#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 5.46 0.50 1.61 1.01 -1.26 -4.50 116.67 119.49 1szr s ASP 38 Ca 0.00 1.93 -0.20 0.00 0.71 0.00 0.00 52.55 55.00 1szr s ASP 38 Cb 0.00 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.31 1szr s ASP 38 CO 0.00 -1.39 1.06 -2.16 0.21 0.00 0.00 175.17 172.88 1szr s PRO 39 N -4.01 3.68 0.03 8.23 0.04 -1.26 -4.82 135.00 136.89 1szr s PRO 39 Ca 0.66 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 1szr s PRO 39 Cb -0.19 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.30 1szr s PRO 39 CO 0.38 -0.54 0.33 -0.59 0.04 0.00 0.00 177.00 176.63 1szr s PHE 40 N -1.97 -0.17 0.01 0.56 -0.12 -0.56 -3.68 117.98 112.05 1szr s PHE 40 Ca 0.68 0.12 -0.06 0.00 -0.05 0.00 0.00 56.93 57.62 1szr s PHE 40 Cb -0.18 0.13 -0.05 0.00 -0.63 0.00 0.00 43.02 42.29 1szr s PHE 40 CO 0.22 -0.49 0.26 -0.06 -0.05 0.00 0.00 175.22 175.10 1szr s PHE 41 N -2.20 3.57 -0.25 3.49 0.40 -0.52 -0.44 117.98 122.03 1szr s PHE 41 Ca -0.07 0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.81 1szr s PHE 41 Cb -0.02 -1.97 0.05 0.00 0.51 0.00 0.00 43.02 41.59 1szr s PHE 41 CO -0.01 0.62 -0.09 0.08 0.70 0.00 0.00 175.22 176.51 1szr s VAL 42 N -1.30 2.45 -0.30 -0.44 1.01 -0.26 -1.21 120.40 120.34 1szr s VAL 42 Ca 0.28 -1.37 -0.10 0.00 0.00 0.00 0.00 61.98 60.79 1szr s VAL 42 Cb -0.13 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1szr s VAL 42 CO 0.16 0.08 0.15 0.00 0.00 0.00 0.00 175.10 175.50 1szr s ALA 43 N 1.20 3.32 -0.59 5.51 0.00 -0.07 -1.87 121.76 129.26 1szr s ALA 43 Ca -0.04 -1.28 -0.22 0.00 0.00 0.00 0.00 51.96 50.42 1szr s ALA 43 Cb -0.18 -2.36 0.06 0.00 0.00 0.00 0.00 23.12 20.64 1szr s ALA 43 CO -0.05 -0.76 0.85 0.34 0.00 0.00 0.00 175.76 176.14 1szr s ASP 44 N 1.65 6.23 0.40 0.00 2.15 0.52 -1.74 116.67 125.87 1szr s ASP 44 Ca 0.06 -0.85 0.20 0.00 0.43 0.00 0.00 52.55 52.38 1szr s ASP 44 Cb -0.16 -2.38 0.81 0.00 -0.30 0.00 0.00 42.92 40.88 1szr s ASP 44 CO 0.07 -1.22 1.79 -0.07 -0.17 0.00 0.00 175.17 175.57 1szr h LEU 45 N 10.71 0.00 -1.79 -1.34 3.38 -1.66 -2.50 115.31 122.11 1szr h LEU 45 Ca -0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1szr h LEU 45 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1szr h LEU 45 CO 1.10 0.33 -0.08 1.23 0.09 0.00 0.00 178.44 181.10 1szr h GLY 46 N 1.82 0.00 1.44 0.83 0.00 -1.80 -2.31 103.07 103.05 1szr h GLY 46 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1szr h GLY 46 CO 0.04 0.00 -0.34 -1.80 0.00 0.00 0.00 176.54 174.44 1szr h ASP 47 N 0.00 0.65 -0.28 0.19 3.58 -1.79 -2.73 116.42 116.03 1szr h ASP 47 Ca -0.00 -0.27 -0.08 0.00 0.42 0.00 0.00 57.03 57.10 1szr h ASP 47 Cb 0.42 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1szr h ASP 47 CO 0.01 0.94 -0.08 0.40 -2.88 0.00 0.00 179.24 177.63 1szr h ILE 48 N 0.52 1.24 -0.37 2.25 2.04 -1.50 -2.07 117.51 119.63 1szr h ILE 48 Ca 0.06 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.82 1szr h ILE 48 Cb 0.84 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1szr h ILE 48 CO 0.07 0.36 0.13 0.58 0.00 0.00 0.00 178.15 179.30 1szr h VAL 49 N 0.62 1.20 -0.49 1.67 2.07 -1.42 -2.17 116.25 117.73 1szr h VAL 49 Ca 0.11 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1szr h VAL 49 Cb 0.51 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1szr h VAL 49 CO 0.03 0.23 0.04 0.03 0.02 0.00 0.00 177.57 177.92 1szr h ARG 50 N 0.45 0.79 -0.67 1.57 3.08 -1.33 -1.46 114.38 116.81 1szr h ARG 50 Ca 0.12 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1szr h ARG 50 Cb 0.22 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1szr h ARG 50 CO -0.01 0.77 0.29 0.87 -1.07 0.00 0.00 179.97 180.82 1szr h LYS 51 N 0.74 0.96 -0.25 0.04 1.79 -1.24 -1.60 116.57 117.01 1szr h LYS 51 Ca 0.15 -0.14 -0.15 0.00 -2.18 0.00 0.00 60.65 58.33 1szr h LYS 51 Cb 0.39 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1szr h LYS 51 CO 0.01 0.76 -0.47 1.25 -1.08 0.00 0.00 179.45 179.93 1szr h HIS 52 N 0.95 0.80 -0.32 -1.35 2.76 -0.82 -1.59 115.15 115.58 1szr h HIS 52 Ca 0.23 -0.26 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1szr h HIS 52 Cb 0.14 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1szr h HIS 52 CO 0.01 1.00 0.14 0.93 -1.30 0.00 0.00 177.93 178.72 1szr h GLU 53 N 0.52 0.47 -0.21 5.26 5.08 -0.97 -1.79 114.58 122.93 1szr h GLU 53 Ca 0.03 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1szr h GLU 53 Cb 1.01 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1szr h GLU 53 CO 0.10 0.45 -0.12 1.15 -1.00 0.00 0.00 179.01 179.59 1szr h THR 54 N 0.37 1.20 0.12 1.13 2.02 -1.25 -2.64 112.91 113.87 1szr h THR 54 Ca 0.11 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1szr h THR 54 Cb 0.14 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1szr h THR 54 CO -0.01 0.27 -0.06 -0.25 0.37 0.00 0.00 175.52 175.84 1szr h TRP 55 N 0.32 -0.15 -0.15 3.16 2.91 -0.93 -1.69 115.95 119.41 1szr h TRP 55 Ca 0.06 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.12 1szr h TRP 55 Cb 0.41 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.10 1szr h TRP 55 CO 0.01 0.17 0.12 0.87 -1.03 0.00 0.00 178.44 178.59 1szr h LYS 56 N -0.49 0.00 0.06 2.65 1.57 -1.22 0.13 116.57 119.28 1szr h LYS 56 Ca -0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1szr h LYS 56 Cb 0.39 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.71 1szr h LYS 56 CO 0.03 0.00 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.32 1szr h LYS 57 N 0.00 0.14 0.00 3.15 3.64 -1.38 -3.17 116.57 118.95 1szr h LYS 57 Ca 0.07 -0.23 -0.16 0.00 -1.27 0.00 0.00 60.65 59.06 1szr h LYS 57 Cb 0.32 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1szr h LYS 57 CO -0.00 1.11 -0.81 0.00 -2.27 0.00 0.00 179.45 177.47 1szr n LEU 59 N -3.25 1.27 0.27 0.00 4.77 0.01 -4.77 117.00 115.30 1szr n LEU 59 Ca -0.00 -5.00 0.12 0.00 -0.03 0.00 0.00 56.01 51.09 1szr n LEU 59 Cb 0.84 0.41 0.77 0.00 -2.33 0.00 0.00 43.42 43.11 1szr n LEU 59 CO 0.44 2.19 1.06 1.55 -1.33 0.00 0.00 177.39 181.29 1szr h PRO 60 N 3.51 0.00 -0.00 3.23 0.13 -1.72 -2.31 132.00 134.84 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 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1szr h PRO 60 CO 0.55 0.05 -0.22 0.54 -0.23 0.00 0.00 178.00 178.69 1szr n ARG 61 N -4.02 0.03 -3.77 0.86 1.74 -1.26 -4.83 116.66 105.41 1szr n ARG 61 Ca -0.03 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.68 1szr n ARG 61 Cb 0.13 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.95 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 -2.98 4.19 -0.22 1.55 1.01 -0.87 -4.20 120.40 118.88 1szr s VAL 62 Ca 0.13 -0.21 -0.24 0.00 0.00 0.00 0.00 61.98 61.66 1szr s VAL 62 Cb 0.18 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 1szr s VAL 62 CO 0.60 0.35 0.79 -0.89 0.00 0.00 0.00 175.10 175.95 1szr s THR 63 N 1.60 4.88 0.01 3.92 2.01 -0.52 -4.89 115.64 122.65 1szr s THR 63 Ca 0.06 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.26 1szr s THR 63 Cb -0.15 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1szr s THR 63 CO 0.03 -0.02 1.00 -2.16 -0.69 0.00 0.00 174.62 172.77 1szr s PRO 64 N 2.55 4.56 -0.43 4.92 0.04 -1.26 -1.49 135.00 143.88 1szr s PRO 64 Ca 0.34 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 1szr s PRO 64 Cb -0.16 -3.44 0.12 0.00 0.04 0.00 0.00 34.50 31.06 1szr s PRO 64 CO 0.09 -0.04 0.22 -0.06 0.04 0.00 0.00 177.00 177.25 1szr s PHE 65 N 0.92 3.57 0.11 0.56 0.40 0.61 -0.99 117.98 123.16 1szr s PHE 65 Ca 0.52 -2.49 -0.34 0.00 -0.60 0.00 0.00 56.93 54.03 1szr s PHE 65 Cb -0.22 -3.21 -0.14 0.00 0.51 0.00 0.00 43.02 39.97 1szr s PHE 65 CO 0.28 -0.96 1.63 0.98 0.70 0.00 0.00 175.22 177.86 1szr n TYR 66 N 4.44 2.26 -2.43 0.36 9.36 -0.54 -3.72 117.16 126.90 1szr n TYR 66 Ca -0.01 0.22 -0.40 0.00 3.32 0.00 0.00 57.90 61.03 1szr n TYR 66 Cb 0.41 -2.56 -0.03 0.00 -0.63 0.00 0.00 39.34 36.53 1szr n TYR 66 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1szr s ALA 67 N 1.53 2.61 0.48 2.98 0.00 -0.37 0.16 121.76 129.16 1szr s ALA 67 Ca 0.82 -1.26 0.18 0.00 0.00 0.00 0.00 51.96 51.70 1szr s ALA 67 Cb -0.69 -4.29 1.20 0.00 0.00 0.00 0.00 23.12 19.34 1szr s ALA 67 CO 0.41 -3.46 2.01 0.28 0.00 0.00 0.00 175.76 175.00 1szr h VAL 68 N 6.27 0.86 -0.75 0.00 2.07 -1.77 -2.20 116.25 120.73 1szr h VAL 68 Ca -0.25 -0.07 0.17 0.00 0.82 0.00 0.00 66.70 67.37 1szr h VAL 68 Cb 1.07 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1szr h VAL 68 CO 1.27 0.04 0.51 0.07 0.02 0.00 0.00 177.57 179.48 1szr h LYS 69 N 0.20 0.28 -0.29 1.57 2.10 -1.90 -2.76 116.57 115.77 1szr h LYS 69 Ca 0.22 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.82 1szr h LYS 69 Cb 0.61 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.87 1szr h LYS 69 CO -0.04 0.19 0.05 0.00 -2.00 0.00 0.00 179.45 177.65 1szr s ASN 71 N -5.89 -1.22 -0.22 0.00 3.04 -1.05 -1.63 114.94 107.96 1szr s ASN 71 Ca -0.13 0.92 0.14 0.00 0.04 0.00 0.00 52.86 53.83 1szr s ASN 71 Cb 0.08 2.09 0.53 0.00 -1.54 0.00 0.00 41.25 42.41 1szr s ASN 71 CO 0.75 -0.23 1.46 -0.90 -3.04 0.00 0.00 177.10 175.14 1szr n ASP 72 N 5.42 3.51 -4.70 -4.21 3.85 -1.20 -4.81 116.55 114.41 1szr n ASP 72 Ca -0.04 -3.25 -0.43 0.00 -0.71 0.00 0.00 54.79 50.36 1szr n ASP 72 Cb 0.51 -0.58 -0.02 0.00 -1.35 0.00 0.00 41.12 39.68 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 -0.70 3.15 0.15 -1.12 -0.08 -1.26 -4.85 116.55 111.84 1szr n ASP 73 Ca 0.26 1.15 -0.00 0.00 -1.51 0.00 0.00 54.79 54.70 1szr n ASP 73 Cb 0.97 -1.50 0.24 0.00 2.34 0.00 0.00 41.12 43.18 1szr n ASP 73 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1szr h TRP 74 N 4.17 0.03 0.00 -0.67 5.08 -1.99 -1.33 115.95 121.25 1szr h TRP 74 Ca -0.46 -0.01 -0.12 0.00 1.08 0.00 0.00 58.89 59.38 1szr h TRP 74 Cb 1.26 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 27.39 1szr h TRP 74 CO 0.56 0.53 -0.56 0.00 -1.28 0.00 0.00 178.44 177.70 1szr h ARG 75 N 0.02 0.00 -0.14 0.12 3.08 -1.98 -0.73 114.38 114.74 1szr h ARG 75 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1szr h ARG 75 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1szr h ARG 75 CO 0.07 0.56 0.05 0.28 -1.07 0.00 0.00 179.97 179.85 1szr h VAL 76 N 0.00 1.18 -0.40 2.04 2.07 -1.68 -2.13 116.25 117.33 1szr h VAL 76 Ca -0.01 -0.54 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 1szr h VAL 76 Cb 1.08 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1szr h VAL 76 CO 0.07 0.16 -0.18 -0.07 0.02 0.00 0.00 177.57 177.57 1szr h LEU 77 N 0.05 0.76 -0.52 2.57 3.38 -1.21 -2.30 115.31 118.04 1szr h LEU 77 Ca 0.05 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 1szr h LEU 77 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1szr h LEU 77 CO -0.00 0.94 -0.34 1.23 0.09 0.00 0.00 178.44 180.36 1szr h GLY 78 N 0.97 0.92 0.89 0.83 0.00 -1.12 -0.44 103.07 105.12 1szr h GLY 78 Ca 0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 1szr h GLY 78 CO 0.05 0.80 0.09 -0.84 0.00 0.00 0.00 176.54 176.64 1szr h THR 79 N 0.70 1.19 -0.49 4.70 2.02 -1.30 -2.22 112.91 117.51 1szr h THR 79 Ca 0.07 -0.59 -0.11 0.00 0.77 0.00 0.00 66.41 66.55 1szr h THR 79 Cb 0.90 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1szr h THR 79 CO 0.08 0.19 -0.14 -0.07 0.37 0.00 0.00 175.52 175.95 1szr h LEU 80 N 0.25 0.95 -0.79 2.58 3.38 -1.28 -1.77 115.31 118.62 1szr h LEU 80 Ca 0.08 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1szr h LEU 80 Cb 0.22 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1szr h LEU 80 CO -0.00 1.08 0.51 0.00 0.09 0.00 0.00 178.44 180.12 1szr h ALA 81 N 0.99 1.04 -0.02 1.53 0.00 -0.99 -2.20 119.26 119.62 1szr h ALA 81 Ca 0.13 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1szr h ALA 81 Cb 0.69 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1szr h ALA 81 CO 0.05 0.33 -0.68 0.00 0.00 0.00 0.00 179.25 178.95 1szr h ALA 82 N 1.33 0.82 0.00 0.00 0.00 -1.21 -2.60 119.26 117.59 1szr h ALA 82 Ca 0.31 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1szr h ALA 82 Cb -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1szr h ALA 82 CO -0.11 0.81 -0.06 -0.07 0.00 0.00 0.00 179.25 179.82 1szr h LEU 83 N 0.08 0.00 0.00 0.00 3.38 -0.87 -3.47 115.31 114.43 1szr h LEU 83 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1szr h LEU 83 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1szr h LEU 83 CO 0.10 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1szr n GLY 84 N -0.24 1.26 3.83 0.83 0.00 -0.87 -5.09 105.19 104.91 1szr n GLY 84 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 4.19 0.09 2.61 -4.23 -0.95 -5.00 115.64 110.34 1szr s THR 85 Ca 0.00 0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 61.21 1szr s THR 85 Cb 0.00 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.35 1szr s THR 85 CO 0.00 -0.93 0.13 0.61 -0.54 0.00 0.00 174.62 173.89 1szr n GLY 86 N -2.16 -0.40 3.08 3.99 0.00 -0.16 -4.73 105.19 104.81 1szr n GLY 86 Ca 0.07 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.83 -0.35 -0.38 1.61 0.40 0.04 -1.46 117.98 117.01 1szr s PHE 87 Ca 0.08 0.82 -0.15 0.00 -0.60 0.00 0.00 56.93 57.08 1szr s PHE 87 Cb -0.00 0.07 0.00 0.00 0.51 0.00 0.00 43.02 43.60 1szr s PHE 87 CO 0.05 -0.24 0.35 0.34 0.70 0.00 0.00 175.22 176.42 1szr s ASP 88 N 1.22 6.15 0.02 1.36 2.15 0.12 -1.60 116.67 126.09 1szr s ASP 88 Ca -0.09 -0.53 0.03 0.00 0.43 0.00 0.00 52.55 52.39 1szr s ASP 88 Cb -0.10 -2.19 -0.04 0.00 -0.30 0.00 0.00 42.92 40.30 1szr s ASP 88 CO -0.08 -0.41 -0.02 0.00 -0.17 0.00 0.00 175.17 174.48 1szr n ALA 90 N 1.28 2.05 -3.38 0.00 0.00 -1.26 -2.04 120.51 117.16 1szr n ALA 90 Ca -0.14 -0.97 -0.10 0.00 0.00 0.00 0.00 53.44 52.23 1szr n ALA 90 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.92 -0.33 0.33 0.00 1.04 -1.26 -4.80 113.70 107.75 1szr s SER 91 Ca 0.01 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.10 1szr s SER 91 Cb 0.01 0.60 0.63 0.00 0.10 0.00 0.00 66.02 67.35 1szr s SER 91 CO 0.01 -1.06 1.93 -0.55 0.98 0.00 0.00 173.24 174.55 1szr h ASN 92 N 2.14 0.80 -0.47 7.02 -1.07 -1.97 -1.81 115.58 120.21 1szr h ASN 92 Ca -0.29 0.01 -0.12 0.00 0.07 0.00 0.00 56.30 55.96 1szr h ASN 92 Cb 1.27 -0.16 -0.02 0.00 -2.07 0.00 0.00 38.32 37.34 1szr h ASN 92 CO 0.36 0.51 -0.17 0.74 0.07 0.00 0.00 177.43 178.94 1szr h THR 93 N 0.91 1.27 -0.08 6.14 2.02 -1.99 -0.75 112.91 120.42 1szr h THR 93 Ca 0.36 -1.33 -0.20 0.00 0.77 0.00 0.00 66.41 66.02 1szr h THR 93 Cb 0.24 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1szr h THR 93 CO -0.13 0.46 -0.77 -0.33 0.37 0.00 0.00 175.52 175.12 1szr h GLU 94 N 0.85 0.48 -0.19 6.66 5.08 -1.89 -1.79 114.58 123.78 1szr h GLU 94 Ca 0.12 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1szr h GLU 94 Cb 0.74 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1szr h GLU 94 CO 0.06 1.05 0.08 0.82 -1.00 0.00 0.00 179.01 180.02 1szr h ILE 95 N 0.32 1.14 -0.99 3.13 2.04 -1.26 -2.27 117.51 119.62 1szr h ILE 95 Ca -0.04 -0.42 0.11 0.00 1.00 0.00 0.00 64.86 65.51 1szr h ILE 95 Cb 1.37 1.08 -0.08 0.00 -0.74 0.00 0.00 36.82 38.44 1szr h ILE 95 CO 0.14 0.14 0.62 -0.61 0.00 0.00 0.00 178.15 178.44 1szr h GLN 96 N 0.17 0.97 -0.27 2.37 4.15 -1.05 -1.18 115.11 120.27 1szr h GLN 96 Ca 0.06 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 1szr h GLN 96 Cb 0.14 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1szr h GLN 96 CO -0.01 0.64 -0.09 -0.09 -1.93 0.00 0.00 178.83 177.35 1szr h ARG 97 N 1.00 0.53 0.14 1.69 2.43 -1.06 -0.96 114.38 118.15 1szr h ARG 97 Ca 0.48 -0.22 -0.29 0.00 -0.81 0.00 0.00 59.98 59.15 1szr h ARG 97 Cb 0.45 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1szr h ARG 97 CO -0.26 0.76 -1.26 -0.39 -1.51 0.00 0.00 179.97 177.32 1szr h VAL 98 N 0.28 1.39 -0.44 0.20 -1.51 -1.19 -2.88 116.25 112.09 1szr h VAL 98 Ca 0.06 -2.78 0.00 0.00 -1.23 0.00 0.00 66.70 62.76 1szr h VAL 98 Cb 0.58 2.85 -0.02 0.00 -2.13 0.00 0.00 31.29 32.57 1szr h VAL 98 CO 0.03 0.82 0.29 0.03 -1.23 0.00 0.00 177.57 177.51 1szr h ARG 99 N 0.15 0.59 -0.03 5.19 2.47 -1.28 -2.85 114.38 118.62 1szr h ARG 99 Ca -0.17 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.45 1szr h ARG 99 Cb 1.95 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 30.13 1szr h ARG 99 CO 0.22 0.40 -0.26 0.78 0.56 0.00 0.00 179.97 181.67 1szr h GLY 100 N 0.62 0.06 -1.44 0.04 0.00 -0.96 -2.33 103.07 99.06 1szr h GLY 100 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1szr h GLY 100 CO -0.03 0.04 0.00 0.29 0.00 0.00 0.00 176.54 176.84 1szr n ILE 101 N -4.21 0.46 0.00 2.60 -5.35 -1.10 -4.92 119.36 106.84 1szr n ILE 101 Ca -0.02 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 1szr n ILE 101 Cb 0.33 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.62 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 1.21 0.73 3.71 3.28 0.00 -0.88 -5.07 105.19 108.17 1szr n GLY 102 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.74 0.61 1.61 1.01 -1.09 -5.01 120.40 119.27 1szr s VAL 103 Ca 0.00 1.23 -0.16 0.00 0.00 0.00 0.00 61.98 63.05 1szr s VAL 103 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1szr s VAL 103 CO 0.00 0.08 1.07 -2.16 0.00 0.00 0.00 175.10 174.09 1szr s PRO 104 N 1.34 3.17 0.60 2.72 0.04 -1.26 -4.34 135.00 137.26 1szr s PRO 104 Ca 0.61 1.26 0.32 0.00 0.04 0.00 0.00 61.00 63.23 1szr s PRO 104 Cb -0.32 -2.01 1.89 0.00 0.04 0.00 0.00 34.50 34.11 1szr s PRO 104 CO 0.29 -0.94 2.27 -1.00 0.04 0.00 0.00 177.00 177.65 1szr h PRO 105 N 0.32 0.00 0.00 0.56 0.13 -1.86 -2.24 132.00 128.91 1szr h PRO 105 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1szr h PRO 105 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1szr h PRO 105 CO 0.56 0.01 0.00 1.05 -0.23 0.00 0.00 178.00 179.39 1szr h GLU 106 N 0.00 0.00 -0.65 0.86 9.09 -1.93 -2.70 114.58 119.25 1szr h GLU 106 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1szr h GLU 106 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 1szr h GLU 106 CO 0.00 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.69 1szr n LYS 107 N -2.46 3.61 -5.10 1.06 5.02 -0.84 -4.86 118.16 114.58 1szr n LYS 107 Ca 0.04 -2.33 -0.29 0.00 -2.02 0.00 0.00 58.31 53.70 1szr n LYS 107 Cb 0.37 -1.94 -0.16 0.00 -0.02 0.00 0.00 35.03 33.28 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 -2.09 1.82 -0.04 -0.18 1.01 -1.02 -0.78 121.20 119.92 1szr s ILE 108 Ca 0.41 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 60.19 1szr s ILE 108 Cb 0.29 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 1szr s ILE 108 CO 0.15 0.51 -0.25 -0.63 0.00 0.00 0.00 174.94 174.73 1szr s ILE 109 N -0.07 2.11 -1.09 2.92 1.01 -0.63 -4.62 121.20 120.83 1szr s ILE 109 Ca -0.04 -1.07 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 1szr s ILE 109 Cb -0.13 -1.75 0.27 0.00 0.01 0.00 0.00 42.46 40.87 1szr s ILE 109 CO 0.03 0.58 1.09 -0.47 0.00 0.00 0.00 174.94 176.16 1szr s TYR 110 N -0.38 4.24 -0.80 3.97 5.04 -0.08 -1.14 117.35 128.20 1szr s TYR 110 Ca 0.03 -2.66 -0.03 0.00 -2.44 0.00 0.00 57.07 51.98 1szr s TYR 110 Cb -0.12 -3.83 0.25 0.00 0.35 0.00 0.00 41.96 38.61 1szr s TYR 110 CO 0.02 -0.95 2.23 0.00 -1.34 0.00 0.00 175.55 175.50 1szr n ALA 111 N 2.77 6.47 -3.19 3.97 0.00 -0.86 -2.57 120.51 127.10 1szr n ALA 111 Ca 0.23 -3.89 -0.37 0.00 0.00 0.00 0.00 53.44 49.41 1szr n ALA 111 Cb 0.40 -2.11 -0.13 0.00 0.00 0.00 0.00 19.45 17.61 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 -0.63 5.18 0.44 0.00 3.04 -1.26 -4.87 114.94 116.84 1szr s ASN 112 Ca 0.52 -0.84 0.21 0.00 0.04 0.00 0.00 52.86 52.80 1szr s ASN 112 Cb 0.38 -1.88 1.03 0.00 -1.54 0.00 0.00 41.25 39.24 1szr s ASN 112 CO -0.31 -0.23 1.91 -0.65 -3.04 0.00 0.00 177.10 174.78 1szr h PRO 113 N 8.23 0.00 -3.14 0.43 0.11 -1.87 -3.39 132.00 132.37 1szr h PRO 113 Ca -0.29 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.20 1szr h PRO 113 Cb 1.11 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.82 1szr h PRO 113 CO 0.61 0.25 -0.67 0.00 -0.21 0.00 0.00 178.00 177.97 1szr s LYS 115 N -0.32 3.42 0.37 0.00 1.02 -1.26 -5.08 119.74 117.89 1szr s LYS 115 Ca 0.20 -0.19 -0.28 0.00 0.02 0.00 0.00 55.97 55.71 1szr s LYS 115 Cb -0.19 -3.14 -0.11 0.00 -0.52 0.00 0.00 37.83 33.87 1szr s LYS 115 CO -0.04 0.72 1.50 -1.14 -0.92 0.00 0.00 175.35 175.47 1szr s GLN 116 N -0.88 4.11 0.20 1.68 0.74 -1.26 -4.89 119.66 119.36 1szr s GLN 116 Ca 0.14 2.58 -0.10 0.00 0.05 0.00 0.00 55.36 58.02 1szr s GLN 116 Cb -0.12 -2.97 0.25 0.00 1.10 0.00 0.00 33.01 31.27 1szr s GLN 116 CO 0.03 -0.55 1.76 0.82 -0.55 0.00 0.00 175.29 176.80 1szr h ILE 117 N 3.02 0.82 -0.47 -2.34 2.04 -1.99 -1.68 117.51 116.92 1szr h ILE 117 Ca -0.50 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 1szr h ILE 117 Cb 1.24 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1szr h ILE 117 CO 0.66 0.08 0.08 0.77 0.00 0.00 0.00 178.15 179.74 1szr h SER 118 N 0.45 0.68 -0.43 1.72 4.64 -1.99 -1.88 113.55 116.73 1szr h SER 118 Ca 0.29 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 1szr h SER 118 Cb 0.32 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1szr h SER 118 CO -0.27 0.70 0.08 0.45 -0.87 0.00 0.00 176.83 176.93 1szr h HIS 119 N 0.70 0.80 -0.50 4.77 3.86 -1.71 -1.39 115.15 121.68 1szr h HIS 119 Ca 0.15 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.20 1szr h HIS 119 Cb 0.32 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1szr h HIS 119 CO 0.02 0.70 0.01 0.82 0.86 0.00 0.00 177.93 180.33 1szr h ILE 120 N 0.74 1.26 -0.75 2.45 2.04 -0.85 -2.11 117.51 120.30 1szr h ILE 120 Ca 0.16 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 65.01 1szr h ILE 120 Cb 0.33 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1szr h ILE 120 CO 0.00 0.38 0.44 -0.09 0.00 0.00 0.00 178.15 178.88 1szr h ARG 121 N 0.74 0.78 -0.59 2.37 2.43 -1.00 -1.07 114.38 118.03 1szr h ARG 121 Ca 0.14 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 1szr h ARG 121 Cb 0.51 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1szr h ARG 121 CO 0.02 0.51 -0.01 -0.92 -1.51 0.00 0.00 179.97 178.07 1szr h TYR 122 N 0.80 1.13 -0.22 2.20 3.20 -1.08 -1.94 116.97 121.06 1szr h TYR 122 Ca 0.33 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1szr h TYR 122 Cb 0.18 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1szr h TYR 122 CO -0.06 1.00 0.07 0.00 -1.64 0.00 0.00 178.16 177.53 1szr h ALA 123 N 1.03 0.29 -0.65 1.82 0.00 -0.87 -1.76 119.26 119.12 1szr h ALA 123 Ca 0.17 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1szr h ALA 123 Cb 0.56 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1szr h ALA 123 CO 0.03 -0.08 0.25 -0.09 0.00 0.00 0.00 179.25 179.37 1szr h ARG 124 N 0.19 0.42 0.00 0.00 2.43 -1.12 0.50 114.38 116.80 1szr h ARG 124 Ca 0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1szr h ARG 124 Cb 0.24 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1szr h ARG 124 CO -0.00 0.28 0.00 -0.25 -1.51 0.00 0.00 179.97 178.49 1szr n ASP 125 N -4.98 0.66 -0.91 -3.80 8.00 -0.74 -2.27 116.55 112.52 1szr n ASP 125 Ca 0.10 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.31 1szr n ASP 125 Cb 0.30 -0.76 0.25 0.00 -0.02 0.00 0.00 41.12 40.89 1szr n ASP 125 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1szr n SER 126 N -2.15 2.76 -0.09 -2.24 7.64 -0.68 -4.96 113.62 113.90 1szr n SER 126 Ca 0.05 -1.89 -0.01 0.00 1.01 0.00 0.00 58.87 58.03 1szr n SER 126 Cb 0.36 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.43 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 1.35 0.50 3.56 0.23 0.00 -0.94 -4.70 105.19 105.19 1szr n GLY 127 Ca 0.17 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.95 4.54 -0.16 1.61 1.01 0.11 -4.65 120.40 120.91 1szr s VAL 128 Ca 0.00 0.69 0.12 0.00 0.00 0.00 0.00 61.98 62.79 1szr s VAL 128 Cb 0.00 -4.39 -0.18 0.00 0.00 0.00 0.00 36.38 31.81 1szr s VAL 128 CO 0.00 -0.77 0.01 0.47 0.00 0.00 0.00 175.10 174.81 1szr n ASP 129 N 6.99 1.42 -4.63 3.32 8.00 -1.26 -3.99 116.55 126.39 1szr n ASP 129 Ca 0.05 -0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.10 1szr n ASP 129 Cb 0.48 0.67 -0.02 0.00 -0.02 0.00 0.00 41.12 42.23 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 -2.38 4.24 0.10 2.53 1.01 -1.26 -1.40 120.40 123.25 1szr s VAL 130 Ca -0.11 1.40 0.04 0.00 0.00 0.00 0.00 61.98 63.31 1szr s VAL 130 Cb 0.05 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1szr s VAL 130 CO 0.60 -0.54 -0.11 -0.04 0.00 0.00 0.00 175.10 175.01 1szr s MET 131 N 4.07 0.88 0.39 2.72 -1.94 -0.84 -0.91 119.30 123.69 1szr s MET 131 Ca 0.53 -1.16 0.06 0.00 -1.71 0.00 0.00 55.69 53.41 1szr s MET 131 Cb -0.14 -0.65 0.00 0.00 2.01 0.00 0.00 34.83 36.05 1szr s MET 131 CO 0.22 0.11 0.55 0.95 -0.01 0.00 0.00 175.02 176.84 1szr s THR 132 N -2.26 3.56 0.06 2.05 -4.23 -1.06 -0.91 115.64 112.85 1szr s THR 132 Ca 0.05 -0.92 -0.26 0.00 -1.18 0.00 0.00 61.69 59.38 1szr s THR 132 Cb -0.04 -3.23 0.07 0.00 1.34 0.00 0.00 72.50 70.64 1szr s THR 132 CO 0.01 -0.10 0.63 0.72 -0.54 0.00 0.00 174.62 175.34 1szr s PHE 133 N -2.32 -0.58 0.00 3.99 -0.12 -0.49 -4.42 117.98 114.04 1szr s PHE 133 Ca 0.50 0.69 0.00 0.00 -0.05 0.00 0.00 56.93 58.07 1szr s PHE 133 Cb -0.10 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 1szr s PHE 133 CO 0.33 -0.73 0.65 -0.40 -0.05 0.00 0.00 175.22 175.03 1szr n ASP 134 N 0.26 0.63 -3.83 1.98 5.75 -1.26 -0.26 116.55 119.81 1szr n ASP 134 Ca -0.18 -1.31 -0.07 0.00 -0.01 0.00 0.00 54.79 53.21 1szr n ASP 134 Cb 0.61 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.68 1szr n ASP 134 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1szr h VAL 136 N 2.01 1.33 -0.71 0.00 2.07 -1.98 -3.05 116.25 115.92 1szr h VAL 136 Ca -0.21 -1.84 0.10 0.00 0.82 0.00 0.00 66.70 65.57 1szr h VAL 136 Cb 1.26 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 32.81 1szr h VAL 136 CO 0.25 0.57 0.47 0.44 0.02 0.00 0.00 177.57 179.31 1szr h ASP 137 N 0.38 0.53 -0.42 0.57 3.32 -2.00 -1.30 116.42 117.50 1szr h ASP 137 Ca 0.00 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 1szr h ASP 137 Cb 1.11 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1szr h ASP 137 CO 0.10 0.31 -0.25 -0.08 -1.72 0.00 0.00 179.24 177.61 1szr h GLU 138 N 0.58 0.93 -0.50 3.56 4.57 -1.89 -2.63 114.58 119.21 1szr h GLU 138 Ca 0.33 -0.41 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1szr h GLU 138 Cb 0.49 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 1szr h GLU 138 CO -0.11 1.07 0.20 -0.07 -1.18 0.00 0.00 179.01 178.92 1szr h LEU 139 N 0.80 0.65 -0.83 1.64 3.38 -1.30 -1.95 115.31 117.70 1szr h LEU 139 Ca 0.10 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1szr h LEU 139 Cb 0.81 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1szr h LEU 139 CO 0.07 0.60 0.18 -0.33 0.09 0.00 0.00 178.44 179.05 1szr h GLU 140 N 0.71 1.05 -0.56 1.13 5.08 -0.97 -0.02 114.58 121.01 1szr h GLU 140 Ca 0.17 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1szr h GLU 140 Cb 0.15 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1szr h GLU 140 CO -0.02 0.92 0.18 0.87 -1.00 0.00 0.00 179.01 179.96 1szr h LYS 141 N 1.00 0.86 -0.02 2.33 1.57 -1.21 -3.09 116.57 118.01 1szr h LYS 141 Ca 0.22 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 1szr h LYS 141 Cb 0.33 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1szr h LYS 141 CO -0.00 0.78 -0.58 0.28 -0.57 0.00 0.00 179.45 179.36 1szr h VAL 142 N 0.78 1.41 -0.66 0.50 2.07 -0.85 -1.95 116.25 117.54 1szr h VAL 142 Ca 0.18 -1.96 -0.08 0.00 0.82 0.00 0.00 66.70 65.65 1szr h VAL 142 Cb 0.27 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 1szr h VAL 142 CO -0.01 0.56 0.09 0.00 0.02 0.00 0.00 177.57 178.23 1szr h ALA 143 N 1.38 0.90 0.00 1.67 0.00 -1.01 0.62 119.26 122.81 1szr h ALA 143 Ca -0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1szr h ALA 143 Cb 1.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1szr h ALA 143 CO 0.08 0.67 -0.56 0.87 0.00 0.00 0.00 179.25 180.31 1szr h LYS 144 N 1.03 0.00 0.00 0.00 1.57 -1.40 -3.37 116.57 114.40 1szr h LYS 144 Ca 0.20 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.85 1szr h LYS 144 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1szr h LYS 144 CO 0.02 0.56 -1.45 2.41 -0.57 0.00 0.00 179.45 180.42 1szr n THR 145 N -3.44 0.44 -3.17 -0.16 -1.04 -0.76 -4.89 114.28 101.26 1szr n THR 145 Ca 0.00 -0.14 -0.22 0.00 -2.04 0.00 0.00 64.05 61.66 1szr n THR 145 Cb 0.67 -1.23 -0.05 0.00 -1.82 0.00 0.00 70.33 67.89 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 -3.08 -0.32 0.30 -1.42 -0.00 0.11 -4.88 115.22 105.93 1szr n HIS 146 Ca -0.15 -3.57 0.16 0.00 0.46 0.00 0.00 57.72 54.62 1szr n HIS 146 Cb 0.63 -0.29 0.92 0.00 -0.12 0.00 0.00 29.99 31.13 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 3.68 0.00 -0.43 1.57 0.13 -1.45 -2.23 132.00 133.28 1szr h PRO 147 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 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 0.46 0.02 0.00 1.63 -0.23 0.00 0.00 178.00 179.89 1szr n LYS 148 N -3.70 2.08 -1.84 0.86 5.02 -1.26 -4.55 118.16 114.77 1szr n LYS 148 Ca -0.03 -1.67 -0.38 0.00 -2.02 0.00 0.00 58.31 54.22 1szr n LYS 148 Cb 0.11 -1.38 0.04 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.43 2.70 -0.48 7.82 0.00 -0.84 -4.94 121.76 124.59 1szr s ALA 149 Ca 0.32 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.33 1szr s ALA 149 Cb 0.17 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.80 1szr s ALA 149 CO 0.23 -1.34 0.58 0.15 0.00 0.00 0.00 175.76 175.38 1szr s LYS 150 N -3.04 3.12 -0.11 0.00 3.01 -0.49 -4.10 119.74 118.13 1szr s LYS 150 Ca 0.74 -0.85 -0.12 0.00 -1.01 0.00 0.00 55.97 54.74 1szr s LYS 150 Cb -0.38 -4.06 -0.05 0.00 -1.01 0.00 0.00 37.83 32.34 1szr s LYS 150 CO 0.43 -1.12 0.26 -1.64 0.51 0.00 0.00 175.35 173.79 1szr s MET 151 N 2.49 3.91 -0.23 1.68 -1.94 -0.60 -1.99 119.30 122.63 1szr s MET 151 Ca 0.15 0.07 -0.02 0.00 -1.71 0.00 0.00 55.69 54.18 1szr s MET 151 Cb -0.19 -3.30 0.01 0.00 2.01 0.00 0.00 34.83 33.37 1szr s MET 151 CO 0.13 0.52 -0.07 0.08 -0.01 0.00 0.00 175.02 175.67 1szr s VAL 152 N -0.39 2.97 -0.29 -6.03 1.01 -0.08 -0.90 120.40 116.68 1szr s VAL 152 Ca 0.17 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1szr s VAL 152 Cb -0.13 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1szr s VAL 152 CO 0.06 0.31 1.25 -0.22 0.00 0.00 0.00 175.10 176.50 1szr s LEU 153 N 1.38 3.92 -0.01 3.92 2.96 -0.69 -1.40 118.68 128.75 1szr s LEU 153 Ca 0.03 1.22 -0.25 0.00 -0.22 0.00 0.00 54.13 54.90 1szr s LEU 153 Cb -0.15 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1szr s LEU 153 CO -0.05 -1.01 0.77 -0.60 -1.32 0.00 0.00 176.35 174.14 1szr s ARG 154 N 4.00 4.48 0.10 1.98 3.52 0.63 -0.82 118.95 132.84 1szr s ARG 154 Ca 0.54 1.03 0.08 0.00 -0.13 0.00 0.00 55.73 57.25 1szr s ARG 154 Cb -0.16 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1szr s ARG 154 CO 0.21 0.13 -0.14 0.96 -0.81 0.00 0.00 175.30 175.65 1szr s ILE 155 N 0.51 3.09 0.52 4.11 -4.36 -0.17 -1.34 121.20 123.55 1szr s ILE 155 Ca 0.40 -1.34 -0.21 0.00 -0.26 0.00 0.00 60.65 59.24 1szr s ILE 155 Cb -0.19 -2.41 -0.06 0.00 1.25 0.00 0.00 42.46 41.05 1szr s ILE 155 CO 0.21 0.14 1.23 -0.55 0.24 0.00 0.00 174.94 176.21 1szr s SER 156 N -2.06 5.67 -0.00 4.36 0.15 -0.39 -4.48 113.70 116.95 1szr s SER 156 Ca 0.19 2.45 0.06 0.00 0.70 0.00 0.00 55.95 59.35 1szr s SER 156 Cb -0.11 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.52 1szr s SER 156 CO 0.11 -1.27 0.23 0.35 1.20 0.00 0.00 173.24 173.85 1szr n THR 157 N -0.94 0.00 0.00 6.45 -2.24 -1.26 -4.91 114.28 111.39 1szr n THR 157 Ca 0.10 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1szr n THR 157 Cb 0.48 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1szr n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1szr n GLY 171 N 1.44 2.74 3.76 3.38 0.00 -1.26 -5.13 105.19 110.12 1szr n GLY 171 Ca 0.00 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 3.43 0.46 4.61 0.00 -0.45 -4.87 121.76 124.94 1szr s ALA 172 Ca 0.00 0.97 -0.23 0.00 0.00 0.00 0.00 51.96 52.70 1szr s ALA 172 Cb 0.00 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 1szr s ALA 172 CO 0.00 -0.25 1.20 0.15 0.00 0.00 0.00 175.76 176.86 1szr s LYS 173 N -1.52 3.71 0.53 0.00 1.02 -1.26 -1.26 119.74 120.97 1szr s LYS 173 Ca 0.45 1.86 0.20 0.00 0.02 0.00 0.00 55.97 58.50 1szr s LYS 173 Cb -0.33 -2.43 1.32 0.00 -0.52 0.00 0.00 37.83 35.87 1szr s LYS 173 CO 0.43 -0.61 2.10 -0.39 -0.92 0.00 0.00 175.35 175.96 1szr h VAL 174 N 1.89 0.89 -0.19 3.17 -1.51 -1.95 -1.58 116.25 116.97 1szr h VAL 174 Ca -0.49 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 64.88 1szr h VAL 174 Cb 1.25 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 1szr h VAL 174 CO 0.60 0.00 -0.32 -0.33 -1.23 0.00 0.00 177.57 176.29 1szr h GLU 175 N 0.00 0.38 0.00 5.19 3.07 -2.03 -2.84 114.58 118.34 1szr h GLU 175 Ca 0.09 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1szr h GLU 175 Cb 0.37 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1szr h GLU 175 CO -0.00 0.66 -0.21 -0.44 -1.40 0.00 0.00 179.01 177.62 1szr h ASP 176 N 0.33 0.00 0.42 1.42 3.32 -1.68 -3.38 116.42 116.85 1szr h ASP 176 Ca 0.04 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1szr h ASP 176 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1szr h ASP 176 CO 0.06 0.03 -0.25 0.00 -1.72 0.00 0.00 179.24 177.36 1szr h ARG 178 N 0.00 -0.54 -0.60 0.00 2.43 -1.75 -2.06 114.38 111.85 1szr h ARG 178 Ca -0.00 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1szr h ARG 178 Cb 0.53 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 1szr h ARG 178 CO 0.03 -0.26 0.40 0.35 -1.51 0.00 0.00 179.97 178.98 1szr h PHE 179 N -0.75 0.63 -0.36 2.20 3.57 -1.79 -1.82 116.94 118.61 1szr h PHE 179 Ca -0.06 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.33 1szr h PHE 179 Cb 0.52 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1szr h PHE 179 CO -0.00 0.35 -0.29 0.82 -2.23 0.00 0.00 178.31 176.96 1szr h ILE 180 N 0.64 1.28 -0.10 1.41 2.04 -1.30 -2.35 117.51 119.14 1szr h ILE 180 Ca 0.25 -1.45 -0.13 0.00 1.00 0.00 0.00 64.86 64.53 1szr h ILE 180 Cb 0.20 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1szr h ILE 180 CO -0.07 0.48 -0.52 -0.07 0.00 0.00 0.00 178.15 177.96 1szr h LEU 181 N 0.63 0.30 -0.56 1.44 3.38 -1.00 -1.75 115.31 117.74 1szr h LEU 181 Ca 0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1szr h LEU 181 Cb 0.86 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1szr h LEU 181 CO 0.08 0.77 0.21 -0.33 0.09 0.00 0.00 178.44 179.25 1szr h GLU 182 N 0.21 0.85 -0.01 1.13 5.08 -1.26 -1.44 114.58 119.14 1szr h GLU 182 Ca 0.01 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1szr h GLU 182 Cb 0.99 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1szr h GLU 182 CO 0.08 0.74 -0.49 1.96 -1.00 0.00 0.00 179.01 180.30 1szr h GLN 183 N 0.77 0.04 -0.29 2.33 1.08 -1.29 -2.70 115.11 115.05 1szr h GLN 183 Ca 0.19 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.25 1szr h GLN 183 Cb 0.22 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1szr h GLN 183 CO -0.01 0.52 -0.31 0.00 -0.95 0.00 0.00 178.83 178.08 1szr h ALA 184 N 1.47 0.91 -0.57 3.87 0.00 -1.00 -2.64 119.26 121.31 1szr h ALA 184 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1szr h ALA 184 Cb 0.89 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1szr h ALA 184 CO 0.07 0.62 0.19 -0.22 0.00 0.00 0.00 179.25 179.91 1szr h LYS 185 N 0.52 0.87 -0.24 0.00 1.63 -1.02 -1.23 116.57 117.10 1szr h LYS 185 Ca 0.06 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 1szr h LYS 185 Cb 0.80 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 1szr h LYS 185 CO 0.07 0.78 0.06 0.87 -3.45 0.00 0.00 179.45 177.78 1szr h LYS 186 N 0.79 0.34 -0.01 1.90 1.57 -1.36 -1.93 116.57 117.87 1szr h LYS 186 Ca 0.18 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1szr h LYS 186 Cb 0.26 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1szr h LYS 186 CO -0.01 0.32 -0.16 1.28 -0.57 0.00 0.00 179.45 180.32 1szr n LEU 187 N -4.40 0.84 -2.92 2.94 4.77 -0.97 -4.94 117.00 112.32 1szr n LEU 187 Ca 0.01 -0.18 -0.21 0.00 -0.03 0.00 0.00 56.01 55.59 1szr n LEU 187 Cb 0.15 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1szr n LEU 187 CO 0.36 0.15 0.02 -3.20 -1.33 0.00 0.00 177.39 173.39 1szr n ASN 188 N -0.67 -5.97 -4.75 -1.43 5.15 -0.57 -4.97 115.26 102.05 1szr n ASN 188 Ca 0.14 -0.29 -0.40 0.00 -0.60 0.00 0.00 54.58 53.43 1szr n ASN 188 Cb 0.31 -4.77 -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 -3.17 3.81 -1.24 -1.44 -1.09 -0.57 -4.97 121.20 112.53 1szr s ILE 189 Ca 0.31 1.73 -0.16 0.00 -2.23 0.00 0.00 60.65 60.30 1szr s ILE 189 Cb -0.14 -4.10 0.12 0.00 -1.58 0.00 0.00 42.46 36.76 1szr s ILE 189 CO 0.38 0.37 1.58 -0.62 -1.23 0.00 0.00 174.94 175.42 1szr s ASP 190 N -0.70 6.93 -0.09 3.58 2.15 -1.26 -4.77 116.67 122.51 1szr s ASP 190 Ca 0.45 -2.66 -0.30 0.00 0.43 0.00 0.00 52.55 50.47 1szr s ASP 190 Cb -0.29 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 39.80 1szr s ASP 190 CO 0.36 -0.98 1.33 -0.69 -0.17 0.00 0.00 175.17 175.02 1szr s VAL 191 N 2.99 4.05 0.00 1.11 1.01 -1.26 -1.55 120.40 126.75 1szr s VAL 191 Ca 0.48 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.80 1szr s VAL 191 Cb 0.01 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1szr s VAL 191 CO 0.03 -0.07 0.74 0.35 0.00 0.00 0.00 175.10 176.16 1szr n THR 192 N 5.07 0.53 -3.87 3.92 -2.24 -0.08 -3.85 114.28 113.76 1szr n THR 192 Ca 0.14 -0.70 0.01 0.00 -2.27 0.00 0.00 64.05 61.23 1szr n THR 192 Cb 0.45 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.27 0.55 2.94 3.38 0.00 -1.21 -0.40 105.19 110.18 1szr n GLY 193 Ca 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.13 0.27 0.20 1.61 1.01 -0.51 -1.71 120.40 119.14 1szr s VAL 194 Ca 0.10 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1szr s VAL 194 Cb -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 1szr s VAL 194 CO -0.00 0.03 -0.04 -0.94 0.00 0.00 0.00 175.10 174.15 1szr s SER 195 N -0.21 1.82 0.16 3.32 1.04 -0.00 -0.82 113.70 119.01 1szr s SER 195 Ca 0.00 -1.14 -0.14 0.00 0.48 0.00 0.00 55.95 55.15 1szr s SER 195 Cb -0.02 0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.12 1szr s SER 195 CO -0.00 -0.44 0.40 0.72 0.98 0.00 0.00 173.24 174.90 1szr s PHE 196 N -3.38 0.03 -0.18 5.02 -0.12 -0.62 -1.00 117.98 117.73 1szr s PHE 196 Ca 0.24 -0.38 -0.04 0.00 -0.05 0.00 0.00 56.93 56.70 1szr s PHE 196 Cb 0.04 0.20 0.06 0.00 -0.63 0.00 0.00 43.02 42.69 1szr s PHE 196 CO 0.06 -0.78 0.06 -1.58 -0.05 0.00 0.00 175.22 172.92 1szr s HIS 197 N -3.88 0.70 0.14 3.49 2.46 -1.26 -2.28 115.29 114.65 1szr s HIS 197 Ca 0.10 -0.63 -0.08 0.00 0.47 0.00 0.00 55.06 54.91 1szr s HIS 197 Cb 0.01 -0.89 -0.05 0.00 -0.13 0.00 0.00 32.58 31.52 1szr s HIS 197 CO -0.05 -0.57 1.39 0.28 -2.47 0.00 0.00 174.74 173.33 1szr h VAL 198 N 6.48 1.30 0.00 0.89 2.07 -1.84 -3.43 116.25 121.72 1szr h VAL 198 Ca -0.16 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1szr h VAL 198 Cb 1.13 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1szr h VAL 198 CO 0.32 0.60 0.00 0.61 0.02 0.00 0.00 177.57 179.12 1szr n GLY 199 N 0.52 0.12 0.03 2.17 0.00 -1.25 -4.76 105.19 102.03 1szr n GLY 199 Ca -0.05 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.51 0.60 -2.04 1.61 3.41 -1.26 -4.34 113.62 111.09 1szr n SER 200 Ca 0.00 -0.07 -0.18 0.00 -0.26 0.00 0.00 58.87 58.36 1szr n SER 200 Cb 0.00 0.28 -0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 1.41 4.03 3.67 5.00 0.00 -1.26 -4.93 105.19 113.11 1szr n GLY 201 Ca 0.04 -1.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1szr n GLY 201 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1szr s SER 202 N 0.42 6.56 -0.08 1.61 0.01 -1.26 -4.94 113.70 116.01 1szr s SER 202 Ca 0.39 0.67 0.03 0.00 1.31 0.00 0.00 55.95 58.35 1szr s SER 202 Cb 0.27 -2.28 -0.25 0.00 0.21 0.00 0.00 66.02 63.97 1szr s SER 202 CO -0.06 -0.15 0.51 0.35 0.41 0.00 0.00 173.24 174.29 1szr n THR 203 N 4.44 1.69 -5.04 1.44 -2.24 -1.26 -4.72 114.28 108.59 1szr n THR 203 Ca -0.05 -0.73 -0.32 0.00 -2.27 0.00 0.00 64.05 60.68 1szr n THR 203 Cb 0.51 -1.38 -0.14 0.00 -2.10 0.00 0.00 70.33 67.22 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 -6.55 3.63 0.00 3.42 3.68 -1.26 -4.81 116.67 114.77 1szr s ASP 204 Ca -0.14 -0.32 0.19 0.00 2.13 0.00 0.00 52.55 54.41 1szr s ASP 204 Cb 0.07 -0.63 0.91 0.00 -1.45 0.00 0.00 42.92 41.82 1szr s ASP 204 CO 0.80 0.33 1.57 0.00 0.13 0.00 0.00 175.17 178.00 1szr n ALA 205 N 2.30 1.96 0.33 3.66 0.00 -1.26 -3.33 120.51 124.17 1szr n ALA 205 Ca -0.17 -0.08 0.21 0.00 0.00 0.00 0.00 53.44 53.40 1szr n ALA 205 Cb 0.52 -1.30 1.12 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.76 0.00 4.64 -1.99 -2.12 113.55 113.32 1szr h SER 206 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1szr h SER 206 Cb 0.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1szr h SER 206 CO 0.00 0.00 0.29 0.74 -0.87 0.00 0.00 176.83 176.99 1szr h THR 207 N 0.00 1.26 -0.35 2.95 2.02 -1.99 -1.72 112.91 115.07 1szr h THR 207 Ca 0.00 -0.83 -0.08 0.00 0.77 0.00 0.00 66.41 66.28 1szr h THR 207 Cb 0.09 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1szr h THR 207 CO -0.00 0.33 -0.09 -0.26 0.37 0.00 0.00 175.52 175.88 1szr h PHE 208 N 1.10 0.77 -0.79 3.16 0.04 -1.66 -2.18 116.94 117.38 1szr h PHE 208 Ca 0.25 -0.17 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 1szr h PHE 208 Cb 0.24 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 1szr h PHE 208 CO 0.02 0.84 0.30 0.00 -0.60 0.00 0.00 178.31 178.87 1szr h ALA 209 N 0.82 1.04 -0.50 2.45 0.00 -1.51 -1.56 119.26 120.00 1szr h ALA 209 Ca 0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1szr h ALA 209 Cb 0.60 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1szr h ALA 209 CO 0.04 0.67 0.02 0.37 0.00 0.00 0.00 179.25 180.34 1szr h GLN 210 N 1.15 0.87 -0.20 0.00 5.75 -1.28 -2.40 115.11 119.01 1szr h GLN 210 Ca 0.26 -0.27 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 1szr h GLN 210 Cb 0.24 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1szr h GLN 210 CO -0.02 0.90 -0.31 0.00 -2.65 0.00 0.00 178.83 176.75 1szr h ALA 211 N 0.94 1.11 -0.30 3.38 0.00 -1.16 -1.68 119.26 121.56 1szr h ALA 211 Ca 0.14 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1szr h ALA 211 Cb 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1szr h ALA 211 CO 0.02 0.56 -0.42 0.82 0.00 0.00 0.00 179.25 180.23 1szr h ILE 212 N 0.34 1.29 -0.23 0.00 2.04 -1.18 -0.49 117.51 119.28 1szr h ILE 212 Ca 0.05 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.29 1szr h ILE 212 Cb 0.72 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1szr h ILE 212 CO 0.05 0.52 0.08 -1.28 0.00 0.00 0.00 178.15 177.52 1szr h SER 213 N 0.59 0.33 -0.65 1.72 0.87 -1.16 -1.89 113.55 113.37 1szr h SER 213 Ca 0.04 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 1szr h SER 213 Cb 0.97 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1szr h SER 213 CO 0.09 0.43 0.38 0.44 -0.53 0.00 0.00 176.83 177.64 1szr h ASP 214 N 0.22 0.80 -0.63 6.23 3.32 -1.27 -2.71 116.42 122.37 1szr h ASP 214 Ca 0.08 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1szr h ASP 214 Cb 0.21 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1szr h ASP 214 CO -0.00 0.63 0.24 0.28 -1.72 0.00 0.00 179.24 178.66 1szr h SER 215 N 0.91 0.89 -0.85 6.45 0.02 -0.75 -2.23 113.55 117.99 1szr h SER 215 Ca 0.24 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1szr h SER 215 Cb -0.01 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.25 1szr h SER 215 CO -0.04 0.83 0.56 -0.09 -1.14 0.00 0.00 176.83 176.95 1szr h ARG 216 N 0.89 1.05 -0.65 3.45 9.65 -1.05 0.15 114.38 127.88 1szr h ARG 216 Ca 0.21 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.95 1szr h ARG 216 Cb 0.23 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 1szr h ARG 216 CO -0.01 0.69 0.11 0.35 2.80 0.00 0.00 179.97 183.91 1szr h PHE 217 N 1.08 1.13 -0.02 2.20 3.57 -1.14 -1.25 116.94 122.52 1szr h PHE 217 Ca 0.33 -0.16 -0.19 0.00 3.53 0.00 0.00 57.97 61.49 1szr h PHE 217 Cb -0.02 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 1szr h PHE 217 CO -0.00 0.96 -0.81 0.28 -2.23 0.00 0.00 178.31 176.51 1szr h VAL 218 N 0.98 1.45 -0.27 1.41 2.07 -1.08 -2.90 116.25 117.91 1szr h VAL 218 Ca 0.20 -2.42 0.01 0.00 0.82 0.00 0.00 66.70 65.31 1szr h VAL 218 Cb 0.43 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1szr h VAL 218 CO 0.01 0.71 0.16 0.15 0.02 0.00 0.00 177.57 178.62 1szr h PHE 219 N 0.15 0.30 -0.12 1.57 3.57 -0.40 -1.52 116.94 120.49 1szr h PHE 219 Ca -0.04 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 1szr h PHE 219 Cb 1.40 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1szr h PHE 219 CO 0.03 0.18 -0.30 -0.44 -2.23 0.00 0.00 178.31 175.55 1szr h ASP 220 N 0.33 0.23 -0.66 0.41 3.32 -1.27 -2.05 116.42 116.73 1szr h ASP 220 Ca 0.11 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1szr h ASP 220 Cb -0.01 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1szr h ASP 220 CO -0.05 0.53 0.10 0.24 -1.72 0.00 0.00 179.24 178.34 1szr h MET 221 N 0.20 1.09 -0.27 3.56 2.86 -1.25 -1.54 114.93 119.58 1szr h MET 221 Ca 0.03 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1szr h MET 221 Cb 0.65 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1szr h MET 221 CO 0.05 1.01 0.09 0.78 1.06 0.00 0.00 176.91 179.90 1szr h GLY 222 N 1.01 0.45 0.96 8.32 0.00 -0.78 -2.52 103.07 110.50 1szr h GLY 222 Ca 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1szr h GLY 222 CO 0.01 0.24 0.12 -0.84 0.00 0.00 0.00 176.54 176.08 1szr h THR 223 N 0.28 1.10 -0.89 4.70 2.02 -1.32 -1.56 112.91 117.24 1szr h THR 223 Ca 0.09 -0.25 0.15 0.00 0.77 0.00 0.00 66.41 67.17 1szr h THR 223 Cb 0.23 0.90 -0.10 0.00 -1.74 0.00 0.00 68.15 67.44 1szr h THR 223 CO -0.00 0.09 0.49 -0.08 0.37 0.00 0.00 175.52 176.39 1szr h GLU 224 N 0.24 0.67 -0.00 6.66 4.81 -1.24 -1.52 114.58 124.20 1szr h GLU 224 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1szr h GLU 224 Cb 0.05 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1szr h GLU 224 CO -0.01 0.44 -0.04 1.28 -0.73 0.00 0.00 179.01 179.95 1szr n LEU 225 N -4.82 0.09 0.00 1.64 4.77 -0.96 -4.91 117.00 112.81 1szr n LEU 225 Ca 0.18 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1szr n LEU 225 Cb 0.45 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1szr n LEU 225 CO 0.22 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1szr n GLY 226 N 1.35 1.12 3.83 -0.72 0.00 -0.57 -5.05 105.19 105.14 1szr n GLY 226 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 3.35 -1.04 1.61 0.40 -0.62 -5.00 117.98 114.68 1szr s PHE 227 Ca 0.00 1.57 -0.17 0.00 -0.60 0.00 0.00 56.93 57.73 1szr s PHE 227 Cb 0.00 -2.83 0.15 0.00 0.51 0.00 0.00 43.02 40.85 1szr s PHE 227 CO 0.00 -0.19 1.24 1.21 0.70 0.00 0.00 175.22 178.19 1szr s ASN 228 N -2.44 6.81 -0.23 1.36 2.47 -1.25 -4.28 114.94 117.39 1szr s ASN 228 Ca 0.61 -2.45 -0.27 0.00 0.42 0.00 0.00 52.86 51.17 1szr s ASN 228 Cb -0.09 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 1szr s ASN 228 CO 0.18 -0.92 0.95 -0.04 -3.72 0.00 0.00 177.10 173.55 1szr s MET 229 N 2.16 4.24 0.00 0.43 -1.94 -1.26 -4.24 119.30 118.69 1szr s MET 229 Ca 0.36 1.19 0.00 0.00 -1.71 0.00 0.00 55.69 55.54 1szr s MET 229 Cb -0.04 -3.63 0.00 0.00 2.01 0.00 0.00 34.83 33.17 1szr s MET 229 CO -0.06 -0.56 0.05 -2.39 -0.01 0.00 0.00 175.02 172.06 1szr n HIS 230 N 6.09 0.00 -4.44 -0.03 -0.00 0.47 -4.91 115.22 112.39 1szr n HIS 230 Ca 0.09 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.55 1szr n HIS 230 Cb 0.47 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.30 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 1.20 -0.18 0.61 1.01 -0.04 -1.44 121.20 122.37 1szr s ILE 231 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 1szr s ILE 231 Cb 0.00 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1szr s ILE 231 CO 0.00 0.38 -0.06 -0.22 0.00 0.00 0.00 174.94 175.03 1szr s LEU 232 N 0.91 2.96 -0.25 2.97 2.96 -0.83 -1.42 118.68 125.98 1szr s LEU 232 Ca -0.09 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1szr s LEU 232 Cb -0.15 -1.72 0.05 0.00 0.50 0.00 0.00 46.19 44.87 1szr s LEU 232 CO 0.01 0.09 -0.10 -0.62 -1.32 0.00 0.00 176.35 174.41 1szr s ASP 233 N 0.82 4.33 -0.05 3.68 -1.08 0.00 -0.66 116.67 123.72 1szr s ASP 233 Ca -0.02 -1.22 0.17 0.00 -0.52 0.00 0.00 52.55 50.96 1szr s ASP 233 Cb -0.15 -1.58 0.57 0.00 -1.46 0.00 0.00 42.92 40.30 1szr s ASP 233 CO 0.01 -0.17 1.47 2.30 0.52 0.00 0.00 175.17 179.30 1szr n ILE 234 N 4.51 1.15 -4.43 4.11 -5.35 0.02 -1.58 119.36 117.78 1szr n ILE 234 Ca -0.15 -0.89 0.00 0.00 -0.27 0.00 0.00 62.75 61.44 1szr n ILE 234 Cb 0.44 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 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 1.25 -0.27 0.00 3.28 0.00 -0.97 -4.71 105.19 103.77 1szr n GLY 235 Ca 0.21 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 7.75 0.00 -0.02 0.00 -1.23 -0.92 105.19 110.77 1szr n GLY 236 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 5.00 0.93 3.77 -0.02 0.00 -1.26 -3.84 105.19 109.76 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 3.08 0.33 1.61 0.40 -1.26 -4.29 117.98 115.84 1szr s PHE 238 Ca 0.00 1.48 -0.28 0.00 -0.60 0.00 0.00 56.93 57.53 1szr s PHE 238 Cb 0.00 -3.57 -0.10 0.00 0.51 0.00 0.00 43.02 39.86 1szr s PHE 238 CO 0.00 -1.62 1.20 -1.25 0.70 0.00 0.00 175.22 174.25 1szr s PRO 239 N -1.93 4.38 -0.04 0.24 0.04 -1.26 -3.64 135.00 132.80 1szr s PRO 239 Ca 0.51 1.97 0.08 0.00 0.04 0.00 0.00 61.00 63.61 1szr s PRO 239 Cb -0.37 -3.01 0.20 0.00 0.04 0.00 0.00 34.50 31.36 1szr s PRO 239 CO 0.48 -0.07 1.15 0.41 0.04 0.00 0.00 177.00 179.01 1szr n GLY 240 N 0.90 3.35 3.42 0.56 0.00 -1.26 -4.56 105.19 107.60 1szr n GLY 240 Ca 0.01 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.52 1.35 -0.55 2.61 -4.23 -1.26 -2.90 115.64 109.14 1szr s THR 241 Ca 0.17 -2.05 0.24 0.00 -1.18 0.00 0.00 61.69 58.87 1szr s THR 241 Cb 0.12 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.55 1szr s THR 241 CO 0.06 -0.18 1.48 0.03 -0.54 0.00 0.00 174.62 175.47 1szr h ARG 242 N 2.23 0.00 -0.16 3.99 3.08 -2.01 -3.34 114.38 118.18 1szr h ARG 242 Ca -0.40 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.52 1szr h ARG 242 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1szr h ARG 242 CO 0.68 0.00 -0.45 -0.44 -1.07 0.00 0.00 179.97 178.69 1szr h ASP 243 N 0.00 0.41 -2.55 7.04 5.19 -2.02 -3.46 116.42 121.02 1szr h ASP 243 Ca 0.00 -0.19 -0.60 0.00 -0.62 0.00 0.00 57.03 55.62 1szr h ASP 243 Cb 0.84 -0.11 0.09 0.00 0.18 0.00 0.00 39.33 40.33 1szr h ASP 243 CO 0.00 0.80 0.40 0.00 -3.12 0.00 0.00 179.24 177.32 1szr n ALA 244 N -2.49 0.38 -0.03 3.45 0.00 -1.26 -4.92 120.51 115.64 1szr n ALA 244 Ca -0.02 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 1szr n ALA 244 Cb 0.52 -2.15 -0.09 0.00 0.00 0.00 0.00 19.45 17.73 1szr n ALA 244 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1szr h PRO 245 N 3.24 0.17 -5.82 0.00 0.13 -1.95 -3.41 132.00 124.35 1szr h PRO 245 Ca -0.43 -0.10 -0.62 0.00 -0.87 0.00 0.00 66.00 63.98 1szr h PRO 245 Cb 1.31 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.33 1szr h PRO 245 CO 0.69 0.65 0.39 -1.17 -0.23 0.00 0.00 178.00 178.33 1szr s LEU 246 N -9.08 4.17 0.56 1.56 2.96 -1.26 -5.03 118.68 112.57 1szr s LEU 246 Ca -0.15 0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.72 1szr s LEU 246 Cb 0.03 -3.01 -0.06 0.00 0.50 0.00 0.00 46.19 43.65 1szr s LEU 246 CO 0.72 -0.85 1.01 -0.54 -1.32 0.00 0.00 176.35 175.36 1szr s LYS 247 N 3.26 3.76 0.34 1.98 -0.14 -1.26 -4.77 119.74 122.91 1szr s LYS 247 Ca 0.31 0.88 0.05 0.00 -1.36 0.00 0.00 55.97 55.85 1szr s LYS 247 Cb -0.12 -2.11 0.63 0.00 -1.68 0.00 0.00 37.83 34.55 1szr s LYS 247 CO 0.21 -0.43 1.90 0.35 -0.76 0.00 0.00 175.35 176.61 1szr h PHE 248 N 0.36 0.55 -0.27 3.18 3.57 -1.94 -2.45 116.94 119.94 1szr h PHE 248 Ca -0.46 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 60.96 1szr h PHE 248 Cb 1.19 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1szr h PHE 248 CO 0.64 0.51 0.02 0.93 -2.23 0.00 0.00 178.31 178.19 1szr h GLU 249 N 0.52 0.46 -0.00 1.11 3.07 -1.99 -1.22 114.58 116.53 1szr h GLU 249 Ca 0.12 -0.14 -0.15 0.00 -0.50 0.00 0.00 59.36 58.69 1szr h GLU 249 Cb 0.28 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1szr h GLU 249 CO 0.00 0.60 -0.71 1.05 -1.40 0.00 0.00 179.01 178.55 1szr h GLU 250 N 0.25 0.01 -0.18 2.33 4.11 -1.95 -2.51 114.58 116.64 1szr h GLU 250 Ca 0.08 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 1szr h GLU 250 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1szr h GLU 250 CO 0.01 0.72 0.10 0.82 0.07 0.00 0.00 179.01 180.73 1szr h ILE 251 N 0.01 1.11 -0.56 -1.06 2.04 -1.31 -2.62 117.51 115.12 1szr h ILE 251 Ca -0.01 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1szr h ILE 251 Cb 1.26 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1szr h ILE 251 CO 0.09 0.10 0.35 0.00 0.00 0.00 0.00 178.15 178.69 1szr h ALA 252 N 0.98 1.57 -0.43 1.87 0.00 -1.13 -1.09 119.26 121.02 1szr h ALA 252 Ca 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1szr h ALA 252 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1szr h ALA 252 CO -0.01 0.39 0.11 0.78 0.00 0.00 0.00 179.25 180.52 1szr h GLY 253 N 0.78 0.74 1.87 0.00 0.00 -1.26 -0.06 103.07 105.14 1szr h GLY 253 Ca 0.20 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 1szr h GLY 253 CO -0.04 0.43 -0.52 -2.08 0.00 0.00 0.00 176.54 174.33 1szr h VAL 254 N 0.56 1.36 -0.22 4.60 2.07 -1.11 -2.39 116.25 121.12 1szr h VAL 254 Ca 0.14 -1.79 -0.06 0.00 0.82 0.00 0.00 66.70 65.81 1szr h VAL 254 Cb 0.31 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1szr h VAL 254 CO 0.00 0.52 -0.10 0.40 0.02 0.00 0.00 177.57 178.41 1szr h ILE 255 N 0.11 1.30 -0.77 4.57 2.04 -0.95 -2.45 117.51 121.36 1szr h ILE 255 Ca 0.00 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 1szr h ILE 255 Cb 0.96 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1szr h ILE 255 CO 0.08 0.36 0.36 0.78 0.00 0.00 0.00 178.15 179.72 1szr h ASN 256 N 0.16 1.02 -0.36 1.72 -0.26 -0.96 -0.59 115.58 116.32 1szr h ASN 256 Ca 0.05 -0.14 -0.03 0.00 -0.56 0.00 0.00 56.30 55.62 1szr h ASN 256 Cb 0.59 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 1szr h ASN 256 CO 0.03 0.88 0.11 0.78 -1.06 0.00 0.00 177.43 178.17 1szr h ASN 257 N 1.10 0.53 0.42 5.81 4.21 -1.44 -0.58 115.58 125.63 1szr h ASN 257 Ca 0.26 -0.21 -0.06 0.00 1.21 0.00 0.00 56.30 57.51 1szr h ASN 257 Cb 0.14 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1szr h ASN 257 CO -0.03 0.59 -0.28 0.00 -1.29 0.00 0.00 177.43 176.42 1szr h ALA 258 N 0.95 1.34 -0.03 -0.83 0.00 -1.27 -1.94 119.26 117.48 1szr h ALA 258 Ca 0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1szr h ALA 258 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1szr h ALA 258 CO -0.00 0.35 -0.12 -0.07 0.00 0.00 0.00 179.25 179.41 1szr h LEU 259 N 0.00 0.16 -0.50 0.00 4.07 -0.68 -1.00 115.31 117.36 1szr h LEU 259 Ca -0.00 -0.63 0.06 0.00 0.08 0.00 0.00 57.88 57.39 1szr h LEU 259 Cb 0.56 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 42.20 1szr h LEU 259 CO 0.04 0.76 0.19 -0.08 -1.08 0.00 0.00 178.44 178.27 1szr h GLU 260 N -0.43 0.37 0.09 1.13 4.57 -1.06 0.40 114.58 119.65 1szr h GLU 260 Ca -0.01 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1szr h GLU 260 Cb 0.75 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1szr h GLU 260 CO 0.02 0.24 -0.04 -0.22 -1.18 0.00 0.00 179.01 177.83 1szr h LYS 261 N 0.38 -0.12 0.00 1.92 3.64 -1.34 -3.31 116.57 117.74 1szr h LYS 261 Ca 0.24 0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 59.29 1szr h LYS 261 Cb 0.24 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 1szr h LYS 261 CO -0.23 0.10 -2.27 0.72 -2.27 0.00 0.00 179.45 175.50 1szr n HIS 262 N -5.05 0.00 -3.12 1.91 8.25 -0.38 -4.70 115.22 112.13 1szr n HIS 262 Ca -0.08 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.13 1szr n HIS 262 Cb 0.16 -0.89 -0.05 0.00 1.12 0.00 0.00 29.99 30.33 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 2.81 -1.29 4.41 3.01 0.14 -4.96 117.46 118.70 1szr n PHE 263 Ca -0.34 -3.96 -0.33 0.00 1.01 0.00 0.00 57.45 53.83 1szr n PHE 263 Cb 1.03 -0.48 0.10 0.00 -0.01 0.00 0.00 39.48 40.12 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 -2.84 1.97 0.17 -1.08 0.04 -1.04 -4.53 135.00 127.69 1szr s PRO 264 Ca 0.44 1.62 -0.32 0.00 0.04 0.00 0.00 61.00 62.78 1szr s PRO 264 Cb 0.26 -1.83 -0.16 0.00 0.04 0.00 0.00 34.50 32.80 1szr s PRO 264 CO -0.10 -1.93 1.02 -2.30 0.04 0.00 0.00 177.00 173.73 1szr n PRO 265 N -3.10 0.85 -3.64 0.56 -0.02 -1.26 -4.99 135.00 123.40 1szr n PRO 265 Ca 0.12 0.30 -0.06 0.00 -2.02 0.00 0.00 63.50 61.84 1szr n PRO 265 Cb 0.51 -1.70 -0.07 0.00 -0.02 0.00 0.00 33.50 32.22 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 -0.25 -0.94 0.50 2.55 -1.08 -1.26 -5.06 116.67 111.13 1szr s ASP 266 Ca 0.72 1.48 0.24 0.00 -0.52 0.00 0.00 52.55 54.47 1szr s ASP 266 Cb -0.89 1.47 1.34 0.00 -1.46 0.00 0.00 42.92 43.37 1szr s ASP 266 CO 0.54 -0.23 2.05 -0.07 0.52 0.00 0.00 175.17 177.98 1szr h LEU 267 N 7.15 0.00 0.00 -1.34 3.38 -2.03 -1.44 115.31 121.02 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 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1szr h LEU 267 CO 0.16 0.14 -0.06 0.11 0.09 0.00 0.00 178.44 178.88 1szr h LYS 268 N 0.00 0.00 -5.31 1.13 1.79 -1.97 -3.45 116.57 108.75 1szr h LYS 268 Ca -0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1szr h LYS 268 Cb 0.35 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.88 1szr h LYS 268 CO 0.02 0.00 -0.40 -1.17 -1.08 0.00 0.00 179.45 176.82 1szr s LEU 269 N -4.81 4.19 -0.16 2.94 2.96 -0.54 -4.63 118.68 118.62 1szr s LEU 269 Ca 0.10 0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 54.33 1szr s LEU 269 Cb 0.11 -2.24 -0.00 0.00 0.50 0.00 0.00 46.19 44.56 1szr s LEU 269 CO 0.62 0.09 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.72 1szr s THR 270 N 0.70 2.80 -0.13 3.68 2.01 -0.52 -4.74 115.64 119.44 1szr s THR 270 Ca 0.12 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.30 1szr s THR 270 Cb -0.13 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 1szr s THR 270 CO 0.03 0.51 0.19 -0.63 -0.69 0.00 0.00 174.62 174.03 1szr s ILE 271 N 0.81 5.40 0.02 1.82 -1.09 -1.26 -1.96 121.20 124.95 1szr s ILE 271 Ca -0.05 0.33 -0.02 0.00 -2.23 0.00 0.00 60.65 58.68 1szr s ILE 271 Cb -0.15 -3.48 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1szr s ILE 271 CO 0.00 0.54 0.00 -0.69 -1.23 0.00 0.00 174.94 173.57 1szr s VAL 272 N -0.52 0.13 0.18 2.92 1.01 0.16 -1.44 120.40 122.83 1szr s VAL 272 Ca 0.15 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1szr s VAL 272 Cb -0.12 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1szr s VAL 272 CO 0.04 -0.57 0.07 0.00 0.00 0.00 0.00 175.10 174.63 1szr s ALA 273 N -1.95 1.20 -0.50 5.51 0.00 -0.56 -0.80 121.76 124.66 1szr s ALA 273 Ca -0.11 -1.62 0.07 0.00 0.00 0.00 0.00 51.96 50.30 1szr s ALA 273 Cb -0.06 0.95 0.36 0.00 0.00 0.00 0.00 23.12 24.36 1szr s ALA 273 CO -0.02 -0.47 0.91 0.39 0.00 0.00 0.00 175.76 176.57 1szr n GLU 274 N -0.23 2.59 -2.27 0.00 1.02 -0.10 -0.29 120.64 121.37 1szr n GLU 274 Ca -0.03 -4.37 -0.41 0.00 -0.02 0.00 0.00 57.16 52.33 1szr n GLU 274 Cb 0.65 -2.06 -0.03 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 -3.20 4.48 0.00 3.49 0.04 -1.25 -3.47 135.00 135.08 1szr s PRO 275 Ca 0.46 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1szr s PRO 275 Cb 0.32 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1szr s PRO 275 CO -0.12 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1szr n GLY 276 N 1.00 0.18 0.26 0.56 0.00 -1.26 -1.23 105.19 104.70 1szr n GLY 276 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.61 1.61 0.11 -1.92 -2.61 114.38 110.97 1szr h ARG 277 Ca 0.00 0.00 0.12 0.00 0.10 0.00 0.00 59.98 60.20 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 0.05 0.04 -0.92 0.10 0.00 0.00 179.97 179.24 1szr h TYR 278 N 0.00 0.04 0.00 4.08 3.20 -1.80 -0.54 116.97 121.94 1szr h TYR 278 Ca -0.00 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.75 1szr h TYR 278 Cb 0.10 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1szr h TYR 278 CO 0.00 -0.13 -0.78 1.88 -1.64 0.00 0.00 178.16 177.49 1szr h TYR 279 N 0.16 0.00 0.00 -3.82 -1.99 -1.79 -3.41 116.97 106.12 1szr h TYR 279 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 1szr h TYR 279 Cb 0.51 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.24 1szr h TYR 279 CO -0.33 0.78 -0.38 1.33 -0.00 0.00 0.00 178.16 179.57 1szr n VAL 280 N -3.57 0.00 -0.03 -2.88 0.24 -1.01 -4.43 118.33 106.65 1szr n VAL 280 Ca -0.00 -0.21 -0.08 0.00 -2.04 0.00 0.00 64.34 62.01 1szr n VAL 280 Cb 0.77 0.71 -0.02 0.00 -1.47 0.00 0.00 33.84 33.83 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 0.00 0.03 0.00 2.33 0.00 -1.32 -2.52 119.26 117.78 1szr h ALA 281 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1szr h ALA 281 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1szr h ALA 281 CO 0.00 -0.56 -0.17 -1.13 0.00 0.00 0.00 179.25 177.40 1szr n SER 282 N -5.29 0.31 0.24 0.00 3.41 -1.14 -1.52 113.62 109.62 1szr n SER 282 Ca -0.02 0.31 0.15 0.00 -0.26 0.00 0.00 58.87 59.06 1szr n SER 282 Cb 0.21 -0.32 0.49 0.00 -0.26 0.00 0.00 64.21 64.32 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 2.88 1.00 -3.47 7.33 0.00 -1.74 -3.41 119.26 121.84 1szr h ALA 283 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1szr h ALA 283 Cb 0.56 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.15 1szr h ALA 283 CO 0.00 0.00 -0.68 -0.06 0.00 0.00 0.00 179.25 178.51 1szr s PHE 284 N -3.46 2.98 -0.10 0.00 0.40 -1.25 -0.36 117.98 116.19 1szr s PHE 284 Ca 0.04 -0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.27 1szr s PHE 284 Cb 0.08 -1.82 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1szr s PHE 284 CO 0.57 0.16 -0.23 0.99 0.70 0.00 0.00 175.22 177.41 1szr s THR 285 N -0.28 2.01 -0.19 0.64 2.01 -0.78 -1.64 115.64 117.41 1szr s THR 285 Ca 0.04 -0.99 -0.10 0.00 0.31 0.00 0.00 61.69 60.94 1szr s THR 285 Cb -0.13 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1szr s THR 285 CO 0.02 0.55 0.16 -0.22 -0.69 0.00 0.00 174.62 174.44 1szr s LEU 286 N 0.33 4.23 -0.16 4.42 2.96 -0.15 -1.11 118.68 129.21 1szr s LEU 286 Ca -0.18 0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1szr s LEU 286 Cb -0.18 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 1szr s LEU 286 CO 0.08 0.18 -0.05 0.00 -1.32 0.00 0.00 176.35 175.25 1szr s ALA 287 N 0.28 2.94 0.01 5.97 0.00 0.41 -0.63 121.76 130.74 1szr s ALA 287 Ca 0.10 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1szr s ALA 287 Cb -0.11 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 1szr s ALA 287 CO -0.01 0.18 -0.13 0.54 0.00 0.00 0.00 175.76 176.34 1szr s VAL 288 N 0.43 1.01 -0.07 0.00 0.11 -0.25 -1.49 120.40 120.14 1szr s VAL 288 Ca -0.05 -0.73 -0.13 0.00 -2.93 0.00 0.00 61.98 58.14 1szr s VAL 288 Cb -0.14 -0.88 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 1szr s VAL 288 CO 0.03 0.14 0.33 0.21 -3.33 0.00 0.00 175.10 172.48 1szr s ASN 289 N -0.67 6.63 -0.50 3.54 2.47 -1.26 -1.06 114.94 124.08 1szr s ASN 289 Ca 0.03 0.74 -0.28 0.00 0.42 0.00 0.00 52.86 53.77 1szr s ASN 289 Cb -0.06 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 1szr s ASN 289 CO 0.00 0.27 1.53 -0.69 -3.72 0.00 0.00 177.10 174.49 1szr s VAL 290 N -0.58 3.71 -0.25 -5.21 1.01 -0.39 -2.55 120.40 116.14 1szr s VAL 290 Ca 0.20 0.64 0.23 0.00 0.00 0.00 0.00 61.98 63.05 1szr s VAL 290 Cb -0.15 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1szr s VAL 290 CO 0.09 -0.93 1.00 2.30 0.00 0.00 0.00 175.10 177.56 1szr n ILE 291 N 7.04 0.53 -3.71 2.22 -5.35 -0.12 -1.46 119.36 118.51 1szr n ILE 291 Ca 0.16 -0.52 -0.09 0.00 -0.27 0.00 0.00 62.75 62.03 1szr n ILE 291 Cb 0.49 -0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 38.09 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 -3.36 -1.15 -0.23 -1.28 0.00 -1.17 -4.91 121.76 109.65 1szr s ALA 292 Ca -0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 51.96 51.65 1szr s ALA 292 Cb 0.10 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.15 1szr s ALA 292 CO 0.80 -0.87 0.61 0.21 0.00 0.00 0.00 175.76 176.52 1szr s LYS 293 N -3.86 0.70 -0.03 0.00 2.20 -1.26 -1.69 119.74 115.79 1szr s LYS 293 Ca 0.08 0.90 0.01 0.00 -0.36 0.00 0.00 55.97 56.60 1szr s LYS 293 Cb -0.02 0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.62 1szr s LYS 293 CO -0.02 -0.10 -0.04 0.00 -0.36 0.00 0.00 175.35 174.84 1szr s ALA 294 N 0.55 0.55 0.03 3.13 0.00 -0.59 -5.00 121.76 120.44 1szr s ALA 294 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 1szr s ALA 294 Cb -0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1szr s ALA 294 CO -0.02 0.00 0.28 0.08 0.00 0.00 0.00 175.76 176.10 1szr s VAL 295 N 0.74 5.29 0.11 0.00 1.01 -1.26 -1.57 120.40 124.72 1szr s VAL 295 Ca -0.09 0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1szr s VAL 295 Cb -0.12 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1szr s VAL 295 CO -0.00 0.30 0.00 0.35 0.00 0.00 0.00 175.10 175.75 1szr n THR 296 N 0.90 0.00 -2.91 3.92 -2.24 -1.26 -5.01 114.28 107.69 1szr n THR 296 Ca -0.09 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.25 1szr n THR 296 Cb 0.52 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1szr n THR 296 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1szr s GLN 312 N -1.30 3.40 0.37 -0.78 -1.52 -1.26 -5.00 119.66 113.56 1szr s GLN 312 Ca 0.00 -1.41 0.08 0.00 -1.95 0.00 0.00 55.36 52.08 1szr s GLN 312 Cb 0.00 -4.65 -0.06 0.00 -0.22 0.00 0.00 33.01 28.08 1szr s GLN 312 CO 0.00 -1.78 0.03 -1.12 -0.25 0.00 0.00 175.29 172.17 1szr s SER 313 N 3.68 4.12 0.05 5.90 0.01 -1.26 -4.13 113.70 122.06 1szr s SER 313 Ca 0.28 -1.10 0.02 0.00 1.31 0.00 0.00 55.95 56.46 1szr s SER 313 Cb -0.10 -0.47 -0.03 0.00 0.21 0.00 0.00 66.02 65.63 1szr s SER 313 CO -0.02 -0.33 -0.07 -0.36 0.41 0.00 0.00 173.24 172.87 1szr s PHE 314 N -2.58 0.68 -0.18 2.43 0.40 -1.04 -4.70 117.98 113.00 1szr s PHE 314 Ca 0.36 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 1szr s PHE 314 Cb 0.03 -0.41 0.03 0.00 0.51 0.00 0.00 43.02 43.18 1szr s PHE 314 CO 0.19 -0.11 -0.12 -1.64 0.70 0.00 0.00 175.22 174.24 1szr s MET 315 N -2.05 2.19 -0.15 0.44 -1.94 -0.61 -1.92 119.30 115.27 1szr s MET 315 Ca -0.06 -0.72 -0.04 0.00 -1.71 0.00 0.00 55.69 53.16 1szr s MET 315 Cb -0.07 -2.29 -0.03 0.00 2.01 0.00 0.00 34.83 34.45 1szr s MET 315 CO -0.01 -0.33 -0.01 0.71 -0.01 0.00 0.00 175.02 175.36 1szr s TYR 316 N 1.43 3.09 -0.14 -0.03 1.51 -0.29 -1.54 117.35 121.38 1szr s TYR 316 Ca 0.02 -0.15 -0.06 0.00 -1.01 0.00 0.00 57.07 55.87 1szr s TYR 316 Cb -0.15 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1szr s TYR 316 CO -0.09 0.08 0.07 0.71 -1.11 0.00 0.00 175.55 175.20 1szr s TYR 317 N 0.18 3.32 0.35 2.71 1.51 -0.68 -0.15 117.35 124.58 1szr s TYR 317 Ca -0.00 0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.37 1szr s TYR 317 Cb -0.13 -1.98 -0.07 0.00 -0.11 0.00 0.00 41.96 39.67 1szr s TYR 317 CO 0.02 0.38 -0.04 0.14 -1.11 0.00 0.00 175.55 174.94 1szr s VAL 318 N -0.28 1.99 -0.31 0.71 -7.23 0.19 -0.94 120.40 114.52 1szr s VAL 318 Ca 0.09 -2.11 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 1szr s VAL 318 Cb -0.12 -2.74 0.45 0.00 0.56 0.00 0.00 36.38 34.53 1szr s VAL 318 CO 0.01 -0.14 1.59 -0.46 -0.31 0.00 0.00 175.10 175.79 1szr n ASN 319 N -0.81 3.54 -3.77 4.85 0.23 -1.06 -1.92 115.26 116.33 1szr n ASN 319 Ca -0.05 -3.03 -0.13 0.00 -0.53 0.00 0.00 54.58 50.84 1szr n ASN 319 Cb 0.65 -0.72 -0.09 0.00 -2.08 0.00 0.00 39.78 37.54 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 -0.52 -0.20 0.00 0.53 -1.08 -1.26 -4.69 116.67 109.45 1szr s ASP 320 Ca 0.38 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 1szr s ASP 320 Cb 0.31 0.35 0.00 0.00 -1.46 0.00 0.00 42.92 42.12 1szr s ASP 320 CO 0.07 -0.40 0.00 0.61 0.52 0.00 0.00 175.17 175.97 1szr n GLY 321 N 1.47 3.56 0.25 2.66 0.00 -1.26 -4.38 105.19 107.48 1szr n GLY 321 Ca -0.21 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 0.49 0.00 1.61 -1.51 -1.90 -1.05 116.25 113.88 1szr h VAL 322 Ca 0.00 -0.80 -0.08 0.00 -1.23 0.00 0.00 66.70 64.59 1szr h VAL 322 Cb 0.00 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1szr h VAL 322 CO 0.00 0.15 -0.37 1.88 -1.23 0.00 0.00 177.57 178.01 1szr h TYR 323 N 0.00 0.00 0.00 5.19 -1.99 -1.93 -3.02 116.97 115.22 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 0.54 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.27 1szr h TYR 323 CO 0.00 0.37 0.00 0.41 -0.00 0.00 0.00 178.16 178.94 1szr n GLY 324 N 1.11 0.46 0.25 3.88 0.00 -0.50 -0.80 105.19 109.58 1szr n GLY 324 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 0.57 -0.03 1.61 0.02 -1.78 -2.72 113.55 111.23 1szr h SER 325 Ca 0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1szr h SER 325 Cb 0.00 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1szr h SER 325 CO 0.00 0.80 0.00 0.49 -1.14 0.00 0.00 176.83 176.98 1szr n PHE 326 N -4.12 0.08 0.28 3.45 3.01 -0.58 -3.76 117.46 115.82 1szr n PHE 326 Ca -0.00 -0.03 0.13 0.00 1.01 0.00 0.00 57.45 58.56 1szr n PHE 326 Cb 0.41 -0.10 0.79 0.00 -0.01 0.00 0.00 39.48 40.57 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 0.17 0.00 -0.85 4.37 7.08 -1.35 -2.01 115.58 122.99 1szr h ASN 327 Ca 0.00 0.00 0.25 0.00 -3.08 0.00 0.00 56.30 53.47 1szr h ASN 327 Cb 0.47 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.68 1szr h ASN 327 CO 0.02 0.05 0.68 0.00 -2.08 0.00 0.00 177.43 176.10 1szr h ILE 329 N 0.00 1.20 0.07 0.00 2.04 -1.55 0.01 117.51 119.28 1szr h ILE 329 Ca 0.41 -0.42 -0.18 0.00 1.00 0.00 0.00 64.86 65.67 1szr h ILE 329 Cb 1.76 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1szr h ILE 329 CO -0.00 0.20 -0.89 -0.07 0.00 0.00 0.00 178.15 177.39 1szr h LEU 330 N 0.94 0.24 0.00 1.44 4.07 -1.38 -3.28 115.31 117.34 1szr h LEU 330 Ca 0.25 -0.85 -0.05 0.00 0.08 0.00 0.00 57.88 57.30 1szr h LEU 330 Cb -0.04 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1szr h LEU 330 CO -0.05 1.39 -0.99 1.88 -1.08 0.00 0.00 178.44 179.59 1szr h TYR 331 N -0.62 0.00 0.00 1.13 -1.99 -1.34 -3.39 116.97 110.77 1szr h TYR 331 Ca -0.20 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.53 1szr h TYR 331 Cb 1.46 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.19 1szr h TYR 331 CO 0.18 0.19 -0.15 -3.47 -0.00 0.00 0.00 178.16 174.91 1szr n ASP 332 N -2.81 1.26 -2.44 3.88 4.64 -0.07 -5.01 116.55 116.01 1szr n ASP 332 Ca -0.02 -2.30 -0.16 0.00 -1.38 0.00 0.00 54.79 50.93 1szr n ASP 332 Cb 0.64 -0.23 -0.01 0.00 -1.04 0.00 0.00 41.12 40.48 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 -0.65 -1.25 -2.88 -0.67 8.25 -0.99 -4.90 115.22 112.13 1szr n HIS 333 Ca 0.06 0.01 -0.40 0.00 -0.26 0.00 0.00 57.72 57.13 1szr n HIS 333 Cb 0.57 -3.29 -0.06 0.00 1.12 0.00 0.00 29.99 28.33 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 -2.80 3.40 -0.08 -1.41 0.00 -0.86 -4.98 121.76 115.02 1szr s ALA 334 Ca 0.01 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.48 1szr s ALA 334 Cb -0.00 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 1szr s ALA 334 CO 0.01 0.24 -0.23 0.54 0.00 0.00 0.00 175.76 176.31 1szr s VAL 335 N -1.06 2.16 0.27 0.00 0.11 -1.26 -4.33 120.40 116.30 1szr s VAL 335 Ca 0.38 -1.01 0.10 0.00 -2.93 0.00 0.00 61.98 58.52 1szr s VAL 335 Cb -0.24 -1.81 -0.05 0.00 -1.53 0.00 0.00 36.38 32.75 1szr s VAL 335 CO 0.28 0.56 -0.15 0.68 -3.33 0.00 0.00 175.10 173.15 1szr s VAL 336 N 0.02 2.16 -0.09 2.04 -7.23 -1.26 -5.14 120.40 110.91 1szr s VAL 336 Ca -0.09 -2.29 -0.01 0.00 -1.81 0.00 0.00 61.98 57.78 1szr s VAL 336 Cb -0.15 -2.32 0.03 0.00 0.56 0.00 0.00 36.38 34.50 1szr s VAL 336 CO 0.06 -0.40 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.27 1szr s ARG 337 N -3.58 1.08 0.31 4.82 0.52 -1.26 -4.96 118.95 115.87 1szr s ARG 337 Ca 0.29 -0.09 -0.28 0.00 -0.52 0.00 0.00 55.73 55.13 1szr s ARG 337 Cb -0.02 -1.25 -0.09 0.00 0.52 0.00 0.00 34.95 34.11 1szr s ARG 337 CO 0.13 -0.26 1.04 -1.25 0.02 0.00 0.00 175.30 174.98 1szr s PRO 338 N 1.72 4.54 -0.19 3.54 0.04 -1.26 -4.60 135.00 138.79 1szr s PRO 338 Ca 0.03 1.62 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 1szr s PRO 338 Cb -0.13 -2.99 0.06 0.00 0.04 0.00 0.00 34.50 31.49 1szr s PRO 338 CO -0.06 0.17 0.03 -0.51 0.04 0.00 0.00 177.00 176.68 1szr s LEU 339 N -1.79 1.23 0.22 -3.56 1.02 0.04 -4.92 118.68 110.92 1szr s LEU 339 Ca 0.48 -0.83 -0.31 0.00 0.02 0.00 0.00 54.13 53.49 1szr s LEU 339 Cb -0.27 -0.62 -0.14 0.00 0.02 0.00 0.00 46.19 45.18 1szr s LEU 339 CO 0.34 -0.30 1.29 -2.65 0.02 0.00 0.00 176.35 175.05 1szr n PRO 340 N 5.04 1.69 0.15 1.29 -0.02 -1.26 -0.01 135.00 141.87 1szr n PRO 340 Ca -0.09 0.60 0.04 0.00 -2.02 0.00 0.00 63.50 62.03 1szr n PRO 340 Cb 0.47 -2.18 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 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 3.68 0.00 -6.97 -0.52 -0.00 -1.84 -3.46 115.11 106.00 1szr h GLN 341 Ca -0.44 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 57.71 1szr h GLN 341 Cb 1.30 0.00 0.05 0.00 -0.00 0.00 0.00 27.48 28.83 1szr h GLN 341 CO 0.72 0.44 0.48 0.50 -0.00 0.00 0.00 178.83 180.97 1szr s ARG 342 N -3.01 3.97 0.22 0.06 3.52 -1.26 -4.96 118.95 117.50 1szr s ARG 342 Ca 0.04 1.75 -0.32 0.00 -0.13 0.00 0.00 55.73 57.07 1szr s ARG 342 Cb 0.07 -2.55 -0.12 0.00 -1.56 0.00 0.00 34.95 30.79 1szr s ARG 342 CO 0.73 -0.36 1.71 0.39 -0.81 0.00 0.00 175.30 176.96 1szr n GLU 343 N -0.15 2.78 -2.48 5.12 1.02 -1.26 -4.93 120.64 120.73 1szr n GLU 343 Ca 0.05 1.00 -0.43 0.00 -0.02 0.00 0.00 57.16 57.77 1szr n GLU 343 Cb 0.48 -2.84 -0.02 0.00 -0.02 0.00 0.00 31.44 29.03 1szr n GLU 343 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1szr s PRO 344 N 0.90 4.29 0.25 3.49 0.04 -1.26 -5.02 135.00 137.68 1szr s PRO 344 Ca 0.73 1.62 -0.20 0.00 0.04 0.00 0.00 61.00 63.19 1szr s PRO 344 Cb -0.50 -3.66 -0.09 0.00 0.04 0.00 0.00 34.50 30.30 1szr s PRO 344 CO 0.35 -0.57 0.76 0.96 0.04 0.00 0.00 177.00 178.54 1szr s ILE 345 N 2.87 4.52 0.38 0.56 -4.36 -1.26 -5.03 121.20 118.88 1szr s ILE 345 Ca 0.54 1.35 -0.28 0.00 -0.26 0.00 0.00 60.65 62.00 1szr s ILE 345 Cb -0.22 -3.87 -0.11 0.00 1.25 0.00 0.00 42.46 39.52 1szr s ILE 345 CO 0.17 0.17 1.44 -2.84 0.24 0.00 0.00 174.94 174.12 1szr s PRO 346 N -2.05 4.11 0.00 0.37 0.02 -1.26 -3.32 135.00 132.87 1szr s PRO 346 Ca 0.45 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.94 1szr s PRO 346 Cb -0.17 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1szr s PRO 346 CO 0.21 -0.49 0.00 -1.71 -0.33 0.00 0.00 177.00 174.68 1szr n ASN 347 N 0.45 -1.88 -4.76 2.53 2.85 -1.26 -4.98 115.26 108.21 1szr n ASN 347 Ca 0.01 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.10 1szr n ASN 347 Cb 0.40 -1.28 0.02 0.00 1.24 0.00 0.00 39.78 40.16 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 -0.56 3.43 0.11 1.20 -1.05 -1.21 -4.95 118.70 115.66 1szr s GLU 348 Ca 0.00 2.04 -0.30 0.00 -0.15 0.00 0.00 54.97 56.55 1szr s GLU 348 Cb 0.00 -2.34 -0.06 0.00 -0.44 0.00 0.00 34.13 31.29 1szr s GLU 348 CO 0.00 -0.90 1.13 0.21 0.95 0.00 0.00 175.26 176.66 1szr s LYS 349 N -2.80 4.51 -0.21 -4.83 2.47 -1.26 -5.03 119.74 112.59 1szr s LYS 349 Ca 0.68 1.72 -0.07 0.00 -1.56 0.00 0.00 55.97 56.73 1szr s LYS 349 Cb -0.35 -3.33 -0.04 0.00 -1.46 0.00 0.00 37.83 32.65 1szr s LYS 349 CO 0.42 -0.09 0.07 -0.51 0.16 0.00 0.00 175.35 175.40 1szr s LEU 350 N 0.41 3.68 0.10 5.43 1.02 -1.26 -4.33 118.68 123.73 1szr s LEU 350 Ca 0.54 -0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.70 1szr s LEU 350 Cb -0.29 -1.95 -0.04 0.00 0.02 0.00 0.00 46.19 43.93 1szr s LEU 350 CO 0.32 0.09 0.05 -0.31 0.02 0.00 0.00 176.35 176.51 1szr s TYR 351 N 0.90 3.09 0.15 0.29 1.51 -0.43 -4.86 117.35 117.99 1szr s TYR 351 Ca 0.04 0.01 -0.31 0.00 -1.01 0.00 0.00 57.07 55.80 1szr s TYR 351 Cb -0.14 -1.56 -0.09 0.00 -0.11 0.00 0.00 41.96 40.06 1szr s TYR 351 CO 0.03 0.50 1.44 -1.25 -1.11 0.00 0.00 175.55 175.16 1szr s PRO 352 N -2.48 4.29 -0.05 -1.71 0.04 -1.26 -2.29 135.00 131.55 1szr s PRO 352 Ca 0.28 2.19 -0.05 0.00 0.04 0.00 0.00 61.00 63.46 1szr s PRO 352 Cb -0.12 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.24 1szr s PRO 352 CO 0.21 -0.47 0.14 -1.12 0.04 0.00 0.00 177.00 175.79 1szr s SER 353 N 0.96 -0.13 0.07 6.66 0.01 -0.71 -2.49 113.70 118.07 1szr s SER 353 Ca 0.65 0.23 0.02 0.00 1.31 0.00 0.00 55.95 58.16 1szr s SER 353 Cb -0.39 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 1szr s SER 353 CO 0.33 -0.08 0.09 -0.94 0.41 0.00 0.00 173.24 173.06 1szr s SER 354 N -0.06 5.64 -0.14 2.44 1.04 -0.81 -1.17 113.70 120.65 1szr s SER 354 Ca -0.01 0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.47 1szr s SER 354 Cb -0.02 -1.56 0.01 0.00 0.10 0.00 0.00 66.02 64.56 1szr s SER 354 CO 0.00 0.18 -0.19 -0.69 0.98 0.00 0.00 173.24 173.53 1szr s VAL 355 N -1.38 1.84 0.16 5.02 1.01 -0.83 -1.13 120.40 125.09 1szr s VAL 355 Ca 0.29 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.53 1szr s VAL 355 Cb -0.12 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1szr s VAL 355 CO 0.22 0.51 -0.18 0.26 0.00 0.00 0.00 175.10 175.91 1szr s TRP 356 N 1.00 2.48 0.87 5.22 0.52 0.78 -0.67 118.94 129.15 1szr s TRP 356 Ca -0.04 -0.29 -0.14 0.00 0.02 0.00 0.00 56.10 55.66 1szr s TRP 356 Cb -0.15 -1.26 0.13 0.00 -1.15 0.00 0.00 33.47 31.04 1szr s TRP 356 CO -0.04 0.46 1.23 0.20 0.02 0.00 0.00 176.95 178.81 1szr s GLY 357 N -2.51 1.66 0.22 0.98 0.00 -0.76 -0.64 107.32 106.27 1szr s GLY 357 Ca 0.21 -0.84 0.25 0.00 0.00 0.00 0.00 44.72 44.33 1szr s GLY 357 CO 0.11 -0.25 1.74 -1.55 0.00 0.00 0.00 173.10 173.16 1szr n PRO 358 N -3.52 0.21 -1.67 2.90 -0.04 -0.81 -4.63 135.00 127.44 1szr n PRO 358 Ca 0.11 0.32 -0.29 0.00 -0.04 0.00 0.00 63.50 63.59 1szr n PRO 358 Cb 0.60 -1.82 0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 -3.21 2.49 -2.03 0.52 -4.23 -1.26 -4.94 115.64 102.97 1szr s THR 359 Ca 0.07 0.16 0.09 0.00 -1.18 0.00 0.00 61.69 60.83 1szr s THR 359 Cb 0.11 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 71.20 1szr s THR 359 CO 0.48 -0.21 1.29 0.00 -0.54 0.00 0.00 174.62 175.64 1szr s ASP 361 N -1.20 6.92 0.42 0.00 -1.08 -1.26 -4.97 116.67 115.50 1szr s ASP 361 Ca 0.16 1.10 0.19 0.00 -0.52 0.00 0.00 52.55 53.48 1szr s ASP 361 Cb 0.08 -2.34 0.95 0.00 -1.46 0.00 0.00 42.92 40.15 1szr s ASP 361 CO 0.12 0.12 1.88 1.23 0.52 0.00 0.00 175.17 179.04 1szr h GLY 362 N 5.63 0.00 2.00 2.66 0.00 -2.01 -2.80 103.07 108.55 1szr h GLY 362 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1szr h GLY 362 CO 0.69 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 177.13 1szr n LEU 363 N -3.79 0.62 -4.19 3.11 7.94 -1.26 -4.46 117.00 114.97 1szr n LEU 363 Ca -0.01 0.64 -0.43 0.00 -1.11 0.00 0.00 56.01 55.10 1szr n LEU 363 Cb 0.37 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.79 1szr n LEU 363 CO 0.35 -0.47 2.18 -0.67 -1.11 0.00 0.00 177.39 177.68 1szr n ASP 364 N -2.16 4.58 -4.06 1.96 2.03 -1.06 -4.90 116.55 112.95 1szr n ASP 364 Ca 0.03 -2.91 -0.27 0.00 0.52 0.00 0.00 54.79 52.16 1szr n ASP 364 Cb 0.25 -1.67 -0.17 0.00 -0.72 0.00 0.00 41.12 38.81 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 3.22 2.01 -0.16 -0.67 0.74 -1.26 -1.83 119.66 121.71 1szr s GLN 365 Ca 0.49 -0.51 -0.10 0.00 0.05 0.00 0.00 55.36 55.29 1szr s GLN 365 Cb 0.08 -1.66 -0.23 0.00 1.10 0.00 0.00 33.01 32.30 1szr s GLN 365 CO 0.00 0.02 0.23 -0.89 -0.55 0.00 0.00 175.29 174.10 1szr n ILE 366 N 3.91 1.68 -4.35 -2.34 5.41 0.16 -4.91 119.36 118.92 1szr n ILE 366 Ca -0.21 -0.46 -0.22 0.00 1.00 0.00 0.00 62.75 62.86 1szr n ILE 366 Cb 0.52 -1.80 -0.16 0.00 -0.71 0.00 0.00 39.64 37.48 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 -2.50 0.80 -0.06 1.39 1.01 -0.91 -4.78 120.40 115.35 1szr s VAL 367 Ca -0.26 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 1szr s VAL 367 Cb 0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 36.38 35.38 1szr s VAL 367 CO 0.69 0.28 0.86 -0.08 0.00 0.00 0.00 175.10 176.86 1szr h GLU 368 N 7.09 0.25 -0.69 2.72 4.81 -1.87 -2.19 114.58 124.70 1szr h GLU 368 Ca -0.35 -0.43 0.07 0.00 -0.13 0.00 0.00 59.36 58.51 1szr h GLU 368 Cb 1.17 0.16 -0.19 0.00 0.63 0.00 0.00 28.75 30.52 1szr h GLU 368 CO 0.47 1.21 -0.27 0.50 -0.73 0.00 0.00 179.01 180.19 1szr s ARG 369 N -2.40 0.47 0.01 1.92 3.52 -1.25 -4.20 118.95 117.02 1szr s ARG 369 Ca -0.15 0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.61 1szr s ARG 369 Cb 0.00 0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.51 1szr s ARG 369 CO 0.81 -0.77 -0.09 -0.47 -0.81 0.00 0.00 175.30 173.97 1szr s TYR 370 N 2.45 0.77 -0.34 5.12 5.04 -0.31 -4.86 117.35 125.22 1szr s TYR 370 Ca 0.17 -0.23 -0.27 0.00 -2.44 0.00 0.00 57.07 54.30 1szr s TYR 370 Cb -0.04 -0.48 0.01 0.00 0.35 0.00 0.00 41.96 41.80 1szr s TYR 370 CO -0.18 -0.02 0.97 0.71 -1.34 0.00 0.00 175.55 175.69 1szr s TYR 371 N -0.48 3.13 0.20 4.97 1.51 -1.26 -1.74 117.35 123.67 1szr s TYR 371 Ca 0.01 0.96 0.06 0.00 -1.01 0.00 0.00 57.07 57.08 1szr s TYR 371 Cb -0.05 -3.60 -0.05 0.00 -0.11 0.00 0.00 41.96 38.15 1szr s TYR 371 CO 0.00 -0.76 -0.09 -0.51 -1.11 0.00 0.00 175.55 173.08 1szr s LEU 372 N 3.47 2.46 1.07 -1.29 1.43 -0.97 -4.91 118.68 119.95 1szr s LEU 372 Ca 0.40 -1.08 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 1szr s LEU 372 Cb -0.12 -0.46 0.23 0.00 0.03 0.00 0.00 46.19 45.86 1szr s LEU 372 CO 0.16 -0.32 1.09 -2.16 0.23 0.00 0.00 176.35 175.35 1szr s PRO 373 N -3.74 -0.18 -0.15 1.29 0.04 -1.26 -1.32 135.00 129.68 1szr s PRO 373 Ca 0.22 0.37 -0.29 0.00 0.04 0.00 0.00 61.00 61.34 1szr s PRO 373 Cb 0.02 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 1szr s PRO 373 CO 0.05 -3.11 1.59 -2.00 0.04 0.00 0.00 177.00 173.57 1szr s GLU 374 N -5.03 4.00 0.32 4.56 2.12 -1.26 -4.82 118.70 118.59 1szr s GLU 374 Ca 0.67 1.87 0.00 0.00 0.36 0.00 0.00 54.97 57.87 1szr s GLU 374 Cb -0.17 -3.98 -0.04 0.00 0.26 0.00 0.00 34.13 30.20 1szr s GLU 374 CO 0.58 -1.04 0.52 -1.64 -0.54 0.00 0.00 175.26 173.14 1szr s MET 375 N 4.28 3.50 0.15 4.30 -1.94 -1.26 -5.12 119.30 123.21 1szr s MET 375 Ca 0.70 -0.32 0.10 0.00 -1.71 0.00 0.00 55.69 54.46 1szr s MET 375 Cb -0.28 -2.69 -0.04 0.00 2.01 0.00 0.00 34.83 33.83 1szr s MET 375 CO 0.27 0.20 -0.17 -0.65 -0.01 0.00 0.00 175.02 174.66 1szr s GLN 376 N -4.10 1.78 0.21 2.03 -1.52 -1.26 -5.09 119.66 111.71 1szr s GLN 376 Ca 0.40 -1.29 -0.32 0.00 -1.95 0.00 0.00 55.36 52.19 1szr s GLN 376 Cb -0.10 -2.06 -0.13 0.00 -0.22 0.00 0.00 33.01 30.51 1szr s GLN 376 CO 0.34 0.45 1.60 0.28 -0.25 0.00 0.00 175.29 177.71 1szr n VAL 377 N 0.47 0.29 0.00 1.09 0.31 -1.26 -2.39 118.33 116.83 1szr n VAL 377 Ca -0.14 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1szr n VAL 377 Cb 0.54 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1szr n VAL 377 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1szr n GLY 378 N 3.20 2.33 3.91 2.92 0.00 -0.54 -5.03 105.19 111.98 1szr n GLY 378 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.72 3.45 -0.04 1.61 2.02 -1.01 -4.83 118.70 119.19 1szr s GLU 379 Ca 0.00 0.17 -0.00 0.00 0.02 0.00 0.00 54.97 55.16 1szr s GLU 379 Cb 0.00 -2.36 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 1szr s GLU 379 CO 0.00 -0.28 0.01 -1.58 0.02 0.00 0.00 175.26 173.43 1szr s TRP 380 N -2.78 3.14 -0.03 1.61 0.52 -1.26 -1.26 118.94 118.87 1szr s TRP 380 Ca 0.48 0.15 0.02 0.00 0.02 0.00 0.00 56.10 56.77 1szr s TRP 380 Cb -0.10 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 1szr s TRP 380 CO 0.45 0.48 -0.06 -0.51 0.02 0.00 0.00 176.95 177.33 1szr s LEU 381 N -1.28 3.22 0.07 2.99 1.43 -0.22 -2.53 118.68 122.36 1szr s LEU 381 Ca 0.17 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 1szr s LEU 381 Cb -0.11 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1szr s LEU 381 CO 0.07 0.32 -0.16 -0.76 0.23 0.00 0.00 176.35 176.06 1szr s LEU 382 N -1.13 2.76 -0.21 1.79 1.43 0.99 -1.09 118.68 123.22 1szr s LEU 382 Ca 0.15 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1szr s LEU 382 Cb -0.11 -1.60 0.06 0.00 0.03 0.00 0.00 46.19 44.57 1szr s LEU 382 CO 0.05 0.22 0.03 -0.36 0.23 0.00 0.00 176.35 176.52 1szr s PHE 383 N -1.04 1.20 0.71 0.29 0.40 0.20 -0.78 117.98 118.96 1szr s PHE 383 Ca 0.17 -1.00 -0.11 0.00 -0.60 0.00 0.00 56.93 55.39 1szr s PHE 383 Cb -0.11 -1.12 0.03 0.00 0.51 0.00 0.00 43.02 42.33 1szr s PHE 383 CO 0.08 -0.65 1.08 -1.21 0.70 0.00 0.00 175.22 175.23 1szr s GLU 384 N 1.80 2.63 -1.30 0.44 2.02 -1.26 -0.97 118.70 122.06 1szr s GLU 384 Ca -0.01 0.28 -0.04 0.00 0.02 0.00 0.00 54.97 55.22 1szr s GLU 384 Cb -0.17 -2.05 0.01 0.00 0.10 0.00 0.00 34.13 32.02 1szr s GLU 384 CO -0.09 -1.13 0.99 -0.25 0.02 0.00 0.00 175.26 174.80 1szr n ASP 385 N -3.01 -3.29 -1.79 -0.19 8.00 -1.10 -4.92 116.55 110.25 1szr n ASP 385 Ca 0.07 -0.65 -0.20 0.00 0.71 0.00 0.00 54.79 54.72 1szr n ASP 385 Cb 0.58 -4.78 0.10 0.00 -0.02 0.00 0.00 41.12 37.00 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 -4.45 2.74 -0.05 -1.24 2.81 -0.65 -4.68 117.12 111.61 1szr n MET 386 Ca -0.18 -3.60 -0.04 0.00 -1.81 0.00 0.00 57.70 52.07 1szr n MET 386 Cb 0.63 -2.11 -0.14 0.00 -0.71 0.00 0.00 33.22 30.88 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 -0.92 -1.04 3.70 3.03 0.00 -0.58 -4.71 105.19 104.67 1szr n GLY 387 Ca 0.45 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.80 3.59 -1.46 4.61 0.00 -1.26 -4.49 121.76 119.95 1szr s ALA 388 Ca -0.07 -0.56 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 1szr s ALA 388 Cb 0.08 -2.45 0.06 0.00 0.00 0.00 0.00 23.12 20.81 1szr s ALA 388 CO 0.84 -0.09 0.98 0.66 0.00 0.00 0.00 175.76 178.16 1szr n TYR 389 N 4.00 -2.36 0.00 0.00 4.02 -0.65 -4.89 117.16 117.27 1szr n TYR 389 Ca -0.11 0.92 0.00 0.00 -0.01 0.00 0.00 57.90 58.70 1szr n TYR 389 Cb 0.52 -4.28 0.00 0.00 -0.02 0.00 0.00 39.34 35.55 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 -4.68 0.00 0.01 -0.72 -2.24 -1.26 -3.80 114.28 101.59 1szr n THR 390 Ca -0.02 0.07 0.07 0.00 -2.27 0.00 0.00 64.05 61.90 1szr n THR 390 Cb 0.56 -0.89 0.48 0.00 -2.10 0.00 0.00 70.33 68.38 1szr n THR 390 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1szr h VAL 391 N 0.00 1.02 0.00 2.28 -1.51 -1.86 -2.81 116.25 113.38 1szr h VAL 391 Ca 0.00 -0.15 -0.03 0.00 -1.23 0.00 0.00 66.70 65.29 1szr h VAL 391 Cb 0.00 0.56 -0.00 0.00 -2.13 0.00 0.00 31.29 29.72 1szr h VAL 391 CO 0.00 0.08 -0.16 -0.37 -1.23 0.00 0.00 177.57 175.88 1szr h VAL 392 N 0.42 0.46 -0.53 7.19 -1.51 -1.87 -3.12 116.25 117.30 1szr h VAL 392 Ca 0.17 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1szr h VAL 392 Cb 0.14 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1szr h VAL 392 CO -0.04 0.16 0.00 0.61 -1.23 0.00 0.00 177.57 177.07 1szr n GLY 393 N -0.10 3.03 3.81 5.19 0.00 -1.06 -5.02 105.19 111.05 1szr n GLY 393 Ca -0.00 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.02 4.26 0.26 2.61 -4.23 -1.18 -4.88 115.64 110.47 1szr s THR 394 Ca 0.46 1.43 0.06 0.00 -1.18 0.00 0.00 61.69 62.46 1szr s THR 394 Cb 0.31 -3.59 -0.05 0.00 1.34 0.00 0.00 72.50 70.51 1szr s THR 394 CO 0.20 -0.28 -0.07 -0.94 -0.54 0.00 0.00 174.62 172.98 1szr s SER 395 N -2.11 2.62 -0.56 3.99 1.04 0.02 -5.01 113.70 113.69 1szr s SER 395 Ca 0.63 -1.17 -0.00 0.00 0.48 0.00 0.00 55.95 55.89 1szr s SER 395 Cb -0.11 -0.14 0.47 0.00 0.10 0.00 0.00 66.02 66.34 1szr s SER 395 CO 0.15 -0.33 1.98 -1.54 0.98 0.00 0.00 173.24 174.48 1szr n SER 396 N -0.53 6.46 -4.77 7.02 3.41 -1.26 -4.46 113.62 119.49 1szr n SER 396 Ca -0.06 -3.61 -0.40 0.00 -0.26 0.00 0.00 58.87 54.54 1szr n SER 396 Cb 0.63 -0.94 0.01 0.00 -0.26 0.00 0.00 64.21 63.65 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 -3.36 2.50 -0.26 7.33 5.36 -1.26 -1.07 117.98 127.22 1szr s PHE 397 Ca 0.57 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.83 1szr s PHE 397 Cb 0.46 -3.88 0.00 0.00 -0.34 0.00 0.00 43.02 39.26 1szr s PHE 397 CO 0.02 -2.81 0.00 0.09 -1.46 0.00 0.00 175.22 171.06 1szr n ASN 398 N -0.19 -5.82 0.00 6.13 5.03 -1.26 -2.38 115.26 116.77 1szr n ASN 398 Ca 0.05 0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.56 1szr n ASN 398 Cb 0.42 -3.60 0.00 0.00 -1.02 0.00 0.00 39.78 35.58 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 0.82 1.44 3.74 7.41 0.00 -0.23 -5.01 105.19 113.36 1szr n GLY 399 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.22 3.07 0.06 1.61 0.40 -1.00 -4.97 117.98 113.93 1szr s PHE 400 Ca 0.00 1.00 -0.19 0.00 -0.60 0.00 0.00 56.93 57.14 1szr s PHE 400 Cb 0.00 -3.80 -0.06 0.00 0.51 0.00 0.00 43.02 39.67 1szr s PHE 400 CO 0.00 -2.64 0.55 -0.65 0.70 0.00 0.00 175.22 173.18 1szr s GLN 401 N -0.05 4.18 0.27 0.44 -1.52 -1.26 -4.45 119.66 117.28 1szr s GLN 401 Ca 0.61 0.70 -0.29 0.00 -1.95 0.00 0.00 55.36 54.42 1szr s GLN 401 Cb -0.41 -3.25 -0.10 0.00 -0.22 0.00 0.00 33.01 29.04 1szr s GLN 401 CO 0.40 0.62 1.24 -1.54 -0.25 0.00 0.00 175.29 175.77 1szr s SER 402 N -1.03 6.96 0.63 5.90 1.04 -1.26 -4.97 113.70 120.97 1szr s SER 402 Ca 0.28 2.47 -0.19 0.00 0.48 0.00 0.00 55.95 59.00 1szr s SER 402 Cb -0.19 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.28 1szr s SER 402 CO 0.18 -0.41 1.27 -0.81 0.98 0.00 0.00 173.24 174.44 1szr n PRO 403 N 1.51 1.19 -2.83 4.02 -0.04 -1.26 -4.99 135.00 132.59 1szr n PRO 403 Ca 0.02 0.46 -0.37 0.00 -0.04 0.00 0.00 63.50 63.57 1szr n PRO 403 Cb 0.43 -2.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.33 1szr n PRO 403 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1szr s THR 404 N -1.38 4.27 -0.30 0.52 2.01 -1.24 -4.76 115.64 114.75 1szr s THR 404 Ca 0.80 1.75 -0.10 0.00 0.31 0.00 0.00 61.69 64.45 1szr s THR 404 Cb -0.39 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.11 1szr s THR 404 CO 0.42 0.17 0.15 -0.63 -0.69 0.00 0.00 174.62 174.05 1szr s ILE 405 N -1.58 4.68 0.03 1.82 1.01 -1.26 -1.43 121.20 124.47 1szr s ILE 405 Ca 0.49 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 1szr s ILE 405 Cb -0.19 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 1szr s ILE 405 CO 0.24 0.11 0.29 -0.31 0.00 0.00 0.00 174.94 175.27 1szr s TYR 406 N 1.64 3.56 0.10 3.97 1.51 -0.35 -4.98 117.35 122.79 1szr s TYR 406 Ca 0.05 0.58 0.08 0.00 -1.01 0.00 0.00 57.07 56.77 1szr s TYR 406 Cb -0.17 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1szr s TYR 406 CO 0.07 0.58 -0.16 0.71 -1.11 0.00 0.00 175.55 175.64 1szr s TYR 407 N -1.36 2.60 0.13 2.71 1.51 -1.26 -0.89 117.35 120.79 1szr s TYR 407 Ca 0.30 -0.23 -0.02 0.00 -1.01 0.00 0.00 57.07 56.12 1szr s TYR 407 Cb -0.13 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 1szr s TYR 407 CO 0.18 0.37 0.07 0.14 -1.11 0.00 0.00 175.55 175.21 1szr s VAL 408 N -1.12 0.10 0.00 0.71 -7.23 -0.71 -4.92 120.40 107.23 1szr s VAL 408 Ca 0.18 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1szr s VAL 408 Cb -0.11 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.80 1szr s VAL 408 CO 0.10 -0.45 0.04 0.52 -0.31 0.00 0.00 175.10 175.00