#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 0.62 0.19 5.31 5.02 -1.26 -3.15 118.16 124.89 1ua2 n LYS 14 Ca 0.00 -0.71 0.13 0.00 -2.02 0.00 0.00 58.31 55.71 1ua2 n LYS 14 Cb 0.00 -3.61 0.30 0.00 -0.02 0.00 0.00 35.03 31.69 1ua2 n LYS 14 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ua2 h LEU 15 N 21.99 0.00 -7.00 -0.35 6.46 -1.76 -3.48 115.31 131.18 1ua2 h LEU 15 Ca -0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1ua2 h LEU 15 Cb 1.05 0.00 -0.21 0.00 -0.73 0.00 0.00 40.66 40.77 1ua2 h LEU 15 CO 1.04 0.00 0.28 -1.81 -0.62 0.00 0.00 178.44 177.33 1ua2 s ASP 16 N -5.62 -0.59 -0.24 1.25 1.01 -0.83 -4.96 116.67 106.68 1ua2 s ASP 16 Ca 0.07 0.78 -0.13 0.00 0.71 0.00 0.00 52.55 53.99 1ua2 s ASP 16 Cb 0.08 0.67 -0.04 0.00 1.01 0.00 0.00 42.92 44.63 1ua2 s ASP 16 CO 0.63 -0.45 0.27 0.12 0.21 0.00 0.00 175.17 175.94 1ua2 s PHE 17 N -0.79 3.31 -0.11 4.23 5.36 -1.26 0.31 117.98 129.03 1ua2 s PHE 17 Ca -0.06 0.35 0.20 0.00 -0.96 0.00 0.00 56.93 56.46 1ua2 s PHE 17 Cb -0.01 -2.40 -0.29 0.00 -0.34 0.00 0.00 43.02 39.97 1ua2 s PHE 17 CO 0.05 -0.03 0.28 1.28 -1.46 0.00 0.00 175.22 175.34 1ua2 n LEU 18 N 4.60 0.00 0.00 6.12 4.77 -0.25 -4.88 117.00 127.36 1ua2 n LEU 18 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1ua2 n LEU 18 Cb 0.52 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1ua2 n LEU 18 CO 0.37 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1ua2 n GLY 19 N 1.52 4.15 3.83 -0.72 0.00 -1.21 -5.02 105.19 107.75 1ua2 n GLY 19 Ca -0.17 -1.56 -0.19 0.00 0.00 0.00 0.00 46.02 44.10 1ua2 n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ua2 n GLU 20 N -1.72 0.59 -3.64 1.61 0.00 -1.26 -1.37 120.64 114.85 1ua2 n GLU 20 Ca 0.00 -3.05 -0.09 0.00 0.00 0.00 0.00 57.16 54.02 1ua2 n GLU 20 Cb 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 31.44 31.12 1ua2 n GLU 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ua2 s GLY 21 N -4.60 -0.18 0.00 -1.84 0.00 0.59 -4.92 107.32 96.37 1ua2 s GLY 21 Ca 0.60 2.66 0.00 0.00 0.00 0.00 0.00 44.72 47.98 1ua2 s GLY 21 CO 0.38 1.92 0.00 -1.06 0.00 0.00 0.00 173.10 174.34 1ua2 n GLN 22 N 2.45 0.00 -0.26 2.90 6.02 -1.26 0.12 117.38 127.36 1ua2 n GLN 22 Ca -0.13 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 56.94 1ua2 n GLN 22 Cb 0.56 0.00 0.17 0.00 1.02 0.00 0.00 30.24 31.99 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 0.00 0.12 -3.56 1.08 3.01 -1.26 -3.93 117.46 112.91 1ua2 n PHE 23 Ca 0.00 -1.13 -0.09 0.00 1.01 0.00 0.00 57.45 57.24 1ua2 n PHE 23 Cb 0.00 -0.20 -0.04 0.00 -0.01 0.00 0.00 39.48 39.23 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 -2.98 -1.93 -0.05 4.37 0.00 0.33 -4.50 121.76 117.00 1ua2 s ALA 24 Ca 0.35 1.47 -0.00 0.00 0.00 0.00 0.00 51.96 53.77 1ua2 s ALA 24 Cb 0.31 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1ua2 s ALA 24 CO 0.01 -0.43 -0.00 0.99 0.00 0.00 0.00 175.76 176.33 1ua2 s THR 25 N -1.74 4.22 -0.18 0.00 2.01 -0.87 -0.30 115.64 118.78 1ua2 s THR 25 Ca 0.02 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.63 1ua2 s THR 25 Cb -0.01 -2.81 0.02 0.00 0.01 0.00 0.00 72.50 69.71 1ua2 s THR 25 CO -0.02 0.52 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.54 1ua2 s VAL 26 N -0.96 2.08 -0.20 3.82 1.01 -0.47 -0.83 120.40 124.85 1ua2 s VAL 26 Ca 0.16 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1ua2 s VAL 26 Cb -0.11 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1ua2 s VAL 26 CO 0.05 0.54 -0.06 -0.31 0.00 0.00 0.00 175.10 175.33 1ua2 s TYR 27 N 1.29 2.94 0.54 5.22 1.51 -0.48 -1.09 117.35 127.29 1ua2 s TYR 27 Ca 0.05 -0.84 -0.20 0.00 -1.01 0.00 0.00 57.07 55.07 1ua2 s TYR 27 Cb -0.13 -2.05 -0.06 0.00 -0.11 0.00 0.00 41.96 39.61 1ua2 s TYR 27 CO -0.13 -0.45 1.14 0.21 -1.11 0.00 0.00 175.55 175.21 1ua2 s LYS 28 N 1.20 3.35 -0.01 -0.62 2.20 0.15 -1.98 119.74 124.03 1ua2 s LYS 28 Ca 0.02 1.65 -0.29 0.00 -0.36 0.00 0.00 55.97 57.00 1ua2 s LYS 28 Cb -0.14 -2.03 0.10 0.00 -1.51 0.00 0.00 37.83 34.25 1ua2 s LYS 28 CO -0.02 -0.86 0.90 0.00 -0.36 0.00 0.00 175.35 175.01 1ua2 s ALA 29 N -1.73 -1.83 -0.27 3.13 0.00 -0.32 -1.96 121.76 118.78 1ua2 s ALA 29 Ca 0.73 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.74 1ua2 s ALA 29 Cb -0.25 0.40 0.07 0.00 0.00 0.00 0.00 23.12 23.33 1ua2 s ALA 29 CO 0.28 -0.69 -0.08 0.50 0.00 0.00 0.00 175.76 175.77 1ua2 s ARG 30 N -3.09 2.06 0.69 0.00 3.52 -1.19 0.10 118.95 121.04 1ua2 s ARG 30 Ca 0.05 -1.39 -0.11 0.00 -0.13 0.00 0.00 55.73 54.15 1ua2 s ARG 30 Cb -0.01 -2.90 0.02 0.00 -1.56 0.00 0.00 34.95 30.49 1ua2 s ARG 30 CO -0.09 -0.63 1.07 0.34 -0.81 0.00 0.00 175.30 175.18 1ua2 s ASP 31 N 1.10 5.42 -0.03 -2.12 -1.08 -1.26 -2.47 116.67 116.24 1ua2 s ASP 31 Ca -0.06 1.04 -0.37 0.00 -0.52 0.00 0.00 52.55 52.65 1ua2 s ASP 31 Cb -0.20 -1.86 -0.16 0.00 -1.46 0.00 0.00 42.92 39.25 1ua2 s ASP 31 CO -0.06 -1.32 1.53 2.29 0.52 0.00 0.00 175.17 178.13 1ua2 n LYS 32 N -2.95 1.35 0.00 4.34 2.85 -1.26 -3.19 118.16 119.29 1ua2 n LYS 32 Ca 0.07 0.49 0.00 0.00 -1.05 0.00 0.00 58.31 57.81 1ua2 n LYS 32 Cb 0.57 -2.17 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 1ua2 n LYS 32 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1ua2 n ASN 33 N 3.79 0.00 -4.38 -5.58 3.02 -1.26 -4.97 115.26 105.88 1ua2 n ASN 33 Ca 0.21 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.50 1ua2 n ASN 33 Cb 0.19 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.24 1ua2 n ASN 33 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ua2 s THR 34 N -2.66 2.14 0.22 3.41 2.01 -1.19 -4.99 115.64 114.58 1ua2 s THR 34 Ca 0.00 -1.85 -0.08 0.00 0.31 0.00 0.00 61.69 60.07 1ua2 s THR 34 Cb 0.00 -1.95 0.19 0.00 0.01 0.00 0.00 72.50 70.75 1ua2 s THR 34 CO 0.00 -0.07 1.83 0.78 -0.69 0.00 0.00 174.62 176.47 1ua2 h ASN 35 N 3.57 1.09 -3.36 3.53 -0.26 -1.99 -3.43 115.58 114.73 1ua2 h ASN 35 Ca -0.47 -0.12 -0.55 0.00 -0.56 0.00 0.00 56.30 54.60 1ua2 h ASN 35 Cb 1.19 -0.28 0.10 0.00 -1.06 0.00 0.00 38.32 38.27 1ua2 h ASN 35 CO 0.44 0.89 0.76 0.00 -1.06 0.00 0.00 177.43 178.46 1ua2 n GLN 36 N -4.34 2.51 -2.72 0.81 1.13 -1.26 -5.00 117.38 108.50 1ua2 n GLN 36 Ca 0.09 0.89 -0.43 0.00 -1.94 0.00 0.00 57.00 55.61 1ua2 n GLN 36 Cb 0.12 -2.61 -0.03 0.00 0.11 0.00 0.00 30.24 27.83 1ua2 n GLN 36 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ua2 s ILE 37 N -0.47 4.62 0.04 5.09 1.01 -1.26 -4.36 121.20 125.87 1ua2 s ILE 37 Ca 0.60 1.65 0.02 0.00 0.00 0.00 0.00 60.65 62.92 1ua2 s ILE 37 Cb -0.52 -4.32 -0.02 0.00 0.01 0.00 0.00 42.46 37.60 1ua2 s ILE 37 CO 0.55 -0.36 -0.07 0.68 0.00 0.00 0.00 174.94 175.74 1ua2 s VAL 38 N 3.38 0.50 -0.11 2.92 -7.23 0.28 -3.44 120.40 116.71 1ua2 s VAL 38 Ca 0.42 -1.06 -0.10 0.00 -1.81 0.00 0.00 61.98 59.42 1ua2 s VAL 38 Cb -0.13 -0.58 -0.05 0.00 0.56 0.00 0.00 36.38 36.18 1ua2 s VAL 38 CO 0.13 -0.39 0.23 0.00 -0.31 0.00 0.00 175.10 174.75 1ua2 s ALA 39 N -1.39 3.77 0.24 1.32 0.00 -0.73 -1.18 121.76 123.79 1ua2 s ALA 39 Ca -0.11 -0.52 0.10 0.00 0.00 0.00 0.00 51.96 51.44 1ua2 s ALA 39 Cb -0.10 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 1ua2 s ALA 39 CO 0.00 0.44 -0.12 0.42 0.00 0.00 0.00 175.76 176.51 1ua2 s ILE 40 N -0.62 2.94 -0.20 0.00 1.09 -0.84 0.03 121.20 123.60 1ua2 s ILE 40 Ca 0.16 -2.04 -0.01 0.00 -1.10 0.00 0.00 60.65 57.66 1ua2 s ILE 40 Cb -0.13 -2.52 0.06 0.00 -1.06 0.00 0.00 42.46 38.81 1ua2 s ILE 40 CO 0.05 -0.30 0.00 -0.54 -0.10 0.00 0.00 174.94 174.06 1ua2 s LYS 41 N -3.32 1.02 -0.22 2.79 1.02 -0.94 -1.38 119.74 118.71 1ua2 s LYS 41 Ca 0.28 -0.61 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 1ua2 s LYS 41 Cb -0.07 -2.25 0.01 0.00 -0.52 0.00 0.00 37.83 35.00 1ua2 s LYS 41 CO 0.16 -0.61 1.02 0.21 -0.92 0.00 0.00 175.35 175.21 1ua2 s LYS 42 N 1.69 4.26 0.00 1.68 2.20 -0.01 -2.91 119.74 126.66 1ua2 s LYS 42 Ca -0.02 1.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1ua2 s LYS 42 Cb -0.17 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 1ua2 s LYS 42 CO -0.07 -0.60 0.00 -0.89 -0.36 0.00 0.00 175.35 173.43 1ua2 n ILE 43 N 5.26 0.00 0.00 5.43 5.41 0.05 -2.05 119.36 133.46 1ua2 n ILE 43 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1ua2 n ILE 43 Cb 0.46 -0.05 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 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 -4.53 115.26 117.98 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 0.54 0.28 0.00 0.00 177.26 178.08 1ua2 n ARG 57 N 0.00 0.00 -0.27 3.52 1.74 -1.26 -3.75 116.66 116.64 1ua2 n ARG 57 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1ua2 n ARG 57 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 1ua2 n ARG 57 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1ua2 h THR 58 N 0.00 0.00 -1.01 0.55 2.02 -2.00 0.05 112.91 112.52 1ua2 h THR 58 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1ua2 h THR 58 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.34 1ua2 h THR 58 CO 0.00 0.00 0.65 0.00 0.37 0.00 0.00 175.52 176.54 1ua2 h ALA 59 N 0.05 1.41 -0.57 6.16 0.00 -1.80 -1.37 119.26 123.14 1ua2 h ALA 59 Ca 0.11 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1ua2 h ALA 59 Cb 0.38 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ua2 h ALA 59 CO -0.67 0.43 0.39 -0.07 0.00 0.00 0.00 179.25 179.33 1ua2 h LEU 60 N 1.17 0.27 0.11 0.00 3.38 -1.30 -1.01 115.31 117.93 1ua2 h LEU 60 Ca 0.44 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.24 1ua2 h LEU 60 Cb 0.19 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1ua2 h LEU 60 CO -0.18 0.16 -0.79 0.03 0.09 0.00 0.00 178.44 177.75 1ua2 h ARG 61 N 0.30 0.23 -0.05 1.13 3.08 -0.45 -2.98 114.38 115.64 1ua2 h ARG 61 Ca 0.27 -0.40 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1ua2 h ARG 61 Cb 0.65 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 1ua2 h ARG 61 CO -0.06 1.19 0.11 0.93 -1.07 0.00 0.00 179.97 181.07 1ua2 h GLU 62 N -0.49 0.00 0.38 0.04 4.39 -1.01 1.13 114.58 119.02 1ua2 h GLU 62 Ca -0.15 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 1ua2 h GLU 62 Cb 1.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 1ua2 h GLU 62 CO 0.10 0.00 -0.18 0.82 -1.16 0.00 0.00 179.01 178.59 1ua2 h ILE 63 N 0.00 0.00 -0.89 3.13 5.03 -1.28 -3.06 117.51 120.44 1ua2 h ILE 63 Ca 0.02 -0.41 0.11 0.00 -0.12 0.00 0.00 64.86 64.46 1ua2 h ILE 63 Cb 0.25 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 33.96 1ua2 h ILE 63 CO -0.00 0.00 0.53 0.11 -0.68 0.00 0.00 178.15 178.11 1ua2 h LYS 64 N -0.92 0.83 0.11 2.37 1.79 -0.47 -1.02 116.57 119.25 1ua2 h LYS 64 Ca -0.05 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1ua2 h LYS 64 Cb 0.39 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 1ua2 h LYS 64 CO 0.09 0.55 -0.30 1.25 -1.08 0.00 0.00 179.45 179.95 1ua2 h LEU 65 N 0.85 -0.86 0.89 2.94 5.85 0.99 0.33 115.31 126.30 1ua2 h LEU 65 Ca 0.44 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 59.22 1ua2 h LEU 65 Cb 0.44 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1ua2 h LEU 65 CO -0.26 -0.39 -0.47 0.25 -0.34 0.00 0.00 178.44 177.22 1ua2 h LEU 66 N -0.51 -1.16 -0.74 2.25 5.85 -1.12 -0.93 115.31 118.96 1ua2 h LEU 66 Ca 0.03 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.90 1ua2 h LEU 66 Cb 0.55 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 41.79 1ua2 h LEU 66 CO -0.18 -0.77 -0.36 0.00 -0.34 0.00 0.00 178.44 176.79 1ua2 n GLN 67 N -5.51 -0.25 0.04 1.25 6.02 -0.59 0.11 117.38 118.46 1ua2 n GLN 67 Ca -0.15 1.12 0.09 0.00 -0.01 0.00 0.00 57.00 58.05 1ua2 n GLN 67 Cb 0.51 -1.66 0.53 0.00 1.02 0.00 0.00 30.24 30.64 1ua2 n GLN 67 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ua2 h GLU 68 N 0.00 0.30 -7.06 -1.09 5.08 0.06 -3.43 114.58 108.44 1ua2 h GLU 68 Ca 0.19 -0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.99 1ua2 h GLU 68 Cb 0.37 -0.07 0.13 0.00 0.50 0.00 0.00 28.75 29.68 1ua2 h GLU 68 CO -0.71 0.20 0.55 -0.51 -1.00 0.00 0.00 179.01 177.54 1ua2 s LEU 69 N -9.26 3.79 -0.18 1.33 1.43 0.30 -5.02 118.68 111.07 1ua2 s LEU 69 Ca -0.07 2.61 -0.04 0.00 -1.03 0.00 0.00 54.13 55.60 1ua2 s LEU 69 Cb 0.18 -4.38 0.09 0.00 0.03 0.00 0.00 46.19 42.10 1ua2 s LEU 69 CO 0.72 -1.56 0.28 -0.55 0.23 0.00 0.00 176.35 175.47 1ua2 s SER 70 N -1.20 0.63 -0.27 2.29 0.15 -1.26 -4.91 113.70 109.14 1ua2 s SER 70 Ca 0.73 0.29 -0.24 0.00 0.70 0.00 0.00 55.95 57.43 1ua2 s SER 70 Cb -0.36 0.70 0.07 0.00 -1.71 0.00 0.00 66.02 64.72 1ua2 s SER 70 CO 0.42 -0.28 0.71 -2.28 1.20 0.00 0.00 173.24 173.01 1ua2 s HIS 71 N 2.42 -0.79 -0.16 3.44 5.04 -1.26 -5.01 115.29 118.96 1ua2 s HIS 71 Ca 0.05 1.91 0.19 0.00 -1.54 0.00 0.00 55.06 55.67 1ua2 s HIS 71 Cb -0.14 0.28 1.06 0.00 0.04 0.00 0.00 32.58 33.82 1ua2 s HIS 71 CO -0.11 -0.38 1.57 -0.35 -2.34 0.00 0.00 174.74 173.13 1ua2 n PRO 72 N 2.76 0.13 -0.00 2.88 -0.04 -1.26 -2.43 135.00 137.04 1ua2 n PRO 72 Ca -0.14 0.62 0.04 0.00 -0.04 0.00 0.00 63.50 63.98 1ua2 n PRO 72 Cb 0.55 -1.98 -0.05 0.00 -0.04 0.00 0.00 33.50 31.98 1ua2 n PRO 72 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ua2 n ASN 73 N -2.20 1.65 -4.86 3.54 5.03 -1.26 -4.73 115.26 112.43 1ua2 n ASN 73 Ca -0.01 -0.37 -0.33 0.00 0.87 0.00 0.00 54.58 54.73 1ua2 n ASN 73 Cb 0.10 1.16 -0.06 0.00 -1.02 0.00 0.00 39.78 39.96 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 -2.08 4.85 0.30 2.41 -1.09 -1.02 0.32 121.20 124.89 1ua2 s ILE 74 Ca 0.00 0.69 -0.28 0.00 -2.23 0.00 0.00 60.65 58.84 1ua2 s ILE 74 Cb 0.05 -3.66 -0.09 0.00 -1.58 0.00 0.00 42.46 37.18 1ua2 s ILE 74 CO 0.31 0.01 0.99 -0.51 -1.23 0.00 0.00 174.94 174.51 1ua2 s ILE 75 N -1.73 3.97 -0.05 2.92 2.07 -1.06 -4.50 121.20 122.82 1ua2 s ILE 75 Ca 0.46 1.78 -0.30 0.00 -1.41 0.00 0.00 60.65 61.18 1ua2 s ILE 75 Cb -0.12 -4.06 -0.03 0.00 0.13 0.00 0.00 42.46 38.37 1ua2 s ILE 75 CO 0.20 0.28 1.19 -0.83 -1.91 0.00 0.00 174.94 173.87 1ua2 s GLY 76 N -1.33 2.14 -0.60 1.50 0.00 -1.26 -4.95 107.32 102.81 1ua2 s GLY 76 Ca 0.47 0.63 -0.25 0.00 0.00 0.00 0.00 44.72 45.57 1ua2 s GLY 76 CO 0.30 2.18 1.03 -2.27 0.00 0.00 0.00 173.10 174.35 1ua2 s LEU 77 N 2.12 3.91 0.13 0.66 2.96 -1.26 -3.04 118.68 124.17 1ua2 s LEU 77 Ca 0.56 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 1ua2 s LEU 77 Cb -0.25 -2.78 -0.13 0.00 0.50 0.00 0.00 46.19 43.53 1ua2 s LEU 77 CO 0.22 -1.39 1.29 -0.07 -1.32 0.00 0.00 176.35 175.08 1ua2 h LEU 78 N 11.48 0.20 -7.00 -0.68 4.07 -1.18 -3.42 115.31 118.78 1ua2 h LEU 78 Ca -0.27 -0.19 -0.03 0.00 0.08 0.00 0.00 57.88 57.47 1ua2 h LEU 78 Cb 1.07 -0.06 -0.21 0.00 1.08 0.00 0.00 40.66 42.54 1ua2 h LEU 78 CO 1.15 1.08 0.21 -0.62 -1.08 0.00 0.00 178.44 179.18 1ua2 s ASP 79 N -6.91 -0.66 -0.25 -0.43 -1.08 -0.81 -5.03 116.67 101.51 1ua2 s ASP 79 Ca -0.02 1.01 0.01 0.00 -0.52 0.00 0.00 52.55 53.03 1ua2 s ASP 79 Cb 0.09 0.93 0.04 0.00 -1.46 0.00 0.00 42.92 42.52 1ua2 s ASP 79 CO 0.84 -0.41 -0.10 0.00 0.52 0.00 0.00 175.17 176.02 1ua2 s ALA 80 N -0.44 2.59 -0.02 3.66 0.00 -1.26 -1.13 121.76 125.16 1ua2 s ALA 80 Ca -0.05 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.36 1ua2 s ALA 80 Cb -0.02 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1ua2 s ALA 80 CO 0.05 -0.94 -0.09 -0.59 0.00 0.00 0.00 175.76 174.19 1ua2 s PHE 81 N 1.22 0.93 0.11 0.00 -0.12 -1.18 -5.07 117.98 113.87 1ua2 s PHE 81 Ca -0.03 -0.23 -0.03 0.00 -0.05 0.00 0.00 56.93 56.59 1ua2 s PHE 81 Cb -0.18 -0.66 -0.03 0.00 -0.63 0.00 0.00 43.02 41.52 1ua2 s PHE 81 CO -0.06 -0.09 0.09 0.20 -0.05 0.00 0.00 175.22 175.31 1ua2 s GLY 82 N 0.16 0.67 0.00 1.99 0.00 -1.26 -2.62 107.32 106.26 1ua2 s GLY 82 Ca -0.03 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1ua2 s GLY 82 CO 0.00 -1.20 0.00 1.57 0.00 0.00 0.00 173.10 173.48 1ua2 n HIS 83 N -0.06 0.00 -0.07 1.90 -0.00 -1.02 -4.99 115.22 110.98 1ua2 n HIS 83 Ca -0.09 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.98 1ua2 n HIS 83 Cb 0.63 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.44 1ua2 n HIS 83 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1ua2 n LYS 84 N 0.00 0.33 -0.18 1.57 0.00 -1.26 -4.74 118.16 113.88 1ua2 n LYS 84 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 58.31 58.38 1ua2 n LYS 84 Cb 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 35.03 33.89 1ua2 n LYS 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1ua2 h SER 85 N -0.17 -0.54 -4.64 3.14 4.64 -2.02 -3.44 113.55 110.52 1ua2 h SER 85 Ca -0.32 0.17 -0.25 0.00 -0.47 0.00 0.00 61.79 60.91 1ua2 h SER 85 Cb 1.42 0.35 -0.15 0.00 -0.31 0.00 0.00 62.40 63.71 1ua2 h SER 85 CO -0.10 -0.19 -0.67 0.20 -0.87 0.00 0.00 176.83 175.19 1ua2 s ASN 86 N -5.22 1.09 -0.04 4.97 0.01 -1.26 -5.05 114.94 109.44 1ua2 s ASN 86 Ca -0.14 -1.11 0.05 0.00 -0.71 0.00 0.00 52.86 50.95 1ua2 s ASN 86 Cb 0.17 0.13 -0.01 0.00 0.41 0.00 0.00 41.25 41.95 1ua2 s ASN 86 CO 0.72 -0.54 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.96 1ua2 s ILE 87 N -3.68 1.51 -0.05 0.60 1.09 -1.26 -2.43 121.20 116.98 1ua2 s ILE 87 Ca 0.19 -0.78 0.06 0.00 -1.10 0.00 0.00 60.65 59.03 1ua2 s ILE 87 Cb 0.06 -1.28 -0.01 0.00 -1.06 0.00 0.00 42.46 40.17 1ua2 s ILE 87 CO 0.00 0.43 -0.25 -0.44 -0.10 0.00 0.00 174.94 174.58 1ua2 s SER 88 N -0.12 3.11 -0.11 3.58 0.01 -1.08 -0.77 113.70 118.32 1ua2 s SER 88 Ca -0.00 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 1ua2 s SER 88 Cb -0.10 -0.76 0.03 0.00 0.21 0.00 0.00 66.02 65.40 1ua2 s SER 88 CO 0.01 0.26 -0.02 -0.76 0.41 0.00 0.00 173.24 173.14 1ua2 s LEU 89 N -0.26 0.91 -0.45 2.44 1.43 -1.15 -3.10 118.68 118.51 1ua2 s LEU 89 Ca -0.01 -0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 52.65 1ua2 s LEU 89 Cb -0.13 -0.61 0.05 0.00 0.03 0.00 0.00 46.19 45.52 1ua2 s LEU 89 CO 0.03 -0.18 0.40 0.54 0.23 0.00 0.00 176.35 177.36 1ua2 s VAL 90 N 1.85 5.18 0.31 -1.59 0.11 -0.28 -2.21 120.40 123.78 1ua2 s VAL 90 Ca 0.04 -0.77 0.04 0.00 -2.93 0.00 0.00 61.98 58.36 1ua2 s VAL 90 Cb -0.13 -4.07 -0.02 0.00 -1.53 0.00 0.00 36.38 30.62 1ua2 s VAL 90 CO -0.07 -0.50 0.46 -0.36 -3.33 0.00 0.00 175.10 171.31 1ua2 s PHE 91 N 1.84 3.34 0.79 1.54 0.40 0.10 -0.60 117.98 125.39 1ua2 s PHE 91 Ca 0.07 0.03 -0.13 0.00 -0.60 0.00 0.00 56.93 56.30 1ua2 s PHE 91 Cb -0.21 -1.84 0.07 0.00 0.51 0.00 0.00 43.02 41.55 1ua2 s PHE 91 CO 0.09 0.16 1.18 0.16 0.70 0.00 0.00 175.22 177.51 1ua2 s ASP 92 N -4.07 3.84 -0.41 1.36 -4.77 -1.17 -1.78 116.67 109.67 1ua2 s ASP 92 Ca 0.40 2.27 -0.27 0.00 -3.30 0.00 0.00 52.55 51.65 1ua2 s ASP 92 Cb -0.09 -2.58 0.02 0.00 -1.09 0.00 0.00 42.92 39.18 1ua2 s ASP 92 CO 0.32 -2.50 0.99 0.12 0.70 0.00 0.00 175.17 174.80 1ua2 s PHE 93 N -2.25 2.99 0.09 2.11 5.36 -1.22 -4.28 117.98 120.77 1ua2 s PHE 93 Ca 0.71 0.72 -0.14 0.00 -0.96 0.00 0.00 56.93 57.26 1ua2 s PHE 93 Cb -0.26 -3.90 -0.06 0.00 -0.34 0.00 0.00 43.02 38.45 1ua2 s PHE 93 CO 0.50 -0.98 0.49 -1.64 -1.46 0.00 0.00 175.22 172.13 1ua2 s MET 94 N 3.77 3.96 -0.01 10.12 -1.94 -1.26 -4.76 119.30 129.19 1ua2 s MET 94 Ca 0.41 0.46 -0.19 0.00 -1.71 0.00 0.00 55.69 54.66 1ua2 s MET 94 Cb -0.10 -3.06 -0.10 0.00 2.01 0.00 0.00 34.83 33.57 1ua2 s MET 94 CO 0.23 0.57 0.85 1.49 -0.01 0.00 0.00 175.02 178.15 1ua2 h GLU 95 N 4.01 -0.65 0.00 2.03 4.81 0.78 -3.47 114.58 122.09 1ua2 h GLU 95 Ca -0.50 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1ua2 h GLU 95 Cb 1.20 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1ua2 h GLU 95 CO 0.64 -0.43 0.00 0.25 -0.73 0.00 0.00 179.01 178.74 1ua2 n THR 96 N -4.86 0.00 -4.10 0.32 -2.24 -1.03 -5.01 114.28 97.36 1ua2 n THR 96 Ca -0.08 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 1ua2 n THR 96 Cb 0.27 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 1ua2 n THR 96 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ua2 s ASP 97 N 1.00 0.35 0.00 3.42 1.47 -1.26 -0.57 116.67 121.09 1ua2 s ASP 97 Ca 0.00 -1.26 0.13 0.00 1.18 0.00 0.00 52.55 52.60 1ua2 s ASP 97 Cb 0.00 0.55 0.62 0.00 -0.34 0.00 0.00 42.92 43.75 1ua2 s ASP 97 CO 0.00 -1.09 1.37 -0.11 0.68 0.00 0.00 175.17 176.01 1ua2 n LEU 98 N -0.41 0.00 0.06 2.11 7.94 0.26 -1.98 117.00 124.97 1ua2 n LEU 98 Ca 0.01 0.37 -0.16 0.00 -1.11 0.00 0.00 56.01 55.11 1ua2 n LEU 98 Cb 0.63 -0.37 -0.07 0.00 0.53 0.00 0.00 43.42 44.14 1ua2 n LEU 98 CO 0.28 -0.21 0.14 -0.08 -1.11 0.00 0.00 177.39 176.41 1ua2 h GLU 99 N 0.00 0.54 0.14 1.96 4.81 -1.76 -3.16 114.58 117.11 1ua2 h GLU 99 Ca 0.00 -0.58 -0.29 0.00 -0.13 0.00 0.00 59.36 58.36 1ua2 h GLU 99 Cb 0.16 0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.71 1ua2 h GLU 99 CO 0.00 1.20 -1.35 -0.24 -0.73 0.00 0.00 179.01 177.89 1ua2 h VAL 100 N 0.30 1.39 -0.34 0.32 3.04 -1.69 0.92 116.25 120.19 1ua2 h VAL 100 Ca -0.10 -2.95 0.07 0.00 -1.01 0.00 0.00 66.70 62.71 1ua2 h VAL 100 Cb 1.62 2.91 -0.09 0.00 -2.01 0.00 0.00 31.29 33.73 1ua2 h VAL 100 CO 0.18 0.87 -0.33 0.40 -1.01 0.00 0.00 177.57 177.67 1ua2 h ILE 101 N 0.08 0.23 0.12 3.17 1.08 -1.67 -2.82 117.51 117.71 1ua2 h ILE 101 Ca -0.18 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1ua2 h ILE 101 Cb 2.01 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 1ua2 h ILE 101 CO 0.20 0.00 -0.06 0.40 -0.69 0.00 0.00 178.15 178.00 1ua2 h ILE 102 N -0.29 0.00 -0.79 -0.67 2.04 -1.58 -3.37 117.51 112.85 1ua2 h ILE 102 Ca 0.15 -0.03 -0.71 0.00 1.00 0.00 0.00 64.86 65.27 1ua2 h ILE 102 Cb 0.54 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1ua2 h ILE 102 CO -0.50 0.00 1.33 1.17 0.00 0.00 0.00 178.15 180.15 1ua2 n LYS 103 N -2.51 0.74 -0.09 2.37 3.00 0.32 -1.79 118.16 120.19 1ua2 n LYS 103 Ca -0.02 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1ua2 n LYS 103 Cb 0.06 -2.12 0.00 0.00 0.00 0.00 0.00 35.03 32.98 1ua2 n LYS 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ua2 n ASP 104 N 8.63 0.00 -3.67 3.14 8.00 -1.26 -4.66 116.55 126.73 1ua2 n ASP 104 Ca 0.44 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.52 1ua2 n ASP 104 Cb 0.13 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 40.77 1ua2 n ASP 104 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ua2 n ASN 105 N 2.48 3.66 0.13 -2.24 2.85 -0.74 -4.48 115.26 116.91 1ua2 n ASN 105 Ca 0.00 -2.77 0.07 0.00 -0.11 0.00 0.00 54.58 51.78 1ua2 n ASN 105 Cb 0.00 -1.47 0.56 0.00 1.24 0.00 0.00 39.78 40.11 1ua2 n ASN 105 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1ua2 h SER 106 N 6.57 0.20 -0.59 1.20 0.02 -1.83 0.20 113.55 119.32 1ua2 h SER 106 Ca 0.53 -0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.60 1ua2 h SER 106 Cb 0.62 -0.05 -0.10 0.00 0.14 0.00 0.00 62.40 63.02 1ua2 h SER 106 CO 1.90 0.14 -0.02 0.25 -1.14 0.00 0.00 176.83 177.96 1ua2 h LEU 107 N 0.23 -0.29 -9.83 5.07 5.85 -1.96 -3.43 115.31 110.95 1ua2 h LEU 107 Ca 0.09 0.15 -0.48 0.00 0.84 0.00 0.00 57.88 58.48 1ua2 h LEU 107 Cb 0.07 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1ua2 h LEU 107 CO -0.02 -0.11 0.35 -0.69 -0.34 0.00 0.00 178.44 177.63 1ua2 s VAL 108 N -6.16 4.12 -0.09 1.05 1.01 0.70 -5.06 120.40 115.96 1ua2 s VAL 108 Ca -0.14 1.91 0.04 0.00 0.00 0.00 0.00 61.98 63.79 1ua2 s VAL 108 Cb 0.18 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 1ua2 s VAL 108 CO 0.73 0.28 -0.22 -0.76 0.00 0.00 0.00 175.10 175.13 1ua2 s LEU 109 N -1.71 2.20 -0.23 3.92 1.43 -1.26 -4.94 118.68 118.08 1ua2 s LEU 109 Ca 0.47 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1ua2 s LEU 109 Cb -0.22 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.61 1ua2 s LEU 109 CO 0.27 0.18 -0.13 0.42 0.23 0.00 0.00 176.35 177.32 1ua2 s THR 110 N 0.22 2.21 -0.16 5.49 -4.23 -1.26 -4.94 115.64 112.97 1ua2 s THR 110 Ca -0.14 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.07 1ua2 s THR 110 Cb -0.17 -2.16 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 1ua2 s THR 110 CO 0.07 0.18 0.16 -0.81 -0.54 0.00 0.00 174.62 173.69 1ua2 n PRO 111 N 4.52 4.42 0.00 3.99 -0.04 -1.26 -4.85 135.00 141.78 1ua2 n PRO 111 Ca -0.17 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1ua2 n PRO 111 Cb 0.45 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 33.12 1ua2 n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ua2 n SER 112 N -1.22 0.00 -0.13 3.54 2.88 -1.26 -4.79 113.62 112.63 1ua2 n SER 112 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1ua2 n SER 112 Cb 0.08 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.60 1ua2 n SER 112 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1ua2 h HIS 113 N 0.00 1.00 -0.10 0.66 3.86 -1.90 -2.67 115.15 115.99 1ua2 h HIS 113 Ca 0.00 -0.21 0.03 0.00 -1.16 0.00 0.00 60.37 59.03 1ua2 h HIS 113 Cb 0.00 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.16 1ua2 h HIS 113 CO 0.00 0.97 -0.53 0.82 0.86 0.00 0.00 177.93 180.05 1ua2 h ILE 114 N 0.79 0.02 -0.89 2.45 2.04 -1.89 0.29 117.51 120.33 1ua2 h ILE 114 Ca 0.12 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.15 1ua2 h ILE 114 Cb 0.67 0.02 -0.16 0.00 -0.74 0.00 0.00 36.82 36.61 1ua2 h ILE 114 CO 0.05 0.00 -0.28 0.50 0.00 0.00 0.00 178.15 178.42 1ua2 h LYS 115 N -0.59 -0.02 -0.59 2.37 3.64 -1.93 0.58 116.57 120.02 1ua2 h LYS 115 Ca 0.03 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1ua2 h LYS 115 Cb 0.69 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 1ua2 h LYS 115 CO -0.42 -0.01 0.29 0.00 -2.27 0.00 0.00 179.45 177.04 1ua2 h ALA 116 N 1.68 0.77 -0.24 5.00 0.00 -1.13 0.21 119.26 125.56 1ua2 h ALA 116 Ca 0.39 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 55.14 1ua2 h ALA 116 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ua2 h ALA 116 CO -0.92 -0.08 -0.65 1.88 0.00 0.00 0.00 179.25 179.49 1ua2 h TYR 117 N 0.53 1.10 -0.36 0.00 0.99 0.77 -2.16 116.97 117.85 1ua2 h TYR 117 Ca 0.28 -0.43 -0.07 0.00 2.00 0.00 0.00 58.73 60.50 1ua2 h TYR 117 Cb 0.23 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 37.75 1ua2 h TYR 117 CO -0.11 1.27 -0.08 0.52 -0.00 0.00 0.00 178.16 179.75 1ua2 h MET 118 N 0.62 0.60 0.13 4.88 2.86 0.54 -1.55 114.93 123.02 1ua2 h MET 118 Ca -0.01 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1ua2 h MET 118 Cb 1.27 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1ua2 h MET 118 CO 0.14 0.68 -0.06 1.25 1.06 0.00 0.00 176.91 179.98 1ua2 h LEU 119 N 0.56 -0.15 -0.13 1.22 6.46 -0.45 0.50 115.31 123.31 1ua2 h LEU 119 Ca 0.10 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1ua2 h LEU 119 Cb 0.48 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1ua2 h LEU 119 CO 0.03 0.08 0.02 0.24 -0.62 0.00 0.00 178.44 178.18 1ua2 h MET 120 N -0.38 0.22 -0.05 1.25 2.86 -1.26 -0.52 114.93 117.05 1ua2 h MET 120 Ca -0.02 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1ua2 h MET 120 Cb 0.31 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1ua2 h MET 120 CO 0.03 0.41 -0.07 1.15 1.06 0.00 0.00 176.91 179.49 1ua2 h THR 121 N -0.01 0.00 -1.00 2.22 2.02 -1.31 -2.16 112.91 112.67 1ua2 h THR 121 Ca 0.04 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.43 1ua2 h THR 121 Cb 0.30 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.60 1ua2 h THR 121 CO 0.00 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.44 1ua2 h LEU 122 N -0.05 0.70 -0.22 2.58 3.38 -0.63 -0.83 115.31 120.24 1ua2 h LEU 122 Ca 0.01 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ua2 h LEU 122 Cb 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ua2 h LEU 122 CO -0.07 0.21 0.12 1.56 0.09 0.00 0.00 178.44 180.35 1ua2 h GLN 123 N 0.66 0.30 -0.39 1.13 4.20 -0.85 0.55 115.11 120.72 1ua2 h GLN 123 Ca 0.59 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 59.16 1ua2 h GLN 123 Cb 1.05 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1ua2 h GLN 123 CO -0.38 0.29 -0.18 0.78 -0.67 0.00 0.00 178.83 178.67 1ua2 h GLY 124 N 0.24 0.79 0.83 3.46 0.00 -0.56 -0.04 103.07 107.79 1ua2 h GLY 124 Ca 0.08 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 1ua2 h GLY 124 CO -0.01 0.58 -0.05 -2.00 0.00 0.00 0.00 176.54 175.05 1ua2 h LEU 125 N 0.65 0.45 -0.73 3.11 6.46 -1.00 0.15 115.31 124.41 1ua2 h LEU 125 Ca 0.10 -0.36 0.16 0.00 -0.12 0.00 0.00 57.88 57.66 1ua2 h LEU 125 Cb 0.66 -0.12 -0.13 0.00 -0.73 0.00 0.00 40.66 40.34 1ua2 h LEU 125 CO 0.05 0.71 -0.03 -0.08 -0.62 0.00 0.00 178.44 178.47 1ua2 h GLU 126 N 0.19 0.08 0.79 1.25 4.81 0.41 0.34 114.58 122.44 1ua2 h GLU 126 Ca 0.06 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1ua2 h GLU 126 Cb 0.51 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1ua2 h GLU 126 CO 0.02 0.05 -0.44 -0.92 -0.73 0.00 0.00 179.01 176.99 1ua2 h TYR 127 N 0.08 -1.17 -0.70 0.92 3.20 0.17 0.17 116.97 119.65 1ua2 h TYR 127 Ca 0.39 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.38 1ua2 h TYR 127 Cb 0.66 0.41 -0.13 0.00 1.54 0.00 0.00 36.73 39.20 1ua2 h TYR 127 CO -0.44 -0.68 -0.12 -0.07 -1.64 0.00 0.00 178.16 175.21 1ua2 h LEU 128 N -1.14 -0.56 -1.08 2.82 3.38 -0.01 0.47 115.31 119.19 1ua2 h LEU 128 Ca -0.11 0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1ua2 h LEU 128 Cb 0.90 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1ua2 h LEU 128 CO 0.14 -0.21 -0.08 0.45 0.09 0.00 0.00 178.44 178.82 1ua2 h HIS 129 N 0.03 0.59 -1.00 1.13 3.86 0.20 -0.08 115.15 119.87 1ua2 h HIS 129 Ca 0.35 -0.08 0.15 0.00 -1.16 0.00 0.00 60.37 59.63 1ua2 h HIS 129 Cb 0.56 -0.16 -0.09 0.00 1.06 0.00 0.00 27.41 28.78 1ua2 h HIS 129 CO -0.52 0.62 0.62 0.37 0.86 0.00 0.00 177.93 179.89 1ua2 h GLN 130 N 0.51 0.87 -0.82 2.45 5.75 0.16 -2.54 115.11 121.48 1ua2 h GLN 130 Ca 0.10 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.48 1ua2 h GLN 130 Cb 0.46 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 1ua2 h GLN 130 CO 0.02 0.57 0.09 0.72 -2.65 0.00 0.00 178.83 177.58 1ua2 n HIS 131 N -4.69 1.29 -3.88 3.99 8.25 -0.13 -4.90 115.22 115.15 1ua2 n HIS 131 Ca 0.21 -0.60 -0.30 0.00 -0.26 0.00 0.00 57.72 56.77 1ua2 n HIS 131 Cb 0.45 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 0.17 -1.70 -4.14 4.41 7.02 -0.96 -4.97 117.44 117.27 1ua2 n TRP 132 Ca 0.20 0.58 -0.25 0.00 -1.02 0.00 0.00 57.50 57.01 1ua2 n TRP 132 Cb 0.87 -3.52 -0.17 0.00 -2.42 0.00 0.00 31.31 26.07 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 -3.77 0.93 -0.16 -0.99 1.01 -0.68 -5.02 121.20 112.53 1ua2 s ILE 133 Ca 0.21 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.50 1ua2 s ILE 133 Cb -0.08 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 1ua2 s ILE 133 CO 0.89 0.33 0.10 -0.76 0.00 0.00 0.00 174.94 175.50 1ua2 s LEU 134 N 1.29 4.08 -1.23 2.97 1.02 -1.26 -3.67 118.68 121.88 1ua2 s LEU 134 Ca -0.03 0.25 -0.11 0.00 0.02 0.00 0.00 54.13 54.25 1ua2 s LEU 134 Cb -0.14 -2.02 0.18 0.00 0.02 0.00 0.00 46.19 44.24 1ua2 s LEU 134 CO -0.03 0.27 1.60 1.57 0.02 0.00 0.00 176.35 179.78 1ua2 n HIS 135 N 2.93 3.98 0.36 0.29 -0.00 -1.26 -4.86 115.22 116.66 1ua2 n HIS 135 Ca -0.18 -3.11 0.00 0.00 0.46 0.00 0.00 57.72 54.90 1ua2 n HIS 135 Cb 0.53 -2.00 0.00 0.00 -0.12 0.00 0.00 29.99 28.40 1ua2 n HIS 135 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1ua2 n ARG 136 N 4.46 0.36 -2.95 1.57 1.74 -1.26 -3.51 116.66 117.07 1ua2 n ARG 136 Ca 0.37 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.30 1ua2 n ARG 136 Cb 0.39 -1.24 0.01 0.00 -1.02 0.00 0.00 32.46 30.60 1ua2 n ARG 136 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ua2 n ASP 137 N 0.54 -1.18 -4.69 0.55 2.03 -1.26 -5.03 116.55 107.51 1ua2 n ASP 137 Ca 0.00 -3.17 -0.36 0.00 0.52 0.00 0.00 54.79 51.77 1ua2 n ASP 137 Cb 0.13 0.69 -0.08 0.00 -0.72 0.00 0.00 41.12 41.13 1ua2 n ASP 137 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1ua2 s LEU 138 N -1.55 4.16 -0.08 -2.67 2.96 -1.23 -4.85 118.68 115.43 1ua2 s LEU 138 Ca 0.32 0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 54.18 1ua2 s LEU 138 Cb 0.25 -2.19 0.12 0.00 0.50 0.00 0.00 46.19 44.87 1ua2 s LEU 138 CO -0.13 0.08 0.98 -1.59 -1.32 0.00 0.00 176.35 174.36 1ua2 s LYS 139 N 0.82 0.67 0.25 1.98 -2.85 -1.26 -4.80 119.74 114.55 1ua2 s LYS 139 Ca 0.10 -0.15 -0.07 0.00 -1.00 0.00 0.00 55.97 54.86 1ua2 s LYS 139 Cb -0.13 0.31 0.45 0.00 -2.06 0.00 0.00 37.83 36.40 1ua2 s LYS 139 CO 0.03 -0.27 1.61 -1.35 0.10 0.00 0.00 175.35 175.47 1ua2 h PRO 140 N 2.15 0.06 0.00 1.78 0.11 -1.95 0.63 132.00 134.78 1ua2 h PRO 140 Ca -0.19 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1ua2 h PRO 140 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ua2 h PRO 140 CO 0.29 0.04 0.00 -2.95 -0.21 0.00 0.00 178.00 175.17 1ua2 h ASN 141 N 0.06 0.00 0.02 -2.05 -1.07 -1.92 -1.41 115.58 109.21 1ua2 h ASN 141 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.80 1ua2 h ASN 141 Cb 0.75 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.00 1ua2 h ASN 141 CO -0.75 0.00 -0.02 0.59 0.07 0.00 0.00 177.43 177.32 1ua2 n ASN 142 N -2.50 1.17 -4.31 6.14 3.02 0.22 -4.43 115.26 114.56 1ua2 n ASN 142 Ca 0.00 -1.33 -0.46 0.00 -0.03 0.00 0.00 54.58 52.76 1ua2 n ASN 142 Cb 0.18 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 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 -2.05 6.50 0.02 3.41 1.43 -0.55 -0.21 118.68 127.22 1ua2 s LEU 143 Ca 0.38 -2.41 -0.10 0.00 -1.03 0.00 0.00 54.13 50.97 1ua2 s LEU 143 Cb 0.21 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1ua2 s LEU 143 CO 0.36 -0.65 0.34 -0.76 0.23 0.00 0.00 176.35 175.87 1ua2 s LEU 144 N 0.61 4.40 0.22 1.79 1.43 0.56 0.93 118.68 128.61 1ua2 s LEU 144 Ca 0.13 0.75 0.10 0.00 -1.03 0.00 0.00 54.13 54.09 1ua2 s LEU 144 Cb -0.17 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1ua2 s LEU 144 CO -0.05 0.26 -0.14 -0.76 0.23 0.00 0.00 176.35 175.90 1ua2 s LEU 145 N -1.52 2.79 0.00 1.79 1.43 0.27 0.12 118.68 123.56 1ua2 s LEU 145 Ca 0.27 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1ua2 s LEU 145 Cb -0.14 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.66 1ua2 s LEU 145 CO 0.14 0.08 0.07 -0.90 0.23 0.00 0.00 176.35 175.97 1ua2 n ASP 146 N -0.20 2.89 -0.31 2.29 5.68 -1.16 0.13 116.55 125.87 1ua2 n ASP 146 Ca -0.09 -2.61 0.07 0.00 -0.50 0.00 0.00 54.79 51.66 1ua2 n ASP 146 Cb 0.57 0.20 0.15 0.00 -1.14 0.00 0.00 41.12 40.90 1ua2 n ASP 146 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1ua2 n GLU 147 N -1.06 -0.08 0.00 0.11 4.07 -1.26 0.91 120.64 123.33 1ua2 n GLU 147 Ca -0.13 1.35 0.09 0.00 -0.06 0.00 0.00 57.16 58.41 1ua2 n GLU 147 Cb 0.48 -2.04 0.51 0.00 -0.06 0.00 0.00 31.44 30.33 1ua2 n GLU 147 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1ua2 n ASN 148 N -5.39 0.00 -3.61 4.31 3.02 -1.26 -4.89 115.26 107.45 1ua2 n ASN 148 Ca 0.15 -1.34 -0.23 0.00 -0.03 0.00 0.00 54.58 53.14 1ua2 n ASN 148 Cb 0.48 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.70 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 0.69 -0.62 3.63 7.41 0.00 0.26 -3.25 105.19 113.30 1ua2 n GLY 149 Ca 0.13 0.29 -0.37 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.56 5.32 -0.20 1.61 1.01 -1.26 -4.27 120.40 119.05 1ua2 s VAL 150 Ca 0.20 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.16 1ua2 s VAL 150 Cb -0.05 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1ua2 s VAL 150 CO 0.81 0.29 0.79 -0.22 0.00 0.00 0.00 175.10 176.77 1ua2 s LEU 151 N 1.43 4.13 -0.10 3.92 2.96 -1.26 -2.97 118.68 126.80 1ua2 s LEU 151 Ca 0.08 1.05 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 1ua2 s LEU 151 Cb -0.15 -3.15 -0.01 0.00 0.50 0.00 0.00 46.19 43.38 1ua2 s LEU 151 CO 0.08 -0.42 -0.16 -0.54 -1.32 0.00 0.00 176.35 173.98 1ua2 s LYS 152 N 2.39 3.04 0.03 1.98 1.02 0.33 -4.47 119.74 124.06 1ua2 s LYS 152 Ca 0.35 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 55.30 1ua2 s LYS 152 Cb -0.16 -2.47 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 1ua2 s LYS 152 CO 0.10 0.32 1.13 -0.51 -0.92 0.00 0.00 175.35 175.47 1ua2 s LEU 153 N 0.05 4.36 0.89 3.17 1.43 0.15 -0.33 118.68 128.40 1ua2 s LEU 153 Ca -0.06 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 54.81 1ua2 s LEU 153 Cb -0.15 -3.57 0.13 0.00 0.03 0.00 0.00 46.19 42.63 1ua2 s LEU 153 CO 0.05 -0.42 1.09 0.00 0.23 0.00 0.00 176.35 177.30 1ua2 s ALA 154 N 1.19 1.55 -0.25 4.21 0.00 0.70 -2.57 121.76 126.60 1ua2 s ALA 154 Ca 0.56 -0.05 -0.34 0.00 0.00 0.00 0.00 51.96 52.13 1ua2 s ALA 154 Cb -0.26 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 1ua2 s ALA 154 CO 0.28 -2.36 2.07 -0.40 0.00 0.00 0.00 175.76 175.35 1ua2 n ASP 155 N -3.89 2.73 -4.45 0.00 5.75 -1.26 -4.72 116.55 110.71 1ua2 n ASP 155 Ca 0.07 0.60 -0.11 0.00 -0.01 0.00 0.00 54.79 55.34 1ua2 n ASP 155 Cb 0.55 -1.33 -0.09 0.00 -1.03 0.00 0.00 41.12 39.22 1ua2 n ASP 155 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1ua2 n PHE 156 N 8.84 0.71 0.00 2.11 1.16 -1.26 -4.71 117.46 124.30 1ua2 n PHE 156 Ca 0.33 -0.11 0.00 0.00 -1.87 0.00 0.00 57.45 55.80 1ua2 n PHE 156 Cb 0.28 -2.10 0.00 0.00 -1.61 0.00 0.00 39.48 36.05 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 5.84 0.45 0.51 4.97 0.00 -1.26 -2.59 105.19 113.11 1ua2 n GLY 157 Ca 0.34 0.01 0.32 0.00 0.00 0.00 0.00 46.02 46.69 1ua2 n GLY 157 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1ua2 h LEU 158 N 0.00 0.00 -2.53 0.99 -0.00 -1.91 0.31 115.31 112.17 1ua2 h LEU 158 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1ua2 h LEU 158 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1ua2 h LEU 158 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 1ua2 n ALA 159 N -2.63 2.71 0.00 0.17 0.00 -1.07 -2.73 120.51 116.96 1ua2 n ALA 159 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ua2 n ALA 159 Cb 1.19 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1ua2 n ALA 159 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ua2 n LYS 160 N 1.05 0.00 0.00 0.00 4.81 0.93 -4.82 118.16 120.13 1ua2 n LYS 160 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ua2 n LYS 160 Cb 0.37 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.42 1ua2 n LYS 160 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1ua2 n SER 161 N 0.00 0.00 -0.35 3.14 3.41 -0.21 -3.48 113.62 116.13 1ua2 n SER 161 Ca 0.00 0.72 -0.09 0.00 -0.26 0.00 0.00 58.87 59.23 1ua2 n SER 161 Cb 0.00 -0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 1ua2 n SER 161 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ua2 n PHE 162 N -1.36 -0.37 -1.69 7.33 0.99 -1.25 -3.36 117.46 117.76 1ua2 n PHE 162 Ca 0.00 1.05 -0.32 0.00 -0.00 0.00 0.00 57.45 58.18 1ua2 n PHE 162 Cb 0.00 -0.57 -0.03 0.00 -1.00 0.00 0.00 39.48 37.89 1ua2 n PHE 162 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ua2 n GLY 163 N -1.21 4.76 3.62 1.37 0.00 -1.11 -4.87 105.19 107.75 1ua2 n GLY 163 Ca 0.02 -2.05 -0.05 0.00 0.00 0.00 0.00 46.02 43.94 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 0.01 -0.15 0.81 1.61 0.01 -1.21 -4.56 113.70 110.23 1ua2 s SER 164 Ca 0.56 0.14 -0.15 0.00 1.31 0.00 0.00 55.95 57.81 1ua2 s SER 164 Cb 0.36 0.12 -0.13 0.00 0.21 0.00 0.00 66.02 66.59 1ua2 s SER 164 CO -0.24 -0.15 -0.76 -2.65 0.41 0.00 0.00 173.24 169.85 1ua2 n PRO 165 N 0.50 0.00 -0.40 12.44 -0.02 -1.26 -4.90 135.00 141.37 1ua2 n PRO 165 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1ua2 n PRO 165 Cb 0.58 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 33.25 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 2.84 0.00 -4.40 2.55 5.03 -1.26 -4.83 115.26 115.18 1ua2 n ASN 166 Ca -0.02 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 54.99 1ua2 n ASN 166 Cb 0.48 -0.59 -0.00 0.00 -1.02 0.00 0.00 39.78 38.65 1ua2 n ASN 166 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1ua2 s ARG 167 N -1.51 4.10 0.20 3.52 3.52 -1.26 -4.76 118.95 122.75 1ua2 s ARG 167 Ca 0.00 -2.82 -0.32 0.00 -0.13 0.00 0.00 55.73 52.46 1ua2 s ARG 167 Cb 0.00 -4.81 -0.15 0.00 -1.56 0.00 0.00 34.95 28.43 1ua2 s ARG 167 CO 0.00 -1.52 1.13 0.00 -0.81 0.00 0.00 175.30 174.11 1ua2 n ALA 168 N 4.32 -0.62 -1.69 6.12 0.00 -1.25 -4.94 120.51 122.45 1ua2 n ALA 168 Ca 0.29 0.45 -0.37 0.00 0.00 0.00 0.00 53.44 53.81 1ua2 n ALA 168 Cb 0.42 -2.03 0.07 0.00 0.00 0.00 0.00 19.45 17.91 1ua2 n ALA 168 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ua2 n TYR 169 N 1.25 1.87 -2.74 0.00 9.36 -1.26 -4.67 117.16 120.97 1ua2 n TYR 169 Ca 0.14 0.42 -0.05 0.00 3.32 0.00 0.00 57.90 61.72 1ua2 n TYR 169 Cb 0.26 -2.25 0.03 0.00 -0.63 0.00 0.00 39.34 36.75 1ua2 n TYR 169 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 1ua2 n HIS 171 N -2.01 -3.03 0.00 2.98 -0.00 -1.26 -4.87 115.22 107.03 1ua2 n HIS 171 Ca 0.16 -1.37 0.00 0.00 0.46 0.00 0.00 57.72 56.97 1ua2 n HIS 171 Cb 0.48 1.44 0.00 0.00 -0.12 0.00 0.00 29.99 31.79 1ua2 n HIS 171 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1ua2 n GLN 172 N 2.30 0.00 -1.82 1.57 0.00 -1.26 -5.14 117.38 113.04 1ua2 n GLN 172 Ca 0.13 0.00 -0.38 0.00 -0.00 0.00 0.00 57.00 56.74 1ua2 n GLN 172 Cb 0.61 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.88 1ua2 n GLN 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1ua2 s VAL 173 N -2.00 2.15 0.40 1.69 -7.23 -1.26 -5.07 120.40 109.08 1ua2 s VAL 173 Ca 0.00 0.11 0.08 0.00 -1.81 0.00 0.00 61.98 60.36 1ua2 s VAL 173 Cb 0.00 -3.06 -0.01 0.00 0.56 0.00 0.00 36.38 33.87 1ua2 s VAL 173 CO 0.00 0.00 0.46 0.68 -0.31 0.00 0.00 175.10 175.93 1ua2 s VAL 174 N -1.31 3.04 -0.20 1.32 -7.23 -1.26 -5.07 120.40 109.69 1ua2 s VAL 174 Ca 0.70 -1.16 -0.05 0.00 -1.81 0.00 0.00 61.98 59.66 1ua2 s VAL 174 Cb -0.40 -3.06 0.10 0.00 0.56 0.00 0.00 36.38 33.58 1ua2 s VAL 174 CO 0.48 -0.03 0.35 -0.89 -0.31 0.00 0.00 175.10 174.69 1ua2 s THR 175 N -2.37 -0.55 -0.51 5.32 2.01 -1.26 -4.92 115.64 113.36 1ua2 s THR 175 Ca 0.50 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.63 1ua2 s THR 175 Cb -0.07 -0.68 0.16 0.00 0.01 0.00 0.00 72.50 71.92 1ua2 s THR 175 CO 0.30 -0.02 1.11 -2.11 -0.69 0.00 0.00 174.62 173.21 1ua2 n ARG 176 N 5.37 2.75 0.00 4.92 1.85 -1.26 -4.67 116.66 125.62 1ua2 n ARG 176 Ca -0.06 -1.74 0.08 0.00 -1.00 0.00 0.00 57.85 55.14 1ua2 n ARG 176 Cb 0.50 -1.14 0.48 0.00 -1.05 0.00 0.00 32.46 31.25 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 0.06 0.00 0.08 2.89 8.01 -1.26 -2.17 117.44 125.04 1ua2 n TRP 177 Ca 0.06 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 56.26 1ua2 n TRP 177 Cb 0.33 -0.02 0.01 0.00 -2.01 0.00 0.00 31.31 29.62 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 -1.02 0.00 -1.82 -5.99 4.02 -1.26 -4.64 117.16 106.44 1ua2 n TYR 178 Ca 0.12 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.90 57.57 1ua2 n TYR 178 Cb 0.06 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.35 1ua2 n TYR 178 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1ua2 s ARG 179 N -0.20 4.16 0.78 -0.72 1.81 -0.92 -3.65 118.95 120.21 1ua2 s ARG 179 Ca 0.02 2.44 -0.13 0.00 -1.72 0.00 0.00 55.73 56.35 1ua2 s ARG 179 Cb 0.02 -3.85 0.07 0.00 -0.45 0.00 0.00 34.95 30.73 1ua2 s ARG 179 CO 0.03 -0.85 1.17 0.00 -0.68 0.00 0.00 175.30 174.97 1ua2 s ALA 180 N 3.50 2.00 0.38 2.13 0.00 -1.26 -4.85 121.76 123.66 1ua2 s ALA 180 Ca 0.80 0.70 0.23 0.00 0.00 0.00 0.00 51.96 53.68 1ua2 s ALA 180 Cb -0.41 -3.43 1.21 0.00 0.00 0.00 0.00 23.12 20.49 1ua2 s ALA 180 CO 0.35 -2.04 1.99 -1.00 0.00 0.00 0.00 175.76 175.07 1ua2 h PRO 181 N -0.78 0.00 -0.42 0.00 0.13 -1.94 -1.78 132.00 127.21 1ua2 h PRO 181 Ca -0.46 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1ua2 h PRO 181 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1ua2 h PRO 181 CO 0.48 0.18 0.27 0.93 -0.23 0.00 0.00 178.00 179.63 1ua2 h GLU 182 N 0.00 0.53 0.00 0.86 5.08 -1.91 0.72 114.58 119.86 1ua2 h GLU 182 Ca -0.00 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1ua2 h GLU 182 Cb 0.43 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ua2 h GLU 182 CO 0.02 0.35 -0.50 -0.07 -1.00 0.00 0.00 179.01 177.81 1ua2 h LEU 183 N 0.54 0.00 -0.42 1.33 3.38 -1.78 -0.51 115.31 117.86 1ua2 h LEU 183 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1ua2 h LEU 183 Cb -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1ua2 h LEU 183 CO -0.05 0.50 -0.68 -0.07 0.09 0.00 0.00 178.44 178.23 1ua2 h LEU 184 N 0.00 0.00 -1.46 1.67 4.07 -0.61 -1.20 115.31 117.78 1ua2 h LEU 184 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ua2 h LEU 184 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1ua2 h LEU 184 CO 0.06 0.68 0.00 0.49 -1.08 0.00 0.00 178.44 178.60 1ua2 n PHE 185 N -3.51 0.55 -3.05 1.13 0.99 0.25 -4.85 117.46 108.97 1ua2 n PHE 185 Ca -0.00 -0.26 -0.13 0.00 -0.00 0.00 0.00 57.45 57.06 1ua2 n PHE 185 Cb 0.72 -0.03 0.06 0.00 -1.00 0.00 0.00 39.48 39.24 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 1.03 -0.12 3.76 1.37 0.00 -0.45 0.07 105.19 110.84 1ua2 n GLY 186 Ca 0.13 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1ua2 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ua2 s ALA 187 N -3.25 3.59 -0.33 4.61 0.00 -0.23 -4.02 121.76 122.13 1ua2 s ALA 187 Ca 0.06 1.39 0.15 0.00 0.00 0.00 0.00 51.96 53.56 1ua2 s ALA 187 Cb -0.03 -3.56 0.76 0.00 0.00 0.00 0.00 23.12 20.30 1ua2 s ALA 187 CO 0.52 -0.81 1.68 0.54 0.00 0.00 0.00 175.76 177.68 1ua2 n ARG 188 N 1.42 4.44 -3.61 0.00 5.12 -1.26 -4.82 116.66 117.95 1ua2 n ARG 188 Ca 0.04 -3.08 -0.03 0.00 -1.93 0.00 0.00 57.85 52.85 1ua2 n ARG 188 Cb 0.40 -2.15 -0.05 0.00 -1.16 0.00 0.00 32.46 29.50 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 -2.68 0.51 0.28 5.56 0.23 -1.26 -5.16 119.30 116.79 1ua2 s MET 189 Ca 0.52 1.31 -0.16 0.00 -1.03 0.00 0.00 55.69 56.33 1ua2 s MET 189 Cb 0.39 0.70 0.01 0.00 -1.53 0.00 0.00 34.83 34.40 1ua2 s MET 189 CO 0.16 -0.25 0.60 1.52 -2.03 0.00 0.00 175.02 175.02 1ua2 s TYR 190 N 2.82 0.16 0.00 3.16 -0.85 -1.26 -5.06 117.35 116.32 1ua2 s TYR 190 Ca -0.03 -0.58 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 1ua2 s TYR 190 Cb -0.12 0.44 0.00 0.00 0.38 0.00 0.00 41.96 42.66 1ua2 s TYR 190 CO -0.18 -1.15 0.00 0.41 -1.52 0.00 0.00 175.55 173.11 1ua2 n GLY 191 N -0.44 3.13 0.00 5.49 0.00 -1.26 -5.01 105.19 107.10 1ua2 n GLY 191 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1ua2 n GLY 191 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ua2 n VAL 192 N 0.00 0.00 -0.36 1.61 0.31 -1.26 -1.44 118.33 117.19 1ua2 n VAL 192 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1ua2 n VAL 192 Cb 0.00 0.00 0.24 0.00 -0.91 0.00 0.00 33.84 33.17 1ua2 n VAL 192 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1ua2 h GLY 193 N 0.00 1.62 -0.53 2.92 0.00 -1.91 -1.68 103.07 103.49 1ua2 h GLY 193 Ca 0.00 -0.42 0.07 0.00 0.00 0.00 0.00 47.33 46.98 1ua2 h GLY 193 CO 0.00 0.17 -0.52 -2.08 0.00 0.00 0.00 176.54 174.10 1ua2 h VAL 194 N 0.99 0.03 -0.29 4.60 2.07 -1.63 0.74 116.25 122.76 1ua2 h VAL 194 Ca 0.49 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.04 1ua2 h VAL 194 Cb 0.48 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1ua2 h VAL 194 CO -0.26 0.00 0.11 0.44 0.02 0.00 0.00 177.57 177.88 1ua2 h ASP 195 N -0.28 0.13 -0.67 0.57 3.32 -1.54 -2.99 116.42 114.96 1ua2 h ASP 195 Ca 0.12 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1ua2 h ASP 195 Cb 0.56 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.06 1ua2 h ASP 195 CO -0.68 0.11 0.37 0.24 -1.72 0.00 0.00 179.24 177.55 1ua2 h MET 196 N 0.24 0.66 -0.19 3.56 2.86 -0.69 -1.61 114.93 119.76 1ua2 h MET 196 Ca 0.13 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1ua2 h MET 196 Cb 0.09 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1ua2 h MET 196 CO -0.13 0.43 0.11 2.35 1.06 0.00 0.00 176.91 180.73 1ua2 h TRP 197 N 0.67 0.25 -0.39 -0.22 2.91 -0.80 0.11 115.95 118.49 1ua2 h TRP 197 Ca 0.30 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.40 1ua2 h TRP 197 Cb 0.20 -0.08 -0.08 0.00 -0.51 0.00 0.00 29.16 28.69 1ua2 h TRP 197 CO -0.08 0.23 -0.14 0.00 -1.03 0.00 0.00 178.44 177.42 1ua2 h ALA 198 N 1.00 0.19 -0.68 2.65 0.00 -1.17 0.35 119.26 121.61 1ua2 h ALA 198 Ca 0.07 0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.27 1ua2 h ALA 198 Cb 0.05 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.09 1ua2 h ALA 198 CO -0.01 -0.50 0.02 0.28 0.00 0.00 0.00 179.25 179.05 1ua2 h VAL 199 N -0.05 0.44 -0.62 0.00 2.07 -0.75 0.48 116.25 117.83 1ua2 h VAL 199 Ca 0.19 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.72 1ua2 h VAL 199 Cb 0.34 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 1ua2 h VAL 199 CO -0.43 0.02 -0.48 1.23 0.02 0.00 0.00 177.57 177.94 1ua2 h GLY 200 N 0.13 -1.17 1.85 2.17 0.00 0.22 0.65 103.07 106.92 1ua2 h GLY 200 Ca 0.36 0.81 -0.02 0.00 0.00 0.00 0.00 47.33 48.48 1ua2 h GLY 200 CO -0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 176.54 175.79 1ua2 h ILE 202 N 0.20 1.35 -0.74 0.00 2.04 0.12 0.44 117.51 120.91 1ua2 h ILE 202 Ca 0.05 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 64.91 1ua2 h ILE 202 Cb 0.15 1.98 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 1ua2 h ILE 202 CO 0.00 0.29 0.41 0.25 0.00 0.00 0.00 178.15 179.11 1ua2 h LEU 203 N -0.33 0.60 0.13 1.44 5.85 0.12 0.19 115.31 123.32 1ua2 h LEU 203 Ca 0.01 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ua2 h LEU 203 Cb 0.48 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1ua2 h LEU 203 CO 0.01 0.37 -0.19 0.00 -0.34 0.00 0.00 178.44 178.28 1ua2 h ALA 204 N 1.40 -0.35 -0.31 1.25 0.00 -0.01 -2.20 119.26 119.05 1ua2 h ALA 204 Ca 0.35 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.29 1ua2 h ALA 204 Cb 0.27 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ua2 h ALA 204 CO -0.22 -0.73 0.22 0.93 0.00 0.00 0.00 179.25 179.45 1ua2 h GLU 205 N -0.39 0.09 -0.19 0.00 5.08 0.20 0.11 114.58 119.49 1ua2 h GLU 205 Ca 0.02 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1ua2 h GLU 205 Cb 0.39 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ua2 h GLU 205 CO -0.09 0.06 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.73 1ua2 h LEU 206 N 0.09 0.48 -0.66 1.33 4.07 -0.52 0.96 115.31 121.06 1ua2 h LEU 206 Ca 0.14 -0.48 -0.08 0.00 0.08 0.00 0.00 57.88 57.55 1ua2 h LEU 206 Cb 0.46 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 1ua2 h LEU 206 CO -0.01 0.86 0.11 -0.07 -1.08 0.00 0.00 178.44 178.24 1ua2 h LEU 207 N 0.11 1.05 0.00 1.67 -0.00 -0.67 -3.30 115.31 114.17 1ua2 h LEU 207 Ca 0.03 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 1ua2 h LEU 207 Cb 0.72 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1ua2 h LEU 207 CO 0.05 1.04 -1.20 0.18 -0.00 0.00 0.00 178.44 178.50 1ua2 n LEU 208 N -4.23 0.57 -0.98 1.67 4.77 0.31 -4.95 117.00 114.16 1ua2 n LEU 208 Ca 0.04 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 1ua2 n LEU 208 Cb 0.29 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1ua2 n LEU 208 CO 0.43 -0.04 -0.11 0.54 -1.33 0.00 0.00 177.39 176.88 1ua2 n ARG 209 N -2.26 -1.60 -3.86 3.23 5.12 0.33 -4.93 116.66 112.68 1ua2 n ARG 209 Ca 0.00 0.82 -0.12 0.00 -1.93 0.00 0.00 57.85 56.62 1ua2 n ARG 209 Cb 0.50 -5.10 -0.14 0.00 -1.16 0.00 0.00 32.46 26.56 1ua2 n ARG 209 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1ua2 s VAL 210 N -1.92 -0.00 -0.11 1.55 -7.23 -1.24 -4.78 120.40 106.67 1ua2 s VAL 210 Ca 0.00 0.01 -0.35 0.00 -1.81 0.00 0.00 61.98 59.83 1ua2 s VAL 210 Cb 0.00 -0.02 -0.17 0.00 0.56 0.00 0.00 36.38 36.75 1ua2 s VAL 210 CO 0.00 0.01 1.02 -2.65 -0.31 0.00 0.00 175.10 173.17 1ua2 n PRO 211 N 3.16 0.00 0.01 4.82 -0.01 -1.26 -4.43 135.00 137.30 1ua2 n PRO 211 Ca -0.13 0.00 -0.18 0.00 -0.01 0.00 0.00 63.50 63.18 1ua2 n PRO 211 Cb 0.59 -1.27 -0.13 0.00 -0.01 0.00 0.00 33.50 32.68 1ua2 n PRO 211 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 175.50 175.84 1ua2 h PHE 212 N 2.97 0.43 -2.10 6.00 -0.00 -1.91 -3.39 116.94 118.94 1ua2 h PHE 212 Ca -0.42 -0.28 -0.58 0.00 -0.00 0.00 0.00 57.97 56.69 1ua2 h PHE 212 Cb 1.20 -0.03 -0.41 0.00 -0.00 0.00 0.00 35.95 36.71 1ua2 h PHE 212 CO 0.50 1.17 -0.83 1.28 -0.00 0.00 0.00 178.31 180.43 1ua2 n LEU 213 N -4.28 2.09 -3.99 0.59 4.77 -1.26 -5.02 117.00 109.89 1ua2 n LEU 213 Ca -0.12 -5.09 -0.43 0.00 -0.03 0.00 0.00 56.01 50.34 1ua2 n LEU 213 Cb 0.69 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1ua2 n LEU 213 CO 0.45 2.06 2.13 -0.81 -1.33 0.00 0.00 177.39 179.89 1ua2 n PRO 214 N 1.11 3.27 -3.26 3.23 -0.05 -1.26 -4.55 135.00 133.48 1ua2 n PRO 214 Ca 0.26 -3.22 -0.37 0.00 -0.05 0.00 0.00 63.50 60.12 1ua2 n PRO 214 Cb 0.47 -3.14 -0.06 0.00 -0.05 0.00 0.00 33.50 30.72 1ua2 n PRO 214 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1ua2 s GLY 215 N 2.36 2.57 0.08 0.55 0.00 -1.26 -4.98 107.32 106.63 1ua2 s GLY 215 Ca 0.44 0.00 0.24 0.00 0.00 0.00 0.00 44.72 45.41 1ua2 s GLY 215 CO -0.02 0.35 1.29 2.09 0.00 0.00 0.00 173.10 176.81 1ua2 n ASP 216 N 1.06 0.63 -3.95 1.64 5.68 -1.26 -4.76 116.55 115.59 1ua2 n ASP 216 Ca -0.06 -0.03 -0.16 0.00 -0.50 0.00 0.00 54.79 54.05 1ua2 n ASP 216 Cb 0.51 0.30 -0.09 0.00 -1.14 0.00 0.00 41.12 40.70 1ua2 n ASP 216 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ua2 s SER 217 N -3.87 0.90 0.21 -1.12 1.04 -1.26 -4.96 113.70 104.63 1ua2 s SER 217 Ca 0.07 -1.52 -0.09 0.00 0.48 0.00 0.00 55.95 54.89 1ua2 s SER 217 Cb 0.15 0.41 0.15 0.00 0.10 0.00 0.00 66.02 66.83 1ua2 s SER 217 CO 0.73 -0.90 1.79 0.44 0.98 0.00 0.00 173.24 176.28 1ua2 h ASP 218 N 2.40 1.01 -0.46 7.02 5.19 -1.98 0.36 116.42 129.96 1ua2 h ASP 218 Ca -0.33 -0.14 -0.10 0.00 -0.62 0.00 0.00 57.03 55.84 1ua2 h ASP 218 Cb 1.24 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.48 1ua2 h ASP 218 CO 0.49 0.87 -0.08 0.25 -3.12 0.00 0.00 179.24 177.65 1ua2 h LEU 219 N 1.08 0.90 -0.98 1.55 5.85 -1.95 -2.44 115.31 119.31 1ua2 h LEU 219 Ca 0.26 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1ua2 h LEU 219 Cb 0.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1ua2 h LEU 219 CO -0.03 1.00 -0.38 -0.78 -0.34 0.00 0.00 178.44 177.92 1ua2 h ASP 220 N 0.83 0.26 -0.87 1.25 3.58 -1.85 -2.74 116.42 116.88 1ua2 h ASP 220 Ca 0.14 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1ua2 h ASP 220 Cb 0.60 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.53 1ua2 h ASP 220 CO 0.04 0.62 0.51 -0.61 -2.88 0.00 0.00 179.24 176.91 1ua2 h GLN 221 N 0.22 1.19 -0.23 0.28 5.75 0.15 -1.23 115.11 121.25 1ua2 h GLN 221 Ca 0.02 -0.12 -0.16 0.00 -0.15 0.00 0.00 58.65 58.24 1ua2 h GLN 221 Cb 0.77 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1ua2 h GLN 221 CO 0.06 0.85 -0.51 -0.07 -2.65 0.00 0.00 178.83 176.51 1ua2 h LEU 222 N 1.20 0.72 -0.11 -2.39 3.38 -1.17 -0.16 115.31 116.80 1ua2 h LEU 222 Ca 0.31 -0.37 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 1ua2 h LEU 222 Cb -0.02 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ua2 h LEU 222 CO -0.05 1.10 -0.61 0.00 0.09 0.00 0.00 178.44 178.97 1ua2 h THR 223 N 0.51 1.34 -0.69 0.22 1.03 -1.41 1.02 112.91 114.94 1ua2 h THR 223 Ca 0.02 -1.90 0.11 0.00 -0.01 0.00 0.00 66.41 64.63 1ua2 h THR 223 Cb 1.07 2.17 -0.04 0.00 -1.07 0.00 0.00 68.15 70.27 1ua2 h THR 223 CO 0.10 0.58 0.46 0.03 -0.01 0.00 0.00 175.52 176.68 1ua2 h ARG 224 N 0.24 0.48 -0.05 0.00 2.47 -1.11 0.22 114.38 116.63 1ua2 h ARG 224 Ca -0.05 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.57 1ua2 h ARG 224 Cb 1.26 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1ua2 h ARG 224 CO 0.13 0.32 -0.25 0.82 0.56 0.00 0.00 179.97 181.55 1ua2 h ILE 225 N 0.50 1.45 0.00 2.04 2.04 0.09 -2.93 117.51 120.70 1ua2 h ILE 225 Ca 0.32 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1ua2 h ILE 225 Cb 0.59 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1ua2 h ILE 225 CO -0.10 0.48 0.00 -0.26 0.00 0.00 0.00 178.15 178.26 1ua2 h PHE 226 N -0.28 0.00 0.00 1.37 0.05 0.20 -0.53 116.94 117.75 1ua2 h PHE 226 Ca -0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.77 1ua2 h PHE 226 Cb 0.91 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.86 1ua2 h PHE 226 CO 0.14 0.00 -1.16 -0.85 -0.18 0.00 0.00 178.31 176.26 1ua2 n GLU 227 N -2.52 0.24 -0.11 1.51 0.28 0.67 -0.65 120.64 120.06 1ua2 n GLU 227 Ca 0.04 -0.04 -0.19 0.00 -0.16 0.00 0.00 57.16 56.82 1ua2 n GLU 227 Cb 0.41 -1.54 -0.08 0.00 1.43 0.00 0.00 31.44 31.66 1ua2 n GLU 227 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1ua2 n THR 228 N -1.83 1.50 1.42 3.84 -1.04 -1.10 -3.90 114.28 113.17 1ua2 n THR 228 Ca 0.02 -0.06 0.14 0.00 -2.04 0.00 0.00 64.05 62.11 1ua2 n THR 228 Cb 0.42 -2.11 0.46 0.00 -1.82 0.00 0.00 70.33 67.27 1ua2 n THR 228 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ua2 n LEU 229 N -4.42 1.63 0.00 -4.42 4.77 -0.23 -0.55 117.00 113.79 1ua2 n LEU 229 Ca -0.31 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 1ua2 n LEU 229 Cb 0.64 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1ua2 n LEU 229 CO 0.13 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1ua2 n GLY 230 N 1.21 1.32 3.67 -0.72 0.00 0.18 -4.72 105.19 106.12 1ua2 n GLY 230 Ca 0.18 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.96 4.68 0.15 2.61 2.01 0.40 -4.36 115.64 118.17 1ua2 s THR 231 Ca 0.00 2.01 -0.33 0.00 0.31 0.00 0.00 61.69 63.68 1ua2 s THR 231 Cb 0.00 -4.29 -0.13 0.00 0.01 0.00 0.00 72.50 68.09 1ua2 s THR 231 CO 0.00 -0.14 1.68 -0.81 -0.69 0.00 0.00 174.62 174.66 1ua2 n PRO 232 N 6.05 2.44 -1.51 4.92 -0.04 -1.26 -4.87 135.00 140.73 1ua2 n PRO 232 Ca 0.11 0.88 -0.29 0.00 -0.04 0.00 0.00 63.50 64.17 1ua2 n PRO 232 Cb 0.46 -2.70 0.13 0.00 -0.04 0.00 0.00 33.50 31.35 1ua2 n PRO 232 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ua2 s THR 233 N 1.47 2.29 0.25 0.52 -4.23 -1.26 -4.84 115.64 109.84 1ua2 s THR 233 Ca 0.79 0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 61.34 1ua2 s THR 233 Cb -0.60 -2.82 0.21 0.00 1.34 0.00 0.00 72.50 70.63 1ua2 s THR 233 CO 0.37 -0.12 1.87 -0.33 -0.54 0.00 0.00 174.62 175.87 1ua2 h GLU 234 N -1.42 1.18 -0.52 3.99 4.39 -1.94 -0.97 114.58 119.30 1ua2 h GLU 234 Ca -0.50 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1ua2 h GLU 234 Cb 1.31 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1ua2 h GLU 234 CO 0.61 0.87 0.00 -0.85 -1.16 0.00 0.00 179.01 178.48 1ua2 n GLU 235 N -4.34 2.26 -0.12 2.33 0.28 -1.26 -1.45 120.64 118.34 1ua2 n GLU 235 Ca 0.09 -1.81 -0.23 0.00 -0.16 0.00 0.00 57.16 55.04 1ua2 n GLU 235 Cb 0.10 -1.43 -0.08 0.00 1.43 0.00 0.00 31.44 31.46 1ua2 n GLU 235 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ua2 n GLN 236 N 0.92 0.57 -3.86 3.44 6.02 -0.82 -4.74 117.38 118.90 1ua2 n GLN 236 Ca 0.17 0.28 -0.29 0.00 -0.01 0.00 0.00 57.00 57.15 1ua2 n GLN 236 Cb 0.45 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.08 1ua2 n GLN 236 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 1ua2 s TRP 237 N -2.58 2.85 0.69 1.08 -0.11 -0.43 -4.22 118.94 116.21 1ua2 s TRP 237 Ca -0.35 -2.97 -0.14 0.00 1.22 0.00 0.00 56.10 53.86 1ua2 s TRP 237 Cb 0.11 -2.49 0.02 0.00 -1.50 0.00 0.00 33.47 29.60 1ua2 s TRP 237 CO 0.48 -0.73 1.11 -1.25 -4.62 0.00 0.00 176.95 171.94 1ua2 s PRO 238 N -0.28 2.63 0.00 5.86 0.04 -0.53 -3.26 135.00 139.46 1ua2 s PRO 238 Ca 0.19 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1ua2 s PRO 238 Cb -0.22 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1ua2 s PRO 238 CO -0.03 -1.38 0.00 -0.25 0.04 0.00 0.00 177.00 175.38 1ua2 n ASP 239 N -2.75 0.00 0.20 6.66 9.92 -1.26 -4.83 116.55 124.49 1ua2 n ASP 239 Ca 0.10 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.42 1ua2 n ASP 239 Cb 0.52 0.00 0.44 0.00 -0.64 0.00 0.00 41.12 41.44 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 2.75 0.00 -0.22 -1.24 1.85 -1.92 -2.22 114.93 113.93 1ua2 h MET 240 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1ua2 h MET 240 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1ua2 h MET 240 CO 0.00 0.31 0.00 0.00 -0.40 0.00 0.00 176.91 176.82 1ua2 n SER 242 N 0.19 1.20 -4.72 0.00 7.64 -0.84 -4.99 113.62 112.11 1ua2 n SER 242 Ca 0.10 -1.10 -0.43 0.00 1.01 0.00 0.00 58.87 58.46 1ua2 n SER 242 Cb 0.23 0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 63.90 1ua2 n SER 242 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ua2 n LEU 243 N -0.29 3.87 0.11 -3.43 7.99 -0.97 -4.93 117.00 119.34 1ua2 n LEU 243 Ca 0.04 1.15 -0.11 0.00 -0.01 0.00 0.00 56.01 57.09 1ua2 n LEU 243 Cb 0.22 -1.53 -0.06 0.00 -0.11 0.00 0.00 43.42 41.94 1ua2 n LEU 243 CO 0.13 -0.13 0.51 -0.65 -1.51 0.00 0.00 177.39 175.74 1ua2 h PRO 244 N 4.31 -0.52 -0.89 3.23 0.11 -1.69 -2.38 132.00 134.17 1ua2 h PRO 244 Ca -0.46 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1ua2 h PRO 244 Cb 1.25 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 1ua2 h PRO 244 CO 0.76 -0.35 0.01 -0.25 -0.21 0.00 0.00 178.00 177.97 1ua2 n ASP 245 N -4.34 2.40 -4.57 -2.05 8.00 0.11 -4.90 116.55 111.19 1ua2 n ASP 245 Ca -0.06 -2.28 -0.49 0.00 0.71 0.00 0.00 54.79 52.67 1ua2 n ASP 245 Cb 0.27 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 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 0.16 1.25 -4.29 1.24 9.36 -0.90 -4.71 117.16 119.28 1ua2 n TYR 246 Ca 0.08 0.69 -0.19 0.00 3.32 0.00 0.00 57.90 61.81 1ua2 n TYR 246 Cb 0.54 -2.27 -0.13 0.00 -0.63 0.00 0.00 39.34 36.85 1ua2 n TYR 246 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1ua2 s VAL 247 N -0.18 0.97 -0.08 2.97 1.01 -1.26 -5.03 120.40 118.80 1ua2 s VAL 247 Ca 0.74 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1ua2 s VAL 247 Cb -0.87 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 1ua2 s VAL 247 CO 0.52 -0.05 0.50 -0.89 0.00 0.00 0.00 175.10 175.18 1ua2 s THR 248 N -0.88 5.12 -0.01 3.92 2.01 -1.26 -5.07 115.64 119.47 1ua2 s THR 248 Ca -0.00 1.02 0.06 0.00 0.31 0.00 0.00 61.69 63.08 1ua2 s THR 248 Cb -0.08 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1ua2 s THR 248 CO 0.01 0.36 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.74 1ua2 s PHE 249 N 0.31 2.51 0.11 4.92 0.40 -1.26 -5.09 117.98 119.89 1ua2 s PHE 249 Ca 0.27 -0.30 -0.33 0.00 -0.60 0.00 0.00 56.93 55.97 1ua2 s PHE 249 Cb -0.16 -1.53 -0.18 0.00 0.51 0.00 0.00 43.02 41.66 1ua2 s PHE 249 CO 0.12 0.12 0.77 1.17 0.70 0.00 0.00 175.22 178.10 1ua2 n LYS 250 N 2.12 0.01 -2.67 0.44 4.81 -1.26 -4.83 118.16 116.78 1ua2 n LYS 250 Ca -0.17 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.85 1ua2 n LYS 250 Cb 0.52 -1.23 -0.02 0.00 0.02 0.00 0.00 35.03 34.32 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 -0.55 7.10 0.12 3.14 0.15 -1.26 -4.88 113.70 117.52 1ua2 s SER 251 Ca 0.76 1.38 0.06 0.00 0.70 0.00 0.00 55.95 58.85 1ua2 s SER 251 Cb -1.08 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 60.65 1ua2 s SER 251 CO 0.56 -0.64 -0.00 -0.36 1.20 0.00 0.00 173.24 174.00 1ua2 s PHE 252 N 3.08 2.93 -0.17 3.44 0.40 -1.26 -4.95 117.98 121.44 1ua2 s PHE 252 Ca 0.44 -0.07 0.18 0.00 -0.60 0.00 0.00 56.93 56.88 1ua2 s PHE 252 Cb -0.15 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 1ua2 s PHE 252 CO 0.07 0.49 1.04 -1.00 0.70 0.00 0.00 175.22 176.52 1ua2 h PRO 253 N 3.18 0.00 0.00 0.24 0.13 -1.90 0.12 132.00 133.76 1ua2 h PRO 253 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ua2 h PRO 253 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ua2 h PRO 253 CO 0.58 0.25 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 1ua2 n GLY 254 N 1.30 -1.67 3.69 1.56 0.00 -1.26 -4.39 105.19 104.41 1ua2 n GLY 254 Ca -0.04 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.25 4.81 0.38 -0.61 1.01 0.28 -4.82 121.20 119.00 1ua2 s ILE 255 Ca 0.00 2.02 -0.24 0.00 0.00 0.00 0.00 60.65 62.43 1ua2 s ILE 255 Cb 0.00 -4.30 -0.13 0.00 0.01 0.00 0.00 42.46 38.04 1ua2 s ILE 255 CO 0.00 0.04 0.66 -2.65 0.00 0.00 0.00 174.94 172.99 1ua2 n PRO 256 N 4.76 0.72 0.04 2.79 -0.02 -1.26 -4.74 135.00 137.29 1ua2 n PRO 256 Ca 0.08 0.26 -0.04 0.00 -2.02 0.00 0.00 63.50 61.78 1ua2 n PRO 256 Cb 0.49 -1.57 0.19 0.00 -0.02 0.00 0.00 33.50 32.60 1ua2 n PRO 256 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ua2 h LEU 257 N 1.07 0.42 -0.74 2.45 3.38 -1.95 -2.20 115.31 117.74 1ua2 h LEU 257 Ca -0.39 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.29 1ua2 h LEU 257 Cb 1.39 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1ua2 h LEU 257 CO 0.54 0.74 -0.31 1.12 0.09 0.00 0.00 178.44 180.62 1ua2 h HIS 258 N 0.35 0.70 -0.20 1.13 2.07 -1.89 -1.71 115.15 115.60 1ua2 h HIS 258 Ca 0.04 -0.18 -0.13 0.00 -2.85 0.00 0.00 60.37 57.26 1ua2 h HIS 258 Cb 0.77 -0.16 -0.01 0.00 2.57 0.00 0.00 27.41 30.58 1ua2 h HIS 258 CO 0.02 0.85 -0.41 1.25 -3.07 0.00 0.00 177.93 176.57 1ua2 h HIS 259 N 0.52 0.57 -0.07 6.12 -0.00 -1.84 -2.80 115.15 117.64 1ua2 h HIS 259 Ca 0.06 -0.16 -0.02 0.00 -0.00 0.00 0.00 60.37 60.25 1ua2 h HIS 259 Cb 0.80 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 28.08 1ua2 h HIS 259 CO 0.03 0.81 -0.04 0.82 -0.00 0.00 0.00 177.93 179.55 1ua2 h ILE 260 N 0.39 1.33 -3.31 6.26 2.04 -1.02 -3.36 117.51 119.84 1ua2 h ILE 260 Ca 0.03 -1.09 -0.69 0.00 1.00 0.00 0.00 64.86 64.11 1ua2 h ILE 260 Cb 0.89 1.90 -0.36 0.00 -0.74 0.00 0.00 36.82 38.51 1ua2 h ILE 260 CO 0.08 0.30 -0.18 -0.36 0.00 0.00 0.00 178.15 177.99 1ua2 s PHE 261 N -4.49 3.82 -0.81 1.37 0.40 -0.68 -4.91 117.98 112.69 1ua2 s PHE 261 Ca -0.15 -3.05 0.18 0.00 -0.60 0.00 0.00 56.93 53.31 1ua2 s PHE 261 Cb 0.04 -3.17 0.76 0.00 0.51 0.00 0.00 43.02 41.16 1ua2 s PHE 261 CO 0.71 -0.72 1.56 -1.13 0.70 0.00 0.00 175.22 176.34 1ua2 n SER 262 N 2.38 0.25 -0.67 1.36 3.41 -1.06 -1.98 113.62 117.31 1ua2 n SER 262 Ca 0.20 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 1ua2 n SER 262 Cb 0.37 -0.62 0.17 0.00 -0.26 0.00 0.00 64.21 63.87 1ua2 n SER 262 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ua2 n ALA 263 N -1.60 2.87 -2.16 7.33 0.00 -1.26 -4.96 120.51 120.72 1ua2 n ALA 263 Ca 0.03 -0.61 -0.40 0.00 0.00 0.00 0.00 53.44 52.47 1ua2 n ALA 263 Cb 0.20 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1ua2 n ALA 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ua2 s ALA 264 N -2.19 3.43 0.45 0.00 0.00 -0.84 -5.08 121.76 117.53 1ua2 s ALA 264 Ca 0.26 0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.46 1ua2 s ALA 264 Cb 0.20 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 1ua2 s ALA 264 CO 0.41 0.21 0.79 0.20 0.00 0.00 0.00 175.76 177.37 1ua2 s GLY 265 N -0.71 1.73 0.29 0.00 0.00 -1.26 -4.81 107.32 102.54 1ua2 s GLY 265 Ca 0.36 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1ua2 s GLY 265 CO 0.25 -0.15 1.62 -0.55 0.00 0.00 0.00 173.10 174.26 1ua2 h ASP 266 N 0.72 -0.20 -0.82 1.64 3.32 -1.97 0.15 116.42 119.25 1ua2 h ASP 266 Ca -0.47 0.22 0.17 0.00 0.02 0.00 0.00 57.03 56.97 1ua2 h ASP 266 Cb 1.20 0.34 -0.11 0.00 0.22 0.00 0.00 39.33 40.98 1ua2 h ASP 266 CO 0.63 -0.22 0.34 -2.24 -1.72 0.00 0.00 179.24 176.03 1ua2 h ASP 267 N 0.13 0.31 -0.10 6.45 2.03 -1.98 0.87 116.42 124.12 1ua2 h ASP 267 Ca 0.54 0.12 -0.11 0.00 -0.73 0.00 0.00 57.03 56.85 1ua2 h ASP 267 Cb 1.08 0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1ua2 h ASP 267 CO -0.73 0.08 -0.37 0.25 -1.03 0.00 0.00 179.24 177.43 1ua2 h LEU 268 N 0.44 0.51 -0.70 0.15 5.85 -1.19 -2.11 115.31 118.27 1ua2 h LEU 268 Ca 0.47 -0.62 0.11 0.00 0.84 0.00 0.00 57.88 58.68 1ua2 h LEU 268 Cb 0.77 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.57 1ua2 h LEU 268 CO -0.45 1.04 0.30 -0.07 -0.34 0.00 0.00 178.44 178.92 1ua2 h LEU 269 N 0.01 0.33 -0.84 2.25 4.07 0.04 0.38 115.31 121.55 1ua2 h LEU 269 Ca -0.02 0.08 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 1ua2 h LEU 269 Cb 1.01 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.75 1ua2 h LEU 269 CO 0.08 0.17 0.33 0.44 -1.08 0.00 0.00 178.44 178.37 1ua2 h ASP 270 N 0.49 1.09 -0.21 -0.43 3.32 0.79 0.40 116.42 121.87 1ua2 h ASP 270 Ca 0.37 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1ua2 h ASP 270 Cb 0.48 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1ua2 h ASP 270 CO -0.33 0.95 0.04 0.25 -1.72 0.00 0.00 179.24 178.43 1ua2 h LEU 271 N 1.15 0.33 -0.32 1.55 5.85 -0.12 -2.22 115.31 121.52 1ua2 h LEU 271 Ca 0.27 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ua2 h LEU 271 Cb 0.20 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1ua2 h LEU 271 CO -0.02 0.50 0.21 0.40 -0.34 0.00 0.00 178.44 179.18 1ua2 h ILE 272 N 0.14 1.09 -0.72 4.05 2.04 0.47 -1.41 117.51 123.18 1ua2 h ILE 272 Ca 0.06 -0.18 0.09 0.00 1.00 0.00 0.00 64.86 65.83 1ua2 h ILE 272 Cb 0.31 0.63 -0.11 0.00 -0.74 0.00 0.00 36.82 36.91 1ua2 h ILE 272 CO 0.00 0.09 -0.50 -0.61 0.00 0.00 0.00 178.15 177.13 1ua2 h GLN 273 N 0.43 -0.16 -0.16 2.37 -0.00 -0.16 0.18 115.11 117.61 1ua2 h GLN 273 Ca 0.12 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.75 1ua2 h GLN 273 Cb -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 1ua2 h GLN 273 CO -0.02 -0.11 -0.02 0.78 0.00 0.00 0.00 178.83 179.45 1ua2 h GLY 274 N -0.17 0.25 1.89 2.39 0.00 -0.73 -1.03 103.07 105.67 1ua2 h GLY 274 Ca 0.17 -0.13 -0.20 0.00 0.00 0.00 0.00 47.33 47.18 1ua2 h GLY 274 CO -0.78 0.12 -0.92 1.41 0.00 0.00 0.00 176.54 176.37 1ua2 h LEU 275 N 0.23 0.13 -1.84 3.11 3.38 0.26 -2.26 115.31 118.33 1ua2 h LEU 275 Ca 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ua2 h LEU 275 Cb 0.20 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ua2 h LEU 275 CO 0.01 0.98 0.00 0.49 0.09 0.00 0.00 178.44 180.00 1ua2 n PHE 276 N -3.55 0.59 -1.65 1.13 3.01 0.30 -4.38 117.46 112.90 1ua2 n PHE 276 Ca -0.02 -0.29 -0.51 0.00 1.01 0.00 0.00 57.45 57.64 1ua2 n PHE 276 Cb 0.85 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.26 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 0.98 2.53 0.27 4.37 4.77 -0.56 -4.88 117.00 124.47 1ua2 n LEU 277 Ca 0.17 1.07 -0.16 0.00 -0.03 0.00 0.00 56.01 57.07 1ua2 n LEU 277 Cb 0.45 -1.28 -0.08 0.00 -2.33 0.00 0.00 43.42 40.17 1ua2 n LEU 277 CO 0.13 -0.53 0.68 -0.26 -1.33 0.00 0.00 177.39 176.07 1ua2 h PHE 278 N 6.27 -0.60 -1.56 -1.77 0.04 -1.91 -3.41 116.94 113.99 1ua2 h PHE 278 Ca -0.47 -0.01 -0.64 0.00 2.80 0.00 0.00 57.97 59.65 1ua2 h PHE 278 Cb 1.30 0.20 -0.00 0.00 2.20 0.00 0.00 35.95 39.64 1ua2 h PHE 278 CO 0.69 -0.35 1.33 -1.71 -0.60 0.00 0.00 178.31 177.66 1ua2 n ASN 279 N -5.35 2.75 0.27 2.17 2.85 -1.26 -4.84 115.26 111.86 1ua2 n ASN 279 Ca -0.12 0.55 0.17 0.00 -0.11 0.00 0.00 54.58 55.07 1ua2 n ASN 279 Cb 0.28 -1.35 0.92 0.00 1.24 0.00 0.00 39.78 40.87 1ua2 n ASN 279 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ua2 h PRO 280 N 11.89 0.00 0.00 1.20 0.11 -1.95 0.37 132.00 143.63 1ua2 h PRO 280 Ca -0.37 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.58 1ua2 h PRO 280 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1ua2 h PRO 280 CO 0.98 0.00 -0.86 0.00 -0.21 0.00 0.00 178.00 177.91 1ua2 h ALA 282 N 1.30 0.77 -2.49 0.00 0.00 -0.79 -3.46 119.26 114.59 1ua2 h ALA 282 Ca -0.04 -0.64 -0.53 0.00 0.00 0.00 0.00 54.91 53.69 1ua2 h ALA 282 Cb 1.58 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.29 1ua2 h ALA 282 CO 0.08 0.85 0.88 0.50 0.00 0.00 0.00 179.25 181.57 1ua2 s ARG 283 N -3.44 4.24 0.12 0.00 3.52 0.61 -4.88 118.95 119.13 1ua2 s ARG 283 Ca -0.02 2.21 -0.30 0.00 -0.13 0.00 0.00 55.73 57.49 1ua2 s ARG 283 Cb 0.12 -3.42 -0.17 0.00 -1.56 0.00 0.00 34.95 29.92 1ua2 s ARG 283 CO 0.79 -0.61 0.66 1.51 -0.81 0.00 0.00 175.30 176.84 1ua2 n ILE 284 N 4.38 1.24 -2.26 4.11 3.06 -0.85 -4.91 119.36 124.14 1ua2 n ILE 284 Ca 0.14 -0.31 -0.25 0.00 -2.50 0.00 0.00 62.75 59.83 1ua2 n ILE 284 Cb 0.41 0.00 0.07 0.00 0.54 0.00 0.00 39.64 40.66 1ua2 n ILE 284 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1ua2 s THR 285 N -0.62 2.29 0.00 9.51 -4.23 -1.26 -4.88 115.64 116.46 1ua2 s THR 285 Ca 0.68 -0.32 -0.25 0.00 -1.18 0.00 0.00 61.69 60.62 1ua2 s THR 285 Cb -0.97 -2.98 -0.19 0.00 1.34 0.00 0.00 72.50 69.70 1ua2 s THR 285 CO 0.53 0.00 1.37 0.00 -0.54 0.00 0.00 174.62 175.97 1ua2 h ALA 286 N -0.57 -0.01 -0.49 3.99 0.00 -1.94 -0.49 119.26 119.76 1ua2 h ALA 286 Ca -0.44 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.36 1ua2 h ALA 286 Cb 1.31 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 1ua2 h ALA 286 CO 0.57 -0.31 -0.44 1.15 0.00 0.00 0.00 179.25 180.22 1ua2 h THR 287 N -0.39 0.10 -0.72 0.00 2.02 -1.92 -1.33 112.91 110.66 1ua2 h THR 287 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1ua2 h THR 287 Cb 0.38 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1ua2 h THR 287 CO 0.00 0.00 0.48 -0.61 0.37 0.00 0.00 175.52 175.76 1ua2 h GLN 288 N -0.28 0.88 0.14 6.66 4.15 -1.89 -2.12 115.11 122.64 1ua2 h GLN 288 Ca 0.15 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1ua2 h GLN 288 Cb 0.57 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1ua2 h GLN 288 CO -0.63 0.58 -0.07 0.00 -1.93 0.00 0.00 178.83 176.79 1ua2 h ALA 289 N 1.57 -0.18 -0.22 3.38 0.00 -0.21 -2.65 119.26 120.94 1ua2 h ALA 289 Ca 0.28 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1ua2 h ALA 289 Cb 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ua2 h ALA 289 CO -0.08 -0.45 0.27 -0.07 0.00 0.00 0.00 179.25 178.92 1ua2 h LEU 290 N -0.48 0.00 -2.98 0.00 3.38 -0.75 -0.58 115.31 113.91 1ua2 h LEU 290 Ca -0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 1ua2 h LEU 290 Cb 0.38 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.98 1ua2 h LEU 290 CO 0.03 0.00 0.32 0.29 0.09 0.00 0.00 178.44 179.17 1ua2 n LYS 291 N -3.68 1.72 -4.46 1.13 5.02 -0.85 -4.76 118.16 112.27 1ua2 n LYS 291 Ca 0.03 -1.54 -0.31 0.00 -2.02 0.00 0.00 58.31 54.47 1ua2 n LYS 291 Cb 0.40 -1.62 -0.11 0.00 -0.02 0.00 0.00 35.03 33.69 1ua2 n LYS 291 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ua2 s MET 292 N -1.69 2.35 0.23 1.97 -1.94 -0.23 -5.03 119.30 114.96 1ua2 s MET 292 Ca 0.29 -0.85 -0.15 0.00 -1.71 0.00 0.00 55.69 53.27 1ua2 s MET 292 Cb 0.24 -2.39 0.26 0.00 2.01 0.00 0.00 34.83 34.96 1ua2 s MET 292 CO 0.06 0.57 1.58 0.87 -0.01 0.00 0.00 175.02 178.08 1ua2 h LYS 293 N 4.33 -0.05 -0.52 2.03 1.57 -1.90 -0.46 116.57 121.58 1ua2 h LYS 293 Ca -0.48 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.48 1ua2 h LYS 293 Cb 1.16 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.39 1ua2 h LYS 293 CO 0.52 -0.03 0.14 0.98 -0.57 0.00 0.00 179.45 180.49 1ua2 n TYR 294 N -5.49 0.46 0.03 -1.35 9.36 -1.26 0.01 117.16 118.92 1ua2 n TYR 294 Ca 0.09 0.61 -0.09 0.00 3.32 0.00 0.00 57.90 61.84 1ua2 n TYR 294 Cb 0.40 -0.97 -0.13 0.00 -0.63 0.00 0.00 39.34 38.01 1ua2 n TYR 294 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1ua2 h PHE 295 N 0.00 0.08 -0.63 2.98 -1.00 -1.37 -3.29 116.94 113.71 1ua2 h PHE 295 Ca 0.37 -0.06 -0.18 0.00 2.81 0.00 0.00 57.97 60.91 1ua2 h PHE 295 Cb 0.90 -0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.35 1ua2 h PHE 295 CO -0.13 1.07 0.23 -1.13 -1.61 0.00 0.00 178.31 176.74 1ua2 n SER 296 N -3.25 4.41 -2.57 2.17 3.41 0.10 -4.87 113.62 113.02 1ua2 n SER 296 Ca -0.09 -3.02 -0.06 0.00 -0.26 0.00 0.00 58.87 55.44 1ua2 n SER 296 Cb 1.00 -0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.07 1.95 0.32 4.04 4.13 -0.31 -4.99 115.26 120.33 1ua2 n ASN 297 Ca 0.35 -1.44 -0.13 0.00 1.68 0.00 0.00 54.58 55.04 1ua2 n ASN 297 Cb 1.23 0.04 -0.06 0.00 -1.54 0.00 0.00 39.78 39.46 1ua2 n ASN 297 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1ua2 h ARG 298 N 0.00 -0.81 -6.33 3.52 2.47 -1.89 -3.37 114.38 107.97 1ua2 h ARG 298 Ca -0.08 0.05 -0.54 0.00 -1.26 0.00 0.00 59.98 58.15 1ua2 h ARG 298 Cb 0.27 0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1ua2 h ARG 298 CO 0.13 -0.54 1.13 -2.14 0.56 0.00 0.00 179.97 179.12 1ua2 s PRO 299 N -4.53 4.17 0.59 0.04 0.02 -1.26 -4.98 135.00 129.04 1ua2 s PRO 299 Ca -0.12 2.37 -0.09 0.00 0.02 0.00 0.00 61.00 63.18 1ua2 s PRO 299 Cb 0.01 -3.99 -0.04 0.00 0.02 0.00 0.00 34.50 30.51 1ua2 s PRO 299 CO 0.37 -0.87 0.97 0.20 -0.33 0.00 0.00 177.00 177.33 1ua2 s GLY 300 N 3.60 1.61 0.16 0.52 0.00 -1.26 -4.99 107.32 106.97 1ua2 s GLY 300 Ca 0.79 -0.22 -0.34 0.00 0.00 0.00 0.00 44.72 44.95 1ua2 s GLY 300 CO 0.34 0.03 1.52 -1.55 0.00 0.00 0.00 173.10 173.44 1ua2 n PRO 301 N -2.63 1.99 -2.58 2.90 -0.04 -1.26 -4.86 135.00 128.52 1ua2 n PRO 301 Ca 0.05 0.72 -0.38 0.00 -0.04 0.00 0.00 63.50 63.85 1ua2 n PRO 301 Cb 0.54 -2.45 -0.05 0.00 -0.04 0.00 0.00 33.50 31.50 1ua2 n PRO 301 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ua2 s THR 302 N 0.72 3.77 0.65 0.52 -4.23 -1.01 -4.83 115.64 111.23 1ua2 s THR 302 Ca 0.78 1.48 -0.18 0.00 -1.18 0.00 0.00 61.69 62.59 1ua2 s THR 302 Cb -0.71 -3.82 -0.01 0.00 1.34 0.00 0.00 72.50 69.30 1ua2 s THR 302 CO 0.41 0.13 1.28 -2.84 -0.54 0.00 0.00 174.62 173.05 1ua2 s PRO 303 N -2.14 2.55 0.52 3.99 0.02 -1.26 -4.66 135.00 134.02 1ua2 s PRO 303 Ca 0.53 2.01 0.26 0.00 0.02 0.00 0.00 61.00 63.81 1ua2 s PRO 303 Cb -0.24 -1.85 1.39 0.00 0.02 0.00 0.00 34.50 33.82 1ua2 s PRO 303 CO 0.30 -1.59 1.97 0.78 -0.33 0.00 0.00 177.00 178.14 1ua2 h GLY 304 N 0.49 0.05 1.96 0.52 0.00 -1.76 0.27 103.07 104.61 1ua2 h GLY 304 Ca -0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1ua2 h GLY 304 CO 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 177.02 1ua2 n GLN 306 N -3.08 0.13 -1.88 0.00 6.02 0.80 -4.85 117.38 114.52 1ua2 n GLN 306 Ca 0.04 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 1ua2 n GLN 306 Cb 0.54 -1.55 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 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 -3.45 4.37 0.40 1.08 1.02 -0.26 -4.91 118.68 116.92 1ua2 s LEU 307 Ca 0.08 2.77 -0.25 0.00 0.02 0.00 0.00 54.13 56.75 1ua2 s LEU 307 Cb 0.16 -3.62 -0.09 0.00 0.02 0.00 0.00 46.19 42.67 1ua2 s LEU 307 CO 0.75 -0.84 1.13 -2.16 0.02 0.00 0.00 176.35 175.25 1ua2 s PRO 308 N 0.18 4.09 0.36 1.29 0.04 -1.26 -4.95 135.00 134.75 1ua2 s PRO 308 Ca 0.65 1.74 0.08 0.00 0.04 0.00 0.00 61.00 63.51 1ua2 s PRO 308 Cb -0.45 -2.64 -0.06 0.00 0.04 0.00 0.00 34.50 31.39 1ua2 s PRO 308 CO 0.40 -0.26 0.05 1.03 0.04 0.00 0.00 177.00 178.26 1ua2 s ARG 309 N -2.34 2.11 -0.32 4.56 0.52 -1.26 -5.04 118.95 117.18 1ua2 s ARG 309 Ca 0.57 -1.79 -0.17 0.00 -0.52 0.00 0.00 55.73 53.82 1ua2 s ARG 309 Cb -0.28 -1.92 -0.01 0.00 0.52 0.00 0.00 34.95 33.25 1ua2 s ARG 309 CO 0.35 0.07 0.46 -1.25 0.02 0.00 0.00 175.30 174.95 1ua2 s PRO 310 N -3.76 3.73 0.00 3.54 0.05 -1.26 -4.92 135.00 132.38 1ua2 s PRO 310 Ca 0.36 -0.11 0.00 0.00 0.05 0.00 0.00 61.00 61.30 1ua2 s PRO 310 Cb 0.02 -3.76 0.00 0.00 0.05 0.00 0.00 34.50 30.80 1ua2 s PRO 310 CO 0.20 -0.52 0.00 0.09 0.05 0.00 0.00 177.00 176.82