#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ua2 n LYS 14 N 0.00 0.00 -0.05 3.44 5.02 -1.26 -2.79 118.16 122.52 1ua2 n LYS 14 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1ua2 n LYS 14 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.39 1ua2 n LYS 14 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ua2 n LEU 15 N 6.08 0.00 -3.55 -0.35 4.77 0.21 -4.96 117.00 119.20 1ua2 n LEU 15 Ca 0.45 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.36 1ua2 n LEU 15 Cb -0.05 0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1ua2 n LEU 15 CO 0.89 0.24 0.68 -1.81 -1.33 0.00 0.00 177.39 176.06 1ua2 s ASP 16 N -4.52 -0.34 -0.16 -1.43 1.01 -1.05 -5.00 116.67 105.19 1ua2 s ASP 16 Ca -0.07 -0.08 -0.07 0.00 0.71 0.00 0.00 52.55 53.04 1ua2 s ASP 16 Cb 0.07 0.41 -0.04 0.00 1.01 0.00 0.00 42.92 44.37 1ua2 s ASP 16 CO 0.65 -0.69 0.10 0.12 0.21 0.00 0.00 175.17 175.56 1ua2 s PHE 17 N -3.17 3.39 -0.54 4.23 5.36 -1.26 -2.60 117.98 123.38 1ua2 s PHE 17 Ca 0.06 0.30 0.07 0.00 -0.96 0.00 0.00 56.93 56.40 1ua2 s PHE 17 Cb -0.01 -2.02 -0.04 0.00 -0.34 0.00 0.00 43.02 40.61 1ua2 s PHE 17 CO -0.07 0.41 0.44 1.28 -1.46 0.00 0.00 175.22 175.82 1ua2 n LEU 18 N 2.88 0.73 0.00 6.12 4.77 -0.75 -4.86 117.00 125.89 1ua2 n LEU 18 Ca -0.18 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1ua2 n LEU 18 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1ua2 n LEU 18 CO 0.34 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1ua2 n GLY 19 N 0.96 3.10 3.94 -0.72 0.00 -1.20 -4.95 105.19 106.32 1ua2 n GLY 19 Ca 0.02 -1.97 -0.20 0.00 0.00 0.00 0.00 46.02 43.87 1ua2 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ua2 s GLU 20 N -2.52 2.93 0.07 1.61 1.03 -1.26 -0.89 118.70 119.67 1ua2 s GLU 20 Ca 0.00 -1.16 0.00 0.00 0.03 0.00 0.00 54.97 53.85 1ua2 s GLU 20 Cb 0.00 -2.67 -0.04 0.00 -0.80 0.00 0.00 34.13 30.62 1ua2 s GLU 20 CO 0.00 0.04 -0.05 0.20 -1.33 0.00 0.00 175.26 174.12 1ua2 s GLY 21 N -4.12 0.59 0.00 -3.83 0.00 0.67 -4.92 107.32 95.71 1ua2 s GLY 21 Ca 0.44 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1ua2 s GLY 21 CO 0.29 -1.35 0.00 -1.06 0.00 0.00 0.00 173.10 170.98 1ua2 n GLN 22 N 0.11 0.00 -1.30 2.90 6.02 -1.26 -1.74 117.38 122.11 1ua2 n GLN 22 Ca -0.14 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.88 1ua2 n GLN 22 Cb 0.61 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.96 1ua2 n GLN 22 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ua2 n PHE 23 N -3.76 0.29 -3.60 1.08 3.01 -1.26 -1.20 117.46 112.01 1ua2 n PHE 23 Ca 0.00 -1.14 -0.07 0.00 1.01 0.00 0.00 57.45 57.26 1ua2 n PHE 23 Cb 0.00 -0.21 -0.04 0.00 -0.01 0.00 0.00 39.48 39.22 1ua2 n PHE 23 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ua2 s ALA 24 N -1.80 -2.01 -0.15 4.37 0.00 -0.71 -4.57 121.76 116.88 1ua2 s ALA 24 Ca 0.36 1.67 -0.07 0.00 0.00 0.00 0.00 51.96 53.93 1ua2 s ALA 24 Cb 0.38 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1ua2 s ALA 24 CO -0.11 -0.34 0.07 0.99 0.00 0.00 0.00 175.76 176.38 1ua2 s THR 25 N -1.34 4.92 -0.16 0.00 2.01 -0.95 -0.24 115.64 119.88 1ua2 s THR 25 Ca 0.04 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 1ua2 s THR 25 Cb -0.01 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1ua2 s THR 25 CO -0.03 0.52 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.71 1ua2 s VAL 26 N -0.18 4.03 -0.19 3.82 1.01 -0.07 0.12 120.40 128.96 1ua2 s VAL 26 Ca 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1ua2 s VAL 26 Cb -0.12 -2.77 0.05 0.00 0.00 0.00 0.00 36.38 33.54 1ua2 s VAL 26 CO 0.01 0.49 -0.04 -0.31 0.00 0.00 0.00 175.10 175.26 1ua2 s TYR 27 N 0.31 1.76 0.31 5.22 1.51 0.41 -1.81 117.35 125.07 1ua2 s TYR 27 Ca -0.03 -1.21 -0.30 0.00 -1.01 0.00 0.00 57.07 54.53 1ua2 s TYR 27 Cb -0.14 -1.33 -0.12 0.00 -0.11 0.00 0.00 41.96 40.26 1ua2 s TYR 27 CO 0.03 -0.65 1.56 1.17 -1.11 0.00 0.00 175.55 176.54 1ua2 n LYS 28 N 4.85 2.64 -3.82 -0.62 4.81 -1.07 -1.90 118.16 123.04 1ua2 n LYS 28 Ca -0.11 0.94 -0.08 0.00 -0.87 0.00 0.00 58.31 58.18 1ua2 n LYS 28 Cb 0.47 -2.69 -0.03 0.00 0.02 0.00 0.00 35.03 32.79 1ua2 n LYS 28 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ua2 s ALA 29 N -0.25 -1.05 -0.27 3.14 0.00 0.28 0.65 121.76 124.27 1ua2 s ALA 29 Ca 0.62 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 1ua2 s ALA 29 Cb -0.50 0.89 0.04 0.00 0.00 0.00 0.00 23.12 23.54 1ua2 s ALA 29 CO 0.52 -0.95 -0.03 0.50 0.00 0.00 0.00 175.76 175.80 1ua2 s ARG 30 N -3.91 2.66 1.29 0.00 6.06 -1.12 0.68 118.95 124.61 1ua2 s ARG 30 Ca 0.12 -1.10 -0.19 0.00 -2.50 0.00 0.00 55.73 52.05 1ua2 s ARG 30 Cb -0.04 -3.09 0.32 0.00 0.06 0.00 0.00 34.95 32.20 1ua2 s ARG 30 CO 0.04 -0.50 1.01 0.34 -2.50 0.00 0.00 175.30 173.69 1ua2 s ASP 31 N 1.30 0.11 -0.32 -2.12 2.15 -1.25 0.38 116.67 116.93 1ua2 s ASP 31 Ca -0.02 0.93 -0.35 0.00 0.43 0.00 0.00 52.55 53.54 1ua2 s ASP 31 Cb -0.18 -1.37 -0.12 0.00 -0.30 0.00 0.00 42.92 40.96 1ua2 s ASP 31 CO -0.03 -4.66 2.13 0.29 -0.17 0.00 0.00 175.17 172.74 1ua2 n LYS 32 N -5.16 1.19 0.00 4.34 4.76 -1.26 -2.99 118.16 119.05 1ua2 n LYS 32 Ca 0.10 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 1ua2 n LYS 32 Cb 0.59 -2.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.31 1ua2 n LYS 32 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1ua2 n ASN 33 N 9.29 0.00 -3.49 4.39 4.05 -1.26 -5.01 115.26 123.22 1ua2 n ASN 33 Ca 0.38 0.00 -0.49 0.00 0.45 0.00 0.00 54.58 54.93 1ua2 n ASN 33 Cb 0.23 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.17 1ua2 n ASN 33 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1ua2 n THR 34 N 0.00 0.00 0.30 -0.44 -1.04 -1.16 -4.83 114.28 107.11 1ua2 n THR 34 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 1ua2 n THR 34 Cb 0.00 -0.25 0.89 0.00 -1.82 0.00 0.00 70.33 69.15 1ua2 n THR 34 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ua2 h ASN 35 N 3.26 0.00 -2.70 8.00 -1.07 -1.95 -3.31 115.58 117.81 1ua2 h ASN 35 Ca -0.35 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 55.44 1ua2 h ASN 35 Cb 1.04 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 37.20 1ua2 h ASN 35 CO 0.65 0.00 -0.62 -1.10 0.07 0.00 0.00 177.43 176.43 1ua2 s GLN 36 N -3.83 2.58 0.15 4.14 -0.21 -1.26 -5.05 119.66 116.17 1ua2 s GLN 36 Ca -0.02 -1.07 -0.31 0.00 0.02 0.00 0.00 55.36 53.98 1ua2 s GLN 36 Cb 0.10 -2.44 -0.10 0.00 1.00 0.00 0.00 33.01 31.58 1ua2 s GLN 36 CO 0.42 0.45 1.57 0.42 -2.12 0.00 0.00 175.29 176.04 1ua2 s ILE 37 N -1.83 2.70 -0.05 1.08 -1.09 -1.26 -4.20 121.20 116.54 1ua2 s ILE 37 Ca 0.29 0.47 -0.09 0.00 -2.23 0.00 0.00 60.65 59.09 1ua2 s ILE 37 Cb -0.09 -3.30 0.02 0.00 -1.58 0.00 0.00 42.46 37.51 1ua2 s ILE 37 CO 0.21 0.03 0.21 0.68 -1.23 0.00 0.00 174.94 174.84 1ua2 s VAL 38 N 1.36 0.03 -0.00 2.92 -7.23 0.22 -3.93 120.40 113.76 1ua2 s VAL 38 Ca 0.70 -0.27 -0.17 0.00 -1.81 0.00 0.00 61.98 60.44 1ua2 s VAL 38 Cb -0.43 -0.40 -0.06 0.00 0.56 0.00 0.00 36.38 36.06 1ua2 s VAL 38 CO 0.31 -0.15 0.47 0.00 -0.31 0.00 0.00 175.10 175.42 1ua2 s ALA 39 N -0.52 3.62 0.06 1.32 0.00 -0.59 -0.55 121.76 125.10 1ua2 s ALA 39 Ca -0.06 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 51.85 1ua2 s ALA 39 Cb -0.04 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 1ua2 s ALA 39 CO 0.01 0.36 -0.26 0.42 0.00 0.00 0.00 175.76 176.29 1ua2 s ILE 40 N -0.72 2.11 -0.03 0.00 1.09 -0.80 0.52 121.20 123.36 1ua2 s ILE 40 Ca 0.26 -1.45 0.07 0.00 -1.10 0.00 0.00 60.65 58.43 1ua2 s ILE 40 Cb -0.17 -1.82 -0.02 0.00 -1.06 0.00 0.00 42.46 39.39 1ua2 s ILE 40 CO 0.14 0.29 -0.25 -0.54 -0.10 0.00 0.00 174.94 174.48 1ua2 s LYS 41 N -1.41 2.19 -0.30 2.79 1.02 0.15 -0.44 119.74 123.74 1ua2 s LYS 41 Ca 0.12 -0.88 -0.05 0.00 0.02 0.00 0.00 55.97 55.18 1ua2 s LYS 41 Cb -0.10 -2.01 0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1ua2 s LYS 41 CO 0.03 0.47 0.05 0.15 -0.92 0.00 0.00 175.35 175.12 1ua2 s LYS 42 N -0.41 2.81 0.00 1.68 1.02 0.33 -0.88 119.74 124.29 1ua2 s LYS 42 Ca 0.04 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 55.00 1ua2 s LYS 42 Cb -0.11 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1ua2 s LYS 42 CO 0.01 -0.52 0.00 -0.89 -0.92 0.00 0.00 175.35 173.03 1ua2 n ILE 43 N 4.77 0.00 0.00 2.17 5.41 0.37 -2.24 119.36 129.84 1ua2 n ILE 43 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1ua2 n ILE 43 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 1ua2 n ILE 43 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1ua2 n ASN 56 N 0.00 0.00 0.00 4.38 4.13 -1.26 -4.43 115.26 118.08 1ua2 n ASN 56 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1ua2 n ASN 56 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ua2 n ASN 56 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1ua2 n ARG 57 N 0.00 0.00 -0.40 3.52 0.63 -1.26 -4.66 116.66 114.49 1ua2 n ARG 57 Ca 0.00 0.00 0.39 0.00 -0.92 0.00 0.00 57.85 57.32 1ua2 n ARG 57 Cb 0.00 -0.78 0.77 0.00 0.45 0.00 0.00 32.46 32.90 1ua2 n ARG 57 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1ua2 h THR 58 N 0.00 0.32 0.17 5.15 2.02 -2.01 -0.64 112.91 117.92 1ua2 h THR 58 Ca 0.00 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.93 1ua2 h THR 58 Cb 0.00 0.32 0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1ua2 h THR 58 CO 0.00 0.00 -1.13 0.00 0.37 0.00 0.00 175.52 174.76 1ua2 h ALA 59 N 1.31 -0.07 -0.38 6.16 0.00 -1.83 -2.74 119.26 121.72 1ua2 h ALA 59 Ca 0.64 -0.82 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1ua2 h ALA 59 Cb 2.60 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 20.56 1ua2 h ALA 59 CO -0.01 0.56 0.44 -0.07 0.00 0.00 0.00 179.25 180.17 1ua2 h LEU 60 N -0.19 0.00 0.00 0.00 3.38 -1.50 -1.91 115.31 115.09 1ua2 h LEU 60 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1ua2 h LEU 60 Cb 1.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1ua2 h LEU 60 CO 0.18 0.00 -0.02 0.03 0.09 0.00 0.00 178.44 178.71 1ua2 h ARG 61 N 0.00 0.00 -0.73 1.13 3.08 -1.55 -3.32 114.38 113.00 1ua2 h ARG 61 Ca 0.18 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.37 1ua2 h ARG 61 Cb 1.06 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.06 1ua2 h ARG 61 CO -0.00 0.00 0.49 1.49 -1.07 0.00 0.00 179.97 180.87 1ua2 h GLU 62 N -0.72 0.41 0.16 0.04 4.57 -1.09 0.40 114.58 118.35 1ua2 h GLU 62 Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1ua2 h GLU 62 Cb 0.02 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1ua2 h GLU 62 CO 0.00 0.27 -0.08 0.82 -1.18 0.00 0.00 179.01 178.84 1ua2 h ILE 63 N 0.42 0.92 -0.50 2.32 2.04 -1.59 -0.03 117.51 121.09 1ua2 h ILE 63 Ca 0.35 -1.08 0.10 0.00 1.00 0.00 0.00 64.86 65.23 1ua2 h ILE 63 Cb 0.78 1.51 -0.10 0.00 -0.74 0.00 0.00 36.82 38.27 1ua2 h ILE 63 CO -0.11 0.22 -0.18 0.11 0.00 0.00 0.00 178.15 178.19 1ua2 h LYS 64 N -0.80 -0.06 -0.16 2.37 1.79 -1.34 -0.45 116.57 117.92 1ua2 h LYS 64 Ca -0.02 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.47 1ua2 h LYS 64 Cb 0.53 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.16 1ua2 h LYS 64 CO 0.04 -0.04 -0.27 1.25 -1.08 0.00 0.00 179.45 179.34 1ua2 h LEU 65 N -0.07 -0.89 0.16 2.94 5.85 -0.25 -1.54 115.31 121.52 1ua2 h LEU 65 Ca 0.24 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1ua2 h LEU 65 Cb 0.44 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1ua2 h LEU 65 CO -0.55 -0.21 -0.08 0.25 -0.34 0.00 0.00 178.44 177.51 1ua2 h LEU 66 N -0.22 -0.18 -0.69 2.25 5.85 -0.64 -2.67 115.31 119.01 1ua2 h LEU 66 Ca 0.03 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.82 1ua2 h LEU 66 Cb 0.30 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.26 1ua2 h LEU 66 CO -0.27 -0.08 -0.39 -0.61 -0.34 0.00 0.00 178.44 176.75 1ua2 h GLN 67 N -0.27 -0.14 -0.85 1.25 4.15 -1.03 0.04 115.11 118.26 1ua2 h GLN 67 Ca -0.02 0.01 0.23 0.00 0.77 0.00 0.00 58.65 59.64 1ua2 h GLN 67 Cb 0.21 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 1ua2 h GLN 67 CO 0.04 -0.09 0.60 0.93 -1.93 0.00 0.00 178.83 178.38 1ua2 h GLU 68 N -0.14 0.09 -6.84 1.69 5.08 -0.92 -3.42 114.58 110.12 1ua2 h GLU 68 Ca 0.24 -0.01 -0.52 0.00 -1.00 0.00 0.00 59.36 58.07 1ua2 h GLU 68 Cb 0.56 -0.02 0.06 0.00 0.50 0.00 0.00 28.75 29.85 1ua2 h GLU 68 CO -0.76 0.06 0.66 -0.51 -1.00 0.00 0.00 179.01 177.46 1ua2 s LEU 69 N -8.76 4.42 -0.31 1.33 1.43 -0.00 -5.00 118.68 111.79 1ua2 s LEU 69 Ca -0.06 2.66 -0.02 0.00 -1.03 0.00 0.00 54.13 55.68 1ua2 s LEU 69 Cb 0.22 -3.64 0.11 0.00 0.03 0.00 0.00 46.19 42.90 1ua2 s LEU 69 CO 0.77 -0.56 0.14 -0.55 0.23 0.00 0.00 176.35 176.37 1ua2 s SER 70 N -0.25 3.57 -0.07 2.29 0.15 -1.26 -4.88 113.70 113.25 1ua2 s SER 70 Ca 0.52 -1.55 -0.06 0.00 0.70 0.00 0.00 55.95 55.55 1ua2 s SER 70 Cb -0.40 -0.50 0.02 0.00 -1.71 0.00 0.00 66.02 63.44 1ua2 s SER 70 CO 0.50 -0.41 0.20 -2.28 1.20 0.00 0.00 173.24 172.44 1ua2 s HIS 71 N 1.78 -0.22 0.42 3.44 5.04 -1.26 -5.01 115.29 119.48 1ua2 s HIS 71 Ca 0.11 0.54 0.26 0.00 -1.54 0.00 0.00 55.06 54.42 1ua2 s HIS 71 Cb -0.18 0.07 1.34 0.00 0.04 0.00 0.00 32.58 33.85 1ua2 s HIS 71 CO -0.28 -0.11 1.64 -1.00 -2.34 0.00 0.00 174.74 172.66 1ua2 h PRO 72 N 5.98 0.14 -0.52 2.88 0.13 -1.98 -2.34 132.00 136.29 1ua2 h PRO 72 Ca -0.27 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 1ua2 h PRO 72 Cb 1.19 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1ua2 h PRO 72 CO 0.39 0.09 0.05 0.09 -0.23 0.00 0.00 178.00 178.39 1ua2 n ASN 73 N -4.76 5.05 -3.82 1.44 5.03 -1.26 -4.69 115.26 112.24 1ua2 n ASN 73 Ca 0.35 -3.03 -0.17 0.00 0.87 0.00 0.00 54.58 52.59 1ua2 n ASN 73 Cb 1.30 -0.66 -0.16 0.00 -1.02 0.00 0.00 39.78 39.23 1ua2 n ASN 73 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ua2 s ILE 74 N -2.85 0.21 0.12 2.41 1.01 -0.88 -1.40 121.20 119.82 1ua2 s ILE 74 Ca 0.52 0.07 -0.35 0.00 0.00 0.00 0.00 60.65 60.88 1ua2 s ILE 74 Cb 0.40 -0.30 -0.15 0.00 0.01 0.00 0.00 42.46 42.43 1ua2 s ILE 74 CO 0.13 0.15 1.52 0.00 0.00 0.00 0.00 174.94 176.75 1ua2 n ILE 75 N 4.14 0.03 -3.08 2.92 3.06 -0.12 -4.60 119.36 121.72 1ua2 n ILE 75 Ca -0.26 -0.01 -0.40 0.00 -2.50 0.00 0.00 62.75 59.58 1ua2 n ILE 75 Cb 0.50 -1.34 -0.05 0.00 0.54 0.00 0.00 39.64 39.30 1ua2 n ILE 75 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1ua2 s GLY 76 N 0.96 2.23 -0.26 4.50 0.00 -1.26 -4.91 107.32 108.58 1ua2 s GLY 76 Ca 0.81 -0.11 -0.25 0.00 0.00 0.00 0.00 44.72 45.17 1ua2 s GLY 76 CO 0.41 1.29 0.88 -2.27 0.00 0.00 0.00 173.10 173.41 1ua2 s LEU 77 N 1.56 4.07 0.00 0.66 2.96 -1.26 -2.90 118.68 123.77 1ua2 s LEU 77 Ca 0.32 1.02 0.26 0.00 -0.22 0.00 0.00 54.13 55.51 1ua2 s LEU 77 Cb -0.16 -3.26 0.59 0.00 0.50 0.00 0.00 46.19 43.86 1ua2 s LEU 77 CO 0.13 -0.60 1.48 0.18 -1.32 0.00 0.00 176.35 176.22 1ua2 n LEU 78 N 6.18 2.21 0.00 -0.68 4.77 0.23 -4.57 117.00 125.14 1ua2 n LEU 78 Ca 0.07 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1ua2 n LEU 78 Cb 0.47 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ua2 n LEU 78 CO 0.50 0.37 0.00 -0.67 -1.33 0.00 0.00 177.39 176.26 1ua2 n ASP 79 N 0.69 0.00 -3.71 -1.43 2.03 -1.25 -5.02 116.55 107.86 1ua2 n ASP 79 Ca 0.16 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.34 1ua2 n ASP 79 Cb 0.48 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.78 1ua2 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ua2 s ALA 80 N -1.65 -1.15 -0.06 -1.67 0.00 -1.26 -1.29 121.76 114.68 1ua2 s ALA 80 Ca 0.00 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.19 1ua2 s ALA 80 Cb 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1ua2 s ALA 80 CO 0.00 -0.22 0.11 -0.59 0.00 0.00 0.00 175.76 175.06 1ua2 s PHE 81 N 0.14 3.44 -0.32 0.00 -0.12 -0.99 -5.03 117.98 115.10 1ua2 s PHE 81 Ca -0.01 0.35 0.01 0.00 -0.05 0.00 0.00 56.93 57.23 1ua2 s PHE 81 Cb -0.03 -1.83 0.08 0.00 -0.63 0.00 0.00 43.02 40.60 1ua2 s PHE 81 CO 0.01 0.63 0.02 0.20 -0.05 0.00 0.00 175.22 176.02 1ua2 s GLY 82 N -1.43 1.83 -0.18 1.99 0.00 -1.26 -4.08 107.32 104.18 1ua2 s GLY 82 Ca 0.20 -2.15 -0.31 0.00 0.00 0.00 0.00 44.72 42.46 1ua2 s GLY 82 CO 0.10 0.81 1.12 -1.58 0.00 0.00 0.00 173.10 173.55 1ua2 s HIS 83 N 1.07 -0.23 0.59 1.90 5.65 -1.26 -5.08 115.29 117.92 1ua2 s HIS 83 Ca 0.01 0.34 0.30 0.00 0.25 0.00 0.00 55.06 55.96 1ua2 s HIS 83 Cb -0.20 0.48 1.80 0.00 -1.18 0.00 0.00 32.58 33.48 1ua2 s HIS 83 CO -0.05 -0.25 2.22 0.87 -0.65 0.00 0.00 174.74 176.88 1ua2 h LYS 84 N 2.27 0.00 -0.45 2.88 1.57 -2.05 -3.32 116.57 117.47 1ua2 h LYS 84 Ca -0.14 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1ua2 h LYS 84 Cb 1.18 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.39 1ua2 h LYS 84 CO 0.27 0.00 -0.45 0.66 -0.57 0.00 0.00 179.45 179.36 1ua2 h SER 85 N 0.00 -1.53 -2.57 0.86 4.64 -2.00 -3.42 113.55 109.54 1ua2 h SER 85 Ca 0.02 0.23 0.07 0.00 -0.47 0.00 0.00 61.79 61.64 1ua2 h SER 85 Cb 0.12 0.66 -0.23 0.00 -0.31 0.00 0.00 62.40 62.64 1ua2 h SER 85 CO -0.00 -0.37 0.16 0.20 -0.87 0.00 0.00 176.83 175.95 1ua2 s ASN 86 N -5.08 -0.77 0.06 4.97 0.01 -1.25 -5.13 114.94 107.74 1ua2 s ASN 86 Ca -0.14 1.20 -0.25 0.00 -0.71 0.00 0.00 52.86 52.95 1ua2 s ASN 86 Cb 0.11 1.43 -0.06 0.00 0.41 0.00 0.00 41.25 43.15 1ua2 s ASN 86 CO 0.65 -0.19 0.78 -0.63 -1.51 0.00 0.00 177.10 176.20 1ua2 s ILE 87 N 1.71 4.69 -0.10 0.60 -1.09 -1.26 -4.85 121.20 120.90 1ua2 s ILE 87 Ca -0.09 1.66 -0.01 0.00 -2.23 0.00 0.00 60.65 59.98 1ua2 s ILE 87 Cb -0.05 -4.13 0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1ua2 s ILE 87 CO -0.18 0.37 -0.01 -0.55 -1.23 0.00 0.00 174.94 173.35 1ua2 s SER 88 N -0.12 1.95 0.01 3.58 0.15 -1.26 0.14 113.70 118.15 1ua2 s SER 88 Ca 0.39 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.81 1ua2 s SER 88 Cb -0.21 -0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 63.53 1ua2 s SER 88 CO 0.24 -0.20 -0.10 -0.76 1.20 0.00 0.00 173.24 173.61 1ua2 s LEU 89 N 1.90 2.98 -0.16 3.45 1.02 -0.06 -2.35 118.68 125.47 1ua2 s LEU 89 Ca 0.04 -0.22 0.01 0.00 0.02 0.00 0.00 54.13 53.98 1ua2 s LEU 89 Cb -0.13 -1.71 0.02 0.00 0.02 0.00 0.00 46.19 44.39 1ua2 s LEU 89 CO -0.06 0.28 -0.18 0.54 0.02 0.00 0.00 176.35 176.95 1ua2 s VAL 90 N -0.95 1.85 0.32 -1.59 0.11 -0.42 0.35 120.40 120.08 1ua2 s VAL 90 Ca 0.16 -0.82 0.09 0.00 -2.93 0.00 0.00 61.98 58.49 1ua2 s VAL 90 Cb -0.11 -1.69 -0.05 0.00 -1.53 0.00 0.00 36.38 33.00 1ua2 s VAL 90 CO 0.06 0.51 -0.02 -0.36 -3.33 0.00 0.00 175.10 171.95 1ua2 s PHE 91 N 1.28 2.53 0.45 1.54 0.40 0.18 0.75 117.98 125.11 1ua2 s PHE 91 Ca 0.03 -0.39 -0.22 0.00 -0.60 0.00 0.00 56.93 55.74 1ua2 s PHE 91 Cb -0.13 -1.37 -0.08 0.00 0.51 0.00 0.00 43.02 41.94 1ua2 s PHE 91 CO -0.10 0.54 1.08 0.16 0.70 0.00 0.00 175.22 177.60 1ua2 s ASP 92 N -3.68 6.41 0.45 1.36 1.47 -1.14 -1.55 116.67 119.98 1ua2 s ASP 92 Ca 0.34 2.08 -0.11 0.00 1.18 0.00 0.00 52.55 56.04 1ua2 s ASP 92 Cb -0.02 -2.58 -0.06 0.00 -0.34 0.00 0.00 42.92 39.92 1ua2 s ASP 92 CO 0.19 -0.74 0.82 0.12 0.68 0.00 0.00 175.17 176.24 1ua2 s PHE 93 N -1.73 3.49 -0.23 2.11 5.36 -1.25 -4.49 117.98 121.23 1ua2 s PHE 93 Ca 0.63 1.08 -0.08 0.00 -0.96 0.00 0.00 56.93 57.61 1ua2 s PHE 93 Cb -0.22 -2.49 0.11 0.00 -0.34 0.00 0.00 43.02 40.08 1ua2 s PHE 93 CO 0.27 -0.21 0.50 -1.64 -1.46 0.00 0.00 175.22 172.68 1ua2 s MET 94 N -4.10 0.41 0.04 10.12 -1.94 -1.26 -4.83 119.30 117.74 1ua2 s MET 94 Ca 0.52 1.16 -0.08 0.00 -1.71 0.00 0.00 55.69 55.58 1ua2 s MET 94 Cb -0.10 0.50 -0.02 0.00 2.01 0.00 0.00 34.83 37.22 1ua2 s MET 94 CO 0.35 -0.25 1.02 0.39 -0.01 0.00 0.00 175.02 176.52 1ua2 n GLU 95 N 5.41 -0.12 0.00 2.03 -0.58 -0.61 -4.72 120.64 122.05 1ua2 n GLU 95 Ca -0.09 1.01 0.00 0.00 -0.42 0.00 0.00 57.16 57.66 1ua2 n GLU 95 Cb 0.49 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1ua2 n GLU 95 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ua2 n THR 96 N -3.55 0.00 -3.96 2.62 -2.24 -1.17 -5.03 114.28 100.94 1ua2 n THR 96 Ca 0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1ua2 n THR 96 Cb 0.07 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 1ua2 n THR 96 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ua2 n ASP 97 N 0.00 -1.26 0.19 3.42 5.68 -1.26 -0.28 116.55 123.03 1ua2 n ASP 97 Ca 0.00 -2.61 0.12 0.00 -0.50 0.00 0.00 54.79 51.81 1ua2 n ASP 97 Cb 0.00 2.31 0.25 0.00 -1.14 0.00 0.00 41.12 42.54 1ua2 n ASP 97 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1ua2 h LEU 98 N 0.00 0.00 0.72 -2.12 5.85 -0.44 -2.86 115.31 116.45 1ua2 h LEU 98 Ca -0.24 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1ua2 h LEU 98 Cb 1.03 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.07 1ua2 h LEU 98 CO 0.32 0.00 -0.34 -0.08 -0.34 0.00 0.00 178.44 178.00 1ua2 h GLU 99 N 0.00 -0.93 -0.82 1.25 4.81 -1.80 -1.53 114.58 115.56 1ua2 h GLU 99 Ca 0.00 0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.43 1ua2 h GLU 99 Cb 0.91 0.21 -0.09 0.00 0.63 0.00 0.00 28.75 30.41 1ua2 h GLU 99 CO 0.00 -0.62 0.41 -0.39 -0.73 0.00 0.00 179.01 177.68 1ua2 h VAL 100 N -1.23 0.75 0.00 0.32 -1.51 -1.83 0.93 116.25 113.68 1ua2 h VAL 100 Ca -0.10 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1ua2 h VAL 100 Cb 0.74 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 1ua2 h VAL 100 CO 0.16 0.11 0.00 -0.38 -1.23 0.00 0.00 177.57 176.23 1ua2 n ILE 101 N -4.88 0.00 -0.17 7.19 5.41 -1.09 -3.20 119.36 122.62 1ua2 n ILE 101 Ca 0.16 1.39 -0.07 0.00 1.00 0.00 0.00 62.75 65.22 1ua2 n ILE 101 Cb 0.40 -2.29 0.02 0.00 -0.71 0.00 0.00 39.64 37.06 1ua2 n ILE 101 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 176.55 176.71 1ua2 h ILE 102 N 0.00 1.15 -3.79 1.39 3.07 -0.92 -3.10 117.51 115.31 1ua2 h ILE 102 Ca 0.00 -0.33 -0.47 0.00 1.55 0.00 0.00 64.86 65.61 1ua2 h ILE 102 Cb 0.00 0.45 0.18 0.00 -0.27 0.00 0.00 36.82 37.18 1ua2 h ILE 102 CO 0.00 0.15 0.15 -0.75 -1.05 0.00 0.00 178.15 176.66 1ua2 s LYS 103 N -6.02 0.31 0.00 0.16 2.20 0.32 -4.31 119.74 112.40 1ua2 s LYS 103 Ca -0.13 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 1ua2 s LYS 103 Cb 0.12 -1.69 0.00 0.00 -1.51 0.00 0.00 37.83 34.75 1ua2 s LYS 103 CO 0.75 -2.91 0.00 -0.25 -0.36 0.00 0.00 175.35 172.58 1ua2 n ASP 104 N -4.35 0.00 -4.56 1.43 8.00 -1.26 -4.59 116.55 111.21 1ua2 n ASP 104 Ca 0.06 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.13 1ua2 n ASP 104 Cb 0.55 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1ua2 n ASP 104 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ua2 s ASN 105 N 0.00 6.83 0.31 -2.24 3.84 -1.17 -4.68 114.94 117.84 1ua2 s ASN 105 Ca 0.00 -2.42 0.10 0.00 0.21 0.00 0.00 52.86 50.75 1ua2 s ASN 105 Cb 0.00 -2.55 0.51 0.00 -0.55 0.00 0.00 41.25 38.65 1ua2 s ASN 105 CO 0.00 -1.15 1.71 0.28 -2.79 0.00 0.00 177.10 175.15 1ua2 h SER 106 N 7.75 0.08 0.05 -4.21 0.02 -1.86 -2.55 113.55 112.84 1ua2 h SER 106 Ca 0.41 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1ua2 h SER 106 Cb 0.89 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1ua2 h SER 106 CO 1.43 0.55 0.00 -0.11 -1.14 0.00 0.00 176.83 177.55 1ua2 n LEU 107 N -3.97 0.32 -3.98 5.07 7.94 -1.26 -4.46 117.00 116.66 1ua2 n LEU 107 Ca -0.02 0.65 -0.31 0.00 -1.11 0.00 0.00 56.01 55.22 1ua2 n LEU 107 Cb 0.50 -0.68 -0.15 0.00 0.53 0.00 0.00 43.42 43.63 1ua2 n LEU 107 CO 0.41 -0.73 -0.33 -0.69 -1.11 0.00 0.00 177.39 174.94 1ua2 s VAL 108 N -3.30 2.11 -0.14 1.96 1.01 -0.96 -5.07 120.40 116.00 1ua2 s VAL 108 Ca -0.01 -2.26 -0.21 0.00 0.00 0.00 0.00 61.98 59.50 1ua2 s VAL 108 Cb 0.04 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1ua2 s VAL 108 CO 0.13 -0.62 0.62 -0.22 0.00 0.00 0.00 175.10 175.02 1ua2 s LEU 109 N 0.95 4.22 -0.41 3.92 2.96 -1.26 -4.94 118.68 124.13 1ua2 s LEU 109 Ca 0.11 0.94 -0.06 0.00 -0.22 0.00 0.00 54.13 54.90 1ua2 s LEU 109 Cb -0.19 -2.91 0.09 0.00 0.50 0.00 0.00 46.19 43.68 1ua2 s LEU 109 CO -0.10 -0.17 0.22 -0.89 -1.32 0.00 0.00 176.35 174.09 1ua2 s THR 110 N 1.32 3.78 -0.93 3.68 2.01 -1.26 -5.01 115.64 119.22 1ua2 s THR 110 Ca 0.31 -1.65 -0.04 0.00 0.31 0.00 0.00 61.69 60.62 1ua2 s THR 110 Cb -0.16 -3.40 0.23 0.00 0.01 0.00 0.00 72.50 69.18 1ua2 s THR 110 CO 0.13 -0.55 0.84 -2.16 -0.69 0.00 0.00 174.62 172.19 1ua2 s PRO 111 N 1.31 3.48 -2.00 4.92 0.04 -1.26 -4.67 135.00 136.82 1ua2 s PRO 111 Ca 0.04 -3.16 0.00 0.00 0.04 0.00 0.00 61.00 57.92 1ua2 s PRO 111 Cb -0.23 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1ua2 s PRO 111 CO -0.01 -1.25 0.00 0.43 0.04 0.00 0.00 177.00 176.21 1ua2 n SER 112 N 2.61 -5.13 -0.18 6.66 7.64 -1.26 -4.77 113.62 119.19 1ua2 n SER 112 Ca 0.21 0.43 -0.09 0.00 1.01 0.00 0.00 58.87 60.42 1ua2 n SER 112 Cb 0.38 -4.53 0.01 0.00 -1.01 0.00 0.00 64.21 59.06 1ua2 n SER 112 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1ua2 h HIS 113 N 0.00 0.88 -0.26 1.43 3.86 -1.90 -2.64 115.15 116.51 1ua2 h HIS 113 Ca -0.40 -0.11 0.02 0.00 -1.16 0.00 0.00 60.37 58.73 1ua2 h HIS 113 Cb 1.27 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.46 1ua2 h HIS 113 CO 0.55 0.77 -0.15 -0.89 0.86 0.00 0.00 177.93 179.07 1ua2 n ILE 114 N -4.43 -0.18 -0.14 2.45 5.41 -1.26 0.12 119.36 121.33 1ua2 n ILE 114 Ca 0.02 0.70 0.22 0.00 1.00 0.00 0.00 62.75 64.68 1ua2 n ILE 114 Cb 0.23 -0.87 0.63 0.00 -0.71 0.00 0.00 39.64 38.92 1ua2 n ILE 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1ua2 h LYS 115 N 0.00 0.16 0.37 0.38 3.64 -1.83 0.12 116.57 119.41 1ua2 h LYS 115 Ca 0.04 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1ua2 h LYS 115 Cb 0.11 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1ua2 h LYS 115 CO -0.25 0.10 -0.18 0.00 -2.27 0.00 0.00 179.45 176.86 1ua2 h ALA 116 N 1.63 -0.50 -0.42 5.00 0.00 0.86 -2.77 119.26 123.08 1ua2 h ALA 116 Ca 0.38 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1ua2 h ALA 116 Cb 1.24 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 19.13 1ua2 h ALA 116 CO -0.06 -0.55 -0.38 1.88 0.00 0.00 0.00 179.25 180.14 1ua2 h TYR 117 N -0.96 -1.08 -0.08 0.00 -1.99 0.89 -1.52 116.97 112.24 1ua2 h TYR 117 Ca -0.05 0.06 0.04 0.00 2.00 0.00 0.00 58.73 60.78 1ua2 h TYR 117 Cb 0.53 0.53 -0.06 0.00 2.00 0.00 0.00 36.73 39.74 1ua2 h TYR 117 CO 0.03 -0.41 -0.31 0.52 -0.00 0.00 0.00 178.16 177.98 1ua2 h MET 118 N -0.29 -0.40 -0.96 4.88 2.86 -1.02 -1.13 114.93 118.87 1ua2 h MET 118 Ca 0.16 0.03 0.28 0.00 -2.06 0.00 0.00 59.70 58.11 1ua2 h MET 118 Cb 0.57 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.28 1ua2 h MET 118 CO -0.57 -0.27 0.76 1.25 1.06 0.00 0.00 176.91 179.15 1ua2 h LEU 119 N -0.42 0.00 0.07 1.22 5.85 -0.98 0.12 115.31 121.17 1ua2 h LEU 119 Ca 0.08 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.45 1ua2 h LEU 119 Cb 0.54 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1ua2 h LEU 119 CO -0.31 0.00 -2.04 0.23 -0.34 0.00 0.00 178.44 175.98 1ua2 n MET 120 N -4.03 0.71 -0.03 1.25 2.81 -0.86 -2.92 117.12 114.05 1ua2 n MET 120 Ca 0.20 0.23 0.09 0.00 -1.81 0.00 0.00 57.70 56.41 1ua2 n MET 120 Cb 1.09 -1.68 0.48 0.00 -0.71 0.00 0.00 33.22 32.40 1ua2 n MET 120 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1ua2 h THR 121 N 0.04 0.98 0.25 2.03 2.02 0.16 -0.27 112.91 118.12 1ua2 h THR 121 Ca -0.43 -0.15 -0.34 0.00 0.77 0.00 0.00 66.41 66.26 1ua2 h THR 121 Cb 2.02 0.51 0.04 0.00 -1.74 0.00 0.00 68.15 68.98 1ua2 h THR 121 CO 0.05 0.08 -1.52 -0.07 0.37 0.00 0.00 175.52 174.43 1ua2 h LEU 122 N 0.43 0.82 -1.13 2.58 3.38 -1.17 -0.19 115.31 120.04 1ua2 h LEU 122 Ca 0.21 -0.92 -0.04 0.00 0.09 0.00 0.00 57.88 57.22 1ua2 h LEU 122 Cb 0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1ua2 h LEU 122 CO -0.05 1.73 0.12 1.56 0.09 0.00 0.00 178.44 181.89 1ua2 h GLN 123 N 0.14 0.74 0.43 1.13 4.20 -1.40 0.31 115.11 120.67 1ua2 h GLN 123 Ca -0.27 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 1ua2 h GLN 123 Cb 2.17 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.82 1ua2 h GLN 123 CO 0.26 0.67 -0.34 0.78 -0.67 0.00 0.00 178.83 179.53 1ua2 h GLY 124 N 0.91 -1.06 0.23 3.46 0.00 -0.95 -2.42 103.07 103.24 1ua2 h GLY 124 Ca 0.16 0.46 0.07 0.00 0.00 0.00 0.00 47.33 48.02 1ua2 h GLY 124 CO -0.00 -0.34 -0.16 1.41 0.00 0.00 0.00 176.54 177.44 1ua2 h LEU 125 N -0.75 -0.54 -1.10 3.11 3.38 -0.85 -1.66 115.31 116.89 1ua2 h LEU 125 Ca -0.06 0.12 0.29 0.00 0.09 0.00 0.00 57.88 58.32 1ua2 h LEU 125 Cb 0.63 0.29 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 1ua2 h LEU 125 CO 0.01 -0.20 0.62 -0.08 0.09 0.00 0.00 178.44 178.88 1ua2 h GLU 126 N -0.13 0.41 0.33 1.13 4.81 -0.34 0.32 114.58 121.11 1ua2 h GLU 126 Ca 0.15 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1ua2 h GLU 126 Cb 0.36 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1ua2 h GLU 126 CO -0.37 0.27 -0.16 -0.92 -0.73 0.00 0.00 179.01 177.11 1ua2 h TYR 127 N 0.43 -0.41 -0.96 0.92 3.20 -0.80 -1.20 116.97 118.15 1ua2 h TYR 127 Ca 0.68 -0.01 0.31 0.00 3.14 0.00 0.00 58.73 62.85 1ua2 h TYR 127 Cb 1.52 0.14 -0.16 0.00 1.54 0.00 0.00 36.73 39.77 1ua2 h TYR 127 CO -0.01 -0.25 0.35 -0.07 -1.64 0.00 0.00 178.16 176.54 1ua2 h LEU 128 N -0.66 0.11 0.51 2.82 3.38 -0.71 0.23 115.31 120.99 1ua2 h LEU 128 Ca -0.05 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1ua2 h LEU 128 Cb 0.34 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1ua2 h LEU 128 CO 0.07 -0.26 -0.24 0.45 0.09 0.00 0.00 178.44 178.56 1ua2 h HIS 129 N 0.15 -0.63 -1.50 1.13 3.86 -0.42 0.18 115.15 117.92 1ua2 h HIS 129 Ca 0.68 -0.01 0.48 0.00 -1.16 0.00 0.00 60.37 60.35 1ua2 h HIS 129 Cb 1.54 0.21 -0.12 0.00 1.06 0.00 0.00 27.41 30.11 1ua2 h HIS 129 CO -0.19 -0.31 1.00 1.96 0.86 0.00 0.00 177.93 181.25 1ua2 h GLN 130 N -1.05 0.04 -0.73 2.45 4.20 -0.34 1.03 115.11 120.70 1ua2 h GLN 130 Ca -0.07 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1ua2 h GLN 130 Cb 0.60 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1ua2 h GLN 130 CO 0.11 0.02 0.05 0.72 -0.67 0.00 0.00 178.83 179.06 1ua2 n HIS 131 N -4.50 1.55 -1.96 2.96 8.25 -0.01 -4.91 115.22 116.60 1ua2 n HIS 131 Ca 0.40 -0.60 -0.21 0.00 -0.26 0.00 0.00 57.72 57.04 1ua2 n HIS 131 Cb 1.61 -0.43 -0.05 0.00 1.12 0.00 0.00 29.99 32.24 1ua2 n HIS 131 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1ua2 n TRP 132 N 0.33 -0.44 -4.17 4.41 7.02 0.35 -4.96 117.44 119.99 1ua2 n TRP 132 Ca 0.22 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.35 1ua2 n TRP 132 Cb 0.96 -3.68 -0.13 0.00 -2.42 0.00 0.00 31.31 26.04 1ua2 n TRP 132 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1ua2 s ILE 133 N -2.89 3.56 -0.16 -0.99 1.01 0.57 -5.00 121.20 117.30 1ua2 s ILE 133 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 1ua2 s ILE 133 Cb 0.00 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 1ua2 s ILE 133 CO 0.00 0.45 0.23 -1.48 0.00 0.00 0.00 174.94 174.14 1ua2 s LEU 134 N 1.01 4.26 -0.90 2.97 2.34 -1.26 -3.35 118.68 123.74 1ua2 s LEU 134 Ca 0.00 0.44 -0.24 0.00 0.06 0.00 0.00 54.13 54.39 1ua2 s LEU 134 Cb -0.15 -2.26 0.05 0.00 -0.56 0.00 0.00 46.19 43.27 1ua2 s LEU 134 CO 0.01 0.17 1.36 -2.28 -1.06 0.00 0.00 176.35 174.55 1ua2 s HIS 135 N 0.18 2.45 -1.40 3.48 5.65 -1.26 -4.92 115.29 119.47 1ua2 s HIS 135 Ca 0.14 -0.55 0.18 0.00 0.25 0.00 0.00 55.06 55.08 1ua2 s HIS 135 Cb -0.12 -4.65 0.89 0.00 -1.18 0.00 0.00 32.58 27.51 1ua2 s HIS 135 CO 0.02 -1.97 1.53 0.54 -0.65 0.00 0.00 174.74 174.21 1ua2 n ARG 136 N 8.98 0.24 -3.18 2.88 1.74 -1.26 -3.81 116.66 122.26 1ua2 n ARG 136 Ca 0.20 0.12 -0.21 0.00 -0.77 0.00 0.00 57.85 57.20 1ua2 n ARG 136 Cb 0.50 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 1ua2 n ARG 136 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ua2 n ASP 137 N -1.30 1.11 -4.67 0.55 5.75 -1.26 -4.99 116.55 111.73 1ua2 n ASP 137 Ca 0.08 -3.01 -0.42 0.00 -0.01 0.00 0.00 54.79 51.43 1ua2 n ASP 137 Cb 0.15 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.59 1ua2 n ASP 137 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1ua2 s LEU 138 N -2.21 4.38 0.00 -2.12 1.43 -1.25 -4.78 118.68 114.14 1ua2 s LEU 138 Ca 0.40 2.49 0.02 0.00 -1.03 0.00 0.00 54.13 56.01 1ua2 s LEU 138 Cb 0.29 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 1ua2 s LEU 138 CO -0.09 -0.96 0.28 2.29 0.23 0.00 0.00 176.35 178.10 1ua2 n LYS 139 N 6.71 0.41 -0.04 1.70 2.85 -1.26 -4.87 118.16 123.66 1ua2 n LYS 139 Ca 0.18 -2.23 -0.14 0.00 -1.05 0.00 0.00 58.31 55.07 1ua2 n LYS 139 Cb 0.41 1.98 -0.08 0.00 -0.65 0.00 0.00 35.03 36.68 1ua2 n LYS 139 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 1ua2 h PRO 140 N 0.00 0.37 -0.67 -1.58 0.11 -1.94 -2.94 132.00 125.36 1ua2 h PRO 140 Ca -0.18 -0.26 0.15 0.00 0.11 0.00 0.00 66.00 65.81 1ua2 h PRO 140 Cb 0.87 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 31.89 1ua2 h PRO 140 CO 0.26 0.88 -0.11 -1.71 -0.21 0.00 0.00 178.00 177.10 1ua2 n ASN 141 N -4.44 -0.19 -0.44 -2.05 5.15 -1.26 0.22 115.26 112.25 1ua2 n ASN 141 Ca -0.07 1.15 0.06 0.00 -0.60 0.00 0.00 54.58 55.12 1ua2 n ASN 141 Cb 0.47 -0.37 0.20 0.00 -0.53 0.00 0.00 39.78 39.55 1ua2 n ASN 141 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1ua2 n ASN 142 N -5.04 1.29 -4.34 1.20 3.02 -1.12 -4.55 115.26 105.72 1ua2 n ASN 142 Ca 0.12 -1.89 -0.46 0.00 -0.03 0.00 0.00 54.58 52.32 1ua2 n ASN 142 Cb 0.39 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 1ua2 n ASN 142 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ua2 s LEU 143 N -1.16 6.39 0.47 3.41 1.43 0.13 -0.62 118.68 128.73 1ua2 s LEU 143 Ca 0.21 -2.39 -0.16 0.00 -1.03 0.00 0.00 54.13 50.75 1ua2 s LEU 143 Cb 0.11 -2.24 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 1ua2 s LEU 143 CO 0.15 -0.71 0.92 -0.76 0.23 0.00 0.00 176.35 176.18 1ua2 s LEU 144 N 0.84 3.75 -0.04 1.79 1.02 -0.32 0.03 118.68 125.75 1ua2 s LEU 144 Ca 0.17 1.49 -0.01 0.00 0.02 0.00 0.00 54.13 55.80 1ua2 s LEU 144 Cb -0.14 -4.39 0.03 0.00 0.02 0.00 0.00 46.19 41.71 1ua2 s LEU 144 CO -0.06 -0.49 0.08 -0.76 0.02 0.00 0.00 176.35 175.14 1ua2 s LEU 145 N -3.80 0.93 0.00 1.79 1.43 0.61 -1.39 118.68 118.25 1ua2 s LEU 145 Ca 0.58 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.82 1ua2 s LEU 145 Cb -0.10 0.12 0.08 0.00 0.03 0.00 0.00 46.19 46.33 1ua2 s LEU 145 CO 0.27 -0.14 0.56 -0.90 0.23 0.00 0.00 176.35 176.37 1ua2 n ASP 146 N 4.18 0.65 0.28 2.29 5.68 -1.08 -1.57 116.55 126.97 1ua2 n ASP 146 Ca -0.27 -1.57 0.17 0.00 -0.50 0.00 0.00 54.79 52.62 1ua2 n ASP 146 Cb 0.51 -0.37 0.94 0.00 -1.14 0.00 0.00 41.12 41.06 1ua2 n ASP 146 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ua2 h GLU 147 N 0.00 0.00 -0.20 0.11 3.07 -1.91 -2.11 114.58 113.55 1ua2 h GLU 147 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1ua2 h GLU 147 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1ua2 h GLU 147 CO 0.19 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.89 1ua2 n ASN 148 N -3.60 3.01 -3.58 1.42 3.02 -1.26 -4.87 115.26 109.40 1ua2 n ASN 148 Ca -0.01 -1.90 -0.25 0.00 -0.03 0.00 0.00 54.58 52.38 1ua2 n ASN 148 Cb 0.19 -0.12 0.05 0.00 -0.61 0.00 0.00 39.78 39.29 1ua2 n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ua2 n GLY 149 N 1.23 -0.53 3.62 7.41 0.00 -0.79 -1.00 105.19 115.13 1ua2 n GLY 149 Ca 0.15 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 1ua2 n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ua2 s VAL 150 N -3.28 4.98 -0.17 1.61 1.01 -1.26 -4.61 120.40 118.68 1ua2 s VAL 150 Ca 0.56 1.09 -0.12 0.00 0.00 0.00 0.00 61.98 63.50 1ua2 s VAL 150 Cb -0.26 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1ua2 s VAL 150 CO 0.69 -0.00 0.24 -0.22 0.00 0.00 0.00 175.10 175.81 1ua2 s LEU 151 N 2.52 4.24 0.11 3.92 2.96 -1.26 -2.65 118.68 128.52 1ua2 s LEU 151 Ca 0.26 0.42 0.10 0.00 -0.22 0.00 0.00 54.13 54.68 1ua2 s LEU 151 Cb -0.15 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 1ua2 s LEU 151 CO 0.09 0.13 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.47 1ua2 s LYS 152 N 0.38 1.30 0.22 1.98 1.02 -0.49 -4.45 119.74 119.71 1ua2 s LYS 152 Ca 0.14 -1.24 -0.24 0.00 0.02 0.00 0.00 55.97 54.65 1ua2 s LYS 152 Cb -0.12 -1.67 -0.09 0.00 -0.52 0.00 0.00 37.83 35.43 1ua2 s LYS 152 CO 0.02 0.40 0.81 -0.51 -0.92 0.00 0.00 175.35 175.14 1ua2 s LEU 153 N -1.91 4.47 1.31 3.17 1.43 -0.49 -1.17 118.68 125.48 1ua2 s LEU 153 Ca 0.10 1.64 -0.21 0.00 -1.03 0.00 0.00 54.13 54.63 1ua2 s LEU 153 Cb -0.10 -3.56 0.33 0.00 0.03 0.00 0.00 46.19 42.89 1ua2 s LEU 153 CO 0.05 0.09 1.03 0.00 0.23 0.00 0.00 176.35 177.75 1ua2 s ALA 154 N -1.37 0.01 0.12 4.21 0.00 0.21 -0.94 121.76 124.00 1ua2 s ALA 154 Ca 0.41 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 51.15 1ua2 s ALA 154 Cb -0.20 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1ua2 s ALA 154 CO 0.24 -4.07 1.53 0.16 0.00 0.00 0.00 175.76 173.63 1ua2 s ASP 155 N -3.59 6.67 -0.22 0.00 -4.77 -1.26 -4.73 116.67 108.76 1ua2 s ASP 155 Ca 0.70 2.48 -0.18 0.00 -3.30 0.00 0.00 52.55 52.25 1ua2 s ASP 155 Cb -0.11 -2.58 -0.20 0.00 -1.09 0.00 0.00 42.92 38.94 1ua2 s ASP 155 CO 0.57 -0.79 1.53 2.22 0.70 0.00 0.00 175.17 179.40 1ua2 n PHE 156 N 4.41 0.45 0.00 2.11 1.16 -1.26 -4.77 117.46 119.56 1ua2 n PHE 156 Ca 0.14 -0.86 0.00 0.00 -1.87 0.00 0.00 57.45 54.85 1ua2 n PHE 156 Cb 0.40 -0.96 0.00 0.00 -1.61 0.00 0.00 39.48 37.31 1ua2 n PHE 156 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ua2 n GLY 157 N 4.52 0.56 0.00 4.97 0.00 -1.26 -3.11 105.19 110.87 1ua2 n GLY 157 Ca 0.34 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1ua2 n GLY 157 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ua2 n LEU 158 N 0.00 0.00 0.17 0.99 -0.00 -1.26 0.26 117.00 117.16 1ua2 n LEU 158 Ca 0.00 0.32 0.13 0.00 -0.00 0.00 0.00 56.01 56.45 1ua2 n LEU 158 Cb 0.00 -0.32 0.59 0.00 -0.00 0.00 0.00 43.42 43.70 1ua2 n LEU 158 CO 0.00 -0.32 0.88 0.00 -0.00 0.00 0.00 177.39 177.95 1ua2 h ALA 159 N 1.91 1.00 -3.00 1.47 0.00 -1.86 -3.11 119.26 115.68 1ua2 h ALA 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ua2 h ALA 159 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ua2 h ALA 159 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1ua2 n LYS 160 N -2.37 0.00 0.00 0.00 4.76 0.73 -4.75 118.16 116.53 1ua2 n LYS 160 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ua2 n LYS 160 Cb 0.15 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.34 1ua2 n LYS 160 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1ua2 n SER 161 N 0.00 0.00 0.17 4.39 3.41 -0.90 -1.24 113.62 119.45 1ua2 n SER 161 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1ua2 n SER 161 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1ua2 n SER 161 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1ua2 h PHE 162 N 0.00 -0.76 -0.96 7.33 0.04 -1.85 -3.27 116.94 117.48 1ua2 h PHE 162 Ca 0.00 0.01 0.29 0.00 2.80 0.00 0.00 57.97 61.07 1ua2 h PHE 162 Cb 0.00 0.30 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 1ua2 h PHE 162 CO 0.00 -0.40 0.67 0.41 -0.60 0.00 0.00 178.31 178.39 1ua2 n GLY 163 N -1.40 -0.51 3.68 -1.45 0.00 -0.38 -4.39 105.19 100.76 1ua2 n GLY 163 Ca -0.08 0.38 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 1ua2 n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ua2 s SER 164 N -4.09 3.80 0.00 1.61 0.01 -1.22 -4.46 113.70 109.35 1ua2 s SER 164 Ca -0.03 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 55.64 1ua2 s SER 164 Cb 0.15 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1ua2 s SER 164 CO 0.47 -0.78 0.00 -2.65 0.41 0.00 0.00 173.24 170.69 1ua2 n PRO 165 N -1.13 0.00 -1.83 12.44 -0.02 -1.26 -4.97 135.00 138.23 1ua2 n PRO 165 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1ua2 n PRO 165 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.15 1ua2 n PRO 165 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ua2 n ASN 166 N 0.00 -6.90 -3.77 2.55 3.02 -1.26 -4.91 115.26 103.99 1ua2 n ASN 166 Ca 0.00 1.29 -0.28 0.00 -0.03 0.00 0.00 54.58 55.56 1ua2 n ASN 166 Cb 0.00 -4.20 -0.16 0.00 -0.61 0.00 0.00 39.78 34.81 1ua2 n ASN 166 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1ua2 s ARG 167 N -1.62 0.81 -0.50 3.52 3.52 -1.26 -4.68 118.95 118.74 1ua2 s ARG 167 Ca 0.00 -0.60 -0.04 0.00 -0.13 0.00 0.00 55.73 54.96 1ua2 s ARG 167 Cb 0.00 -2.16 0.10 0.00 -1.56 0.00 0.00 34.95 31.33 1ua2 s ARG 167 CO 0.00 -0.68 2.66 0.00 -0.81 0.00 0.00 175.30 176.47 1ua2 n ALA 168 N 4.96 6.44 0.00 6.12 0.00 -0.34 -4.98 120.51 132.72 1ua2 n ALA 168 Ca -0.09 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.19 1ua2 n ALA 168 Cb 0.46 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1ua2 n ALA 168 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ua2 n TYR 169 N 0.68 0.00 -2.90 0.00 -0.00 -1.26 -4.66 117.16 109.01 1ua2 n TYR 169 Ca 0.49 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 58.26 1ua2 n TYR 169 Cb 0.51 0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.87 1ua2 n TYR 169 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 1ua2 n HIS 171 N 0.14 0.06 -3.83 -3.48 -0.00 -1.26 -5.05 115.22 101.80 1ua2 n HIS 171 Ca 0.00 -3.12 -0.09 0.00 -0.00 0.00 0.00 57.72 54.51 1ua2 n HIS 171 Cb 0.00 -0.05 -0.06 0.00 -0.00 0.00 0.00 29.99 29.87 1ua2 n HIS 171 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1ua2 s GLN 172 N -2.24 1.03 0.09 1.57 -1.52 -1.26 -5.15 119.66 112.18 1ua2 s GLN 172 Ca 0.32 -0.96 -0.31 0.00 -1.95 0.00 0.00 55.36 52.46 1ua2 s GLN 172 Cb 0.39 0.40 -0.07 0.00 -0.22 0.00 0.00 33.01 33.51 1ua2 s GLN 172 CO -0.03 -0.37 1.33 0.14 -0.25 0.00 0.00 175.29 176.11 1ua2 s VAL 173 N -3.88 3.53 0.59 1.09 -7.23 -1.26 -5.05 120.40 108.20 1ua2 s VAL 173 Ca 0.08 1.09 -0.17 0.00 -1.81 0.00 0.00 61.98 61.18 1ua2 s VAL 173 Cb 0.03 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.24 1ua2 s VAL 173 CO -0.07 0.08 1.10 -0.69 -0.31 0.00 0.00 175.10 175.21 1ua2 s VAL 174 N 1.15 3.38 -0.12 1.32 1.01 -1.26 -5.09 120.40 120.79 1ua2 s VAL 174 Ca 0.63 0.73 -0.07 0.00 0.00 0.00 0.00 61.98 63.27 1ua2 s VAL 174 Cb -0.34 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 32.84 1ua2 s VAL 174 CO 0.30 -0.31 0.29 0.42 0.00 0.00 0.00 175.10 175.80 1ua2 s THR 175 N -2.14 -0.03 -0.09 3.92 -4.23 -1.26 -4.96 115.64 106.84 1ua2 s THR 175 Ca 0.68 0.12 0.13 0.00 -1.18 0.00 0.00 61.69 61.45 1ua2 s THR 175 Cb -0.20 -0.44 0.25 0.00 1.34 0.00 0.00 72.50 73.45 1ua2 s THR 175 CO 0.34 0.05 1.12 -2.11 -0.54 0.00 0.00 174.62 173.48 1ua2 n ARG 176 N 4.15 0.82 -0.15 3.99 1.85 -1.26 -4.78 116.66 121.28 1ua2 n ARG 176 Ca -0.24 -2.20 0.05 0.00 -1.00 0.00 0.00 57.85 54.46 1ua2 n ARG 176 Cb 0.54 -1.05 0.15 0.00 -1.05 0.00 0.00 32.46 31.05 1ua2 n ARG 176 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 1ua2 n TRP 177 N -0.73 0.39 -0.19 2.89 8.01 -1.26 -2.96 117.44 123.59 1ua2 n TRP 177 Ca 0.11 -0.19 0.00 0.00 -1.31 0.00 0.00 57.50 56.10 1ua2 n TRP 177 Cb 0.73 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.03 1ua2 n TRP 177 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1ua2 n TYR 178 N 0.37 0.00 -1.67 -5.99 4.02 -1.26 -4.39 117.16 108.24 1ua2 n TYR 178 Ca 0.11 0.00 -0.48 0.00 -0.01 0.00 0.00 57.90 57.52 1ua2 n TYR 178 Cb 0.26 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.53 1ua2 n TYR 178 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1ua2 n ARG 179 N -0.03 2.19 -2.12 -0.72 3.00 -1.16 -3.82 116.66 114.02 1ua2 n ARG 179 Ca 0.00 0.80 -0.37 0.00 -0.00 0.00 0.00 57.85 58.27 1ua2 n ARG 179 Cb 0.05 -2.68 0.01 0.00 0.00 0.00 0.00 32.46 29.83 1ua2 n ARG 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ua2 s ALA 180 N 4.34 2.93 0.26 5.13 0.00 -1.26 -4.80 121.76 128.36 1ua2 s ALA 180 Ca 0.93 1.05 -0.05 0.00 0.00 0.00 0.00 51.96 53.90 1ua2 s ALA 180 Cb -0.67 -3.44 0.31 0.00 0.00 0.00 0.00 23.12 19.32 1ua2 s ALA 180 CO 0.51 -0.87 1.92 -1.00 0.00 0.00 0.00 175.76 176.31 1ua2 h PRO 181 N 1.88 1.21 -0.95 0.00 0.13 -1.93 0.19 132.00 132.52 1ua2 h PRO 181 Ca -0.50 -0.10 0.17 0.00 -0.87 0.00 0.00 66.00 64.71 1ua2 h PRO 181 Cb 1.26 -0.26 -0.08 0.00 0.13 0.00 0.00 31.00 32.05 1ua2 h PRO 181 CO 0.59 0.84 0.60 1.05 -0.23 0.00 0.00 178.00 180.85 1ua2 h GLU 182 N 1.23 0.65 0.47 0.86 9.09 -1.92 -0.73 114.58 124.24 1ua2 h GLU 182 Ca 0.32 -0.04 -0.02 0.00 0.05 0.00 0.00 59.36 59.67 1ua2 h GLU 182 Cb -0.07 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 26.89 1ua2 h GLU 182 CO -0.06 0.43 -0.22 -0.07 0.05 0.00 0.00 179.01 179.13 1ua2 h LEU 183 N 0.67 -0.53 -1.84 3.06 3.38 -0.95 -1.52 115.31 117.58 1ua2 h LEU 183 Ca 0.50 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.51 1ua2 h LEU 183 Cb 0.89 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1ua2 h LEU 183 CO -0.26 -0.19 0.53 -0.07 0.09 0.00 0.00 178.44 178.54 1ua2 h LEU 184 N -0.91 0.00 -2.56 1.67 3.38 -0.90 0.76 115.31 116.76 1ua2 h LEU 184 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ua2 h LEU 184 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1ua2 h LEU 184 CO 0.10 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.12 1ua2 n PHE 185 N -3.53 1.24 -1.47 1.13 0.99 -0.34 -4.89 117.46 110.60 1ua2 n PHE 185 Ca 0.08 -0.47 -0.10 0.00 -0.00 0.00 0.00 57.45 56.96 1ua2 n PHE 185 Cb 0.70 -0.26 -0.03 0.00 -1.00 0.00 0.00 39.48 38.88 1ua2 n PHE 185 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ua2 n GLY 186 N 0.77 0.90 3.68 1.37 0.00 0.27 -0.52 105.19 111.66 1ua2 n GLY 186 Ca 0.19 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 1ua2 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ua2 n ALA 187 N 0.65 1.48 -0.43 4.61 0.00 -0.59 -4.50 120.51 121.74 1ua2 n ALA 187 Ca -0.10 0.33 0.07 0.00 0.00 0.00 0.00 53.44 53.74 1ua2 n ALA 187 Cb 0.38 -2.51 0.33 0.00 0.00 0.00 0.00 19.45 17.64 1ua2 n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ua2 n ARG 188 N 5.62 3.74 -3.68 0.00 5.12 -1.26 -4.77 116.66 121.44 1ua2 n ARG 188 Ca 0.20 -2.56 -0.10 0.00 -1.93 0.00 0.00 57.85 53.46 1ua2 n ARG 188 Cb 0.33 -1.95 -0.10 0.00 -1.16 0.00 0.00 32.46 29.58 1ua2 n ARG 188 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ua2 s MET 189 N -2.07 0.37 0.32 5.56 0.23 -1.26 -5.16 119.30 117.28 1ua2 s MET 189 Ca 0.45 0.90 -0.17 0.00 -1.03 0.00 0.00 55.69 55.84 1ua2 s MET 189 Cb 0.31 0.12 0.03 0.00 -1.53 0.00 0.00 34.83 33.76 1ua2 s MET 189 CO 0.18 -0.20 0.70 1.52 -2.03 0.00 0.00 175.02 175.19 1ua2 s TYR 190 N 1.90 0.07 0.00 3.16 -0.85 -1.26 -5.06 117.35 115.31 1ua2 s TYR 190 Ca -0.06 -0.58 0.00 0.00 -0.52 0.00 0.00 57.07 55.91 1ua2 s TYR 190 Cb -0.10 0.63 0.00 0.00 0.38 0.00 0.00 41.96 42.88 1ua2 s TYR 190 CO -0.13 -1.32 0.00 0.41 -1.52 0.00 0.00 175.55 173.00 1ua2 n GLY 191 N -0.48 4.00 0.46 5.49 0.00 -1.26 -5.03 105.19 108.37 1ua2 n GLY 191 Ca -0.05 -0.74 0.29 0.00 0.00 0.00 0.00 46.02 45.52 1ua2 n GLY 191 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ua2 h VAL 192 N 0.00 0.39 -0.95 1.61 -1.51 -1.98 -2.11 116.25 111.70 1ua2 h VAL 192 Ca 0.00 -0.08 0.17 0.00 -1.23 0.00 0.00 66.70 65.57 1ua2 h VAL 192 Cb 0.00 0.15 -0.08 0.00 -2.13 0.00 0.00 31.29 29.22 1ua2 h VAL 192 CO 0.00 0.04 0.60 1.23 -1.23 0.00 0.00 177.57 178.22 1ua2 h GLY 193 N 0.23 1.38 0.07 5.19 0.00 -1.92 0.32 103.07 108.33 1ua2 h GLY 193 Ca 0.65 -0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.73 1ua2 h GLY 193 CO -0.25 0.02 -0.31 -2.08 0.00 0.00 0.00 176.54 173.91 1ua2 h VAL 194 N 0.68 0.28 -0.31 4.60 2.07 -1.72 0.63 116.25 122.48 1ua2 h VAL 194 Ca 0.51 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.95 1ua2 h VAL 194 Cb 0.89 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1ua2 h VAL 194 CO -0.27 0.00 -0.12 0.44 0.02 0.00 0.00 177.57 177.64 1ua2 h ASP 195 N -0.34 0.52 -0.17 0.57 3.32 -0.56 -2.99 116.42 116.77 1ua2 h ASP 195 Ca 0.12 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1ua2 h ASP 195 Cb 0.53 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1ua2 h ASP 195 CO -0.41 0.68 -0.14 0.24 -1.72 0.00 0.00 179.24 177.89 1ua2 h MET 196 N 0.50 0.40 -0.85 3.56 2.86 -0.45 -0.42 114.93 120.53 1ua2 h MET 196 Ca 0.09 -0.20 0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1ua2 h MET 196 Cb 0.51 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 1ua2 h MET 196 CO 0.03 0.74 0.51 2.35 1.06 0.00 0.00 176.91 181.61 1ua2 h TRP 197 N 0.05 0.94 0.13 -0.22 2.91 -0.92 0.80 115.95 119.65 1ua2 h TRP 197 Ca 0.03 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 1ua2 h TRP 197 Cb 0.66 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.01 1ua2 h TRP 197 CO 0.08 0.44 -0.06 0.00 -1.03 0.00 0.00 178.44 177.87 1ua2 h ALA 198 N 1.43 -0.17 -0.84 2.65 0.00 -1.32 0.35 119.26 121.36 1ua2 h ALA 198 Ca 0.39 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.46 1ua2 h ALA 198 Cb 0.25 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 1ua2 h ALA 198 CO -0.20 -0.59 0.29 0.28 0.00 0.00 0.00 179.25 179.02 1ua2 h VAL 199 N -0.18 0.47 -0.52 0.00 2.07 -0.16 0.32 116.25 118.26 1ua2 h VAL 199 Ca -0.02 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.49 1ua2 h VAL 199 Cb 0.14 0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 29.92 1ua2 h VAL 199 CO 0.03 0.06 -0.15 1.23 0.02 0.00 0.00 177.57 178.76 1ua2 h GLY 200 N 0.33 0.33 1.88 2.17 0.00 0.29 0.12 103.07 108.19 1ua2 h GLY 200 Ca 0.50 0.20 -0.15 0.00 0.00 0.00 0.00 47.33 47.88 1ua2 h GLY 200 CO -0.54 -0.21 -0.67 0.00 0.00 0.00 0.00 176.54 175.13 1ua2 h ILE 202 N 0.09 0.24 -0.46 0.00 2.04 -0.03 -2.05 117.51 117.34 1ua2 h ILE 202 Ca -0.01 -0.32 0.09 0.00 1.00 0.00 0.00 64.86 65.62 1ua2 h ILE 202 Cb 1.19 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 37.49 1ua2 h ILE 202 CO 0.10 0.03 -0.23 0.25 0.00 0.00 0.00 178.15 178.30 1ua2 h LEU 203 N -1.08 -0.78 -1.16 1.44 6.46 -0.71 1.57 115.31 121.06 1ua2 h LEU 203 Ca -0.08 0.17 0.38 0.00 -0.12 0.00 0.00 57.88 58.23 1ua2 h LEU 203 Cb 0.68 0.42 -0.15 0.00 -0.73 0.00 0.00 40.66 40.88 1ua2 h LEU 203 CO 0.14 -0.25 0.66 0.00 -0.62 0.00 0.00 178.44 178.37 1ua2 h ALA 204 N 1.14 2.29 -0.09 1.25 0.00 -1.38 -0.38 119.26 122.10 1ua2 h ALA 204 Ca 0.21 0.18 -0.24 0.00 0.00 0.00 0.00 54.91 55.06 1ua2 h ALA 204 Cb 0.47 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1ua2 h ALA 204 CO -0.54 -0.95 -0.89 1.49 0.00 0.00 0.00 179.25 178.36 1ua2 h GLU 205 N 0.16 0.76 -0.75 0.00 4.81 0.30 -2.15 114.58 117.71 1ua2 h GLU 205 Ca 0.79 -0.69 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 1ua2 h GLU 205 Cb 2.13 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 31.62 1ua2 h GLU 205 CO -0.57 1.28 0.49 -0.07 -0.73 0.00 0.00 179.01 179.41 1ua2 h LEU 206 N 0.48 0.60 0.00 1.64 4.07 -0.12 0.36 115.31 122.34 1ua2 h LEU 206 Ca -0.08 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1ua2 h LEU 206 Cb 1.53 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.16 1ua2 h LEU 206 CO 0.18 0.36 0.00 0.18 -1.08 0.00 0.00 178.44 178.08 1ua2 n LEU 207 N -4.50 0.00 -0.14 1.67 4.77 -0.94 -4.22 117.00 113.64 1ua2 n LEU 207 Ca 0.12 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.27 1ua2 n LEU 207 Cb 0.33 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.67 1ua2 n LEU 207 CO 0.33 0.00 0.72 0.18 -1.33 0.00 0.00 177.39 177.28 1ua2 n LEU 208 N 0.00 0.00 0.00 2.23 4.32 -0.82 -4.69 117.00 118.04 1ua2 n LEU 208 Ca 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 1ua2 n LEU 208 Cb 0.00 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1ua2 n LEU 208 CO 0.00 -0.44 0.00 -1.14 -1.22 0.00 0.00 177.39 174.59 1ua2 n ARG 209 N -2.43 0.00 -4.27 3.23 3.00 0.13 -4.92 116.66 111.41 1ua2 n ARG 209 Ca 0.14 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.77 1ua2 n ARG 209 Cb 0.88 -3.06 -0.12 0.00 0.00 0.00 0.00 32.46 30.16 1ua2 n ARG 209 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ua2 s VAL 210 N -2.50 1.43 -0.13 5.15 1.01 -1.25 -4.63 120.40 119.48 1ua2 s VAL 210 Ca 0.00 -1.39 -0.38 0.00 0.00 0.00 0.00 61.98 60.21 1ua2 s VAL 210 Cb 0.00 -1.32 -0.16 0.00 0.00 0.00 0.00 36.38 34.90 1ua2 s VAL 210 CO 0.00 -0.10 1.62 -0.81 0.00 0.00 0.00 175.10 175.81 1ua2 n PRO 211 N 1.27 1.27 0.51 2.72 -0.04 -1.26 -4.44 135.00 135.03 1ua2 n PRO 211 Ca -0.20 0.46 -0.20 0.00 -0.04 0.00 0.00 63.50 63.52 1ua2 n PRO 211 Cb 0.54 -2.15 -0.10 0.00 -0.04 0.00 0.00 33.50 31.75 1ua2 n PRO 211 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1ua2 h PHE 212 N 6.49 -1.20 -2.79 0.54 3.57 -1.88 -3.38 116.94 118.29 1ua2 h PHE 212 Ca -0.47 -0.03 -0.61 0.00 3.53 0.00 0.00 57.97 60.39 1ua2 h PHE 212 Cb 1.32 0.40 -0.41 0.00 2.79 0.00 0.00 35.95 40.05 1ua2 h PHE 212 CO 0.72 -0.75 -0.72 1.28 -2.23 0.00 0.00 178.31 176.62 1ua2 n LEU 213 N -5.65 1.85 -4.56 0.59 4.77 -1.26 -5.04 117.00 107.70 1ua2 n LEU 213 Ca -0.16 -4.94 -0.37 0.00 -0.03 0.00 0.00 56.01 50.51 1ua2 n LEU 213 Cb 0.51 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1ua2 n LEU 213 CO 0.40 1.81 1.41 -2.84 -1.33 0.00 0.00 177.39 176.84 1ua2 s PRO 214 N -1.01 3.18 -0.12 3.23 0.02 -1.26 -4.42 135.00 134.62 1ua2 s PRO 214 Ca 0.28 -0.63 -0.05 0.00 0.02 0.00 0.00 61.00 60.62 1ua2 s PRO 214 Cb -0.00 -5.02 -0.04 0.00 0.02 0.00 0.00 34.50 29.46 1ua2 s PRO 214 CO -0.17 -2.54 0.09 0.20 -0.33 0.00 0.00 177.00 174.24 1ua2 s GLY 215 N 5.83 2.03 0.49 0.52 0.00 -1.26 -4.95 107.32 109.97 1ua2 s GLY 215 Ca 0.52 -0.71 0.25 0.00 0.00 0.00 0.00 44.72 44.78 1ua2 s GLY 215 CO -0.01 -0.38 1.98 -0.55 0.00 0.00 0.00 173.10 174.14 1ua2 h ASP 216 N 5.28 0.00 -5.18 1.64 3.32 -1.95 -3.44 116.42 116.09 1ua2 h ASP 216 Ca -0.51 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.47 1ua2 h ASP 216 Cb 1.21 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 1ua2 h ASP 216 CO 0.59 0.17 0.06 -0.94 -1.72 0.00 0.00 179.24 177.41 1ua2 s SER 217 N -6.26 0.13 0.14 6.45 1.04 -1.26 -4.99 113.70 108.96 1ua2 s SER 217 Ca -0.02 -1.06 -0.18 0.00 0.48 0.00 0.00 55.95 55.16 1ua2 s SER 217 Cb 0.13 0.72 0.01 0.00 0.10 0.00 0.00 66.02 66.98 1ua2 s SER 217 CO 0.61 -1.40 1.73 0.44 0.98 0.00 0.00 173.24 175.60 1ua2 h ASP 218 N 2.09 -0.01 -0.37 7.02 5.19 -1.95 0.16 116.42 128.54 1ua2 h ASP 218 Ca -0.27 0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.10 1ua2 h ASP 218 Cb 1.25 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 1ua2 h ASP 218 CO 0.35 0.03 -0.05 0.25 -3.12 0.00 0.00 179.24 176.71 1ua2 h LEU 219 N 0.14 0.76 -1.22 1.55 5.85 -1.96 0.25 115.31 120.68 1ua2 h LEU 219 Ca 0.13 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1ua2 h LEU 219 Cb 0.14 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1ua2 h LEU 219 CO -0.18 0.86 -0.33 -0.78 -0.34 0.00 0.00 178.44 177.67 1ua2 h ASP 220 N 0.72 0.00 0.03 1.25 3.58 -1.83 0.58 116.42 120.75 1ua2 h ASP 220 Ca 0.13 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.37 1ua2 h ASP 220 Cb 0.51 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.58 1ua2 h ASP 220 CO 0.03 0.33 -0.85 -0.61 -2.88 0.00 0.00 179.24 175.25 1ua2 h GLN 221 N 0.00 0.52 0.12 0.28 5.75 0.01 -1.50 115.11 120.30 1ua2 h GLN 221 Ca -0.00 -0.60 -0.01 0.00 -0.15 0.00 0.00 58.65 57.89 1ua2 h GLN 221 Cb 0.72 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1ua2 h GLN 221 CO 0.04 1.23 -0.06 1.25 -2.65 0.00 0.00 178.83 178.64 1ua2 h LEU 222 N 0.08 -0.14 -0.40 -2.39 5.85 -0.27 -1.06 115.31 116.98 1ua2 h LEU 222 Ca -0.11 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.49 1ua2 h LEU 222 Cb 1.55 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.53 1ua2 h LEU 222 CO 0.17 0.11 -0.36 0.74 -0.34 0.00 0.00 178.44 178.75 1ua2 h THR 223 N -0.39 0.19 -0.89 1.05 2.02 -0.97 -1.08 112.91 112.83 1ua2 h THR 223 Ca -0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.27 1ua2 h THR 223 Cb 0.32 0.19 -0.08 0.00 -1.74 0.00 0.00 68.15 66.84 1ua2 h THR 223 CO 0.03 0.00 0.53 0.03 0.37 0.00 0.00 175.52 176.48 1ua2 h ARG 224 N -0.28 0.83 0.13 6.66 3.08 -1.01 0.29 114.38 124.08 1ua2 h ARG 224 Ca 0.16 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1ua2 h ARG 224 Cb 0.56 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1ua2 h ARG 224 CO -0.55 0.55 -0.06 0.82 -1.07 0.00 0.00 179.97 179.66 1ua2 h ILE 225 N 0.86 0.91 -0.31 2.04 2.04 -0.18 -2.82 117.51 120.05 1ua2 h ILE 225 Ca 0.44 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 66.11 1ua2 h ILE 225 Cb 0.43 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1ua2 h ILE 225 CO -0.26 0.04 0.16 -0.26 0.00 0.00 0.00 178.15 177.83 1ua2 h PHE 226 N -0.26 0.44 0.00 1.37 0.05 0.11 0.26 116.94 118.91 1ua2 h PHE 226 Ca -0.02 -0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.74 1ua2 h PHE 226 Cb 0.21 -0.14 -0.00 0.00 2.00 0.00 0.00 35.95 38.02 1ua2 h PHE 226 CO -0.04 0.38 -0.07 1.05 -0.18 0.00 0.00 178.31 179.44 1ua2 h GLU 227 N 0.37 0.00 0.00 1.51 4.11 -1.05 1.31 114.58 120.84 1ua2 h GLU 227 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.54 1ua2 h GLU 227 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ua2 h GLU 227 CO -0.02 0.07 -0.01 1.15 0.07 0.00 0.00 179.01 180.27 1ua2 h THR 228 N 0.00 1.28 -0.03 -1.06 2.02 -1.08 -3.28 112.91 110.75 1ua2 h THR 228 Ca -0.00 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.22 1ua2 h THR 228 Cb 0.17 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1ua2 h THR 228 CO 0.01 0.43 0.00 0.18 0.37 0.00 0.00 175.52 176.51 1ua2 n LEU 229 N -4.66 2.51 0.00 2.58 4.77 0.83 -0.80 117.00 122.24 1ua2 n LEU 229 Ca -0.07 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 1ua2 n LEU 229 Cb 0.35 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1ua2 n LEU 229 CO 0.24 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1ua2 n GLY 230 N 1.01 -1.86 3.77 -0.72 0.00 0.45 -4.75 105.19 103.08 1ua2 n GLY 230 Ca 0.11 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 1ua2 n GLY 230 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ua2 s THR 231 N -3.57 3.26 -0.27 2.61 2.01 -1.01 -4.53 115.64 114.14 1ua2 s THR 231 Ca 0.00 1.14 -0.27 0.00 0.31 0.00 0.00 61.69 62.87 1ua2 s THR 231 Cb 0.00 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.84 1ua2 s THR 231 CO 0.00 0.18 0.95 -2.84 -0.69 0.00 0.00 174.62 172.22 1ua2 s PRO 232 N -1.98 4.15 0.30 4.92 0.02 -1.26 -4.79 135.00 136.35 1ua2 s PRO 232 Ca 0.52 1.06 -0.28 0.00 0.02 0.00 0.00 61.00 62.32 1ua2 s PRO 232 Cb -0.31 -3.68 -0.14 0.00 0.02 0.00 0.00 34.50 30.39 1ua2 s PRO 232 CO 0.40 -0.67 0.97 0.25 -0.33 0.00 0.00 177.00 177.62 1ua2 n THR 233 N 5.46 2.02 0.25 0.99 -2.24 -1.26 -4.78 114.28 114.72 1ua2 n THR 233 Ca 0.09 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.45 1ua2 n THR 233 Cb 0.47 -0.95 0.41 0.00 -2.10 0.00 0.00 70.33 68.15 1ua2 n THR 233 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ua2 h GLU 234 N 1.87 0.00 0.28 -0.78 4.57 -1.96 0.15 114.58 118.72 1ua2 h GLU 234 Ca -0.39 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.77 1ua2 h GLU 234 Cb 1.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1ua2 h GLU 234 CO 0.60 0.00 -0.13 1.49 -1.18 0.00 0.00 179.01 179.78 1ua2 h GLU 235 N 0.00 -0.36 0.00 1.92 4.57 -2.00 -2.30 114.58 116.41 1ua2 h GLU 235 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1ua2 h GLU 235 Cb 0.95 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1ua2 h GLU 235 CO 0.00 -0.14 -0.25 1.96 -1.18 0.00 0.00 179.01 179.40 1ua2 h GLN 236 N -0.53 0.00 -1.83 1.92 4.20 -1.32 -3.38 115.11 114.17 1ua2 h GLN 236 Ca -0.04 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.18 1ua2 h GLN 236 Cb 0.39 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.84 1ua2 h GLN 236 CO 0.06 0.00 -0.92 1.87 -0.67 0.00 0.00 178.83 179.17 1ua2 n TRP 237 N -2.57 -1.33 -2.31 2.96 -0.00 -0.90 -4.06 117.44 109.23 1ua2 n TRP 237 Ca 0.04 -3.01 -0.40 0.00 -0.00 0.00 0.00 57.50 54.13 1ua2 n TRP 237 Cb 0.48 0.32 -0.03 0.00 -0.00 0.00 0.00 31.31 32.08 1ua2 n TRP 237 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 1ua2 s PRO 238 N -0.23 4.42 0.00 5.87 0.02 -0.87 -1.95 135.00 142.26 1ua2 s PRO 238 Ca 0.33 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1ua2 s PRO 238 Cb 0.10 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.58 1ua2 s PRO 238 CO -0.15 -0.04 0.00 -0.25 -0.33 0.00 0.00 177.00 176.23 1ua2 n ASP 239 N 0.82 0.00 -0.32 2.53 9.92 -1.26 -4.91 116.55 123.33 1ua2 n ASP 239 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.37 1ua2 n ASP 239 Cb 0.44 0.00 0.28 0.00 -0.64 0.00 0.00 41.12 41.20 1ua2 n ASP 239 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 1ua2 h MET 240 N 3.53 0.65 -0.96 -1.24 4.05 -1.77 -1.92 114.93 117.27 1ua2 h MET 240 Ca 0.00 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1ua2 h MET 240 Cb 0.00 -0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 30.60 1ua2 h MET 240 CO 0.00 0.43 0.64 0.00 0.23 0.00 0.00 176.91 178.21 1ua2 n SER 242 N -4.40 2.12 -4.75 0.00 3.41 -0.72 -4.73 113.62 104.55 1ua2 n SER 242 Ca 0.12 -2.18 -0.38 0.00 -0.26 0.00 0.00 58.87 56.17 1ua2 n SER 242 Cb 0.03 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 63.39 1ua2 n SER 242 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ua2 s LEU 243 N -0.46 4.35 0.30 1.04 2.96 -1.17 -4.99 118.68 120.71 1ua2 s LEU 243 Ca 0.09 0.96 0.05 0.00 -0.22 0.00 0.00 54.13 55.01 1ua2 s LEU 243 Cb 0.07 -2.77 0.82 0.00 0.50 0.00 0.00 46.19 44.80 1ua2 s LEU 243 CO 0.02 0.07 1.63 -0.65 -1.32 0.00 0.00 176.35 176.10 1ua2 h PRO 244 N 6.13 0.17 -0.59 0.98 0.11 -1.78 -0.26 132.00 136.77 1ua2 h PRO 244 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ua2 h PRO 244 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ua2 h PRO 244 CO 0.72 0.11 0.00 -0.25 -0.21 0.00 0.00 178.00 178.37 1ua2 n ASP 245 N -5.24 4.56 -4.60 -2.05 8.00 0.32 -4.99 116.55 112.55 1ua2 n ASP 245 Ca 0.24 -2.48 -0.40 0.00 0.71 0.00 0.00 54.79 52.87 1ua2 n ASP 245 Cb 0.78 -0.55 0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1ua2 n ASP 245 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ua2 n TYR 246 N 0.91 0.91 -3.60 1.24 9.36 -0.11 -4.91 117.16 120.96 1ua2 n TYR 246 Ca 0.24 0.50 -0.15 0.00 3.32 0.00 0.00 57.90 61.82 1ua2 n TYR 246 Cb 0.86 -2.18 -0.07 0.00 -0.63 0.00 0.00 39.34 37.33 1ua2 n TYR 246 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1ua2 s VAL 247 N -1.40 0.00 0.71 2.97 -7.23 -1.26 -5.03 120.40 109.16 1ua2 s VAL 247 Ca 0.68 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.74 1ua2 s VAL 247 Cb -0.49 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.46 1ua2 s VAL 247 CO 0.53 0.00 1.07 0.42 -0.31 0.00 0.00 175.10 176.81 1ua2 s THR 248 N -0.15 3.89 0.03 5.32 -4.23 -1.26 -5.07 115.64 114.17 1ua2 s THR 248 Ca -0.03 0.61 0.03 0.00 -1.18 0.00 0.00 61.69 61.12 1ua2 s THR 248 Cb -0.03 -3.31 -0.02 0.00 1.34 0.00 0.00 72.50 70.48 1ua2 s THR 248 CO 0.03 -0.80 -0.09 -0.36 -0.54 0.00 0.00 174.62 172.86 1ua2 s PHE 249 N -3.02 0.79 -0.00 3.99 0.40 -1.26 -5.08 117.98 113.79 1ua2 s PHE 249 Ca 0.59 -0.36 -0.37 0.00 -0.60 0.00 0.00 56.93 56.19 1ua2 s PHE 249 Cb -0.15 -0.47 -0.15 0.00 0.51 0.00 0.00 43.02 42.76 1ua2 s PHE 249 CO 0.55 -0.03 1.56 1.17 0.70 0.00 0.00 175.22 179.17 1ua2 n LYS 250 N 1.91 1.51 -1.68 0.44 4.81 -1.26 -4.75 118.16 119.14 1ua2 n LYS 250 Ca -0.19 0.55 -0.43 0.00 -0.87 0.00 0.00 58.31 57.37 1ua2 n LYS 250 Cb 0.55 -2.26 -0.03 0.00 0.02 0.00 0.00 35.03 33.32 1ua2 n LYS 250 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ua2 s SER 251 N 1.74 5.67 -0.00 3.14 0.15 -1.26 -4.81 113.70 118.34 1ua2 s SER 251 Ca 0.87 1.92 -0.17 0.00 0.70 0.00 0.00 55.95 59.28 1ua2 s SER 251 Cb -0.88 -2.52 -0.06 0.00 -1.71 0.00 0.00 66.02 60.85 1ua2 s SER 251 CO 0.50 -1.78 0.48 -0.36 1.20 0.00 0.00 173.24 173.27 1ua2 s PHE 252 N 7.50 3.71 0.11 3.44 0.40 -1.26 -4.91 117.98 126.97 1ua2 s PHE 252 Ca 0.95 1.06 -0.25 0.00 -0.60 0.00 0.00 56.93 58.10 1ua2 s PHE 252 Cb -0.33 -2.41 -0.09 0.00 0.51 0.00 0.00 43.02 40.70 1ua2 s PHE 252 CO 0.36 0.52 1.67 -1.00 0.70 0.00 0.00 175.22 177.47 1ua2 h PRO 253 N 5.09 -0.31 0.00 0.24 0.13 -1.90 -2.69 132.00 132.56 1ua2 h PRO 253 Ca -0.49 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ua2 h PRO 253 Cb 1.21 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ua2 h PRO 253 CO 0.65 -0.21 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 1ua2 n GLY 254 N -1.30 -2.60 3.70 1.56 0.00 -1.25 -4.06 105.19 101.23 1ua2 n GLY 254 Ca -0.06 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1ua2 n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ua2 s ILE 255 N -0.97 2.46 -0.83 -0.61 1.01 0.02 -4.71 121.20 117.57 1ua2 s ILE 255 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 60.65 60.48 1ua2 s ILE 255 Cb 0.00 -3.09 -0.18 0.00 0.01 0.00 0.00 42.46 39.20 1ua2 s ILE 255 CO 0.00 0.00 2.58 -2.65 0.00 0.00 0.00 174.94 174.88 1ua2 n PRO 256 N 4.98 0.29 0.00 2.79 -0.02 -1.26 -4.75 135.00 137.03 1ua2 n PRO 256 Ca 0.17 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1ua2 n PRO 256 Cb 0.38 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1ua2 n PRO 256 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ua2 n LEU 257 N 11.59 0.00 -0.21 2.45 4.32 -1.26 0.22 117.00 134.12 1ua2 n LEU 257 Ca 0.58 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 56.55 1ua2 n LEU 257 Cb 0.16 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.04 1ua2 n LEU 257 CO 0.88 0.00 1.05 -0.74 -1.22 0.00 0.00 177.39 177.36 1ua2 h HIS 258 N 0.00 0.57 -0.10 -1.77 -0.00 -1.90 0.48 115.15 112.44 1ua2 h HIS 258 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1ua2 h HIS 258 Cb 0.00 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.24 1ua2 h HIS 258 CO 0.00 0.25 0.05 0.45 -0.00 0.00 0.00 177.93 178.69 1ua2 h HIS 259 N 0.58 0.13 0.47 5.26 3.86 0.24 -2.32 115.15 123.37 1ua2 h HIS 259 Ca 0.28 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.48 1ua2 h HIS 259 Cb 0.21 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 1ua2 h HIS 259 CO -0.10 0.16 -0.49 0.82 0.86 0.00 0.00 177.93 179.17 1ua2 h ILE 260 N 0.07 0.04 -3.43 2.45 1.08 -1.14 -3.28 117.51 113.29 1ua2 h ILE 260 Ca 0.03 0.00 -0.74 0.00 -0.39 0.00 0.00 64.86 63.76 1ua2 h ILE 260 Cb 0.07 0.04 -0.32 0.00 -3.07 0.00 0.00 36.82 33.53 1ua2 h ILE 260 CO -0.01 0.00 0.10 -0.36 -0.69 0.00 0.00 178.15 177.19 1ua2 s PHE 261 N -5.88 4.01 0.51 1.37 0.40 0.16 -4.88 117.98 113.67 1ua2 s PHE 261 Ca -0.18 -2.87 0.16 0.00 -0.60 0.00 0.00 56.93 53.44 1ua2 s PHE 261 Cb 0.05 -3.47 1.24 0.00 0.51 0.00 0.00 43.02 41.34 1ua2 s PHE 261 CO 0.61 -0.82 2.12 0.66 0.70 0.00 0.00 175.22 178.48 1ua2 h SER 262 N 6.33 0.00 0.59 1.36 4.64 -1.48 -2.32 113.55 122.66 1ua2 h SER 262 Ca 0.16 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.28 1ua2 h SER 262 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1ua2 h SER 262 CO 0.90 0.04 -0.86 0.00 -0.87 0.00 0.00 176.83 176.04 1ua2 h ALA 263 N 1.96 0.54 -2.38 5.18 0.00 -1.90 -3.47 119.26 119.19 1ua2 h ALA 263 Ca -0.00 -0.72 -0.54 0.00 0.00 0.00 0.00 54.91 53.65 1ua2 h ALA 263 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ua2 h ALA 263 CO 0.01 0.91 0.67 0.00 0.00 0.00 0.00 179.25 180.84 1ua2 s ALA 264 N -3.22 3.47 0.50 0.00 0.00 -0.87 -5.01 121.76 116.63 1ua2 s ALA 264 Ca -0.03 0.73 -0.20 0.00 0.00 0.00 0.00 51.96 52.46 1ua2 s ALA 264 Cb 0.10 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 1ua2 s ALA 264 CO 0.83 -0.68 1.08 0.20 0.00 0.00 0.00 175.76 177.18 1ua2 s GLY 265 N 1.40 2.58 0.19 0.00 0.00 -1.26 -4.74 107.32 105.49 1ua2 s GLY 265 Ca 0.58 0.70 -0.24 0.00 0.00 0.00 0.00 44.72 45.76 1ua2 s GLY 265 CO 0.25 1.05 1.55 -0.55 0.00 0.00 0.00 173.10 175.40 1ua2 h ASP 266 N 1.53 -1.72 -1.74 1.64 3.32 -1.99 0.45 116.42 117.91 1ua2 h ASP 266 Ca -0.50 0.31 0.53 0.00 0.02 0.00 0.00 57.03 57.39 1ua2 h ASP 266 Cb 1.23 0.82 -0.10 0.00 0.22 0.00 0.00 39.33 41.51 1ua2 h ASP 266 CO 0.59 -0.28 1.22 -2.24 -1.72 0.00 0.00 179.24 176.81 1ua2 h ASP 267 N -0.04 0.07 0.53 6.45 2.03 -1.98 0.43 116.42 123.92 1ua2 h ASP 267 Ca 0.25 0.05 -0.19 0.00 -0.73 0.00 0.00 57.03 56.41 1ua2 h ASP 267 Cb 0.52 0.05 -0.03 0.00 -0.83 0.00 0.00 39.33 39.05 1ua2 h ASP 267 CO -0.92 -0.09 -1.62 -0.11 -1.03 0.00 0.00 179.24 175.47 1ua2 n LEU 268 N -4.22 0.68 0.01 0.15 7.94 0.15 -4.01 117.00 117.69 1ua2 n LEU 268 Ca 0.42 0.30 -0.13 0.00 -1.11 0.00 0.00 56.01 55.50 1ua2 n LEU 268 Cb 1.83 0.13 -0.10 0.00 0.53 0.00 0.00 43.42 45.82 1ua2 n LEU 268 CO 0.36 0.20 0.58 -0.07 -1.11 0.00 0.00 177.39 177.34 1ua2 h LEU 269 N 0.00 -0.06 -1.57 -1.96 3.38 0.72 -2.03 115.31 113.79 1ua2 h LEU 269 Ca -0.21 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.30 1ua2 h LEU 269 Cb 1.67 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 1ua2 h LEU 269 CO 0.04 0.46 0.30 -2.24 0.09 0.00 0.00 178.44 177.09 1ua2 h ASP 270 N -0.60 0.50 -0.33 -0.43 3.04 -1.72 0.24 116.42 117.11 1ua2 h ASP 270 Ca -0.01 -0.01 0.07 0.00 -3.24 0.00 0.00 57.03 53.84 1ua2 h ASP 270 Cb 0.53 -0.12 -0.08 0.00 -1.04 0.00 0.00 39.33 38.61 1ua2 h ASP 270 CO 0.01 0.36 -0.28 0.25 -2.04 0.00 0.00 179.24 177.54 1ua2 h LEU 271 N 0.58 -0.93 0.70 0.15 5.85 -1.64 0.96 115.31 120.99 1ua2 h LEU 271 Ca 0.17 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 1ua2 h LEU 271 Cb -0.02 0.44 0.01 0.00 0.37 0.00 0.00 40.66 41.45 1ua2 h LEU 271 CO -0.04 -0.30 -0.34 0.40 -0.34 0.00 0.00 178.44 177.82 1ua2 h ILE 272 N -0.25 0.00 -0.96 4.05 2.04 -0.41 -0.53 117.51 121.45 1ua2 h ILE 272 Ca 0.16 -0.03 0.39 0.00 1.00 0.00 0.00 64.86 66.38 1ua2 h ILE 272 Cb 0.50 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.42 1ua2 h ILE 272 CO -0.47 0.00 0.54 1.67 0.00 0.00 0.00 178.15 179.89 1ua2 n GLN 273 N -4.61 -0.05 -0.10 2.37 7.27 0.69 0.13 117.38 123.08 1ua2 n GLN 273 Ca -0.12 1.24 -0.11 0.00 0.07 0.00 0.00 57.00 58.09 1ua2 n GLN 273 Cb 0.37 -2.26 -0.03 0.00 2.41 0.00 0.00 30.24 30.72 1ua2 n GLN 273 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1ua2 h GLY 274 N 0.00 0.52 1.63 1.69 0.00 0.15 -2.53 103.07 104.53 1ua2 h GLY 274 Ca 0.78 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1ua2 h GLY 274 CO -0.66 0.33 0.00 1.04 0.00 0.00 0.00 176.54 177.25 1ua2 n LEU 275 N -4.63 0.00 -0.32 3.11 4.77 0.34 -1.98 117.00 118.29 1ua2 n LEU 275 Ca -0.03 0.32 0.04 0.00 -0.03 0.00 0.00 56.01 56.31 1ua2 n LEU 275 Cb 0.22 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1ua2 n LEU 275 CO 0.38 -0.08 0.38 0.49 -1.33 0.00 0.00 177.39 177.22 1ua2 n PHE 276 N -1.32 0.00 -1.65 -1.77 3.01 0.37 -3.90 117.46 112.21 1ua2 n PHE 276 Ca 0.10 -0.00 -0.49 0.00 1.01 0.00 0.00 57.45 58.07 1ua2 n PHE 276 Cb 0.19 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.61 1ua2 n PHE 276 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1ua2 n LEU 277 N 0.45 2.70 -0.33 4.37 4.77 -0.99 -4.85 117.00 123.12 1ua2 n LEU 277 Ca 0.05 1.08 0.04 0.00 -0.03 0.00 0.00 56.01 57.14 1ua2 n LEU 277 Cb 0.20 -1.34 0.19 0.00 -2.33 0.00 0.00 43.42 40.14 1ua2 n LEU 277 CO 0.05 -0.47 1.20 -0.26 -1.33 0.00 0.00 177.39 176.57 1ua2 h PHE 278 N 6.08 1.02 -3.13 -1.77 -1.00 -1.92 -3.41 116.94 112.81 1ua2 h PHE 278 Ca -0.46 0.03 -0.57 0.00 2.81 0.00 0.00 57.97 59.78 1ua2 h PHE 278 Cb 1.28 -0.32 -0.05 0.00 3.61 0.00 0.00 35.95 40.47 1ua2 h PHE 278 CO 0.66 0.45 0.91 1.21 -1.61 0.00 0.00 178.31 179.93 1ua2 s ASN 279 N -5.71 6.84 0.42 2.17 2.47 -1.26 -4.72 114.94 115.16 1ua2 s ASN 279 Ca -0.12 1.29 0.29 0.00 0.42 0.00 0.00 52.86 54.74 1ua2 s ASN 279 Cb 0.20 -2.54 1.45 0.00 -1.45 0.00 0.00 41.25 38.91 1ua2 s ASN 279 CO 0.80 -0.92 1.56 -2.65 -3.72 0.00 0.00 177.10 172.17 1ua2 n PRO 280 N 6.94 -0.04 -0.00 0.43 -0.02 -1.26 -0.38 135.00 140.67 1ua2 n PRO 280 Ca 0.14 1.29 0.08 0.00 -2.02 0.00 0.00 63.50 62.98 1ua2 n PRO 280 Cb 0.46 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 1ua2 n PRO 280 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ua2 h ALA 282 N 2.37 1.50 -2.68 0.00 0.00 -1.07 -3.45 119.26 115.94 1ua2 h ALA 282 Ca 0.00 -0.07 -0.56 0.00 0.00 0.00 0.00 54.91 54.28 1ua2 h ALA 282 Cb 0.46 -0.25 0.11 0.00 0.00 0.00 0.00 17.79 18.11 1ua2 h ALA 282 CO 0.00 0.44 0.59 -2.13 0.00 0.00 0.00 179.25 178.15 1ua2 n ARG 283 N -4.41 2.29 -1.76 0.00 0.63 -0.75 -4.86 116.66 107.79 1ua2 n ARG 283 Ca 0.06 0.80 -0.41 0.00 -0.92 0.00 0.00 57.85 57.38 1ua2 n ARG 283 Cb 0.07 -2.45 -0.01 0.00 0.45 0.00 0.00 32.46 30.53 1ua2 n ARG 283 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1ua2 n ILE 284 N 0.32 1.58 -1.50 5.15 3.06 -0.84 -4.98 119.36 122.15 1ua2 n ILE 284 Ca 0.04 -0.40 -0.30 0.00 -2.50 0.00 0.00 62.75 59.59 1ua2 n ILE 284 Cb 0.37 -1.97 0.08 0.00 0.54 0.00 0.00 39.64 38.67 1ua2 n ILE 284 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1ua2 s THR 285 N -0.64 3.29 0.07 9.51 2.01 -1.26 -4.86 115.64 123.76 1ua2 s THR 285 Ca 0.58 0.42 -0.20 0.00 0.31 0.00 0.00 61.69 62.80 1ua2 s THR 285 Cb -0.48 -3.12 -0.11 0.00 0.01 0.00 0.00 72.50 68.80 1ua2 s THR 285 CO 0.57 -0.55 1.48 0.00 -0.69 0.00 0.00 174.62 175.43 1ua2 h ALA 286 N -1.04 0.28 -0.17 7.40 0.00 -1.95 0.14 119.26 123.91 1ua2 h ALA 286 Ca -0.46 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.26 1ua2 h ALA 286 Cb 1.25 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1ua2 h ALA 286 CO 0.58 0.03 -0.16 1.15 0.00 0.00 0.00 179.25 180.85 1ua2 h THR 287 N 0.11 0.56 -0.38 0.00 2.02 -1.91 -1.80 112.91 111.51 1ua2 h THR 287 Ca 0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.27 1ua2 h THR 287 Cb 0.45 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1ua2 h THR 287 CO 0.02 0.00 0.25 1.56 0.37 0.00 0.00 175.52 177.72 1ua2 h GLN 288 N -0.18 0.37 0.02 6.66 4.20 -1.88 0.63 115.11 124.93 1ua2 h GLN 288 Ca 0.11 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.59 1ua2 h GLN 288 Cb 0.34 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1ua2 h GLN 288 CO -0.28 0.24 -0.96 0.00 -0.67 0.00 0.00 178.83 177.16 1ua2 h ALA 289 N 1.79 0.43 -0.00 3.87 0.00 -0.40 -2.96 119.26 121.98 1ua2 h ALA 289 Ca 0.16 -0.82 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 1ua2 h ALA 289 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ua2 h ALA 289 CO -0.04 1.06 -0.55 -0.07 0.00 0.00 0.00 179.25 179.65 1ua2 h LEU 290 N 0.04 0.01 -0.33 0.00 3.38 -0.42 -1.77 115.31 116.23 1ua2 h LEU 290 Ca -0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ua2 h LEU 290 Cb 1.65 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1ua2 h LEU 290 CO 0.14 0.56 0.00 0.29 0.09 0.00 0.00 178.44 179.52 1ua2 n LYS 291 N -3.88 0.99 -3.16 1.13 4.76 0.11 -4.78 118.16 113.33 1ua2 n LYS 291 Ca -0.01 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.05 1ua2 n LYS 291 Cb 0.56 -1.16 -0.06 0.00 -1.84 0.00 0.00 35.03 32.53 1ua2 n LYS 291 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1ua2 s MET 292 N -1.67 4.27 0.52 1.97 -1.94 -0.67 -4.92 119.30 116.87 1ua2 s MET 292 Ca 0.00 0.84 0.46 0.00 -1.71 0.00 0.00 55.69 55.28 1ua2 s MET 292 Cb 0.00 -3.09 1.64 0.00 2.01 0.00 0.00 34.83 35.39 1ua2 s MET 292 CO 0.00 0.52 1.50 1.63 -0.01 0.00 0.00 175.02 178.67 1ua2 n LYS 293 N 1.24 -0.01 -0.17 2.03 4.76 -1.26 -1.20 118.16 123.56 1ua2 n LYS 293 Ca -0.06 1.07 0.10 0.00 -2.87 0.00 0.00 58.31 56.55 1ua2 n LYS 293 Cb 0.50 -2.41 0.42 0.00 -1.84 0.00 0.00 35.03 31.70 1ua2 n LYS 293 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1ua2 h TYR 294 N 0.00 0.65 -0.00 2.13 3.20 -1.91 -1.27 116.97 119.77 1ua2 h TYR 294 Ca 0.90 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.79 1ua2 h TYR 294 Cb 3.51 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 41.57 1ua2 h TYR 294 CO -0.00 0.30 -0.63 1.19 -1.64 0.00 0.00 178.16 177.39 1ua2 n PHE 295 N -4.49 0.00 0.23 -3.82 3.01 -0.34 -3.20 117.46 108.84 1ua2 n PHE 295 Ca 0.12 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.69 1ua2 n PHE 295 Cb 0.35 -0.09 -0.05 0.00 -0.01 0.00 0.00 39.48 39.68 1ua2 n PHE 295 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1ua2 n SER 296 N -1.04 0.50 -3.69 4.37 3.41 -1.01 -4.94 113.62 111.23 1ua2 n SER 296 Ca 0.07 0.03 -0.27 0.00 -0.26 0.00 0.00 58.87 58.44 1ua2 n SER 296 Cb 0.36 1.07 0.20 0.00 -0.26 0.00 0.00 64.21 65.58 1ua2 n SER 296 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ua2 n ASN 297 N -2.30 -0.38 0.00 4.04 4.13 -0.51 -4.98 115.26 115.26 1ua2 n ASN 297 Ca -0.01 -1.37 0.00 0.00 1.68 0.00 0.00 54.58 54.88 1ua2 n ASN 297 Cb 0.52 -0.94 0.00 0.00 -1.54 0.00 0.00 39.78 37.82 1ua2 n ASN 297 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1ua2 n ARG 298 N -3.82 0.00 -1.70 3.52 5.12 -1.26 -4.51 116.66 114.01 1ua2 n ARG 298 Ca 0.15 0.10 -0.38 0.00 -1.93 0.00 0.00 57.85 55.79 1ua2 n ARG 298 Cb 0.53 -0.31 0.05 0.00 -1.16 0.00 0.00 32.46 31.58 1ua2 n ARG 298 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1ua2 n PRO 299 N -0.34 1.29 -3.06 5.56 -0.04 -1.26 -4.98 135.00 132.17 1ua2 n PRO 299 Ca 0.00 0.49 -0.28 0.00 -0.04 0.00 0.00 63.50 63.67 1ua2 n PRO 299 Cb 0.00 -2.45 -0.02 0.00 -0.04 0.00 0.00 33.50 30.99 1ua2 n PRO 299 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ua2 s GLY 300 N -1.15 1.74 -0.21 0.55 0.00 -1.26 -4.99 107.32 102.00 1ua2 s GLY 300 Ca 0.76 -0.49 -0.29 0.00 0.00 0.00 0.00 44.72 44.70 1ua2 s GLY 300 CO 0.46 -0.36 1.78 2.56 0.00 0.00 0.00 173.10 177.54 1ua2 s PRO 301 N -3.97 3.66 0.09 2.90 0.04 -1.26 -4.83 135.00 131.62 1ua2 s PRO 301 Ca 0.46 1.79 -0.33 0.00 0.04 0.00 0.00 61.00 62.96 1ua2 s PRO 301 Cb -0.10 -4.13 -0.12 0.00 0.04 0.00 0.00 34.50 30.19 1ua2 s PRO 301 CO 0.34 -1.47 1.74 0.25 0.04 0.00 0.00 177.00 177.90 1ua2 n THR 302 N 6.68 0.26 -1.56 1.26 -2.24 -1.25 -4.82 114.28 112.61 1ua2 n THR 302 Ca 0.21 -0.05 -0.36 0.00 -2.27 0.00 0.00 64.05 61.59 1ua2 n THR 302 Cb 0.45 -1.83 0.09 0.00 -2.10 0.00 0.00 70.33 66.93 1ua2 n THR 302 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1ua2 s PRO 303 N 2.28 2.28 0.00 -0.78 0.02 -1.26 -4.69 135.00 132.85 1ua2 s PRO 303 Ca 0.83 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1ua2 s PRO 303 Cb -0.61 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.08 1ua2 s PRO 303 CO 0.41 -1.78 0.00 0.41 -0.33 0.00 0.00 177.00 175.71 1ua2 n GLY 304 N 0.75 0.00 0.16 0.52 0.00 -1.26 -0.71 105.19 104.65 1ua2 n GLY 304 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1ua2 n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ua2 n GLN 306 N -0.29 2.21 -2.26 0.00 6.02 0.12 -4.90 117.38 118.27 1ua2 n GLN 306 Ca 0.02 -1.78 -0.32 0.00 -0.01 0.00 0.00 57.00 54.91 1ua2 n GLN 306 Cb 0.08 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 29.84 1ua2 n GLN 306 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ua2 s LEU 307 N -1.84 3.53 0.51 1.08 1.02 -1.19 -4.91 118.68 116.89 1ua2 s LEU 307 Ca 0.33 1.55 -0.21 0.00 0.02 0.00 0.00 54.13 55.82 1ua2 s LEU 307 Cb 0.21 -4.50 -0.07 0.00 0.02 0.00 0.00 46.19 41.85 1ua2 s LEU 307 CO 0.31 -0.69 1.13 -2.16 0.02 0.00 0.00 176.35 174.96 1ua2 s PRO 308 N -4.30 3.52 0.02 1.29 0.04 -1.26 -4.98 135.00 129.33 1ua2 s PRO 308 Ca 0.58 1.63 0.07 0.00 0.04 0.00 0.00 61.00 63.33 1ua2 s PRO 308 Cb -0.10 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1ua2 s PRO 308 CO 0.36 -0.72 -0.20 1.03 0.04 0.00 0.00 177.00 177.51 1ua2 s ARG 309 N -3.10 1.46 0.72 4.56 0.52 -1.26 -5.07 118.95 116.78 1ua2 s ARG 309 Ca 0.70 -0.84 -0.12 0.00 -0.52 0.00 0.00 55.73 54.95 1ua2 s ARG 309 Cb -0.25 -1.51 0.02 0.00 0.52 0.00 0.00 34.95 33.74 1ua2 s ARG 309 CO 0.28 0.40 1.11 -2.14 0.02 0.00 0.00 175.30 174.97 1ua2 s PRO 310 N -0.90 2.73 0.00 3.54 0.02 -1.26 -5.06 135.00 134.08 1ua2 s PRO 310 Ca 0.07 0.43 0.00 0.00 0.02 0.00 0.00 61.00 61.53 1ua2 s PRO 310 Cb -0.08 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1ua2 s PRO 310 CO 0.01 -1.12 0.39 0.09 -0.33 0.00 0.00 177.00 176.04