#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 5.09 0.69 1.61 1.01 -1.26 -4.54 116.67 119.27 1szr s ASP 38 Ca 0.00 1.81 -0.12 0.00 0.71 0.00 0.00 52.55 54.95 1szr s ASP 38 Cb 0.00 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.41 1szr s ASP 38 CO 0.00 -1.64 1.06 -2.16 0.21 0.00 0.00 175.17 172.64 1szr s PRO 39 N -4.61 2.92 0.06 8.23 0.04 -1.26 -4.82 135.00 135.55 1szr s PRO 39 Ca 0.62 1.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.45 1szr s PRO 39 Cb -0.17 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.45 1szr s PRO 39 CO 0.49 -1.12 0.59 -0.59 0.04 0.00 0.00 177.00 176.41 1szr s PHE 40 N -2.90 -0.52 -0.04 0.56 -0.12 -0.75 -3.77 117.98 110.44 1szr s PHE 40 Ca 0.60 0.61 -0.04 0.00 -0.05 0.00 0.00 56.93 58.04 1szr s PHE 40 Cb -0.15 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 1szr s PHE 40 CO 0.51 -0.70 0.18 -0.06 -0.05 0.00 0.00 175.22 175.11 1szr s PHE 41 N -2.51 3.57 -0.32 3.49 0.40 -0.48 -1.17 117.98 120.96 1szr s PHE 41 Ca -0.05 0.44 -0.01 0.00 -0.60 0.00 0.00 56.93 56.71 1szr s PHE 41 Cb -0.01 -1.88 0.07 0.00 0.51 0.00 0.00 43.02 41.71 1szr s PHE 41 CO -0.02 0.67 0.02 0.08 0.70 0.00 0.00 175.22 176.67 1szr s VAL 42 N -1.24 2.85 -0.39 -0.44 1.01 -0.16 -1.67 120.40 120.35 1szr s VAL 42 Ca 0.24 -1.63 -0.15 0.00 0.00 0.00 0.00 61.98 60.44 1szr s VAL 42 Cb -0.13 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1szr s VAL 42 CO 0.14 -0.24 0.31 0.00 0.00 0.00 0.00 175.10 175.31 1szr s ALA 43 N 1.18 3.48 -0.64 5.51 0.00 -0.61 -1.75 121.76 128.92 1szr s ALA 43 Ca -0.02 -1.59 -0.24 0.00 0.00 0.00 0.00 51.96 50.11 1szr s ALA 43 Cb -0.20 -2.87 0.05 0.00 0.00 0.00 0.00 23.12 20.10 1szr s ALA 43 CO -0.03 -1.36 1.04 0.34 0.00 0.00 0.00 175.76 175.75 1szr s ASP 44 N 1.71 6.23 0.52 0.00 2.15 -0.77 -2.39 116.67 124.12 1szr s ASP 44 Ca 0.07 -0.64 0.29 0.00 0.43 0.00 0.00 52.55 52.69 1szr s ASP 44 Cb -0.18 -2.46 1.38 0.00 -0.30 0.00 0.00 42.92 41.35 1szr s ASP 44 CO 0.11 -1.47 2.02 -0.07 -0.17 0.00 0.00 175.17 175.58 1szr h LEU 45 N 11.65 0.00 -2.04 -1.34 3.38 -1.87 -2.14 115.31 122.95 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 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1szr h LEU 45 CO 1.18 0.12 -0.09 1.23 0.09 0.00 0.00 178.44 180.97 1szr h GLY 46 N 1.26 0.00 1.62 0.83 0.00 -1.90 -1.94 103.07 102.94 1szr h GLY 46 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1szr h GLY 46 CO 0.02 0.00 -0.27 -1.80 0.00 0.00 0.00 176.54 174.49 1szr h ASP 47 N 0.00 0.44 -0.42 0.19 3.58 -1.77 -2.40 116.42 116.04 1szr h ASP 47 Ca -0.00 -0.15 -0.09 0.00 0.42 0.00 0.00 57.03 57.21 1szr h ASP 47 Cb 0.27 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1szr h ASP 47 CO 0.01 0.70 -0.07 0.40 -2.88 0.00 0.00 179.24 177.40 1szr h ILE 48 N 0.38 1.27 -0.64 2.25 2.04 -1.47 -2.26 117.51 119.09 1szr h ILE 48 Ca 0.06 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.77 1szr h ILE 48 Cb 0.68 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1szr h ILE 48 CO 0.05 0.39 0.42 0.58 0.00 0.00 0.00 178.15 179.59 1szr h VAL 49 N 0.61 1.17 -0.48 1.67 2.07 -1.38 -2.33 116.25 117.58 1szr h VAL 49 Ca 0.11 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 1szr h VAL 49 Cb 0.59 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1szr h VAL 49 CO 0.04 0.16 -0.01 0.03 0.02 0.00 0.00 177.57 177.80 1szr h ARG 50 N 0.86 0.81 -0.73 1.57 3.08 -1.37 -2.17 114.38 116.43 1szr h ARG 50 Ca 0.23 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1szr h ARG 50 Cb -0.10 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.83 1szr h ARG 50 CO -0.05 0.82 0.44 0.87 -1.07 0.00 0.00 179.97 180.98 1szr h LYS 51 N 0.75 0.99 -0.31 0.04 1.79 -1.05 -2.05 116.57 116.74 1szr h LYS 51 Ca 0.14 -0.09 -0.13 0.00 -2.18 0.00 0.00 60.65 58.39 1szr h LYS 51 Cb 0.47 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1szr h LYS 51 CO 0.02 0.71 -0.33 1.25 -1.08 0.00 0.00 179.45 180.02 1szr h HIS 52 N 1.00 0.78 -0.74 -1.35 2.76 -1.22 -1.70 115.15 114.67 1szr h HIS 52 Ca 0.26 -0.20 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 1szr h HIS 52 Cb -0.03 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 1szr h HIS 52 CO -0.01 0.91 0.33 0.93 -1.30 0.00 0.00 177.93 178.80 1szr h GLU 53 N 0.57 1.07 0.00 5.26 4.39 -1.15 -1.86 114.58 122.86 1szr h GLU 53 Ca 0.06 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 1szr h GLU 53 Cb 0.83 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1szr h GLU 53 CO 0.07 0.84 -0.38 1.15 -1.16 0.00 0.00 179.01 179.53 1szr h THR 54 N 1.06 0.88 -0.07 1.13 2.02 -1.16 -2.69 112.91 114.09 1szr h THR 54 Ca 0.25 -1.55 -0.05 0.00 0.77 0.00 0.00 66.41 65.83 1szr h THR 54 Cb 0.14 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1szr h THR 54 CO -0.03 0.37 -0.16 -0.25 0.37 0.00 0.00 175.52 175.82 1szr h TRP 55 N 0.00 0.29 -0.94 3.16 2.91 -0.71 -1.80 115.95 118.87 1szr h TRP 55 Ca -0.00 -0.11 0.01 0.00 1.13 0.00 0.00 58.89 59.92 1szr h TRP 55 Cb 0.92 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.47 1szr h TRP 55 CO 0.00 0.77 0.62 0.87 -1.03 0.00 0.00 178.44 179.67 1szr h LYS 56 N -0.27 1.23 -0.08 2.65 1.57 -1.35 0.29 116.57 120.62 1szr h LYS 56 Ca -0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1szr h LYS 56 Cb 0.76 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1szr h LYS 56 CO 0.03 0.81 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.50 1szr h LYS 57 N 1.26 0.14 0.00 3.15 3.64 -1.49 -2.95 116.57 120.32 1szr h LYS 57 Ca 0.35 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.46 1szr h LYS 57 Cb -0.13 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1szr h LYS 57 CO -0.08 0.43 -1.11 0.00 -2.27 0.00 0.00 179.45 176.42 1szr n LEU 59 N -3.28 1.24 0.26 0.00 4.77 0.10 -4.81 117.00 115.28 1szr n LEU 59 Ca -0.03 -5.01 0.11 0.00 -0.03 0.00 0.00 56.01 51.05 1szr n LEU 59 Cb 0.95 0.44 0.70 0.00 -2.33 0.00 0.00 43.42 43.18 1szr n LEU 59 CO 0.46 2.20 0.98 1.55 -1.33 0.00 0.00 177.39 181.25 1szr h PRO 60 N 3.44 0.00 0.00 3.23 0.13 -1.67 -2.45 132.00 134.68 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 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1szr h PRO 60 CO 0.55 0.12 -0.03 0.54 -0.23 0.00 0.00 178.00 178.95 1szr n ARG 61 N -3.84 0.12 -3.77 0.86 1.74 -1.26 -4.82 116.66 105.69 1szr n ARG 61 Ca -0.02 0.10 -0.37 0.00 -0.77 0.00 0.00 57.85 56.79 1szr n ARG 61 Cb 0.22 -1.64 -0.13 0.00 -1.02 0.00 0.00 32.46 29.89 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 -3.05 4.06 -0.23 1.55 1.01 -0.92 -4.18 120.40 118.64 1szr s VAL 62 Ca 0.12 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.37 1szr s VAL 62 Cb 0.16 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 1szr s VAL 62 CO 0.57 0.21 0.90 -0.89 0.00 0.00 0.00 175.10 175.88 1szr s THR 63 N 1.55 4.79 -0.01 3.92 2.01 -0.33 -4.89 115.64 122.67 1szr s THR 63 Ca 0.04 1.72 -0.30 0.00 0.31 0.00 0.00 61.69 63.47 1szr s THR 63 Cb -0.16 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 1szr s THR 63 CO 0.02 -0.10 1.00 -2.16 -0.69 0.00 0.00 174.62 172.70 1szr s PRO 64 N 2.90 4.53 -0.34 4.92 0.04 -1.26 -1.82 135.00 143.96 1szr s PRO 64 Ca 0.38 1.44 -0.03 0.00 0.04 0.00 0.00 61.00 62.83 1szr s PRO 64 Cb -0.15 -3.47 0.06 0.00 0.04 0.00 0.00 34.50 30.98 1szr s PRO 64 CO 0.07 -0.11 0.08 -0.06 0.04 0.00 0.00 177.00 177.03 1szr s PHE 65 N 1.19 3.34 0.07 0.56 0.40 -0.04 -1.09 117.98 122.41 1szr s PHE 65 Ca 0.52 -1.88 -0.31 0.00 -0.60 0.00 0.00 56.93 54.67 1szr s PHE 65 Cb -0.21 -2.45 -0.06 0.00 0.51 0.00 0.00 43.02 40.80 1szr s PHE 65 CO 0.26 -0.83 1.29 -0.47 0.70 0.00 0.00 175.22 176.18 1szr s TYR 66 N 1.27 3.29 -0.57 0.36 5.04 0.33 -3.55 117.35 123.52 1szr s TYR 66 Ca -0.01 1.11 -0.28 0.00 -2.44 0.00 0.00 57.07 55.46 1szr s TYR 66 Cb -0.21 -3.55 0.02 0.00 0.35 0.00 0.00 41.96 38.58 1szr s TYR 66 CO -0.01 -1.82 1.38 0.00 -1.34 0.00 0.00 175.55 173.76 1szr s ALA 67 N 1.26 2.84 0.08 3.97 0.00 -0.50 -0.23 121.76 129.18 1szr s ALA 67 Ca 0.61 -0.71 0.20 0.00 0.00 0.00 0.00 51.96 52.07 1szr s ALA 67 Cb -0.32 -4.10 0.67 0.00 0.00 0.00 0.00 23.12 19.37 1szr s ALA 67 CO 0.29 -2.90 1.72 -0.39 0.00 0.00 0.00 175.76 174.48 1szr h VAL 68 N 6.34 0.72 -0.71 0.00 -1.51 -1.82 -2.54 116.25 116.73 1szr h VAL 68 Ca -0.27 -1.45 0.21 0.00 -1.23 0.00 0.00 66.70 63.96 1szr h VAL 68 Cb 1.09 1.94 -0.03 0.00 -2.13 0.00 0.00 31.29 32.16 1szr h VAL 68 CO 1.18 0.32 0.57 0.07 -1.23 0.00 0.00 177.57 178.47 1szr h LYS 69 N 0.00 0.00 0.01 5.19 2.10 -1.89 -2.04 116.57 119.93 1szr h LYS 69 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1szr h LYS 69 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1szr h LYS 69 CO 0.04 0.00 -0.00 0.00 -2.00 0.00 0.00 179.45 177.49 1szr s ASN 71 N -5.41 -0.79 -0.29 0.00 3.04 -0.78 -1.62 114.94 109.09 1szr s ASN 71 Ca -0.14 0.58 0.12 0.00 0.04 0.00 0.00 52.86 53.46 1szr s ASN 71 Cb 0.04 1.77 0.77 0.00 -1.54 0.00 0.00 41.25 42.29 1szr s ASN 71 CO 0.67 -0.28 1.77 -0.90 -3.04 0.00 0.00 177.10 175.32 1szr n ASP 72 N 5.40 5.15 -4.77 -4.21 3.85 -1.13 -4.80 116.55 116.05 1szr n ASP 72 Ca -0.02 -3.11 -0.40 0.00 -0.71 0.00 0.00 54.79 50.56 1szr n ASP 72 Cb 0.51 -0.71 0.00 0.00 -1.35 0.00 0.00 41.12 39.56 1szr n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1szr s ASP 73 N -1.00 6.22 0.12 -1.12 -1.08 -1.26 -4.88 116.67 113.66 1szr s ASP 73 Ca 0.54 2.72 -0.17 0.00 -0.52 0.00 0.00 52.55 55.12 1szr s ASP 73 Cb 0.43 -2.64 -0.03 0.00 -1.46 0.00 0.00 42.92 39.21 1szr s ASP 73 CO 0.14 -0.92 1.66 -0.50 0.52 0.00 0.00 175.17 176.07 1szr h TRP 74 N 2.60 0.51 0.00 -5.34 6.55 -1.98 -1.18 115.95 117.11 1szr h TRP 74 Ca -0.50 -0.04 -0.05 0.00 0.95 0.00 0.00 58.89 59.25 1szr h TRP 74 Cb 1.25 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 29.39 1szr h TRP 74 CO 0.52 0.49 -0.22 0.00 -1.05 0.00 0.00 178.44 178.18 1szr h ARG 75 N 0.39 0.00 -0.01 0.49 -0.00 -1.98 0.19 114.38 113.45 1szr h ARG 75 Ca 0.11 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.59 1szr h ARG 75 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.17 1szr h ARG 75 CO -0.01 0.22 -0.01 0.28 0.00 0.00 0.00 179.97 180.46 1szr h VAL 76 N 0.00 1.37 0.00 2.04 2.07 -1.86 -2.47 116.25 117.41 1szr h VAL 76 Ca -0.00 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 1szr h VAL 76 Cb 0.51 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1szr h VAL 76 CO 0.03 0.29 -0.28 -0.07 0.02 0.00 0.00 177.57 177.56 1szr h LEU 77 N -0.44 0.00 0.21 2.57 3.38 -0.86 -2.01 115.31 118.16 1szr h LEU 77 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1szr h LEU 77 Cb 0.48 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.26 1szr h LEU 77 CO 0.00 0.28 -1.34 1.23 0.09 0.00 0.00 178.44 178.70 1szr h GLY 78 N 1.91 0.61 0.99 0.83 0.00 -0.70 -2.16 103.07 104.55 1szr h GLY 78 Ca -0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 47.33 45.82 1szr h GLY 78 CO 0.04 1.30 0.28 -0.84 0.00 0.00 0.00 176.54 177.32 1szr h THR 79 N 0.10 1.22 -0.22 4.70 2.02 -1.26 -0.81 112.91 118.66 1szr h THR 79 Ca -0.23 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 1szr h THR 79 Cb 2.05 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1szr h THR 79 CO 0.25 0.25 -0.11 -0.07 0.37 0.00 0.00 175.52 176.21 1szr h LEU 80 N 0.83 0.49 -1.02 2.58 3.38 -1.46 -1.02 115.31 119.09 1szr h LEU 80 Ca 0.21 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.85 1szr h LEU 80 Cb 0.13 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1szr h LEU 80 CO -0.02 0.79 0.64 0.00 0.09 0.00 0.00 178.44 179.94 1szr h ALA 81 N 0.71 1.46 -0.06 1.53 0.00 -1.22 -1.86 119.26 119.82 1szr h ALA 81 Ca 0.05 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1szr h ALA 81 Cb 0.61 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1szr h ALA 81 CO 0.03 0.34 -0.79 0.00 0.00 0.00 0.00 179.25 178.84 1szr h ALA 82 N 1.50 0.52 0.00 0.00 0.00 -0.93 -1.94 119.26 118.40 1szr h ALA 82 Ca 0.46 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1szr h ALA 82 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1szr h ALA 82 CO -0.21 0.78 0.00 1.28 0.00 0.00 0.00 179.25 181.09 1szr n LEU 83 N -3.81 0.65 0.00 0.00 4.77 -0.41 -4.90 117.00 113.30 1szr n LEU 83 Ca -0.05 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1szr n LEU 83 Cb 0.74 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1szr n LEU 83 CO 0.49 -0.68 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 1szr n GLY 84 N -0.38 1.03 3.84 -0.72 0.00 -0.73 -5.08 105.19 103.15 1szr n GLY 84 Ca 0.01 0.00 -0.32 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 4.41 0.48 2.61 -4.23 -0.88 -5.00 115.64 111.03 1szr s THR 85 Ca 0.00 1.11 -0.08 0.00 -1.18 0.00 0.00 61.69 61.54 1szr s THR 85 Cb 0.00 -3.67 0.11 0.00 1.34 0.00 0.00 72.50 70.28 1szr s THR 85 CO 0.00 -0.71 0.65 0.61 -0.54 0.00 0.00 174.62 174.63 1szr n GLY 86 N -1.60 -1.33 2.92 3.99 0.00 -0.25 -4.65 105.19 104.27 1szr n GLY 86 Ca 0.07 -1.69 -0.14 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.41 -0.17 -0.42 1.61 0.40 0.56 -0.51 117.98 117.03 1szr s PHE 87 Ca 0.37 0.50 -0.15 0.00 -0.60 0.00 0.00 56.93 57.04 1szr s PHE 87 Cb -0.01 -0.09 0.03 0.00 0.51 0.00 0.00 43.02 43.47 1szr s PHE 87 CO 0.26 -0.17 0.32 0.34 0.70 0.00 0.00 175.22 176.67 1szr s ASP 88 N 1.21 6.12 0.05 1.36 2.15 0.68 -1.65 116.67 126.58 1szr s ASP 88 Ca -0.09 -0.98 0.02 0.00 0.43 0.00 0.00 52.55 51.93 1szr s ASP 88 Cb -0.12 -2.17 -0.04 0.00 -0.30 0.00 0.00 42.92 40.30 1szr s ASP 88 CO -0.06 -0.49 0.05 0.00 -0.17 0.00 0.00 175.17 174.50 1szr n ALA 90 N 0.83 2.45 -3.41 0.00 0.00 -1.26 -1.83 120.51 117.30 1szr n ALA 90 Ca -0.11 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.79 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 -0.16 -0.27 0.52 0.00 1.04 -1.26 -4.74 113.70 108.84 1szr s SER 91 Ca 0.00 -0.51 0.22 0.00 0.48 0.00 0.00 55.95 56.14 1szr s SER 91 Cb 0.00 0.61 1.34 0.00 0.10 0.00 0.00 66.02 68.08 1szr s SER 91 CO 0.01 -1.11 2.05 -0.55 0.98 0.00 0.00 173.24 174.62 1szr h ASN 92 N 2.15 0.01 0.29 7.02 -1.07 -1.97 -2.45 115.58 119.55 1szr h ASN 92 Ca -0.27 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 55.86 1szr h ASN 92 Cb 1.26 -0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.52 1szr h ASN 92 CO 0.34 0.01 -0.99 0.74 0.07 0.00 0.00 177.43 177.60 1szr h THR 93 N 0.01 1.38 -0.02 6.14 2.02 -1.99 -2.32 112.91 118.13 1szr h THR 93 Ca 0.16 -2.45 -0.18 0.00 0.77 0.00 0.00 66.41 64.71 1szr h THR 93 Cb 0.63 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1szr h THR 93 CO -0.00 0.74 -0.78 -0.33 0.37 0.00 0.00 175.52 175.52 1szr h GLU 94 N 0.25 0.22 -0.28 6.66 5.08 -1.89 -2.16 114.58 122.45 1szr h GLU 94 Ca -0.10 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1szr h GLU 94 Cb 1.63 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 1szr h GLU 94 CO 0.18 0.89 0.06 0.82 -1.00 0.00 0.00 179.01 179.95 1szr h ILE 95 N 0.14 1.22 -0.55 3.13 2.04 -1.47 -2.60 117.51 119.43 1szr h ILE 95 Ca -0.03 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.10 1szr h ILE 95 Cb 1.36 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1szr h ILE 95 CO 0.12 0.24 0.36 -0.61 0.00 0.00 0.00 178.15 178.26 1szr h GLN 96 N 0.29 0.68 -0.19 2.37 4.15 -1.40 -0.98 115.11 120.03 1szr h GLN 96 Ca 0.09 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.30 1szr h GLN 96 Cb 0.31 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1szr h GLN 96 CO 0.00 0.45 -0.53 -0.09 -1.93 0.00 0.00 178.83 176.73 1szr h ARG 97 N 0.70 0.69 0.13 1.69 2.43 -1.19 -2.01 114.38 116.82 1szr h ARG 97 Ca 0.21 -0.49 -0.28 0.00 -0.81 0.00 0.00 59.98 58.61 1szr h ARG 97 Cb -0.02 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1szr h ARG 97 CO -0.05 1.11 -1.28 -0.39 -1.51 0.00 0.00 179.97 177.85 1szr h VAL 98 N 0.38 1.46 0.00 0.20 -1.51 -1.38 -3.23 116.25 112.17 1szr h VAL 98 Ca -0.01 -3.02 -0.06 0.00 -1.23 0.00 0.00 66.70 62.37 1szr h VAL 98 Cb 1.15 2.93 -0.01 0.00 -2.13 0.00 0.00 31.29 33.23 1szr h VAL 98 CO 0.11 0.88 -0.30 0.03 -1.23 0.00 0.00 177.57 177.07 1szr h ARG 99 N 0.08 0.00 -0.07 5.19 2.47 -1.25 -2.85 114.38 117.95 1szr h ARG 99 Ca -0.15 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.47 1szr h ARG 99 Cb 1.99 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.29 1szr h ARG 99 CO 0.20 0.30 -0.41 0.78 0.56 0.00 0.00 179.97 181.40 1szr h GLY 100 N 1.04 0.16 -2.45 0.04 0.00 -1.38 -2.88 103.07 97.60 1szr h GLY 100 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1szr h GLY 100 CO 0.04 0.13 0.00 0.29 0.00 0.00 0.00 176.54 177.00 1szr n ILE 101 N -4.03 1.57 -0.60 2.60 -5.35 -1.09 -4.90 119.36 107.55 1szr n ILE 101 Ca -0.02 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 1szr n ILE 101 Cb 0.46 -0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 1szr n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1szr n GLY 102 N 0.37 0.77 3.71 3.28 0.00 -1.09 -5.03 105.19 107.19 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 -2.79 3.65 0.60 1.61 1.01 -1.10 -5.01 120.40 118.37 1szr s VAL 103 Ca 0.00 1.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 1szr s VAL 103 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1szr s VAL 103 CO 0.00 0.07 1.04 -2.16 0.00 0.00 0.00 175.10 174.05 1szr s PRO 104 N 1.40 3.38 0.63 2.72 0.04 -1.26 -4.36 135.00 137.55 1szr s PRO 104 Ca 0.62 1.09 0.39 0.00 0.04 0.00 0.00 61.00 63.14 1szr s PRO 104 Cb -0.33 -2.05 2.12 0.00 0.04 0.00 0.00 34.50 34.28 1szr s PRO 104 CO 0.29 -0.75 2.29 -1.00 0.04 0.00 0.00 177.00 177.87 1szr h PRO 105 N 0.27 0.00 0.00 0.56 0.13 -1.87 -1.92 132.00 129.18 1szr h PRO 105 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.58 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.51 1szr n GLU 106 N -3.34 0.24 -0.41 0.86 0.00 -1.26 -2.28 120.64 114.45 1szr n GLU 106 Ca -0.03 0.20 0.08 0.00 0.00 0.00 0.00 57.16 57.42 1szr n GLU 106 Cb 0.10 -1.78 0.27 0.00 0.00 0.00 0.00 31.44 30.03 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 -2.20 2.82 -5.19 3.44 5.02 -0.72 -4.89 118.16 116.44 1szr n LYS 107 Ca 0.06 -2.16 -0.32 0.00 -2.02 0.00 0.00 58.31 53.87 1szr n LYS 107 Cb 0.42 -1.63 -0.16 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.57 2.23 -0.11 -0.18 1.01 -0.96 -0.32 121.20 121.29 1szr s ILE 108 Ca 0.39 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1szr s ILE 108 Cb 0.23 -1.83 -0.00 0.00 0.01 0.00 0.00 42.46 40.87 1szr s ILE 108 CO 0.22 0.57 -0.21 -0.63 0.00 0.00 0.00 174.94 174.89 1szr s ILE 109 N -0.11 2.33 -1.15 2.92 1.01 -0.66 -4.61 121.20 120.92 1szr s ILE 109 Ca -0.05 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 1szr s ILE 109 Cb -0.14 -1.92 0.18 0.00 0.01 0.00 0.00 42.46 40.59 1szr s ILE 109 CO 0.04 0.55 1.34 -0.47 0.00 0.00 0.00 174.94 176.40 1szr s TYR 110 N 0.38 3.58 -0.54 3.97 6.14 -0.15 -1.34 117.35 129.40 1szr s TYR 110 Ca -0.16 -2.14 -0.03 0.00 0.64 0.00 0.00 57.07 55.38 1szr s TYR 110 Cb -0.17 -4.23 0.14 0.00 0.42 0.00 0.00 41.96 38.11 1szr s TYR 110 CO 0.07 -1.33 2.57 0.00 0.64 0.00 0.00 175.55 177.51 1szr n ALA 111 N 5.26 6.42 -3.42 3.97 0.00 -0.76 -2.53 120.51 129.45 1szr n ALA 111 Ca 0.33 -3.23 -0.36 0.00 0.00 0.00 0.00 53.44 50.18 1szr n ALA 111 Cb 0.43 -2.08 -0.13 0.00 0.00 0.00 0.00 19.45 17.67 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 0.01 4.72 0.49 0.00 3.04 -1.26 -4.89 114.94 117.05 1szr s ASN 112 Ca 0.56 -0.72 0.29 0.00 0.04 0.00 0.00 52.86 53.03 1szr s ASN 112 Cb 0.39 -1.78 1.03 0.00 -1.54 0.00 0.00 41.25 39.35 1szr s ASN 112 CO -0.25 -0.14 1.86 -0.65 -3.04 0.00 0.00 177.10 174.88 1szr h PRO 113 N 8.13 0.00 -4.25 0.43 0.11 -1.88 -3.40 132.00 131.14 1szr h PRO 113 Ca -0.33 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.14 1szr h PRO 113 Cb 1.12 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.83 1szr h PRO 113 CO 0.59 0.08 -0.72 0.00 -0.21 0.00 0.00 178.00 177.74 1szr s LYS 115 N 0.97 3.09 0.37 0.00 1.02 -1.26 -5.10 119.74 118.83 1szr s LYS 115 Ca 0.11 -0.72 -0.27 0.00 0.02 0.00 0.00 55.97 55.11 1szr s LYS 115 Cb -0.19 -2.51 -0.11 0.00 -0.52 0.00 0.00 37.83 34.50 1szr s LYS 115 CO -0.11 0.32 1.27 0.94 -0.92 0.00 0.00 175.35 176.84 1szr n GLN 116 N 3.20 2.02 -0.33 1.68 7.27 -1.26 -4.86 117.38 125.10 1szr n GLN 116 Ca -0.18 0.71 0.00 0.00 0.07 0.00 0.00 57.00 57.60 1szr n GLN 116 Cb 0.53 -2.33 0.13 0.00 2.41 0.00 0.00 30.24 30.98 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 2.35 1.10 -0.58 1.69 2.04 -1.98 -1.93 117.51 120.20 1szr h ILE 117 Ca -0.46 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 1szr h ILE 117 Cb 1.29 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1szr h ILE 117 CO 0.61 0.20 0.23 0.77 0.00 0.00 0.00 178.15 179.96 1szr h SER 118 N 1.07 0.79 0.03 1.72 4.64 -2.00 -2.37 113.55 117.44 1szr h SER 118 Ca 0.37 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1szr h SER 118 Cb 0.09 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1szr h SER 118 CO -0.15 0.75 -0.03 0.45 -0.87 0.00 0.00 176.83 176.98 1szr h HIS 119 N 0.79 0.00 0.02 4.77 3.86 -1.74 -1.59 115.15 121.26 1szr h HIS 119 Ca 0.19 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.16 1szr h HIS 119 Cb 0.20 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.68 1szr h HIS 119 CO 0.01 0.03 -1.01 0.82 0.86 0.00 0.00 177.93 178.64 1szr h ILE 120 N 0.00 1.36 -0.76 2.45 2.04 -1.05 -2.78 117.51 118.77 1szr h ILE 120 Ca -0.00 -2.43 -0.05 0.00 1.00 0.00 0.00 64.86 63.39 1szr h ILE 120 Cb 0.06 2.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 1szr h ILE 120 CO 0.00 0.73 0.29 -0.09 0.00 0.00 0.00 178.15 179.08 1szr h ARG 121 N 0.27 1.14 -0.46 2.37 2.43 -0.93 -2.17 114.38 117.03 1szr h ARG 121 Ca -0.11 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 58.75 1szr h ARG 121 Cb 1.66 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.01 1szr h ARG 121 CO 0.18 0.93 -0.11 -0.92 -1.51 0.00 0.00 179.97 178.55 1szr h TYR 122 N 1.11 1.00 -0.56 2.20 3.20 -1.31 -2.77 116.97 119.84 1szr h TYR 122 Ca 0.25 -0.21 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1szr h TYR 122 Cb 0.23 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1szr h TYR 122 CO 0.02 0.98 0.08 0.00 -1.64 0.00 0.00 178.16 177.60 1szr h ALA 123 N 0.88 1.08 -0.35 1.82 0.00 -1.39 -2.58 119.26 118.72 1szr h ALA 123 Ca 0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1szr h ALA 123 Cb 0.65 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1szr h ALA 123 CO 0.04 0.59 0.04 -0.09 0.00 0.00 0.00 179.25 179.84 1szr h ARG 124 N 0.86 0.53 0.00 0.00 2.43 -1.22 -1.23 114.38 115.75 1szr h ARG 124 Ca 0.18 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1szr h ARG 124 Cb 0.39 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1szr h ARG 124 CO 0.01 0.53 -0.26 -0.25 -1.51 0.00 0.00 179.97 178.48 1szr n ASP 125 N -4.31 0.34 -0.53 -3.80 8.00 -1.06 -2.90 116.55 112.29 1szr n ASP 125 Ca 0.02 0.17 0.13 0.00 0.71 0.00 0.00 54.79 55.82 1szr n ASP 125 Cb 0.22 -0.16 0.38 0.00 -0.02 0.00 0.00 41.12 41.53 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 -1.63 1.74 0.00 -2.24 7.64 -0.99 -4.95 113.62 113.19 1szr n SER 126 Ca 0.06 -1.48 0.00 0.00 1.01 0.00 0.00 58.87 58.46 1szr n SER 126 Cb 0.36 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 1.26 0.53 3.59 0.23 0.00 -1.13 -4.65 105.19 105.01 1szr n GLY 127 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.14 4.25 -0.14 1.61 1.01 -0.50 -4.67 120.40 119.83 1szr s VAL 128 Ca 0.00 1.05 0.17 0.00 0.00 0.00 0.00 61.98 63.20 1szr s VAL 128 Cb 0.00 -4.58 -0.24 0.00 0.00 0.00 0.00 36.38 31.56 1szr s VAL 128 CO 0.00 -1.01 0.15 0.47 0.00 0.00 0.00 175.10 174.72 1szr n ASP 129 N 7.74 0.53 -4.64 3.32 8.00 -1.26 -4.12 116.55 126.12 1szr n ASP 129 Ca 0.10 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 1szr n ASP 129 Cb 0.49 1.18 -0.04 0.00 -0.02 0.00 0.00 41.12 42.74 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 -2.67 4.72 0.02 2.53 1.01 -1.26 -1.12 120.40 123.63 1szr s VAL 130 Ca -0.08 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.47 1szr s VAL 130 Cb 0.07 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1szr s VAL 130 CO 0.76 -0.24 -0.04 -0.04 0.00 0.00 0.00 175.10 175.54 1szr s MET 131 N 3.13 0.35 0.44 2.72 -1.94 -0.90 -0.97 119.30 122.13 1szr s MET 131 Ca 0.38 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 1szr s MET 131 Cb -0.14 0.02 -0.01 0.00 2.01 0.00 0.00 34.83 36.72 1szr s MET 131 CO 0.10 -0.03 0.66 0.95 -0.01 0.00 0.00 175.02 176.70 1szr s THR 132 N -1.41 4.06 0.11 2.05 -4.23 -1.05 -0.94 115.64 114.23 1szr s THR 132 Ca -0.14 -0.50 -0.21 0.00 -1.18 0.00 0.00 61.69 59.66 1szr s THR 132 Cb -0.10 -3.50 0.05 0.00 1.34 0.00 0.00 72.50 70.30 1szr s THR 132 CO -0.01 -0.35 0.51 0.72 -0.54 0.00 0.00 174.62 174.96 1szr s PHE 133 N -2.54 -0.40 -0.02 3.99 -0.12 -0.96 -4.30 117.98 113.64 1szr s PHE 133 Ca 0.48 0.24 0.03 0.00 -0.05 0.00 0.00 56.93 57.62 1szr s PHE 133 Cb -0.10 0.39 0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1szr s PHE 133 CO 0.38 -0.74 0.89 -0.40 -0.05 0.00 0.00 175.22 175.30 1szr n ASP 134 N -0.08 0.47 -3.63 1.98 3.85 -1.26 -0.62 116.55 117.25 1szr n ASP 134 Ca -0.17 -1.88 -0.06 0.00 -0.71 0.00 0.00 54.79 51.96 1szr n ASP 134 Cb 0.63 -0.16 -0.02 0.00 -1.35 0.00 0.00 41.12 40.22 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 2.00 1.36 -0.48 0.00 2.07 -1.98 -2.91 116.25 116.31 1szr h VAL 136 Ca -0.24 -2.05 0.05 0.00 0.82 0.00 0.00 66.70 65.28 1szr h VAL 136 Cb 1.24 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 1szr h VAL 136 CO 0.28 0.62 0.32 0.44 0.02 0.00 0.00 177.57 179.26 1szr h ASP 137 N 0.32 0.39 -0.03 0.57 3.32 -2.00 -0.59 116.42 118.40 1szr h ASP 137 Ca -0.02 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1szr h ASP 137 Cb 1.26 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1szr h ASP 137 CO 0.12 0.26 -0.30 -0.08 -1.72 0.00 0.00 179.24 177.53 1szr h GLU 138 N 0.45 0.48 0.00 3.56 4.57 -1.86 -2.78 114.58 119.00 1szr h GLU 138 Ca 0.20 -0.20 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1szr h GLU 138 Cb 0.24 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1szr h GLU 138 CO -0.05 0.73 -0.21 -0.07 -1.18 0.00 0.00 179.01 178.24 1szr h LEU 139 N 0.42 0.00 -0.28 1.64 3.38 -1.13 -2.48 115.31 116.85 1szr h LEU 139 Ca 0.05 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 1szr h LEU 139 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1szr h LEU 139 CO 0.06 0.21 -0.64 -0.33 0.09 0.00 0.00 178.44 177.83 1szr h GLU 140 N 0.00 0.79 -0.43 1.13 5.08 -1.10 -1.08 114.58 118.97 1szr h GLU 140 Ca -0.00 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 57.78 1szr h GLU 140 Cb 0.69 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1szr h GLU 140 CO 0.03 1.18 0.20 0.87 -1.00 0.00 0.00 179.01 180.29 1szr h LYS 141 N 0.58 0.63 -0.04 2.33 1.57 -1.43 -2.94 116.57 117.27 1szr h LYS 141 Ca -0.01 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.54 1szr h LYS 141 Cb 1.24 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1szr h LYS 141 CO 0.13 0.55 -0.59 0.28 -0.57 0.00 0.00 179.45 179.25 1szr h VAL 142 N 0.56 1.40 0.00 0.50 2.07 -1.38 -1.13 116.25 118.27 1szr h VAL 142 Ca 0.15 -1.98 -0.08 0.00 0.82 0.00 0.00 66.70 65.61 1szr h VAL 142 Cb 0.13 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1szr h VAL 142 CO -0.02 0.58 -0.40 0.00 0.02 0.00 0.00 177.57 177.75 1szr h ALA 143 N 1.29 1.02 0.00 1.67 0.00 -1.20 0.43 119.26 122.47 1szr h ALA 143 Ca -0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 1szr h ALA 143 Cb 1.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1szr h ALA 143 CO 0.09 0.50 -0.93 0.87 0.00 0.00 0.00 179.25 179.77 1szr h LYS 144 N 0.00 0.00 0.00 0.00 1.57 -1.28 -3.41 116.57 113.45 1szr h LYS 144 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1szr h LYS 144 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1szr h LYS 144 CO 0.05 0.45 -1.20 2.41 -0.57 0.00 0.00 179.45 180.60 1szr n THR 145 N -3.09 0.20 -2.88 -0.16 -1.04 -0.46 -4.90 114.28 101.94 1szr n THR 145 Ca -0.03 -0.12 -0.13 0.00 -2.04 0.00 0.00 64.05 61.73 1szr n THR 145 Cb 0.80 -0.89 0.01 0.00 -1.82 0.00 0.00 70.33 68.43 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 -2.16 -2.44 0.26 -1.42 -0.00 0.11 -4.75 115.22 104.82 1szr n HIS 146 Ca -0.05 -2.31 0.12 0.00 -0.00 0.00 0.00 57.72 55.48 1szr n HIS 146 Cb 0.59 0.98 0.71 0.00 -0.00 0.00 0.00 29.99 32.28 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 3.99 0.00 -0.44 1.57 0.13 -1.71 -2.43 132.00 133.11 1szr h PRO 147 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1szr h PRO 147 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1szr h PRO 147 CO 0.37 0.11 0.00 1.63 -0.23 0.00 0.00 178.00 179.88 1szr n LYS 148 N -3.82 2.05 -1.88 0.86 5.02 -1.26 -4.62 118.16 114.50 1szr n LYS 148 Ca -0.02 -1.47 -0.38 0.00 -2.02 0.00 0.00 58.31 54.41 1szr n LYS 148 Cb 0.21 -1.38 0.03 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.52 2.95 -0.45 7.82 0.00 -0.92 -4.98 121.76 124.67 1szr s ALA 149 Ca 0.27 1.28 -0.21 0.00 0.00 0.00 0.00 51.96 53.31 1szr s ALA 149 Cb 0.15 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.76 1szr s ALA 149 CO 0.17 -1.18 0.65 0.15 0.00 0.00 0.00 175.76 175.54 1szr s LYS 150 N -2.74 3.26 -0.14 0.00 3.01 -0.28 -4.17 119.74 118.68 1szr s LYS 150 Ca 0.67 -0.43 -0.09 0.00 -1.01 0.00 0.00 55.97 55.11 1szr s LYS 150 Cb -0.39 -3.97 -0.04 0.00 -1.01 0.00 0.00 37.83 32.42 1szr s LYS 150 CO 0.47 -1.05 0.16 -1.64 0.51 0.00 0.00 175.35 173.81 1szr s MET 151 N 2.83 3.79 -0.29 1.68 -1.94 -0.25 -2.12 119.30 123.00 1szr s MET 151 Ca 0.22 -0.11 -0.00 0.00 -1.71 0.00 0.00 55.69 54.08 1szr s MET 151 Cb -0.15 -3.29 0.05 0.00 2.01 0.00 0.00 34.83 33.46 1szr s MET 151 CO 0.18 0.56 -0.04 0.08 -0.01 0.00 0.00 175.02 175.80 1szr s VAL 152 N -0.43 2.70 -0.16 -6.03 1.01 -0.12 -0.82 120.40 116.56 1szr s VAL 152 Ca 0.13 -1.49 -0.29 0.00 0.00 0.00 0.00 61.98 60.33 1szr s VAL 152 Cb -0.12 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1szr s VAL 152 CO 0.02 -0.09 1.73 -0.22 0.00 0.00 0.00 175.10 176.54 1szr s LEU 153 N 1.19 3.99 -0.16 3.92 2.96 -0.79 -2.26 118.68 127.53 1szr s LEU 153 Ca -0.06 1.89 -0.22 0.00 -0.22 0.00 0.00 54.13 55.52 1szr s LEU 153 Cb -0.20 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1szr s LEU 153 CO -0.03 -1.25 0.66 -0.60 -1.32 0.00 0.00 176.35 173.81 1szr s ARG 154 N 4.72 4.29 0.24 1.98 3.52 0.20 -0.89 118.95 133.02 1szr s ARG 154 Ca 0.77 0.72 0.07 0.00 -0.13 0.00 0.00 55.73 57.16 1szr s ARG 154 Cb -0.29 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1szr s ARG 154 CO 0.31 -0.15 0.13 0.96 -0.81 0.00 0.00 175.30 175.74 1szr s ILE 155 N 1.58 4.17 0.18 4.11 -4.36 0.20 -1.39 121.20 125.69 1szr s ILE 155 Ca 0.32 -1.48 -0.20 0.00 -0.26 0.00 0.00 60.65 59.03 1szr s ILE 155 Cb -0.16 -3.22 -0.08 0.00 1.25 0.00 0.00 42.46 40.25 1szr s ILE 155 CO 0.12 -0.31 0.69 -0.94 0.24 0.00 0.00 174.94 174.74 1szr s SER 156 N -3.64 7.08 -0.20 4.36 1.04 -0.63 -4.44 113.70 117.26 1szr s SER 156 Ca 0.32 1.38 0.12 0.00 0.48 0.00 0.00 55.95 58.25 1szr s SER 156 Cb -0.08 -2.41 -0.22 0.00 0.10 0.00 0.00 66.02 63.41 1szr s SER 156 CO 0.23 0.10 0.04 0.41 0.98 0.00 0.00 173.24 175.00 1szr n THR 157 N 0.99 1.46 0.00 2.02 -1.04 -1.26 -4.84 114.28 111.61 1szr n THR 157 Ca -0.04 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.21 1szr n THR 157 Cb 0.51 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 1szr n THR 157 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1szr n VAL 168 N -2.96 0.00 -0.03 12.58 3.14 -1.26 -5.00 118.33 124.79 1szr n VAL 168 Ca -0.36 -0.19 -0.12 0.00 -2.96 0.00 0.00 64.34 60.71 1szr n VAL 168 Cb 1.09 0.75 -0.07 0.00 -1.06 0.00 0.00 33.84 34.55 1szr n VAL 168 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1szr h LYS 169 N 0.00 0.19 -5.78 1.45 3.64 -2.06 -3.46 116.57 110.55 1szr h LYS 169 Ca 0.00 -0.07 -0.49 0.00 -1.27 0.00 0.00 60.65 58.82 1szr h LYS 169 Cb 0.00 -0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 31.65 1szr h LYS 169 CO 0.00 0.48 -0.76 -0.06 -2.27 0.00 0.00 179.45 176.84 1szr s PHE 170 N -4.82 1.80 0.00 1.91 2.99 -1.26 -5.07 117.98 113.53 1szr s PHE 170 Ca -0.14 -0.50 0.00 0.00 0.00 0.00 0.00 56.93 56.28 1szr s PHE 170 Cb 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 43.02 42.21 1szr s PHE 170 CO 0.70 0.37 0.00 0.41 -0.00 0.00 0.00 175.22 176.71 1szr n GLY 171 N -0.07 2.23 3.70 4.36 0.00 -1.26 -4.69 105.19 109.45 1szr n GLY 171 Ca -0.10 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 3.44 0.37 4.61 0.00 -0.48 -4.27 121.76 125.43 1szr s ALA 172 Ca 0.00 0.72 -0.28 0.00 0.00 0.00 0.00 51.96 52.40 1szr s ALA 172 Cb 0.00 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 1szr s ALA 172 CO 0.00 -0.62 1.40 1.63 0.00 0.00 0.00 175.76 178.17 1szr n LYS 173 N 4.66 2.43 -0.33 0.00 5.02 -1.26 -1.61 118.16 127.07 1szr n LYS 173 Ca 0.10 0.85 0.14 0.00 -2.02 0.00 0.00 58.31 57.38 1szr n LYS 173 Cb 0.46 -2.53 0.36 0.00 -0.02 0.00 0.00 35.03 33.31 1szr n LYS 173 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1szr h VAL 174 N 2.74 0.71 0.00 -0.18 -1.51 -1.95 -1.14 116.25 114.92 1szr h VAL 174 Ca -0.49 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1szr h VAL 174 Cb 1.26 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1szr h VAL 174 CO 0.63 0.13 0.00 1.05 -1.23 0.00 0.00 177.57 178.15 1szr h GLU 175 N 0.70 0.00 -0.00 5.19 9.09 -2.02 -2.20 114.58 125.33 1szr h GLU 175 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.96 1szr h GLU 175 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 1szr h GLU 175 CO -0.33 0.00 -0.54 -0.25 0.05 0.00 0.00 179.01 177.95 1szr n ASP 176 N -2.53 0.94 -0.04 3.06 8.00 -0.45 -4.63 116.55 120.91 1szr n ASP 176 Ca 0.02 -0.74 -0.09 0.00 0.71 0.00 0.00 54.79 54.69 1szr n ASP 176 Cb 0.27 0.41 0.08 0.00 -0.02 0.00 0.00 41.12 41.85 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 0.54 -0.16 -0.65 0.00 2.43 -1.82 -1.36 114.38 113.37 1szr h ARG 178 Ca 0.05 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1szr h ARG 178 Cb 0.91 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 1szr h ARG 178 CO 0.08 -0.11 0.38 0.35 -1.51 0.00 0.00 179.97 179.16 1szr h PHE 179 N -0.17 0.85 -0.45 2.20 3.57 -1.85 -0.71 116.94 120.38 1szr h PHE 179 Ca 0.01 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1szr h PHE 179 Cb 0.17 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1szr h PHE 179 CO -0.11 0.58 0.04 0.82 -2.23 0.00 0.00 178.31 177.41 1szr h ILE 180 N 0.89 1.25 -0.09 1.41 2.04 -1.10 -2.30 117.51 119.62 1szr h ILE 180 Ca 0.23 -0.97 -0.15 0.00 1.00 0.00 0.00 64.86 64.97 1szr h ILE 180 Cb -0.02 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1szr h ILE 180 CO -0.04 0.34 -0.61 -0.07 0.00 0.00 0.00 178.15 177.77 1szr h LEU 181 N 0.62 0.35 -0.39 1.44 3.38 -0.94 -1.40 115.31 118.36 1szr h LEU 181 Ca 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1szr h LEU 181 Cb 0.43 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1szr h LEU 181 CO 0.02 0.87 0.18 -0.33 0.09 0.00 0.00 178.44 179.27 1szr h GLU 182 N 0.23 0.57 -0.16 1.13 5.08 -1.02 -1.81 114.58 118.60 1szr h GLU 182 Ca -0.01 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1szr h GLU 182 Cb 1.12 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1szr h GLU 182 CO 0.10 0.51 -0.28 1.96 -1.00 0.00 0.00 179.01 180.30 1szr h GLN 183 N 0.49 0.30 -0.63 2.33 1.08 -1.30 -2.56 115.11 114.82 1szr h GLN 183 Ca 0.13 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1szr h GLN 183 Cb 0.13 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 1szr h GLN 183 CO -0.02 0.56 0.30 0.00 -0.95 0.00 0.00 178.83 178.73 1szr h ALA 184 N 1.45 0.81 -0.84 3.87 0.00 -0.92 -1.56 119.26 122.06 1szr h ALA 184 Ca 0.04 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1szr h ALA 184 Cb 0.64 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1szr h ALA 184 CO 0.05 0.37 0.54 -0.22 0.00 0.00 0.00 179.25 179.99 1szr h LYS 185 N 0.86 1.02 0.00 0.00 1.63 -0.95 -0.55 116.57 118.59 1szr h LYS 185 Ca 0.22 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.91 1szr h LYS 185 Cb 0.12 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 1szr h LYS 185 CO -0.03 0.68 -0.22 0.87 -3.45 0.00 0.00 179.45 177.30 1szr h LYS 186 N 1.05 0.00 -0.10 1.90 1.57 -1.10 -2.04 116.57 117.85 1szr h LYS 186 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1szr h LYS 186 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1szr h LYS 186 CO -0.12 0.22 0.00 1.28 -0.57 0.00 0.00 179.45 180.27 1szr n LEU 187 N -4.22 1.96 -2.98 2.94 4.77 -0.63 -4.96 117.00 113.88 1szr n LEU 187 Ca -0.02 -0.73 -0.21 0.00 -0.03 0.00 0.00 56.01 55.01 1szr n LEU 187 Cb 0.28 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1szr n LEU 187 CO 0.36 0.37 0.06 -3.20 -1.33 0.00 0.00 177.39 173.65 1szr n ASN 188 N 0.52 -5.95 -4.74 -1.43 5.15 -0.30 -4.91 115.26 103.60 1szr n ASN 188 Ca 0.17 -0.33 -0.41 0.00 -0.60 0.00 0.00 54.58 53.42 1szr n ASN 188 Cb 0.41 -4.72 -0.05 0.00 -0.53 0.00 0.00 39.78 34.89 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 -3.18 4.53 -1.09 -1.44 -1.09 -0.70 -4.98 121.20 113.24 1szr s ILE 189 Ca 0.35 1.91 -0.19 0.00 -2.23 0.00 0.00 60.65 60.49 1szr s ILE 189 Cb -0.15 -4.25 0.10 0.00 -1.58 0.00 0.00 42.46 36.57 1szr s ILE 189 CO 0.43 0.36 1.43 -0.62 -1.23 0.00 0.00 174.94 175.31 1szr s ASP 190 N -0.19 6.71 -0.18 3.58 2.15 -1.26 -4.73 116.67 122.75 1szr s ASP 190 Ca 0.43 -2.09 -0.29 0.00 0.43 0.00 0.00 52.55 51.03 1szr s ASP 190 Cb -0.23 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1szr s ASP 190 CO 0.28 -1.19 1.02 -0.69 -0.17 0.00 0.00 175.17 174.42 1szr s VAL 191 N 3.65 4.73 0.00 1.11 1.01 -1.26 -1.09 120.40 128.54 1szr s VAL 191 Ca 0.44 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.44 1szr s VAL 191 Cb -0.01 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1szr s VAL 191 CO -0.04 -0.10 0.76 0.35 0.00 0.00 0.00 175.10 176.07 1szr n THR 192 N 4.99 0.55 -2.20 3.92 -2.24 0.00 -3.71 114.28 115.60 1szr n THR 192 Ca 0.10 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1szr n THR 192 Cb 0.47 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 -1.34 3.00 3.38 0.00 -1.23 -1.05 105.19 107.68 1szr n GLY 193 Ca 0.00 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.68 0.71 0.19 1.61 1.01 -0.63 -1.89 120.40 118.71 1szr s VAL 194 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1szr s VAL 194 Cb 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 1szr s VAL 194 CO 0.00 0.22 -0.15 -0.94 0.00 0.00 0.00 175.10 174.23 1szr s SER 195 N 0.06 2.50 0.16 3.32 1.04 -0.06 -1.17 113.70 119.54 1szr s SER 195 Ca -0.01 -0.99 -0.09 0.00 0.48 0.00 0.00 55.95 55.34 1szr s SER 195 Cb -0.06 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 1szr s SER 195 CO 0.00 -0.16 0.28 0.72 0.98 0.00 0.00 173.24 175.06 1szr s PHE 196 N -2.84 0.36 -0.15 5.02 -0.12 -0.77 -0.63 117.98 118.85 1szr s PHE 196 Ca 0.21 -0.73 -0.04 0.00 -0.05 0.00 0.00 56.93 56.32 1szr s PHE 196 Cb -0.01 -0.05 0.05 0.00 -0.63 0.00 0.00 43.02 42.38 1szr s PHE 196 CO 0.06 -0.70 0.06 -1.58 -0.05 0.00 0.00 175.22 173.01 1szr s HIS 197 N -3.95 0.47 0.10 3.49 2.46 -1.26 -2.79 115.29 113.80 1szr s HIS 197 Ca 0.16 -0.37 -0.13 0.00 0.47 0.00 0.00 55.06 55.19 1szr s HIS 197 Cb 0.03 -0.77 -0.16 0.00 -0.13 0.00 0.00 32.58 31.55 1szr s HIS 197 CO -0.01 -0.47 1.29 0.28 -2.47 0.00 0.00 174.74 173.36 1szr h VAL 198 N 6.44 1.28 0.00 0.89 2.07 -1.83 -3.43 116.25 121.67 1szr h VAL 198 Ca -0.15 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.36 1szr h VAL 198 Cb 1.13 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1szr h VAL 198 CO 0.28 0.64 0.00 0.61 0.02 0.00 0.00 177.57 179.12 1szr n GLY 199 N 0.75 0.70 0.12 2.17 0.00 -1.26 -4.75 105.19 102.92 1szr n GLY 199 Ca -0.08 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.11 1szr n GLY 199 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1szr h SER 200 N 0.00 0.00 -0.36 1.61 0.02 -1.88 -3.37 113.55 109.57 1szr h SER 200 Ca 0.00 -0.07 -0.23 0.00 -0.84 0.00 0.00 61.79 60.64 1szr h SER 200 Cb 0.00 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.43 1szr h SER 200 CO 0.00 0.04 0.30 0.61 -1.14 0.00 0.00 176.83 176.64 1szr n GLY 201 N 1.24 3.57 3.60 -3.77 0.00 -1.26 -4.89 105.19 103.68 1szr n GLY 201 Ca 0.03 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 0.54 6.59 -0.11 1.61 0.01 -1.26 -4.90 113.70 116.19 1szr s SER 202 Ca 0.23 0.52 -0.13 0.00 1.31 0.00 0.00 55.95 57.88 1szr s SER 202 Cb 0.18 -2.38 -0.27 0.00 0.21 0.00 0.00 66.02 63.76 1szr s SER 202 CO 0.00 -0.60 0.49 0.71 0.41 0.00 0.00 173.24 174.26 1szr h THR 203 N 5.61 0.88 -3.28 1.44 1.35 -1.98 -3.45 112.91 113.49 1szr h THR 203 Ca -0.25 -2.39 -0.62 0.00 -0.55 0.00 0.00 66.41 62.60 1szr h THR 203 Cb 1.10 2.62 -0.17 0.00 -1.73 0.00 0.00 68.15 69.97 1szr h THR 203 CO 0.86 0.76 -0.59 -0.62 -0.25 0.00 0.00 175.52 175.69 1szr s ASP 204 N -7.08 5.43 0.00 5.36 3.68 -1.26 -4.78 116.67 118.02 1szr s ASP 204 Ca -0.21 0.04 0.18 0.00 2.13 0.00 0.00 52.55 54.70 1szr s ASP 204 Cb 0.05 -1.90 0.83 0.00 -1.45 0.00 0.00 42.92 40.46 1szr s ASP 204 CO 0.77 0.19 1.57 0.00 0.13 0.00 0.00 175.17 177.83 1szr n ALA 205 N 3.43 1.89 0.29 3.66 0.00 -1.26 -3.18 120.51 125.34 1szr n ALA 205 Ca -0.17 -0.07 0.19 0.00 0.00 0.00 0.00 53.44 53.38 1szr n ALA 205 Cb 0.52 -1.29 0.96 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.78 0.00 4.64 -1.99 -2.38 113.55 113.04 1szr h SER 206 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1szr h SER 206 Cb 0.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 1szr h SER 206 CO 0.00 0.00 0.34 0.74 -0.87 0.00 0.00 176.83 177.04 1szr h THR 207 N 0.00 1.25 -0.68 2.95 2.02 -1.99 -2.31 112.91 114.15 1szr h THR 207 Ca 0.00 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1szr h THR 207 Cb 0.08 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1szr h THR 207 CO 0.00 0.32 0.44 -0.26 0.37 0.00 0.00 175.52 176.38 1szr h PHE 208 N 1.11 0.87 -0.37 3.16 0.04 -1.70 -2.03 116.94 118.02 1szr h PHE 208 Ca 0.26 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.02 1szr h PHE 208 Cb 0.18 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 1szr h PHE 208 CO 0.02 0.57 0.14 0.00 -0.60 0.00 0.00 178.31 178.43 1szr h ALA 209 N 1.23 0.48 -0.29 2.45 0.00 -1.56 -1.69 119.26 119.89 1szr h ALA 209 Ca 0.25 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1szr h ALA 209 Cb -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1szr h ALA 209 CO -0.05 0.09 -0.33 0.37 0.00 0.00 0.00 179.25 179.33 1szr h GLN 210 N 0.45 0.62 -0.80 0.00 -0.00 -1.40 -1.92 115.11 112.06 1szr h GLN 210 Ca 0.12 -0.28 -0.02 0.00 -0.00 0.00 0.00 58.65 58.47 1szr h GLN 210 Cb 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 27.64 1szr h GLN 210 CO -0.01 0.86 0.40 0.00 0.00 0.00 0.00 178.83 180.09 1szr h ALA 211 N 1.12 1.02 -0.06 3.38 0.00 -1.18 0.12 119.26 123.65 1szr h ALA 211 Ca 0.06 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1szr h ALA 211 Cb 0.82 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1szr h ALA 211 CO 0.07 0.57 -0.68 0.82 0.00 0.00 0.00 179.25 180.03 1szr h ILE 212 N 1.12 1.40 -0.31 0.00 2.04 -1.13 -0.55 117.51 120.07 1szr h ILE 212 Ca 0.28 -2.12 -0.08 0.00 1.00 0.00 0.00 64.86 63.94 1szr h ILE 212 Cb 0.08 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1szr h ILE 212 CO -0.04 0.63 -0.10 -1.28 0.00 0.00 0.00 178.15 177.36 1szr h SER 213 N 0.20 0.63 -0.14 1.72 0.87 -1.11 -2.28 113.55 113.43 1szr h SER 213 Ca -0.02 -0.38 -0.04 0.00 -1.23 0.00 0.00 61.79 60.13 1szr h SER 213 Cb 1.22 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1szr h SER 213 CO 0.11 0.86 -0.00 0.44 -0.53 0.00 0.00 176.83 177.71 1szr h ASP 214 N 0.39 0.33 -0.11 6.23 5.19 -0.84 -2.69 116.42 124.92 1szr h ASP 214 Ca 0.08 -0.05 -0.12 0.00 -0.62 0.00 0.00 57.03 56.31 1szr h ASP 214 Cb 0.60 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1szr h ASP 214 CO 0.04 0.40 -0.34 0.28 -3.12 0.00 0.00 179.24 176.50 1szr h SER 215 N 0.36 0.64 -0.60 6.45 0.02 -0.90 -2.57 113.55 116.94 1szr h SER 215 Ca 0.08 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 1szr h SER 215 Cb 0.25 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1szr h SER 215 CO 0.01 0.93 0.09 -0.09 -1.14 0.00 0.00 176.83 176.62 1szr h ARG 216 N 0.52 1.03 -0.71 3.45 9.65 -1.10 0.20 114.38 127.41 1szr h ARG 216 Ca 0.06 -0.27 -0.03 0.00 -1.10 0.00 0.00 59.98 58.64 1szr h ARG 216 Cb 0.83 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.25 1szr h ARG 216 CO 0.07 0.95 0.33 0.35 2.80 0.00 0.00 179.97 184.47 1szr h PHE 217 N 0.96 1.02 0.02 2.20 3.57 -1.29 -1.24 116.94 122.17 1szr h PHE 217 Ca 0.19 -0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.44 1szr h PHE 217 Cb 0.43 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1szr h PHE 217 CO 0.03 0.75 -0.96 0.28 -2.23 0.00 0.00 178.31 176.18 1szr h VAL 218 N 1.01 1.58 -0.22 1.41 2.07 -1.14 -2.79 116.25 118.17 1szr h VAL 218 Ca 0.25 -2.95 0.01 0.00 0.82 0.00 0.00 66.70 64.83 1szr h VAL 218 Cb 0.12 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1szr h VAL 218 CO -0.03 0.85 0.11 0.15 0.02 0.00 0.00 177.57 178.67 1szr h PHE 219 N 0.05 0.20 -0.14 1.57 3.57 -0.27 -1.80 116.94 120.13 1szr h PHE 219 Ca -0.04 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1szr h PHE 219 Cb 1.64 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1szr h PHE 219 CO 0.02 0.12 -0.36 -0.44 -2.23 0.00 0.00 178.31 175.42 1szr h ASP 220 N 0.24 0.31 -0.18 0.41 3.32 -1.26 -1.91 116.42 117.34 1szr h ASP 220 Ca 0.09 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1szr h ASP 220 Cb 0.02 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1szr h ASP 220 CO -0.06 0.65 0.06 0.24 -1.72 0.00 0.00 179.24 178.40 1szr h MET 221 N 0.26 0.28 -0.88 3.56 2.86 -1.32 -1.66 114.93 118.03 1szr h MET 221 Ca 0.03 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1szr h MET 221 Cb 0.76 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.32 1szr h MET 221 CO 0.06 0.39 0.55 0.78 1.06 0.00 0.00 176.91 179.75 1szr h GLY 222 N 0.11 1.31 1.33 8.32 0.00 -0.99 -2.30 103.07 110.86 1szr h GLY 222 Ca 0.06 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 1szr h GLY 222 CO -0.00 0.29 -0.44 -0.84 0.00 0.00 0.00 176.54 175.55 1szr h THR 223 N 1.02 1.29 -0.21 4.70 2.02 -1.27 -1.18 112.91 119.29 1szr h THR 223 Ca 0.37 -1.63 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 1szr h THR 223 Cb 0.13 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1szr h THR 223 CO -0.16 0.52 0.09 -0.08 0.37 0.00 0.00 175.52 176.27 1szr h GLU 224 N 0.59 0.28 -0.42 6.66 4.81 -0.77 -2.18 114.58 123.54 1szr h GLU 224 Ca 0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1szr h GLU 224 Cb 0.99 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1szr h GLU 224 CO 0.09 0.23 0.00 1.28 -0.73 0.00 0.00 179.01 179.88 1szr n LEU 225 N -4.46 2.33 0.00 1.64 4.77 -0.92 -4.93 117.00 115.44 1szr n LEU 225 Ca 0.00 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 1szr n LEU 225 Cb 0.11 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1szr n LEU 225 CO 0.35 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1szr n GLY 226 N 1.20 0.67 3.84 -0.72 0.00 -0.82 -5.04 105.19 104.33 1szr n GLY 226 Ca 0.15 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 3.37 -1.27 1.61 0.40 -0.46 -5.00 117.98 114.64 1szr s PHE 227 Ca 0.00 1.34 -0.13 0.00 -0.60 0.00 0.00 56.93 57.54 1szr s PHE 227 Cb 0.00 -2.65 0.15 0.00 0.51 0.00 0.00 43.02 41.03 1szr s PHE 227 CO 0.00 -0.05 1.68 -1.71 0.70 0.00 0.00 175.22 175.85 1szr n ASN 228 N -0.71 5.04 -4.58 1.36 5.15 -1.24 -4.37 115.26 115.91 1szr n ASN 228 Ca 0.05 -3.00 -0.43 0.00 -0.60 0.00 0.00 54.58 50.60 1szr n ASN 228 Cb 0.54 -1.57 -0.03 0.00 -0.53 0.00 0.00 39.78 38.19 1szr n ASN 228 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1szr s MET 229 N 1.64 3.57 0.00 1.20 -1.94 -1.26 -4.27 119.30 118.24 1szr s MET 229 Ca 0.44 0.27 0.00 0.00 -1.71 0.00 0.00 55.69 54.69 1szr s MET 229 Cb 0.03 -3.96 0.00 0.00 2.01 0.00 0.00 34.83 32.92 1szr s MET 229 CO 0.01 -1.43 0.35 -2.39 -0.01 0.00 0.00 175.02 171.54 1szr n HIS 230 N 7.78 0.00 -4.35 -0.03 -0.00 -0.21 -4.95 115.22 113.46 1szr n HIS 230 Ca 0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.54 1szr n HIS 230 Cb 0.49 0.02 -0.17 0.00 -0.00 0.00 0.00 29.99 30.33 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 1.22 -0.17 0.61 1.01 -0.70 -1.18 121.20 121.99 1szr s ILE 231 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 1szr s ILE 231 Cb 0.00 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 1szr s ILE 231 CO 0.00 0.39 -0.11 -0.22 0.00 0.00 0.00 174.94 175.00 1szr s LEU 232 N 1.06 2.69 -0.28 2.97 2.96 -0.87 -1.61 118.68 125.60 1szr s LEU 232 Ca -0.06 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1szr s LEU 232 Cb -0.15 -1.64 0.06 0.00 0.50 0.00 0.00 46.19 44.96 1szr s LEU 232 CO -0.01 0.06 -0.05 -0.62 -1.32 0.00 0.00 176.35 174.41 1szr s ASP 233 N 0.96 4.69 0.00 3.68 -1.08 -0.32 -0.71 116.67 123.88 1szr s ASP 233 Ca -0.02 -1.35 0.20 0.00 -0.52 0.00 0.00 52.55 50.87 1szr s ASP 233 Cb -0.15 -1.64 0.67 0.00 -1.46 0.00 0.00 42.92 40.35 1szr s ASP 233 CO -0.01 -0.23 1.50 2.30 0.52 0.00 0.00 175.17 179.25 1szr n ILE 234 N 4.53 0.27 -4.12 4.11 -5.35 -0.29 -1.85 119.36 116.66 1szr n ILE 234 Ca -0.13 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1szr n ILE 234 Cb 0.43 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 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 1.16 -0.45 0.00 3.28 0.00 -1.12 -4.65 105.19 103.41 1szr n GLY 235 Ca 0.16 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 6.64 0.00 -0.02 0.00 -1.24 -0.37 105.19 110.19 1szr n GLY 236 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1szr n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1szr n GLY 237 N 4.14 0.83 3.74 -0.02 0.00 -1.26 -4.03 105.19 108.58 1szr n GLY 237 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.69 0.53 1.61 0.40 -1.26 -4.45 117.98 116.50 1szr s PHE 238 Ca 0.00 1.69 -0.21 0.00 -0.60 0.00 0.00 56.93 57.81 1szr s PHE 238 Cb 0.00 -3.19 -0.06 0.00 0.51 0.00 0.00 43.02 40.29 1szr s PHE 238 CO 0.00 -0.27 1.21 -1.25 0.70 0.00 0.00 175.22 175.60 1szr s PRO 239 N -0.44 3.35 -0.04 0.24 0.04 -1.26 -3.28 135.00 133.60 1szr s PRO 239 Ca 0.47 1.85 0.07 0.00 0.04 0.00 0.00 61.00 63.43 1szr s PRO 239 Cb -0.28 -2.17 0.14 0.00 0.04 0.00 0.00 34.50 32.23 1szr s PRO 239 CO 0.34 -0.91 1.09 0.41 0.04 0.00 0.00 177.00 177.97 1szr n GLY 240 N 0.47 3.48 3.21 0.56 0.00 -1.26 -4.41 105.19 107.25 1szr n GLY 240 Ca 0.10 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.55 1.20 0.15 2.61 -4.23 -1.26 -2.79 115.64 109.76 1szr s THR 241 Ca 0.13 -1.63 0.12 0.00 -1.18 0.00 0.00 61.69 59.13 1szr s THR 241 Cb 0.10 -1.41 -0.03 0.00 1.34 0.00 0.00 72.50 72.50 1szr s THR 241 CO 0.03 -0.42 1.53 0.03 -0.54 0.00 0.00 174.62 175.25 1szr h ARG 242 N 3.66 0.00 -2.27 3.99 3.08 -2.01 -3.23 114.38 117.60 1szr h ARG 242 Ca -0.39 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 58.97 1szr h ARG 242 Cb 1.19 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.05 1szr h ARG 242 CO 0.49 0.65 1.33 -3.47 -1.07 0.00 0.00 179.97 177.91 1szr n ASP 243 N -3.54 7.36 -4.61 7.04 2.03 -1.26 -4.92 116.55 118.65 1szr n ASP 243 Ca -0.00 -3.36 -0.34 0.00 0.52 0.00 0.00 54.79 51.61 1szr n ASP 243 Cb 0.69 -1.24 -0.11 0.00 -0.72 0.00 0.00 41.12 39.74 1szr n ASP 243 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1szr s ALA 244 N -2.35 3.05 -0.03 -1.67 0.00 -1.22 -5.05 121.76 114.48 1szr s ALA 244 Ca 0.53 -0.90 -0.23 0.00 0.00 0.00 0.00 51.96 51.36 1szr s ALA 244 Cb 0.28 -1.26 -0.17 0.00 0.00 0.00 0.00 23.12 21.97 1szr s ALA 244 CO -0.19 0.58 1.03 -1.00 0.00 0.00 0.00 175.76 176.18 1szr h PRO 245 N 5.10 -0.21 -6.22 0.00 0.13 -1.94 -3.39 132.00 125.47 1szr h PRO 245 Ca -0.49 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.08 1szr h PRO 245 Cb 1.18 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 1szr h PRO 245 CO 0.53 0.22 0.79 -1.17 -0.23 0.00 0.00 178.00 178.14 1szr s LEU 246 N -9.13 3.74 0.74 1.56 2.96 -1.26 -5.03 118.68 112.25 1szr s LEU 246 Ca -0.14 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 1szr s LEU 246 Cb 0.01 -2.96 0.04 0.00 0.50 0.00 0.00 46.19 43.78 1szr s LEU 246 CO 0.53 -1.40 1.11 -0.54 -1.32 0.00 0.00 176.35 174.73 1szr s LYS 247 N 4.55 2.38 0.29 1.98 3.01 -1.26 -4.78 119.74 125.91 1szr s LYS 247 Ca 0.36 1.30 -0.01 0.00 -1.01 0.00 0.00 55.97 56.61 1szr s LYS 247 Cb -0.10 -1.90 0.43 0.00 -1.01 0.00 0.00 37.83 35.24 1szr s LYS 247 CO 0.22 -1.56 1.88 0.35 0.51 0.00 0.00 175.35 176.74 1szr h PHE 248 N -0.69 0.90 -0.62 3.18 3.57 -1.94 -2.96 116.94 118.38 1szr h PHE 248 Ca -0.45 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 60.93 1szr h PHE 248 Cb 1.24 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1szr h PHE 248 CO 0.56 0.69 0.10 0.93 -2.23 0.00 0.00 178.31 178.35 1szr h GLU 249 N 0.89 1.02 0.04 1.11 3.07 -2.00 -1.12 114.58 117.60 1szr h GLU 249 Ca 0.21 -0.27 -0.22 0.00 -0.50 0.00 0.00 59.36 58.58 1szr h GLU 249 Cb 0.15 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1szr h GLU 249 CO -0.02 0.95 -1.02 1.05 -1.40 0.00 0.00 179.01 178.57 1szr h GLU 250 N 0.93 0.18 -0.99 2.33 4.11 -1.96 -2.61 114.58 116.57 1szr h GLU 250 Ca 0.19 -0.25 0.05 0.00 0.07 0.00 0.00 59.36 59.42 1szr h GLU 250 Cb 0.43 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 1szr h GLU 250 CO 0.01 1.05 0.64 0.82 0.07 0.00 0.00 179.01 181.60 1szr h ILE 251 N 0.08 1.12 -0.39 -1.06 2.04 -1.32 -1.76 117.51 116.20 1szr h ILE 251 Ca -0.07 -0.41 -0.15 0.00 1.00 0.00 0.00 64.86 65.24 1szr h ILE 251 Cb 1.71 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1szr h ILE 251 CO 0.16 0.22 -0.34 0.00 0.00 0.00 0.00 178.15 178.18 1szr h ALA 252 N 1.43 0.64 -0.70 1.87 0.00 -1.16 -1.35 119.26 119.99 1szr h ALA 252 Ca 0.41 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1szr h ALA 252 Cb 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1szr h ALA 252 CO -0.15 0.67 0.41 0.78 0.00 0.00 0.00 179.25 180.96 1szr h GLY 253 N 0.84 1.02 1.38 0.00 0.00 -1.15 0.81 103.07 105.96 1szr h GLY 253 Ca 0.07 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 1szr h GLY 253 CO 0.09 0.42 -0.23 -2.08 0.00 0.00 0.00 176.54 174.74 1szr h VAL 254 N 0.95 1.27 -0.43 4.60 2.07 -1.19 -2.30 116.25 121.22 1szr h VAL 254 Ca 0.25 -1.32 -0.10 0.00 0.82 0.00 0.00 66.70 66.34 1szr h VAL 254 Cb -0.01 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1szr h VAL 254 CO -0.04 0.44 -0.12 0.40 0.02 0.00 0.00 177.57 178.26 1szr h ILE 255 N 0.63 1.27 -0.21 4.57 2.04 -0.78 -2.60 117.51 122.43 1szr h ILE 255 Ca 0.09 -1.24 -0.15 0.00 1.00 0.00 0.00 64.86 64.56 1szr h ILE 255 Cb 0.72 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1szr h ILE 255 CO 0.06 0.42 -0.49 0.78 0.00 0.00 0.00 178.15 178.91 1szr h ASN 256 N 0.67 0.62 -0.53 1.72 -0.26 -0.74 0.51 115.58 117.57 1szr h ASN 256 Ca 0.11 -0.31 -0.12 0.00 -0.56 0.00 0.00 56.30 55.42 1szr h ASN 256 Cb 0.67 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.73 1szr h ASN 256 CO 0.05 1.01 -0.13 0.78 -1.06 0.00 0.00 177.43 178.08 1szr h ASN 257 N 0.45 1.04 0.02 5.81 2.35 -1.45 -1.06 115.58 122.74 1szr h ASN 257 Ca 0.02 -0.35 -0.10 0.00 -0.55 0.00 0.00 56.30 55.32 1szr h ASN 257 Cb 1.02 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1szr h ASN 257 CO 0.09 1.15 -0.28 0.00 -1.65 0.00 0.00 177.43 176.74 1szr h ALA 258 N 0.93 1.13 -0.25 -0.83 0.00 -1.24 -2.48 119.26 116.53 1szr h ALA 258 Ca 0.14 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1szr h ALA 258 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1szr h ALA 258 CO 0.05 0.55 -0.18 -0.07 0.00 0.00 0.00 179.25 179.60 1szr h LEU 259 N 0.35 0.59 -1.18 0.00 4.07 -0.67 -1.08 115.31 117.38 1szr h LEU 259 Ca 0.05 -0.45 -0.06 0.00 0.08 0.00 0.00 57.88 57.50 1szr h LEU 259 Cb 0.69 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 1szr h LEU 259 CO 0.05 0.91 -0.09 -0.08 -1.08 0.00 0.00 178.44 178.14 1szr h GLU 260 N 0.27 0.45 0.24 1.13 4.57 -1.15 0.21 114.58 120.31 1szr h GLU 260 Ca 0.05 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1szr h GLU 260 Cb 0.72 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1szr h GLU 260 CO 0.05 0.56 -0.12 -0.22 -1.18 0.00 0.00 179.01 178.10 1szr h LYS 261 N 0.43 -0.31 0.00 1.92 3.64 -1.37 -3.36 116.57 117.52 1szr h LYS 261 Ca 0.08 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 1szr h LYS 261 Cb 0.43 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1szr h LYS 261 CO 0.02 0.05 -1.97 0.72 -2.27 0.00 0.00 179.45 176.01 1szr n HIS 262 N -5.01 0.16 -3.21 1.91 8.25 -0.42 -4.59 115.22 112.32 1szr n HIS 262 Ca -0.08 0.05 -0.23 0.00 -0.26 0.00 0.00 57.72 57.20 1szr n HIS 262 Cb 0.26 -0.71 -0.06 0.00 1.12 0.00 0.00 29.99 30.59 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 -2.47 0.36 -2.06 4.41 3.01 0.75 -4.93 117.46 116.52 1szr n PHE 263 Ca -0.11 -3.69 -0.36 0.00 1.01 0.00 0.00 57.45 54.29 1szr n PHE 263 Cb 0.74 -0.39 0.02 0.00 -0.01 0.00 0.00 39.48 39.83 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 -1.63 3.22 0.38 -1.08 0.04 -1.18 -4.46 135.00 130.27 1szr s PRO 264 Ca 0.37 1.85 -0.25 0.00 0.04 0.00 0.00 61.00 63.01 1szr s PRO 264 Cb 0.20 -2.09 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 1szr s PRO 264 CO -0.09 -1.02 0.81 -2.30 0.04 0.00 0.00 177.00 174.44 1szr n PRO 265 N -1.23 0.97 -3.64 0.56 -0.02 -1.26 -4.99 135.00 125.38 1szr n PRO 265 Ca 0.12 0.35 -0.05 0.00 -2.02 0.00 0.00 63.50 61.89 1szr n PRO 265 Cb 0.49 -1.74 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 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 -0.80 -0.44 0.43 2.55 -1.08 -1.26 -5.05 116.67 111.02 1szr s ASP 266 Ca 0.62 0.77 0.30 0.00 -0.52 0.00 0.00 52.55 53.72 1szr s ASP 266 Cb -0.63 0.96 1.34 0.00 -1.46 0.00 0.00 42.92 43.13 1szr s ASP 266 CO 0.58 -0.13 1.89 -0.07 0.52 0.00 0.00 175.17 177.96 1szr h LEU 267 N 4.95 0.00 0.04 -1.34 3.38 -2.04 -2.77 115.31 117.53 1szr h LEU 267 Ca -0.28 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.45 1szr h LEU 267 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1szr h LEU 267 CO 0.15 0.00 -1.15 0.11 0.09 0.00 0.00 178.44 177.65 1szr h LYS 268 N 0.00 0.09 -6.42 1.13 1.79 -1.96 -3.46 116.57 107.73 1szr h LYS 268 Ca 0.00 -0.15 -0.53 0.00 -2.18 0.00 0.00 60.65 57.79 1szr h LYS 268 Cb 0.32 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 1szr h LYS 268 CO 0.00 1.03 0.25 -1.17 -1.08 0.00 0.00 179.45 178.47 1szr s LEU 269 N -6.79 4.47 -0.19 2.94 2.96 -1.05 -4.82 118.68 116.21 1szr s LEU 269 Ca -0.01 1.60 -0.00 0.00 -0.22 0.00 0.00 54.13 55.50 1szr s LEU 269 Cb 0.09 -3.39 0.01 0.00 0.50 0.00 0.00 46.19 43.40 1szr s LEU 269 CO 0.84 -0.02 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.80 1szr s THR 270 N -0.05 2.40 -0.18 3.68 2.01 -0.32 -4.84 115.64 118.34 1szr s THR 270 Ca 0.42 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.51 1szr s THR 270 Cb -0.22 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1szr s THR 270 CO 0.26 0.51 0.11 -0.63 -0.69 0.00 0.00 174.62 174.18 1szr s ILE 271 N 1.29 5.21 0.08 1.82 1.01 -1.26 -2.06 121.20 127.29 1szr s ILE 271 Ca 0.04 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.82 1szr s ILE 271 Cb -0.13 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1szr s ILE 271 CO -0.10 0.47 -0.07 -0.69 0.00 0.00 0.00 174.94 174.56 1szr s VAL 272 N 0.14 0.66 0.25 2.92 1.01 0.11 -1.19 120.40 124.31 1szr s VAL 272 Ca 0.08 -1.70 -0.01 0.00 0.00 0.00 0.00 61.98 60.34 1szr s VAL 272 Cb -0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1szr s VAL 272 CO -0.01 -0.73 0.26 0.00 0.00 0.00 0.00 175.10 174.62 1szr s ALA 273 N -3.00 1.08 -0.40 5.51 0.00 -0.76 -1.14 121.76 123.06 1szr s ALA 273 Ca 0.06 -1.65 0.12 0.00 0.00 0.00 0.00 51.96 50.49 1szr s ALA 273 Cb 0.01 1.34 0.40 0.00 0.00 0.00 0.00 23.12 24.87 1szr s ALA 273 CO -0.03 -0.67 0.92 0.39 0.00 0.00 0.00 175.76 176.37 1szr n GLU 274 N -0.40 1.86 -2.36 0.00 1.02 0.50 -0.86 120.64 120.40 1szr n GLU 274 Ca 0.03 -3.77 -0.41 0.00 -0.02 0.00 0.00 57.16 52.99 1szr n GLU 274 Cb 0.64 -1.72 -0.04 0.00 -0.02 0.00 0.00 31.44 30.31 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 -3.07 4.53 0.00 3.49 0.04 -1.23 -3.73 135.00 135.03 1szr s PRO 275 Ca 0.38 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1szr s PRO 275 Cb 0.39 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1szr s PRO 275 CO -0.07 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1szr n GLY 276 N 1.31 0.08 0.26 0.56 0.00 -1.26 -1.40 105.19 104.73 1szr n GLY 276 Ca 0.00 0.00 0.11 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 -0.88 1.61 0.11 -1.91 -2.52 114.38 110.79 1szr h ARG 277 Ca 0.00 0.00 0.17 0.00 0.10 0.00 0.00 59.98 60.25 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 0.10 0.45 -0.92 0.10 0.00 0.00 179.97 179.71 1szr h TYR 278 N 0.00 0.79 0.07 4.08 3.20 -1.76 -2.25 116.97 121.10 1szr h TYR 278 Ca -0.00 0.04 -0.26 0.00 3.14 0.00 0.00 58.73 61.64 1szr h TYR 278 Cb 0.22 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1szr h TYR 278 CO 0.00 0.15 -1.28 1.88 -1.64 0.00 0.00 178.16 177.27 1szr h TYR 279 N 0.60 0.27 0.00 -3.82 -1.99 -1.78 -3.42 116.97 106.84 1szr h TYR 279 Ca 0.50 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 61.03 1szr h TYR 279 Cb 0.76 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.48 1szr h TYR 279 CO -0.09 1.18 0.00 1.33 -0.00 0.00 0.00 178.16 180.59 1szr n VAL 280 N -3.40 0.00 0.12 -2.88 0.24 -1.15 -4.40 118.33 106.86 1szr n VAL 280 Ca -0.08 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.58 1szr n VAL 280 Cb 1.00 1.00 -0.08 0.00 -1.47 0.00 0.00 33.84 34.29 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 -0.25 -0.00 2.33 0.00 -1.62 -2.63 119.26 117.08 1szr h ALA 281 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1szr h ALA 281 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1szr h ALA 281 CO 0.00 -0.57 -0.03 -1.13 0.00 0.00 0.00 179.25 177.52 1szr n SER 282 N -5.13 0.32 0.05 0.00 3.41 -1.12 -1.87 113.62 109.27 1szr n SER 282 Ca -0.09 -0.75 -0.15 0.00 -0.26 0.00 0.00 58.87 57.61 1szr n SER 282 Cb 0.17 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 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 3.81 0.32 -2.66 7.33 0.00 -1.77 -3.42 119.26 122.86 1szr h ALA 283 Ca 0.00 -0.68 -0.63 0.00 0.00 0.00 0.00 54.91 53.60 1szr h ALA 283 Cb 0.23 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1szr h ALA 283 CO 0.00 0.75 -0.32 -0.06 0.00 0.00 0.00 179.25 179.62 1szr s PHE 284 N -3.39 3.67 -0.06 0.00 0.40 -1.24 -1.84 117.98 115.51 1szr s PHE 284 Ca -0.08 0.79 0.03 0.00 -0.60 0.00 0.00 56.93 57.08 1szr s PHE 284 Cb 0.08 -2.13 0.00 0.00 0.51 0.00 0.00 43.02 41.48 1szr s PHE 284 CO 0.88 0.68 -0.17 0.95 0.70 0.00 0.00 175.22 178.27 1szr s THR 285 N -1.08 1.43 -0.19 0.64 -4.23 -0.72 -1.68 115.64 109.81 1szr s THR 285 Ca 0.21 -0.68 -0.10 0.00 -1.18 0.00 0.00 61.69 59.94 1szr s THR 285 Cb -0.15 -1.26 -0.05 0.00 1.34 0.00 0.00 72.50 72.39 1szr s THR 285 CO 0.10 0.42 0.14 -0.22 -0.54 0.00 0.00 174.62 174.51 1szr s LEU 286 N 0.33 4.23 -0.17 4.79 2.96 0.28 -0.99 118.68 130.11 1szr s LEU 286 Ca -0.11 0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1szr s LEU 286 Cb -0.14 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1szr s LEU 286 CO 0.04 0.20 -0.05 0.00 -1.32 0.00 0.00 176.35 175.22 1szr s ALA 287 N 0.22 2.89 -0.02 5.97 0.00 -0.32 -0.24 121.76 130.27 1szr s ALA 287 Ca 0.09 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.14 1szr s ALA 287 Cb -0.11 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 1szr s ALA 287 CO -0.01 -0.00 -0.12 0.54 0.00 0.00 0.00 175.76 176.16 1szr s VAL 288 N 0.75 1.00 -0.08 0.00 0.11 -0.04 -1.81 120.40 120.32 1szr s VAL 288 Ca -0.02 -0.52 -0.19 0.00 -2.93 0.00 0.00 61.98 58.32 1szr s VAL 288 Cb -0.15 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1szr s VAL 288 CO 0.02 0.29 0.54 0.21 -3.33 0.00 0.00 175.10 172.83 1szr s ASN 289 N -0.10 6.80 -0.63 3.54 2.47 -1.26 -0.80 114.94 124.96 1szr s ASN 289 Ca 0.01 0.95 -0.27 0.00 0.42 0.00 0.00 52.86 53.98 1szr s ASN 289 Cb -0.07 -2.32 -0.02 0.00 -1.45 0.00 0.00 41.25 37.39 1szr s ASN 289 CO 0.00 0.01 1.80 -0.69 -3.72 0.00 0.00 177.10 174.50 1szr s VAL 290 N 0.45 3.39 -0.72 -5.21 1.01 -0.19 -2.80 120.40 116.33 1szr s VAL 290 Ca 0.29 0.22 0.25 0.00 0.00 0.00 0.00 61.98 62.75 1szr s VAL 290 Cb -0.16 -4.04 0.13 0.00 0.00 0.00 0.00 36.38 32.30 1szr s VAL 290 CO 0.13 -1.01 1.51 2.30 0.00 0.00 0.00 175.10 178.03 1szr n ILE 291 N 7.12 0.37 -3.87 2.22 -5.35 0.38 -1.86 119.36 118.38 1szr n ILE 291 Ca 0.18 -0.24 -0.09 0.00 -0.27 0.00 0.00 62.75 62.34 1szr n ILE 291 Cb 0.52 -0.26 -0.04 0.00 -1.74 0.00 0.00 39.64 38.12 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 -3.12 -0.74 -0.11 -1.28 0.00 -1.10 -4.95 121.76 110.47 1szr s ALA 292 Ca 0.09 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.35 1szr s ALA 292 Cb 0.14 0.93 0.05 0.00 0.00 0.00 0.00 23.12 24.24 1szr s ALA 292 CO 0.67 -0.88 0.50 0.21 0.00 0.00 0.00 175.76 176.26 1szr s LYS 293 N -3.94 0.72 -0.06 0.00 2.20 -1.26 -2.35 119.74 115.05 1szr s LYS 293 Ca 0.15 0.37 -0.13 0.00 -0.36 0.00 0.00 55.97 56.00 1szr s LYS 293 Cb -0.02 0.34 0.03 0.00 -1.51 0.00 0.00 37.83 36.67 1szr s LYS 293 CO 0.04 -0.16 0.31 0.00 -0.36 0.00 0.00 175.35 175.18 1szr s ALA 294 N -0.48 -0.77 0.02 3.13 0.00 -0.75 -5.00 121.76 117.92 1szr s ALA 294 Ca -0.06 0.56 0.08 0.00 0.00 0.00 0.00 51.96 52.54 1szr s ALA 294 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1szr s ALA 294 CO 0.04 -0.21 -0.24 0.08 0.00 0.00 0.00 175.76 175.42 1szr s VAL 295 N -0.66 1.95 0.11 0.00 1.01 -1.26 -0.93 120.40 120.61 1szr s VAL 295 Ca -0.08 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1szr s VAL 295 Cb -0.04 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1szr s VAL 295 CO 0.02 0.40 0.00 0.35 0.00 0.00 0.00 175.10 175.87 1szr n THR 296 N 2.07 0.03 -4.03 3.92 -2.24 -1.26 -5.02 114.28 107.75 1szr n THR 296 Ca -0.16 0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 1szr n THR 296 Cb 0.52 -0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 1szr n THR 296 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1szr s GLN 312 N -2.00 3.13 0.14 -0.78 0.74 -1.26 -5.04 119.66 114.58 1szr s GLN 312 Ca 0.00 -0.51 -0.03 0.00 0.05 0.00 0.00 55.36 54.87 1szr s GLN 312 Cb 0.00 -2.89 -0.03 0.00 1.10 0.00 0.00 33.01 31.19 1szr s GLN 312 CO 0.00 0.62 0.11 -1.12 -0.55 0.00 0.00 175.29 174.35 1szr s SER 313 N -2.07 0.25 0.14 6.67 0.01 -1.26 -4.11 113.70 113.33 1szr s SER 313 Ca 0.27 -1.13 0.01 0.00 1.31 0.00 0.00 55.95 56.41 1szr s SER 313 Cb -0.12 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 1szr s SER 313 CO 0.19 -0.77 0.01 -0.36 0.41 0.00 0.00 173.24 172.72 1szr s PHE 314 N -4.03 1.00 -0.15 2.43 0.40 -1.15 -4.63 117.98 111.85 1szr s PHE 314 Ca 0.22 -1.07 -0.03 0.00 -0.60 0.00 0.00 56.93 55.45 1szr s PHE 314 Cb 0.06 -0.58 0.05 0.00 0.51 0.00 0.00 43.02 43.07 1szr s PHE 314 CO 0.01 -0.31 0.05 -1.64 0.70 0.00 0.00 175.22 174.03 1szr s MET 315 N -3.94 0.40 -0.11 0.44 -1.94 -0.11 -2.55 119.30 111.49 1szr s MET 315 Ca 0.21 -0.17 -0.03 0.00 -1.71 0.00 0.00 55.69 54.00 1szr s MET 315 Cb 0.07 -1.72 -0.03 0.00 2.01 0.00 0.00 34.83 35.16 1szr s MET 315 CO 0.01 -0.57 -0.00 0.71 -0.01 0.00 0.00 175.02 175.15 1szr s TYR 316 N 1.99 3.13 -0.16 -0.03 1.51 -0.51 -1.80 117.35 121.48 1szr s TYR 316 Ca 0.01 0.08 -0.01 0.00 -1.01 0.00 0.00 57.07 56.15 1szr s TYR 316 Cb -0.16 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1szr s TYR 316 CO -0.07 0.34 -0.13 0.71 -1.11 0.00 0.00 175.55 175.29 1szr s TYR 317 N -0.52 2.83 0.33 2.71 1.51 -0.99 -0.72 117.35 122.50 1szr s TYR 317 Ca 0.09 -0.95 0.09 0.00 -1.01 0.00 0.00 57.07 55.29 1szr s TYR 317 Cb -0.12 -1.92 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 1szr s TYR 317 CO 0.02 -0.44 0.09 0.14 -1.11 0.00 0.00 175.55 174.26 1szr s VAL 318 N 0.85 2.97 -0.29 0.71 -7.23 0.18 -0.47 120.40 117.12 1szr s VAL 318 Ca -0.04 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1szr s VAL 318 Cb -0.15 -2.92 0.34 0.00 0.56 0.00 0.00 36.38 34.21 1szr s VAL 318 CO -0.00 -0.21 1.67 -0.46 -0.31 0.00 0.00 175.10 175.80 1szr n ASN 319 N -1.07 4.43 -3.65 4.85 0.23 -1.12 -2.24 115.26 116.70 1szr n ASN 319 Ca -0.04 -2.99 -0.11 0.00 -0.53 0.00 0.00 54.58 50.91 1szr n ASN 319 Cb 0.61 -0.80 -0.08 0.00 -2.08 0.00 0.00 39.78 37.44 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 -0.25 -0.79 0.00 0.53 -1.08 -1.26 -4.75 116.67 109.07 1szr s ASP 320 Ca 0.33 1.37 0.00 0.00 -0.52 0.00 0.00 52.55 53.74 1szr s ASP 320 Cb 0.28 1.32 0.00 0.00 -1.46 0.00 0.00 42.92 43.05 1szr s ASP 320 CO 0.04 -0.23 0.00 0.61 0.52 0.00 0.00 175.17 176.11 1szr n GLY 321 N 3.57 4.31 0.24 2.66 0.00 -1.26 -4.42 105.19 110.28 1szr n GLY 321 Ca -0.17 -0.96 0.16 0.00 0.00 0.00 0.00 46.02 45.05 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 0.01 1.61 -1.51 -1.89 -0.61 116.25 113.85 1szr h VAL 322 Ca 0.00 -0.25 -0.25 0.00 -1.23 0.00 0.00 66.70 64.96 1szr h VAL 322 Cb 0.00 1.11 -0.04 0.00 -2.13 0.00 0.00 31.29 30.24 1szr h VAL 322 CO 0.00 0.00 -1.35 1.88 -1.23 0.00 0.00 177.57 176.87 1szr h TYR 323 N 0.00 0.04 0.00 5.19 -1.99 -1.94 -3.07 116.97 115.19 1szr h TYR 323 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1szr h TYR 323 Cb 0.29 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.02 1szr h TYR 323 CO 0.00 1.03 0.00 0.41 -0.00 0.00 0.00 178.16 179.60 1szr n GLY 324 N 1.47 0.64 0.31 3.88 0.00 -0.32 -1.23 105.19 109.94 1szr n GLY 324 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.30 1.61 0.02 -1.77 -1.97 113.55 111.14 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 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 1szr n PHE 326 N -4.27 0.76 0.33 3.45 3.01 -0.72 -3.97 117.46 116.05 1szr n PHE 326 Ca 0.01 -0.29 0.22 0.00 1.01 0.00 0.00 57.45 58.39 1szr n PHE 326 Cb 0.25 -0.17 1.18 0.00 -0.01 0.00 0.00 39.48 40.73 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 1.94 0.00 -0.83 4.37 7.08 -1.25 -1.36 115.58 125.53 1szr h ASN 327 Ca 0.00 0.00 0.21 0.00 -3.08 0.00 0.00 56.30 53.43 1szr h ASN 327 Cb 0.88 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.07 1szr h ASN 327 CO 0.13 0.00 0.57 0.00 -2.08 0.00 0.00 177.43 176.05 1szr h ILE 329 N 0.22 1.10 0.03 0.00 2.04 -1.45 -0.71 117.51 118.73 1szr h ILE 329 Ca 0.41 -0.32 -0.20 0.00 1.00 0.00 0.00 64.86 65.75 1szr h ILE 329 Cb 1.29 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1szr h ILE 329 CO -0.09 0.17 -1.08 -0.07 0.00 0.00 0.00 178.15 177.08 1szr h LEU 330 N 0.94 0.10 0.00 1.44 3.38 -1.58 -3.30 115.31 116.29 1szr h LEU 330 Ca 0.31 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1szr h LEU 330 Cb 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1szr h LEU 330 CO -0.12 1.44 -0.04 1.88 0.09 0.00 0.00 178.44 181.69 1szr h TYR 331 N -0.81 0.00 0.00 1.13 -1.99 -1.23 -3.37 116.97 110.70 1szr h TYR 331 Ca -0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.45 1szr h TYR 331 Cb 1.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.10 1szr h TYR 331 CO 0.14 0.00 -0.30 -3.47 -0.00 0.00 0.00 178.16 174.53 1szr n ASP 332 N -2.88 0.68 -1.83 3.88 4.64 -0.31 -5.01 116.55 115.72 1szr n ASP 332 Ca 0.04 -2.16 -0.19 0.00 -1.38 0.00 0.00 54.79 51.10 1szr n ASP 332 Cb 0.51 -0.23 -0.06 0.00 -1.04 0.00 0.00 41.12 40.30 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 -0.38 -0.43 -2.62 -0.67 8.25 -1.16 -4.92 115.22 113.28 1szr n HIS 333 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 1szr n HIS 333 Cb 0.64 -3.39 -0.05 0.00 1.12 0.00 0.00 29.99 28.31 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 -2.71 3.35 -0.07 -1.41 0.00 -0.96 -4.99 121.76 114.97 1szr s ALA 334 Ca 0.00 0.74 0.05 0.00 0.00 0.00 0.00 51.96 52.75 1szr s ALA 334 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1szr s ALA 334 CO 0.00 0.03 -0.23 0.14 0.00 0.00 0.00 175.76 175.70 1szr s VAL 335 N -1.22 2.25 0.28 0.00 -7.23 -1.26 -4.42 120.40 108.79 1szr s VAL 335 Ca 0.44 -0.99 0.09 0.00 -1.81 0.00 0.00 61.98 59.71 1szr s VAL 335 Cb -0.28 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.77 1szr s VAL 335 CO 0.35 0.57 -0.13 0.68 -0.31 0.00 0.00 175.10 176.26 1szr s VAL 336 N -0.15 2.09 -0.22 1.32 -7.23 -1.26 -5.13 120.40 109.81 1szr s VAL 336 Ca -0.04 -2.26 -0.01 0.00 -1.81 0.00 0.00 61.98 57.87 1szr s VAL 336 Cb -0.14 -2.36 0.06 0.00 0.56 0.00 0.00 36.38 34.50 1szr s VAL 336 CO 0.04 -0.37 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.31 1szr s ARG 337 N -3.61 1.22 0.15 4.82 0.52 -1.26 -4.98 118.95 115.81 1szr s ARG 337 Ca 0.29 -0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 1szr s ARG 337 Cb -0.00 -2.40 -0.08 0.00 0.52 0.00 0.00 34.95 32.99 1szr s ARG 337 CO 0.13 -0.62 1.25 -1.25 0.02 0.00 0.00 175.30 174.83 1szr s PRO 338 N 1.58 4.43 -0.12 3.54 0.04 -1.26 -4.50 135.00 138.71 1szr s PRO 338 Ca -0.04 1.92 -0.00 0.00 0.04 0.00 0.00 61.00 62.92 1szr s PRO 338 Cb -0.18 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.13 1szr s PRO 338 CO -0.07 -0.21 -0.09 -0.51 0.04 0.00 0.00 177.00 176.16 1szr s LEU 339 N 0.28 1.29 0.25 -3.56 1.02 0.21 -4.92 118.68 113.26 1szr s LEU 339 Ca 0.57 -0.34 -0.31 0.00 0.02 0.00 0.00 54.13 54.06 1szr s LEU 339 Cb -0.33 -0.91 -0.13 0.00 0.02 0.00 0.00 46.19 44.84 1szr s LEU 339 CO 0.34 -0.11 1.53 -2.65 0.02 0.00 0.00 176.35 175.49 1szr n PRO 340 N 4.91 2.40 0.19 1.29 -0.02 -1.26 0.48 135.00 142.99 1szr n PRO 340 Ca -0.13 0.86 0.08 0.00 -2.02 0.00 0.00 63.50 62.28 1szr n PRO 340 Cb 0.50 -2.60 0.20 0.00 -0.02 0.00 0.00 33.50 31.58 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 4.87 0.00 -7.01 -0.52 -0.00 -1.83 -3.46 115.11 107.16 1szr h GLN 341 Ca -0.46 0.00 -0.49 0.00 -0.00 0.00 0.00 58.65 57.70 1szr h GLN 341 Cb 1.24 0.00 0.04 0.00 -0.00 0.00 0.00 27.48 28.76 1szr h GLN 341 CO 0.80 0.25 0.43 0.50 -0.00 0.00 0.00 178.83 180.81 1szr s ARG 342 N -3.22 3.88 0.07 0.06 3.52 -1.26 -4.97 118.95 117.03 1szr s ARG 342 Ca 0.04 1.57 -0.34 0.00 -0.13 0.00 0.00 55.73 56.87 1szr s ARG 342 Cb 0.07 -2.35 -0.13 0.00 -1.56 0.00 0.00 34.95 30.98 1szr s ARG 342 CO 0.69 -0.40 1.70 0.39 -0.81 0.00 0.00 175.30 176.86 1szr n GLU 343 N -0.51 2.17 -2.46 5.12 1.02 -1.26 -4.92 120.64 119.79 1szr n GLU 343 Ca 0.07 0.79 -0.42 0.00 -0.02 0.00 0.00 57.16 57.58 1szr n GLU 343 Cb 0.50 -2.59 -0.03 0.00 -0.02 0.00 0.00 31.44 29.31 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 2.13 4.32 0.20 3.49 0.04 -1.26 -5.01 135.00 138.92 1szr s PRO 344 Ca 0.84 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 1szr s PRO 344 Cb -0.68 -3.62 -0.08 0.00 0.04 0.00 0.00 34.50 30.16 1szr s PRO 344 CO 0.43 -0.52 1.06 0.42 0.04 0.00 0.00 177.00 178.43 1szr s ILE 345 N 2.58 3.88 0.41 0.56 -1.09 -1.26 -5.00 121.20 121.28 1szr s ILE 345 Ca 0.55 1.71 -0.27 0.00 -2.23 0.00 0.00 60.65 60.41 1szr s ILE 345 Cb -0.24 -4.09 -0.10 0.00 -1.58 0.00 0.00 42.46 36.46 1szr s ILE 345 CO 0.20 0.34 1.47 -2.84 -1.23 0.00 0.00 174.94 172.87 1szr s PRO 346 N -0.71 3.93 -0.78 2.79 0.02 -1.26 -3.22 135.00 135.77 1szr s PRO 346 Ca 0.47 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.01 1szr s PRO 346 Cb -0.29 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1szr s PRO 346 CO 0.35 -0.66 0.00 0.09 -0.33 0.00 0.00 177.00 176.45 1szr n ASN 347 N 0.18 -5.32 -4.74 2.53 3.02 -1.26 -4.97 115.26 104.70 1szr n ASN 347 Ca 0.03 0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 54.35 1szr n ASN 347 Cb 0.40 -3.47 -0.04 0.00 -0.61 0.00 0.00 39.78 36.07 1szr n ASN 347 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1szr s GLU 348 N -2.43 4.51 0.40 3.52 -1.05 -1.20 -4.98 118.70 117.48 1szr s GLU 348 Ca 0.00 1.87 -0.25 0.00 -0.15 0.00 0.00 54.97 56.44 1szr s GLU 348 Cb 0.00 -3.23 -0.08 0.00 -0.44 0.00 0.00 34.13 30.38 1szr s GLU 348 CO 0.00 -0.04 1.16 0.15 0.95 0.00 0.00 175.26 177.48 1szr s LYS 349 N -0.48 4.04 -0.15 -4.83 1.02 -1.26 -4.98 119.74 113.10 1szr s LYS 349 Ca 0.51 1.81 -0.02 0.00 0.02 0.00 0.00 55.97 58.29 1szr s LYS 349 Cb -0.33 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 1szr s LYS 349 CO 0.38 -0.32 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.90 1szr s LEU 350 N -2.53 2.99 0.10 3.17 2.01 -1.26 -4.37 118.68 118.78 1szr s LEU 350 Ca 0.57 -0.24 0.04 0.00 0.01 0.00 0.00 54.13 54.51 1szr s LEU 350 Cb -0.30 -1.71 -0.04 0.00 0.01 0.00 0.00 46.19 44.15 1szr s LEU 350 CO 0.38 0.14 0.07 -0.31 1.01 0.00 0.00 176.35 177.64 1szr s TYR 351 N 0.51 3.13 0.08 0.29 1.51 -0.49 -4.83 117.35 117.54 1szr s TYR 351 Ca -0.06 0.04 -0.31 0.00 -1.01 0.00 0.00 57.07 55.73 1szr s TYR 351 Cb -0.15 -1.58 -0.08 0.00 -0.11 0.00 0.00 41.96 40.04 1szr s TYR 351 CO 0.03 0.51 1.54 -1.25 -1.11 0.00 0.00 175.55 175.28 1szr s PRO 352 N -2.49 4.24 0.01 -1.71 0.04 -1.26 -2.07 135.00 131.75 1szr s PRO 352 Ca 0.29 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1szr s PRO 352 Cb -0.12 -3.47 -0.01 0.00 0.04 0.00 0.00 34.50 30.95 1szr s PRO 352 CO 0.21 -0.63 -0.02 -1.12 0.04 0.00 0.00 177.00 175.48 1szr s SER 353 N 1.89 0.16 0.08 6.66 0.01 -1.01 -2.94 113.70 118.54 1szr s SER 353 Ca 0.70 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.74 1szr s SER 353 Cb -0.38 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 1szr s SER 353 CO 0.30 -0.14 0.04 -0.94 0.41 0.00 0.00 173.24 172.91 1szr s SER 354 N -0.73 5.28 -0.02 2.44 1.04 -1.06 -1.14 113.70 119.51 1szr s SER 354 Ca -0.08 -0.09 0.07 0.00 0.48 0.00 0.00 55.95 56.33 1szr s SER 354 Cb -0.05 -1.34 -0.02 0.00 0.10 0.00 0.00 66.02 64.71 1szr s SER 354 CO -0.00 0.17 -0.21 -0.69 0.98 0.00 0.00 173.24 173.49 1szr s VAL 355 N -1.35 1.69 0.08 5.02 1.01 -0.91 -1.43 120.40 124.52 1szr s VAL 355 Ca 0.27 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1szr s VAL 355 Cb -0.12 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1szr s VAL 355 CO 0.20 0.48 -0.13 0.26 0.00 0.00 0.00 175.10 175.91 1szr s TRP 356 N -0.50 1.16 0.94 5.22 0.52 0.10 -1.11 118.94 125.28 1szr s TRP 356 Ca 0.08 -0.49 -0.14 0.00 0.02 0.00 0.00 56.10 55.56 1szr s TRP 356 Cb -0.08 -0.65 0.16 0.00 -1.15 0.00 0.00 33.47 31.75 1szr s TRP 356 CO -0.01 0.05 1.22 0.20 0.02 0.00 0.00 176.95 178.43 1szr s GLY 357 N -1.87 1.66 0.00 0.98 0.00 -0.79 -0.64 107.32 106.65 1szr s GLY 357 Ca -0.01 -0.87 0.29 0.00 0.00 0.00 0.00 44.72 44.13 1szr s GLY 357 CO 0.02 -0.21 1.95 -1.55 0.00 0.00 0.00 173.10 173.31 1szr n PRO 358 N -3.77 0.59 -1.69 2.90 -0.04 -0.95 -4.65 135.00 127.39 1szr n PRO 358 Ca 0.11 -0.13 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 1szr n PRO 358 Cb 0.60 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.66 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 -2.49 2.53 0.24 0.52 -4.23 -1.26 -4.97 115.64 105.98 1szr s THR 359 Ca 0.30 0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 60.93 1szr s THR 359 Cb 0.20 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 71.22 1szr s THR 359 CO 0.47 -0.22 1.79 0.00 -0.54 0.00 0.00 174.62 176.11 1szr n ASP 361 N -4.82 3.46 0.16 0.00 -0.08 -1.26 -4.89 116.55 109.12 1szr n ASP 361 Ca 0.13 1.13 0.13 0.00 -1.51 0.00 0.00 54.79 54.68 1szr n ASP 361 Cb 0.31 -1.52 0.42 0.00 2.34 0.00 0.00 41.12 42.66 1szr n ASP 361 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1szr h GLY 362 N 4.91 0.00 2.00 0.27 0.00 -2.01 -2.85 103.07 105.39 1szr h GLY 362 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1szr h GLY 362 CO 0.81 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 175.35 1szr h LEU 363 N 0.00 0.00 -6.96 3.11 5.85 -1.99 -3.40 115.31 111.92 1szr h LEU 363 Ca 0.00 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.11 1szr h LEU 363 Cb 0.67 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1szr h LEU 363 CO 0.00 0.00 2.28 -0.67 -0.34 0.00 0.00 178.44 179.71 1szr n ASP 364 N -3.07 3.59 -4.16 1.25 -0.08 -1.08 -4.87 116.55 108.14 1szr n ASP 364 Ca 0.02 -2.79 -0.26 0.00 -1.51 0.00 0.00 54.79 50.25 1szr n ASP 364 Cb 0.38 -1.55 -0.16 0.00 2.34 0.00 0.00 41.12 42.13 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 4.59 1.69 -0.25 -0.67 0.74 -1.26 -1.88 119.66 122.62 1szr s GLN 365 Ca 0.56 -0.64 -0.03 0.00 0.05 0.00 0.00 55.36 55.30 1szr s GLN 365 Cb 0.09 -1.53 -0.17 0.00 1.10 0.00 0.00 33.01 32.50 1szr s GLN 365 CO 0.05 0.31 -0.19 -0.89 -0.55 0.00 0.00 175.29 174.02 1szr n ILE 366 N 2.94 1.53 -4.15 -2.34 5.41 -0.26 -4.86 119.36 117.62 1szr n ILE 366 Ca -0.17 -0.53 -0.15 0.00 1.00 0.00 0.00 62.75 62.90 1szr n ILE 366 Cb 0.53 -1.56 -0.13 0.00 -0.71 0.00 0.00 39.64 37.77 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 0.50 -0.09 1.39 1.01 -1.09 -4.78 120.40 114.83 1szr s VAL 367 Ca -0.35 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 1szr s VAL 367 Cb 0.10 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1szr s VAL 367 CO 0.59 -0.03 -0.11 -0.08 0.00 0.00 0.00 175.10 175.47 1szr h GLU 368 N 5.50 0.00 -1.99 2.72 4.81 -1.87 -2.41 114.58 121.33 1szr h GLU 368 Ca -0.31 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.51 1szr h GLU 368 Cb 1.19 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 30.26 1szr h GLU 368 CO 0.47 0.00 -0.74 -0.98 -0.73 0.00 0.00 179.01 177.03 1szr s ARG 369 N -1.80 0.73 -0.14 1.92 1.70 -1.23 -3.54 118.95 116.59 1szr s ARG 369 Ca -0.09 -1.17 -0.04 0.00 -0.47 0.00 0.00 55.73 53.96 1szr s ARG 369 Cb 0.01 -0.84 -0.03 0.00 -0.57 0.00 0.00 34.95 33.52 1szr s ARG 369 CO 0.13 -1.25 0.00 -0.47 -1.08 0.00 0.00 175.30 172.64 1szr s TYR 370 N 1.07 3.14 -0.48 5.89 5.04 -0.29 -4.68 117.35 127.03 1szr s TYR 370 Ca 0.21 -0.02 -0.28 0.00 -2.44 0.00 0.00 57.07 54.55 1szr s TYR 370 Cb -0.11 -1.93 0.01 0.00 0.35 0.00 0.00 41.96 40.27 1szr s TYR 370 CO -0.05 0.20 1.50 0.71 -1.34 0.00 0.00 175.55 176.57 1szr s TYR 371 N -0.09 2.21 0.20 4.97 1.51 -1.26 -2.42 117.35 122.47 1szr s TYR 371 Ca 0.04 0.60 0.11 0.00 -1.01 0.00 0.00 57.07 56.80 1szr s TYR 371 Cb -0.13 -4.30 -0.04 0.00 -0.11 0.00 0.00 41.96 37.38 1szr s TYR 371 CO 0.02 -2.13 -0.22 -0.51 -1.11 0.00 0.00 175.55 171.60 1szr s LEU 372 N 6.20 2.46 0.68 -1.29 1.43 -0.88 -4.86 118.68 122.41 1szr s LEU 372 Ca 0.61 -0.89 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 1szr s LEU 372 Cb -0.13 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.03 1szr s LEU 372 CO 0.29 0.07 1.08 -2.16 0.23 0.00 0.00 176.35 175.86 1szr s PRO 373 N -2.83 2.81 0.01 1.29 0.04 -1.26 -1.40 135.00 133.66 1szr s PRO 373 Ca 0.21 1.20 -0.35 0.00 0.04 0.00 0.00 61.00 62.10 1szr s PRO 373 Cb -0.07 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.37 1szr s PRO 373 CO 0.10 -1.22 1.65 -1.91 0.04 0.00 0.00 177.00 175.66 1szr n GLU 374 N -2.75 1.83 -3.78 4.56 2.13 -1.26 -4.90 120.64 116.47 1szr n GLU 374 Ca 0.09 0.66 -0.23 0.00 0.66 0.00 0.00 57.16 58.34 1szr n GLU 374 Cb 0.53 -2.42 -0.03 0.00 0.27 0.00 0.00 31.44 29.78 1szr n GLU 374 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 1szr s MET 375 N 2.20 2.38 0.18 5.31 -1.94 -1.26 -5.15 119.30 121.02 1szr s MET 375 Ca 0.87 -1.74 0.05 0.00 -1.71 0.00 0.00 55.69 53.16 1szr s MET 375 Cb -0.79 -2.21 -0.05 0.00 2.01 0.00 0.00 34.83 33.79 1szr s MET 375 CO 0.48 -0.29 -0.08 -0.65 -0.01 0.00 0.00 175.02 174.47 1szr s GLN 376 N -4.12 1.19 0.09 2.03 -1.52 -1.26 -5.10 119.66 110.96 1szr s GLN 376 Ca 0.43 -1.55 -0.31 0.00 -1.95 0.00 0.00 55.36 51.99 1szr s GLN 376 Cb -0.01 -0.70 -0.07 0.00 -0.22 0.00 0.00 33.01 32.01 1szr s GLN 376 CO 0.25 0.04 1.32 0.08 -0.25 0.00 0.00 175.29 176.72 1szr s VAL 377 N -3.30 3.61 0.00 1.09 1.01 -1.26 -2.64 120.40 118.91 1szr s VAL 377 Ca 0.21 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1szr s VAL 377 Cb 0.03 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1szr s VAL 377 CO 0.04 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1szr n GLY 378 N 3.40 2.76 3.91 4.51 0.00 -0.78 -5.04 105.19 113.95 1szr n GLY 378 Ca 0.11 0.00 -0.28 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 -0.46 2.23 0.04 1.61 2.02 -1.08 -4.83 118.70 118.22 1szr s GLU 379 Ca 0.00 0.07 0.08 0.00 0.02 0.00 0.00 54.97 55.14 1szr s GLU 379 Cb 0.00 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 1szr s GLU 379 CO 0.00 -1.36 -0.24 -1.58 0.02 0.00 0.00 175.26 172.10 1szr s TRP 380 N -3.42 2.07 0.04 1.61 0.52 -1.26 -1.02 118.94 117.48 1szr s TRP 380 Ca 0.60 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 56.39 1szr s TRP 380 Cb -0.11 -1.25 -0.03 0.00 -1.15 0.00 0.00 33.47 30.93 1szr s TRP 380 CO 0.48 0.10 -0.13 -0.51 0.02 0.00 0.00 176.95 176.91 1szr s LEU 381 N -1.16 2.84 -0.02 2.99 1.43 0.02 -2.41 118.68 122.37 1szr s LEU 381 Ca 0.10 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 52.94 1szr s LEU 381 Cb -0.09 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1szr s LEU 381 CO 0.02 0.25 -0.26 -0.76 0.23 0.00 0.00 176.35 175.83 1szr s LEU 382 N -1.54 2.05 -0.22 1.79 1.43 0.18 -0.86 118.68 121.51 1szr s LEU 382 Ca 0.16 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1szr s LEU 382 Cb -0.11 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.82 1szr s LEU 382 CO 0.07 0.31 -0.11 -0.36 0.23 0.00 0.00 176.35 176.50 1szr s PHE 383 N -0.56 2.66 0.74 0.29 0.40 0.67 -0.61 117.98 121.57 1szr s PHE 383 Ca 0.08 -1.81 -0.10 0.00 -0.60 0.00 0.00 56.93 54.50 1szr s PHE 383 Cb -0.10 -1.73 0.05 0.00 0.51 0.00 0.00 43.02 41.75 1szr s PHE 383 CO -0.00 -0.79 1.10 -1.21 0.70 0.00 0.00 175.22 175.02 1szr s GLU 384 N 1.31 2.34 -1.16 0.44 2.02 -1.26 -0.55 118.70 121.83 1szr s GLU 384 Ca -0.03 0.13 -0.08 0.00 0.02 0.00 0.00 54.97 55.01 1szr s GLU 384 Cb -0.17 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 1szr s GLU 384 CO -0.08 -1.30 0.83 -0.25 0.02 0.00 0.00 175.26 174.49 1szr n ASP 385 N -3.10 -4.28 -1.10 -0.19 8.00 -1.18 -4.89 116.55 109.81 1szr n ASP 385 Ca 0.07 -0.82 0.03 0.00 0.71 0.00 0.00 54.79 54.78 1szr n ASP 385 Cb 0.60 -4.36 0.13 0.00 -0.02 0.00 0.00 41.12 37.46 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 -3.88 1.19 -0.00 -1.24 2.81 -0.68 -4.77 117.12 110.54 1szr n MET 386 Ca -0.16 -2.93 0.10 0.00 -1.81 0.00 0.00 57.70 52.90 1szr n MET 386 Cb 0.63 -1.11 -0.13 0.00 -0.71 0.00 0.00 33.22 31.91 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 -0.51 -0.91 3.61 3.03 0.00 -0.93 -4.66 105.19 104.82 1szr n GLY 387 Ca 0.16 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.08 3.56 -1.45 4.61 0.00 -1.26 -4.46 121.76 119.68 1szr s ALA 388 Ca 0.02 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 1szr s ALA 388 Cb 0.15 -2.47 0.05 0.00 0.00 0.00 0.00 23.12 20.84 1szr s ALA 388 CO 0.84 -0.45 0.71 0.66 0.00 0.00 0.00 175.76 177.51 1szr n TYR 389 N 4.85 -2.08 -0.03 0.00 4.02 -0.64 -4.89 117.16 118.39 1szr n TYR 389 Ca -0.13 0.64 -0.08 0.00 -0.01 0.00 0.00 57.90 58.31 1szr n TYR 389 Cb 0.52 -3.94 -0.03 0.00 -0.02 0.00 0.00 39.34 35.87 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 -4.42 0.85 1.57 -0.72 -2.24 -1.26 -4.07 114.28 104.00 1szr n THR 390 Ca -0.04 0.02 0.06 0.00 -2.27 0.00 0.00 64.05 61.82 1szr n THR 390 Cb 0.57 -1.73 0.26 0.00 -2.10 0.00 0.00 70.33 67.33 1szr n THR 390 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1szr n VAL 391 N -3.61 0.15 -0.03 2.28 0.24 -1.26 -3.96 118.33 112.15 1szr n VAL 391 Ca -0.15 -0.18 -0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1szr n VAL 391 Cb 0.48 0.06 -0.08 0.00 -1.47 0.00 0.00 33.84 32.83 1szr n VAL 391 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1szr n VAL 392 N -0.16 0.36 -0.60 3.34 0.24 -1.26 -4.65 118.33 115.60 1szr n VAL 392 Ca 0.10 -0.33 0.08 0.00 -2.04 0.00 0.00 64.34 62.15 1szr n VAL 392 Cb 0.16 -0.28 0.28 0.00 -1.47 0.00 0.00 33.84 32.53 1szr n VAL 392 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1szr n GLY 393 N 2.17 3.07 3.83 7.63 0.00 -1.25 -5.02 105.19 115.62 1szr n GLY 393 Ca -0.09 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.87 4.24 0.30 2.61 -4.23 -1.26 -4.88 115.64 110.55 1szr s THR 394 Ca 0.42 0.84 0.03 0.00 -1.18 0.00 0.00 61.69 61.80 1szr s THR 394 Cb 0.28 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 1szr s THR 394 CO 0.19 -0.84 0.15 -0.94 -0.54 0.00 0.00 174.62 172.64 1szr s SER 395 N -3.57 1.56 -0.66 3.99 1.04 -0.37 -5.00 113.70 110.69 1szr s SER 395 Ca 0.58 -1.54 -0.00 0.00 0.48 0.00 0.00 55.95 55.47 1szr s SER 395 Cb -0.13 0.36 0.42 0.00 0.10 0.00 0.00 66.02 66.77 1szr s SER 395 CO 0.47 -0.87 1.86 -1.54 0.98 0.00 0.00 173.24 174.15 1szr n SER 396 N -0.90 7.10 -4.77 7.02 3.41 -1.26 -4.55 113.62 119.68 1szr n SER 396 Ca 0.01 -3.79 -0.39 0.00 -0.26 0.00 0.00 58.87 54.43 1szr n SER 396 Cb 0.65 -0.89 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 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 -3.85 3.28 0.00 7.33 5.36 -1.26 -2.44 117.98 126.40 1szr s PHE 397 Ca 0.58 1.60 0.00 0.00 -0.96 0.00 0.00 56.93 58.16 1szr s PHE 397 Cb 0.47 -3.35 0.00 0.00 -0.34 0.00 0.00 43.02 39.80 1szr s PHE 397 CO -0.13 -1.00 0.00 0.09 -1.46 0.00 0.00 175.22 172.71 1szr n ASN 398 N 0.54 -1.13 0.00 6.13 5.03 -1.26 -2.63 115.26 121.93 1szr n ASN 398 Ca 0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.47 1szr n ASN 398 Cb 0.46 -1.87 0.00 0.00 -1.02 0.00 0.00 39.78 37.35 1szr n ASN 398 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1szr n GLY 399 N -1.62 0.80 3.77 7.41 0.00 -1.02 -5.05 105.19 109.48 1szr n GLY 399 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.09 3.43 0.17 1.61 0.40 -1.08 -5.04 117.98 114.38 1szr s PHE 400 Ca 0.00 1.69 -0.09 0.00 -0.60 0.00 0.00 56.93 57.93 1szr s PHE 400 Cb 0.00 -3.13 -0.06 0.00 0.51 0.00 0.00 43.02 40.34 1szr s PHE 400 CO 0.00 -0.45 0.47 -0.65 0.70 0.00 0.00 175.22 175.30 1szr s GLN 401 N -2.13 3.76 0.29 0.44 -1.52 -1.26 -4.48 119.66 114.76 1szr s GLN 401 Ca 0.53 0.17 -0.29 0.00 -1.95 0.00 0.00 55.36 53.82 1szr s GLN 401 Cb -0.24 -2.79 -0.09 0.00 -0.22 0.00 0.00 33.01 29.66 1szr s GLN 401 CO 0.30 0.42 1.06 -1.54 -0.25 0.00 0.00 175.29 175.29 1szr s SER 402 N -2.22 7.27 0.40 5.90 1.04 -1.26 -4.99 113.70 119.84 1szr s SER 402 Ca 0.42 2.18 -0.26 0.00 0.48 0.00 0.00 55.95 58.77 1szr s SER 402 Cb -0.12 -2.62 -0.10 0.00 0.10 0.00 0.00 66.02 63.28 1szr s SER 402 CO 0.21 -0.14 1.24 -2.65 0.98 0.00 0.00 173.24 172.89 1szr n PRO 403 N 1.07 1.89 -2.59 4.02 -0.02 -1.26 -4.97 135.00 133.14 1szr n PRO 403 Ca -0.00 0.67 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 1szr n PRO 403 Cb 0.46 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 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 3.79 -0.24 3.45 2.01 -1.25 -4.75 115.64 117.48 1szr s THR 404 Ca 0.60 1.47 -0.10 0.00 0.31 0.00 0.00 61.69 63.96 1szr s THR 404 Cb -0.53 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 1szr s THR 404 CO 0.59 0.10 0.15 -0.63 -0.69 0.00 0.00 174.62 174.14 1szr s ILE 405 N -1.56 5.29 0.14 1.82 1.01 -1.26 -1.38 121.20 125.26 1szr s ILE 405 Ca 0.54 0.16 0.06 0.00 0.00 0.00 0.00 60.65 61.41 1szr s ILE 405 Cb -0.23 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1szr s ILE 405 CO 0.29 0.36 -0.01 -0.31 0.00 0.00 0.00 174.94 175.26 1szr s TYR 406 N 1.01 2.88 0.03 3.97 1.51 -0.67 -4.97 117.35 121.11 1szr s TYR 406 Ca 0.07 -0.10 0.09 0.00 -1.01 0.00 0.00 57.07 56.12 1szr s TYR 406 Cb -0.13 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.25 1szr s TYR 406 CO 0.04 0.49 -0.25 0.71 -1.11 0.00 0.00 175.55 175.43 1szr s TYR 407 N -1.52 2.20 -2.00 2.71 1.51 -1.26 -1.57 117.35 117.41 1szr s TYR 407 Ca 0.26 -0.41 0.23 0.00 -1.01 0.00 0.00 57.07 56.14 1szr s TYR 407 Cb -0.10 -1.34 1.35 0.00 -0.11 0.00 0.00 41.96 41.76 1szr s TYR 407 CO 0.18 0.08 1.72 0.28 -1.11 0.00 0.00 175.55 176.70