#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xds s GLU 11 N 0.00 3.26 -0.09 3.23 2.12 -1.26 -5.08 118.70 120.89 1xds s GLU 11 Ca 0.00 -0.77 -0.35 0.00 0.36 0.00 0.00 54.97 54.21 1xds s GLU 11 Cb 0.00 -3.59 -0.12 0.00 0.26 0.00 0.00 34.13 30.68 1xds s GLU 11 CO 0.00 -0.46 1.83 -2.30 -0.54 0.00 0.00 175.26 173.80 1xds n PRO 12 N 4.98 2.03 -1.47 4.30 -0.02 -1.26 -5.01 135.00 138.56 1xds n PRO 12 Ca -0.14 0.74 -0.30 0.00 -2.02 0.00 0.00 63.50 61.79 1xds n PRO 12 Cb 0.49 -2.56 0.21 0.00 -0.02 0.00 0.00 33.50 31.62 1xds n PRO 12 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xds s THR 13 N 3.72 1.79 0.17 3.45 -4.23 -1.26 -4.95 115.64 114.32 1xds s THR 13 Ca 0.92 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.31 1xds s THR 13 Cb -0.74 -2.72 0.07 0.00 1.34 0.00 0.00 72.50 70.44 1xds s THR 13 CO 0.52 0.00 1.74 0.44 -0.54 0.00 0.00 174.62 176.78 1xds h ASP 14 N -2.14 0.76 -0.73 3.99 5.19 -2.01 -2.97 116.42 118.51 1xds h ASP 14 Ca -0.45 -0.15 0.12 0.00 -0.62 0.00 0.00 57.03 55.94 1xds h ASP 14 Cb 1.27 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 40.54 1xds h ASP 14 CO 0.37 0.69 0.48 -0.61 -3.12 0.00 0.00 179.24 177.05 1xds h GLN 15 N 0.77 0.50 0.00 3.56 -0.00 -1.99 -1.69 115.11 116.26 1xds h GLN 15 Ca 0.19 -0.03 -0.16 0.00 -0.00 0.00 0.00 58.65 58.65 1xds h GLN 15 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.49 1xds h GLN 15 CO -0.02 0.33 -0.78 -0.44 0.00 0.00 0.00 178.83 177.92 1xds h ASP 16 N 0.52 0.00 -0.18 -0.69 3.32 -1.89 -2.37 116.42 115.12 1xds h ASP 16 Ca 0.35 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.26 1xds h ASP 16 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1xds h ASP 16 CO -0.12 0.78 -0.42 0.25 -1.72 0.00 0.00 179.24 178.02 1xds h LEU 17 N 0.00 0.67 -0.75 1.55 5.85 -1.36 -2.85 115.31 118.43 1xds h LEU 17 Ca -0.01 -0.57 0.12 0.00 0.84 0.00 0.00 57.88 58.26 1xds h LEU 17 Cb 1.50 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 1xds h LEU 17 CO 0.10 1.12 0.35 -0.78 -0.34 0.00 0.00 178.44 178.89 1xds h ASP 18 N 0.26 0.41 -0.23 1.25 3.58 -1.24 -2.10 116.42 118.36 1xds h ASP 18 Ca -0.00 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 1xds h ASP 18 Cb 1.03 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 1xds h ASP 18 CO 0.09 0.21 -0.18 0.58 -2.88 0.00 0.00 179.24 177.05 1xds h VAL 19 N 0.55 1.32 -0.80 2.25 2.07 -1.45 -2.12 116.25 118.07 1xds h VAL 19 Ca 0.39 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1xds h VAL 19 Cb 0.49 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1xds h VAL 19 CO -0.33 0.41 0.44 0.25 0.02 0.00 0.00 177.57 178.36 1xds h LEU 20 N 0.22 0.99 0.15 2.57 5.85 -1.26 -0.53 115.31 123.30 1xds h LEU 20 Ca 0.04 -0.08 -0.30 0.00 0.84 0.00 0.00 57.88 58.38 1xds h LEU 20 Cb 0.72 -0.25 0.02 0.00 0.37 0.00 0.00 40.66 41.52 1xds h LEU 20 CO 0.05 0.79 -1.32 -0.07 -0.34 0.00 0.00 178.44 177.55 1xds h LEU 21 N 1.12 0.69 0.00 2.25 3.38 -1.31 0.33 115.31 121.78 1xds h LEU 21 Ca 0.28 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1xds h LEU 21 Cb 0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1xds h LEU 21 CO -0.05 1.54 -1.26 0.29 0.09 0.00 0.00 178.44 179.06 1xds n LYS 22 N -3.67 0.62 0.00 1.13 5.02 -0.80 -4.07 118.16 116.38 1xds n LYS 22 Ca -0.13 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1xds n LYS 22 Cb 1.03 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 1xds n LYS 22 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1xds n ASN 23 N -2.63 0.00 0.22 4.39 4.05 -0.24 -4.73 115.26 116.33 1xds n ASN 23 Ca -0.02 0.00 0.06 0.00 0.45 0.00 0.00 54.58 55.06 1xds n ASN 23 Cb 0.60 0.00 0.51 0.00 1.23 0.00 0.00 39.78 42.11 1xds n ASN 23 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1xds h LEU 24 N 0.00 0.00 -1.04 1.20 3.38 -1.51 -2.43 115.31 114.91 1xds h LEU 24 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xds h LEU 24 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xds h LEU 24 CO 0.00 0.19 -0.26 0.61 0.09 0.00 0.00 178.44 179.07 1xds n GLY 25 N -0.96 0.02 3.52 0.83 0.00 0.12 -4.94 105.19 103.78 1xds n GLY 25 Ca -0.02 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1xds n GLY 25 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xds s ASN 26 N -1.79 6.23 0.13 1.61 3.04 -0.92 -4.86 114.94 118.39 1xds s ASN 26 Ca 0.15 -0.53 0.24 0.00 0.04 0.00 0.00 52.86 52.75 1xds s ASN 26 Cb 0.13 -2.49 0.26 0.00 -1.54 0.00 0.00 41.25 37.61 1xds s ASN 26 CO 0.36 -1.56 1.25 0.25 -3.04 0.00 0.00 177.10 174.36 1xds h LEU 27 N 12.00 0.00 0.04 3.21 5.85 -1.91 -3.41 115.31 131.09 1xds h LEU 27 Ca -0.28 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1xds h LEU 27 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1xds h LEU 27 CO 1.20 0.09 -0.02 0.58 -0.34 0.00 0.00 178.44 179.96 1xds h VAL 28 N 0.00 1.35 -0.29 1.05 2.07 -1.98 -3.36 116.25 115.08 1xds h VAL 28 Ca 0.00 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 66.00 1xds h VAL 28 Cb 0.79 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 1xds h VAL 28 CO 0.00 0.38 0.08 0.74 0.02 0.00 0.00 177.57 178.79 1xds h THR 29 N -0.78 0.89 0.00 2.57 2.02 -1.95 0.28 112.91 115.94 1xds h THR 29 Ca -0.01 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1xds h THR 29 Cb 0.66 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1xds h THR 29 CO 0.01 0.04 0.00 -0.81 0.37 0.00 0.00 175.52 175.13 1xds n PRO 30 N -5.05 0.00 0.00 6.66 -0.04 -1.26 -0.68 135.00 134.63 1xds n PRO 30 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xds n PRO 30 Cb 0.12 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1xds n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xds n ALA 32 N 1.08 0.00 -0.18 0.55 0.00 0.09 -2.04 120.51 120.00 1xds n ALA 32 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1xds n ALA 32 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1xds n ALA 32 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xds h LEU 33 N 0.00 0.87 -0.27 0.00 -0.00 -1.17 -1.64 115.31 113.10 1xds h LEU 33 Ca 0.00 -0.29 -0.08 0.00 -0.00 0.00 0.00 57.88 57.51 1xds h LEU 33 Cb 0.00 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.42 1xds h LEU 33 CO 0.00 0.95 -0.14 0.03 -0.00 0.00 0.00 178.44 179.28 1xds h ARG 34 N 0.77 0.58 -0.88 1.13 3.08 -1.66 0.10 114.38 117.50 1xds h ARG 34 Ca 0.15 -0.26 0.08 0.00 0.07 0.00 0.00 59.98 60.02 1xds h ARG 34 Cb 0.49 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.46 1xds h ARG 34 CO 0.02 0.83 0.53 0.28 -1.07 0.00 0.00 179.97 180.57 1xds h VAL 35 N 0.32 0.99 -0.44 2.04 2.07 -1.83 -0.74 116.25 118.66 1xds h VAL 35 Ca 0.06 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 1xds h VAL 35 Cb 0.66 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1xds h VAL 35 CO 0.04 0.17 -0.28 0.00 0.02 0.00 0.00 177.57 177.52 1xds h ALA 36 N 1.44 0.67 -0.83 1.67 0.00 -0.87 -1.09 119.26 120.24 1xds h ALA 36 Ca 0.40 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xds h ALA 36 Cb 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1xds h ALA 36 CO -0.21 0.67 0.51 0.00 0.00 0.00 0.00 179.25 180.23 1xds h ALA 37 N 0.87 1.34 -0.07 0.00 0.00 -0.73 -2.16 119.26 118.50 1xds h ALA 37 Ca 0.09 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1xds h ALA 37 Cb 0.86 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1xds h ALA 37 CO 0.08 0.58 -0.74 1.15 0.00 0.00 0.00 179.25 180.32 1xds h THR 38 N 1.15 1.33 0.00 0.00 2.02 -0.54 -2.61 112.91 114.26 1xds h THR 38 Ca 0.30 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.46 1xds h THR 38 Cb -0.07 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1xds h THR 38 CO -0.06 0.62 0.00 0.18 0.37 0.00 0.00 175.52 176.63 1xds n LEU 39 N -4.06 0.00 -3.51 2.58 4.77 -0.47 -4.90 117.00 111.42 1xds n LEU 39 Ca -0.09 0.20 -0.24 0.00 -0.03 0.00 0.00 56.01 55.85 1xds n LEU 39 Cb 0.73 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1xds n LEU 39 CO 0.51 -0.02 0.17 0.54 -1.33 0.00 0.00 177.39 177.26 1xds n ARG 40 N -1.20 -6.95 -0.16 3.23 1.74 -0.90 -4.89 116.66 107.53 1xds n ARG 40 Ca 0.15 0.81 -0.05 0.00 -0.77 0.00 0.00 57.85 58.00 1xds n ARG 40 Cb 0.18 -5.81 0.05 0.00 -1.02 0.00 0.00 32.46 25.86 1xds n ARG 40 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1xds h LEU 41 N -2.32 0.36 -0.41 0.55 4.07 -1.67 -1.83 115.31 114.05 1xds h LEU 41 Ca -0.56 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.41 1xds h LEU 41 Cb 1.37 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 43.05 1xds h LEU 41 CO 0.58 0.25 0.21 0.58 -1.08 0.00 0.00 178.44 178.98 1xds h VAL 42 N 0.49 1.17 -0.55 1.22 2.07 -1.86 -2.41 116.25 116.38 1xds h VAL 42 Ca 0.21 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1xds h VAL 42 Cb 0.12 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1xds h VAL 42 CO -0.15 0.18 0.29 0.44 0.02 0.00 0.00 177.57 178.35 1xds h ASP 43 N 0.53 0.67 -0.05 0.57 3.32 -1.65 -1.87 116.42 117.94 1xds h ASP 43 Ca 0.14 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 1xds h ASP 43 Cb 0.09 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1xds h ASP 43 CO -0.02 0.55 -0.53 0.45 -1.72 0.00 0.00 179.24 177.97 1xds h HIS 44 N 0.76 0.78 -0.47 4.55 3.86 -1.11 -1.90 115.15 121.63 1xds h HIS 44 Ca 0.19 -0.27 -0.10 0.00 -1.16 0.00 0.00 60.37 59.03 1xds h HIS 44 Cb 0.04 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1xds h HIS 44 CO 0.00 1.02 -0.13 -0.07 0.86 0.00 0.00 177.93 179.62 1xds h LEU 45 N 0.49 0.87 -0.93 2.43 3.38 -1.16 -2.38 115.31 118.02 1xds h LEU 45 Ca 0.01 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 1xds h LEU 45 Cb 1.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1xds h LEU 45 CO 0.10 1.01 -0.53 -0.07 0.09 0.00 0.00 178.44 179.05 1xds h LEU 46 N 0.78 0.02 -0.97 1.67 3.38 -1.19 -3.06 115.31 115.93 1xds h LEU 46 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xds h LEU 46 Cb 0.65 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xds h LEU 46 CO 0.05 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.12 1xds n ALA 47 N -2.44 2.47 0.00 1.53 0.00 -0.73 -4.89 120.51 116.45 1xds n ALA 47 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1xds n ALA 47 Cb 0.54 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1xds n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xds n GLY 48 N 0.96 1.53 3.67 0.00 0.00 -1.16 -5.06 105.19 105.13 1xds n GLY 48 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 1xds n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xds n ALA 49 N 0.00 1.39 -0.03 4.61 0.00 -0.90 -4.84 120.51 120.73 1xds n ALA 49 Ca 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 53.44 53.65 1xds n ALA 49 Cb 0.00 -2.62 -0.07 0.00 0.00 0.00 0.00 19.45 16.76 1xds n ALA 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xds n ASP 50 N 7.17 2.92 -4.97 0.00 -0.08 -1.26 -4.48 116.55 115.85 1xds n ASP 50 Ca 0.21 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.30 1xds n ASP 50 Cb 0.37 0.83 -0.01 0.00 2.34 0.00 0.00 41.12 44.66 1xds n ASP 50 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1xds s THR 51 N -2.28 3.66 0.08 5.18 -4.23 -1.26 -3.95 115.64 112.83 1xds s THR 51 Ca -0.04 -1.06 -0.19 0.00 -1.18 0.00 0.00 61.69 59.23 1xds s THR 51 Cb 0.03 -3.26 -0.09 0.00 1.34 0.00 0.00 72.50 70.52 1xds s THR 51 CO 0.35 -0.11 1.49 0.25 -0.54 0.00 0.00 174.62 176.06 1xds h LEU 52 N 0.87 0.43 -0.31 4.79 5.85 -2.00 -3.04 115.31 121.90 1xds h LEU 52 Ca -0.44 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 57.99 1xds h LEU 52 Cb 1.26 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1xds h LEU 52 CO 0.51 0.67 0.01 0.00 -0.34 0.00 0.00 178.44 179.29 1xds h ALA 53 N 0.77 0.28 -0.43 1.25 0.00 -1.95 -1.57 119.26 117.62 1xds h ALA 53 Ca 0.06 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xds h ALA 53 Cb 0.47 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1xds h ALA 53 CO 0.02 -0.40 0.13 0.78 0.00 0.00 0.00 179.25 179.78 1xds h GLY 54 N 0.10 0.72 -0.08 0.00 0.00 -1.98 -2.29 103.07 99.54 1xds h GLY 54 Ca 0.15 -0.43 0.11 0.00 0.00 0.00 0.00 47.33 47.16 1xds h GLY 54 CO -0.24 0.40 -0.10 1.41 0.00 0.00 0.00 176.54 178.01 1xds h LEU 55 N 0.55 -0.45 -1.04 3.11 3.38 -1.39 -0.69 115.31 118.78 1xds h LEU 55 Ca 0.14 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1xds h LEU 55 Cb 0.28 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1xds h LEU 55 CO -0.00 -0.16 0.33 0.00 0.09 0.00 0.00 178.44 178.69 1xds h ALA 56 N 1.55 1.25 -0.06 1.53 0.00 -0.85 -0.67 119.26 122.01 1xds h ALA 56 Ca 0.27 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 1xds h ALA 56 Cb 0.42 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xds h ALA 56 CO -0.55 0.57 -0.92 0.22 0.00 0.00 0.00 179.25 178.56 1xds h ASP 57 N 1.00 0.86 0.08 0.00 3.58 -1.15 -1.73 116.42 119.06 1xds h ASP 57 Ca 0.24 -0.64 -0.04 0.00 0.42 0.00 0.00 57.03 57.02 1xds h ASP 57 Cb 0.11 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 1xds h ASP 57 CO -0.03 1.43 -0.14 0.03 -2.88 0.00 0.00 179.24 177.66 1xds h ARG 58 N 0.42 0.13 -0.01 0.28 3.08 -0.50 -2.79 114.38 114.99 1xds h ARG 58 Ca -0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1xds h ARG 58 Cb 1.56 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.59 1xds h ARG 58 CO 0.18 0.28 -0.40 0.25 -1.07 0.00 0.00 179.97 179.20 1xds n THR 59 N -4.31 0.00 -3.68 2.04 -2.24 -0.31 -4.99 114.28 100.79 1xds n THR 59 Ca -0.01 -0.30 -0.27 0.00 -2.27 0.00 0.00 64.05 61.20 1xds n THR 59 Cb 0.25 1.23 0.04 0.00 -2.10 0.00 0.00 70.33 69.74 1xds n THR 59 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xds n ASP 60 N -0.04 -3.98 -4.43 3.42 2.03 -0.72 -5.01 116.55 107.81 1xds n ASP 60 Ca 0.08 -0.95 -0.22 0.00 0.52 0.00 0.00 54.79 54.22 1xds n ASP 60 Cb 0.41 -3.65 -0.10 0.00 -0.72 0.00 0.00 41.12 37.06 1xds n ASP 60 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1xds s THR 61 N -3.57 1.93 -0.23 5.18 -4.23 -0.78 -5.06 115.64 108.88 1xds s THR 61 Ca 0.32 -2.21 -0.29 0.00 -1.18 0.00 0.00 61.69 58.33 1xds s THR 61 Cb -0.10 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 1xds s THR 61 CO 0.84 -0.38 1.78 -2.28 -0.54 0.00 0.00 174.62 174.05 1xds s HIS 62 N -2.84 1.81 0.20 3.99 2.46 -1.26 -4.75 115.29 114.91 1xds s HIS 62 Ca 0.28 0.48 -0.15 0.00 0.47 0.00 0.00 55.06 56.14 1xds s HIS 62 Cb 0.01 -4.04 0.21 0.00 -0.13 0.00 0.00 32.58 28.62 1xds s HIS 62 CO 0.12 -3.33 1.63 -1.35 -2.47 0.00 0.00 174.74 169.33 1xds h PRO 63 N 11.95 -0.03 -0.36 2.88 0.11 -1.96 0.18 132.00 144.77 1xds h PRO 63 Ca -0.36 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.61 1xds h PRO 63 Cb 1.18 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1xds h PRO 63 CO 1.00 -0.02 -0.33 0.37 -0.21 0.00 0.00 178.00 178.81 1xds h GLN 64 N -0.03 0.80 -0.39 1.05 4.15 -1.99 -1.97 115.11 116.74 1xds h GLN 64 Ca 0.28 -0.38 -0.07 0.00 0.77 0.00 0.00 58.65 59.25 1xds h GLN 64 Cb 0.46 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1xds h GLN 64 CO -0.63 1.01 -0.02 0.00 -1.93 0.00 0.00 178.83 177.27 1xds h ALA 65 N 0.95 0.52 -0.64 3.38 0.00 -1.70 -2.34 119.26 119.43 1xds h ALA 65 Ca 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xds h ALA 65 Cb 0.88 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1xds h ALA 65 CO 0.08 0.31 0.39 1.25 0.00 0.00 0.00 179.25 181.28 1xds h LEU 66 N 0.51 0.76 -1.77 0.00 5.85 -0.66 -1.76 115.31 118.24 1xds h LEU 66 Ca 0.11 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1xds h LEU 66 Cb 0.50 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1xds h LEU 66 CO 0.02 0.59 -0.16 0.77 -0.34 0.00 0.00 178.44 179.33 1xds h SER 67 N 0.86 0.00 0.89 1.25 4.64 -1.18 0.97 113.55 120.99 1xds h SER 67 Ca 0.23 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.32 1xds h SER 67 Cb -0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1xds h SER 67 CO -0.04 0.16 -1.10 0.03 -0.87 0.00 0.00 176.83 175.00 1xds h ARG 68 N 0.00 0.05 -0.22 4.77 3.08 -0.86 -1.78 114.38 119.41 1xds h ARG 68 Ca -0.00 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1xds h ARG 68 Cb 0.36 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1xds h ARG 68 CO 0.02 1.00 -0.01 1.25 -1.07 0.00 0.00 179.97 181.16 1xds h LEU 69 N 0.01 0.39 -1.00 3.04 5.85 -0.59 -2.83 115.31 120.18 1xds h LEU 69 Ca -0.06 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.38 1xds h LEU 69 Cb 1.83 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.69 1xds h LEU 69 CO 0.14 0.61 0.66 0.58 -0.34 0.00 0.00 178.44 180.09 1xds h VAL 70 N 0.15 1.18 -0.36 1.05 2.07 -0.84 0.11 116.25 119.61 1xds h VAL 70 Ca 0.06 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1xds h VAL 70 Cb 0.42 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1xds h VAL 70 CO 0.01 0.23 0.21 0.03 0.02 0.00 0.00 177.57 178.08 1xds h ARG 71 N 1.28 0.49 -0.90 1.57 2.47 -1.33 0.11 114.38 118.07 1xds h ARG 71 Ca 0.39 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 59.08 1xds h ARG 71 Cb -0.02 -0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 28.16 1xds h ARG 71 CO -0.12 0.38 0.59 1.25 0.56 0.00 0.00 179.97 182.63 1xds h HIS 72 N 0.47 1.12 -0.03 3.04 2.76 -1.17 -0.92 115.15 120.41 1xds h HIS 72 Ca 0.13 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.23 1xds h HIS 72 Cb 0.01 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.58 1xds h HIS 72 CO -0.04 0.69 -0.44 -0.07 -1.30 0.00 0.00 177.93 176.77 1xds h LEU 73 N 1.20 0.08 -0.20 0.26 3.38 -0.49 -2.17 115.31 117.37 1xds h LEU 73 Ca 0.33 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 1xds h LEU 73 Cb -0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1xds h LEU 73 CO -0.08 0.51 -0.24 0.74 0.09 0.00 0.00 178.44 179.46 1xds h THR 74 N 0.06 1.33 -0.30 0.22 2.02 -0.44 -0.73 112.91 115.08 1xds h THR 74 Ca 0.00 -1.43 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 1xds h THR 74 Cb 0.81 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 1xds h THR 74 CO 0.06 0.44 0.17 0.58 0.37 0.00 0.00 175.52 177.14 1xds h VAL 75 N 0.17 1.11 -0.01 3.16 2.07 -1.03 -2.75 116.25 118.98 1xds h VAL 75 Ca 0.03 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1xds h VAL 75 Cb 0.80 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1xds h VAL 75 CO 0.06 0.11 0.00 1.33 0.02 0.00 0.00 177.57 179.09 1xds n VAL 76 N -4.83 0.01 -0.16 2.57 0.24 -0.83 -4.91 118.33 110.41 1xds n VAL 76 Ca -0.02 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1xds n VAL 76 Cb 0.06 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 1xds n VAL 76 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xds n GLY 77 N 0.98 0.91 0.13 7.63 0.00 -1.04 -4.98 105.19 108.83 1xds n GLY 77 Ca 0.21 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1xds n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xds n VAL 78 N -2.16 1.75 -4.43 1.61 0.31 -0.32 -4.34 118.33 110.75 1xds n VAL 78 Ca 0.00 -0.66 -0.24 0.00 -0.01 0.00 0.00 64.34 63.43 1xds n VAL 78 Cb 0.00 -1.66 -0.10 0.00 -0.91 0.00 0.00 33.84 31.18 1xds n VAL 78 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xds s LEU 79 N -6.93 2.68 0.31 7.52 1.43 -0.97 -1.47 118.68 121.26 1xds s LEU 79 Ca -0.22 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 51.90 1xds s LEU 79 Cb 0.07 -1.22 -0.00 0.00 0.03 0.00 0.00 46.19 45.07 1xds s LEU 79 CO 0.76 0.04 0.44 -1.83 0.23 0.00 0.00 176.35 175.99 1xds s GLU 80 N -3.44 1.78 0.00 1.70 -1.05 -0.62 -4.08 118.70 112.99 1xds s GLU 80 Ca 0.29 -1.67 0.00 0.00 -0.15 0.00 0.00 54.97 53.44 1xds s GLU 80 Cb -0.06 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1xds s GLU 80 CO 0.15 -0.72 0.00 0.41 0.95 0.00 0.00 175.26 176.05 1xds n GLY 81 N -0.51 0.00 5.23 -3.83 0.00 -1.26 -1.88 105.19 102.95 1xds n GLY 81 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1xds n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xds n GLY 82 N -0.69 0.80 0.18 -0.02 0.00 -1.25 -4.86 105.19 99.35 1xds n GLY 82 Ca 0.00 0.63 0.10 0.00 0.00 0.00 0.00 46.02 46.75 1xds n GLY 82 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xds h GLU 83 N 0.00 0.00 0.00 1.61 5.08 -2.00 -3.41 114.58 115.86 1xds h GLU 83 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xds h GLU 83 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xds h GLU 83 CO 0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 1xds n ARG 87 N -2.25 1.57 -0.38 2.33 1.74 -1.26 -5.21 116.66 113.20 1xds n ARG 87 Ca -0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 1xds n ARG 87 Cb 0.15 0.00 0.28 0.00 -1.02 0.00 0.00 32.46 31.87 1xds n ARG 87 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xds s PRO 88 N 0.01 -2.19 0.02 5.56 0.04 -1.26 -3.98 135.00 133.20 1xds s PRO 88 Ca 0.00 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.23 1xds s PRO 88 Cb 0.00 -1.43 -0.06 0.00 0.04 0.00 0.00 34.50 33.05 1xds s PRO 88 CO 0.00 -4.48 1.34 -1.17 0.04 0.00 0.00 177.00 172.73 1xds s LEU 89 N -7.66 4.33 0.29 -3.56 2.96 -1.25 -3.83 118.68 109.95 1xds s LEU 89 Ca 0.69 2.08 -0.11 0.00 -0.22 0.00 0.00 54.13 56.56 1xds s LEU 89 Cb -0.20 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.93 1xds s LEU 89 CO 0.62 -0.65 0.53 0.00 -1.32 0.00 0.00 176.35 175.53 1xds s ARG 90 N 1.96 1.72 0.56 1.98 1.70 -0.79 -4.85 118.95 121.24 1xds s ARG 90 Ca 0.62 -1.37 -0.18 0.00 -0.47 0.00 0.00 55.73 54.33 1xds s ARG 90 Cb -0.31 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.51 1xds s ARG 90 CO 0.27 -0.73 1.09 -2.14 -1.08 0.00 0.00 175.30 172.70 1xds s PRO 91 N -3.61 3.36 0.94 3.89 0.02 -1.26 -1.59 135.00 136.75 1xds s PRO 91 Ca 0.23 1.42 -0.14 0.00 0.02 0.00 0.00 61.00 62.52 1xds s PRO 91 Cb -0.01 -2.02 0.20 0.00 0.02 0.00 0.00 34.50 32.68 1xds s PRO 91 CO 0.12 -0.81 1.29 0.95 -0.33 0.00 0.00 177.00 178.22 1xds s THR 92 N -2.07 2.01 0.14 0.99 -4.23 -0.54 -4.69 115.64 107.24 1xds s THR 92 Ca 0.68 -0.07 -0.19 0.00 -1.18 0.00 0.00 61.69 60.93 1xds s THR 92 Cb -0.20 -2.94 -0.00 0.00 1.34 0.00 0.00 72.50 70.70 1xds s THR 92 CO 0.30 0.00 1.71 -0.09 -0.54 0.00 0.00 174.62 176.00 1xds h ARG 93 N -1.55 0.06 -0.67 3.99 2.43 -1.89 -2.32 114.38 114.43 1xds h ARG 93 Ca -0.43 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.72 1xds h ARG 93 Cb 1.23 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 1xds h ARG 93 CO 0.36 0.04 0.35 1.25 -1.51 0.00 0.00 179.97 180.46 1xds h LEU 94 N 0.06 0.85 -5.28 3.80 7.12 -1.90 -3.37 115.31 116.60 1xds h LEU 94 Ca 0.12 -0.11 -0.04 0.00 0.13 0.00 0.00 57.88 57.99 1xds h LEU 94 Cb 0.17 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.08 1xds h LEU 94 CO -0.22 0.72 0.74 0.61 -0.13 0.00 0.00 178.44 180.16 1xds n GLY 95 N -1.02 1.47 3.85 3.75 0.00 -0.88 -4.48 105.19 107.88 1xds n GLY 95 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1xds n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xds n LEU 97 N 3.67 0.00 -0.20 0.99 4.77 -1.26 -4.09 117.00 120.87 1xds n LEU 97 Ca 0.06 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 1xds n LEU 97 Cb 0.06 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.52 1xds n LEU 97 CO 0.35 0.00 0.63 0.18 -1.33 0.00 0.00 177.39 177.22 1xds n LEU 98 N 0.00 0.93 -4.75 2.23 4.77 -1.26 -3.79 117.00 115.13 1xds n LEU 98 Ca 0.00 -0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.35 1xds n LEU 98 Cb 0.00 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1xds n LEU 98 CO 0.00 0.18 1.21 0.00 -1.33 0.00 0.00 177.39 177.45 1xds s ALA 99 N -2.58 3.71 0.40 -1.18 0.00 -1.26 -4.57 121.76 116.28 1xds s ALA 99 Ca 0.22 1.52 0.14 0.00 0.00 0.00 0.00 51.96 53.84 1xds s ALA 99 Cb 0.19 -3.63 0.84 0.00 0.00 0.00 0.00 23.12 20.52 1xds s ALA 99 CO 0.55 -0.94 1.89 0.22 0.00 0.00 0.00 175.76 177.48 1xds h ASP 100 N 4.77 0.00 0.35 0.00 3.58 -1.97 -2.00 116.42 121.15 1xds h ASP 100 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1xds h ASP 100 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1xds h ASP 100 CO 0.78 0.30 -0.06 0.61 -2.88 0.00 0.00 179.24 177.99 1xds n GLY 101 N -0.67 -1.01 3.69 -0.78 0.00 -1.26 -4.86 105.19 100.30 1xds n GLY 101 Ca -0.02 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 1xds n GLY 101 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xds n HIS 102 N -1.01 2.41 -0.11 1.61 -0.00 -0.75 -4.91 115.22 112.46 1xds n HIS 102 Ca 0.16 0.26 0.12 0.00 -0.00 0.00 0.00 57.72 58.26 1xds n HIS 102 Cb 0.25 -2.56 0.49 0.00 -0.00 0.00 0.00 29.99 28.17 1xds n HIS 102 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1xds h PRO 103 N 5.52 0.43 0.00 1.57 0.11 -1.91 -1.14 132.00 136.59 1xds h PRO 103 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xds h PRO 103 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xds h PRO 103 CO 0.86 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.93 1xds h ALA 104 N 1.68 1.00 -2.60 -0.75 0.00 -1.91 -3.47 119.26 113.21 1xds h ALA 104 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.79 1xds h ALA 104 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1xds h ALA 104 CO -0.09 0.00 -0.50 1.04 0.00 0.00 0.00 179.25 179.70 1xds n GLN 105 N -2.75 -1.65 0.24 0.00 1.13 -0.43 -4.86 117.38 109.07 1xds n GLN 105 Ca -0.00 1.05 0.09 0.00 -1.94 0.00 0.00 57.00 56.20 1xds n GLN 105 Cb 0.17 -5.66 0.62 0.00 0.11 0.00 0.00 30.24 25.48 1xds n GLN 105 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1xds h GLN 106 N 0.00 0.00 -0.34 -1.09 1.08 -1.83 -1.87 115.11 111.06 1xds h GLN 106 Ca -0.48 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.73 1xds h GLN 106 Cb 1.36 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.77 1xds h GLN 106 CO 0.59 0.16 0.20 -0.09 -0.95 0.00 0.00 178.83 178.74 1xds h ARG 107 N 0.00 0.40 -0.40 1.46 2.43 -1.81 -1.54 114.38 114.92 1xds h ARG 107 Ca -0.00 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1xds h ARG 107 Cb 0.34 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1xds h ARG 107 CO 0.02 0.27 -0.11 0.00 -1.51 0.00 0.00 179.97 178.64 1xds h ALA 108 N 1.15 1.06 -0.49 2.80 0.00 -1.71 -2.03 119.26 120.03 1xds h ALA 108 Ca 0.13 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1xds h ALA 108 Cb -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xds h ALA 108 CO -0.06 0.58 -0.04 -1.49 0.00 0.00 0.00 179.25 178.23 1xds h TRP 109 N 0.65 0.92 0.00 0.00 4.06 -1.06 -2.90 115.95 117.62 1xds h TRP 109 Ca 0.11 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 60.91 1xds h TRP 109 Cb 0.56 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 1xds h TRP 109 CO 0.03 0.86 -0.25 1.28 -3.56 0.00 0.00 178.44 176.80 1xds n LEU 110 N -4.19 0.67 -4.70 -4.49 4.77 -0.61 -3.27 117.00 105.19 1xds n LEU 110 Ca 0.02 0.41 -0.42 0.00 -0.03 0.00 0.00 56.01 56.00 1xds n LEU 110 Cb 0.34 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1xds n LEU 110 CO 0.43 -0.10 1.43 -0.62 -1.33 0.00 0.00 177.39 177.19 1xds s ASP 111 N -4.18 6.43 0.38 -1.43 3.68 -0.77 -4.59 116.67 116.18 1xds s ASP 111 Ca 0.09 2.77 0.27 0.00 2.13 0.00 0.00 52.55 57.82 1xds s ASP 111 Cb 0.14 -2.58 0.95 0.00 -1.45 0.00 0.00 42.92 39.98 1xds s ASP 111 CO 0.64 -0.98 1.79 -0.07 0.13 0.00 0.00 175.17 176.68 1xds h LEU 112 N 7.99 0.00 -0.41 -1.34 3.38 -1.91 -1.68 115.31 121.35 1xds h LEU 112 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1xds h LEU 112 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1xds h LEU 112 CO 0.95 0.00 -0.03 0.59 0.09 0.00 0.00 178.44 180.04 1xds n ASN 113 N -2.68 0.67 -4.79 -0.43 3.02 -1.26 -4.31 115.26 105.48 1xds n ASN 113 Ca 0.03 -1.08 -0.25 0.00 -0.03 0.00 0.00 54.58 53.25 1xds n ASN 113 Cb 0.35 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.45 1xds n ASN 113 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xds s GLY 114 N -2.12 1.63 0.32 7.41 0.00 -0.63 -4.78 107.32 109.15 1xds s GLY 114 Ca 0.39 -1.29 0.04 0.00 0.00 0.00 0.00 44.72 43.86 1xds s GLY 114 CO 0.38 -1.31 1.83 0.00 0.00 0.00 0.00 173.10 174.00 1xds h ALA 115 N 2.16 1.30 0.02 3.20 0.00 -1.82 -2.20 119.26 121.92 1xds h ALA 115 Ca -0.48 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 1xds h ALA 115 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xds h ALA 115 CO 0.62 0.47 -0.01 0.28 0.00 0.00 0.00 179.25 180.61 1xds h VAL 116 N 0.45 1.45 -0.97 0.00 2.07 -1.86 -1.11 116.25 116.30 1xds h VAL 116 Ca 0.09 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 65.85 1xds h VAL 116 Cb 0.44 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.75 1xds h VAL 116 CO 0.02 0.43 0.62 -1.28 0.02 0.00 0.00 177.57 177.39 1xds h SER 117 N -0.84 1.12 -0.33 0.57 0.87 -1.57 0.21 113.55 113.58 1xds h SER 117 Ca -0.00 -0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.59 1xds h SER 117 Cb 0.73 -0.28 -0.08 0.00 -0.44 0.00 0.00 62.40 62.33 1xds h SER 117 CO 0.01 0.82 -0.23 -0.74 -0.53 0.00 0.00 176.83 176.17 1xds h HIS 118 N 1.31 -0.59 -0.04 2.24 2.76 -1.38 -1.82 115.15 117.63 1xds h HIS 118 Ca 0.35 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.44 1xds h HIS 118 Cb -0.13 0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1xds h HIS 118 CO 0.00 -0.30 -0.54 0.00 -1.30 0.00 0.00 177.93 175.79 1xds h ALA 119 N 0.97 1.03 -0.93 5.26 0.00 -0.48 -2.47 119.26 122.63 1xds h ALA 119 Ca 0.17 -0.49 0.22 0.00 0.00 0.00 0.00 54.91 54.80 1xds h ALA 119 Cb 0.45 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1xds h ALA 119 CO -0.44 0.68 0.61 -0.44 0.00 0.00 0.00 179.25 179.66 1xds h ASP 120 N 0.09 0.40 0.05 0.00 3.32 0.25 -0.99 116.42 119.53 1xds h ASP 120 Ca -0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1xds h ASP 120 Cb 0.98 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1xds h ASP 120 CO 0.08 0.15 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.64 1xds h LEU 121 N 0.39 0.00 0.00 1.55 3.38 -1.15 -1.64 115.31 117.84 1xds h LEU 121 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1xds h LEU 121 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1xds h LEU 121 CO -0.19 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.38 1xds n ALA 122 N -2.47 1.27 0.36 1.53 0.00 -0.38 -2.28 120.51 118.54 1xds n ALA 122 Ca -0.03 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1xds n ALA 122 Cb 0.12 -1.05 0.51 0.00 0.00 0.00 0.00 19.45 19.03 1xds n ALA 122 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xds n PHE 123 N -1.37 0.83 0.26 0.00 3.01 -0.62 -2.06 117.46 117.50 1xds n PHE 123 Ca 0.01 0.34 0.10 0.00 1.01 0.00 0.00 57.45 58.92 1xds n PHE 123 Cb 0.03 -1.05 0.69 0.00 -0.01 0.00 0.00 39.48 39.14 1xds n PHE 123 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1xds h THR 124 N 0.00 0.78 -0.29 4.37 1.35 -1.70 -1.73 112.91 115.69 1xds h THR 124 Ca 0.00 -0.40 -0.07 0.00 -0.55 0.00 0.00 66.41 65.39 1xds h THR 124 Cb 0.31 1.24 -0.04 0.00 -1.73 0.00 0.00 68.15 67.93 1xds h THR 124 CO 0.00 0.10 0.09 0.61 -0.25 0.00 0.00 175.52 176.07 1xds n GLY 125 N -1.01 2.40 0.22 5.82 0.00 -0.87 -4.54 105.19 107.20 1xds n GLY 125 Ca -0.02 -0.40 0.03 0.00 0.00 0.00 0.00 46.02 45.63 1xds n GLY 125 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xds h LEU 126 N 1.43 0.11 -0.55 0.99 5.85 -1.46 -2.80 115.31 118.87 1xds h LEU 126 Ca 0.08 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1xds h LEU 126 Cb 1.32 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 1xds h LEU 126 CO 0.28 0.35 0.28 0.25 -0.34 0.00 0.00 178.44 179.25 1xds h LEU 127 N 0.10 0.39 -0.07 2.25 5.85 -1.85 -0.71 115.31 121.29 1xds h LEU 127 Ca 0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1xds h LEU 127 Cb 0.47 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1xds h LEU 127 CO 0.03 0.26 0.00 0.47 -0.34 0.00 0.00 178.44 178.87 1xds n ASP 128 N -4.87 0.55 -0.04 1.25 8.00 -1.08 -2.15 116.55 118.20 1xds n ASP 128 Ca 0.06 0.56 -0.14 0.00 0.71 0.00 0.00 54.79 55.98 1xds n ASP 128 Cb 0.15 -0.70 -0.08 0.00 -0.02 0.00 0.00 41.12 40.47 1xds n ASP 128 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1xds h VAL 129 N 0.00 1.39 0.00 2.53 2.07 -1.09 -2.78 116.25 118.38 1xds h VAL 129 Ca 0.00 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1xds h VAL 129 Cb 0.62 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1xds h VAL 129 CO 0.00 0.44 0.00 0.58 0.02 0.00 0.00 177.57 178.61 1xds h VAL 130 N -0.10 0.00 0.12 2.57 2.07 -0.85 0.31 116.25 120.37 1xds h VAL 130 Ca 0.00 -0.42 -0.36 0.00 0.82 0.00 0.00 66.70 66.74 1xds h VAL 130 Cb 0.82 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1xds h VAL 130 CO 0.05 0.00 -1.95 -0.09 0.02 0.00 0.00 177.57 175.60 1xds h ARG 131 N 0.00 0.25 -0.00 1.57 2.43 -1.49 -3.41 114.38 113.73 1xds h ARG 131 Ca 0.00 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1xds h ARG 131 Cb 0.43 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1xds h ARG 131 CO 0.00 1.16 -0.20 0.25 -1.51 0.00 0.00 179.97 179.68 1xds n THR 132 N -3.45 0.00 -0.93 0.20 -2.24 -1.05 -5.00 114.28 101.81 1xds n THR 132 Ca -0.30 -0.40 -0.04 0.00 -2.27 0.00 0.00 64.05 61.03 1xds n THR 132 Cb 1.05 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 70.28 1xds n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xds n GLY 133 N 0.97 0.42 3.90 3.38 0.00 0.09 -4.99 105.19 108.96 1xds n GLY 133 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1xds n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xds s ARG 134 N -1.97 3.66 0.67 1.61 0.52 -1.26 -4.90 118.95 117.29 1xds s ARG 134 Ca 0.00 0.08 -0.17 0.00 -0.52 0.00 0.00 55.73 55.12 1xds s ARG 134 Cb 0.00 -2.62 0.01 0.00 0.52 0.00 0.00 34.95 32.86 1xds s ARG 134 CO 0.00 0.20 1.23 -1.25 0.02 0.00 0.00 175.30 175.50 1xds s PRO 135 N -3.50 2.46 0.01 3.54 0.04 -1.25 -4.36 135.00 131.94 1xds s PRO 135 Ca 0.45 1.84 0.22 0.00 0.04 0.00 0.00 61.00 63.55 1xds s PRO 135 Cb -0.11 -1.86 -0.16 0.00 0.04 0.00 0.00 34.50 32.41 1xds s PRO 135 CO 0.29 -1.61 0.81 0.00 0.04 0.00 0.00 177.00 176.53 1xds n ALA 136 N -2.24 3.60 -0.35 8.56 0.00 -0.24 -4.58 120.51 125.27 1xds n ALA 136 Ca 0.14 -0.50 0.11 0.00 0.00 0.00 0.00 53.44 53.20 1xds n ALA 136 Cb 0.50 -0.84 0.31 0.00 0.00 0.00 0.00 19.45 19.41 1xds n ALA 136 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1xds h TYR 137 N 0.00 1.06 -0.20 0.00 3.20 -1.79 -2.13 116.97 117.11 1xds h TYR 137 Ca 0.00 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 1xds h TYR 137 Cb 0.75 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1xds h TYR 137 CO 0.00 0.31 -0.38 0.00 -1.64 0.00 0.00 178.16 176.44 1xds h ALA 138 N 1.61 0.32 -0.21 1.82 0.00 -1.81 -1.62 119.26 119.37 1xds h ALA 138 Ca 0.54 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1xds h ALA 138 Cb 0.77 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xds h ALA 138 CO -0.33 0.40 0.19 0.78 0.00 0.00 0.00 179.25 180.30 1xds h GLY 139 N 0.29 0.00 0.11 0.00 0.00 -1.68 0.44 103.07 102.23 1xds h GLY 139 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.05 1xds h GLY 139 CO 0.09 0.00 -1.58 -2.13 0.00 0.00 0.00 176.54 172.92 1xds n ARG 140 N -4.06 0.60 0.00 4.80 0.63 -1.14 -4.70 116.66 112.80 1xds n ARG 140 Ca 0.02 0.48 0.06 0.00 -0.92 0.00 0.00 57.85 57.49 1xds n ARG 140 Cb 0.33 -1.70 -0.02 0.00 0.45 0.00 0.00 32.46 31.52 1xds n ARG 140 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1xds n TYR 141 N -4.22 0.00 0.00 -0.14 4.02 -0.62 -5.04 117.16 111.17 1xds n TYR 141 Ca -0.35 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.54 1xds n TYR 141 Cb 0.78 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.10 1xds n TYR 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xds n GLY 142 N 1.09 2.92 3.58 2.72 0.00 0.15 -5.00 105.19 110.66 1xds n GLY 142 Ca 0.05 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 1xds n GLY 142 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xds s ARG 143 N 0.00 2.08 0.76 1.61 1.70 -1.26 -4.77 118.95 119.07 1xds s ARG 143 Ca 0.00 -1.50 -0.11 0.00 -0.47 0.00 0.00 55.73 53.65 1xds s ARG 143 Cb 0.00 -2.05 0.05 0.00 -0.57 0.00 0.00 34.95 32.38 1xds s ARG 143 CO 0.00 0.36 1.10 -1.25 -1.08 0.00 0.00 175.30 174.43 1xds s PRO 144 N -3.51 2.43 0.06 3.89 0.04 -1.26 -4.21 135.00 132.44 1xds s PRO 144 Ca 0.30 0.58 -0.12 0.00 0.04 0.00 0.00 61.00 61.80 1xds s PRO 144 Cb -0.06 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1xds s PRO 144 CO 0.18 -1.37 1.21 0.34 0.04 0.00 0.00 177.00 177.40 1xds n PHE 145 N -3.25 -0.17 0.02 0.56 7.35 -1.26 -0.85 117.46 119.86 1xds n PHE 145 Ca 0.07 0.49 -0.03 0.00 -0.76 0.00 0.00 57.45 57.23 1xds n PHE 145 Cb 0.56 -0.53 0.23 0.00 0.35 0.00 0.00 39.48 40.09 1xds n PHE 145 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1xds h TRP 146 N 0.00 0.53 -0.41 -5.13 4.06 -1.93 -1.48 115.95 111.59 1xds h TRP 146 Ca 0.06 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 1xds h TRP 146 Cb 0.16 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.17 1xds h TRP 146 CO -0.97 0.65 0.23 0.93 -3.56 0.00 0.00 178.44 175.72 1xds h GLU 147 N 0.43 0.57 -0.03 0.49 5.08 -1.69 -1.36 114.58 118.07 1xds h GLU 147 Ca 0.07 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1xds h GLU 147 Cb 0.60 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1xds h GLU 147 CO 0.04 0.45 -0.10 0.22 -1.00 0.00 0.00 179.01 178.62 1xds h ASP 148 N 0.53 -0.29 -0.77 1.42 3.58 -0.00 -1.62 116.42 119.26 1xds h ASP 148 Ca 0.14 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.65 1xds h ASP 148 Cb 0.04 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 1xds h ASP 148 CO -0.02 -0.14 0.51 -0.07 -2.88 0.00 0.00 179.24 176.64 1xds h LEU 149 N -0.16 0.89 -0.65 2.28 3.38 -1.32 0.12 115.31 119.85 1xds h LEU 149 Ca 0.05 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1xds h LEU 149 Cb 0.22 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1xds h LEU 149 CO -0.12 0.65 0.36 -1.28 0.09 0.00 0.00 178.44 178.14 1xds h SER 150 N 1.05 0.54 1.13 -0.43 0.87 -0.77 -3.15 113.55 112.79 1xds h SER 150 Ca 0.28 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.83 1xds h SER 150 Cb -0.12 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 1xds h SER 150 CO -0.06 0.35 -0.90 0.00 -0.53 0.00 0.00 176.83 175.69 1xds h ALA 151 N 1.34 0.62 -3.57 6.23 0.00 -0.44 -3.43 119.26 120.00 1xds h ALA 151 Ca 0.29 -0.20 -0.67 0.00 0.00 0.00 0.00 54.91 54.32 1xds h ALA 151 Cb 0.17 0.05 -0.38 0.00 0.00 0.00 0.00 17.79 17.63 1xds h ALA 151 CO -0.17 0.23 -0.69 0.34 0.00 0.00 0.00 179.25 178.95 1xds s ASP 152 N -5.65 4.84 0.26 0.00 2.15 0.33 -5.00 116.67 113.60 1xds s ASP 152 Ca 0.00 -1.94 0.08 0.00 0.43 0.00 0.00 52.55 51.13 1xds s ASP 152 Cb 0.09 -1.67 0.31 0.00 -0.30 0.00 0.00 42.92 41.34 1xds s ASP 152 CO 0.77 -0.38 1.59 -0.37 -0.17 0.00 0.00 175.17 176.61 1xds h VAL 153 N 6.56 1.43 0.00 1.11 -1.51 -1.84 -2.63 116.25 119.37 1xds h VAL 153 Ca -0.10 -2.09 -0.09 0.00 -1.23 0.00 0.00 66.70 63.20 1xds h VAL 153 Cb 1.03 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 32.29 1xds h VAL 153 CO 0.55 0.60 -0.41 0.00 -1.23 0.00 0.00 177.57 177.08 1xds h ALA 154 N 1.31 1.24 0.01 5.19 0.00 -1.94 -0.65 119.26 124.40 1xds h ALA 154 Ca -0.01 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.33 1xds h ALA 154 Cb 1.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1xds h ALA 154 CO 0.09 0.52 -0.90 -0.07 0.00 0.00 0.00 179.25 178.88 1xds h LEU 155 N 0.00 0.11 -0.16 0.00 3.38 -1.80 -3.02 115.31 113.82 1xds h LEU 155 Ca -0.00 -0.10 -0.23 0.00 0.09 0.00 0.00 57.88 57.64 1xds h LEU 155 Cb 0.77 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1xds h LEU 155 CO 0.05 0.95 -0.91 0.00 0.09 0.00 0.00 178.44 178.62 1xds h ALA 156 N 1.04 0.33 -0.77 1.53 0.00 -1.14 -2.41 119.26 117.84 1xds h ALA 156 Ca -0.03 -0.67 0.03 0.00 0.00 0.00 0.00 54.91 54.24 1xds h ALA 156 Cb 1.56 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 1xds h ALA 156 CO 0.13 0.75 0.49 -0.44 0.00 0.00 0.00 179.25 180.18 1xds h ASP 157 N 0.33 0.81 0.98 0.00 5.19 -1.20 -1.82 116.42 120.71 1xds h ASP 157 Ca -0.08 -0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.19 1xds h ASP 157 Cb 1.54 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.86 1xds h ASP 157 CO 0.17 0.56 -0.65 0.77 -3.12 0.00 0.00 179.24 176.97 1xds h SER 158 N 0.95 0.00 -0.09 6.45 4.64 -1.51 -1.69 113.55 122.30 1xds h SER 158 Ca 0.31 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.43 1xds h SER 158 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1xds h SER 158 CO -0.11 0.65 -0.65 0.15 -0.87 0.00 0.00 176.83 176.00 1xds h PHE 159 N 0.00 0.93 -0.42 4.77 3.57 -1.26 -2.02 116.94 122.50 1xds h PHE 159 Ca -0.01 -0.37 -0.12 0.00 3.53 0.00 0.00 57.97 61.01 1xds h PHE 159 Cb 1.31 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1xds h PHE 159 CO 0.00 1.17 -0.21 -0.44 -2.23 0.00 0.00 178.31 176.60 1xds h ASP 160 N 0.52 0.86 -0.01 0.41 3.45 -1.24 -3.05 116.42 117.36 1xds h ASP 160 Ca -0.02 -0.31 -0.12 0.00 0.43 0.00 0.00 57.03 57.01 1xds h ASP 160 Cb 1.25 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.77 1xds h ASP 160 CO 0.13 1.04 -0.38 0.00 -1.57 0.00 0.00 179.24 178.47 1xds h ALA 161 N 1.02 0.92 0.00 3.45 0.00 -1.28 -2.81 119.26 120.56 1xds h ALA 161 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xds h ALA 161 Cb 0.75 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1xds h ALA 161 CO 0.06 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.22 1xds n LEU 162 N -4.04 1.20 -1.60 0.00 4.77 -0.77 -4.88 117.00 111.68 1xds n LEU 162 Ca -0.01 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1xds n LEU 162 Cb 0.49 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1xds n LEU 162 CO 0.44 0.21 -0.38 -1.20 -1.33 0.00 0.00 177.39 175.12 1xds n SER 164 N 0.69 -7.21 -1.21 -1.43 7.64 -1.06 -5.09 113.62 105.95 1xds n SER 164 Ca 0.00 1.07 0.08 0.00 1.01 0.00 0.00 58.87 61.03 1xds n SER 164 Cb 0.21 -4.47 0.30 0.00 -1.01 0.00 0.00 64.21 59.24 1xds n SER 164 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xds s ASP 166 N -1.53 4.07 0.06 0.00 1.01 -1.26 -5.15 116.67 113.86 1xds s ASP 166 Ca 0.46 -0.98 -0.03 0.00 0.71 0.00 0.00 52.55 52.70 1xds s ASP 166 Cb 0.36 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 1xds s ASP 166 CO 0.12 -4.02 0.03 -0.62 0.21 0.00 0.00 175.17 170.89 1xds s ASP 176 N 8.29 0.37 -1.09 0.27 2.15 -1.26 -5.18 116.67 120.21 1xds s ASP 176 Ca 0.79 -0.86 -0.05 0.00 0.43 0.00 0.00 52.55 52.86 1xds s ASP 176 Cb -0.05 0.23 0.30 0.00 -0.30 0.00 0.00 42.92 43.10 1xds s ASP 176 CO 0.14 -0.61 1.41 0.00 -0.17 0.00 0.00 175.17 175.94 1xds n ALA 177 N 0.18 4.98 -2.64 3.66 0.00 -1.26 -4.95 120.51 120.48 1xds n ALA 177 Ca -0.15 -4.77 -0.30 0.00 0.00 0.00 0.00 53.44 48.22 1xds n ALA 177 Cb 0.61 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.61 1xds n ALA 177 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xds s TYR 178 N -2.43 1.95 -0.46 0.00 5.04 -1.26 -5.11 117.35 115.08 1xds s TYR 178 Ca 0.31 -0.87 -0.17 0.00 -2.44 0.00 0.00 57.07 53.90 1xds s TYR 178 Cb 0.02 -1.73 0.05 0.00 0.35 0.00 0.00 41.96 40.65 1xds s TYR 178 CO 0.07 0.10 0.46 0.34 -1.34 0.00 0.00 175.55 175.17 1xds s ASP 179 N -3.95 6.18 0.00 4.32 2.15 -1.26 -4.94 116.67 119.17 1xds s ASP 179 Ca 0.18 -0.96 0.24 0.00 0.43 0.00 0.00 52.55 52.43 1xds s ASP 179 Cb 0.02 -2.22 0.16 0.00 -0.30 0.00 0.00 42.92 40.58 1xds s ASP 179 CO 0.10 -0.67 1.21 0.79 -0.17 0.00 0.00 175.17 176.44 1xds n TRP 180 N 5.58 0.00 -0.06 -5.34 7.02 -1.26 -4.59 117.44 118.79 1xds n TRP 180 Ca -0.09 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.41 1xds n TRP 180 Cb 0.46 -0.01 0.35 0.00 -2.42 0.00 0.00 31.31 29.68 1xds n TRP 180 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1xds h SER 181 N 3.12 0.58 0.86 -0.99 4.64 -2.00 -2.24 113.55 117.52 1xds h SER 181 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1xds h SER 181 Cb 0.81 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1xds h SER 181 CO 0.00 0.47 -0.12 0.00 -0.87 0.00 0.00 176.83 176.31 1xds n ALA 182 N -2.46 2.64 -2.35 5.18 0.00 -1.26 -4.92 120.51 117.34 1xds n ALA 182 Ca 0.04 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.93 1xds n ALA 182 Cb 0.10 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.10 1xds n ALA 182 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xds s VAL 183 N -2.98 4.79 -0.14 0.00 1.01 -0.85 -4.99 120.40 117.24 1xds s VAL 183 Ca 0.14 1.25 0.07 0.00 0.00 0.00 0.00 61.98 63.44 1xds s VAL 183 Cb 0.19 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.51 1xds s VAL 183 CO 0.57 0.50 -0.04 0.54 0.00 0.00 0.00 175.10 176.67 1xds n ARG 184 N 2.12 1.28 -3.67 2.72 1.74 -1.26 -4.70 116.66 114.90 1xds n ARG 184 Ca -0.09 0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 56.90 1xds n ARG 184 Cb 0.51 -1.32 -0.13 0.00 -1.02 0.00 0.00 32.46 30.50 1xds n ARG 184 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1xds s HIS 185 N -2.31 -0.42 -0.16 -1.55 5.04 -1.26 -0.78 115.29 113.84 1xds s HIS 185 Ca -0.13 0.97 -0.03 0.00 -1.54 0.00 0.00 55.06 54.33 1xds s HIS 185 Cb 0.04 -0.03 -0.02 0.00 0.04 0.00 0.00 32.58 32.62 1xds s HIS 185 CO 0.45 -0.35 -0.04 0.08 -2.34 0.00 0.00 174.74 172.54 1xds s VAL 186 N 2.33 3.77 -0.34 0.89 1.01 -0.47 -1.62 120.40 125.96 1xds s VAL 186 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 1xds s VAL 186 Cb -0.12 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.65 1xds s VAL 186 CO -0.09 0.48 0.10 -0.22 0.00 0.00 0.00 175.10 175.38 1xds s LEU 187 N 0.54 4.32 -0.44 3.92 0.20 0.45 -0.74 118.68 126.93 1xds s LEU 187 Ca -0.03 -1.16 -0.19 0.00 0.69 0.00 0.00 54.13 53.44 1xds s LEU 187 Cb -0.14 -1.86 0.03 0.00 -0.43 0.00 0.00 46.19 43.78 1xds s LEU 187 CO 0.03 -0.33 0.53 -0.62 -0.29 0.00 0.00 176.35 175.67 1xds s ASP 188 N 1.41 6.24 -0.33 3.68 -1.08 -0.26 -0.05 116.67 126.28 1xds s ASP 188 Ca -0.02 -0.65 -0.22 0.00 -0.52 0.00 0.00 52.55 51.14 1xds s ASP 188 Cb -0.20 -2.26 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1xds s ASP 188 CO 0.03 -0.70 0.74 -0.69 0.52 0.00 0.00 175.17 175.06 1xds s VAL 189 N 2.41 4.81 -0.87 1.11 1.01 -0.36 -1.74 120.40 126.78 1xds s VAL 189 Ca 0.15 0.97 -0.04 0.00 0.00 0.00 0.00 61.98 63.07 1xds s VAL 189 Cb -0.17 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1xds s VAL 189 CO 0.15 -0.29 0.75 0.61 0.00 0.00 0.00 175.10 176.32 1xds n GLY 190 N 4.39 -0.06 1.01 4.51 0.00 0.82 -4.48 105.19 111.37 1xds n GLY 190 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 1xds n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xds n GLY 191 N -1.37 2.14 7.00 -0.02 0.00 -1.21 -4.81 105.19 106.92 1xds n GLY 191 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1xds n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xds n GLY 192 N 0.16 2.62 0.39 -0.02 0.00 -1.26 -1.78 105.19 105.31 1xds n GLY 192 Ca 0.08 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.83 1xds n GLY 192 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xds n ASN 193 N 0.53 1.15 0.00 1.61 2.04 -1.26 -4.49 115.26 114.84 1xds n ASN 193 Ca 0.00 -1.92 0.00 0.00 -0.44 0.00 0.00 54.58 52.22 1xds n ASN 193 Cb 0.00 -0.13 0.00 0.00 -2.53 0.00 0.00 39.78 37.12 1xds n ASN 193 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1xds n GLY 194 N 0.88 0.81 0.72 4.83 0.00 -0.73 -3.64 105.19 108.06 1xds n GLY 194 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1xds n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xds n GLY 195 N -2.34 0.02 0.51 -0.02 0.00 -1.26 -1.60 105.19 100.51 1xds n GLY 195 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xds n GLY 195 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xds n LEU 197 N 0.72 0.00 -0.14 0.99 7.94 -1.26 -1.49 117.00 123.76 1xds n LEU 197 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 1xds n LEU 197 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1xds n LEU 197 CO 0.00 0.00 0.70 0.00 -1.11 0.00 0.00 177.39 176.98 1xds h ALA 198 N 0.00 0.59 -0.12 1.96 0.00 -1.71 -0.96 119.26 119.02 1xds h ALA 198 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1xds h ALA 198 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xds h ALA 198 CO 0.00 0.51 0.05 0.00 0.00 0.00 0.00 179.25 179.81 1xds h ALA 199 N 0.85 0.14 -0.50 0.00 0.00 -1.53 -1.34 119.26 116.87 1xds h ALA 199 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xds h ALA 199 Cb 0.69 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1xds h ALA 199 CO 0.05 -0.40 0.32 0.82 0.00 0.00 0.00 179.25 180.04 1xds h ILE 200 N 0.12 1.14 -0.57 0.00 2.04 -1.82 -2.46 117.51 115.96 1xds h ILE 200 Ca 0.05 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 1xds h ILE 200 Cb 0.01 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1xds h ILE 200 CO -0.04 0.14 0.03 0.00 0.00 0.00 0.00 178.15 178.28 1xds h ALA 201 N 1.17 0.76 0.00 1.87 0.00 -0.94 -1.30 119.26 120.82 1xds h ALA 201 Ca 0.18 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1xds h ALA 201 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1xds h ALA 201 CO -0.04 0.57 -0.25 -0.07 0.00 0.00 0.00 179.25 179.46 1xds h LEU 202 N 0.88 0.00 0.00 0.00 3.38 -1.11 -2.86 115.31 115.59 1xds h LEU 202 Ca 0.16 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 1xds h LEU 202 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1xds h LEU 202 CO 0.02 0.25 -1.03 -0.09 0.09 0.00 0.00 178.44 177.69 1xds h ARG 203 N 0.00 0.00 -2.98 1.13 2.43 -1.17 -3.40 114.38 110.38 1xds h ARG 203 Ca -0.00 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.55 1xds h ARG 203 Cb 0.49 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.64 1xds h ARG 203 CO 0.03 0.30 -0.70 0.00 -1.51 0.00 0.00 179.97 178.09 1xds s ALA 204 N -3.01 2.82 0.56 2.80 0.00 -0.51 -5.01 121.76 119.42 1xds s ALA 204 Ca -0.00 -3.14 0.31 0.00 0.00 0.00 0.00 51.96 49.12 1xds s ALA 204 Cb 0.08 -1.98 1.81 0.00 0.00 0.00 0.00 23.12 23.03 1xds s ALA 204 CO 0.78 -2.05 2.23 -1.35 0.00 0.00 0.00 175.76 175.37 1xds h PRO 205 N 6.01 0.00 0.00 0.00 0.11 -1.79 -2.49 132.00 133.84 1xds h PRO 205 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1xds h PRO 205 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1xds h PRO 205 CO 0.58 0.02 0.00 -2.39 -0.21 0.00 0.00 178.00 176.01 1xds n HIS 206 N -3.74 0.18 -2.81 0.65 1.44 -1.26 -4.91 115.22 104.77 1xds n HIS 206 Ca -0.03 0.06 -0.31 0.00 -2.01 0.00 0.00 57.72 55.44 1xds n HIS 206 Cb 0.11 -0.60 -0.04 0.00 0.12 0.00 0.00 29.99 29.58 1xds n HIS 206 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1xds s LEU 207 N -3.31 3.82 0.15 2.39 2.96 -0.94 -4.95 118.68 118.80 1xds s LEU 207 Ca 0.08 1.24 0.08 0.00 -0.22 0.00 0.00 54.13 55.32 1xds s LEU 207 Cb 0.12 -4.12 -0.04 0.00 0.50 0.00 0.00 46.19 42.65 1xds s LEU 207 CO 0.37 -0.41 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.28 1xds s ARG 208 N -3.77 2.04 0.02 1.98 3.52 0.04 -4.93 118.95 117.84 1xds s ARG 208 Ca 0.53 -1.19 0.00 0.00 -0.13 0.00 0.00 55.73 54.94 1xds s ARG 208 Cb -0.10 -2.19 -0.02 0.00 -1.56 0.00 0.00 34.95 31.08 1xds s ARG 208 CO 0.29 0.46 -0.03 0.20 -0.81 0.00 0.00 175.30 175.41 1xds s GLY 209 N -2.56 0.22 -0.07 8.12 0.00 0.29 -1.37 107.32 111.95 1xds s GLY 209 Ca 0.23 -0.54 -0.03 0.00 0.00 0.00 0.00 44.72 44.38 1xds s GLY 209 CO 0.14 -0.60 0.15 -1.59 0.00 0.00 0.00 173.10 171.20 1xds s THR 210 N -1.32 -0.05 -0.12 0.90 2.01 0.08 -2.04 115.64 115.10 1xds s THR 210 Ca -0.14 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1xds s THR 210 Cb -0.09 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.15 1xds s THR 210 CO -0.01 0.07 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.64 1xds s LEU 211 N 1.11 2.73 -0.16 4.42 2.96 -0.60 -1.10 118.68 128.04 1xds s LEU 211 Ca -0.09 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1xds s LEU 211 Cb -0.11 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1xds s LEU 211 CO -0.06 0.19 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.38 1xds s VAL 212 N 0.18 3.20 0.18 1.68 1.01 -0.71 -0.67 120.40 125.27 1xds s VAL 212 Ca -0.07 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 1xds s VAL 212 Cb -0.15 -2.38 0.05 0.00 0.00 0.00 0.00 36.38 33.89 1xds s VAL 212 CO 0.05 0.49 0.57 -1.61 0.00 0.00 0.00 175.10 174.60 1xds s GLU 213 N 0.68 1.35 1.27 2.72 0.41 -1.21 -0.13 118.70 123.79 1xds s GLU 213 Ca -0.05 -0.69 -0.16 0.00 -0.41 0.00 0.00 54.97 53.67 1xds s GLU 213 Cb -0.15 0.56 0.32 0.00 -1.78 0.00 0.00 34.13 33.07 1xds s GLU 213 CO 0.02 -0.59 0.94 1.28 -0.49 0.00 0.00 175.26 176.42 1xds n LEU 214 N -0.36 -1.62 -0.29 1.80 4.77 -1.25 -1.89 117.00 118.16 1xds n LEU 214 Ca -0.13 -0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 55.44 1xds n LEU 214 Cb 0.63 -1.18 0.07 0.00 -2.33 0.00 0.00 43.42 40.61 1xds n LEU 214 CO 0.15 -3.67 1.13 0.00 -1.33 0.00 0.00 177.39 173.67 1xds h ALA 215 N -2.96 1.02 0.34 -1.18 0.00 -1.98 -1.63 119.26 112.87 1xds h ALA 215 Ca -0.58 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1xds h ALA 215 Cb 1.34 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1xds h ALA 215 CO 0.44 0.54 -0.16 0.78 0.00 0.00 0.00 179.25 180.84 1xds h GLY 216 N 1.11 -0.48 -0.41 0.00 0.00 -1.99 -2.65 103.07 98.65 1xds h GLY 216 Ca 0.28 0.18 0.30 0.00 0.00 0.00 0.00 47.33 48.09 1xds h GLY 216 CO -0.04 -0.17 0.63 -2.55 0.00 0.00 0.00 176.54 174.40 1xds h PRO 217 N -0.72 0.37 -0.37 4.80 0.11 -1.86 -2.41 132.00 131.91 1xds h PRO 217 Ca -0.05 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.90 1xds h PRO 217 Cb 0.35 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1xds h PRO 217 CO 0.08 0.24 -0.35 0.00 -0.21 0.00 0.00 178.00 177.76 1xds h ALA 218 N 1.74 0.69 -0.12 -0.75 0.00 -1.24 -0.76 119.26 118.82 1xds h ALA 218 Ca 0.69 -0.43 -0.21 0.00 0.00 0.00 0.00 54.91 54.96 1xds h ALA 218 Cb 1.63 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1xds h ALA 218 CO -0.49 0.67 -0.75 1.49 0.00 0.00 0.00 179.25 180.17 1xds h GLU 219 N 0.71 0.72 0.00 0.00 4.57 -1.09 -1.69 114.58 117.80 1xds h GLU 219 Ca 0.07 -0.61 -0.01 0.00 -1.18 0.00 0.00 59.36 57.63 1xds h GLU 219 Cb 0.91 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1xds h GLU 219 CO 0.08 1.22 -0.04 0.00 -1.18 0.00 0.00 179.01 179.09 1xds h ARG 220 N 0.42 0.00 0.00 1.92 3.08 -1.29 -1.32 114.38 117.19 1xds h ARG 220 Ca -0.06 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.74 1xds h ARG 220 Cb 1.39 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.45 1xds h ARG 220 CO 0.15 0.04 -1.00 0.00 -1.07 0.00 0.00 179.97 178.10 1xds h ALA 221 N 1.96 0.25 -0.86 0.04 0.00 -0.94 -2.05 119.26 117.64 1xds h ALA 221 Ca -0.00 -0.71 0.08 0.00 0.00 0.00 0.00 54.91 54.29 1xds h ALA 221 Cb 0.08 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1xds h ALA 221 CO 0.01 0.75 0.52 0.00 0.00 0.00 0.00 179.25 180.53 1xds h ARG 222 N 0.31 0.87 -0.06 0.00 3.08 -0.80 -1.71 114.38 116.08 1xds h ARG 222 Ca -0.11 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1xds h ARG 222 Cb 1.64 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.49 1xds h ARG 222 CO 0.18 0.58 -0.03 0.00 -1.07 0.00 0.00 179.97 179.63 1xds h ARG 223 N 0.90 0.14 -0.52 0.04 3.08 -1.17 -2.06 114.38 114.78 1xds h ARG 223 Ca 0.40 -0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.49 1xds h ARG 223 Cb 0.29 -0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.23 1xds h ARG 223 CO -0.22 0.52 -0.23 -0.09 -1.07 0.00 0.00 179.97 178.89 1xds h ARG 224 N -0.26 -0.10 -0.27 0.04 2.43 -1.20 -0.80 114.38 114.23 1xds h ARG 224 Ca 0.01 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 1xds h ARG 224 Cb 0.49 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1xds h ARG 224 CO 0.01 -0.07 -0.43 0.74 -1.51 0.00 0.00 179.97 178.71 1xds h PHE 225 N -0.11 0.94 -0.69 2.20 0.05 -1.29 -1.47 116.94 116.57 1xds h PHE 225 Ca 0.24 -0.32 -0.00 0.00 3.82 0.00 0.00 57.97 61.70 1xds h PHE 225 Cb 0.49 -0.18 -0.03 0.00 2.00 0.00 0.00 35.95 38.22 1xds h PHE 225 CO -0.52 1.11 0.42 0.00 -0.18 0.00 0.00 178.31 179.14 1xds h ALA 226 N 0.66 0.88 -0.05 2.45 0.00 -1.27 -0.08 119.26 121.86 1xds h ALA 226 Ca 0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1xds h ALA 226 Cb 1.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1xds h ALA 226 CO 0.10 0.36 -0.42 -0.44 0.00 0.00 0.00 179.25 178.84 1xds h ASP 227 N 0.94 0.12 1.56 0.00 3.45 -0.88 -3.17 116.42 118.44 1xds h ASP 227 Ca 0.25 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.66 1xds h ASP 227 Cb -0.03 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 1xds h ASP 227 CO -0.05 0.53 -0.29 0.00 -1.57 0.00 0.00 179.24 177.87 1xds h ALA 228 N 1.48 0.84 -0.04 3.45 0.00 -0.95 -3.47 119.26 120.57 1xds h ALA 228 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xds h ALA 228 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1xds h ALA 228 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1xds n GLY 229 N 1.18 0.98 0.44 0.00 0.00 -0.86 -5.00 105.19 101.93 1xds n GLY 229 Ca 0.03 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.55 1xds n GLY 229 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xds n LEU 230 N -0.02 2.24 0.04 0.99 4.77 -0.10 -4.77 117.00 120.15 1xds n LEU 230 Ca 0.00 -1.50 -0.02 0.00 -0.03 0.00 0.00 56.01 54.47 1xds n LEU 230 Cb 0.31 -0.09 0.25 0.00 -2.33 0.00 0.00 43.42 41.56 1xds n LEU 230 CO 0.00 0.51 0.78 0.00 -1.33 0.00 0.00 177.39 177.35 1xds h ALA 231 N 1.69 1.21 0.00 -1.18 0.00 -1.76 -0.41 119.26 118.81 1xds h ALA 231 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xds h ALA 231 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xds h ALA 231 CO 0.00 0.51 0.00 -0.40 0.00 0.00 0.00 179.25 179.36 1xds n ASP 232 N -4.16 0.58 0.00 0.00 5.75 -1.26 -3.63 116.55 113.83 1xds n ASP 232 Ca -0.00 0.63 0.00 0.00 -0.01 0.00 0.00 54.79 55.40 1xds n ASP 232 Cb 0.37 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 1xds n ASP 232 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1xds n ARG 233 N -2.12 0.36 -3.86 0.11 1.85 -1.05 -5.00 116.66 106.96 1xds n ARG 233 Ca 0.03 -0.54 -0.26 0.00 -1.00 0.00 0.00 57.85 56.08 1xds n ARG 233 Cb 0.25 -0.71 -0.17 0.00 -1.05 0.00 0.00 32.46 30.78 1xds n ARG 233 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1xds s VAL 234 N -0.20 0.81 0.26 8.89 1.01 -0.19 -0.55 120.40 130.44 1xds s VAL 234 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 61.98 61.89 1xds s VAL 234 Cb 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1xds s VAL 234 CO 0.00 0.29 -0.19 0.42 0.00 0.00 0.00 175.10 175.62 1xds s THR 235 N 1.79 2.30 -0.08 3.92 -4.23 -0.87 -4.43 115.64 114.04 1xds s THR 235 Ca 0.04 -2.36 0.03 0.00 -1.18 0.00 0.00 61.69 58.22 1xds s THR 235 Cb -0.13 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 1xds s THR 235 CO -0.07 -0.44 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.72 1xds s VAL 236 N -2.62 2.86 -0.24 2.29 1.01 -1.26 -1.56 120.40 120.88 1xds s VAL 236 Ca 0.28 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1xds s VAL 236 Cb -0.04 -2.14 0.06 0.00 0.00 0.00 0.00 36.38 34.26 1xds s VAL 236 CO 0.13 0.56 -0.06 0.00 0.00 0.00 0.00 175.10 175.74 1xds s ALA 237 N -0.20 2.02 0.33 5.51 0.00 0.15 -4.95 121.76 124.63 1xds s ALA 237 Ca -0.00 -1.40 -0.29 0.00 0.00 0.00 0.00 51.96 50.27 1xds s ALA 237 Cb -0.13 -1.45 -0.11 0.00 0.00 0.00 0.00 23.12 21.43 1xds s ALA 237 CO 0.03 -1.20 1.43 -2.00 0.00 0.00 0.00 175.76 174.02 1xds s GLU 238 N 1.37 4.22 0.00 0.00 2.12 -1.26 -3.36 118.70 121.78 1xds s GLU 238 Ca -0.06 2.41 0.00 0.00 0.36 0.00 0.00 54.97 57.68 1xds s GLU 238 Cb -0.19 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1xds s GLU 238 CO -0.06 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 1xds n GLY 239 N 0.99 -0.98 2.98 -1.50 0.00 -0.79 -4.90 105.19 100.97 1xds n GLY 239 Ca 0.02 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1xds n GLY 239 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xds s ASP 240 N 0.00 2.55 0.00 1.61 -1.08 -1.26 -3.78 116.67 114.71 1xds s ASP 240 Ca 0.00 -0.45 0.02 0.00 -0.52 0.00 0.00 52.55 51.61 1xds s ASP 240 Cb 0.00 -1.07 0.13 0.00 -1.46 0.00 0.00 42.92 40.53 1xds s ASP 240 CO 0.00 -0.08 0.85 2.22 0.52 0.00 0.00 175.17 178.67 1xds n PHE 241 N 4.83 0.00 0.37 -5.34 1.16 -1.26 -1.91 117.46 115.31 1xds n PHE 241 Ca -0.15 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.54 1xds n PHE 241 Cb 0.50 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.40 1xds n PHE 241 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 1xds n PHE 242 N -0.55 0.53 -3.89 2.97 3.01 -1.26 -4.49 117.46 113.78 1xds n PHE 242 Ca 0.02 0.15 -0.21 0.00 1.01 0.00 0.00 57.45 58.42 1xds n PHE 242 Cb 0.01 -0.66 -0.02 0.00 -0.01 0.00 0.00 39.48 38.80 1xds n PHE 242 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1xds s LYS 243 N -3.27 3.45 0.43 -1.08 1.02 -0.80 -5.00 119.74 114.48 1xds s LYS 243 Ca 0.02 -0.70 -0.26 0.00 0.02 0.00 0.00 55.97 55.05 1xds s LYS 243 Cb 0.13 -2.86 -0.09 0.00 -0.52 0.00 0.00 37.83 34.49 1xds s LYS 243 CO 0.79 0.40 1.39 -2.14 -0.92 0.00 0.00 175.35 174.86 1xds s PRO 244 N -4.01 3.81 0.34 -1.68 0.02 -1.26 -4.86 135.00 127.36 1xds s PRO 244 Ca 0.35 2.34 -0.26 0.00 0.02 0.00 0.00 61.00 63.44 1xds s PRO 244 Cb -0.09 -2.71 -0.09 0.00 0.02 0.00 0.00 34.50 31.62 1xds s PRO 244 CO 0.30 -0.69 1.04 -0.51 -0.33 0.00 0.00 177.00 176.81 1xds s LEU 245 N -2.58 4.33 0.08 -5.54 1.43 -1.26 -4.95 118.68 110.19 1xds s LEU 245 Ca 0.59 2.07 0.28 0.00 -1.03 0.00 0.00 54.13 56.04 1xds s LEU 245 Cb -0.42 -3.95 1.06 0.00 0.03 0.00 0.00 46.19 42.91 1xds s LEU 245 CO 0.54 -0.28 1.86 -0.81 0.23 0.00 0.00 176.35 177.89 1xds n PRO 246 N 0.51 0.10 -4.18 1.29 -0.04 -1.26 -4.82 135.00 126.61 1xds n PRO 246 Ca 0.02 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 1xds n PRO 246 Cb 0.48 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 1xds n PRO 246 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xds s VAL 247 N -3.04 0.15 0.06 0.52 -7.23 -1.26 -5.16 120.40 104.43 1xds s VAL 247 Ca 0.12 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1xds s VAL 247 Cb 0.16 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1xds s VAL 247 CO 0.55 -0.34 0.06 0.42 -0.31 0.00 0.00 175.10 175.48 1xds s THR 248 N -4.03 4.48 0.05 5.32 -4.23 -1.26 -4.75 115.64 111.22 1xds s THR 248 Ca 0.28 -0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 60.06 1xds s THR 248 Cb 0.07 -3.12 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 1xds s THR 248 CO 0.05 0.19 0.01 0.00 -0.54 0.00 0.00 174.62 174.33 1xds s ALA 249 N -1.32 0.31 -0.53 3.99 0.00 -0.44 -4.95 121.76 118.83 1xds s ALA 249 Ca 0.27 -1.01 0.24 0.00 0.00 0.00 0.00 51.96 51.46 1xds s ALA 249 Cb -0.12 0.29 0.36 0.00 0.00 0.00 0.00 23.12 23.65 1xds s ALA 249 CO 0.19 -0.37 1.41 0.38 0.00 0.00 0.00 175.76 177.37 1xds h ASP 250 N 3.27 0.00 -3.73 0.00 2.03 -1.75 -2.35 116.42 113.89 1xds h ASP 250 Ca -0.34 -0.08 -0.51 0.00 -0.73 0.00 0.00 57.03 55.37 1xds h ASP 250 Cb 1.16 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.34 1xds h ASP 250 CO 0.61 0.04 -0.82 -0.69 -1.03 0.00 0.00 179.24 177.35 1xds s VAL 251 N -3.21 1.16 -0.06 4.15 1.01 -0.64 -1.76 120.40 121.05 1xds s VAL 251 Ca 0.06 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1xds s VAL 251 Cb 0.11 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1xds s VAL 251 CO 0.70 0.35 -0.19 -0.69 0.00 0.00 0.00 175.10 175.27 1xds s VAL 252 N 0.27 2.62 -0.08 2.92 1.01 -0.88 -0.41 120.40 125.84 1xds s VAL 252 Ca -0.07 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1xds s VAL 252 Cb -0.12 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1xds s VAL 252 CO 0.02 0.57 -0.21 -0.22 0.00 0.00 0.00 175.10 175.27 1xds s LEU 253 N -0.33 2.32 -0.38 3.92 2.96 0.92 -0.61 118.68 127.48 1xds s LEU 253 Ca 0.02 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1xds s LEU 253 Cb -0.13 -1.46 0.11 0.00 0.50 0.00 0.00 46.19 45.21 1xds s LEU 253 CO 0.02 0.22 0.12 -0.76 -1.32 0.00 0.00 176.35 174.63 1xds s LEU 254 N 0.00 4.05 -0.38 -0.68 1.43 0.10 -1.22 118.68 121.98 1xds s LEU 254 Ca -0.07 -2.30 -0.09 0.00 -1.03 0.00 0.00 54.13 50.64 1xds s LEU 254 Cb -0.15 -1.45 0.05 0.00 0.03 0.00 0.00 46.19 44.68 1xds s LEU 254 CO 0.05 -0.34 0.20 -0.55 0.23 0.00 0.00 176.35 175.94 1xds s SER 255 N 0.71 5.56 -1.41 2.29 0.15 -1.26 -1.04 113.70 118.70 1xds s SER 255 Ca 0.13 -1.27 -0.06 0.00 0.70 0.00 0.00 55.95 55.45 1xds s SER 255 Cb -0.21 -1.96 0.04 0.00 -1.71 0.00 0.00 66.02 62.18 1xds s SER 255 CO -0.08 -0.44 0.80 0.49 1.20 0.00 0.00 173.24 175.21 1xds n PHE 256 N 4.90 -2.05 -0.12 3.44 3.01 0.87 -4.91 117.46 122.60 1xds n PHE 256 Ca -0.11 0.86 -0.24 0.00 1.01 0.00 0.00 57.45 58.97 1xds n PHE 256 Cb 0.44 -4.18 -0.08 0.00 -0.01 0.00 0.00 39.48 35.65 1xds n PHE 256 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1xds n VAL 257 N -4.45 1.26 -0.11 -4.37 0.31 -1.26 -4.78 118.33 104.92 1xds n VAL 257 Ca -0.16 -0.33 0.02 0.00 -0.01 0.00 0.00 64.34 63.86 1xds n VAL 257 Cb 0.62 -1.79 0.32 0.00 -0.91 0.00 0.00 33.84 32.08 1xds n VAL 257 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1xds h LEU 258 N -0.78 0.68 -1.07 7.52 3.38 -1.91 -1.90 115.31 121.23 1xds h LEU 258 Ca -0.58 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1xds h LEU 258 Cb 1.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1xds h LEU 258 CO -0.34 0.52 0.00 0.00 0.09 0.00 0.00 178.44 178.71 1xds n LEU 259 N -4.43 0.61 0.04 1.67 -0.00 -1.26 -1.64 117.00 111.99 1xds n LEU 259 Ca 0.06 0.71 0.13 0.00 -0.00 0.00 0.00 56.01 56.91 1xds n LEU 259 Cb 0.06 -0.70 0.53 0.00 -0.00 0.00 0.00 43.42 43.31 1xds n LEU 259 CO 0.36 -0.76 0.92 0.59 -0.00 0.00 0.00 177.39 178.50 1xds n ASN 260 N -2.25 0.26 -4.38 1.45 5.03 -0.72 -1.55 115.26 113.12 1xds n ASN 260 Ca 0.00 0.53 -0.23 0.00 0.87 0.00 0.00 54.58 55.75 1xds n ASN 260 Cb 0.13 -0.60 -0.11 0.00 -1.02 0.00 0.00 39.78 38.18 1xds n ASN 260 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1xds s TRP 261 N -3.04 2.00 0.86 3.10 0.52 -0.65 -3.74 118.94 117.98 1xds s TRP 261 Ca 0.12 -0.43 -0.11 0.00 0.02 0.00 0.00 56.10 55.70 1xds s TRP 261 Cb 0.16 -0.96 0.10 0.00 -1.15 0.00 0.00 33.47 31.62 1xds s TRP 261 CO 0.53 0.44 1.09 -1.54 0.02 0.00 0.00 176.95 177.49 1xds s SER 262 N -2.88 3.85 0.25 2.95 1.04 -1.22 -3.39 113.70 114.29 1xds s SER 262 Ca 0.20 1.51 -0.06 0.00 0.48 0.00 0.00 55.95 58.08 1xds s SER 262 Cb -0.06 -2.21 0.45 0.00 0.10 0.00 0.00 66.02 64.31 1xds s SER 262 CO 0.09 -2.41 1.63 0.44 0.98 0.00 0.00 173.24 173.98 1xds h ASP 263 N -1.39 -0.33 -0.18 7.02 3.32 -1.94 -0.63 116.42 122.29 1xds h ASP 263 Ca -0.48 0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 1xds h ASP 263 Cb 1.27 0.34 -0.01 0.00 0.22 0.00 0.00 39.33 41.16 1xds h ASP 263 CO 0.55 -0.18 0.11 -0.08 -1.72 0.00 0.00 179.24 177.91 1xds h GLU 264 N 0.11 0.25 -0.23 3.56 4.81 -1.99 -0.66 114.58 120.43 1xds h GLU 264 Ca 0.42 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.43 1xds h GLU 264 Cb 0.75 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1xds h GLU 264 CO -0.67 0.23 -0.64 -0.44 -0.73 0.00 0.00 179.01 176.76 1xds h ASP 265 N 0.21 0.97 -0.98 1.04 3.32 -1.79 -2.64 116.42 116.54 1xds h ASP 265 Ca 0.07 -0.57 0.05 0.00 0.02 0.00 0.00 57.03 56.59 1xds h ASP 265 Cb 0.04 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.25 1xds h ASP 265 CO -0.01 1.37 0.64 0.00 -1.72 0.00 0.00 179.24 179.51 1xds h ALA 266 N 0.62 1.39 -0.49 3.45 0.00 -1.03 -2.12 119.26 121.09 1xds h ALA 266 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1xds h ALA 266 Cb 1.26 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1xds h ALA 266 CO 0.14 0.49 -0.07 1.25 0.00 0.00 0.00 179.25 181.06 1xds h LEU 267 N 1.20 0.86 -0.24 0.00 5.85 -1.02 0.44 115.31 122.40 1xds h LEU 267 Ca 0.40 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1xds h LEU 267 Cb 0.07 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1xds h LEU 267 CO -0.14 0.96 0.00 0.00 -0.34 0.00 0.00 178.44 178.93 1xds h THR 268 N 0.79 0.00 0.02 1.05 1.03 -1.07 -1.09 112.91 113.64 1xds h THR 268 Ca 0.14 -0.67 -0.20 0.00 -0.01 0.00 0.00 66.41 65.67 1xds h THR 268 Cb 0.58 1.65 0.02 0.00 -1.07 0.00 0.00 68.15 69.32 1xds h THR 268 CO 0.04 0.00 -0.78 0.40 -0.01 0.00 0.00 175.52 175.17 1xds h ILE 269 N 0.00 1.38 -0.53 0.00 2.04 -1.02 -2.90 117.51 116.49 1xds h ILE 269 Ca 0.00 -2.18 -0.01 0.00 1.00 0.00 0.00 64.86 63.67 1xds h ILE 269 Cb 0.78 2.59 -0.03 0.00 -0.74 0.00 0.00 36.82 39.43 1xds h ILE 269 CO 0.00 0.65 0.30 -0.07 0.00 0.00 0.00 178.15 179.03 1xds h LEU 270 N 0.03 0.65 -0.73 1.44 3.38 -0.64 -0.66 115.31 118.77 1xds h LEU 270 Ca -0.10 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1xds h LEU 270 Cb 1.48 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1xds h LEU 270 CO 0.15 0.54 -0.17 0.03 0.09 0.00 0.00 178.44 179.08 1xds h ARG 271 N 0.71 0.79 -0.72 1.13 3.08 -1.32 0.25 114.38 118.29 1xds h ARG 271 Ca 0.19 -0.29 0.05 0.00 0.07 0.00 0.00 59.98 60.00 1xds h ARG 271 Cb 0.02 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1xds h ARG 271 CO -0.03 0.91 0.43 0.78 -1.07 0.00 0.00 179.97 180.98 1xds h GLY 272 N 0.97 1.07 1.40 0.04 0.00 -1.26 -2.10 103.07 103.19 1xds h GLY 272 Ca 0.11 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 1xds h GLY 272 CO 0.05 0.21 -0.31 0.00 0.00 0.00 0.00 176.54 176.49 1xds h VAL 274 N 0.58 1.25 -0.14 0.00 2.07 -0.81 -2.00 116.25 117.20 1xds h VAL 274 Ca 0.07 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 1xds h VAL 274 Cb 0.81 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1xds h VAL 274 CO 0.07 0.33 -0.30 -0.09 0.02 0.00 0.00 177.57 177.60 1xds h ARG 275 N 1.09 0.27 -0.00 1.57 2.43 -1.22 -2.27 114.38 116.26 1xds h ARG 275 Ca 0.25 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1xds h ARG 275 Cb 0.23 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1xds h ARG 275 CO -0.02 0.55 -0.29 0.00 -1.51 0.00 0.00 179.97 178.70 1xds n ALA 276 N -2.48 3.10 -2.33 2.80 0.00 -1.09 -4.81 120.51 115.70 1xds n ALA 276 Ca -0.01 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 1xds n ALA 276 Cb 0.40 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 1xds n ALA 276 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xds s LEU 277 N -2.76 3.87 0.81 0.00 2.96 -0.77 -1.33 118.68 121.46 1xds s LEU 277 Ca 0.19 1.30 -0.11 0.00 -0.22 0.00 0.00 54.13 55.28 1xds s LEU 277 Cb 0.19 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.42 1xds s LEU 277 CO 0.58 -1.15 1.14 -1.61 -1.32 0.00 0.00 176.35 173.99 1xds s GLU 278 N 4.36 1.78 0.01 1.98 2.02 -0.88 -4.84 118.70 123.12 1xds s GLU 278 Ca 0.61 1.45 -0.38 0.00 0.02 0.00 0.00 54.97 56.67 1xds s GLU 278 Cb -0.19 -1.82 -0.17 0.00 0.10 0.00 0.00 34.13 32.05 1xds s GLU 278 CO 0.25 -2.05 1.41 -2.30 0.02 0.00 0.00 175.26 172.60 1xds n PRO 279 N -3.58 1.09 -1.06 0.39 -0.02 -1.26 -0.44 135.00 130.12 1xds n PRO 279 Ca 0.11 0.39 -0.02 0.00 -2.02 0.00 0.00 63.50 61.96 1xds n PRO 279 Cb 0.52 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 1xds n PRO 279 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xds n GLY 280 N 2.82 0.52 3.76 -1.23 0.00 -1.26 -5.03 105.19 104.77 1xds n GLY 280 Ca 0.20 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1xds n GLY 280 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xds s GLY 281 N -2.30 1.66 -0.04 -0.02 0.00 0.42 -5.05 107.32 101.99 1xds s GLY 281 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.76 1xds s GLY 281 CO 0.00 -0.19 -0.08 0.50 0.00 0.00 0.00 173.10 173.33 1xds s ARG 282 N -5.58 1.08 -0.24 2.90 1.81 -0.72 -4.48 118.95 113.72 1xds s ARG 282 Ca 0.71 -0.25 -0.15 0.00 -1.72 0.00 0.00 55.73 54.32 1xds s ARG 282 Cb -0.08 -0.99 -0.04 0.00 -0.45 0.00 0.00 34.95 33.39 1xds s ARG 282 CO 0.54 0.01 0.37 -1.17 -0.68 0.00 0.00 175.30 174.37 1xds s LEU 283 N 0.60 4.09 -0.24 2.53 2.96 0.08 -2.07 118.68 126.63 1xds s LEU 283 Ca -0.10 0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 54.09 1xds s LEU 283 Cb -0.13 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 1xds s LEU 283 CO 0.01 -0.12 0.14 -0.76 -1.32 0.00 0.00 176.35 174.31 1xds s LEU 284 N 1.67 3.97 -0.22 -0.68 1.43 0.22 -0.22 118.68 124.84 1xds s LEU 284 Ca 0.16 0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 1xds s LEU 284 Cb -0.15 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1xds s LEU 284 CO 0.09 0.03 0.02 -0.69 0.23 0.00 0.00 176.35 176.03 1xds s VAL 285 N 1.24 3.95 -0.32 -1.59 1.01 -0.32 -0.72 120.40 123.64 1xds s VAL 285 Ca 0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1xds s VAL 285 Cb -0.14 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1xds s VAL 285 CO 0.06 0.39 0.11 -0.76 0.00 0.00 0.00 175.10 174.90 1xds s LEU 286 N 1.36 4.16 0.33 3.92 1.43 -0.21 -0.84 118.68 128.84 1xds s LEU 286 Ca 0.05 -0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 52.08 1xds s LEU 286 Cb -0.15 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.20 1xds s LEU 286 CO 0.01 -0.27 0.70 -0.62 0.23 0.00 0.00 176.35 176.40 1xds s ASP 287 N 1.47 0.01 -0.25 2.29 -1.08 -1.03 -0.09 116.67 118.00 1xds s ASP 287 Ca 0.01 -0.99 -0.29 0.00 -0.52 0.00 0.00 52.55 50.76 1xds s ASP 287 Cb -0.18 0.76 0.01 0.00 -1.46 0.00 0.00 42.92 42.05 1xds s ASP 287 CO 0.03 -1.48 1.05 -0.60 0.52 0.00 0.00 175.17 174.70 1xds s ARG 288 N -3.10 4.22 -0.48 4.34 6.06 -1.26 -1.00 118.95 127.73 1xds s ARG 288 Ca 0.17 1.31 0.06 0.00 -2.50 0.00 0.00 55.73 54.76 1xds s ARG 288 Cb -0.04 -3.66 0.21 0.00 0.06 0.00 0.00 34.95 31.51 1xds s ARG 288 CO 0.11 -0.68 0.48 0.00 -2.50 0.00 0.00 175.30 172.70 1xds n ALA 289 N 6.43 2.98 -1.76 6.12 0.00 -1.26 -4.33 120.51 128.68 1xds n ALA 289 Ca 0.12 -3.65 -0.40 0.00 0.00 0.00 0.00 53.44 49.51 1xds n ALA 289 Cb 0.46 -0.83 0.02 0.00 0.00 0.00 0.00 19.45 19.10 1xds n ALA 289 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xds n ASP 290 N 1.97 3.27 -4.07 0.00 9.92 -1.26 -3.73 116.55 122.66 1xds n ASP 290 Ca 0.26 1.12 -0.19 0.00 -0.53 0.00 0.00 54.79 55.44 1xds n ASP 290 Cb 0.47 -1.60 -0.14 0.00 -0.64 0.00 0.00 41.12 39.21 1xds n ASP 290 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1xds s VAL 291 N -1.19 0.88 0.38 2.53 1.01 -1.26 -0.97 120.40 121.77 1xds s VAL 291 Ca 0.61 -0.62 0.22 0.00 0.00 0.00 0.00 61.98 62.20 1xds s VAL 291 Cb -0.45 -0.76 0.38 0.00 0.00 0.00 0.00 36.38 35.55 1xds s VAL 291 CO 0.57 0.14 1.60 -0.33 0.00 0.00 0.00 175.10 177.09 1xds h GLU 292 N 5.57 0.08 -0.28 2.72 4.39 -2.03 -0.70 114.58 124.33 1xds h GLU 292 Ca -0.33 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1xds h GLU 292 Cb 1.18 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1xds h GLU 292 CO 0.48 0.05 0.00 0.41 -1.16 0.00 0.00 179.01 178.79 1xds n GLY 293 N -1.33 3.73 0.33 -3.84 0.00 -1.26 -4.71 105.19 98.10 1xds n GLY 293 Ca 0.37 -0.87 0.23 0.00 0.00 0.00 0.00 46.02 45.75 1xds n GLY 293 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xds h ASP 294 N 1.82 0.02 0.00 1.61 3.45 -1.55 -3.44 116.42 118.33 1xds h ASP 294 Ca 0.00 0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.72 1xds h ASP 294 Cb 1.26 0.34 0.00 0.00 -0.56 0.00 0.00 39.33 40.36 1xds h ASP 294 CO 0.16 -0.36 0.00 0.61 -1.57 0.00 0.00 179.24 178.09 1xds n GLY 295 N -1.36 0.59 3.77 2.75 0.00 -1.26 -5.01 105.19 104.67 1xds n GLY 295 Ca 0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.95 1xds n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xds s ALA 296 N -2.54 3.22 -0.30 4.61 0.00 -1.26 -4.94 121.76 120.55 1xds s ALA 296 Ca 0.00 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 52.33 1xds s ALA 296 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1xds s ALA 296 CO 0.00 -0.00 1.44 0.34 0.00 0.00 0.00 175.76 177.53 1xds s ASP 297 N -1.41 6.48 0.12 0.00 -1.08 -1.26 -4.88 116.67 114.64 1xds s ASP 297 Ca 0.50 1.24 0.22 0.00 -0.52 0.00 0.00 52.55 53.99 1xds s ASP 297 Cb -0.23 -2.54 0.87 0.00 -1.46 0.00 0.00 42.92 39.56 1xds s ASP 297 CO 0.29 -1.24 1.67 0.54 0.52 0.00 0.00 175.17 176.95 1xds n ARG 298 N 7.63 0.11 -0.07 4.34 5.12 -1.26 -2.38 116.66 130.14 1xds n ARG 298 Ca 0.17 0.27 -0.07 0.00 -1.93 0.00 0.00 57.85 56.28 1xds n ARG 298 Cb 0.47 -1.67 -0.00 0.00 -1.16 0.00 0.00 32.46 30.09 1xds n ARG 298 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1xds h PHE 299 N 0.00 -0.01 -0.03 -1.55 3.57 -2.00 -1.35 116.94 115.58 1xds h PHE 299 Ca 0.00 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 1xds h PHE 299 Cb 0.40 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1xds h PHE 299 CO 0.00 -0.04 -0.70 0.74 -2.23 0.00 0.00 178.31 176.08 1xds h PHE 300 N 0.09 0.19 -0.18 0.41 -1.00 -1.85 -1.26 116.94 113.33 1xds h PHE 300 Ca 0.14 -0.08 0.01 0.00 2.81 0.00 0.00 57.97 60.84 1xds h PHE 300 Cb 0.18 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 1xds h PHE 300 CO -0.21 0.79 0.11 0.77 -1.61 0.00 0.00 178.31 178.15 1xds h SER 301 N 0.09 0.17 0.16 2.17 0.02 -1.48 -2.64 113.55 112.05 1xds h SER 301 Ca -0.02 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.67 1xds h SER 301 Cb 1.24 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 63.76 1xds h SER 301 CO 0.10 0.13 -1.08 0.71 -1.14 0.00 0.00 176.83 175.55 1xds h THR 302 N 0.22 1.32 0.34 -2.27 1.35 -1.17 -2.17 112.91 110.53 1xds h THR 302 Ca 0.07 -2.40 -0.00 0.00 -0.55 0.00 0.00 66.41 63.53 1xds h THR 302 Cb -0.01 2.50 -0.02 0.00 -1.73 0.00 0.00 68.15 68.89 1xds h THR 302 CO -0.03 0.73 -0.33 0.25 -0.25 0.00 0.00 175.52 175.90 1xds h LEU 303 N 0.30 -0.87 -1.21 3.87 5.85 -1.28 0.17 115.31 122.13 1xds h LEU 303 Ca -0.13 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1xds h LEU 303 Cb 1.74 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 43.03 1xds h LEU 303 CO 0.20 -0.46 0.31 0.25 -0.34 0.00 0.00 178.44 178.40 1xds h LEU 304 N -0.69 0.77 -0.49 2.25 5.85 -1.56 -0.99 115.31 120.45 1xds h LEU 304 Ca -0.02 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1xds h LEU 304 Cb 0.62 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1xds h LEU 304 CO -0.06 0.64 0.26 -0.78 -0.34 0.00 0.00 178.44 178.16 1xds h ASP 305 N 0.86 0.62 -0.13 1.25 3.58 -0.81 -2.92 116.42 118.87 1xds h ASP 305 Ca 0.22 -0.10 -0.11 0.00 0.42 0.00 0.00 57.03 57.46 1xds h ASP 305 Cb 0.06 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1xds h ASP 305 CO -0.03 0.55 -0.27 -0.07 -2.88 0.00 0.00 179.24 176.53 1xds h LEU 306 N 0.65 0.61 -1.70 2.28 3.38 -0.02 -1.89 115.31 118.61 1xds h LEU 306 Ca 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xds h LEU 306 Cb 0.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xds h LEU 306 CO -0.03 0.86 0.00 0.54 0.09 0.00 0.00 178.44 179.90 1xds n ARG 307 N -4.10 0.18 0.00 1.13 1.74 -0.44 -0.48 116.66 114.69 1xds n ARG 307 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1xds n ARG 307 Cb 0.44 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1xds n ARG 307 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1xds n LEU 309 N 0.76 0.00 0.06 0.55 7.94 -0.71 -1.02 117.00 124.58 1xds n LEU 309 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 1xds n LEU 309 Cb 0.08 0.00 0.17 0.00 0.53 0.00 0.00 43.42 44.20 1xds n LEU 309 CO 0.00 0.00 0.61 0.74 -1.11 0.00 0.00 177.39 177.63 1xds h THR 310 N 0.00 1.32 0.00 1.96 2.02 -1.04 -2.88 112.91 114.29 1xds h THR 310 Ca 0.00 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.58 1xds h THR 310 Cb 0.00 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1xds h THR 310 CO 0.00 0.48 -0.65 -0.26 0.37 0.00 0.00 175.52 175.46 1xds h PHE 311 N 0.27 0.00 -0.18 3.16 0.05 -1.32 -0.60 116.94 118.33 1xds h PHE 311 Ca 0.02 0.00 -0.07 0.00 3.82 0.00 0.00 57.97 61.74 1xds h PHE 311 Cb 0.88 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.79 1xds h PHE 311 CO 0.02 0.00 -0.17 0.41 -0.18 0.00 0.00 178.31 178.39 1xds n GLY 313 N 1.32 4.84 3.72 -1.45 0.00 -1.09 -4.16 105.19 108.37 1xds n GLY 313 Ca 0.03 -1.21 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 1xds n GLY 313 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xds n GLY 314 N -1.09 -0.41 3.38 -0.02 0.00 -1.25 -3.42 105.19 102.39 1xds n GLY 314 Ca 0.25 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 1xds n GLY 314 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xds s ARG 315 N -5.40 0.62 0.04 1.61 1.70 -0.59 -3.46 118.95 113.47 1xds s ARG 315 Ca 0.68 0.54 -0.28 0.00 -0.47 0.00 0.00 55.73 56.20 1xds s ARG 315 Cb -0.03 0.30 -0.05 0.00 -0.57 0.00 0.00 34.95 34.60 1xds s ARG 315 CO 0.47 -0.10 0.87 0.08 -1.08 0.00 0.00 175.30 175.54 1xds s VAL 316 N -0.05 4.74 -0.04 4.99 1.01 -1.26 -4.16 120.40 125.63 1xds s VAL 316 Ca -0.03 1.85 0.04 0.00 0.00 0.00 0.00 61.98 63.85 1xds s VAL 316 Cb -0.03 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1xds s VAL 316 CO 0.02 0.28 -0.15 -0.13 0.00 0.00 0.00 175.10 175.12 1xds s ARG 317 N 0.37 2.44 0.90 2.72 0.52 -1.26 -5.00 118.95 119.64 1xds s ARG 317 Ca 0.45 -0.73 -0.11 0.00 -0.52 0.00 0.00 55.73 54.81 1xds s ARG 317 Cb -0.21 -2.34 0.13 0.00 0.52 0.00 0.00 34.95 33.05 1xds s ARG 317 CO 0.26 0.61 1.10 0.95 0.02 0.00 0.00 175.30 178.24 1xds s THR 318 N -0.74 2.61 0.23 0.02 -4.23 -1.26 -4.14 115.64 108.13 1xds s THR 318 Ca 0.12 0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 60.73 1xds s THR 318 Cb -0.11 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.50 1xds s THR 318 CO 0.01 -0.26 1.62 -0.09 -0.54 0.00 0.00 174.62 175.36 1xds h ARG 319 N -1.65 0.05 -0.74 3.99 1.12 -1.14 -0.64 114.38 115.37 1xds h ARG 319 Ca -0.47 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.37 1xds h ARG 319 Cb 1.27 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 31.19 1xds h ARG 319 CO 0.50 0.03 0.39 -0.44 -3.11 0.00 0.00 179.97 177.34 1xds h ASP 320 N 0.05 0.95 -0.65 -3.80 3.32 -1.92 -0.21 116.42 114.15 1xds h ASP 320 Ca 0.37 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.22 1xds h ASP 320 Cb 0.61 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1xds h ASP 320 CO -0.69 0.79 0.07 -0.33 -1.72 0.00 0.00 179.24 177.36 1xds h GLU 321 N 1.03 1.10 -0.25 3.56 5.08 -1.67 0.24 114.58 123.68 1xds h GLU 321 Ca 0.26 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1xds h GLU 321 Cb 0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1xds h GLU 321 CO -0.04 1.03 0.05 0.28 -1.00 0.00 0.00 179.01 179.33 1xds h VAL 322 N 1.02 1.22 -0.59 3.13 2.07 -0.79 -1.20 116.25 121.11 1xds h VAL 322 Ca 0.19 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 1xds h VAL 322 Cb 0.49 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1xds h VAL 322 CO 0.02 0.24 0.02 0.58 0.02 0.00 0.00 177.57 178.45 1xds h VAL 323 N 0.22 1.26 -0.14 2.57 2.07 -0.88 0.14 116.25 121.49 1xds h VAL 323 Ca 0.08 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1xds h VAL 323 Cb 0.31 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1xds h VAL 323 CO 0.00 0.40 0.06 0.44 0.02 0.00 0.00 177.57 178.50 1xds h ASP 324 N 0.94 0.18 -0.67 0.57 3.32 -0.46 -1.70 116.42 118.61 1xds h ASP 324 Ca 0.17 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.15 1xds h ASP 324 Cb 0.52 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 1xds h ASP 324 CO 0.02 0.28 0.35 0.25 -1.72 0.00 0.00 179.24 178.42 1xds h LEU 325 N 0.08 0.49 -1.13 1.55 5.85 -0.98 -2.00 115.31 119.17 1xds h LEU 325 Ca 0.05 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1xds h LEU 325 Cb 0.15 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1xds h LEU 325 CO -0.00 0.30 0.33 0.00 -0.34 0.00 0.00 178.44 178.73 1xds h ALA 326 N 1.38 1.33 -0.95 1.25 0.00 -0.81 -2.27 119.26 119.19 1xds h ALA 326 Ca 0.31 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1xds h ALA 326 Cb 0.26 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 1xds h ALA 326 CO -0.22 0.53 0.58 0.78 0.00 0.00 0.00 179.25 180.92 1xds h GLY 327 N 1.01 1.55 2.00 0.00 0.00 -0.54 0.06 103.07 107.15 1xds h GLY 327 Ca 0.23 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1xds h GLY 327 CO -0.03 0.13 -0.34 1.76 0.00 0.00 0.00 176.54 178.05 1xds h SER 328 N 0.91 0.00 0.24 0.19 0.02 -1.22 -0.98 113.55 112.71 1xds h SER 328 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1xds h SER 328 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1xds h SER 328 CO -0.28 0.34 -0.08 0.00 -1.14 0.00 0.00 176.83 175.68 1xds n ALA 329 N -2.35 2.73 -0.01 3.77 0.00 -0.82 -4.93 120.51 118.90 1xds n ALA 329 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1xds n ALA 329 Cb 0.43 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1xds n ALA 329 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xds n GLY 330 N 1.22 1.36 3.45 0.00 0.00 -0.37 -4.82 105.19 106.03 1xds n GLY 330 Ca 0.17 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1xds n GLY 330 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xds s LEU 331 N 0.00 2.59 -0.02 0.99 1.43 -0.06 -1.83 118.68 121.78 1xds s LEU 331 Ca 0.00 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1xds s LEU 331 Cb 0.00 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 1xds s LEU 331 CO 0.00 0.28 -0.24 0.00 0.23 0.00 0.00 176.35 176.62 1xds s ALA 332 N -0.85 2.24 0.02 4.21 0.00 -0.87 -3.05 121.76 123.47 1xds s ALA 332 Ca 0.13 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1xds s ALA 332 Cb -0.10 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1xds s ALA 332 CO 0.03 0.53 1.10 -1.17 0.00 0.00 0.00 175.76 176.26 1xds s LEU 333 N -0.70 4.36 -0.23 0.00 0.20 -1.26 -1.30 118.68 119.74 1xds s LEU 333 Ca 0.10 1.84 -0.01 0.00 0.69 0.00 0.00 54.13 56.76 1xds s LEU 333 Cb -0.10 -3.57 -0.19 0.00 -0.43 0.00 0.00 46.19 41.90 1xds s LEU 333 CO -0.00 -0.39 -0.12 0.00 -0.29 0.00 0.00 176.35 175.55 1xds n ALA 334 N 4.03 1.32 -3.50 5.97 0.00 0.34 -4.92 120.51 123.74 1xds n ALA 334 Ca 0.08 -1.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.42 1xds n ALA 334 Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 1xds n ALA 334 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xds s SER 335 N -6.67 -0.46 -0.08 0.00 1.04 -1.20 -5.02 113.70 101.32 1xds s SER 335 Ca -0.33 -0.08 -0.06 0.00 0.48 0.00 0.00 55.95 55.97 1xds s SER 335 Cb 0.09 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.78 1xds s SER 335 CO 0.63 -0.89 0.20 -1.83 0.98 0.00 0.00 173.24 172.32 1xds s GLU 336 N -3.55 0.20 0.01 4.02 -1.05 -1.26 -0.65 118.70 116.42 1xds s GLU 336 Ca 0.04 0.36 0.03 0.00 -0.15 0.00 0.00 54.97 55.25 1xds s GLU 336 Cb -0.01 -0.00 -0.01 0.00 -0.44 0.00 0.00 34.13 33.66 1xds s GLU 336 CO -0.09 -0.09 -0.10 1.03 0.95 0.00 0.00 175.26 176.96 1xds s ARG 337 N 0.60 0.73 0.04 -4.83 0.52 -0.60 -4.99 118.95 110.43 1xds s ARG 337 Ca -0.04 -0.48 -0.21 0.00 -0.52 0.00 0.00 55.73 54.48 1xds s ARG 337 Cb -0.06 -0.69 -0.06 0.00 0.52 0.00 0.00 34.95 34.66 1xds s ARG 337 CO -0.03 0.18 0.64 0.99 0.02 0.00 0.00 175.30 177.09 1xds s THR 338 N -0.52 4.78 0.00 0.02 2.01 -1.26 -0.30 115.64 120.37 1xds s THR 338 Ca 0.01 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.36 1xds s THR 338 Cb -0.05 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1xds s THR 338 CO 0.00 0.45 0.00 -0.24 -0.69 0.00 0.00 174.62 174.14 1xds n SER 339 N 2.38 0.29 0.00 3.53 2.88 -0.12 -4.94 113.62 117.63 1xds n SER 339 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1xds n SER 339 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1xds n SER 339 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xds n GLY 340 N 1.36 2.53 3.48 0.46 0.00 -1.26 -2.01 105.19 109.74 1xds n GLY 340 Ca 0.00 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1xds n GLY 340 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xds n SER 341 N 0.00 -0.43 0.14 1.61 2.88 -1.08 -4.92 113.62 111.82 1xds n SER 341 Ca 0.00 1.00 0.02 0.00 -1.33 0.00 0.00 58.87 58.56 1xds n SER 341 Cb 0.00 -1.13 0.12 0.00 -0.75 0.00 0.00 64.21 62.45 1xds n SER 341 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1xds h THR 342 N 1.10 1.05 0.00 2.46 2.02 -2.01 -3.40 112.91 114.14 1xds h THR 342 Ca -0.38 -2.16 -0.32 0.00 0.77 0.00 0.00 66.41 64.31 1xds h THR 342 Cb 1.39 2.30 -0.06 0.00 -1.74 0.00 0.00 68.15 70.04 1xds h THR 342 CO 0.54 0.54 -2.19 0.35 0.37 0.00 0.00 175.52 175.13 1xds n THR 343 N -3.40 1.19 -4.19 3.16 -2.24 -1.26 -5.03 114.28 102.52 1xds n THR 343 Ca 0.01 -0.43 -0.23 0.00 -2.27 0.00 0.00 64.05 61.13 1xds n THR 343 Cb 0.68 -1.34 -0.06 0.00 -2.10 0.00 0.00 70.33 67.51 1xds n THR 343 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xds s LEU 344 N -6.39 3.53 -1.10 3.22 1.43 -1.26 -4.77 118.68 113.34 1xds s LEU 344 Ca -0.28 -0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 52.20 1xds s LEU 344 Cb 0.08 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.25 1xds s LEU 344 CO 0.46 0.00 1.65 -2.16 0.23 0.00 0.00 176.35 176.54 1xds s PRO 345 N -3.60 3.45 -0.36 1.29 0.04 -1.26 -4.60 135.00 129.96 1xds s PRO 345 Ca 0.31 -1.26 0.05 0.00 0.04 0.00 0.00 61.00 60.14 1xds s PRO 345 Cb -0.08 -5.36 0.17 0.00 0.04 0.00 0.00 34.50 29.27 1xds s PRO 345 CO 0.22 -2.56 0.48 0.12 0.04 0.00 0.00 177.00 175.30 1xds s PHE 346 N 6.07 -1.01 0.38 0.56 5.36 -1.26 -4.98 117.98 123.10 1xds s PHE 346 Ca 0.54 -0.13 -0.25 0.00 -0.96 0.00 0.00 56.93 56.12 1xds s PHE 346 Cb 0.00 -0.07 -0.09 0.00 -0.34 0.00 0.00 43.02 42.52 1xds s PHE 346 CO -0.01 -1.05 1.12 0.34 -1.46 0.00 0.00 175.22 174.16 1xds s ASP 347 N 1.87 6.69 0.34 6.13 -1.08 -1.26 -2.62 116.67 126.73 1xds s ASP 347 Ca 0.15 2.24 0.05 0.00 -0.52 0.00 0.00 52.55 54.47 1xds s ASP 347 Cb -0.11 -2.61 -0.02 0.00 -1.46 0.00 0.00 42.92 38.73 1xds s ASP 347 CO -0.11 -0.55 0.35 0.72 0.52 0.00 0.00 175.17 176.09 1xds s PHE 348 N -1.45 1.61 0.20 -5.34 -0.12 -0.85 -4.83 117.98 107.20 1xds s PHE 348 Ca 0.56 -1.59 0.08 0.00 -0.05 0.00 0.00 56.93 55.93 1xds s PHE 348 Cb -0.28 -0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 41.51 1xds s PHE 348 CO 0.36 -0.97 -0.16 -1.12 -0.05 0.00 0.00 175.22 173.28 1xds s SER 349 N -3.35 2.67 -0.24 1.98 0.01 -0.17 -0.95 113.70 113.65 1xds s SER 349 Ca 0.38 -0.98 0.02 0.00 1.31 0.00 0.00 55.95 56.68 1xds s SER 349 Cb 0.01 -0.15 0.05 0.00 0.21 0.00 0.00 66.02 66.14 1xds s SER 349 CO 0.27 -0.12 -0.10 -0.63 0.41 0.00 0.00 173.24 173.06 1xds s ILE 350 N -2.70 1.94 -0.28 1.44 1.01 0.59 -2.46 121.20 120.74 1xds s ILE 350 Ca 0.21 -1.40 -0.05 0.00 0.00 0.00 0.00 60.65 59.42 1xds s ILE 350 Cb -0.02 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.41 1xds s ILE 350 CO 0.07 0.03 0.03 -0.76 0.00 0.00 0.00 174.94 174.31 1xds s LEU 351 N 1.22 3.63 -0.11 2.97 1.43 -0.02 -1.56 118.68 126.25 1xds s LEU 351 Ca -0.06 -0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 52.10 1xds s LEU 351 Cb -0.19 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1xds s LEU 351 CO -0.06 -0.18 0.30 -0.70 0.23 0.00 0.00 176.35 175.94 1xds s GLU 352 N 1.42 4.00 0.12 1.70 2.12 0.18 -1.17 118.70 127.07 1xds s GLU 352 Ca 0.01 0.14 0.08 0.00 0.36 0.00 0.00 54.97 55.56 1xds s GLU 352 Cb -0.17 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1xds s GLU 352 CO -0.00 0.47 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.94 1xds s PHE 353 N -0.25 1.69 0.07 5.30 0.40 0.70 -0.51 117.98 125.39 1xds s PHE 353 Ca 0.18 -0.46 0.09 0.00 -0.60 0.00 0.00 56.93 56.14 1xds s PHE 353 Cb -0.14 -0.89 -0.03 0.00 0.51 0.00 0.00 43.02 42.47 1xds s PHE 353 CO 0.07 0.23 -0.23 0.95 0.70 0.00 0.00 175.22 176.93 1xds s THR 354 N -1.63 2.44 -0.01 0.64 -4.23 -0.42 -0.74 115.64 111.68 1xds s THR 354 Ca 0.09 -1.43 -0.30 0.00 -1.18 0.00 0.00 61.69 58.87 1xds s THR 354 Cb -0.08 -2.03 -0.06 0.00 1.34 0.00 0.00 72.50 71.68 1xds s THR 354 CO 0.05 0.26 1.49 0.00 -0.54 0.00 0.00 174.62 175.88 1xds s ALA 355 N -0.94 3.61 -2.00 3.99 0.00 -1.26 -2.05 121.76 123.11 1xds s ALA 355 Ca 0.14 0.92 0.10 0.00 0.00 0.00 0.00 51.96 53.12 1xds s ALA 355 Cb -0.10 -3.65 0.62 0.00 0.00 0.00 0.00 23.12 19.99 1xds s ALA 355 CO 0.05 -1.07 1.14 1.55 0.00 0.00 0.00 175.76 177.43 1xds n VAL 356 N 4.90 0.00 -0.97 0.00 3.14 -0.76 -4.96 118.33 119.67 1xds n VAL 356 Ca 0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 1xds n VAL 356 Cb 0.43 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1xds n VAL 356 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83