 0.00 -2.02 0.00 0.00 58.31 52.83 1szr n LYS 148 Cb 0.16 -2.10 -0.04 0.00 -0.02 0.00 0.00 35.03 33.04 1szr n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1szr s ALA 149 N -2.96 3.29 -0.50 7.82 0.00 -0.91 -5.00 121.76 123.50 1szr s ALA 149 Ca 0.51 0.88 -0.24 0.00 0.00 0.00 0.00 51.96 53.11 1szr s ALA 149 Cb 0.41 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 20.24 1szr s ALA 149 CO 0.11 -0.25 0.90 0.15 0.00 0.00 0.00 175.76 176.67 1szr s LYS 150 N -1.85 3.41 -0.09 0.00 1.02 -0.50 -4.08 119.74 117.65 1szr s LYS 150 Ca 0.50 -0.10 -0.09 0.00 0.02 0.00 0.00 55.97 56.30 1szr s LYS 150 Cb -0.30 -3.99 -0.04 0.00 -0.52 0.00 0.00 37.83 32.98 1szr s LYS 150 CO 0.38 -1.32 0.20 -1.64 -0.92 0.00 0.00 175.35 172.05 1szr s MET 151 N 3.73 3.55 -0.21 1.68 -1.94 -0.67 -2.11 119.30 123.33 1szr s MET 151 Ca 0.32 -0.01 0.01 0.00 -1.71 0.00 0.00 55.69 54.31 1szr s MET 151 Cb -0.12 -3.19 0.03 0.00 2.01 0.00 0.00 34.83 33.56 1szr s MET 151 CO 0.22 0.76 -0.16 0.08 -0.01 0.00 0.00 175.02 175.91 1szr s VAL 152 N -1.05 2.17 -0.53 -6.03 1.01 0.10 -0.98 120.40 115.09 1szr s VAL 152 Ca 0.17 -1.17 -0.28 0.00 0.00 0.00 0.00 61.98 60.70 1szr s VAL 152 Cb -0.13 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1szr s VAL 152 CO 0.06 0.33 1.53 -0.22 0.00 0.00 0.00 175.10 176.80 1szr s LEU 153 N 1.23 3.41 0.05 3.92 2.96 -0.72 -1.72 118.68 127.81 1szr s LEU 153 Ca 0.00 0.45 -0.31 0.00 -0.22 0.00 0.00 54.13 54.06 1szr s LEU 153 Cb -0.16 -3.07 -0.06 0.00 0.50 0.00 0.00 46.19 43.41 1szr s LEU 153 CO -0.10 -1.79 1.28 -0.60 -1.32 0.00 0.00 176.35 173.83 1szr s ARG 154 N 5.71 4.37 0.21 1.98 3.52 0.12 -1.63 118.95 133.22 1szr s ARG 154 Ca 0.58 1.86 0.08 0.00 -0.13 0.00 0.00 55.73 58.13 1szr s ARG 154 Cb -0.13 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1szr s ARG 154 CO 0.26 -0.39 0.01 0.96 -0.81 0.00 0.00 175.30 175.34 1szr s ILE 155 N 1.49 3.69 0.34 4.11 -4.36 0.44 -2.00 121.20 124.91 1szr s ILE 155 Ca 0.61 -1.59 -0.27 0.00 -0.26 0.00 0.00 60.65 59.14 1szr s ILE 155 Cb -0.31 -2.91 -0.09 0.00 1.25 0.00 0.00 42.46 40.40 1szr s ILE 155 CO 0.28 -0.22 1.14 -0.55 0.24 0.00 0.00 174.94 175.83 1szr s SER 156 N -3.26 6.90 -0.18 4.36 0.15 0.41 -4.49 113.70 117.59 1szr s SER 156 Ca 0.29 2.30 0.11 0.00 0.70 0.00 0.00 55.95 59.36 1szr s SER 156 Cb -0.08 -2.62 -0.19 0.00 -1.71 0.00 0.00 66.02 61.42 1szr s SER 156 CO 0.19 -0.41 -0.01 0.41 1.20 0.00 0.00 173.24 174.63 1szr n THR 157 N 0.60 1.18 0.16 6.45 -1.04 -1.26 -4.90 114.28 115.46 1szr n THR 157 Ca 0.02 -0.65 0.04 0.00 -2.04 0.00 0.00 64.05 61.42 1szr n THR 157 Cb 0.46 -0.74 -0.06 0.00 -1.82 0.00 0.00 70.33 68.17 1szr n THR 157 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1szr n VAL 168 N -2.76 0.00 0.15 12.58 3.14 -1.26 -5.04 118.33 125.14 1szr n VAL 168 Ca -0.30 -0.24 -0.07 0.00 -2.96 0.00 0.00 64.34 60.77 1szr n VAL 168 Cb 1.01 0.60 -0.03 0.00 -1.06 0.00 0.00 33.84 34.36 1szr n VAL 168 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1szr h LYS 169 N 0.00 -0.42 -5.75 1.45 1.63 -2.06 -3.47 116.57 107.95 1szr h LYS 169 Ca 0.00 0.03 -0.56 0.00 -0.85 0.00 0.00 60.65 59.27 1szr h LYS 169 Cb 0.30 0.10 -0.14 0.00 -0.60 0.00 0.00 32.23 31.89 1szr h LYS 169 CO 0.00 -0.28 -0.68 -0.06 -3.45 0.00 0.00 179.45 174.98 1szr s PHE 170 N -2.99 2.18 0.00 1.91 2.99 -1.26 -5.08 117.98 115.72 1szr s PHE 170 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 56.93 56.29 1szr s PHE 170 Cb 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 43.02 41.80 1szr s PHE 170 CO 0.19 0.45 0.00 0.41 -0.00 0.00 0.00 175.22 176.27 1szr n GLY 171 N -0.68 1.83 3.71 4.36 0.00 -1.26 -4.74 105.19 108.42 1szr n GLY 171 Ca -0.05 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1szr n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1szr s ALA 172 N 0.00 3.46 0.52 4.61 0.00 -0.85 -4.06 121.76 125.45 1szr s ALA 172 Ca 0.00 0.94 -0.22 0.00 0.00 0.00 0.00 51.96 52.68 1szr s ALA 172 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 1szr s ALA 172 CO 0.00 -0.51 1.31 0.15 0.00 0.00 0.00 175.76 176.71 1szr s LYS 173 N 1.11 3.30 0.50 0.00 1.02 -1.26 -0.44 119.74 123.97 1szr s LYS 173 Ca 0.61 2.13 0.18 0.00 0.02 0.00 0.00 55.97 58.90 1szr s LYS 173 Cb -0.32 -2.30 1.24 0.00 -0.52 0.00 0.00 37.83 35.93 1szr s LYS 173 CO 0.29 -1.02 2.09 -0.39 -0.92 0.00 0.00 175.35 175.40 1szr h VAL 174 N 1.57 0.97 0.00 3.17 -1.51 -1.95 -2.16 116.25 116.34 1szr h VAL 174 Ca -0.50 -0.28 -0.08 0.00 -1.23 0.00 0.00 66.70 64.60 1szr h VAL 174 Cb 1.29 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 31.59 1szr h VAL 174 CO 0.58 0.08 -0.38 1.05 -1.23 0.00 0.00 177.57 177.66 1szr h GLU 175 N 0.00 0.00 0.00 5.19 9.09 -2.03 -2.93 114.58 123.89 1szr h GLU 175 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1szr h GLU 175 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 1szr h GLU 175 CO 0.01 0.38 -0.37 -0.25 0.05 0.00 0.00 179.01 178.83 1szr n ASP 176 N -3.60 0.57 0.22 3.06 8.00 -0.83 -4.38 116.55 119.59 1szr n ASP 176 Ca -0.01 0.19 0.07 0.00 0.71 0.00 0.00 54.79 55.76 1szr n ASP 176 Cb 0.50 -0.12 0.51 0.00 -0.02 0.00 0.00 41.12 41.98 1szr n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1szr h ARG 178 N 0.00 -0.25 -0.72 0.00 2.43 -1.77 -2.11 114.38 111.96 1szr h ARG 178 Ca -0.00 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1szr h ARG 178 Cb 0.52 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 1szr h ARG 178 CO 0.03 0.10 0.47 0.35 -1.51 0.00 0.00 179.97 179.41 1szr h PHE 179 N -0.64 0.72 -0.25 2.20 3.57 -1.78 -1.55 116.94 119.20 1szr h PHE 179 Ca -0.03 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1szr h PHE 179 Cb 0.46 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1szr h PHE 179 CO 0.04 0.36 -0.32 0.82 -2.23 0.00 0.00 178.31 176.99 1szr h ILE 180 N 0.69 1.31 0.00 1.41 2.04 -1.25 -2.39 117.51 119.33 1szr h ILE 180 Ca 0.32 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1szr h ILE 180 Cb 0.34 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1szr h ILE 180 CO -0.11 0.47 0.00 -0.07 0.00 0.00 0.00 178.15 178.45 1szr h LEU 181 N 0.38 0.00 -0.03 1.44 3.38 -1.02 -0.94 115.31 118.52 1szr h LEU 181 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1szr h LEU 181 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1szr h LEU 181 CO 0.08 0.00 -0.27 -0.33 0.09 0.00 0.00 178.44 178.00 1szr h GLU 182 N 0.00 0.23 -0.16 1.13 5.08 -1.19 -2.31 114.58 117.36 1szr h GLU 182 Ca 0.00 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1szr h GLU 182 Cb 0.71 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1szr h GLU 182 CO 0.00 0.90 -0.06 1.96 -1.00 0.00 0.00 179.01 180.81 1szr h GLN 183 N -0.36 0.24 -0.10 2.33 1.08 -1.28 -1.97 115.11 115.05 1szr h GLN 183 Ca -0.03 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.02 1szr h GLN 183 Cb 0.98 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1szr h GLN 183 CO 0.06 0.32 -0.44 0.00 -0.95 0.00 0.00 178.83 177.82 1szr h ALA 184 N 1.71 1.08 -0.30 3.87 0.00 -1.16 -1.69 119.26 122.77 1szr h ALA 184 Ca 0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1szr h ALA 184 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1szr h ALA 184 CO 0.01 0.61 0.08 -0.22 0.00 0.00 0.00 179.25 179.73 1szr h LYS 185 N 0.19 0.47 -0.08 0.00 1.63 -0.78 -1.60 116.57 116.41 1szr h LYS 185 Ca 0.01 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.66 1szr h LYS 185 Cb 0.85 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 1szr h LYS 185 CO 0.07 0.54 -0.17 0.87 -3.45 0.00 0.00 179.45 177.31 1szr h LYS 186 N 0.32 0.12 -0.03 1.90 1.57 -1.19 -1.79 116.57 117.47 1szr h LYS 186 Ca 0.10 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1szr h LYS 186 Cb 0.27 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1szr h LYS 186 CO -0.00 0.30 0.00 1.28 -0.57 0.00 0.00 179.45 180.46 1szr n LEU 187 N -4.28 1.22 -3.30 2.94 4.77 -0.66 -4.94 117.00 112.76 1szr n LEU 187 Ca -0.01 -0.43 -0.24 0.00 -0.03 0.00 0.00 56.01 55.30 1szr n LEU 187 Cb 0.27 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1szr n LEU 187 CO 0.37 0.21 0.07 -3.20 -1.33 0.00 0.00 177.39 173.52 1szr n ASN 188 N -0.03 -5.82 -4.73 -1.43 5.15 -0.67 -4.90 115.26 102.83 1szr n ASN 188 Ca 0.19 -0.41 -0.41 0.00 -0.60 0.00 0.00 54.58 53.35 1szr n ASN 188 Cb 0.30 -4.67 -0.05 0.00 -0.53 0.00 0.00 39.78 34.84 1szr n ASN 188 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1szr s ILE 189 N -3.20 4.31 -1.34 -1.44 -1.09 -0.65 -4.98 121.20 112.82 1szr s ILE 189 Ca 0.43 1.98 -0.15 0.00 -2.23 0.00 0.00 60.65 60.67 1szr s ILE 189 Cb -0.20 -4.26 0.08 0.00 -1.58 0.00 0.00 42.46 36.50 1szr s ILE 189 CO 0.53 0.33 1.88 -0.67 -1.23 0.00 0.00 174.94 175.78 1szr n ASP 190 N 2.53 4.64 -4.67 3.58 -0.08 -1.26 -4.79 116.55 116.50 1szr n ASP 190 Ca 0.02 -2.92 -0.42 0.00 -1.51 0.00 0.00 54.79 49.96 1szr n ASP 190 Cb 0.48 -1.67 -0.03 0.00 2.34 0.00 0.00 41.12 42.24 1szr n ASP 190 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1szr s VAL 191 N 3.22 3.88 0.00 5.18 1.01 -1.26 -1.68 120.40 130.75 1szr s VAL 191 Ca 0.49 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1szr s VAL 191 Cb 0.07 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1szr s VAL 191 CO 0.01 -0.07 0.78 0.35 0.00 0.00 0.00 175.10 176.17 1szr n THR 192 N 5.17 0.61 -0.58 3.92 -2.24 -0.15 -3.57 114.28 117.44 1szr n THR 192 Ca 0.15 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1szr n THR 192 Cb 0.44 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 1szr n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1szr n GLY 193 N -0.31 -1.20 2.98 3.38 0.00 -1.23 -0.87 105.19 107.94 1szr n GLY 193 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 1szr n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1szr s VAL 194 N -2.19 0.54 0.18 1.61 1.01 -0.53 -1.75 120.40 119.26 1szr s VAL 194 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.78 1szr s VAL 194 Cb 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1szr s VAL 194 CO 0.00 0.16 -0.14 -0.94 0.00 0.00 0.00 175.10 174.17 1szr s SER 195 N -0.07 2.39 0.23 3.32 1.04 -0.65 -0.89 113.70 119.07 1szr s SER 195 Ca 0.01 -0.96 -0.08 0.00 0.48 0.00 0.00 55.95 55.41 1szr s SER 195 Cb -0.04 -0.11 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 1szr s SER 195 CO -0.00 -0.17 0.34 0.72 0.98 0.00 0.00 173.24 175.11 1szr s PHE 196 N -2.72 0.68 -0.14 5.02 -0.12 -0.54 -0.42 117.98 119.73 1szr s PHE 196 Ca 0.18 -0.99 -0.04 0.00 -0.05 0.00 0.00 56.93 56.04 1szr s PHE 196 Cb -0.02 -0.11 0.07 0.00 -0.63 0.00 0.00 43.02 42.33 1szr s PHE 196 CO 0.05 -0.85 0.18 -1.58 -0.05 0.00 0.00 175.22 172.97 1szr s HIS 197 N -4.07 -0.19 -0.08 3.49 2.46 -1.26 -2.50 115.29 113.12 1szr s HIS 197 Ca 0.29 0.38 -0.25 0.00 0.47 0.00 0.00 55.06 55.95 1szr s HIS 197 Cb 0.02 -0.33 -0.27 0.00 -0.13 0.00 0.00 32.58 31.87 1szr s HIS 197 CO 0.10 -0.44 0.89 0.28 -2.47 0.00 0.00 174.74 173.11 1szr h VAL 198 N 6.34 1.63 0.00 0.89 2.07 -1.84 -3.42 116.25 121.92 1szr h VAL 198 Ca -0.15 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1szr h VAL 198 Cb 1.13 3.13 0.00 0.00 -1.52 0.00 0.00 31.29 34.03 1szr h VAL 198 CO 0.21 0.62 0.00 0.61 0.02 0.00 0.00 177.57 179.03 1szr n GLY 199 N 1.44 1.35 0.05 2.17 0.00 -1.24 -4.75 105.19 104.20 1szr n GLY 199 Ca -0.11 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.11 1szr n GLY 199 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1szr n SER 200 N -0.19 0.33 -1.90 1.61 3.41 -1.26 -3.97 113.62 111.65 1szr n SER 200 Ca 0.00 0.54 -0.17 0.00 -0.26 0.00 0.00 58.87 58.97 1szr n SER 200 Cb 0.00 -0.62 0.04 0.00 -0.26 0.00 0.00 64.21 63.37 1szr n SER 200 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1szr n GLY 201 N 1.20 4.15 3.64 5.00 0.00 -1.26 -4.90 105.19 113.03 1szr n GLY 201 Ca 0.06 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 1szr n GLY 201 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1szr s SER 202 N 0.05 6.13 0.01 1.61 0.15 -1.25 -4.94 113.70 115.46 1szr s SER 202 Ca 0.33 0.13 0.22 0.00 0.70 0.00 0.00 55.95 57.33 1szr s SER 202 Cb 0.26 -2.13 -0.16 0.00 -1.71 0.00 0.00 66.02 62.28 1szr s SER 202 CO -0.00 -0.00 0.81 0.35 1.20 0.00 0.00 173.24 175.60 1szr n THR 203 N 4.57 0.08 -4.08 6.45 -2.24 -1.26 -4.78 114.28 113.03 1szr n THR 203 Ca -0.14 -0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.14 1szr n THR 203 Cb 0.52 0.35 -0.17 0.00 -2.10 0.00 0.00 70.33 68.93 1szr n THR 203 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1szr s ASP 204 N -3.90 1.71 0.00 3.42 3.68 -1.26 -4.86 116.67 115.46 1szr s ASP 204 Ca 0.01 -0.22 0.07 0.00 2.13 0.00 0.00 52.55 54.54 1szr s ASP 204 Cb 0.15 -0.67 0.32 0.00 -1.45 0.00 0.00 42.92 41.26 1szr s ASP 204 CO 0.86 -0.09 1.15 0.00 0.13 0.00 0.00 175.17 177.21 1szr n ALA 205 N 4.55 1.41 0.30 3.66 0.00 -1.26 -3.18 120.51 125.99 1szr n ALA 205 Ca -0.16 -0.03 0.19 0.00 0.00 0.00 0.00 53.44 53.44 1szr n ALA 205 Cb 0.51 -1.11 0.86 0.00 0.00 0.00 0.00 19.45 19.70 1szr n ALA 205 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1szr h SER 206 N 0.00 0.00 -0.93 0.00 4.64 -1.99 -2.38 113.55 112.89 1szr h SER 206 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1szr h SER 206 Cb 0.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 1szr h SER 206 CO 0.00 0.02 0.61 0.74 -0.87 0.00 0.00 176.83 177.33 1szr h THR 207 N 0.00 1.21 -0.87 2.95 2.02 -1.99 -2.22 112.91 114.01 1szr h THR 207 Ca -0.00 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1szr h THR 207 Cb 0.34 -0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 1szr h THR 207 CO 0.00 0.23 0.44 -0.26 0.37 0.00 0.00 175.52 176.30 1szr h PHE 208 N 1.24 1.23 -0.11 3.16 0.04 -1.70 -1.04 116.94 119.76 1szr h PHE 208 Ca 0.35 -0.05 -0.14 0.00 2.80 0.00 0.00 57.97 60.93 1szr h PHE 208 Cb -0.10 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.65 1szr h PHE 208 CO -0.01 0.88 -0.56 0.00 -0.60 0.00 0.00 178.31 178.02 1szr h ALA 209 N 1.24 0.84 -0.12 2.45 0.00 -1.56 -1.72 119.26 120.39 1szr h ALA 209 Ca 0.30 -0.52 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 1szr h ALA 209 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1szr h ALA 209 CO -0.04 0.70 -0.73 0.37 0.00 0.00 0.00 179.25 179.54 1szr h GLN 210 N 0.26 0.59 -0.65 0.00 5.75 -1.28 -2.68 115.11 117.11 1szr h GLN 210 Ca 0.00 -0.47 -0.07 0.00 -0.15 0.00 0.00 58.65 57.97 1szr h GLN 210 Cb 1.06 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.68 1szr h GLN 210 CO 0.09 1.09 0.15 0.00 -2.65 0.00 0.00 178.83 177.51 1szr h ALA 211 N 0.78 0.86 -0.14 3.38 0.00 -1.04 -1.12 119.26 121.96 1szr h ALA 211 Ca -0.04 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1szr h ALA 211 Cb 1.33 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1szr h ALA 211 CO 0.14 0.58 -0.44 0.82 0.00 0.00 0.00 179.25 180.35 1szr h ILE 212 N 0.97 1.32 -0.16 0.00 2.04 -1.34 0.14 117.51 120.48 1szr h ILE 212 Ca 0.20 -1.62 -0.05 0.00 1.00 0.00 0.00 64.86 64.39 1szr h ILE 212 Cb 0.38 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1szr h ILE 212 CO 0.00 0.49 -0.12 -1.28 0.00 0.00 0.00 178.15 177.25 1szr h SER 213 N 0.28 0.37 -0.75 1.72 0.87 -1.35 -1.74 113.55 112.95 1szr h SER 213 Ca 0.02 -0.45 0.04 0.00 -1.23 0.00 0.00 61.79 60.17 1szr h SER 213 Cb 0.90 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.71 1szr h SER 213 CO 0.07 0.74 0.49 0.44 -0.53 0.00 0.00 176.83 178.05 1szr h ASP 214 N 0.00 0.76 -0.33 6.23 3.32 -1.03 -1.76 116.42 123.62 1szr h ASP 214 Ca 0.03 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 1szr h ASP 214 Cb 0.62 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1szr h ASP 214 CO 0.03 0.51 -0.18 0.28 -1.72 0.00 0.00 179.24 178.17 1szr h SER 215 N 0.88 0.80 -0.70 6.45 0.02 -0.55 -2.10 113.55 118.34 1szr h SER 215 Ca 0.31 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 1szr h SER 215 Cb 0.11 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1szr h SER 215 CO -0.09 0.97 0.19 -0.09 -1.14 0.00 0.00 176.83 176.67 1szr h ARG 216 N 0.70 1.11 -0.84 3.45 9.65 -0.80 0.29 114.38 127.93 1szr h ARG 216 Ca 0.10 -0.25 -0.00 0.00 -1.10 0.00 0.00 59.98 58.73 1szr h ARG 216 Cb 0.69 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.07 1szr h ARG 216 CO 0.05 0.97 0.52 0.35 2.80 0.00 0.00 179.97 184.66 1szr h PHE 217 N 1.04 1.09 0.02 2.20 3.57 -0.86 -1.22 116.94 122.79 1szr h PHE 217 Ca 0.22 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.49 1szr h PHE 217 Cb 0.34 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1szr h PHE 217 CO 0.03 0.71 -0.99 0.28 -2.23 0.00 0.00 178.31 176.11 1szr h VAL 218 N 1.15 1.41 -0.76 1.41 2.07 -1.22 -2.68 116.25 117.62 1szr h VAL 218 Ca 0.30 -2.53 0.08 0.00 0.82 0.00 0.00 66.70 65.38 1szr h VAL 218 Cb -0.07 2.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 1szr h VAL 218 CO -0.06 0.75 0.42 0.15 0.02 0.00 0.00 177.57 178.85 1szr h PHE 219 N 0.21 0.76 -0.18 1.57 3.57 -0.61 -1.32 116.94 120.94 1szr h PHE 219 Ca -0.09 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.29 1szr h PHE 219 Cb 1.64 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 1szr h PHE 219 CO 0.06 0.32 -0.50 -0.44 -2.23 0.00 0.00 178.31 175.52 1szr h ASP 220 N 0.72 0.54 -0.69 0.41 3.32 -1.17 -2.34 116.42 117.21 1szr h ASP 220 Ca 0.36 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1szr h ASP 220 Cb 0.31 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1szr h ASP 220 CO -0.23 0.95 0.25 0.24 -1.72 0.00 0.00 179.24 178.73 1szr h MET 221 N 0.39 1.06 -0.21 3.56 2.86 -1.08 -0.87 114.93 120.64 1szr h MET 221 Ca 0.02 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1szr h MET 221 Cb 1.02 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 1szr h MET 221 CO 0.09 0.90 0.07 0.78 1.06 0.00 0.00 176.91 179.80 1szr h GLY 222 N 1.00 0.35 1.21 8.32 0.00 -1.11 -1.50 103.07 111.34 1szr h GLY 222 Ca 0.23 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 1szr h GLY 222 CO -0.01 0.19 0.23 -0.84 0.00 0.00 0.00 176.54 176.11 1szr h THR 223 N 0.17 1.24 -0.79 4.70 2.02 -1.36 -0.09 112.91 118.80 1szr h THR 223 Ca 0.07 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 1szr h THR 223 Cb 0.23 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1szr h THR 223 CO -0.00 0.31 0.42 -0.08 0.37 0.00 0.00 175.52 176.54 1szr h GLU 224 N 0.97 1.11 -0.01 6.66 4.81 -1.03 -2.90 114.58 124.19 1szr h GLU 224 Ca 0.22 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1szr h GLU 224 Cb 0.24 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1szr h GLU 224 CO -0.01 0.83 0.00 1.28 -0.73 0.00 0.00 179.01 180.38 1szr n LEU 225 N -4.41 0.64 0.00 1.64 4.77 -0.58 -4.91 117.00 114.15 1szr n LEU 225 Ca 0.07 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1szr n LEU 225 Cb 0.10 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1szr n LEU 225 CO 0.38 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1szr n GLY 226 N 1.06 0.51 3.75 -0.72 0.00 -0.94 -5.04 105.19 103.83 1szr n GLY 226 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1szr n GLY 226 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1szr s PHE 227 N -2.00 2.44 -1.16 1.61 0.40 -0.09 -4.96 117.98 114.22 1szr s PHE 227 Ca 0.00 1.58 -0.10 0.00 -0.60 0.00 0.00 56.93 57.81 1szr s PHE 227 Cb 0.00 -3.20 0.24 0.00 0.51 0.00 0.00 43.02 40.57 1szr s PHE 227 CO 0.00 -1.95 1.33 -1.71 0.70 0.00 0.00 175.22 173.59 1szr n ASN 228 N -2.91 5.51 -4.62 1.36 5.15 -1.23 -4.16 115.26 114.36 1szr n ASN 228 Ca 0.11 -3.07 -0.43 0.00 -0.60 0.00 0.00 54.58 50.58 1szr n ASN 228 Cb 0.52 -1.44 -0.02 0.00 -0.53 0.00 0.00 39.78 38.31 1szr n ASN 228 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1szr s MET 229 N -0.43 3.89 0.00 1.20 -1.94 -1.26 -4.30 119.30 116.46 1szr s MET 229 Ca 0.36 1.02 0.00 0.00 -1.71 0.00 0.00 55.69 55.36 1szr s MET 229 Cb -0.04 -3.86 0.00 0.00 2.01 0.00 0.00 34.83 32.94 1szr s MET 229 CO -0.02 -1.15 0.17 -2.39 -0.01 0.00 0.00 175.02 171.61 1szr n HIS 230 N 7.55 0.00 -4.61 -0.03 -0.00 -0.05 -4.94 115.22 113.13 1szr n HIS 230 Ca 0.13 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.58 1szr n HIS 230 Cb 0.47 0.01 -0.17 0.00 -0.00 0.00 0.00 29.99 30.31 1szr n HIS 230 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1szr s ILE 231 N 0.00 1.44 -0.16 0.61 1.01 -0.61 -1.72 121.20 121.77 1szr s ILE 231 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1szr s ILE 231 Cb 0.00 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.17 1szr s ILE 231 CO 0.00 0.43 -0.17 -0.22 0.00 0.00 0.00 174.94 174.98 1szr s LEU 232 N 0.78 2.39 -0.27 2.97 2.96 -0.86 -1.45 118.68 125.20 1szr s LEU 232 Ca -0.11 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.32 1szr s LEU 232 Cb -0.16 -1.54 0.06 0.00 0.50 0.00 0.00 46.19 45.06 1szr s LEU 232 CO 0.02 0.07 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.42 1szr s ASP 233 N 0.87 4.51 0.00 3.68 -1.08 -0.07 -0.45 116.67 124.14 1szr s ASP 233 Ca -0.04 -1.46 0.17 0.00 -0.52 0.00 0.00 52.55 50.70 1szr s ASP 233 Cb -0.15 -1.57 0.49 0.00 -1.46 0.00 0.00 42.92 40.23 1szr s ASP 233 CO -0.01 -0.21 1.40 2.30 0.52 0.00 0.00 175.17 179.16 1szr n ILE 234 N 4.43 0.57 -4.28 4.11 -5.35 0.74 -1.47 119.36 118.11 1szr n ILE 234 Ca -0.12 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 1szr n ILE 234 Cb 0.42 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 1szr n ILE 234 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1szr n GLY 235 N 1.29 -0.67 0.00 3.28 0.00 -1.04 -4.68 105.19 103.36 1szr n GLY 235 Ca 0.17 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1szr n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1szr n GLY 236 N 0.00 7.73 0.00 -0.02 0.00 -1.25 -0.42 105.19 111.23 1szr n GLY 236 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1szr n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1szr n GLY 237 N 4.95 0.74 3.73 -0.02 0.00 -1.26 -3.63 105.19 109.70 1szr n GLY 237 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1szr n GLY 237 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1szr s PHE 238 N -2.00 3.22 0.44 1.61 0.40 -1.26 -4.25 117.98 116.14 1szr s PHE 238 Ca 0.00 1.12 -0.25 0.00 -0.60 0.00 0.00 56.93 57.20 1szr s PHE 238 Cb 0.00 -3.65 -0.08 0.00 0.51 0.00 0.00 43.02 39.80 1szr s PHE 238 CO 0.00 -2.13 1.28 -1.25 0.70 0.00 0.00 175.22 173.82 1szr s PRO 239 N 0.18 3.81 -0.03 0.24 0.04 -1.26 -3.42 135.00 134.55 1szr s PRO 239 Ca 0.59 2.08 0.07 0.00 0.04 0.00 0.00 61.00 63.79 1szr s PRO 239 Cb -0.37 -2.62 0.17 0.00 0.04 0.00 0.00 34.50 31.72 1szr s PRO 239 CO 0.37 -0.60 1.12 0.41 0.04 0.00 0.00 177.00 178.34 1szr n GLY 240 N 0.63 3.31 3.46 0.56 0.00 -1.26 -4.55 105.19 107.35 1szr n GLY 240 Ca 0.05 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 1szr n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1szr s THR 241 N -1.44 1.73 0.07 2.61 -4.23 -1.26 -3.16 115.64 109.96 1szr s THR 241 Ca 0.14 -2.12 -0.15 0.00 -1.18 0.00 0.00 61.69 58.39 1szr s THR 241 Cb 0.10 -2.56 -0.21 0.00 1.34 0.00 0.00 72.50 71.17 1szr s THR 241 CO 0.05 -0.23 1.21 -0.09 -0.54 0.00 0.00 174.62 175.03 1szr h ARG 242 N 2.18 0.67 -0.73 3.99 9.65 -2.01 -3.30 114.38 124.82 1szr h ARG 242 Ca -0.41 -0.65 0.00 0.00 -1.10 0.00 0.00 59.98 57.83 1szr h ARG 242 Cb 1.24 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 1szr h ARG 242 CO 0.69 1.25 0.00 -0.40 2.80 0.00 0.00 179.97 184.31 1szr n ASP 243 N -3.98 1.35 -4.72 -3.80 5.75 -1.26 -4.82 116.55 105.07 1szr n ASP 243 Ca -0.10 -2.09 -0.41 0.00 -0.01 0.00 0.00 54.79 52.18 1szr n ASP 243 Cb 0.78 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 40.42 1szr n ASP 243 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1szr s ALA 244 N -1.39 3.27 -0.06 2.12 0.00 -1.25 -4.99 121.76 119.47 1szr s ALA 244 Ca 0.07 0.66 -0.23 0.00 0.00 0.00 0.00 51.96 52.45 1szr s ALA 244 Cb 0.05 -3.33 -0.19 0.00 0.00 0.00 0.00 23.12 19.65 1szr s ALA 244 CO 0.03 -0.17 0.96 -1.00 0.00 0.00 0.00 175.76 175.58 1szr h PRO 245 N 5.90 -0.11 -6.56 0.00 0.13 -1.94 -3.40 132.00 126.02 1szr h PRO 245 Ca -0.43 0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.15 1szr h PRO 245 Cb 1.21 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 1szr h PRO 245 CO 0.74 0.43 1.00 -1.17 -0.23 0.00 0.00 178.00 178.77 1szr s LEU 246 N -8.92 3.66 0.52 1.56 2.96 -1.26 -5.00 118.68 112.19 1szr s LEU 246 Ca -0.14 0.77 -0.18 0.00 -0.22 0.00 0.00 54.13 54.36 1szr s LEU 246 Cb 0.00 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 1szr s LEU 246 CO 0.56 -1.31 1.01 -0.54 -1.32 0.00 0.00 176.35 174.76 1szr s LYS 247 N 4.63 3.77 0.16 1.98 -0.14 -1.26 -4.80 119.74 124.08 1szr s LYS 247 Ca 0.56 1.14 -0.15 0.00 -1.36 0.00 0.00 55.97 56.16 1szr s LYS 247 Cb -0.12 -2.10 0.05 0.00 -1.68 0.00 0.00 37.83 33.98 1szr s LYS 247 CO 0.30 -0.43 1.80 0.35 -0.76 0.00 0.00 175.35 176.61 1szr h PHE 248 N 1.07 0.46 -0.28 3.18 3.57 -1.94 -2.53 116.94 120.47 1szr h PHE 248 Ca -0.48 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 1szr h PHE 248 Cb 1.20 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1szr h PHE 248 CO 0.60 0.26 0.03 0.93 -2.23 0.00 0.00 178.31 177.91 1szr h GLU 249 N 0.50 0.41 -0.18 1.11 3.07 -1.99 0.48 114.58 117.98 1szr h GLU 249 Ca 0.17 -0.07 -0.22 0.00 -0.50 0.00 0.00 59.36 58.75 1szr h GLU 249 Cb 0.02 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1szr h GLU 249 CO -0.08 0.42 -0.74 1.49 -1.40 0.00 0.00 179.01 178.70 1szr h GLU 250 N 0.41 0.81 0.14 2.33 4.81 -1.92 -2.40 114.58 118.76 1szr h GLU 250 Ca 0.09 -0.63 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 1szr h GLU 250 Cb 0.22 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1szr h GLU 250 CO 0.00 1.24 -0.07 0.82 -0.73 0.00 0.00 179.01 180.27 1szr h ILE 251 N 0.57 0.92 -0.58 2.32 2.04 -0.84 -2.40 117.51 119.54 1szr h ILE 251 Ca -0.04 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.59 1szr h ILE 251 Cb 1.36 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1szr h ILE 251 CO 0.15 0.06 0.38 0.00 0.00 0.00 0.00 178.15 178.75 1szr h ALA 252 N 0.53 1.72 -0.14 1.87 0.00 -1.03 -1.14 119.26 121.07 1szr h ALA 252 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1szr h ALA 252 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1szr h ALA 252 CO 0.03 0.21 0.09 0.78 0.00 0.00 0.00 179.25 180.36 1szr h GLY 253 N 0.66 0.19 1.68 0.00 0.00 -1.21 -1.28 103.07 103.12 1szr h GLY 253 Ca 0.24 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.39 1szr h GLY 253 CO -0.06 0.07 -0.32 -2.08 0.00 0.00 0.00 176.54 174.15 1szr h VAL 254 N 0.18 1.28 -0.08 4.60 2.07 -0.86 -2.60 116.25 120.84 1szr h VAL 254 Ca 0.05 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1szr h VAL 254 Cb -0.01 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1szr h VAL 254 CO -0.01 0.41 -0.03 0.40 0.02 0.00 0.00 177.57 178.36 1szr h ILE 255 N 0.31 1.31 -0.70 4.57 2.04 -1.06 -2.26 117.51 121.74 1szr h ILE 255 Ca 0.04 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.84 1szr h ILE 255 Cb 0.72 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1szr h ILE 255 CO 0.05 0.28 0.25 0.78 0.00 0.00 0.00 178.15 179.52 1szr h ASN 256 N -0.21 0.97 -0.70 1.72 -0.26 -1.20 0.17 115.58 116.07 1szr h ASN 256 Ca 0.02 -0.15 -0.02 0.00 -0.56 0.00 0.00 56.30 55.58 1szr h ASN 256 Cb 0.46 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 1szr h ASN 256 CO 0.01 0.88 0.35 0.78 -1.06 0.00 0.00 177.43 178.40 1szr h ASN 257 N 1.02 0.89 -0.13 5.81 4.21 -1.48 -1.16 115.58 124.74 1szr h ASN 257 Ca 0.23 -0.12 -0.12 0.00 1.21 0.00 0.00 56.30 57.51 1szr h ASN 257 Cb 0.24 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 1szr h ASN 257 CO -0.01 0.76 -0.30 0.00 -1.29 0.00 0.00 177.43 176.58 1szr h ALA 258 N 1.17 0.92 -0.10 -0.83 0.00 -0.77 -2.53 119.26 117.13 1szr h ALA 258 Ca 0.24 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1szr h ALA 258 Cb 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1szr h ALA 258 CO -0.03 0.62 -0.09 -0.07 0.00 0.00 0.00 179.25 179.68 1szr h LEU 259 N 0.53 0.25 -1.72 0.00 4.07 -0.49 -0.60 115.31 117.35 1szr h LEU 259 Ca 0.06 -0.47 0.05 0.00 0.08 0.00 0.00 57.88 57.61 1szr h LEU 259 Cb 0.78 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 1szr h LEU 259 CO 0.06 0.67 0.28 -0.08 -1.08 0.00 0.00 178.44 178.29 1szr h GLU 260 N -0.16 0.34 0.07 1.13 4.57 -1.23 0.38 114.58 119.68 1szr h GLU 260 Ca 0.02 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1szr h GLU 260 Cb 0.59 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1szr h GLU 260 CO 0.02 0.23 -0.03 -0.22 -1.18 0.00 0.00 179.01 177.83 1szr h LYS 261 N 0.35 -0.09 0.00 1.92 3.64 -1.22 -3.37 116.57 117.80 1szr h LYS 261 Ca 0.18 0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 59.23 1szr h LYS 261 Cb 0.27 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1szr h LYS 261 CO -0.04 0.48 -2.27 0.72 -2.27 0.00 0.00 179.45 176.07 1szr n HIS 262 N -4.82 0.00 -3.42 1.91 8.25 -0.25 -4.66 115.22 112.22 1szr n HIS 262 Ca -0.08 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.11 1szr n HIS 262 Cb 0.30 -0.89 -0.08 0.00 1.12 0.00 0.00 29.99 30.44 1szr n HIS 262 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1szr n PHE 263 N -2.87 3.13 -1.87 4.41 3.01 0.13 -4.97 117.46 118.43 1szr n PHE 263 Ca -0.34 -4.09 -0.37 0.00 1.01 0.00 0.00 57.45 53.66 1szr n PHE 263 Cb 1.03 -0.53 0.05 0.00 -0.01 0.00 0.00 39.48 40.02 1szr n PHE 263 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1szr s PRO 264 N -2.26 2.83 0.27 -1.08 0.04 -1.18 -4.47 135.00 129.15 1szr s PRO 264 Ca 0.39 1.99 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 1szr s PRO 264 Cb 0.14 -1.95 -0.14 0.00 0.04 0.00 0.00 34.50 32.59 1szr s PRO 264 CO -0.03 -1.36 1.09 -2.30 0.04 0.00 0.00 177.00 174.44 1szr n PRO 265 N -1.63 1.46 -3.64 0.56 -0.02 -1.26 -4.98 135.00 125.48 1szr n PRO 265 Ca 0.14 0.51 -0.05 0.00 -2.02 0.00 0.00 63.50 62.08 1szr n PRO 265 Cb 0.48 -1.95 -0.07 0.00 -0.02 0.00 0.00 33.50 31.95 1szr n PRO 265 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1szr s ASP 266 N -0.38 -0.62 0.51 2.55 -1.08 -1.26 -5.06 116.67 111.33 1szr s ASP 266 Ca 0.61 1.03 0.26 0.00 -0.52 0.00 0.00 52.55 53.93 1szr s ASP 266 Cb -0.71 1.22 1.39 0.00 -1.46 0.00 0.00 42.92 43.36 1szr s ASP 266 CO 0.58 -0.16 2.06 -0.07 0.52 0.00 0.00 175.17 178.10 1szr h LEU 267 N 5.98 0.00 -0.22 -1.34 3.38 -2.04 -2.06 115.31 119.01 1szr h LEU 267 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1szr h LEU 267 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1szr h LEU 267 CO 0.17 0.13 0.00 0.11 0.09 0.00 0.00 178.44 178.94 1szr h LYS 268 N 0.00 0.00 -5.37 1.13 1.57 -1.97 -3.45 116.57 108.49 1szr h LYS 268 Ca -0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 1szr h LYS 268 Cb 0.34 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.54 1szr h LYS 268 CO 0.02 0.00 -0.46 -1.17 -0.57 0.00 0.00 179.45 177.26 1szr s LEU 269 N -5.22 4.25 -0.07 2.94 2.96 -0.78 -4.76 118.68 118.00 1szr s LEU 269 Ca 0.08 0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 1szr s LEU 269 Cb 0.09 -2.13 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 1szr s LEU 269 CO 0.59 0.21 -0.25 0.42 -1.32 0.00 0.00 176.35 176.00 1szr s THR 270 N 0.13 2.07 -0.11 3.68 -4.23 -0.70 -4.78 115.64 111.71 1szr s THR 270 Ca 0.10 -1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 1szr s THR 270 Cb -0.11 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 1szr s THR 270 CO -0.00 0.57 0.01 -0.63 -0.54 0.00 0.00 174.62 174.03 1szr s ILE 271 N -0.01 4.37 0.02 2.99 1.01 -1.26 -2.04 121.20 126.28 1szr s ILE 271 Ca -0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 1szr s ILE 271 Cb -0.15 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 1szr s ILE 271 CO 0.05 0.57 -0.03 -0.69 0.00 0.00 0.00 174.94 174.85 1szr s VAL 272 N -0.58 0.12 0.25 2.92 1.01 0.40 -1.48 120.40 123.03 1szr s VAL 272 Ca 0.10 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1szr s VAL 272 Cb -0.12 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1szr s VAL 272 CO 0.02 -0.54 0.11 0.00 0.00 0.00 0.00 175.10 174.70 1szr s ALA 273 N -1.65 1.59 -0.41 5.51 0.00 -0.71 -0.19 121.76 125.90 1szr s ALA 273 Ca -0.14 -1.81 0.11 0.00 0.00 0.00 0.00 51.96 50.11 1szr s ALA 273 Cb -0.09 1.16 0.41 0.00 0.00 0.00 0.00 23.12 24.60 1szr s ALA 273 CO -0.02 -0.50 0.97 0.39 0.00 0.00 0.00 175.76 176.60 1szr n GLU 274 N -0.42 2.21 -2.13 0.00 1.02 0.44 -0.63 120.64 121.13 1szr n GLU 274 Ca 0.01 -3.94 -0.41 0.00 -0.02 0.00 0.00 57.16 52.80 1szr n GLU 274 Cb 0.66 -1.81 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 1szr n GLU 274 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1szr s PRO 275 N -3.21 4.36 0.00 3.49 0.04 -1.25 -3.74 135.00 134.69 1szr s PRO 275 Ca 0.39 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1szr s PRO 275 Cb 0.40 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1szr s PRO 275 CO -0.08 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1szr n GLY 276 N 1.07 0.08 0.26 0.56 0.00 -1.26 -1.78 105.19 104.12 1szr n GLY 276 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1szr n GLY 276 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1szr h ARG 277 N 0.00 0.00 -0.53 1.61 0.11 -1.90 -2.69 114.38 110.98 1szr h ARG 277 Ca 0.00 0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.19 1szr h ARG 277 Cb 0.00 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 30.98 1szr h ARG 277 CO 0.00 0.13 -0.17 -0.92 0.10 0.00 0.00 179.97 179.11 1szr h TYR 278 N 0.00 -0.38 -0.07 4.08 3.20 -1.80 -2.23 116.97 119.77 1szr h TYR 278 Ca -0.00 0.05 -0.21 0.00 3.14 0.00 0.00 58.73 61.71 1szr h TYR 278 Cb 0.36 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1szr h TYR 278 CO 0.00 -0.26 -0.83 1.88 -1.64 0.00 0.00 178.16 177.30 1szr h TYR 279 N -0.04 0.76 -0.00 -3.82 -1.99 -1.80 -3.40 116.97 106.68 1szr h TYR 279 Ca 0.25 -0.36 0.00 0.00 2.00 0.00 0.00 58.73 60.62 1szr h TYR 279 Cb 0.43 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.05 1szr h TYR 279 CO -0.47 1.17 -0.07 1.33 -0.00 0.00 0.00 178.16 180.12 1szr n VAL 280 N -3.84 0.00 0.18 -2.88 0.24 -1.17 -4.36 118.33 106.50 1szr n VAL 280 Ca -0.06 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.34 61.62 1szr n VAL 280 Cb 0.77 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 34.08 1szr n VAL 280 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1szr h ALA 281 N 0.37 -0.41 -0.04 2.33 0.00 -1.61 -2.67 119.26 117.22 1szr h ALA 281 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1szr h ALA 281 Cb 0.07 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1szr h ALA 281 CO 0.00 -0.73 0.00 -1.13 0.00 0.00 0.00 179.25 177.39 1szr n SER 282 N -5.28 0.92 0.14 0.00 3.41 -1.19 -2.21 113.62 109.41 1szr n SER 282 Ca -0.10 -1.40 0.02 0.00 -0.26 0.00 0.00 58.87 57.13 1szr n SER 282 Cb 0.19 -0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.14 1szr n SER 282 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1szr h ALA 283 N 4.08 0.67 -3.39 7.33 0.00 -1.75 -3.43 119.26 122.77 1szr h ALA 283 Ca 0.00 -0.47 -0.68 0.00 0.00 0.00 0.00 54.91 53.76 1szr h ALA 283 Cb 0.29 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 17.85 1szr h ALA 283 CO 0.00 0.64 -0.64 -0.06 0.00 0.00 0.00 179.25 179.19 1szr s PHE 284 N -2.96 3.11 -0.09 0.00 0.40 -1.25 -0.39 117.98 116.81 1szr s PHE 284 Ca 0.04 0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.52 1szr s PHE 284 Cb 0.08 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.83 1szr s PHE 284 CO 0.75 0.41 -0.16 0.99 0.70 0.00 0.00 175.22 177.91 1szr s THR 285 N -0.77 1.46 -0.11 0.64 2.01 -0.64 -1.72 115.64 116.51 1szr s THR 285 Ca 0.12 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.34 1szr s THR 285 Cb -0.11 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 1szr s THR 285 CO 0.02 0.43 0.32 -0.22 -0.69 0.00 0.00 174.62 174.48 1szr s LEU 286 N 0.77 4.33 -0.22 4.42 2.96 -0.30 -1.17 118.68 129.47 1szr s LEU 286 Ca -0.11 0.65 -0.03 0.00 -0.22 0.00 0.00 54.13 54.41 1szr s LEU 286 Cb -0.16 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.12 1szr s LEU 286 CO 0.02 0.19 -0.05 0.00 -1.32 0.00 0.00 176.35 175.19 1szr s ALA 287 N -0.14 2.77 0.08 5.97 0.00 0.04 -0.95 121.76 129.53 1szr s ALA 287 Ca 0.19 -1.21 0.10 0.00 0.00 0.00 0.00 51.96 51.03 1szr s ALA 287 Cb -0.14 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1szr s ALA 287 CO 0.07 -0.48 -0.26 0.54 0.00 0.00 0.00 175.76 175.63 1szr s VAL 288 N 1.45 2.10 -0.12 0.00 0.11 -0.14 -1.68 120.40 122.12 1szr s VAL 288 Ca 0.05 -1.51 -0.10 0.00 -2.93 0.00 0.00 61.98 57.49 1szr s VAL 288 Cb -0.14 -1.83 -0.05 0.00 -1.53 0.00 0.00 36.38 32.83 1szr s VAL 288 CO -0.04 0.22 0.21 0.21 -3.33 0.00 0.00 175.10 172.37 1szr s ASN 289 N -1.57 6.44 -0.47 3.54 2.47 -1.26 -0.77 114.94 123.31 1szr s ASN 289 Ca 0.12 0.52 -0.28 0.00 0.42 0.00 0.00 52.86 53.63 1szr s ASN 289 Cb -0.10 -2.12 0.01 0.00 -1.45 0.00 0.00 41.25 37.59 1szr s ASN 289 CO 0.04 0.30 1.40 -0.69 -3.72 0.00 0.00 177.10 174.42 1szr s VAL 290 N -0.53 3.88 -1.06 -5.21 1.01 -0.59 -2.50 120.40 115.40 1szr s VAL 290 Ca 0.15 0.85 0.23 0.00 0.00 0.00 0.00 61.98 63.21 1szr s VAL 290 Cb -0.13 -4.31 -0.12 0.00 0.00 0.00 0.00 36.38 31.82 1szr s VAL 290 CO 0.04 -0.92 1.12 2.30 0.00 0.00 0.00 175.10 177.65 1szr n ILE 291 N 7.00 0.00 -3.52 2.22 -5.35 0.40 -1.23 119.36 118.88 1szr n ILE 291 Ca 0.15 -0.01 -0.10 0.00 -0.27 0.00 0.00 62.75 62.52 1szr n ILE 291 Cb 0.49 0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 39.07 1szr n ILE 291 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1szr s ALA 292 N -2.97 -1.83 0.05 -1.28 0.00 -1.12 -4.95 121.76 109.66 1szr s ALA 292 Ca 0.10 1.14 -0.05 0.00 0.00 0.00 0.00 51.96 53.14 1szr s ALA 292 Cb 0.17 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1szr s ALA 292 CO 0.79 -0.59 0.09 -1.59 0.00 0.00 0.00 175.76 174.46 1szr s LYS 293 N -2.57 0.64 -0.13 0.00 -2.85 -1.26 -1.89 119.74 111.67 1szr s LYS 293 Ca 0.02 -0.87 -0.07 0.00 -1.00 0.00 0.00 55.97 54.05 1szr s LYS 293 Cb -0.01 0.25 0.05 0.00 -2.06 0.00 0.00 37.83 36.06 1szr s LYS 293 CO -0.06 -0.16 0.31 0.00 0.10 0.00 0.00 175.35 175.54 1szr s ALA 294 N -3.06 -0.76 0.07 0.59 0.00 -0.87 -4.99 121.76 112.75 1szr s ALA 294 Ca -0.01 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.16 1szr s ALA 294 Cb 0.01 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1szr s ALA 294 CO -0.07 -0.22 0.03 0.08 0.00 0.00 0.00 175.76 175.58 1szr s VAL 295 N 1.18 4.21 -0.25 0.00 1.01 -1.26 -1.46 120.40 123.83 1szr s VAL 295 Ca -0.08 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 1szr s VAL 295 Cb -0.09 -3.00 0.07 0.00 0.00 0.00 0.00 36.38 33.37 1szr s VAL 295 CO -0.09 0.15 0.02 -0.89 0.00 0.00 0.00 175.10 174.29 1szr s THR 296 N -1.31 1.13 -1.01 3.92 2.01 -0.89 -5.02 115.64 114.48 1szr s THR 296 Ca 0.26 -1.16 -0.21 0.00 0.31 0.00 0.00 61.69 60.89 1szr s THR 296 Cb -0.12 -1.61 0.08 0.00 0.01 0.00 0.00 72.50 70.86 1szr s THR 296 CO 0.18 -0.31 1.35 -2.16 -0.69 0.00 0.00 174.62 172.99 1szr s PRO 297 N 1.55 3.62 0.24 4.92 0.04 -1.26 -2.20 135.00 141.91 1szr s PRO 297 Ca 0.01 -1.42 -0.18 0.00 0.04 0.00 0.00 61.00 59.44 1szr s PRO 297 Cb -0.18 -5.21 -0.12 0.00 0.04 0.00 0.00 34.50 29.03 1szr s PRO 297 CO -0.12 -2.05 0.20 0.00 0.04 0.00 0.00 177.00 175.08 1szr n ALA 311 N 7.97 -2.53 -2.58 8.56 0.00 -1.26 -4.79 120.51 125.88 1szr n ALA 311 Ca 0.31 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.51 1szr n ALA 311 Cb 0.50 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1szr n ALA 311 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1szr s GLN 312 N -0.76 3.79 0.18 0.00 0.74 -1.25 -5.01 119.66 117.35 1szr s GLN 312 Ca 0.47 0.73 0.07 0.00 0.05 0.00 0.00 55.36 56.68 1szr s GLN 312 Cb -0.58 -3.88 -0.04 0.00 1.10 0.00 0.00 33.01 29.61 1szr s GLN 312 CO 0.46 -1.29 -0.15 -1.12 -0.55 0.00 0.00 175.29 172.64 1szr s SER 313 N 2.43 2.43 0.10 6.67 0.01 -0.93 -4.31 113.70 120.09 1szr s SER 313 Ca 0.49 -0.95 0.08 0.00 1.31 0.00 0.00 55.95 56.88 1szr s SER 313 Cb -0.09 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 1szr s SER 313 CO 0.28 -0.15 -0.21 -0.36 0.41 0.00 0.00 173.24 173.21 1szr s PHE 314 N -2.67 1.81 -0.18 2.43 0.40 -1.09 -2.09 117.98 116.58 1szr s PHE 314 Ca 0.18 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1szr s PHE 314 Cb -0.02 -1.00 0.03 0.00 0.51 0.00 0.00 43.02 42.54 1szr s PHE 314 CO 0.06 0.20 -0.17 -1.64 0.70 0.00 0.00 175.22 174.37 1szr s MET 315 N -1.88 2.65 -0.12 0.44 -1.94 -0.53 -2.11 119.30 115.81 1szr s MET 315 Ca 0.07 -0.81 -0.03 0.00 -1.71 0.00 0.00 55.69 53.21 1szr s MET 315 Cb -0.10 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.25 1szr s MET 315 CO 0.04 -0.27 -0.00 0.71 -0.01 0.00 0.00 175.02 175.49 1szr s TYR 316 N 1.34 3.12 -0.18 -0.03 1.51 -0.38 -2.05 117.35 120.68 1szr s TYR 316 Ca 0.03 0.04 -0.02 0.00 -1.01 0.00 0.00 57.07 56.11 1szr s TYR 316 Cb -0.14 -1.87 -0.01 0.00 -0.11 0.00 0.00 41.96 39.83 1szr s TYR 316 CO -0.11 0.29 -0.08 0.71 -1.11 0.00 0.00 175.55 175.24 1szr s TYR 317 N -0.38 2.91 0.33 2.71 1.51 -0.79 -0.32 117.35 123.32 1szr s TYR 317 Ca 0.07 -0.81 0.09 0.00 -1.01 0.00 0.00 57.07 55.41 1szr s TYR 317 Cb -0.12 -1.99 -0.05 0.00 -0.11 0.00 0.00 41.96 39.68 1szr s TYR 317 CO 0.02 -0.40 -0.01 0.14 -1.11 0.00 0.00 175.55 174.19 1szr s VAL 318 N 0.98 2.68 -0.46 0.71 -7.23 -0.44 -0.46 120.40 116.18 1szr s VAL 318 Ca -0.01 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 1szr s VAL 318 Cb -0.15 -2.76 0.34 0.00 0.56 0.00 0.00 36.38 34.38 1szr s VAL 318 CO -0.00 -0.23 1.22 -0.46 -0.31 0.00 0.00 175.10 175.31 1szr n ASN 319 N -0.91 3.23 -3.85 4.85 0.23 -1.04 -1.78 115.26 115.99 1szr n ASN 319 Ca -0.04 -2.55 -0.12 0.00 -0.53 0.00 0.00 54.58 51.33 1szr n ASN 319 Cb 0.62 -0.61 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 1szr n ASN 319 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1szr s ASP 320 N -0.21 -0.07 0.00 0.53 -1.08 -1.26 -4.76 116.67 109.82 1szr s ASP 320 Ca 0.25 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.33 1szr s ASP 320 Cb 0.20 0.27 0.00 0.00 -1.46 0.00 0.00 42.92 41.93 1szr s ASP 320 CO 0.06 -0.21 0.00 0.61 0.52 0.00 0.00 175.17 176.15 1szr n GLY 321 N 2.22 3.67 0.19 2.66 0.00 -1.26 -4.34 105.19 108.33 1szr n GLY 321 Ca -0.18 -0.90 0.14 0.00 0.00 0.00 0.00 46.02 45.08 1szr n GLY 321 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1szr h VAL 322 N 0.00 0.00 0.00 1.61 -1.51 -1.89 -0.91 116.25 113.55 1szr h VAL 322 Ca 0.00 -0.27 -0.03 0.00 -1.23 0.00 0.00 66.70 65.16 1szr h VAL 322 Cb 0.00 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.23 1szr h VAL 322 CO 0.00 0.00 -0.86 1.88 -1.23 0.00 0.00 177.57 177.36 1szr h TYR 323 N 0.00 0.00 0.00 5.19 -1.99 -1.94 -3.16 116.97 115.07 1szr h TYR 323 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1szr h TYR 323 Cb 0.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.08 1szr h TYR 323 CO 0.00 0.13 0.00 0.41 -0.00 0.00 0.00 178.16 178.70 1szr n GLY 324 N 1.20 0.52 0.29 3.88 0.00 -0.42 -1.52 105.19 109.14 1szr n GLY 324 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.17 1szr n GLY 324 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1szr h SER 325 N 0.00 0.00 -0.55 1.61 0.02 -1.81 -2.33 113.55 110.49 1szr h SER 325 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1szr h SER 325 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 1szr h SER 325 CO 0.00 0.05 0.14 0.49 -1.14 0.00 0.00 176.83 176.37 1szr n PHE 326 N -3.56 1.90 0.27 3.45 3.01 -0.74 -3.99 117.46 117.80 1szr n PHE 326 Ca -0.02 -0.84 0.14 0.00 1.01 0.00 0.00 57.45 57.73 1szr n PHE 326 Cb 0.16 -0.53 0.75 0.00 -0.01 0.00 0.00 39.48 39.85 1szr n PHE 326 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1szr h ASN 327 N 2.63 0.00 -0.44 4.37 7.08 -1.38 -2.30 115.58 125.54 1szr h ASN 327 Ca 0.13 0.00 0.13 0.00 -3.08 0.00 0.00 56.30 53.48 1szr h ASN 327 Cb 1.92 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 38.14 1szr h ASN 327 CO 0.53 0.10 0.49 0.00 -2.08 0.00 0.00 177.43 176.47 1szr h ILE 329 N 0.00 1.27 0.12 0.00 2.04 -1.62 0.39 117.51 119.71 1szr h ILE 329 Ca 0.21 -1.07 -0.19 0.00 1.00 0.00 0.00 64.86 64.80 1szr h ILE 329 Cb 1.18 1.20 0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1szr h ILE 329 CO -0.00 0.36 -0.91 -0.07 0.00 0.00 0.00 178.15 177.53 1szr h LEU 330 N 0.51 0.39 0.12 1.44 4.07 -1.53 -3.26 115.31 117.05 1szr h LEU 330 Ca 0.10 -0.92 -0.31 0.00 0.08 0.00 0.00 57.88 56.84 1szr h LEU 330 Cb 0.53 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 1szr h LEU 330 CO 0.03 1.42 -1.52 1.88 -1.08 0.00 0.00 178.44 179.17 1szr h TYR 331 N -0.43 0.48 -0.20 1.13 -1.99 -1.35 -3.40 116.97 111.22 1szr h TYR 331 Ca -0.18 -0.35 0.00 0.00 2.00 0.00 0.00 58.73 60.20 1szr h TYR 331 Cb 1.61 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.32 1szr h TYR 331 CO 0.18 1.39 0.00 -3.47 -0.00 0.00 0.00 178.16 176.26 1szr n ASP 332 N -3.47 2.85 -3.45 3.88 4.64 0.07 -4.98 116.55 116.10 1szr n ASP 332 Ca -0.16 -2.39 -0.25 0.00 -1.38 0.00 0.00 54.79 50.61 1szr n ASP 332 Cb 1.04 -0.28 0.02 0.00 -1.04 0.00 0.00 41.12 40.87 1szr n ASP 332 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1szr n HIS 333 N -0.24 -2.06 -3.04 -0.67 8.25 -1.06 -4.92 115.22 111.48 1szr n HIS 333 Ca 0.12 0.65 -0.39 0.00 -0.26 0.00 0.00 57.72 57.83 1szr n HIS 333 Cb 0.52 -3.81 -0.06 0.00 1.12 0.00 0.00 29.99 27.76 1szr n HIS 333 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1szr s ALA 334 N -3.13 3.47 -0.13 -1.41 0.00 -0.83 -4.98 121.76 114.74 1szr s ALA 334 Ca 0.47 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1szr s ALA 334 Cb -0.23 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1szr s ALA 334 CO 0.57 0.31 -0.21 0.14 0.00 0.00 0.00 175.76 176.57 1szr s VAL 335 N -1.16 2.15 0.11 0.00 -7.23 -1.26 -4.44 120.40 108.58 1szr s VAL 335 Ca 0.35 -0.96 0.09 0.00 -1.81 0.00 0.00 61.98 59.65 1szr s VAL 335 Cb -0.22 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1szr s VAL 335 CO 0.25 0.55 -0.20 0.68 -0.31 0.00 0.00 175.10 176.06 1szr s VAL 336 N 0.71 2.68 -0.20 1.32 -7.23 -1.26 -5.13 120.40 111.30 1szr s VAL 336 Ca -0.09 -1.54 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1szr s VAL 336 Cb -0.16 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 1szr s VAL 336 CO 0.01 0.12 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.72 1szr s ARG 337 N -2.05 3.37 0.23 4.82 0.52 -1.26 -4.93 118.95 119.64 1szr s ARG 337 Ca 0.17 -0.65 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 1szr s ARG 337 Cb -0.10 -2.90 -0.09 0.00 0.52 0.00 0.00 34.95 32.38 1szr s ARG 337 CO 0.09 -0.09 0.93 -1.25 0.02 0.00 0.00 175.30 174.99 1szr s PRO 338 N 1.18 4.83 -0.12 3.54 0.04 -1.26 -4.44 135.00 138.77 1szr s PRO 338 Ca 0.02 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.49 1szr s PRO 338 Cb -0.14 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.16 1szr s PRO 338 CO -0.02 0.51 0.06 -0.51 0.04 0.00 0.00 177.00 177.08 1szr s LEU 339 N -1.13 0.45 0.26 -3.56 1.43 -0.07 -4.94 118.68 111.12 1szr s LEU 339 Ca 0.41 -0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 52.83 1szr s LEU 339 Cb -0.26 -0.30 -0.12 0.00 0.03 0.00 0.00 46.19 45.55 1szr s LEU 339 CO 0.31 -0.29 1.62 -2.65 0.23 0.00 0.00 176.35 175.57 1szr n PRO 340 N 5.23 2.65 0.08 1.29 -0.02 -1.26 -0.20 135.00 142.78 1szr n PRO 340 Ca -0.06 0.95 -0.06 0.00 -2.02 0.00 0.00 63.50 62.30 1szr n PRO 340 Cb 0.49 -2.74 -0.05 0.00 -0.02 0.00 0.00 33.50 31.18 1szr n PRO 340 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1szr h GLN 341 N 5.37 0.03 -7.07 -0.52 -0.00 -1.89 -3.46 115.11 107.58 1szr h GLN 341 Ca -0.46 -0.05 -0.55 0.00 -0.00 0.00 0.00 58.65 57.60 1szr h GLN 341 Cb 1.22 0.02 0.14 0.00 -0.00 0.00 0.00 27.48 28.85 1szr h GLN 341 CO 0.84 0.93 0.56 0.50 -0.00 0.00 0.00 178.83 181.66 1szr s ARG 342 N -2.95 2.99 0.21 0.06 3.52 -1.26 -4.92 118.95 116.60 1szr s ARG 342 Ca -0.00 2.11 -0.32 0.00 -0.13 0.00 0.00 55.73 57.39 1szr s ARG 342 Cb 0.10 -2.11 -0.12 0.00 -1.56 0.00 0.00 34.95 31.26 1szr s ARG 342 CO 0.81 -1.27 1.65 -1.91 -0.81 0.00 0.00 175.30 173.77 1szr n GLU 343 N -1.31 2.58 -2.43 5.12 4.07 -1.26 -4.93 120.64 122.47 1szr n GLU 343 Ca 0.12 0.93 -0.43 0.00 -0.06 0.00 0.00 57.16 57.72 1szr n GLU 343 Cb 0.47 -2.74 -0.02 0.00 -0.06 0.00 0.00 31.44 29.09 1szr n GLU 343 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1szr s PRO 344 N 0.75 3.76 0.21 5.31 0.04 -1.26 -5.01 135.00 138.80 1szr s PRO 344 Ca 0.74 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 1szr s PRO 344 Cb -0.55 -3.93 -0.08 0.00 0.04 0.00 0.00 34.50 29.97 1szr s PRO 344 CO 0.37 -1.33 1.12 0.42 0.04 0.00 0.00 177.00 177.62 1szr s ILE 345 N 4.77 3.69 0.33 0.56 1.09 -1.26 -4.98 121.20 125.40 1szr s ILE 345 Ca 0.56 1.52 -0.29 0.00 -1.10 0.00 0.00 60.65 61.34 1szr s ILE 345 Cb -0.14 -3.97 -0.12 0.00 -1.06 0.00 0.00 42.46 37.18 1szr s ILE 345 CO 0.28 0.29 1.43 -2.65 -0.10 0.00 0.00 174.94 174.19 1szr n PRO 346 N 2.05 2.41 -2.43 2.79 -0.02 -1.26 -3.00 135.00 135.54 1szr n PRO 346 Ca 0.02 0.85 -0.20 0.00 -2.02 0.00 0.00 63.50 62.15 1szr n PRO 346 Cb 0.45 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.39 1szr n PRO 346 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1szr n ASN 347 N 1.14 -5.59 -4.82 2.55 2.85 -1.26 -4.99 115.26 105.14 1szr n ASN 347 Ca 0.05 0.01 -0.34 0.00 -0.11 0.00 0.00 54.58 54.19 1szr n ASN 347 Cb 0.36 -4.66 -0.06 0.00 1.24 0.00 0.00 39.78 36.66 1szr n ASN 347 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1szr s GLU 348 N -5.07 4.23 0.31 1.20 -1.05 -1.16 -5.03 118.70 112.13 1szr s GLU 348 Ca 0.01 0.95 -0.28 0.00 -0.15 0.00 0.00 54.97 55.50 1szr s GLU 348 Cb -0.01 -2.55 -0.09 0.00 -0.44 0.00 0.00 34.13 31.04 1szr s GLU 348 CO 0.02 0.19 1.10 0.21 0.95 0.00 0.00 175.26 177.73 1szr s LYS 349 N -2.60 4.50 -0.08 -4.83 2.47 -1.26 -5.02 119.74 112.92 1szr s LYS 349 Ca 0.52 1.75 0.01 0.00 -1.56 0.00 0.00 55.97 56.70 1szr s LYS 349 Cb -0.13 -3.03 -0.02 0.00 -1.46 0.00 0.00 37.83 33.19 1szr s LYS 349 CO 0.18 0.10 -0.11 -0.51 0.16 0.00 0.00 175.35 175.18 1szr s LEU 350 N -1.76 2.90 0.14 5.43 1.02 -1.26 -4.22 118.68 120.93 1szr s LEU 350 Ca 0.48 -0.16 0.09 0.00 0.02 0.00 0.00 54.13 54.56 1szr s LEU 350 Cb -0.30 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 1szr s LEU 350 CO 0.38 0.30 -0.22 -0.31 0.02 0.00 0.00 176.35 176.53 1szr s TYR 351 N -0.46 1.97 0.09 0.29 1.51 -0.78 -4.91 117.35 115.06 1szr s TYR 351 Ca 0.06 -0.42 -0.31 0.00 -1.01 0.00 0.00 57.07 55.40 1szr s TYR 351 Cb -0.12 -1.03 -0.08 0.00 -0.11 0.00 0.00 41.96 40.62 1szr s TYR 351 CO 0.02 0.31 1.42 -1.25 -1.11 0.00 0.00 175.55 174.94 1szr s PRO 352 N -2.30 4.30 0.01 -1.71 0.04 -1.26 -2.24 135.00 131.84 1szr s PRO 352 Ca 0.13 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.26 1szr s PRO 352 Cb -0.09 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1szr s PRO 352 CO 0.06 -0.50 -0.04 -1.12 0.04 0.00 0.00 177.00 175.44 1szr s SER 353 N 1.38 0.50 0.09 6.66 0.01 0.03 -2.67 113.70 119.70 1szr s SER 353 Ca 0.65 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.76 1szr s SER 353 Cb -0.36 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1szr s SER 353 CO 0.30 -0.03 0.07 -0.94 0.41 0.00 0.00 173.24 173.05 1szr s SER 354 N -0.47 5.47 -0.11 2.44 1.04 -0.90 -1.08 113.70 120.10 1szr s SER 354 Ca -0.02 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.40 1szr s SER 354 Cb -0.04 -1.45 0.01 0.00 0.10 0.00 0.00 66.02 64.64 1szr s SER 354 CO -0.00 0.16 -0.21 -0.69 0.98 0.00 0.00 173.24 173.49 1szr s VAL 355 N -1.41 1.87 0.18 5.02 1.01 -0.05 -1.25 120.40 125.76 1szr s VAL 355 Ca 0.29 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.48 1szr s VAL 355 Cb -0.12 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1szr s VAL 355 CO 0.22 0.52 -0.22 0.26 0.00 0.00 0.00 175.10 175.87 1szr s TRP 356 N 0.59 2.12 0.97 5.22 0.52 0.57 -0.39 118.94 128.55 1szr s TRP 356 Ca -0.14 -0.40 -0.16 0.00 0.02 0.00 0.00 56.10 55.43 1szr s TRP 356 Cb -0.17 -1.06 0.19 0.00 -1.15 0.00 0.00 33.47 31.28 1szr s TRP 356 CO 0.04 0.42 1.27 0.20 0.02 0.00 0.00 176.95 178.91 1szr s GLY 357 N -2.59 1.73 0.29 0.98 0.00 -0.48 -1.32 107.32 105.92 1szr s GLY 357 Ca 0.18 -1.08 0.25 0.00 0.00 0.00 0.00 44.72 44.06 1szr s GLY 357 CO 0.08 -0.34 1.63 -0.56 0.00 0.00 0.00 173.10 173.91 1szr h PRO 358 N -1.68 0.00 -7.23 2.90 0.13 -1.55 -3.42 132.00 121.16 1szr h PRO 358 Ca -0.45 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.20 1szr h PRO 358 Cb 1.26 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.58 1szr h PRO 358 CO 0.42 0.00 0.13 -0.08 -0.23 0.00 0.00 178.00 178.24 1szr s THR 359 N -3.16 2.17 -0.41 1.56 -1.32 -1.26 -4.95 115.64 108.26 1szr s THR 359 Ca 0.08 0.05 0.04 0.00 -1.21 0.00 0.00 61.69 60.65 1szr s THR 359 Cb 0.09 -2.18 0.60 0.00 -1.51 0.00 0.00 72.50 69.51 1szr s THR 359 CO 0.65 -0.07 1.84 0.00 -2.21 0.00 0.00 174.62 174.82 1szr s ASP 361 N -1.09 2.78 0.00 0.00 -1.08 -1.26 -5.04 116.67 110.98 1szr s ASP 361 Ca 0.52 -0.45 0.20 0.00 -0.52 0.00 0.00 52.55 52.30 1szr s ASP 361 Cb 0.44 -0.61 1.06 0.00 -1.46 0.00 0.00 42.92 42.35 1szr s ASP 361 CO 0.10 0.24 1.62 0.61 0.52 0.00 0.00 175.17 178.26 1szr n GLY 362 N 2.83 -0.86 0.02 2.66 0.00 -1.26 -1.77 105.19 106.81 1szr n GLY 362 Ca -0.17 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 45.86 1szr n GLY 362 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1szr n LEU 363 N -1.21 0.66 -4.07 0.99 7.94 -1.26 -4.66 117.00 115.39 1szr n LEU 363 Ca 0.11 -0.14 -0.43 0.00 -1.11 0.00 0.00 56.01 54.44 1szr n LEU 363 Cb 0.13 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1szr n LEU 363 CO 0.14 0.11 2.15 -0.67 -1.11 0.00 0.00 177.39 178.01 1szr n ASP 364 N -1.77 4.63 -4.06 1.96 2.03 -0.73 -4.89 116.55 113.72 1szr n ASP 364 Ca 0.03 -2.95 -0.28 0.00 0.52 0.00 0.00 54.79 52.10 1szr n ASP 364 Cb 0.40 -1.62 -0.17 0.00 -0.72 0.00 0.00 41.12 39.01 1szr n ASP 364 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1szr s GLN 365 N 2.47 2.23 -0.16 -0.67 0.74 -1.26 -1.39 119.66 121.62 1szr s GLN 365 Ca 0.46 -0.57 -0.13 0.00 0.05 0.00 0.00 55.36 55.17 1szr s GLN 365 Cb 0.08 -1.88 -0.23 0.00 1.10 0.00 0.00 33.01 32.08 1szr s GLN 365 CO -0.01 -0.05 0.30 -0.89 -0.55 0.00 0.00 175.29 174.09 1szr n ILE 366 N 4.15 1.68 -4.11 -2.34 5.41 0.48 -4.89 119.36 119.74 1szr n ILE 366 Ca -0.19 -0.39 -0.19 0.00 1.00 0.00 0.00 62.75 62.97 1szr n ILE 366 Cb 0.51 -1.87 -0.16 0.00 -0.71 0.00 0.00 39.64 37.41 1szr n ILE 366 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1szr s VAL 367 N -2.48 0.47 -0.10 1.39 1.01 -0.90 -4.77 120.40 115.02 1szr s VAL 367 Ca -0.25 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 1szr s VAL 367 Cb 0.06 -0.51 -0.25 0.00 0.00 0.00 0.00 36.38 35.68 1szr s VAL 367 CO 0.69 0.21 0.90 -0.08 0.00 0.00 0.00 175.10 176.82 1szr h GLU 368 N 7.22 0.05 -2.15 2.72 4.81 -1.85 -0.11 114.58 125.26 1szr h GLU 368 Ca -0.38 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 58.61 1szr h GLU 368 Cb 1.15 0.02 -0.31 0.00 0.63 0.00 0.00 28.75 30.24 1szr h GLU 368 CO 0.47 0.92 -0.50 0.50 -0.73 0.00 0.00 179.01 179.67 1szr s ARG 369 N -2.70 0.30 -0.05 1.92 3.52 -1.24 -3.84 118.95 116.86 1szr s ARG 369 Ca -0.18 0.54 -0.08 0.00 -0.13 0.00 0.00 55.73 55.88 1szr s ARG 369 Cb -0.01 -0.51 0.01 0.00 -1.56 0.00 0.00 34.95 32.88 1szr s ARG 369 CO 0.70 -0.58 0.19 -0.47 -0.81 0.00 0.00 175.30 174.34 1szr s TYR 370 N 2.50 -0.13 -0.54 5.12 5.04 -0.24 -4.89 117.35 124.20 1szr s TYR 370 Ca 0.09 0.30 -0.23 0.00 -2.44 0.00 0.00 57.07 54.79 1szr s TYR 370 Cb -0.15 0.04 0.04 0.00 0.35 0.00 0.00 41.96 42.24 1szr s TYR 370 CO -0.14 -0.19 0.89 0.71 -1.34 0.00 0.00 175.55 175.48 1szr s TYR 371 N -0.49 2.84 0.13 4.97 1.51 -1.26 -0.79 117.35 124.26 1szr s TYR 371 Ca -0.06 -0.08 0.09 0.00 -1.01 0.00 0.00 57.07 56.01 1szr s TYR 371 Cb -0.04 -3.98 -0.04 0.00 -0.11 0.00 0.00 41.96 37.80 1szr s TYR 371 CO 0.01 -1.29 -0.21 -0.51 -1.11 0.00 0.00 175.55 172.44 1szr s LEU 372 N 3.72 2.35 0.79 -1.29 1.43 -0.95 -4.85 118.68 119.88 1szr s LEU 372 Ca 0.28 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 1szr s LEU 372 Cb -0.13 -0.95 0.07 0.00 0.03 0.00 0.00 46.19 45.21 1szr s LEU 372 CO 0.18 0.06 1.11 -2.16 0.23 0.00 0.00 176.35 175.77 1szr s PRO 373 N -2.24 2.07 0.15 1.29 0.04 -1.26 -1.86 135.00 133.18 1szr s PRO 373 Ca 0.11 1.27 -0.31 0.00 0.04 0.00 0.00 61.00 62.11 1szr s PRO 373 Cb -0.09 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 1szr s PRO 373 CO 0.06 -1.80 1.82 -1.91 0.04 0.00 0.00 177.00 175.20 1szr n GLU 374 N -3.54 2.82 -3.70 4.56 2.13 -1.26 -4.89 120.64 116.75 1szr n GLU 374 Ca 0.10 1.02 -0.22 0.00 0.66 0.00 0.00 57.16 58.72 1szr n GLU 374 Cb 0.53 -2.91 -0.03 0.00 0.27 0.00 0.00 31.44 29.30 1szr n GLU 374 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 1szr s MET 375 N 2.35 2.42 0.11 5.31 -1.94 -1.26 -5.15 119.30 121.14 1szr s MET 375 Ca 0.80 -1.69 0.04 0.00 -1.71 0.00 0.00 55.69 53.13 1szr s MET 375 Cb -0.48 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.06 1szr s MET 375 CO 0.36 -0.29 -0.11 -0.65 -0.01 0.00 0.00 175.02 174.32 1szr s GLN 376 N -4.14 0.93 0.23 2.03 -1.52 -1.26 -5.08 119.66 110.84 1szr s GLN 376 Ca 0.45 -1.26 -0.31 0.00 -1.95 0.00 0.00 55.36 52.29 1szr s GLN 376 Cb -0.02 -0.60 -0.11 0.00 -0.22 0.00 0.00 33.01 32.06 1szr s GLN 376 CO 0.26 0.09 1.62 0.08 -0.25 0.00 0.00 175.29 177.09 1szr s VAL 377 N -2.68 2.25 0.00 1.09 1.01 -1.26 -2.26 120.40 118.54 1szr s VAL 377 Ca 0.09 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1szr s VAL 377 Cb -0.01 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1szr s VAL 377 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1szr n GLY 378 N 3.21 2.76 3.87 4.51 0.00 -0.37 -5.04 105.19 114.13 1szr n GLY 378 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1szr n GLY 378 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1szr s GLU 379 N -0.41 1.21 0.05 1.61 2.02 -0.96 -4.78 118.70 117.44 1szr s GLU 379 Ca 0.00 -0.02 0.09 0.00 0.02 0.00 0.00 54.97 55.06 1szr s GLU 379 Cb 0.00 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 1szr s GLU 379 CO 0.00 -2.09 -0.26 -1.58 0.02 0.00 0.00 175.26 171.35 1szr s TRP 380 N -3.58 2.35 -0.04 1.61 0.52 -1.26 -1.54 118.94 116.99 1szr s TRP 380 Ca 0.67 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 56.45 1szr s TRP 380 Cb -0.09 -1.39 -0.02 0.00 -1.15 0.00 0.00 33.47 30.81 1szr s TRP 380 CO 0.51 0.16 -0.19 -0.51 0.02 0.00 0.00 176.95 176.94 1szr s LEU 381 N -1.33 2.44 -0.03 2.99 1.43 0.05 -3.03 118.68 121.19 1szr s LEU 381 Ca 0.12 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1szr s LEU 381 Cb -0.10 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 1szr s LEU 381 CO 0.03 0.33 -0.15 -0.76 0.23 0.00 0.00 176.35 176.03 1szr s LEU 382 N -0.69 2.68 -0.21 1.79 1.43 0.72 -0.96 118.68 123.44 1szr s LEU 382 Ca 0.11 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1szr s LEU 382 Cb -0.10 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.62 1szr s LEU 382 CO -0.00 0.33 -0.08 -0.36 0.23 0.00 0.00 176.35 176.47 1szr s PHE 383 N -0.76 2.36 0.63 0.29 0.40 -0.13 -0.89 117.98 119.89 1szr s PHE 383 Ca 0.12 -1.63 -0.08 0.00 -0.60 0.00 0.00 56.93 54.74 1szr s PHE 383 Cb -0.11 -1.59 0.01 0.00 0.51 0.00 0.00 43.02 41.84 1szr s PHE 383 CO 0.01 -0.75 0.98 -1.21 0.70 0.00 0.00 175.22 174.95 1szr s GLU 384 N 1.41 2.92 -1.11 0.44 2.02 -1.26 -1.15 118.70 121.97 1szr s GLU 384 Ca -0.03 0.19 -0.02 0.00 0.02 0.00 0.00 54.97 55.13 1szr s GLU 384 Cb -0.17 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.88 1szr s GLU 384 CO -0.07 -0.81 0.94 -0.25 0.02 0.00 0.00 175.26 175.08 1szr n ASP 385 N -2.74 -3.06 -1.39 -0.19 8.00 -1.17 -4.87 116.55 111.13 1szr n ASP 385 Ca 0.05 -0.53 -0.11 0.00 0.71 0.00 0.00 54.79 54.91 1szr n ASP 385 Cb 0.57 -4.61 0.12 0.00 -0.02 0.00 0.00 41.12 37.18 1szr n ASP 385 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1szr n MET 386 N -3.99 2.58 -0.00 -1.24 2.81 -0.70 -4.68 117.12 111.89 1szr n MET 386 Ca -0.19 -3.68 0.10 0.00 -1.81 0.00 0.00 57.70 52.13 1szr n MET 386 Cb 0.63 -1.97 -0.14 0.00 -0.71 0.00 0.00 33.22 31.02 1szr n MET 386 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1szr n GLY 387 N -0.93 -1.00 3.49 3.03 0.00 -0.94 -4.71 105.19 104.13 1szr n GLY 387 Ca 0.34 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1szr n GLY 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1szr s ALA 388 N -3.21 3.25 -1.45 4.61 0.00 -1.26 -4.52 121.76 119.18 1szr s ALA 388 Ca 0.02 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 50.81 1szr s ALA 388 Cb 0.15 -2.13 0.05 0.00 0.00 0.00 0.00 23.12 21.19 1szr s ALA 388 CO 0.89 -0.44 0.84 0.66 0.00 0.00 0.00 175.76 177.71 1szr n TYR 389 N 4.82 -2.11 0.01 0.00 4.02 -0.48 -4.89 117.16 118.52 1szr n TYR 389 Ca -0.16 0.87 -0.00 0.00 -0.01 0.00 0.00 57.90 58.60 1szr n TYR 389 Cb 0.52 -4.09 -0.00 0.00 -0.02 0.00 0.00 39.34 35.74 1szr n TYR 389 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1szr n THR 390 N -4.52 0.34 0.35 -0.72 -2.24 -1.26 -3.92 114.28 102.32 1szr n THR 390 Ca -0.10 0.17 0.04 0.00 -2.27 0.00 0.00 64.05 61.89 1szr n THR 390 Cb 0.59 -1.27 0.20 0.00 -2.10 0.00 0.00 70.33 67.75 1szr n THR 390 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1szr n VAL 391 N -2.82 1.11 -0.08 2.28 0.24 -1.26 -2.96 118.33 114.84 1szr n VAL 391 Ca -0.01 0.28 -0.06 0.00 -2.04 0.00 0.00 64.34 62.51 1szr n VAL 391 Cb 0.03 -1.13 -0.16 0.00 -1.47 0.00 0.00 33.84 31.11 1szr n VAL 391 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1szr n VAL 392 N -1.39 1.18 -0.26 3.34 0.24 -1.26 -4.39 118.33 115.78 1szr n VAL 392 Ca 0.03 -0.80 0.06 0.00 -2.04 0.00 0.00 64.34 61.60 1szr n VAL 392 Cb 0.08 -0.42 0.29 0.00 -1.47 0.00 0.00 33.84 32.33 1szr n VAL 392 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1szr n GLY 393 N 1.66 2.36 3.81 7.63 0.00 -1.16 -4.99 105.19 114.51 1szr n GLY 393 Ca -0.27 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 1szr n GLY 393 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1szr s THR 394 N -2.06 4.44 0.44 2.61 -4.23 -1.25 -4.87 115.64 110.72 1szr s THR 394 Ca 0.40 1.43 0.03 0.00 -1.18 0.00 0.00 61.69 62.38 1szr s THR 394 Cb 0.28 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.28 1szr s THR 394 CO 0.15 0.01 0.04 -0.94 -0.54 0.00 0.00 174.62 173.34 1szr s SER 395 N -1.86 3.55 -0.54 3.99 1.04 -0.58 -5.03 113.70 114.27 1szr s SER 395 Ca 0.51 -1.56 0.03 0.00 0.48 0.00 0.00 55.95 55.41 1szr s SER 395 Cb -0.14 0.23 0.41 0.00 0.10 0.00 0.00 66.02 66.62 1szr s SER 395 CO 0.20 -0.75 1.42 -1.54 0.98 0.00 0.00 173.24 173.55 1szr n SER 396 N -1.13 5.67 -4.74 7.02 3.41 -1.26 -4.51 113.62 118.07 1szr n SER 396 Ca -0.11 -3.76 -0.41 0.00 -0.26 0.00 0.00 58.87 54.33 1szr n SER 396 Cb 0.66 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 1szr n SER 396 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1szr s PHE 397 N -3.71 2.97 -0.07 7.33 5.36 -1.26 -1.78 117.98 126.82 1szr s PHE 397 Ca 0.50 0.92 0.00 0.00 -0.96 0.00 0.00 56.93 57.39 1szr s PHE 397 Cb 0.42 -3.88 0.00 0.00 -0.34 0.00 0.00 43.02 39.21 1szr s PHE 397 CO -0.21 -2.96 0.00 0.09 -1.46 0.00 0.00 175.22 170.68 1szr n ASN 398 N 2.54 -4.32 -0.20 6.13 5.03 -1.26 -3.18 115.26 119.99 1szr n ASN 398 Ca 0.08 0.02 -0.03 0.00 0.87 0.00 0.00 54.58 55.52 1szr n ASN 398 Cb 0.39 -1.88 -0.01 0.00 -1.02 0.00 0.00 39.78 37.26 1szr n ASN 398 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1szr n GLY 399 N -1.26 0.54 3.73 7.41 0.00 -0.73 -5.02 105.19 109.86 1szr n GLY 399 Ca -0.01 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1szr n GLY 399 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1szr s PHE 400 N -1.85 3.72 0.28 1.61 0.40 -1.19 -5.04 117.98 115.90 1szr s PHE 400 Ca 0.00 1.61 -0.16 0.00 -0.60 0.00 0.00 56.93 57.78 1szr s PHE 400 Cb 0.00 -2.97 -0.08 0.00 0.51 0.00 0.00 43.02 40.47 1szr s PHE 400 CO 0.00 0.16 0.71 -0.65 0.70 0.00 0.00 175.22 176.13 1szr s GLN 401 N 0.33 4.05 0.57 0.44 -1.52 -1.26 -4.45 119.66 117.82 1szr s GLN 401 Ca 0.45 0.68 -0.18 0.00 -1.95 0.00 0.00 55.36 54.35 1szr s GLN 401 Cb -0.21 -2.60 -0.04 0.00 -0.22 0.00 0.00 33.01 29.94 1szr s GLN 401 CO 0.26 0.25 1.11 -1.54 -0.25 0.00 0.00 175.29 175.12 1szr s SER 402 N -2.08 5.64 0.59 5.90 1.04 -1.26 -5.00 113.70 118.53 1szr s SER 402 Ca 0.50 2.07 -0.19 0.00 0.48 0.00 0.00 55.95 58.81 1szr s SER 402 Cb -0.12 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 1szr s SER 402 CO 0.19 -1.27 1.19 -2.16 0.98 0.00 0.00 173.24 172.17 1szr s PRO 403 N -3.56 3.01 0.40 4.02 0.04 -1.26 -5.02 135.00 132.63 1szr s PRO 403 Ca 0.70 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 63.29 1szr s PRO 403 Cb -0.21 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1szr s PRO 403 CO 0.31 -1.16 0.98 0.95 0.04 0.00 0.00 177.00 178.11 1szr s THR 404 N -1.65 4.15 -0.17 1.26 -4.23 -1.23 -4.78 115.64 108.99 1szr s THR 404 Ca 0.76 1.49 -0.07 0.00 -1.18 0.00 0.00 61.69 62.70 1szr s THR 404 Cb -0.29 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 69.81 1szr s THR 404 CO 0.32 -0.13 0.06 -0.63 -0.54 0.00 0.00 174.62 173.70 1szr s ILE 405 N -1.92 4.80 0.15 2.99 1.01 -1.26 -1.11 121.20 125.86 1szr s ILE 405 Ca 0.59 -0.04 0.10 0.00 0.00 0.00 0.00 60.65 61.30 1szr s ILE 405 Cb -0.15 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1szr s ILE 405 CO 0.19 0.49 -0.19 -0.31 0.00 0.00 0.00 174.94 175.12 1szr s TYR 406 N 0.12 2.48 -0.11 3.97 1.51 -0.84 -4.97 117.35 119.50 1szr s TYR 406 Ca 0.05 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.86 1szr s TYR 406 Cb -0.12 -1.28 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1szr s TYR 406 CO 0.01 0.43 -0.23 0.71 -1.11 0.00 0.00 175.55 175.35 1szr s TYR 407 N -1.35 2.56 -0.15 2.71 1.51 -1.18 -1.31 117.35 120.14 1szr s TYR 407 Ca 0.19 -1.11 -0.06 0.00 -1.01 0.00 0.00 57.07 55.08 1szr s TYR 407 Cb -0.10 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 1szr s TYR 407 CO 0.11 -0.47 0.07 0.54 -1.11 0.00 0.00 175.55 174.68 1szr s VAL 408 N 0.47 4.85 -0.74 0.71 0.11 -0.79 -2.03 120.40 122.98 1szr s VAL 408 Ca -0.16 -0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 58.85 1szr s VAL 408 Cb -0.17 -3.14 0.19 0.00 -1.53 0.00 0.00 36.38 31.72 1szr s VAL 408 CO 0.06 0.52 0.59 -0.69 -3.33 0.00 0.00 175.10 172.25 1szr s VAL 409 N -0.17 3.96 0.00 2.04 1.01 -1.26 -2.19 120.40 123.79 1szr s VAL 409 Ca 0.08 -3.41 0.00 0.00 0.00 0.00 0.00 61.98 58.65 1szr s VAL 409 Cb -0.12 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1szr s VAL 409 CO 0.01 -0.97 0.00 -0.24 0.00 0.00 0.00 175.10 173.90