#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1szr s ASP 38 N 0.00 5.58 0.46 1.61 1.11 -1.26 -4.51 116.67 119.66 1szr s ASP 38 Ca 0.00 1.92 -0.21 0.00 0.18 0.00 0.00 52.55 54.45 1szr s ASP 38 Cb 0.00 -2.55 -0.10 0.00 1.07 0.00 0.00 42.92 41.35 1szr s ASP 38 CO 0.00 -1.31 0.99 -2.16 1.18 0.00 0.00 175.17 173.88 1szr s PRO 39 N -3.95 4.02 0.03 8.23 0.04 -1.26 -4.82 135.00 137.30 1szr s PRO 39 Ca 0.66 1.24 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 1szr s PRO 39 Cb -0.18 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.23 1szr s PRO 39 CO 0.36 -0.23 0.29 -0.59 0.04 0.00 0.00 177.00 176.88 1szr s PHE 40 N -2.07 -0.10 -0.01 0.56 -0.12 -0.67 -3.62 117.98 111.95 1szr s PHE 40 Ca 0.64 -0.00 -0.05 0.00 -0.05 0.00 0.00 56.93 57.48 1szr s PHE 40 Cb -0.13 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 1szr s PHE 40 CO 0.17 -0.47 0.22 -0.06 -0.05 0.00 0.00 175.22 175.02 1szr s PHE 41 N -2.32 3.56 -0.24 3.49 0.40 -0.55 -0.68 117.98 121.64 1szr s PHE 41 Ca -0.07 0.46 -0.00 0.00 -0.60 0.00 0.00 56.93 56.72 1szr s PHE 41 Cb -0.02 -1.90 0.03 0.00 0.51 0.00 0.00 43.02 41.64 1szr s PHE 41 CO -0.02 0.63 -0.09 0.08 0.70 0.00 0.00 175.22 176.52 1szr s VAL 42 N -1.30 2.59 -0.39 -0.44 1.01 -0.48 -0.93 120.40 120.46 1szr s VAL 42 Ca 0.27 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 1szr s VAL 42 Cb -0.13 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.95 1szr s VAL 42 CO 0.17 0.18 0.23 0.00 0.00 0.00 0.00 175.10 175.68 1szr s ALA 43 N 1.26 3.31 -0.82 5.51 0.00 0.29 -1.93 121.76 129.37 1szr s ALA 43 Ca -0.01 -1.82 -0.24 0.00 0.00 0.00 0.00 51.96 49.88 1szr s ALA 43 Cb -0.17 -2.65 0.05 0.00 0.00 0.00 0.00 23.12 20.35 1szr s ALA 43 CO -0.06 -1.46 1.26 0.34 0.00 0.00 0.00 175.76 175.84 1szr s ASP 44 N 1.72 6.30 0.47 0.00 2.15 0.14 -1.39 116.67 126.06 1szr s ASP 44 Ca 0.02 -0.97 0.24 0.00 0.43 0.00 0.00 52.55 52.27 1szr s ASP 44 Cb -0.20 -2.52 1.15 0.00 -0.30 0.00 0.00 42.92 41.04 1szr s ASP 44 CO 0.06 -1.61 1.95 -0.07 -0.17 0.00 0.00 175.17 175.33 1szr h LEU 45 N 12.45 0.00 -1.62 -1.34 3.38 -1.83 -1.75 115.31 124.60 1szr h LEU 45 Ca -0.11 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1szr h LEU 45 Cb 1.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1szr h LEU 45 CO 1.29 0.20 0.31 1.23 0.09 0.00 0.00 178.44 181.56 1szr h GLY 46 N 1.32 0.57 1.56 0.83 0.00 -1.89 -2.05 103.07 103.40 1szr h GLY 46 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1szr h GLY 46 CO 0.03 0.17 0.16 -1.80 0.00 0.00 0.00 176.54 175.09 1szr h ASP 47 N 0.50 0.52 -0.55 0.19 3.58 -1.69 -2.24 116.42 116.72 1szr h ASP 47 Ca 0.19 -0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.51 1szr h ASP 47 Cb 0.14 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1szr h ASP 47 CO -0.05 0.48 0.04 0.40 -2.88 0.00 0.00 179.24 177.23 1szr h ILE 48 N 0.57 1.26 -0.39 2.25 2.04 -1.46 -2.38 117.51 119.40 1szr h ILE 48 Ca 0.14 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 64.96 1szr h ILE 48 Cb 0.12 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1szr h ILE 48 CO -0.01 0.38 0.23 0.58 0.00 0.00 0.00 178.15 179.32 1szr h VAL 49 N 0.83 1.04 -0.56 1.67 2.07 -1.28 -1.74 116.25 118.28 1szr h VAL 49 Ca 0.16 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1szr h VAL 49 Cb 0.49 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1szr h VAL 49 CO 0.02 0.09 0.17 0.03 0.02 0.00 0.00 177.57 177.90 1szr h ARG 50 N 0.47 0.83 -0.74 1.57 3.08 -1.32 -1.73 114.38 116.54 1szr h ARG 50 Ca 0.15 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1szr h ARG 50 Cb 0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1szr h ARG 50 CO -0.07 0.72 0.28 0.87 -1.07 0.00 0.00 179.97 180.70 1szr h LYS 51 N 0.81 1.11 -0.55 0.04 1.79 -1.05 -1.02 116.57 117.70 1szr h LYS 51 Ca 0.18 -0.21 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 1szr h LYS 51 Cb 0.24 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1szr h LYS 51 CO -0.01 0.92 0.06 1.25 -1.08 0.00 0.00 179.45 180.59 1szr h HIS 52 N 1.06 1.00 -0.49 -1.35 2.76 -0.84 -0.71 115.15 116.59 1szr h HIS 52 Ca 0.24 -0.15 -0.07 0.00 -2.20 0.00 0.00 60.37 58.19 1szr h HIS 52 Cb 0.24 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 1szr h HIS 52 CO 0.02 0.90 0.01 0.93 -1.30 0.00 0.00 177.93 178.48 1szr h GLU 53 N 0.82 0.81 -0.18 5.26 4.39 -1.09 -1.01 114.58 123.58 1szr h GLU 53 Ca 0.16 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 1szr h GLU 53 Cb 0.46 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1szr h GLU 53 CO 0.02 0.82 -0.34 1.15 -1.16 0.00 0.00 179.01 179.50 1szr h THR 54 N 0.76 1.28 0.31 1.13 2.02 -0.98 -2.69 112.91 114.75 1szr h THR 54 Ca 0.15 -1.39 -0.02 0.00 0.77 0.00 0.00 66.41 65.92 1szr h THR 54 Cb 0.45 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1szr h THR 54 CO 0.02 0.43 -0.15 -0.25 0.37 0.00 0.00 175.52 175.94 1szr h TRP 55 N 0.31 -0.39 -1.01 3.16 2.91 -0.49 -2.07 115.95 118.38 1szr h TRP 55 Ca 0.04 -0.01 0.22 0.00 1.13 0.00 0.00 58.89 60.27 1szr h TRP 55 Cb 0.75 0.13 -0.11 0.00 -0.51 0.00 0.00 29.16 29.41 1szr h TRP 55 CO 0.02 -0.04 0.61 0.87 -1.03 0.00 0.00 178.44 178.87 1szr h LYS 56 N -0.83 0.63 0.03 2.65 1.57 -1.24 0.11 116.57 119.48 1szr h LYS 56 Ca -0.04 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1szr h LYS 56 Cb 0.52 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1szr h LYS 56 CO 0.07 0.41 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.13 1szr h LYS 57 N 0.65 -0.03 0.00 3.15 3.64 -1.45 -3.03 116.57 119.49 1szr h LYS 57 Ca 0.61 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.79 1szr h LYS 57 Cb 1.10 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1szr h LYS 57 CO -0.41 0.39 -1.02 0.00 -2.27 0.00 0.00 179.45 176.14 1szr n LEU 59 N -3.27 1.40 0.24 0.00 4.77 0.32 -4.78 117.00 115.68 1szr n LEU 59 Ca -0.02 -5.04 0.09 0.00 -0.03 0.00 0.00 56.01 51.02 1szr n LEU 59 Cb 0.92 0.38 0.63 0.00 -2.33 0.00 0.00 43.42 43.01 1szr n LEU 59 CO 0.46 2.20 0.93 1.55 -1.33 0.00 0.00 177.39 181.20 1szr h PRO 60 N 3.47 0.00 -0.00 3.23 0.13 -1.69 -2.62 132.00 134.51 1szr h PRO 60 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1szr h PRO 60 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1szr h PRO 60 CO 0.56 0.16 -0.00 0.54 -0.23 0.00 0.00 178.00 179.03 1szr n ARG 61 N -3.92 0.22 -3.86 0.86 1.74 -1.26 -4.82 116.66 105.62 1szr n ARG 61 Ca -0.02 -0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.70 1szr n ARG 61 Cb 0.25 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.78 3.50 -0.27 1.55 1.01 -0.99 -4.19 120.40 118.24 1szr s VAL 62 Ca 0.22 -0.67 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 1szr s VAL 62 Cb 0.20 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.87 1szr s VAL 62 CO 0.50 0.25 0.94 -0.89 0.00 0.00 0.00 175.10 175.90 1szr s THR 63 N 1.46 4.71 0.11 3.92 2.01 -0.59 -4.86 115.64 122.39 1szr s THR 63 Ca 0.03 1.68 -0.30 0.00 0.31 0.00 0.00 61.69 63.41 1szr s THR 63 Cb -0.16 -4.25 -0.06 0.00 0.01 0.00 0.00 72.50 68.04 1szr s THR 63 CO -0.01 -0.23 1.13 -2.16 -0.69 0.00 0.00 174.62 172.66 1szr s PRO 64 N 3.16 4.52 -0.37 4.92 0.04 -1.26 -1.69 135.00 144.32 1szr s PRO 64 Ca 0.40 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 1szr s PRO 64 Cb -0.14 -3.33 0.09 0.00 0.04 0.00 0.00 34.50 31.16 1szr s PRO 64 CO 0.10 -0.09 0.12 -0.06 0.04 0.00 0.00 177.00 177.11 1szr s PHE 65 N 0.48 3.55 0.16 0.56 0.40 0.78 -0.86 117.98 123.04 1szr s PHE 65 Ca 0.54 -2.42 -0.31 0.00 -0.60 0.00 0.00 56.93 54.14 1szr s PHE 65 Cb -0.28 -2.88 -0.11 0.00 0.51 0.00 0.00 43.02 40.26 1szr s PHE 65 CO 0.32 -0.93 1.77 -0.47 0.70 0.00 0.00 175.22 176.61 1szr s TYR 66 N 1.11 2.52 -0.69 0.36 5.04 -0.56 -3.66 117.35 121.47 1szr s TYR 66 Ca 0.05 0.17 -0.27 0.00 -2.44 0.00 0.00 57.07 54.58 1szr s TYR 66 Cb -0.21 -4.15 0.02 0.00 0.35 0.00 0.00 41.96 37.97 1szr s TYR 66 CO -0.04 -4.55 1.43 0.00 -1.34 0.00 0.00 175.55 171.05 1szr s ALA 67 N 1.99 2.62 0.40 3.97 0.00 -0.70 0.02 121.76 130.06 1szr s ALA 67 Ca 0.78 -1.13 0.28 0.00 0.00 0.00 0.00 51.96 51.89 1szr s ALA 67 Cb -0.47 -4.25 1.45 0.00 0.00 0.00 0.00 23.12 19.84 1szr s ALA 67 CO 0.34 -3.40 2.07 -0.39 0.00 0.00 0.00 175.76 174.38 1szr h VAL 68 N 6.27 0.55 -0.46 0.00 -1.51 -1.80 -2.42 116.25 116.88 1szr h VAL 68 Ca -0.27 -0.53 0.13 0.00 -1.23 0.00 0.00 66.70 64.80 1szr h VAL 68 Cb 1.08 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 1szr h VAL 68 CO 1.25 0.11 0.42 0.07 -1.23 0.00 0.00 177.57 178.19 1szr h LYS 69 N 0.00 0.00 -0.48 5.19 2.10 -1.90 -2.42 116.57 119.06 1szr h LYS 69 Ca -0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 1szr h LYS 69 Cb 0.34 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.66 1szr h LYS 69 CO 0.02 0.00 -0.09 0.00 -2.00 0.00 0.00 179.45 177.38 1szr s ASN 71 N -6.50 -0.76 -0.11 0.00 3.04 -0.92 -1.30 114.94 108.39 1szr s ASN 71 Ca -0.12 0.45 0.16 0.00 0.04 0.00 0.00 52.86 53.39 1szr s ASN 71 Cb 0.12 1.63 0.58 0.00 -1.54 0.00 0.00 41.25 42.04 1szr s ASN 71 CO 0.84 -0.14 1.50 -0.90 -3.04 0.00 0.00 177.10 175.35 1szr n ASP 72 N 5.45 4.15 -4.59 -4.21 3.85 -1.18 -4.82 116.55 115.21 1szr n ASP 72 Ca -0.04 -2.50 -0.48 0.00 -0.71 0.00 0.00 54.79 51.06 1szr n ASP 72 Cb 0.53 -0.49 -0.04 0.00 -1.35 0.00 0.00 41.12 39.77 1szr n ASP 72 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1szr n ASP 73 N 0.55 1.48 -0.35 -1.12 -0.08 -1.26 -4.79 116.55 110.98 1szr n ASP 73 Ca 0.21 1.15 -0.01 0.00 -1.51 0.00 0.00 54.79 54.63 1szr n ASP 73 Cb 0.79 -1.24 0.12 0.00 2.34 0.00 0.00 41.12 43.13 1szr n ASP 73 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1szr h TRP 74 N 3.32 1.18 -0.04 -0.67 6.55 -1.99 -1.50 115.95 122.80 1szr h TRP 74 Ca -0.43 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.34 1szr h TRP 74 Cb 1.34 -0.39 -0.01 0.00 -0.86 0.00 0.00 29.16 29.23 1szr h TRP 74 CO 0.54 0.69 -0.46 0.00 -1.05 0.00 0.00 178.44 178.16 1szr h ARG 75 N 1.23 0.08 -0.30 0.49 -0.00 -1.99 -0.35 114.38 113.55 1szr h ARG 75 Ca 0.37 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.98 59.76 1szr h ARG 75 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.92 1szr h ARG 75 CO -0.11 0.53 0.00 0.28 0.00 0.00 0.00 179.97 180.68 1szr h VAL 76 N 0.07 1.26 -0.40 2.04 2.07 -1.71 -1.95 116.25 117.62 1szr h VAL 76 Ca 0.00 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 1szr h VAL 76 Cb 0.85 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1szr h VAL 76 CO 0.06 0.30 -0.13 -0.07 0.02 0.00 0.00 177.57 177.75 1szr h LEU 77 N 0.32 0.81 -0.98 2.57 3.38 -1.09 -1.86 115.31 118.45 1szr h LEU 77 Ca 0.08 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1szr h LEU 77 Cb 0.43 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1szr h LEU 77 CO 0.01 1.00 0.12 1.23 0.09 0.00 0.00 178.44 180.90 1szr h GLY 78 N 0.60 0.93 0.78 0.83 0.00 -1.10 -0.66 103.07 104.46 1szr h GLY 78 Ca 0.10 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1szr h GLY 78 CO 0.05 0.51 -0.03 -0.84 0.00 0.00 0.00 176.54 176.23 1szr h THR 79 N 0.83 1.08 -0.75 4.70 2.02 -1.18 -1.84 112.91 117.77 1szr h THR 79 Ca 0.18 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1szr h THR 79 Cb 0.32 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1szr h THR 79 CO 0.00 0.12 0.24 -0.07 0.37 0.00 0.00 175.52 176.19 1szr h LEU 80 N -0.31 1.09 -0.64 2.58 3.38 -1.20 -1.86 115.31 118.35 1szr h LEU 80 Ca -0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1szr h LEU 80 Cb 0.27 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1szr h LEU 80 CO 0.01 1.00 0.29 0.00 0.09 0.00 0.00 178.44 179.84 1szr h ALA 81 N 1.14 0.82 0.00 1.53 0.00 -1.05 -2.33 119.26 119.38 1szr h ALA 81 Ca 0.24 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1szr h ALA 81 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1szr h ALA 81 CO -0.01 0.40 -0.33 0.00 0.00 0.00 0.00 179.25 179.31 1szr h ALA 82 N 1.13 1.38 0.00 0.00 0.00 -0.99 -2.13 119.26 118.65 1szr h ALA 82 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1szr h ALA 82 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1szr h ALA 82 CO -0.03 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.92 1szr n LEU 83 N -4.04 0.55 0.00 0.00 4.77 -0.73 -4.85 117.00 112.71 1szr n LEU 83 Ca -0.02 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1szr n LEU 83 Cb 0.38 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1szr n LEU 83 CO 0.38 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1szr n GLY 84 N 0.76 1.29 3.85 -0.72 0.00 -0.80 -5.09 105.19 104.48 1szr n GLY 84 Ca 0.04 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1szr n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1szr s THR 85 N -2.00 4.80 0.65 2.61 2.01 -0.98 -4.98 115.64 117.75 1szr s THR 85 Ca 0.00 0.77 -0.11 0.00 0.31 0.00 0.00 61.69 62.66 1szr s THR 85 Cb 0.00 -3.66 0.15 0.00 0.01 0.00 0.00 72.50 69.00 1szr s THR 85 CO 0.00 -0.02 0.76 0.61 -0.69 0.00 0.00 174.62 175.28 1szr n GLY 86 N 0.05 -1.82 2.92 4.40 0.00 -0.04 -4.66 105.19 106.04 1szr n GLY 86 Ca 0.00 -1.62 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.57 -0.24 -0.48 1.61 0.40 0.53 -1.50 117.98 115.74 1szr s PHE 87 Ca 0.45 0.66 -0.20 0.00 -0.60 0.00 0.00 56.93 57.24 1szr s PHE 87 Cb -0.02 -0.14 0.04 0.00 0.51 0.00 0.00 43.02 43.41 1szr s PHE 87 CO 0.32 -0.25 0.66 0.34 0.70 0.00 0.00 175.22 176.99 1szr s ASP 88 N 1.89 6.28 -0.00 1.36 2.15 0.10 -1.27 116.67 127.19 1szr s ASP 88 Ca -0.02 -0.60 -0.01 0.00 0.43 0.00 0.00 52.55 52.36 1szr s ASP 88 Cb -0.12 -2.31 -0.04 0.00 -0.30 0.00 0.00 42.92 40.15 1szr s ASP 88 CO -0.07 -0.86 0.10 0.00 -0.17 0.00 0.00 175.17 174.16 1szr n ALA 90 N 1.11 2.45 -3.40 0.00 0.00 -1.26 -2.25 120.51 117.17 1szr n ALA 90 Ca -0.12 -0.58 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 1szr n ALA 90 Cb 0.53 -0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.35 -0.15 0.26 0.00 1.04 -1.26 -4.78 113.70 108.46 1szr s SER 91 Ca 0.04 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 55.60 1szr s SER 91 Cb 0.03 0.63 0.30 0.00 0.10 0.00 0.00 66.02 67.08 1szr s SER 91 CO 0.04 -1.21 1.92 -0.55 0.98 0.00 0.00 173.24 174.43 1szr h ASN 92 N 2.17 1.09 0.25 7.02 -1.07 -1.97 -2.39 115.58 120.68 1szr h ASN 92 Ca -0.24 -0.04 -0.14 0.00 0.07 0.00 0.00 56.30 55.94 1szr h ASN 92 Cb 1.25 -0.27 -0.01 0.00 -2.07 0.00 0.00 38.32 37.22 1szr h ASN 92 CO 0.31 0.81 -0.56 0.71 0.07 0.00 0.00 177.43 178.78 1szr h THR 93 N 1.27 1.36 -0.19 6.14 1.35 -1.98 -0.57 112.91 120.29 1szr h THR 93 Ca 0.34 -1.85 -0.15 0.00 -0.55 0.00 0.00 66.41 64.20 1szr h THR 93 Cb -0.11 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1szr h THR 93 CO -0.07 0.56 -0.50 -0.33 -0.25 0.00 0.00 175.52 174.93 1szr h GLU 94 N 0.25 0.51 -0.36 4.72 5.08 -1.94 -0.71 114.58 122.13 1szr h GLU 94 Ca 0.00 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1szr h GLU 94 Cb 1.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1szr h GLU 94 CO 0.09 0.89 -0.01 0.82 -1.00 0.00 0.00 179.01 179.80 1szr h ILE 95 N 0.40 1.26 -0.95 3.13 2.04 -1.17 -2.55 117.51 119.68 1szr h ILE 95 Ca 0.02 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1szr h ILE 95 Cb 1.02 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.25 1szr h ILE 95 CO 0.09 0.33 0.63 -0.61 0.00 0.00 0.00 178.15 178.59 1szr h GLN 96 N 0.44 1.25 -0.18 2.37 4.15 -0.97 -1.23 115.11 120.95 1szr h GLN 96 Ca 0.10 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1szr h GLN 96 Cb 0.47 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1szr h GLN 96 CO 0.02 0.83 0.06 -0.09 -1.93 0.00 0.00 178.83 177.71 1szr h ARG 97 N 1.29 0.27 0.11 1.69 2.43 -0.97 -2.07 114.38 117.13 1szr h ARG 97 Ca 0.35 -0.06 -0.27 0.00 -0.81 0.00 0.00 59.98 59.19 1szr h ARG 97 Cb -0.15 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1szr h ARG 97 CO -0.07 0.38 -1.19 -0.39 -1.51 0.00 0.00 179.97 177.19 1szr h VAL 98 N 0.11 1.45 -0.25 0.20 -1.51 -1.29 -3.09 116.25 111.87 1szr h VAL 98 Ca 0.06 -2.86 -0.02 0.00 -1.23 0.00 0.00 66.70 62.65 1szr h VAL 98 Cb 0.22 2.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.18 1szr h VAL 98 CO -0.00 0.84 0.07 0.03 -1.23 0.00 0.00 177.57 177.28 1szr h ARG 99 N 0.12 0.36 0.00 5.19 2.47 -1.28 -2.78 114.38 118.47 1szr h ARG 99 Ca -0.13 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1szr h ARG 99 Cb 1.89 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 30.14 1szr h ARG 99 CO 0.20 0.33 0.00 0.78 0.56 0.00 0.00 179.97 181.84 1szr h GLY 100 N 0.55 0.00 -3.10 0.04 0.00 -1.29 -2.37 103.07 96.90 1szr h GLY 100 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1szr h GLY 100 CO -0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 1szr n ILE 101 N -2.35 1.77 -0.19 2.60 -5.35 -1.10 -4.96 119.36 109.78 1szr n ILE 101 Ca 0.04 -1.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.34 1szr n ILE 101 Cb 0.35 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 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 1.23 0.60 3.69 3.28 0.00 -0.89 -5.05 105.19 108.05 1szr n GLY 102 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.39 3.39 0.53 1.61 1.01 -1.07 -5.00 120.40 118.49 1szr s VAL 103 Ca 0.00 0.84 -0.18 0.00 0.00 0.00 0.00 61.98 62.64 1szr s VAL 103 Cb 0.00 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 1szr s VAL 103 CO 0.00 0.01 1.03 -2.16 0.00 0.00 0.00 175.10 173.98 1szr s PRO 104 N 2.32 3.65 0.53 2.72 0.04 -1.26 -4.32 135.00 138.67 1szr s PRO 104 Ca 0.68 1.23 0.23 0.00 0.04 0.00 0.00 61.00 63.19 1szr s PRO 104 Cb -0.35 -2.08 1.38 0.00 0.04 0.00 0.00 34.50 33.48 1szr s PRO 104 CO 0.29 -0.54 2.03 -1.00 0.04 0.00 0.00 177.00 177.81 1szr h PRO 105 N 1.04 0.00 0.00 0.56 0.13 -1.86 -1.30 132.00 130.57 1szr h PRO 105 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1szr h PRO 105 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1szr h PRO 105 CO 0.59 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.51 1szr n GLU 106 N -4.40 0.14 -0.45 0.86 0.00 -1.26 -1.69 120.64 113.84 1szr n GLU 106 Ca 0.07 0.27 0.06 0.00 0.00 0.00 0.00 57.16 57.56 1szr n GLU 106 Cb 0.50 -1.72 0.25 0.00 0.00 0.00 0.00 31.44 30.47 1szr n GLU 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1szr n LYS 107 N -1.97 2.99 -4.76 3.44 5.02 -0.49 -4.87 118.16 117.52 1szr n LYS 107 Ca 0.04 -1.98 -0.27 0.00 -2.02 0.00 0.00 58.31 54.08 1szr n LYS 107 Cb 0.28 -1.75 -0.17 0.00 -0.02 0.00 0.00 35.03 33.38 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 -1.82 1.40 -0.12 -0.18 1.01 -0.68 -0.35 121.20 120.46 1szr s ILE 108 Ca 0.35 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1szr s ILE 108 Cb 0.23 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 1szr s ILE 108 CO 0.16 0.41 -0.17 -0.51 0.00 0.00 0.00 174.94 174.83 1szr s ILE 109 N 0.58 2.69 -1.13 2.92 2.07 -0.39 -4.58 121.20 123.36 1szr s ILE 109 Ca -0.16 -0.79 -0.14 0.00 -1.41 0.00 0.00 60.65 58.16 1szr s ILE 109 Cb -0.16 -2.10 0.19 0.00 0.13 0.00 0.00 42.46 40.51 1szr s ILE 109 CO 0.05 0.54 1.30 -0.47 -1.91 0.00 0.00 174.94 174.45 1szr s TYR 110 N 0.36 3.60 -0.69 3.50 6.14 -0.31 -1.16 117.35 128.78 1szr s TYR 110 Ca -0.14 -2.12 -0.02 0.00 0.64 0.00 0.00 57.07 55.43 1szr s TYR 110 Cb -0.17 -4.20 0.27 0.00 0.42 0.00 0.00 41.96 38.28 1szr s TYR 110 CO 0.07 -1.31 2.24 0.00 0.64 0.00 0.00 175.55 177.19 1szr n ALA 111 N 5.18 6.42 -3.13 3.97 0.00 -0.95 -2.46 120.51 129.54 1szr n ALA 111 Ca 0.32 -3.63 -0.37 0.00 0.00 0.00 0.00 53.44 49.76 1szr n ALA 111 Cb 0.43 -1.99 -0.12 0.00 0.00 0.00 0.00 19.45 17.77 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 -0.69 5.18 0.46 0.00 3.04 -1.26 -4.90 114.94 116.77 1szr s ASN 112 Ca 0.54 -0.66 0.24 0.00 0.04 0.00 0.00 52.86 53.02 1szr s ASN 112 Cb 0.42 -1.90 1.10 0.00 -1.54 0.00 0.00 41.25 39.34 1szr s ASN 112 CO -0.30 -0.19 1.92 -0.65 -3.04 0.00 0.00 177.10 174.85 1szr h PRO 113 N 8.25 0.00 -3.94 0.43 0.11 -1.88 -3.41 132.00 131.57 1szr h PRO 113 Ca -0.32 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.18 1szr h PRO 113 Cb 1.13 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.84 1szr h PRO 113 CO 0.60 0.21 -0.74 0.00 -0.21 0.00 0.00 178.00 177.87 1szr s LYS 115 N 1.15 3.29 0.28 0.00 1.02 -1.26 -5.09 119.74 119.13 1szr s LYS 115 Ca 0.11 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.12 1szr s LYS 115 Cb -0.19 -2.60 -0.13 0.00 -0.52 0.00 0.00 37.83 34.39 1szr s LYS 115 CO -0.15 0.26 1.34 0.94 -0.92 0.00 0.00 175.35 176.81 1szr n GLN 116 N 3.39 2.02 -0.30 1.68 7.27 -1.26 -4.83 117.38 125.35 1szr n GLN 116 Ca -0.18 0.71 0.02 0.00 0.07 0.00 0.00 57.00 57.63 1szr n GLN 116 Cb 0.53 -2.32 0.22 0.00 2.41 0.00 0.00 30.24 31.07 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 2.79 1.12 -0.03 1.69 2.04 -1.99 -0.96 117.51 122.17 1szr h ILE 117 Ca -0.45 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 64.93 1szr h ILE 117 Cb 1.28 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1szr h ILE 117 CO 0.70 0.20 -0.49 0.77 0.00 0.00 0.00 178.15 179.33 1szr h SER 118 N 1.09 0.08 -0.25 1.72 4.64 -1.99 -1.75 113.55 117.09 1szr h SER 118 Ca 0.37 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.52 1szr h SER 118 Cb 0.08 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1szr h SER 118 CO -0.12 0.56 -0.32 0.45 -0.87 0.00 0.00 176.83 176.52 1szr h HIS 119 N 0.06 0.90 -0.80 4.77 3.86 -1.57 -1.22 115.15 121.14 1szr h HIS 119 Ca -0.00 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 58.94 1szr h HIS 119 Cb 0.89 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.12 1szr h HIS 119 CO 0.00 0.99 0.39 0.82 0.86 0.00 0.00 177.93 180.99 1szr h ILE 120 N 0.65 1.25 -0.56 2.45 2.04 -1.00 -1.22 117.51 121.12 1szr h ILE 120 Ca 0.07 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1szr h ILE 120 Cb 0.86 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1szr h ILE 120 CO 0.08 0.30 0.25 -0.09 0.00 0.00 0.00 178.15 178.68 1szr h ARG 121 N 1.14 0.82 -0.68 2.37 2.43 -1.10 -1.71 114.38 117.64 1szr h ARG 121 Ca 0.28 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1szr h ARG 121 Cb 0.11 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1szr h ARG 121 CO -0.04 0.69 0.22 -0.92 -1.51 0.00 0.00 179.97 178.41 1szr h TYR 122 N 0.76 1.07 -0.21 2.20 3.20 -0.85 -2.26 116.97 120.87 1szr h TYR 122 Ca 0.19 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1szr h TYR 122 Cb 0.16 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1szr h TYR 122 CO 0.00 0.85 0.04 0.00 -1.64 0.00 0.00 178.16 177.41 1szr h ALA 123 N 1.23 0.28 -0.71 1.82 0.00 -0.84 -2.03 119.26 119.00 1szr h ALA 123 Ca 0.22 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1szr h ALA 123 Cb 0.27 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1szr h ALA 123 CO -0.01 -0.06 0.40 -0.09 0.00 0.00 0.00 179.25 179.49 1szr h ARG 124 N 0.16 0.71 0.00 0.00 2.43 -1.23 0.21 114.38 116.65 1szr h ARG 124 Ca 0.07 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1szr h ARG 124 Cb 0.29 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1szr h ARG 124 CO 0.00 0.47 0.00 -0.44 -1.51 0.00 0.00 179.97 178.49 1szr h ASP 125 N 0.73 0.00 -0.01 -3.80 3.32 -1.31 -2.71 116.42 112.64 1szr h ASP 125 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1szr h ASP 125 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1szr h ASP 125 CO -0.19 0.00 -0.01 -1.20 -1.72 0.00 0.00 179.24 176.12 1szr n SER 126 N -2.57 1.98 0.00 6.45 7.64 -0.77 -4.96 113.62 121.39 1szr n SER 126 Ca 0.03 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1szr n SER 126 Cb 0.37 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1szr n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1szr n GLY 127 N 1.24 0.70 3.61 0.23 0.00 -0.93 -4.70 105.19 105.34 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 -2.77 4.26 -0.13 1.61 1.01 0.00 -4.66 120.40 119.72 1szr s VAL 128 Ca 0.00 1.32 0.13 0.00 0.00 0.00 0.00 61.98 63.43 1szr s VAL 128 Cb 0.00 -4.55 -0.18 0.00 0.00 0.00 0.00 36.38 31.64 1szr s VAL 128 CO 0.00 -0.89 0.08 0.47 0.00 0.00 0.00 175.10 174.76 1szr n ASP 129 N 7.67 1.43 -4.66 3.32 8.00 -1.26 -3.97 116.55 127.08 1szr n ASP 129 Ca 0.12 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 1szr n ASP 129 Cb 0.49 0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 42.50 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 -2.42 4.78 0.07 2.53 1.01 -1.26 -1.16 120.40 123.95 1szr s VAL 130 Ca -0.07 1.83 0.01 0.00 0.00 0.00 0.00 61.98 63.75 1szr s VAL 130 Cb 0.05 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1szr s VAL 130 CO 0.60 -0.09 -0.06 -0.04 0.00 0.00 0.00 175.10 175.51 1szr s MET 131 N 2.75 0.71 0.40 2.72 -1.94 -0.70 -1.17 119.30 122.07 1szr s MET 131 Ca 0.41 -1.17 0.04 0.00 -1.71 0.00 0.00 55.69 53.26 1szr s MET 131 Cb -0.16 -0.12 -0.00 0.00 2.01 0.00 0.00 34.83 36.56 1szr s MET 131 CO 0.09 -0.03 0.57 0.95 -0.01 0.00 0.00 175.02 176.60 1szr s THR 132 N -3.17 3.77 0.06 2.05 -4.23 -1.03 -0.47 115.64 112.62 1szr s THR 132 Ca 0.05 -0.82 -0.26 0.00 -1.18 0.00 0.00 61.69 59.48 1szr s THR 132 Cb 0.02 -3.34 0.08 0.00 1.34 0.00 0.00 72.50 70.61 1szr s THR 132 CO -0.05 -0.17 0.70 0.72 -0.54 0.00 0.00 174.62 175.28 1szr s PHE 133 N -2.37 -0.52 0.00 3.99 -0.12 -0.59 -4.46 117.98 113.92 1szr s PHE 133 Ca 0.48 0.51 0.00 0.00 -0.05 0.00 0.00 56.93 57.87 1szr s PHE 133 Cb -0.10 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 42.81 1szr s PHE 133 CO 0.34 -0.70 0.32 -0.40 -0.05 0.00 0.00 175.22 174.73 1szr n ASP 134 N 0.01 0.24 -3.92 1.98 3.85 -1.26 -0.45 116.55 117.01 1szr n ASP 134 Ca -0.15 -1.08 -0.09 0.00 -0.71 0.00 0.00 54.79 52.76 1szr n ASP 134 Cb 0.62 0.00 -0.05 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 2.30 1.30 -0.47 0.00 2.07 -1.98 -3.14 116.25 116.32 1szr h VAL 136 Ca -0.28 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 65.74 1szr h VAL 136 Cb 1.25 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1szr h VAL 136 CO 0.39 0.47 0.30 0.44 0.02 0.00 0.00 177.57 179.18 1szr h ASP 137 N 0.40 0.55 -0.64 0.57 3.32 -2.00 -1.54 116.42 117.08 1szr h ASP 137 Ca 0.04 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1szr h ASP 137 Cb 0.83 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 1szr h ASP 137 CO 0.07 0.41 0.16 -0.08 -1.72 0.00 0.00 179.24 178.08 1szr h GLU 138 N 0.64 1.01 -0.11 3.56 4.57 -1.90 -2.59 114.58 119.76 1szr h GLU 138 Ca 0.17 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1szr h GLU 138 Cb -0.05 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 1szr h GLU 138 CO -0.03 0.91 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.63 1szr h LEU 139 N 0.94 0.14 -0.59 1.64 3.38 -1.35 -1.91 115.31 117.55 1szr h LEU 139 Ca 0.20 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1szr h LEU 139 Cb 0.35 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1szr h LEU 139 CO 0.00 0.18 0.02 -0.33 0.09 0.00 0.00 178.44 178.40 1szr h GLU 140 N 0.16 1.02 -0.40 1.13 5.08 -1.05 -0.03 114.58 120.49 1szr h GLU 140 Ca 0.04 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1szr h GLU 140 Cb 0.12 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1szr h GLU 140 CO 0.00 1.00 0.25 0.87 -1.00 0.00 0.00 179.01 180.13 1szr h LYS 141 N 0.92 0.53 -0.45 2.33 1.57 -1.30 -2.99 116.57 117.17 1szr h LYS 141 Ca 0.17 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1szr h LYS 141 Cb 0.53 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1szr h LYS 141 CO 0.03 0.38 -0.08 0.28 -0.57 0.00 0.00 179.45 179.48 1szr h VAL 142 N 0.53 1.26 -0.87 0.50 2.07 -1.05 -1.76 116.25 116.93 1szr h VAL 142 Ca 0.14 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1szr h VAL 142 Cb -0.02 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1szr h VAL 142 CO -0.03 0.39 0.43 0.00 0.02 0.00 0.00 177.57 178.39 1szr h ALA 143 N 1.17 1.13 0.00 1.67 0.00 -0.98 0.12 119.26 122.37 1szr h ALA 143 Ca 0.13 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1szr h ALA 143 Cb 0.56 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1szr h ALA 143 CO 0.03 0.67 -0.69 0.87 0.00 0.00 0.00 179.25 180.13 1szr h LYS 144 N 1.23 0.00 0.00 0.00 1.57 -1.35 -3.37 116.57 114.65 1szr h LYS 144 Ca 0.30 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.93 1szr h LYS 144 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1szr h LYS 144 CO -0.04 0.69 -1.55 2.41 -0.57 0.00 0.00 179.45 180.39 1szr n THR 145 N -3.38 0.55 -3.19 -0.16 -1.04 -0.68 -4.87 114.28 101.51 1szr n THR 145 Ca 0.01 -0.19 -0.21 0.00 -2.04 0.00 0.00 64.05 61.62 1szr n THR 145 Cb 0.77 -1.05 -0.05 0.00 -1.82 0.00 0.00 70.33 68.18 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 -2.96 0.22 0.31 -1.42 -0.00 0.36 -4.87 115.22 106.84 1szr n HIS 146 Ca -0.18 -3.74 0.18 0.00 -0.00 0.00 0.00 57.72 53.99 1szr n HIS 146 Cb 0.67 -0.40 0.99 0.00 -0.00 0.00 0.00 29.99 31.25 1szr n HIS 146 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1szr h PRO 147 N 3.40 0.00 -0.73 1.57 0.13 -1.58 -2.24 132.00 132.55 1szr h PRO 147 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1szr h PRO 147 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1szr h PRO 147 CO 0.51 0.02 0.00 1.63 -0.23 0.00 0.00 178.00 179.93 1szr n LYS 148 N -3.39 2.92 -2.11 0.86 5.02 -1.26 -4.62 118.16 115.58 1szr n LYS 148 Ca -0.02 -2.71 -0.37 0.00 -2.02 0.00 0.00 58.31 53.18 1szr n LYS 148 Cb 0.13 -1.64 0.01 0.00 -0.02 0.00 0.00 35.03 33.51 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 -1.17 2.82 -0.41 7.82 0.00 -0.84 -4.94 121.76 125.03 1szr s ALA 149 Ca 0.50 1.02 -0.22 0.00 0.00 0.00 0.00 51.96 53.26 1szr s ALA 149 Cb 0.27 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.98 1szr s ALA 149 CO 0.32 -0.92 0.70 0.15 0.00 0.00 0.00 175.76 176.01 1szr s LYS 150 N -2.95 3.48 -0.17 0.00 3.01 -0.31 -4.13 119.74 118.68 1szr s LYS 150 Ca 0.69 -0.10 -0.08 0.00 -1.01 0.00 0.00 55.97 55.47 1szr s LYS 150 Cb -0.31 -3.89 -0.04 0.00 -1.01 0.00 0.00 37.83 32.58 1szr s LYS 150 CO 0.36 -0.94 0.10 -1.64 0.51 0.00 0.00 175.35 173.73 1szr s MET 151 N 2.95 3.89 -0.22 1.68 -1.94 -0.51 -1.72 119.30 123.43 1szr s MET 151 Ca 0.26 -0.26 -0.04 0.00 -1.71 0.00 0.00 55.69 53.94 1szr s MET 151 Cb -0.14 -3.26 -0.01 0.00 2.01 0.00 0.00 34.83 33.44 1szr s MET 151 CO 0.19 0.41 -0.05 0.08 -0.01 0.00 0.00 175.02 175.64 1szr s VAL 152 N 0.02 3.36 -0.31 -6.03 1.01 0.39 -0.81 120.40 118.03 1szr s VAL 152 Ca 0.08 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1szr s VAL 152 Cb -0.12 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.75 1szr s VAL 152 CO 0.00 0.43 1.08 -0.22 0.00 0.00 0.00 175.10 176.39 1szr s LEU 153 N 1.44 3.94 -0.22 3.92 2.96 -0.41 -1.54 118.68 128.77 1szr s LEU 153 Ca 0.05 1.08 -0.22 0.00 -0.22 0.00 0.00 54.13 54.83 1szr s LEU 153 Cb -0.14 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1szr s LEU 153 CO -0.03 -0.87 0.69 -0.60 -1.32 0.00 0.00 176.35 174.21 1szr s ARG 154 N 3.64 4.19 0.13 1.98 3.52 0.41 -0.40 118.95 132.41 1szr s ARG 154 Ca 0.46 0.70 0.04 0.00 -0.13 0.00 0.00 55.73 56.80 1szr s ARG 154 Cb -0.13 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 1szr s ARG 154 CO 0.15 -0.35 0.11 0.96 -0.81 0.00 0.00 175.30 175.36 1szr s ILE 155 N 2.28 4.50 0.41 4.11 -4.36 0.17 -1.50 121.20 126.80 1szr s ILE 155 Ca 0.30 -0.94 -0.23 0.00 -0.26 0.00 0.00 60.65 59.53 1szr s ILE 155 Cb -0.16 -3.24 -0.10 0.00 1.25 0.00 0.00 42.46 40.22 1szr s ILE 155 CO 0.09 -0.00 1.00 -0.55 0.24 0.00 0.00 174.94 175.72 1szr s SER 156 N -2.77 6.85 -0.18 4.36 0.15 -0.61 -4.45 113.70 117.04 1szr s SER 156 Ca 0.30 1.88 0.12 0.00 0.70 0.00 0.00 55.95 58.95 1szr s SER 156 Cb -0.11 -2.57 -0.23 0.00 -1.71 0.00 0.00 66.02 61.40 1szr s SER 156 CO 0.23 -0.42 0.13 0.41 1.20 0.00 0.00 173.24 174.78 1szr n THR 157 N -0.27 1.47 0.00 6.45 -1.04 -1.26 -4.85 114.28 114.79 1szr n THR 157 Ca 0.06 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 1szr n THR 157 Cb 0.51 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 1szr n THR 157 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1szr n LYS 169 N -2.95 0.00 -4.05 -2.82 2.85 -1.26 -5.07 118.16 104.86 1szr n LYS 169 Ca -0.33 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 56.83 1szr n LYS 169 Cb 1.10 -0.76 -0.11 0.00 -0.65 0.00 0.00 35.03 34.61 1szr n LYS 169 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1szr s PHE 170 N -0.28 0.51 0.00 5.58 2.99 -1.26 -5.09 117.98 120.44 1szr s PHE 170 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 56.93 56.22 1szr s PHE 170 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 43.02 42.68 1szr s PHE 170 CO 0.00 -0.20 0.00 0.41 -0.00 0.00 0.00 175.22 175.43 1szr n GLY 171 N 0.97 1.55 3.72 4.36 0.00 -1.26 -4.68 105.19 109.85 1szr n GLY 171 Ca -0.20 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 3.45 0.53 4.61 0.00 -0.56 -4.07 121.76 125.72 1szr s ALA 172 Ca 0.00 0.95 -0.21 0.00 0.00 0.00 0.00 51.96 52.70 1szr s ALA 172 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 1szr s ALA 172 CO 0.00 -0.45 1.23 0.15 0.00 0.00 0.00 175.76 176.69 1szr s LYS 173 N 0.58 3.32 0.49 0.00 1.02 -1.26 -1.58 119.74 122.31 1szr s LYS 173 Ca 0.58 1.92 0.17 0.00 0.02 0.00 0.00 55.97 58.65 1szr s LYS 173 Cb -0.32 -2.20 1.19 0.00 -0.52 0.00 0.00 37.83 35.98 1szr s LYS 173 CO 0.32 -0.95 2.05 -0.39 -0.92 0.00 0.00 175.35 175.46 1szr h VAL 174 N 1.42 0.91 -0.19 3.17 -1.51 -1.95 -1.98 116.25 116.12 1szr h VAL 174 Ca -0.50 -0.06 -0.08 0.00 -1.23 0.00 0.00 66.70 64.82 1szr h VAL 174 Cb 1.28 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1szr h VAL 174 CO 0.58 0.03 -0.25 -0.33 -1.23 0.00 0.00 177.57 176.37 1szr h GLU 175 N 0.18 0.35 0.00 5.19 5.08 -2.03 -2.75 114.58 120.61 1szr h GLU 175 Ca 0.17 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1szr h GLU 175 Cb 0.43 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1szr h GLU 175 CO -0.03 0.58 -0.11 -0.25 -1.00 0.00 0.00 179.01 178.21 1szr n ASP 176 N -4.14 0.74 -0.16 1.42 8.00 -0.76 -4.34 116.55 117.31 1szr n ASP 176 Ca -0.01 0.48 -0.05 0.00 0.71 0.00 0.00 54.79 55.92 1szr n ASP 176 Cb 0.38 -0.60 0.13 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.87 -0.41 -0.96 0.00 2.43 -1.76 -1.26 114.38 113.28 1szr h ARG 178 Ca 0.18 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1szr h ARG 178 Cb 0.41 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 1szr h ARG 178 CO 0.01 -0.28 0.63 0.35 -1.51 0.00 0.00 179.97 179.17 1szr h PHE 179 N -0.43 1.17 -0.59 2.20 3.57 -1.78 -1.60 116.94 119.49 1szr h PHE 179 Ca 0.03 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1szr h PHE 179 Cb 0.45 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1szr h PHE 179 CO -0.21 0.67 0.14 0.82 -2.23 0.00 0.00 178.31 177.50 1szr h ILE 180 N 1.20 1.25 -0.15 1.41 2.04 -0.98 -1.97 117.51 120.32 1szr h ILE 180 Ca 0.39 -0.91 -0.13 0.00 1.00 0.00 0.00 64.86 65.21 1szr h ILE 180 Cb 0.02 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1szr h ILE 180 CO -0.13 0.34 -0.48 -0.07 0.00 0.00 0.00 178.15 177.80 1szr h LEU 181 N 0.86 0.41 -0.58 1.44 3.38 -0.96 -1.30 115.31 118.57 1szr h LEU 181 Ca 0.19 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1szr h LEU 181 Cb 0.35 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1szr h LEU 181 CO 0.00 0.83 0.21 -0.33 0.09 0.00 0.00 178.44 179.25 1szr h GLU 182 N 0.31 0.88 -0.43 1.13 5.08 -1.06 -1.02 114.58 119.47 1szr h GLU 182 Ca 0.02 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1szr h GLU 182 Cb 0.96 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1szr h GLU 182 CO 0.08 0.77 -0.11 1.96 -1.00 0.00 0.00 179.01 180.71 1szr h GLN 183 N 0.80 0.78 -0.34 2.33 1.08 -1.22 -2.66 115.11 115.88 1szr h GLN 183 Ca 0.19 -0.26 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 1szr h GLN 183 Cb 0.24 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1szr h GLN 183 CO -0.01 0.86 0.02 0.00 -0.95 0.00 0.00 178.83 178.75 1szr h ALA 184 N 1.16 1.40 -0.51 3.87 0.00 -0.85 -2.32 119.26 122.01 1szr h ALA 184 Ca 0.12 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1szr h ALA 184 Cb 0.60 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1szr h ALA 184 CO 0.04 0.42 -0.12 -0.22 0.00 0.00 0.00 179.25 179.38 1szr h LYS 185 N 0.51 0.96 0.00 0.00 1.63 -0.92 -1.00 116.57 117.73 1szr h LYS 185 Ca 0.11 -0.35 -0.08 0.00 -0.85 0.00 0.00 60.65 59.49 1szr h LYS 185 Cb 0.30 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 1szr h LYS 185 CO 0.01 1.01 -0.38 0.87 -3.45 0.00 0.00 179.45 177.51 1szr h LYS 186 N 0.85 0.00 -0.01 1.90 1.57 -1.11 -2.55 116.57 117.21 1szr h LYS 186 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1szr h LYS 186 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1szr h LYS 186 CO 0.05 0.38 -0.00 1.28 -0.57 0.00 0.00 179.45 180.58 1szr n LEU 187 N -4.04 1.37 -3.46 2.94 4.77 -0.91 -4.95 117.00 112.72 1szr n LEU 187 Ca -0.02 -0.46 -0.24 0.00 -0.03 0.00 0.00 56.01 55.26 1szr n LEU 187 Cb 0.41 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1szr n LEU 187 CO 0.39 0.23 0.14 -3.20 -1.33 0.00 0.00 177.39 173.62 1szr n ASN 188 N 0.07 -6.02 -4.73 -1.43 5.15 -0.92 -4.94 115.26 102.43 1szr n ASN 188 Ca 0.19 -0.49 -0.41 0.00 -0.60 0.00 0.00 54.58 53.28 1szr n ASN 188 Cb 0.34 -4.79 -0.05 0.00 -0.53 0.00 0.00 39.78 34.75 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 -3.26 4.34 -1.26 -1.44 -1.09 -0.43 -4.97 121.20 113.09 1szr s ILE 189 Ca 0.51 2.02 -0.16 0.00 -2.23 0.00 0.00 60.65 60.79 1szr s ILE 189 Cb -0.23 -4.29 0.12 0.00 -1.58 0.00 0.00 42.46 36.49 1szr s ILE 189 CO 0.63 0.35 1.60 -0.67 -1.23 0.00 0.00 174.94 175.61 1szr n ASP 190 N 2.49 5.07 -4.67 3.58 -0.08 -1.26 -4.76 116.55 116.92 1szr n ASP 190 Ca 0.02 -2.95 -0.43 0.00 -1.51 0.00 0.00 54.79 49.92 1szr n ASP 190 Cb 0.48 -1.65 -0.02 0.00 2.34 0.00 0.00 41.12 42.26 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 2.82 4.05 0.00 5.18 1.01 -1.26 -1.43 120.40 130.77 1szr s VAL 191 Ca 0.48 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.79 1szr s VAL 191 Cb 0.01 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1szr s VAL 191 CO 0.04 -0.07 0.84 0.35 0.00 0.00 0.00 175.10 176.26 1szr n THR 192 N 5.10 0.69 -2.34 3.92 -2.24 0.01 -3.83 114.28 115.59 1szr n THR 192 Ca 0.14 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1szr n THR 192 Cb 0.45 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.34 -1.28 2.85 3.38 0.00 -1.21 -0.60 105.19 107.99 1szr n GLY 193 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.75 0.11 0.27 1.61 1.01 -0.61 -1.29 120.40 118.76 1szr s VAL 194 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1szr s VAL 194 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 36.38 36.17 1szr s VAL 194 CO 0.00 0.08 -0.08 -0.94 0.00 0.00 0.00 175.10 174.16 1szr s SER 195 N 0.45 2.83 0.20 3.32 1.04 0.46 -1.15 113.70 120.85 1szr s SER 195 Ca -0.04 -1.16 -0.14 0.00 0.48 0.00 0.00 55.95 55.09 1szr s SER 195 Cb -0.06 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.88 1szr s SER 195 CO -0.01 -0.29 0.45 0.72 0.98 0.00 0.00 173.24 175.08 1szr s PHE 196 N -2.96 0.15 -0.25 5.02 -0.12 -0.61 -0.65 117.98 118.55 1szr s PHE 196 Ca 0.29 -0.51 -0.03 0.00 -0.05 0.00 0.00 56.93 56.62 1szr s PHE 196 Cb 0.03 0.22 0.10 0.00 -0.63 0.00 0.00 43.02 42.73 1szr s PHE 196 CO 0.12 -0.89 0.18 -1.58 -0.05 0.00 0.00 175.22 173.00 1szr s HIS 197 N -3.94 0.00 0.20 3.49 2.46 -1.26 -2.55 115.29 113.70 1szr s HIS 197 Ca 0.15 -0.41 -0.06 0.00 0.47 0.00 0.00 55.06 55.21 1szr s HIS 197 Cb 0.00 -0.66 0.15 0.00 -0.13 0.00 0.00 32.58 31.94 1szr s HIS 197 CO 0.01 -0.75 1.64 0.28 -2.47 0.00 0.00 174.74 173.45 1szr h VAL 198 N 6.36 1.26 0.00 0.89 2.07 -1.83 -3.44 116.25 121.56 1szr h VAL 198 Ca -0.17 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1szr h VAL 198 Cb 1.08 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1szr h VAL 198 CO 0.36 0.43 0.00 0.61 0.02 0.00 0.00 177.57 178.99 1szr n GLY 199 N -0.33 -0.10 0.14 2.17 0.00 -1.24 -4.74 105.19 101.09 1szr n GLY 199 Ca 0.01 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.30 1szr n GLY 199 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1szr h SER 200 N 0.00 0.00 -0.88 1.61 0.87 -1.86 -3.40 113.55 109.90 1szr h SER 200 Ca 0.00 -0.03 -0.62 0.00 -1.23 0.00 0.00 61.79 59.90 1szr h SER 200 Cb 0.00 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 61.85 1szr h SER 200 CO 0.00 0.02 1.86 0.61 -0.53 0.00 0.00 176.83 178.78 1szr n GLY 201 N 1.19 4.68 3.33 5.77 0.00 -1.26 -4.90 105.19 113.99 1szr n GLY 201 Ca 0.02 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 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 0.75 4.40 -0.02 1.61 0.15 -1.26 -4.96 113.70 114.36 1szr s SER 202 Ca 0.59 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.91 1szr s SER 202 Cb 0.25 -1.76 -0.25 0.00 -1.71 0.00 0.00 66.02 62.55 1szr s SER 202 CO -0.12 -0.01 0.75 0.71 1.20 0.00 0.00 173.24 175.78 1szr h THR 203 N 5.66 1.02 -3.99 6.45 1.35 -1.99 -3.44 112.91 117.97 1szr h THR 203 Ca -0.40 -2.75 -0.69 0.00 -0.55 0.00 0.00 66.41 62.01 1szr h THR 203 Cb 1.16 2.61 -0.22 0.00 -1.73 0.00 0.00 68.15 69.97 1szr h THR 203 CO 0.60 0.73 -0.78 -0.62 -0.25 0.00 0.00 175.52 175.20 1szr s ASP 204 N -6.64 3.97 0.00 5.36 3.68 -1.26 -4.79 116.67 116.98 1szr s ASP 204 Ca -0.09 -0.28 0.32 0.00 2.13 0.00 0.00 52.55 54.63 1szr s ASP 204 Cb 0.08 -0.77 1.87 0.00 -1.45 0.00 0.00 42.92 42.65 1szr s ASP 204 CO 0.83 0.31 2.21 0.00 0.13 0.00 0.00 175.17 178.64 1szr n ALA 205 N 1.95 2.67 0.27 3.66 0.00 -1.26 -3.47 120.51 124.34 1szr n ALA 205 Ca -0.16 -0.19 0.14 0.00 0.00 0.00 0.00 53.44 53.22 1szr n ALA 205 Cb 0.52 -1.52 0.76 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.98 0.00 4.64 -1.98 -2.57 113.55 112.66 1szr h SER 206 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1szr h SER 206 Cb 0.03 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 1szr h SER 206 CO 0.00 0.10 0.64 0.74 -0.87 0.00 0.00 176.83 177.44 1szr h THR 207 N 0.00 1.15 -0.66 2.95 2.02 -2.00 -1.75 112.91 114.62 1szr h THR 207 Ca -0.00 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 1szr h THR 207 Cb 0.36 -0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 1szr h THR 207 CO 0.01 0.22 0.16 -0.26 0.37 0.00 0.00 175.52 176.02 1szr h PHE 208 N 1.22 1.12 -0.09 3.16 0.04 -1.73 -2.20 116.94 118.46 1szr h PHE 208 Ca 0.40 -0.14 -0.10 0.00 2.80 0.00 0.00 57.97 60.93 1szr h PHE 208 Cb 0.04 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 1szr h PHE 208 CO -0.00 0.92 -0.42 0.00 -0.60 0.00 0.00 178.31 178.21 1szr h ALA 209 N 1.06 1.14 0.02 2.45 0.00 -1.48 -2.22 119.26 120.23 1szr h ALA 209 Ca 0.21 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.46 1szr h ALA 209 Cb 0.37 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1szr h ALA 209 CO 0.00 0.58 -1.01 0.37 0.00 0.00 0.00 179.25 179.19 1szr h GLN 210 N 0.17 0.47 -0.49 0.00 5.75 -1.24 -2.65 115.11 117.13 1szr h GLN 210 Ca 0.01 -0.54 -0.08 0.00 -0.15 0.00 0.00 58.65 57.89 1szr h GLN 210 Cb 0.81 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 1szr h GLN 210 CO 0.06 1.18 -0.01 0.00 -2.65 0.00 0.00 178.83 177.41 1szr h ALA 211 N 0.62 0.66 -0.55 3.38 0.00 -1.29 -1.46 119.26 120.62 1szr h ALA 211 Ca -0.10 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1szr h ALA 211 Cb 1.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1szr h ALA 211 CO 0.18 0.48 -0.06 0.82 0.00 0.00 0.00 179.25 180.67 1szr h ILE 212 N 0.73 1.26 -0.56 0.00 2.04 -1.47 0.18 117.51 119.70 1szr h ILE 212 Ca 0.14 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 1szr h ILE 212 Cb 0.53 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1szr h ILE 212 CO 0.03 0.43 0.27 -1.28 0.00 0.00 0.00 178.15 177.60 1szr h SER 213 N 0.90 0.73 0.28 1.72 0.87 -1.33 -1.81 113.55 114.91 1szr h SER 213 Ca 0.15 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 1szr h SER 213 Cb 0.60 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1szr h SER 213 CO 0.04 0.65 -0.41 0.44 -0.53 0.00 0.00 176.83 177.02 1szr h ASP 214 N 0.76 0.19 0.07 6.23 3.32 -1.03 -2.69 116.42 123.27 1szr h ASP 214 Ca 0.19 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1szr h ASP 214 Cb 0.11 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1szr h ASP 214 CO -0.02 0.59 -0.19 0.28 -1.72 0.00 0.00 179.24 178.17 1szr h SER 215 N 0.16 0.23 -0.09 6.45 0.02 -0.10 -2.36 113.55 117.85 1szr h SER 215 Ca 0.01 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 1szr h SER 215 Cb 0.80 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1szr h SER 215 CO 0.06 0.44 -0.39 -0.09 -1.14 0.00 0.00 176.83 175.71 1szr h ARG 216 N 0.22 0.61 -0.77 3.45 9.65 -1.02 0.11 114.38 126.63 1szr h ARG 216 Ca 0.04 -0.31 -0.03 0.00 -1.10 0.00 0.00 59.98 58.58 1szr h ARG 216 Cb 0.48 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 1szr h ARG 216 CO 0.03 0.90 0.36 0.35 2.80 0.00 0.00 179.97 184.42 1szr h PHE 217 N 0.51 1.12 0.06 2.20 3.57 -1.25 -2.10 116.94 121.05 1szr h PHE 217 Ca 0.04 -0.06 -0.24 0.00 3.53 0.00 0.00 57.97 61.25 1szr h PHE 217 Cb 0.90 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1szr h PHE 217 CO 0.04 0.82 -1.07 0.28 -2.23 0.00 0.00 178.31 176.16 1szr h VAL 218 N 1.09 1.53 -0.33 1.41 2.07 -1.34 -2.92 116.25 117.75 1szr h VAL 218 Ca 0.26 -2.93 0.03 0.00 0.82 0.00 0.00 66.70 64.88 1szr h VAL 218 Cb 0.13 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1szr h VAL 218 CO -0.03 0.85 0.16 0.15 0.02 0.00 0.00 177.57 178.72 1szr h PHE 219 N 0.09 0.29 -0.50 1.57 3.57 -0.83 -1.57 116.94 119.57 1szr h PHE 219 Ca -0.08 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 1szr h PHE 219 Cb 1.76 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.40 1szr h PHE 219 CO 0.04 0.15 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.83 1szr h ASP 220 N 0.33 0.81 -0.84 0.41 3.32 -1.43 -1.73 116.42 117.29 1szr h ASP 220 Ca 0.14 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1szr h ASP 220 Cb 0.06 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1szr h ASP 220 CO -0.11 0.88 0.55 0.24 -1.72 0.00 0.00 179.24 179.09 1szr h MET 221 N 0.78 1.09 -0.61 3.56 2.86 -1.28 0.44 114.93 121.77 1szr h MET 221 Ca 0.15 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1szr h MET 221 Cb 0.48 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1szr h MET 221 CO 0.02 0.72 0.33 0.78 1.06 0.00 0.00 176.91 179.83 1szr h GLY 222 N 1.13 0.92 0.92 8.32 0.00 -0.76 -2.20 103.07 111.40 1szr h GLY 222 Ca 0.31 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1szr h GLY 222 CO -0.07 0.41 0.05 -0.84 0.00 0.00 0.00 176.54 176.08 1szr h THR 223 N 0.83 1.24 -0.42 4.70 2.02 -0.95 -0.61 112.91 119.73 1szr h THR 223 Ca 0.21 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.53 1szr h THR 223 Cb 0.05 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1szr h THR 223 CO -0.03 0.30 0.28 -0.08 0.37 0.00 0.00 175.52 176.35 1szr h GLU 224 N 0.46 0.54 -0.01 6.66 4.81 -0.72 -1.85 114.58 124.46 1szr h GLU 224 Ca 0.11 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1szr h GLU 224 Cb 0.38 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1szr h GLU 224 CO 0.01 0.36 -0.03 1.28 -0.73 0.00 0.00 179.01 179.89 1szr n LEU 225 N -4.47 0.88 0.00 1.64 4.77 -0.85 -4.91 117.00 114.05 1szr n LEU 225 Ca 0.03 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1szr n LEU 225 Cb 0.07 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1szr n LEU 225 CO 0.35 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1szr n GLY 226 N 1.15 0.95 3.84 -0.72 0.00 -0.70 -5.06 105.19 104.65 1szr n GLY 226 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 3.39 -1.20 1.61 0.40 -0.25 -5.00 117.98 114.92 1szr s PHE 227 Ca 0.00 1.45 -0.13 0.00 -0.60 0.00 0.00 56.93 57.65 1szr s PHE 227 Cb 0.00 -2.75 0.18 0.00 0.51 0.00 0.00 43.02 40.97 1szr s PHE 227 CO 0.00 -0.18 1.40 1.21 0.70 0.00 0.00 175.22 178.36 1szr s ASN 228 N -2.61 7.10 -0.28 1.36 2.47 -1.25 -4.25 114.94 117.48 1szr s ASN 228 Ca 0.59 -3.07 -0.29 0.00 0.42 0.00 0.00 52.86 50.51 1szr s ASN 228 Cb -0.10 -2.38 0.01 0.00 -1.45 0.00 0.00 41.25 37.33 1szr s ASN 228 CO 0.22 -0.69 1.17 -0.04 -3.72 0.00 0.00 177.10 174.04 1szr s MET 229 N 1.26 4.06 0.00 0.43 -1.94 -1.26 -4.27 119.30 117.58 1szr s MET 229 Ca 0.41 1.23 0.00 0.00 -1.71 0.00 0.00 55.69 55.63 1szr s MET 229 Cb -0.04 -3.78 0.00 0.00 2.01 0.00 0.00 34.83 33.02 1szr s MET 229 CO -0.01 -0.92 0.28 -2.39 -0.01 0.00 0.00 175.02 171.96 1szr n HIS 230 N 7.04 0.00 -4.39 -0.03 1.44 0.23 -4.89 115.22 114.62 1szr n HIS 230 Ca 0.13 -0.01 -0.23 0.00 -2.01 0.00 0.00 57.72 55.60 1szr n HIS 230 Cb 0.47 -0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.41 1szr n HIS 230 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1szr s ILE 231 N -0.03 0.92 -0.19 0.61 1.01 0.01 -1.59 121.20 121.95 1szr s ILE 231 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 1szr s ILE 231 Cb 0.00 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.59 1szr s ILE 231 CO 0.00 0.31 -0.09 -0.22 0.00 0.00 0.00 174.94 174.94 1szr s LEU 232 N 0.83 2.73 -0.23 2.97 2.96 -0.79 -1.58 118.68 125.56 1szr s LEU 232 Ca -0.12 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 1szr s LEU 232 Cb -0.15 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.90 1szr s LEU 232 CO 0.02 0.03 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.37 1szr s ASP 233 N 1.16 4.11 0.00 3.68 -1.08 -0.30 -0.66 116.67 123.58 1szr s ASP 233 Ca 0.02 -0.84 0.22 0.00 -0.52 0.00 0.00 52.55 51.43 1szr s ASP 233 Cb -0.14 -1.63 0.38 0.00 -1.46 0.00 0.00 42.92 40.07 1szr s ASP 233 CO -0.03 -0.10 1.35 2.30 0.52 0.00 0.00 175.17 179.21 1szr n ILE 234 N 4.65 0.47 -4.11 4.11 -5.35 -0.08 -1.58 119.36 117.48 1szr n ILE 234 Ca -0.17 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.57 1szr n ILE 234 Cb 0.47 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 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 1.38 -0.10 0.00 3.28 0.00 -1.06 -4.64 105.19 104.05 1szr n GLY 235 Ca 0.18 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 6.00 0.00 -0.02 0.00 -1.25 -0.52 105.19 109.40 1szr n GLY 236 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 1.95 0.82 3.76 -0.02 0.00 -1.26 -3.62 105.19 106.83 1szr n GLY 237 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 3.39 0.44 1.61 0.40 -1.26 -4.34 117.98 116.22 1szr s PHE 238 Ca 0.00 1.60 -0.24 0.00 -0.60 0.00 0.00 56.93 57.69 1szr s PHE 238 Cb 0.00 -3.42 -0.08 0.00 0.51 0.00 0.00 43.02 40.03 1szr s PHE 238 CO 0.00 -1.01 1.19 -1.25 0.70 0.00 0.00 175.22 174.85 1szr s PRO 239 N -1.55 3.82 -0.05 0.24 0.04 -1.26 -3.67 135.00 132.57 1szr s PRO 239 Ca 0.46 1.86 0.07 0.00 0.04 0.00 0.00 61.00 63.43 1szr s PRO 239 Cb -0.35 -2.51 0.13 0.00 0.04 0.00 0.00 34.50 31.82 1szr s PRO 239 CO 0.45 -0.52 1.08 0.41 0.04 0.00 0.00 177.00 178.46 1szr n GLY 240 N 0.54 3.63 3.48 0.56 0.00 -1.26 -4.48 105.19 107.66 1szr n GLY 240 Ca 0.06 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.67 1.38 0.04 2.61 -4.23 -1.26 -2.86 115.64 109.65 1szr s THR 241 Ca 0.13 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.55 1szr s THR 241 Cb 0.11 -2.78 -0.31 0.00 1.34 0.00 0.00 72.50 70.86 1szr s THR 241 CO 0.02 -0.04 1.01 -0.09 -0.54 0.00 0.00 174.62 174.98 1szr h ARG 242 N 2.08 0.35 -0.70 3.99 9.65 -2.02 -3.36 114.38 124.38 1szr h ARG 242 Ca -0.41 -0.60 0.00 0.00 -1.10 0.00 0.00 59.98 57.86 1szr h ARG 242 Cb 1.24 0.22 0.00 0.00 -1.39 0.00 0.00 29.97 30.05 1szr h ARG 242 CO 0.71 1.27 0.00 -0.40 2.80 0.00 0.00 179.97 184.35 1szr n ASP 243 N -3.57 2.40 -4.73 -3.80 3.85 -1.26 -4.86 116.55 104.58 1szr n ASP 243 Ca -0.14 -2.25 -0.41 0.00 -0.71 0.00 0.00 54.79 51.28 1szr n ASP 243 Cb 1.06 -0.47 -0.04 0.00 -1.35 0.00 0.00 41.12 40.31 1szr n ASP 243 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1szr s ALA 244 N -1.64 3.25 0.03 2.12 0.00 -1.26 -4.98 121.76 119.27 1szr s ALA 244 Ca 0.19 0.57 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 1szr s ALA 244 Cb 0.14 -3.27 -0.16 0.00 0.00 0.00 0.00 23.12 19.83 1szr s ALA 244 CO 0.07 -0.03 1.38 -1.00 0.00 0.00 0.00 175.76 176.18 1szr h PRO 245 N 5.61 0.18 -6.09 0.00 0.13 -1.96 -3.39 132.00 126.49 1szr h PRO 245 Ca -0.43 -0.08 -0.59 0.00 -0.87 0.00 0.00 66.00 64.03 1szr h PRO 245 Cb 1.21 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 1szr h PRO 245 CO 0.72 0.54 0.60 -1.17 -0.23 0.00 0.00 178.00 178.46 1szr s LEU 246 N -9.32 3.99 0.37 1.56 2.96 -1.26 -5.03 118.68 111.95 1szr s LEU 246 Ca -0.15 0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 54.24 1szr s LEU 246 Cb 0.04 -3.26 -0.07 0.00 0.50 0.00 0.00 46.19 43.40 1szr s LEU 246 CO 0.71 -0.86 0.72 -0.54 -1.32 0.00 0.00 176.35 175.06 1szr s LYS 247 N 3.48 3.78 0.27 1.98 1.02 -1.26 -4.77 119.74 124.24 1szr s LYS 247 Ca 0.38 0.41 -0.03 0.00 0.02 0.00 0.00 55.97 56.75 1szr s LYS 247 Cb -0.12 -2.45 0.38 0.00 -0.52 0.00 0.00 37.83 35.12 1szr s LYS 247 CO 0.19 0.04 1.91 0.35 -0.92 0.00 0.00 175.35 176.92 1szr h PHE 248 N 1.49 1.18 -0.80 3.18 3.57 -1.94 -2.70 116.94 120.92 1szr h PHE 248 Ca -0.47 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1szr h PHE 248 Cb 1.19 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 1szr h PHE 248 CO 0.60 0.68 0.45 0.93 -2.23 0.00 0.00 178.31 178.74 1szr h GLU 249 N 1.22 1.12 0.03 1.11 3.07 -1.99 -0.63 114.58 118.50 1szr h GLU 249 Ca 0.39 -0.13 -0.22 0.00 -0.50 0.00 0.00 59.36 58.90 1szr h GLU 249 Cb 0.02 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.69 1szr h GLU 249 CO -0.12 0.82 -1.06 1.05 -1.40 0.00 0.00 179.01 178.29 1szr h GLU 250 N 1.12 0.06 -0.40 2.33 4.11 -1.93 -2.22 114.58 117.64 1szr h GLU 250 Ca 0.28 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.62 1szr h GLU 250 Cb 0.02 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1szr h GLU 250 CO -0.05 1.04 0.25 0.82 0.07 0.00 0.00 179.01 181.14 1szr h ILE 251 N 0.02 1.12 -0.90 -1.06 2.04 -1.35 -2.44 117.51 114.93 1szr h ILE 251 Ca -0.04 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1szr h ILE 251 Cb 1.82 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 1szr h ILE 251 CO 0.14 0.12 0.49 0.00 0.00 0.00 0.00 178.15 178.91 1szr h ALA 252 N 1.12 1.16 -0.45 1.87 0.00 -1.08 -1.28 119.26 120.61 1szr h ALA 252 Ca 0.15 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1szr h ALA 252 Cb -0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 1szr h ALA 252 CO -0.03 0.67 0.22 0.78 0.00 0.00 0.00 179.25 180.89 1szr h GLY 253 N 1.27 0.61 1.28 0.00 0.00 -1.24 -0.57 103.07 104.42 1szr h GLY 253 Ca 0.32 -0.15 -0.14 0.00 0.00 0.00 0.00 47.33 47.36 1szr h GLY 253 CO -0.05 0.10 -0.33 -2.08 0.00 0.00 0.00 176.54 174.18 1szr h VAL 254 N 0.44 1.28 -0.20 4.60 2.07 -0.97 -2.57 116.25 120.90 1szr h VAL 254 Ca 0.19 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1szr h VAL 254 Cb 0.11 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1szr h VAL 254 CO -0.14 0.49 0.06 0.40 0.02 0.00 0.00 177.57 178.40 1szr h ILE 255 N 0.68 1.19 -0.16 4.57 2.04 -1.03 -2.07 117.51 122.73 1szr h ILE 255 Ca 0.07 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1szr h ILE 255 Cb 0.87 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1szr h ILE 255 CO 0.08 0.19 0.06 0.78 0.00 0.00 0.00 178.15 179.25 1szr h ASN 256 N 0.14 0.19 0.04 1.72 -0.26 -0.99 0.14 115.58 116.56 1szr h ASN 256 Ca 0.06 -0.01 -0.27 0.00 -0.56 0.00 0.00 56.30 55.53 1szr h ASN 256 Cb 0.23 -0.05 0.02 0.00 -1.06 0.00 0.00 38.32 37.47 1szr h ASN 256 CO -0.00 0.18 -1.07 0.78 -1.06 0.00 0.00 177.43 176.26 1szr h ASN 257 N 0.22 0.87 0.00 5.81 4.21 -1.29 -1.97 115.58 123.43 1szr h ASN 257 Ca 0.06 -0.77 -0.07 0.00 1.21 0.00 0.00 56.30 56.73 1szr h ASN 257 Cb 0.05 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 36.97 1szr h ASN 257 CO -0.01 1.53 -0.17 0.00 -1.29 0.00 0.00 177.43 177.49 1szr h ALA 258 N 0.35 1.35 -0.25 -0.83 0.00 -1.00 -1.72 119.26 117.16 1szr h ALA 258 Ca -0.14 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1szr h ALA 258 Cb 1.73 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1szr h ALA 258 CO 0.21 0.44 -0.42 -0.07 0.00 0.00 0.00 179.25 179.41 1szr h LEU 259 N 0.30 0.80 -0.96 0.00 4.07 -0.95 -0.43 115.31 118.14 1szr h LEU 259 Ca 0.05 -0.53 -0.08 0.00 0.08 0.00 0.00 57.88 57.41 1szr h LEU 259 Cb 0.49 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 1szr h LEU 259 CO 0.03 1.17 -0.08 -0.08 -1.08 0.00 0.00 178.44 178.41 1szr h GLU 260 N 0.45 0.66 -0.10 1.13 4.57 -1.25 0.17 114.58 120.23 1szr h GLU 260 Ca 0.02 -0.19 -0.22 0.00 -1.18 0.00 0.00 59.36 57.79 1szr h GLU 260 Cb 1.02 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1szr h GLU 260 CO 0.10 0.74 -0.79 -0.22 -1.18 0.00 0.00 179.01 177.65 1szr h LYS 261 N 0.61 0.71 0.00 1.92 3.64 -1.20 -3.37 116.57 118.89 1szr h LYS 261 Ca 0.11 -0.63 -0.15 0.00 -1.27 0.00 0.00 60.65 58.71 1szr h LYS 261 Cb 0.50 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1szr h LYS 261 CO 0.03 1.24 -1.58 0.72 -2.27 0.00 0.00 179.45 177.59 1szr n HIS 262 N -3.98 0.00 -3.20 1.91 8.25 -0.18 -4.80 115.22 113.23 1szr n HIS 262 Ca -0.09 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.13 1szr n HIS 262 Cb 0.76 -0.41 -0.06 0.00 1.12 0.00 0.00 29.99 31.40 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 -2.43 2.28 -1.47 4.41 3.01 0.59 -4.96 117.46 118.89 1szr n PHE 263 Ca -0.15 -3.93 -0.33 0.00 1.01 0.00 0.00 57.45 54.05 1szr n PHE 263 Cb 0.75 -0.47 0.08 0.00 -0.01 0.00 0.00 39.48 39.84 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 -2.46 2.26 0.06 -1.08 0.04 -1.10 -4.56 135.00 128.15 1szr s PRO 264 Ca 0.41 1.59 -0.37 0.00 0.04 0.00 0.00 61.00 62.68 1szr s PRO 264 Cb 0.23 -1.87 -0.19 0.00 0.04 0.00 0.00 34.50 32.71 1szr s PRO 264 CO -0.08 -1.71 1.04 -2.30 0.04 0.00 0.00 177.00 173.99 1szr n PRO 265 N -2.79 0.27 -3.65 0.56 -0.02 -1.26 -4.98 135.00 123.14 1szr n PRO 265 Ca 0.12 0.10 -0.04 0.00 -2.02 0.00 0.00 63.50 61.66 1szr n PRO 265 Cb 0.51 -1.55 -0.05 0.00 -0.02 0.00 0.00 33.50 32.39 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 -0.07 -1.06 0.55 2.55 -1.08 -1.26 -5.05 116.67 111.24 1szr s ASP 266 Ca 0.85 1.55 0.30 0.00 -0.52 0.00 0.00 52.55 54.73 1szr s ASP 266 Cb -1.14 1.91 1.60 0.00 -1.46 0.00 0.00 42.92 43.83 1szr s ASP 266 CO 0.55 -0.23 2.12 -0.07 0.52 0.00 0.00 175.17 178.06 1szr h LEU 267 N 7.57 0.00 -0.86 -1.34 3.38 -2.03 -0.98 115.31 121.04 1szr h LEU 267 Ca -0.23 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1szr h LEU 267 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1szr h LEU 267 CO 0.13 0.08 -0.47 0.11 0.09 0.00 0.00 178.44 178.38 1szr h LYS 268 N 0.00 0.23 -5.88 1.13 6.56 -1.96 -3.45 116.57 113.19 1szr h LYS 268 Ca -0.00 -0.12 -0.57 0.00 -1.06 0.00 0.00 60.65 58.89 1szr h LYS 268 Cb 0.29 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 31.88 1szr h LYS 268 CO 0.01 0.66 -0.07 -1.17 -2.06 0.00 0.00 179.45 176.82 1szr s LEU 269 N -8.14 4.32 -0.11 2.94 2.96 -0.37 -4.70 118.68 115.58 1szr s LEU 269 Ca -0.04 0.97 0.03 0.00 -0.22 0.00 0.00 54.13 54.87 1szr s LEU 269 Cb 0.13 -2.81 -0.00 0.00 0.50 0.00 0.00 46.19 44.01 1szr s LEU 269 CO 0.78 0.02 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.71 1szr s THR 270 N 0.40 2.22 -0.12 3.68 2.01 -0.62 -4.74 115.64 118.48 1szr s THR 270 Ca 0.29 -0.96 -0.06 0.00 0.31 0.00 0.00 61.69 61.28 1szr s THR 270 Cb -0.16 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1szr s THR 270 CO 0.13 0.55 0.10 -0.63 -0.69 0.00 0.00 174.62 174.09 1szr s ILE 271 N 0.42 5.15 0.01 1.82 -1.09 -1.26 -1.89 121.20 124.35 1szr s ILE 271 Ca -0.16 0.08 -0.07 0.00 -2.23 0.00 0.00 60.65 58.27 1szr s ILE 271 Cb -0.17 -3.23 -0.00 0.00 -1.58 0.00 0.00 42.46 37.47 1szr s ILE 271 CO 0.07 0.60 0.12 -0.69 -1.23 0.00 0.00 174.94 173.82 1szr s VAL 272 N -0.90 0.09 0.22 2.92 1.01 0.16 -1.54 120.40 122.36 1szr s VAL 272 Ca 0.14 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1szr s VAL 272 Cb -0.12 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 1szr s VAL 272 CO 0.03 -0.41 0.06 0.00 0.00 0.00 0.00 175.10 174.78 1szr s ALA 273 N -1.50 1.57 -0.52 5.51 0.00 -0.68 -0.91 121.76 125.24 1szr s ALA 273 Ca -0.14 -1.75 0.07 0.00 0.00 0.00 0.00 51.96 50.14 1szr s ALA 273 Cb -0.07 0.84 0.33 0.00 0.00 0.00 0.00 23.12 24.22 1szr s ALA 273 CO 0.01 -0.40 0.85 0.39 0.00 0.00 0.00 175.76 176.61 1szr n GLU 274 N -0.37 2.43 -2.42 0.00 1.02 0.32 -0.16 120.64 121.47 1szr n GLU 274 Ca -0.03 -4.36 -0.41 0.00 -0.02 0.00 0.00 57.16 52.35 1szr n GLU 274 Cb 0.65 -2.05 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 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 -3.01 4.58 0.00 3.49 0.04 -1.24 -3.84 135.00 135.02 1szr s PRO 275 Ca 0.45 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1szr s PRO 275 Cb 0.29 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1szr s PRO 275 CO -0.11 0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1szr n GLY 276 N 1.44 0.11 0.27 0.56 0.00 -1.26 -1.73 105.19 104.57 1szr n GLY 276 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.66 1.61 0.11 -1.91 -2.60 114.38 110.93 1szr h ARG 277 Ca 0.00 0.00 0.14 0.00 0.10 0.00 0.00 59.98 60.22 1szr h ARG 277 Cb 0.00 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 30.96 1szr h ARG 277 CO 0.00 0.02 -0.09 -0.92 0.10 0.00 0.00 179.97 179.08 1szr h TYR 278 N 0.00 -0.22 0.00 4.08 3.20 -1.78 -1.39 116.97 120.86 1szr h TYR 278 Ca -0.00 0.05 -0.19 0.00 3.14 0.00 0.00 58.73 61.74 1szr h TYR 278 Cb 0.04 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1szr h TYR 278 CO 0.00 -0.25 -0.89 1.88 -1.64 0.00 0.00 178.16 177.26 1szr h TYR 279 N 0.04 0.00 0.00 -3.82 -1.99 -1.79 -3.41 116.97 106.01 1szr h TYR 279 Ca 0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.06 1szr h TYR 279 Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 1szr h TYR 279 CO -0.47 0.89 -0.77 1.33 -0.00 0.00 0.00 178.16 179.14 1szr n VAL 280 N -3.43 0.00 0.17 -2.88 0.24 -1.05 -4.41 118.33 106.97 1szr n VAL 280 Ca -0.00 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.34 62.03 1szr n VAL 280 Cb 0.86 0.62 -0.07 0.00 -1.47 0.00 0.00 33.84 33.78 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 0.03 -0.58 0.00 2.33 0.00 -1.48 -2.23 119.26 117.33 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 0.01 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1szr h ALA 281 CO 0.00 -0.86 0.00 -1.13 0.00 0.00 0.00 179.25 177.26 1szr n SER 282 N -5.41 0.12 0.20 0.00 3.41 -1.14 -2.00 113.62 108.81 1szr n SER 282 Ca -0.08 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.11 1szr n SER 282 Cb 0.31 -0.55 0.36 0.00 -0.26 0.00 0.00 64.21 64.08 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 2.77 1.00 -3.41 7.33 0.00 -1.68 -3.42 119.26 121.84 1szr h ALA 283 Ca 0.00 -0.30 -0.67 0.00 0.00 0.00 0.00 54.91 53.94 1szr h ALA 283 Cb 0.45 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.02 1szr h ALA 283 CO 0.00 0.41 -0.65 -0.06 0.00 0.00 0.00 179.25 178.95 1szr s PHE 284 N -3.61 3.08 -0.08 0.00 0.40 -1.24 -0.69 117.98 115.84 1szr s PHE 284 Ca 0.00 0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.44 1szr s PHE 284 Cb 0.11 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.83 1szr s PHE 284 CO 0.67 0.34 -0.21 0.95 0.70 0.00 0.00 175.22 177.67 1szr s THR 285 N -0.63 1.83 -0.21 0.64 -4.23 -0.82 -1.67 115.64 110.56 1szr s THR 285 Ca 0.10 -0.90 -0.12 0.00 -1.18 0.00 0.00 61.69 59.58 1szr s THR 285 Cb -0.12 -1.58 -0.05 0.00 1.34 0.00 0.00 72.50 72.09 1szr s THR 285 CO 0.02 0.51 0.24 -0.22 -0.54 0.00 0.00 174.62 174.63 1szr s LEU 286 N 0.27 4.16 -0.22 4.79 2.96 -0.06 -1.39 118.68 129.19 1szr s LEU 286 Ca -0.14 0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 53.98 1szr s LEU 286 Cb -0.16 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1szr s LEU 286 CO 0.06 0.05 0.09 0.00 -1.32 0.00 0.00 176.35 175.23 1szr s ALA 287 N 0.93 3.36 0.01 5.97 0.00 0.14 -0.78 121.76 131.40 1szr s ALA 287 Ca 0.12 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1szr s ALA 287 Cb -0.13 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 1szr s ALA 287 CO 0.04 -0.15 -0.19 0.54 0.00 0.00 0.00 175.76 176.00 1szr s VAL 288 N 0.99 1.52 -0.01 0.00 0.11 -0.37 -1.67 120.40 120.96 1szr s VAL 288 Ca 0.05 -0.95 -0.14 0.00 -2.93 0.00 0.00 61.98 58.01 1szr s VAL 288 Cb -0.14 -1.29 -0.05 0.00 -1.53 0.00 0.00 36.38 33.36 1szr s VAL 288 CO 0.03 0.32 0.38 0.21 -3.33 0.00 0.00 175.10 172.71 1szr s ASN 289 N -0.73 6.76 -0.58 3.54 3.84 -1.26 -0.44 114.94 126.06 1szr s ASN 289 Ca 0.07 0.91 -0.28 0.00 0.21 0.00 0.00 52.86 53.76 1szr s ASN 289 Cb -0.08 -2.23 0.03 0.00 -0.55 0.00 0.00 41.25 38.42 1szr s ASN 289 CO 0.00 0.34 1.20 -0.69 -2.79 0.00 0.00 177.10 175.16 1szr s VAL 290 N -1.07 4.00 -0.53 -5.21 1.01 -0.60 -2.42 120.40 115.57 1szr s VAL 290 Ca 0.23 0.89 0.23 0.00 0.00 0.00 0.00 61.98 63.32 1szr s VAL 290 Cb -0.16 -4.73 -0.08 0.00 0.00 0.00 0.00 36.38 31.41 1szr s VAL 290 CO 0.12 -1.35 1.05 2.30 0.00 0.00 0.00 175.10 177.22 1szr n ILE 291 N 6.67 0.25 -3.81 2.22 -5.35 -0.16 -1.57 119.36 117.61 1szr n ILE 291 Ca 0.08 -0.30 -0.09 0.00 -0.27 0.00 0.00 62.75 62.18 1szr n ILE 291 Cb 0.49 0.07 -0.03 0.00 -1.74 0.00 0.00 39.64 38.43 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 -3.23 -0.99 -0.28 -1.28 0.00 -1.16 -4.94 121.76 109.87 1szr s ALA 292 Ca 0.03 -0.32 -0.20 0.00 0.00 0.00 0.00 51.96 51.47 1szr s ALA 292 Cb 0.14 0.90 0.09 0.00 0.00 0.00 0.00 23.12 24.24 1szr s ALA 292 CO 0.79 -0.92 0.76 0.21 0.00 0.00 0.00 175.76 176.61 1szr s LYS 293 N -3.91 0.70 -0.04 0.00 2.20 -1.26 -2.13 119.74 115.31 1szr s LYS 293 Ca 0.12 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1szr s LYS 293 Cb -0.03 0.24 0.03 0.00 -1.51 0.00 0.00 37.83 36.55 1szr s LYS 293 CO 0.03 -0.12 -0.01 0.00 -0.36 0.00 0.00 175.35 174.89 1szr s ALA 294 N 1.03 0.45 0.28 3.13 0.00 -0.76 -4.99 121.76 120.90 1szr s ALA 294 Ca -0.05 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.88 1szr s ALA 294 Cb -0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.61 1szr s ALA 294 CO -0.11 -0.09 0.63 0.08 0.00 0.00 0.00 175.76 176.27 1szr s VAL 295 N 1.07 4.86 0.16 0.00 1.01 -1.26 -1.53 120.40 124.71 1szr s VAL 295 Ca -0.09 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1szr s VAL 295 Cb -0.14 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1szr s VAL 295 CO -0.01 -0.19 0.00 0.41 0.00 0.00 0.00 175.10 175.30 1szr n THR 296 N -0.46 0.00 -3.61 3.92 -1.04 -1.26 -4.97 114.28 106.86 1szr n THR 296 Ca 0.01 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.65 1szr n THR 296 Cb 0.53 -0.20 -0.06 0.00 -1.82 0.00 0.00 70.33 68.78 1szr n THR 296 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1szr s GLN 312 N -1.48 3.77 0.27 -2.82 2.00 -1.26 -4.80 119.66 115.34 1szr s GLN 312 Ca 0.00 0.24 -0.06 0.00 -2.00 0.00 0.00 55.36 53.55 1szr s GLN 312 Cb 0.00 -3.19 -0.01 0.00 0.80 0.00 0.00 33.01 30.61 1szr s GLN 312 CO 0.00 0.70 0.37 -1.12 -0.50 0.00 0.00 175.29 174.74 1szr s SER 313 N -1.16 0.36 0.03 6.67 0.01 -1.26 -4.18 113.70 114.17 1szr s SER 313 Ca 0.23 -1.26 -0.05 0.00 1.31 0.00 0.00 55.95 56.18 1szr s SER 313 Cb -0.15 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.62 1szr s SER 313 CO 0.12 -1.10 0.08 -0.36 0.41 0.00 0.00 173.24 172.39 1szr s PHE 314 N -3.74 0.21 -0.26 2.43 0.40 -1.07 -4.69 117.98 111.27 1szr s PHE 314 Ca 0.30 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 1szr s PHE 314 Cb 0.02 -0.15 0.07 0.00 0.51 0.00 0.00 43.02 43.47 1szr s PHE 314 CO 0.14 -0.35 -0.01 -1.64 0.70 0.00 0.00 175.22 174.07 1szr s MET 315 N -2.49 1.36 -0.15 0.44 -1.94 -0.58 -1.92 119.30 114.02 1szr s MET 315 Ca -0.06 -1.05 -0.12 0.00 -1.71 0.00 0.00 55.69 52.75 1szr s MET 315 Cb -0.02 -2.52 -0.05 0.00 2.01 0.00 0.00 34.83 34.26 1szr s MET 315 CO -0.04 -0.71 0.24 0.71 -0.01 0.00 0.00 175.02 175.21 1szr s TYR 316 N 1.42 3.49 -0.11 -0.03 1.51 0.04 -1.83 117.35 121.83 1szr s TYR 316 Ca -0.01 0.54 -0.04 0.00 -1.01 0.00 0.00 57.07 56.55 1szr s TYR 316 Cb -0.18 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.39 1szr s TYR 316 CO -0.10 0.35 0.05 0.71 -1.11 0.00 0.00 175.55 175.45 1szr s TYR 317 N 0.13 3.31 0.29 2.71 1.51 -0.90 -0.90 117.35 123.50 1szr s TYR 317 Ca 0.15 0.29 0.06 0.00 -1.01 0.00 0.00 57.07 56.55 1szr s TYR 317 Cb -0.13 -1.87 -0.06 0.00 -0.11 0.00 0.00 41.96 39.80 1szr s TYR 317 CO 0.03 0.52 -0.02 0.14 -1.11 0.00 0.00 175.55 175.11 1szr s VAL 318 N -0.79 1.48 -0.49 0.71 -7.23 -0.07 -0.99 120.40 113.02 1szr s VAL 318 Ca 0.13 -2.08 0.08 0.00 -1.81 0.00 0.00 61.98 58.30 1szr s VAL 318 Cb -0.12 -2.55 0.49 0.00 0.56 0.00 0.00 36.38 34.76 1szr s VAL 318 CO 0.03 -0.21 1.32 -0.46 -0.31 0.00 0.00 175.10 175.46 1szr n ASN 319 N -0.61 3.85 -3.94 4.85 0.23 -1.02 -2.22 115.26 116.40 1szr n ASN 319 Ca -0.05 -2.64 -0.10 0.00 -0.53 0.00 0.00 54.58 51.26 1szr n ASN 319 Cb 0.64 -0.63 -0.11 0.00 -2.08 0.00 0.00 39.78 37.60 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 -0.46 0.15 0.00 0.53 -1.08 -1.26 -4.76 116.67 109.78 1szr s ASP 320 Ca 0.34 -0.33 0.00 0.00 -0.52 0.00 0.00 52.55 52.04 1szr s ASP 320 Cb 0.26 0.11 0.00 0.00 -1.46 0.00 0.00 42.92 41.84 1szr s ASP 320 CO 0.09 -0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.14 1szr n GLY 321 N 1.87 3.64 0.26 2.66 0.00 -1.26 -4.34 105.19 108.02 1szr n GLY 321 Ca -0.21 -0.94 0.17 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.90 -0.38 116.25 114.07 1szr h VAL 322 Ca 0.00 -0.35 -0.05 0.00 -1.23 0.00 0.00 66.70 65.06 1szr h VAL 322 Cb 0.00 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 1szr h VAL 322 CO 0.00 0.00 -0.62 1.88 -1.23 0.00 0.00 177.57 177.60 1szr h TYR 323 N 0.00 0.00 0.00 5.19 -1.99 -1.94 -3.00 116.97 115.23 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 0.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1szr h TYR 323 CO 0.00 0.22 0.00 0.41 -0.00 0.00 0.00 178.16 178.79 1szr n GLY 324 N 1.20 0.67 0.24 3.88 0.00 -0.24 -1.38 105.19 109.56 1szr n GLY 324 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.24 1.61 0.02 -1.77 -2.01 113.55 111.15 1szr h SER 325 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1szr h SER 325 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1szr h SER 325 CO 0.00 0.17 0.00 0.49 -1.14 0.00 0.00 176.83 176.35 1szr n PHE 326 N -4.06 0.50 0.17 3.45 3.01 -0.66 -3.88 117.46 115.99 1szr n PHE 326 Ca -0.02 -0.21 0.17 0.00 1.01 0.00 0.00 57.45 58.40 1szr n PHE 326 Cb 0.25 -0.09 0.78 0.00 -0.01 0.00 0.00 39.48 40.41 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 1.51 0.00 -0.28 4.37 7.08 -1.21 -0.66 115.58 126.38 1szr h ASN 327 Ca 0.00 0.00 0.08 0.00 -3.08 0.00 0.00 56.30 53.30 1szr h ASN 327 Cb 0.61 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.84 1szr h ASN 327 CO 0.07 0.00 0.37 0.00 -2.08 0.00 0.00 177.43 175.78 1szr h ILE 329 N 0.00 1.20 0.12 0.00 2.04 -1.33 -0.92 117.51 118.62 1szr h ILE 329 Ca 0.13 -0.64 -0.31 0.00 1.00 0.00 0.00 64.86 65.05 1szr h ILE 329 Cb 0.87 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1szr h ILE 329 CO -0.00 0.23 -1.56 -0.07 0.00 0.00 0.00 178.15 176.75 1szr h LEU 330 N 0.46 0.40 0.00 1.44 4.07 -1.44 -3.23 115.31 117.01 1szr h LEU 330 Ca 0.12 -0.56 -0.17 0.00 0.08 0.00 0.00 57.88 57.35 1szr h LEU 330 Cb 0.22 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 1szr h LEU 330 CO -0.01 1.47 -1.79 -1.22 -1.08 0.00 0.00 178.44 175.81 1szr n TYR 331 N -3.45 0.49 -1.01 1.13 4.02 -0.46 -4.55 117.16 113.33 1szr n TYR 331 Ca -0.17 0.16 0.04 0.00 -0.01 0.00 0.00 57.90 57.91 1szr n TYR 331 Cb 1.05 -0.91 0.05 0.00 -0.02 0.00 0.00 39.34 39.50 1szr n TYR 331 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1szr n ASP 332 N -2.69 1.33 -2.88 7.72 4.64 -0.41 -5.01 116.55 119.25 1szr n ASP 332 Ca -0.14 -2.22 -0.20 0.00 -1.38 0.00 0.00 54.79 50.85 1szr n ASP 332 Cb 0.84 -0.20 0.01 0.00 -1.04 0.00 0.00 41.12 40.73 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 -0.63 -1.65 -2.63 -0.67 8.25 -1.06 -4.91 115.22 111.92 1szr n HIS 333 Ca 0.06 0.31 -0.41 0.00 -0.26 0.00 0.00 57.72 57.42 1szr n HIS 333 Cb 0.53 -3.69 -0.05 0.00 1.12 0.00 0.00 29.99 27.91 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 -2.98 3.32 -0.15 -1.41 0.00 -0.83 -4.99 121.76 114.72 1szr s ALA 334 Ca 0.21 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 1szr s ALA 334 Cb -0.10 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1szr s ALA 334 CO 0.26 -0.06 -0.11 0.14 0.00 0.00 0.00 175.76 175.99 1szr s VAL 335 N -0.39 3.13 0.20 0.00 -7.23 -1.26 -4.48 120.40 110.37 1szr s VAL 335 Ca 0.47 -0.62 0.10 0.00 -1.81 0.00 0.00 61.98 60.11 1szr s VAL 335 Cb -0.27 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1szr s VAL 335 CO 0.33 0.50 -0.13 0.68 -0.31 0.00 0.00 175.10 176.17 1szr s VAL 336 N 0.61 2.95 -0.16 1.32 -7.23 -1.26 -5.13 120.40 111.49 1szr s VAL 336 Ca -0.07 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1szr s VAL 336 Cb -0.15 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.34 1szr s VAL 336 CO 0.03 -0.18 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.37 1szr s ARG 337 N -2.97 2.35 0.36 4.82 0.52 -1.26 -4.92 118.95 117.84 1szr s ARG 337 Ca 0.25 -0.66 -0.25 0.00 -0.52 0.00 0.00 55.73 54.55 1szr s ARG 337 Cb -0.08 -2.24 -0.10 0.00 0.52 0.00 0.00 34.95 33.06 1szr s ARG 337 CO 0.14 -0.27 0.99 -1.25 0.02 0.00 0.00 175.30 174.94 1szr s PRO 338 N 1.44 4.38 -0.12 3.54 0.04 -1.26 -4.46 135.00 138.55 1szr s PRO 338 Ca 0.04 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 1szr s PRO 338 Cb -0.14 -2.65 0.05 0.00 0.04 0.00 0.00 34.50 31.81 1szr s PRO 338 CO -0.11 0.07 0.11 -0.51 0.04 0.00 0.00 177.00 176.61 1szr s LEU 339 N -2.37 0.15 0.33 -3.56 1.02 -0.03 -4.95 118.68 109.27 1szr s LEU 339 Ca 0.54 -0.21 -0.28 0.00 0.02 0.00 0.00 54.13 54.20 1szr s LEU 339 Cb -0.20 -0.04 -0.12 0.00 0.02 0.00 0.00 46.19 45.85 1szr s LEU 339 CO 0.25 -0.30 1.31 -2.65 0.02 0.00 0.00 176.35 174.98 1szr n PRO 340 N 5.30 2.15 0.07 1.29 -0.02 -1.26 0.25 135.00 142.77 1szr n PRO 340 Ca -0.05 0.75 -0.07 0.00 -2.02 0.00 0.00 63.50 62.11 1szr n PRO 340 Cb 0.49 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 1szr n PRO 340 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1szr h GLN 341 N 2.74 0.02 -7.10 -0.52 -0.00 -1.82 -3.45 115.11 104.97 1szr h GLN 341 Ca -0.46 -0.03 -0.51 0.00 -0.00 0.00 0.00 58.65 57.65 1szr h GLN 341 Cb 1.28 0.01 0.09 0.00 0.00 0.00 0.00 27.48 28.86 1szr h GLN 341 CO 0.64 0.98 0.43 0.50 0.00 0.00 0.00 178.83 181.39 1szr s ARG 342 N -2.79 3.17 0.20 1.69 3.52 -1.26 -4.98 118.95 118.51 1szr s ARG 342 Ca 0.00 1.64 -0.31 0.00 -0.13 0.00 0.00 55.73 56.93 1szr s ARG 342 Cb 0.10 -1.98 -0.11 0.00 -1.56 0.00 0.00 34.95 31.41 1szr s ARG 342 CO 0.82 -1.00 1.61 -1.21 -0.81 0.00 0.00 175.30 174.71 1szr s GLU 343 N -3.40 4.18 0.76 5.12 2.02 -1.26 -5.18 118.70 120.93 1szr s GLU 343 Ca 0.73 2.46 -0.11 0.00 0.02 0.00 0.00 54.97 58.07 1szr s GLU 343 Cb -0.25 -3.11 0.05 0.00 0.10 0.00 0.00 34.13 30.92 1szr s GLU 343 CO 0.30 -0.64 1.13 -1.25 0.02 0.00 0.00 175.26 174.82 1szr s PRO 344 N 0.90 2.34 0.00 0.39 0.04 -1.26 -5.19 135.00 132.21 1szr s PRO 344 Ca 0.70 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1szr s PRO 344 Cb -0.46 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1szr s PRO 344 CO 0.34 -1.33 0.00 1.17 0.04 0.00 0.00 177.00 177.21 1szr n LYS 349 N -3.15 0.00 -4.85 4.56 4.81 -1.26 -5.28 118.16 112.99 1szr n LYS 349 Ca 0.07 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.26 1szr n LYS 349 Cb 0.59 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.49 1szr n LYS 349 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1szr s LEU 350 N 0.00 2.01 0.20 3.14 1.02 -1.26 -4.31 118.68 119.48 1szr s LEU 350 Ca 0.00 -0.33 0.11 0.00 0.02 0.00 0.00 54.13 53.93 1szr s LEU 350 Cb 0.00 -0.93 -0.04 0.00 0.02 0.00 0.00 46.19 45.24 1szr s LEU 350 CO 0.00 0.21 -0.19 -0.31 0.02 0.00 0.00 176.35 176.07 1szr s TYR 351 N -0.33 2.40 0.03 0.29 1.51 -0.04 -4.91 117.35 116.30 1szr s TYR 351 Ca 0.05 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.49 1szr s TYR 351 Cb -0.08 -1.16 -0.06 0.00 -0.11 0.00 0.00 41.96 40.55 1szr s TYR 351 CO -0.00 0.53 1.42 -1.25 -1.11 0.00 0.00 175.55 175.14 1szr s PRO 352 N -2.83 4.28 0.19 -1.71 0.04 -1.26 -2.29 135.00 131.43 1szr s PRO 352 Ca 0.23 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.31 1szr s PRO 352 Cb -0.08 -3.52 -0.05 0.00 0.04 0.00 0.00 34.50 30.90 1szr s PRO 352 CO 0.12 -0.56 0.03 -1.12 0.04 0.00 0.00 177.00 175.50 1szr s SER 353 N 1.80 1.16 0.03 6.66 0.01 -0.79 -2.58 113.70 119.99 1szr s SER 353 Ca 0.65 -1.22 0.04 0.00 1.31 0.00 0.00 55.95 56.73 1szr s SER 353 Cb -0.33 0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 1szr s SER 353 CO 0.28 -0.61 -0.11 -0.94 0.41 0.00 0.00 173.24 172.26 1szr s SER 354 N -3.20 1.33 -0.07 2.44 1.04 -0.81 -2.12 113.70 112.32 1szr s SER 354 Ca 0.27 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.32 1szr s SER 354 Cb 0.06 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1szr s SER 354 CO 0.06 -0.01 -0.19 -0.69 0.98 0.00 0.00 173.24 173.38 1szr s VAL 355 N -0.86 2.59 0.07 5.02 1.01 -0.90 -0.78 120.40 126.54 1szr s VAL 355 Ca -0.01 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1szr s VAL 355 Cb -0.07 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1szr s VAL 355 CO 0.01 0.57 -0.13 0.26 0.00 0.00 0.00 175.10 175.80 1szr s TRP 356 N -0.24 1.15 0.91 5.22 0.52 -0.08 -1.02 118.94 125.41 1szr s TRP 356 Ca -0.00 -0.47 -0.15 0.00 0.02 0.00 0.00 56.10 55.50 1szr s TRP 356 Cb -0.13 -0.65 0.16 0.00 -1.15 0.00 0.00 33.47 31.70 1szr s TRP 356 CO 0.03 0.04 1.28 0.20 0.02 0.00 0.00 176.95 178.52 1szr s GLY 357 N -1.75 1.73 0.00 0.98 0.00 -0.51 -0.89 107.32 106.87 1szr s GLY 357 Ca -0.03 -1.05 0.31 0.00 0.00 0.00 0.00 44.72 43.95 1szr s GLY 357 CO 0.02 -0.37 2.10 -1.55 0.00 0.00 0.00 173.10 173.31 1szr n PRO 358 N -3.63 0.62 -2.00 2.90 -0.04 -0.94 -4.62 135.00 127.30 1szr n PRO 358 Ca 0.13 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.29 1szr n PRO 358 Cb 0.60 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.58 1szr n PRO 358 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1szr s THR 359 N -2.37 4.12 0.56 0.52 -4.23 -1.26 -4.96 115.64 108.02 1szr s THR 359 Ca 0.35 0.56 0.29 0.00 -1.18 0.00 0.00 61.69 61.72 1szr s THR 359 Cb 0.21 -3.67 0.42 0.00 1.34 0.00 0.00 72.50 70.80 1szr s THR 359 CO 0.42 -0.84 1.92 0.00 -0.54 0.00 0.00 174.62 175.58 1szr s ASP 361 N -5.57 6.05 0.00 0.00 -1.08 -1.26 -4.97 116.67 109.83 1szr s ASP 361 Ca -0.05 1.71 0.25 0.00 -0.52 0.00 0.00 52.55 53.94 1szr s ASP 361 Cb 0.18 -2.52 0.50 0.00 -1.46 0.00 0.00 42.92 39.63 1szr s ASP 361 CO 0.66 -0.99 1.40 0.61 0.52 0.00 0.00 175.17 177.38 1szr n GLY 362 N -1.30 -0.70 0.15 2.66 0.00 -1.26 -3.66 105.19 101.08 1szr n GLY 362 Ca 0.08 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.78 1szr n GLY 362 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1szr h LEU 363 N 1.01 0.00 -5.96 0.99 5.85 -1.98 -3.40 115.31 111.82 1szr h LEU 363 Ca 0.00 0.00 -0.71 0.00 0.84 0.00 0.00 57.88 58.01 1szr h LEU 363 Cb 0.54 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1szr h LEU 363 CO 0.00 0.00 3.16 -0.67 -0.34 0.00 0.00 178.44 180.59 1szr n ASP 364 N -2.59 4.10 -4.15 1.25 -0.08 -1.24 -4.88 116.55 108.96 1szr n ASP 364 Ca 0.05 -2.82 -0.30 0.00 -1.51 0.00 0.00 54.79 50.21 1szr n ASP 364 Cb 0.44 -1.64 -0.17 0.00 2.34 0.00 0.00 41.12 42.09 1szr n ASP 364 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1szr s GLN 365 N 3.18 2.60 -0.25 -0.67 0.74 -1.26 -1.43 119.66 122.57 1szr s GLN 365 Ca 0.48 -0.72 0.04 0.00 0.05 0.00 0.00 55.36 55.21 1szr s GLN 365 Cb 0.14 -2.01 -0.18 0.00 1.10 0.00 0.00 33.01 32.06 1szr s GLN 365 CO -0.08 0.11 -0.17 -0.89 -0.55 0.00 0.00 175.29 173.71 1szr n ILE 366 N 3.66 1.49 -3.79 -2.34 5.41 -0.19 -4.90 119.36 118.70 1szr n ILE 366 Ca -0.20 -0.61 -0.14 0.00 1.00 0.00 0.00 62.75 62.80 1szr n ILE 366 Cb 0.52 -1.31 -0.15 0.00 -0.71 0.00 0.00 39.64 38.00 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 -2.52 -0.04 -0.12 1.39 1.01 -1.06 -4.68 120.40 114.38 1szr s VAL 367 Ca -0.31 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 1szr s VAL 367 Cb 0.09 -0.11 -0.26 0.00 0.00 0.00 0.00 36.38 36.10 1szr s VAL 367 CO 0.63 0.06 0.42 -0.08 0.00 0.00 0.00 175.10 176.13 1szr h GLU 368 N 6.88 0.23 -1.17 2.72 4.81 -1.87 -2.39 114.58 123.79 1szr h GLU 368 Ca -0.38 -0.40 -0.20 0.00 -0.13 0.00 0.00 59.36 58.25 1szr h GLU 368 Cb 1.15 0.15 -0.19 0.00 0.63 0.00 0.00 28.75 30.49 1szr h GLU 368 CO 0.47 1.19 -0.55 1.03 -0.73 0.00 0.00 179.01 180.42 1szr s ARG 369 N -2.51 1.03 -0.04 1.92 0.52 -1.21 -4.36 118.95 114.30 1szr s ARG 369 Ca -0.22 -1.11 0.05 0.00 -0.52 0.00 0.00 55.73 53.93 1szr s ARG 369 Cb 0.06 -0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.30 1szr s ARG 369 CO 0.75 -1.32 -0.18 -0.47 0.02 0.00 0.00 175.30 174.10 1szr s TYR 370 N 0.88 2.59 -0.54 -0.53 5.04 -0.90 -4.83 117.35 119.06 1szr s TYR 370 Ca 0.29 -0.26 -0.27 0.00 -2.44 0.00 0.00 57.07 54.38 1szr s TYR 370 Cb -0.00 -1.60 0.03 0.00 0.35 0.00 0.00 41.96 40.74 1szr s TYR 370 CO -0.07 0.10 1.09 0.71 -1.34 0.00 0.00 175.55 176.05 1szr s TYR 371 N -0.66 2.73 0.32 4.97 1.51 -1.26 -1.88 117.35 123.08 1szr s TYR 371 Ca 0.10 0.38 0.10 0.00 -1.01 0.00 0.00 57.07 56.65 1szr s TYR 371 Cb -0.11 -4.34 -0.06 0.00 -0.11 0.00 0.00 41.96 37.35 1szr s TYR 371 CO 0.00 -1.41 -0.13 -0.51 -1.11 0.00 0.00 175.55 172.39 1szr s LEU 372 N 4.49 2.68 1.26 -1.29 1.43 -0.97 -4.86 118.68 121.42 1szr s LEU 372 Ca 0.41 -1.14 -0.21 0.00 -1.03 0.00 0.00 54.13 52.15 1szr s LEU 372 Cb -0.09 -1.03 0.31 0.00 0.03 0.00 0.00 46.19 45.42 1szr s LEU 372 CO 0.26 -0.12 1.10 -2.16 0.23 0.00 0.00 176.35 175.65 1szr s PRO 373 N -3.58 -1.70 -0.06 1.29 0.04 -1.26 -0.86 135.00 128.87 1szr s PRO 373 Ca 0.32 -0.16 -0.30 0.00 0.04 0.00 0.00 61.00 60.90 1szr s PRO 373 Cb -0.00 -1.55 -0.03 0.00 0.04 0.00 0.00 34.50 32.96 1szr s PRO 373 CO 0.16 -4.01 1.25 -2.00 0.04 0.00 0.00 177.00 172.44 1szr s GLU 374 N -5.47 4.32 0.17 4.56 2.12 -1.26 -4.76 118.70 118.38 1szr s GLU 374 Ca 0.72 1.73 0.06 0.00 0.36 0.00 0.00 54.97 57.84 1szr s GLU 374 Cb -0.08 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 1szr s GLU 374 CO 0.56 -0.51 0.12 -1.64 -0.54 0.00 0.00 175.26 173.25 1szr s MET 375 N 2.42 2.81 0.27 4.30 -1.94 -1.26 -5.13 119.30 120.77 1szr s MET 375 Ca 0.57 -0.93 0.09 0.00 -1.71 0.00 0.00 55.69 53.72 1szr s MET 375 Cb -0.26 -2.59 -0.04 0.00 2.01 0.00 0.00 34.83 33.95 1szr s MET 375 CO 0.22 0.47 0.05 -0.65 -0.01 0.00 0.00 175.02 175.10 1szr s GLN 376 N -3.13 2.43 0.10 2.03 -1.52 -1.26 -5.07 119.66 113.23 1szr s GLN 376 Ca 0.30 -1.36 -0.31 0.00 -1.95 0.00 0.00 55.36 52.05 1szr s GLN 376 Cb -0.10 -2.24 -0.08 0.00 -0.22 0.00 0.00 33.01 30.37 1szr s GLN 376 CO 0.23 0.35 1.47 0.08 -0.25 0.00 0.00 175.29 177.16 1szr s VAL 377 N -2.30 3.21 0.00 1.09 1.01 -1.26 -2.52 120.40 119.62 1szr s VAL 377 Ca 0.32 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1szr s VAL 377 Cb -0.06 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1szr s VAL 377 CO 0.21 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1szr n GLY 378 N 3.65 1.86 3.86 4.51 0.00 -0.61 -5.03 105.19 113.43 1szr n GLY 378 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.67 3.84 -0.04 1.61 2.02 -1.05 -4.82 118.70 119.60 1szr s GLU 379 Ca 0.00 0.62 -0.01 0.00 0.02 0.00 0.00 54.97 55.60 1szr s GLU 379 Cb 0.00 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 1szr s GLU 379 CO 0.00 -0.09 0.06 -1.58 0.02 0.00 0.00 175.26 173.67 1szr s TRP 380 N -2.41 3.26 -0.12 1.61 0.52 -1.26 -1.56 118.94 118.98 1szr s TRP 380 Ca 0.54 0.23 0.01 0.00 0.02 0.00 0.00 56.10 56.89 1szr s TRP 380 Cb -0.10 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 1szr s TRP 380 CO 0.30 0.54 -0.15 -0.51 0.02 0.00 0.00 176.95 177.15 1szr s LEU 381 N -1.37 2.63 0.01 2.99 1.43 0.41 -2.27 118.68 122.51 1szr s LEU 381 Ca 0.19 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1szr s LEU 381 Cb -0.12 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1szr s LEU 381 CO 0.09 0.18 0.14 -0.76 0.23 0.00 0.00 176.35 176.23 1szr s LEU 382 N 0.25 4.15 -0.14 1.79 1.43 0.14 -1.23 118.68 125.06 1szr s LEU 382 Ca -0.10 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 1szr s LEU 382 Cb -0.16 -2.52 0.04 0.00 0.03 0.00 0.00 46.19 43.58 1szr s LEU 382 CO 0.06 0.25 -0.01 -0.36 0.23 0.00 0.00 176.35 176.51 1szr s PHE 383 N -1.31 1.15 0.60 0.29 0.40 0.04 -0.85 117.98 118.30 1szr s PHE 383 Ca 0.27 -0.70 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1szr s PHE 383 Cb -0.12 -1.06 0.00 0.00 0.51 0.00 0.00 43.02 42.35 1szr s PHE 383 CO 0.18 -0.52 0.93 -1.21 0.70 0.00 0.00 175.22 175.30 1szr s GLU 384 N 1.82 3.03 -1.06 0.44 2.02 -1.26 -0.88 118.70 122.80 1szr s GLU 384 Ca 0.02 0.14 -0.00 0.00 0.02 0.00 0.00 54.97 55.15 1szr s GLU 384 Cb -0.15 -2.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 1szr s GLU 384 CO -0.07 -0.69 0.89 -0.25 0.02 0.00 0.00 175.26 175.16 1szr n ASP 385 N -2.62 -2.40 -1.31 -0.19 8.00 -1.15 -4.87 116.55 112.00 1szr n ASP 385 Ca 0.04 -0.56 -0.09 0.00 0.71 0.00 0.00 54.79 54.89 1szr n ASP 385 Cb 0.57 -4.66 0.12 0.00 -0.02 0.00 0.00 41.12 37.13 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 -3.74 2.53 -0.01 -1.24 2.81 -0.67 -4.70 117.12 112.11 1szr n MET 386 Ca -0.24 -3.68 0.10 0.00 -1.81 0.00 0.00 57.70 52.07 1szr n MET 386 Cb 0.65 -1.94 -0.16 0.00 -0.71 0.00 0.00 33.22 31.06 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 -0.94 -0.94 3.68 3.03 0.00 -0.85 -4.72 105.19 104.46 1szr n GLY 387 Ca 0.32 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.42 3.62 -1.45 4.61 0.00 -1.26 -4.52 121.76 119.35 1szr s ALA 388 Ca -0.07 -0.80 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 1szr s ALA 388 Cb 0.13 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.98 1szr s ALA 388 CO 0.85 -0.11 0.70 0.66 0.00 0.00 0.00 175.76 177.86 1szr n TYR 389 N 4.10 -1.91 0.01 0.00 4.02 -0.42 -4.89 117.16 118.07 1szr n TYR 389 Ca -0.15 0.82 -0.00 0.00 -0.01 0.00 0.00 57.90 58.57 1szr n TYR 389 Cb 0.52 -3.91 -0.00 0.00 -0.02 0.00 0.00 39.34 35.93 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 -4.43 0.31 -0.33 -0.72 -2.24 -1.26 -3.92 114.28 101.68 1szr n THR 390 Ca -0.17 0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 1szr n THR 390 Cb 0.62 -1.15 0.09 0.00 -2.10 0.00 0.00 70.33 67.79 1szr n THR 390 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1szr h VAL 391 N -0.00 1.24 0.00 2.28 2.07 -1.85 -2.98 116.25 117.01 1szr h VAL 391 Ca 0.00 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1szr h VAL 391 Cb 0.00 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 1szr h VAL 391 CO 0.00 0.24 -0.17 -0.37 0.02 0.00 0.00 177.57 177.29 1szr h VAL 392 N 1.23 0.65 -0.69 2.57 -1.51 -1.88 -2.99 116.25 113.62 1szr h VAL 392 Ca 0.33 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1szr h VAL 392 Cb -0.10 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1szr h VAL 392 CO -0.07 0.17 0.00 0.61 -1.23 0.00 0.00 177.57 177.05 1szr n GLY 393 N -0.47 2.63 3.79 5.19 0.00 -1.13 -5.00 105.19 110.20 1szr n GLY 393 Ca -0.01 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.55 4.10 0.33 2.61 -4.23 -1.13 -4.86 115.64 110.91 1szr s THR 394 Ca 0.51 1.62 0.08 0.00 -1.18 0.00 0.00 61.69 62.73 1szr s THR 394 Cb 0.31 -3.85 -0.06 0.00 1.34 0.00 0.00 72.50 70.24 1szr s THR 394 CO 0.28 0.03 -0.07 -0.94 -0.54 0.00 0.00 174.62 173.38 1szr s SER 395 N -1.69 3.40 -0.59 3.99 1.04 -0.48 -5.02 113.70 114.36 1szr s SER 395 Ca 0.54 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1szr s SER 395 Cb -0.18 -0.29 0.52 0.00 0.10 0.00 0.00 66.02 66.17 1szr s SER 395 CO 0.23 -0.28 1.98 -1.54 0.98 0.00 0.00 173.24 174.61 1szr n SER 396 N -0.74 6.32 -4.74 7.02 3.41 -1.26 -4.51 113.62 119.12 1szr n SER 396 Ca -0.05 -3.73 -0.40 0.00 -0.26 0.00 0.00 58.87 54.43 1szr n SER 396 Cb 0.64 -0.92 0.02 0.00 -0.26 0.00 0.00 64.21 63.69 1szr n SER 396 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1szr n PHE 397 N -0.99 2.40 -0.91 7.33 7.35 -1.26 -1.90 117.46 129.47 1szr n PHE 397 Ca 0.61 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 57.76 1szr n PHE 397 Cb 1.00 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 38.43 1szr n PHE 397 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1szr n ASN 398 N -0.33 -4.55 0.00 -2.13 5.03 -1.26 -2.60 115.26 109.42 1szr n ASN 398 Ca 0.07 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.52 1szr n ASN 398 Cb 0.42 -3.00 0.00 0.00 -1.02 0.00 0.00 39.78 36.18 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 0.07 0.92 3.72 7.41 0.00 -0.80 -5.03 105.19 111.49 1szr n GLY 399 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.68 3.46 0.29 1.61 2.99 -1.07 -5.02 117.98 116.56 1szr s PHE 400 Ca 0.00 1.38 -0.13 0.00 0.00 0.00 0.00 56.93 58.18 1szr s PHE 400 Cb 0.00 -3.40 -0.08 0.00 0.00 0.00 0.00 43.02 39.54 1szr s PHE 400 CO 0.00 -1.15 0.67 -0.65 -0.00 0.00 0.00 175.22 174.09 1szr s GLN 401 N 0.53 3.93 0.33 0.44 -1.52 -1.26 -4.48 119.66 117.62 1szr s GLN 401 Ca 0.56 0.53 -0.27 0.00 -1.95 0.00 0.00 55.36 54.23 1szr s GLN 401 Cb -0.30 -2.52 -0.09 0.00 -0.22 0.00 0.00 33.01 29.88 1szr s GLN 401 CO 0.32 0.22 1.05 -1.54 -0.25 0.00 0.00 175.29 175.09 1szr s SER 402 N -2.29 7.11 0.40 5.90 1.04 -1.26 -4.97 113.70 119.62 1szr s SER 402 Ca 0.52 2.12 -0.26 0.00 0.48 0.00 0.00 55.95 58.80 1szr s SER 402 Cb -0.11 -2.61 -0.11 0.00 0.10 0.00 0.00 66.02 63.30 1szr s SER 402 CO 0.19 -0.25 1.17 -2.65 0.98 0.00 0.00 173.24 172.69 1szr n PRO 403 N 0.68 1.74 -2.36 4.02 -0.02 -1.26 -4.97 135.00 132.82 1szr n PRO 403 Ca 0.01 0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 61.74 1szr n PRO 403 Cb 0.47 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 1szr n PRO 403 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1szr s THR 404 N -1.19 3.32 -0.16 3.45 2.01 -1.24 -4.76 115.64 117.06 1szr s THR 404 Ca 0.61 1.03 -0.04 0.00 0.31 0.00 0.00 61.69 63.60 1szr s THR 404 Cb -0.55 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 1szr s THR 404 CO 0.58 0.03 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.89 1szr s ILE 405 N -1.53 4.04 -0.08 1.82 1.01 -1.26 -1.49 121.20 123.71 1szr s ILE 405 Ca 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1szr s ILE 405 Cb -0.27 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1szr s ILE 405 CO 0.34 0.49 -0.05 -0.31 0.00 0.00 0.00 174.94 175.41 1szr s TYR 406 N 0.32 2.99 -0.08 3.97 1.51 -0.10 -4.96 117.35 121.00 1szr s TYR 406 Ca -0.03 0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 1szr s TYR 406 Cb -0.14 -1.74 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1szr s TYR 406 CO 0.03 0.35 -0.08 0.71 -1.11 0.00 0.00 175.55 175.44 1szr s TYR 407 N -0.78 2.91 -0.30 2.71 1.51 -1.26 -0.55 117.35 121.59 1szr s TYR 407 Ca 0.12 -0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 55.98 1szr s TYR 407 Cb -0.11 -1.74 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 1szr s TYR 407 CO 0.02 0.22 0.18 0.08 -1.11 0.00 0.00 175.55 174.94 1szr s VAL 408 N -0.56 4.98 -0.77 0.71 1.01 -0.48 -4.94 120.40 120.36 1szr s VAL 408 Ca 0.08 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 1szr s VAL 408 Cb -0.12 -3.47 0.15 0.00 0.00 0.00 0.00 36.38 32.94 1szr s VAL 408 CO 0.02 0.13 0.84 -0.69 0.00 0.00 0.00 175.10 175.40 1szr s VAL 409 N 1.69 5.07 0.04 2.92 1.01 -1.26 -3.11 120.40 126.76 1szr s VAL 409 Ca 0.06 -1.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.06 1szr s VAL 409 Cb -0.17 -4.56 -0.17 0.00 0.00 0.00 0.00 36.38 31.48 1szr s VAL 409 CO 0.09 -1.20 1.36 0.28 0.00 0.00 0.00 175.10 175.63 1szr h SER 410 N 8.60 -0.77 0.00 3.32 0.02 -1.96 -3.50 113.55 119.25 1szr h SER 410 Ca -0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1szr h SER 410 Cb 1.05 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1szr h SER 410 CO 0.98 -0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 1szr n GLY 411 N -1.01 -0.73 1.66 -3.77 0.00 -1.26 -5.10 105.19 94.98 1szr n GLY 411 Ca -0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 1szr n GLY 411 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1szr n LEU 412 N 0.00 -2.67 -0.23 0.99 7.94 -1.26 -4.66 117.00 117.11 1szr n LEU 412 Ca 0.00 0.05 0.26 0.00 -1.11 0.00 0.00 56.01 55.21 1szr n LEU 412 Cb 0.00 -1.28 0.63 0.00 0.53 0.00 0.00 43.42 43.31 1szr n LEU 412 CO 0.00 -0.25 1.25 -0.65 -1.11 0.00 0.00 177.39 176.63 1szr h PRO 413 N 0.20 0.17 0.00 1.96 0.11 -1.99 -1.11 132.00 131.34 1szr h PRO 413 Ca 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1szr h PRO 413 Cb 0.24 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 1szr h PRO 413 CO 0.02 0.11 -0.13 0.38 -0.21 0.00 0.00 178.00 178.18 1szr h ASP 414 N 0.17 0.00 0.47 -2.05 2.03 -1.98 -2.00 116.42 113.07 1szr h ASP 414 Ca 0.48 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.64 1szr h ASP 414 Cb 1.58 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.06 1szr h ASP 414 CO -0.10 0.13 -1.64 1.57 -1.03 0.00 0.00 179.24 178.16 1szr n HIS 415 N -3.89 0.60 0.11 4.15 -0.00 -0.46 -4.10 115.22 111.63 1szr n HIS 415 Ca -0.02 0.19 -0.01 0.00 -0.00 0.00 0.00 57.72 57.89 1szr n HIS 415 Cb 0.22 -0.92 0.27 0.00 -0.00 0.00 0.00 29.99 29.56 1szr n HIS 415 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1szr h VAL 416 N 0.00 1.28 -0.49 3.57 2.07 -1.01 -3.01 116.25 118.65 1szr h VAL 416 Ca -0.16 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 65.93 1szr h VAL 416 Cb 1.47 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1szr h VAL 416 CO 0.03 0.40 -0.08 0.58 0.02 0.00 0.00 177.57 178.52 1szr h VAL 417 N 0.19 1.27 -0.96 2.57 2.07 -1.53 -2.83 116.25 117.02 1szr h VAL 417 Ca 0.02 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.40 1szr h VAL 417 Cb 0.70 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1szr h VAL 417 CO 0.05 0.42 0.61 -0.09 0.02 0.00 0.00 177.57 178.58 1szr h ARG 418 N 0.77 1.11 -1.22 1.57 9.65 -1.68 -2.88 114.38 121.70 1szr h ARG 418 Ca 0.13 -0.07 0.36 0.00 -1.10 0.00 0.00 59.98 59.30 1szr h ARG 418 Cb 0.62 -0.25 -0.10 0.00 -1.39 0.00 0.00 29.97 28.85 1szr h ARG 418 CO 0.04 0.73 0.81 1.49 2.80 0.00 0.00 179.97 185.84 1szr h GLU 419 N 1.14 0.18 0.00 0.20 4.57 -1.39 -3.50 114.58 115.78 1szr h GLU 419 Ca 0.40 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1szr h GLU 419 Cb 0.12 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1szr h GLU 419 CO -0.16 0.12 0.00 1.47 -1.18 0.00 0.00 179.01 179.26