#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xy3 s VAL 3 N 0.00 3.63 -0.14 0.00 1.01 -1.26 -4.86 120.40 118.78 1xy3 s VAL 3 Ca 0.00 0.68 0.18 0.00 0.00 0.00 0.00 61.98 62.84 1xy3 s VAL 3 Cb 0.00 -3.72 -0.13 0.00 0.00 0.00 0.00 36.38 32.52 1xy3 s VAL 3 CO 0.00 -0.37 0.79 0.29 0.00 0.00 0.00 175.10 175.81 1xy3 n LYS 4 N 7.97 0.62 -3.61 2.72 5.02 -1.26 -4.95 118.16 124.68 1xy3 n LYS 4 Ca 0.20 0.16 -0.14 0.00 -2.02 0.00 0.00 58.31 56.50 1xy3 n LYS 4 Cb 0.46 -1.77 -0.07 0.00 -0.02 0.00 0.00 35.03 33.63 1xy3 n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xy3 s ALA 5 N -3.03 -1.79 -0.12 7.82 0.00 -1.26 -5.17 121.76 118.21 1xy3 s ALA 5 Ca -0.03 1.91 -0.10 0.00 0.00 0.00 0.00 51.96 53.74 1xy3 s ALA 5 Cb 0.09 -1.01 0.04 0.00 0.00 0.00 0.00 23.12 22.24 1xy3 s ALA 5 CO 0.82 -0.34 0.32 0.00 0.00 0.00 0.00 175.76 176.56 1xy3 s ALA 6 N 0.13 -0.79 0.02 0.00 0.00 -1.26 -5.16 121.76 114.70 1xy3 s ALA 6 Ca -0.02 1.00 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 1xy3 s ALA 6 Cb -0.04 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.50 1xy3 s ALA 6 CO 0.02 -0.17 0.32 1.03 0.00 0.00 0.00 175.76 176.96 1xy3 s ARG 7 N 0.51 0.78 -0.12 0.00 0.52 -1.26 -4.63 118.95 114.75 1xy3 s ARG 7 Ca -0.03 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 1xy3 s ARG 7 Cb -0.04 0.34 0.12 0.00 0.52 0.00 0.00 34.95 35.89 1xy3 s ARG 7 CO -0.03 -0.24 0.98 1.52 0.02 0.00 0.00 175.30 177.55 1xy3 s TYR 8 N -2.11 -0.35 -1.45 -0.53 1.13 -1.09 -4.93 117.35 108.02 1xy3 s TYR 8 Ca -0.08 0.48 0.00 0.00 -1.41 0.00 0.00 57.07 56.06 1xy3 s TYR 8 Cb -0.02 0.48 0.00 0.00 -1.10 0.00 0.00 41.96 41.32 1xy3 s TYR 8 CO -0.00 -0.39 0.00 0.41 -2.51 0.00 0.00 175.55 173.06 1xy3 n GLY 9 N 0.41 -0.70 3.23 5.49 0.00 -1.25 0.68 105.19 113.04 1xy3 n GLY 9 Ca -0.09 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1xy3 n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xy3 s LYS 10 N -0.58 2.63 0.22 1.61 2.47 -0.84 -4.88 119.74 120.38 1xy3 s LYS 10 Ca 0.00 -0.86 0.09 0.00 -1.56 0.00 0.00 55.97 53.64 1xy3 s LYS 10 Cb 0.00 -2.14 -0.04 0.00 -1.46 0.00 0.00 37.83 34.19 1xy3 s LYS 10 CO 0.00 0.29 -0.06 0.34 0.16 0.00 0.00 175.35 176.08 1xy3 s ASP 11 N 0.04 4.34 -1.25 1.43 2.15 -1.26 -1.60 116.67 120.53 1xy3 s ASP 11 Ca -0.09 -0.62 -0.02 0.00 0.43 0.00 0.00 52.55 52.25 1xy3 s ASP 11 Cb -0.15 -0.75 0.00 0.00 -0.30 0.00 0.00 42.92 41.72 1xy3 s ASP 11 CO 0.05 0.06 1.01 0.59 -0.17 0.00 0.00 175.17 176.72 1xy3 n ASN 12 N -0.35 -2.86 -4.47 -0.34 3.02 -1.15 -4.96 115.26 104.15 1xy3 n ASN 12 Ca -0.09 -0.62 -0.43 0.00 -0.03 0.00 0.00 54.58 53.40 1xy3 n ASN 12 Cb 0.57 -5.00 -0.06 0.00 -0.61 0.00 0.00 39.78 34.68 1xy3 n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xy3 s VAL 13 N -3.38 4.79 0.11 2.41 1.01 -0.03 -4.87 120.40 120.44 1xy3 s VAL 13 Ca 0.13 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 1xy3 s VAL 13 Cb -0.06 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 1xy3 s VAL 13 CO 0.74 -0.80 0.92 -0.13 0.00 0.00 0.00 175.10 175.83 1xy3 s ARG 14 N 2.88 4.67 0.01 2.72 0.52 -1.26 -0.24 118.95 128.25 1xy3 s ARG 14 Ca 0.19 1.38 0.02 0.00 -0.52 0.00 0.00 55.73 56.80 1xy3 s ARG 14 Cb -0.17 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 1xy3 s ARG 14 CO 0.15 0.26 -0.06 0.08 0.02 0.00 0.00 175.30 175.75 1xy3 s VAL 15 N -0.14 0.47 -0.03 3.52 1.01 -0.39 -4.98 120.40 119.85 1xy3 s VAL 15 Ca 0.45 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1xy3 s VAL 15 Cb -0.23 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1xy3 s VAL 15 CO 0.29 -0.05 -0.05 -0.47 0.00 0.00 0.00 175.10 174.82 1xy3 s TYR 16 N -0.56 0.66 -0.03 5.22 6.14 -1.26 -1.66 117.35 125.85 1xy3 s TYR 16 Ca -0.02 -0.16 0.01 0.00 0.64 0.00 0.00 57.07 57.54 1xy3 s TYR 16 Cb -0.05 -0.56 0.02 0.00 0.42 0.00 0.00 41.96 41.79 1xy3 s TYR 16 CO 0.00 -0.13 -0.03 0.21 0.64 0.00 0.00 175.55 176.24 1xy3 s LYS 17 N 0.61 0.57 -0.04 4.97 2.20 -0.12 -5.00 119.74 122.93 1xy3 s LYS 17 Ca -0.08 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 1xy3 s LYS 17 Cb -0.11 -0.62 -0.03 0.00 -1.51 0.00 0.00 37.83 35.55 1xy3 s LYS 17 CO -0.00 -0.05 -0.02 0.54 -0.36 0.00 0.00 175.35 175.46 1xy3 s VAL 18 N 0.69 4.08 -0.21 4.02 0.11 -1.26 -1.36 120.40 126.47 1xy3 s VAL 18 Ca -0.08 -0.48 0.02 0.00 -2.93 0.00 0.00 61.98 58.51 1xy3 s VAL 18 Cb -0.11 -2.75 0.04 0.00 -1.53 0.00 0.00 36.38 32.02 1xy3 s VAL 18 CO -0.00 0.49 -0.15 -2.28 -3.33 0.00 0.00 175.10 169.83 1xy3 s HIS 19 N -0.96 2.89 -0.11 1.54 2.46 0.12 -4.97 115.29 116.25 1xy3 s HIS 19 Ca 0.16 -1.89 -0.06 0.00 0.47 0.00 0.00 55.06 53.74 1xy3 s HIS 19 Cb -0.11 -1.87 -0.04 0.00 -0.13 0.00 0.00 32.58 30.43 1xy3 s HIS 19 CO 0.06 -0.82 0.10 0.15 -2.47 0.00 0.00 174.74 171.76 1xy3 s LYS 20 N 1.24 3.34 -0.49 2.88 1.02 -1.26 -0.33 119.74 126.14 1xy3 s LYS 20 Ca -0.01 -0.20 -0.06 0.00 0.02 0.00 0.00 55.97 55.71 1xy3 s LYS 20 Cb -0.16 -3.09 0.13 0.00 -0.52 0.00 0.00 37.83 34.18 1xy3 s LYS 20 CO -0.09 0.75 0.33 0.34 -0.92 0.00 0.00 175.35 175.76 1xy3 s ASP 21 N -0.97 5.51 0.26 2.83 2.15 -1.02 -4.97 116.67 120.46 1xy3 s ASP 21 Ca 0.14 -2.14 -0.04 0.00 0.43 0.00 0.00 52.55 50.94 1xy3 s ASP 21 Cb -0.12 -1.93 0.52 0.00 -0.30 0.00 0.00 42.92 41.10 1xy3 s ASP 21 CO 0.03 -0.58 1.64 -0.33 -0.17 0.00 0.00 175.17 175.77 1xy3 h GLU 22 N 8.04 0.14 0.13 4.34 5.08 -1.94 1.88 114.58 132.25 1xy3 h GLU 22 Ca -0.14 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1xy3 h GLU 22 Cb 1.04 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1xy3 h GLU 22 CO 0.77 0.10 -0.06 0.87 -1.00 0.00 0.00 179.01 179.69 1xy3 h LYS 23 N 0.15 -0.16 0.00 2.33 1.57 -1.99 -3.33 116.57 115.14 1xy3 h LYS 23 Ca 0.45 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1xy3 h LYS 23 Cb 0.84 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1xy3 h LYS 23 CO -0.65 -0.09 -1.43 0.25 -0.57 0.00 0.00 179.45 176.96 1xy3 n THR 24 N -5.15 0.00 -0.99 -0.16 -2.24 -1.00 -4.98 114.28 99.76 1xy3 n THR 24 Ca -0.08 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1xy3 n THR 24 Cb 0.10 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1xy3 n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xy3 n GLY 25 N 1.44 0.84 3.62 3.38 0.00 0.63 -4.98 105.19 110.12 1xy3 n GLY 25 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1xy3 n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xy3 s VAL 26 N -3.38 4.04 0.13 1.61 1.01 -1.24 -4.68 120.40 117.89 1xy3 s VAL 26 Ca 0.00 1.14 -0.09 0.00 0.00 0.00 0.00 61.98 63.04 1xy3 s VAL 26 Cb 0.00 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 1xy3 s VAL 26 CO 0.00 -0.56 0.43 -1.10 0.00 0.00 0.00 175.10 173.87 1xy3 s GLN 27 N 4.43 3.75 -0.04 2.72 -0.21 -0.24 -2.42 119.66 127.65 1xy3 s GLN 27 Ca 0.59 0.14 0.01 0.00 0.02 0.00 0.00 55.36 56.12 1xy3 s GLN 27 Cb -0.16 -2.89 0.02 0.00 1.00 0.00 0.00 33.01 30.97 1xy3 s GLN 27 CO 0.26 0.49 -0.06 0.99 -2.12 0.00 0.00 175.29 174.86 1xy3 s THR 28 N -1.54 0.60 0.23 -0.19 2.01 0.55 -4.59 115.64 112.70 1xy3 s THR 28 Ca 0.38 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.28 1xy3 s THR 28 Cb -0.13 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1xy3 s THR 28 CO 0.20 0.23 0.03 0.68 -0.69 0.00 0.00 174.62 175.07 1xy3 s VAL 29 N 0.72 3.71 -0.05 3.82 -7.23 -1.26 0.12 120.40 120.23 1xy3 s VAL 29 Ca -0.10 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.41 1xy3 s VAL 29 Cb -0.13 -2.94 0.03 0.00 0.56 0.00 0.00 36.38 33.90 1xy3 s VAL 29 CO 0.01 -0.26 0.12 -0.31 -0.31 0.00 0.00 175.10 174.34 1xy3 s TYR 30 N -2.05 -0.12 -0.01 2.82 2.02 -0.46 -4.92 117.35 114.63 1xy3 s TYR 30 Ca 0.30 0.37 0.03 0.00 -0.37 0.00 0.00 57.07 57.40 1xy3 s TYR 30 Cb -0.08 -0.08 -0.01 0.00 -0.40 0.00 0.00 41.96 41.40 1xy3 s TYR 30 CO 0.20 -0.13 -0.11 -2.00 -1.57 0.00 0.00 175.55 171.95 1xy3 s GLU 31 N 0.87 0.87 -0.04 -0.62 2.12 -1.26 -0.94 118.70 119.69 1xy3 s GLU 31 Ca -0.07 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.56 1xy3 s GLU 31 Cb -0.09 -0.84 0.07 0.00 0.26 0.00 0.00 34.13 33.54 1xy3 s GLU 31 CO -0.04 0.23 0.69 0.00 -0.54 0.00 0.00 175.26 175.60 1xy3 s MET 32 N -0.29 1.05 -0.21 4.30 0.23 -0.67 -1.56 119.30 122.14 1xy3 s MET 32 Ca 0.04 0.19 -0.08 0.00 -1.03 0.00 0.00 55.69 54.81 1xy3 s MET 32 Cb -0.04 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.71 1xy3 s MET 32 CO -0.00 -0.34 0.09 0.99 -2.03 0.00 0.00 175.02 173.73 1xy3 s THR 33 N -1.41 4.81 0.08 3.16 2.01 0.31 -1.26 115.64 123.34 1xy3 s THR 33 Ca -0.09 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 61.95 1xy3 s THR 33 Cb -0.00 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1xy3 s THR 33 CO 0.07 0.40 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.64 1xy3 s VAL 34 N 0.87 3.57 -0.06 3.82 1.01 0.67 -0.75 120.40 129.53 1xy3 s VAL 34 Ca 0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 1xy3 s VAL 34 Cb -0.13 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.64 1xy3 s VAL 34 CO 0.03 0.18 0.12 0.00 0.00 0.00 0.00 175.10 175.43 1xy3 s VAL 36 N 1.74 1.32 -0.08 0.00 1.01 -0.63 -0.30 120.40 123.46 1xy3 s VAL 36 Ca -0.02 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1xy3 s VAL 36 Cb -0.12 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1xy3 s VAL 36 CO -0.05 0.39 -0.14 -0.76 0.00 0.00 0.00 175.10 174.54 1xy3 s LEU 37 N 1.59 2.71 0.19 3.92 1.43 0.25 -1.98 118.68 126.78 1xy3 s LEU 37 Ca 0.05 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 1xy3 s LEU 37 Cb -0.13 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1xy3 s LEU 37 CO -0.09 0.28 -0.02 -0.76 0.23 0.00 0.00 176.35 175.98 1xy3 s LEU 38 N -0.33 3.22 0.02 1.79 1.43 0.21 -0.12 118.68 124.92 1xy3 s LEU 38 Ca 0.03 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1xy3 s LEU 38 Cb -0.13 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1xy3 s LEU 38 CO 0.02 0.08 -0.06 -1.61 0.23 0.00 0.00 176.35 175.02 1xy3 s GLU 39 N -3.01 0.41 0.00 1.70 2.02 0.17 -2.67 118.70 117.33 1xy3 s GLU 39 Ca 0.27 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1xy3 s GLU 39 Cb -0.09 -0.21 0.00 0.00 0.10 0.00 0.00 34.13 33.94 1xy3 s GLU 39 CO 0.18 0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.91 1xy3 n GLY 40 N 1.95 -0.56 2.74 -1.39 0.00 -1.26 -1.39 105.19 105.28 1xy3 n GLY 40 Ca -0.20 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1xy3 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xy3 n GLU 41 N 0.00 3.27 -0.04 1.61 1.02 0.18 -4.48 120.64 122.19 1xy3 n GLU 41 Ca 0.00 -2.95 0.03 0.00 -0.02 0.00 0.00 57.16 54.22 1xy3 n GLU 41 Cb 0.00 -3.10 0.05 0.00 -0.02 0.00 0.00 31.44 28.38 1xy3 n GLU 41 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1xy3 n ILE 42 N 4.20 0.42 -0.33 -3.67 -5.35 -1.26 -4.74 119.36 108.63 1xy3 n ILE 42 Ca 0.50 -0.71 0.23 0.00 -0.27 0.00 0.00 62.75 62.49 1xy3 n ILE 42 Cb 0.36 0.87 0.45 0.00 -1.74 0.00 0.00 39.64 39.58 1xy3 n ILE 42 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1xy3 h GLU 43 N 1.21 0.24 -0.30 6.28 3.07 -1.98 -1.11 114.58 121.99 1xy3 h GLU 43 Ca 0.00 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.92 1xy3 h GLU 43 Cb 0.42 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1xy3 h GLU 43 CO 0.00 0.16 0.21 1.79 -1.40 0.00 0.00 179.01 179.77 1xy3 h THR 44 N 0.25 0.88 -0.15 1.13 1.35 -1.89 -1.46 112.91 113.02 1xy3 h THR 44 Ca 0.72 -0.02 -0.05 0.00 -0.55 0.00 0.00 66.41 66.50 1xy3 h THR 44 Cb 1.64 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 1xy3 h THR 44 CO -0.65 0.01 -0.15 0.77 -0.25 0.00 0.00 175.52 175.26 1xy3 h SER 45 N 0.07 0.23 0.00 5.36 4.64 -1.20 1.08 113.55 123.72 1xy3 h SER 45 Ca 0.14 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1xy3 h SER 45 Cb 0.47 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1xy3 h SER 45 CO -0.01 0.41 -0.05 1.88 -0.87 0.00 0.00 176.83 178.19 1xy3 h TYR 46 N 0.23 0.00 0.04 4.77 -1.99 -1.44 -2.72 116.97 115.86 1xy3 h TYR 46 Ca 0.05 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.55 1xy3 h TYR 46 Cb 0.40 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 1xy3 h TYR 46 CO 0.01 0.62 -1.00 1.79 -0.00 0.00 0.00 178.16 179.58 1xy3 h THR 47 N -1.00 1.51 -0.00 -2.88 1.35 -1.32 -3.38 112.91 107.20 1xy3 h THR 47 Ca -0.01 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 1xy3 h THR 47 Cb 0.63 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1xy3 h THR 47 CO -0.01 0.82 -0.01 0.29 -0.25 0.00 0.00 175.52 176.36 1xy3 n LYS 48 N -3.60 1.20 -2.80 4.72 4.76 0.36 -5.00 118.16 117.80 1xy3 n LYS 48 Ca -0.05 -0.42 -0.18 0.00 -2.87 0.00 0.00 58.31 54.79 1xy3 n LYS 48 Cb 0.89 -0.90 0.02 0.00 -1.84 0.00 0.00 35.03 33.20 1xy3 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xy3 n ALA 49 N -0.23 -0.76 -2.55 7.82 0.00 -0.16 -4.93 120.51 119.70 1xy3 n ALA 49 Ca 0.01 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 1xy3 n ALA 49 Cb 0.03 -3.12 -0.06 0.00 0.00 0.00 0.00 19.45 16.29 1xy3 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xy3 s ASP 50 N -2.67 6.32 0.17 0.00 2.15 -1.04 -4.91 116.67 116.70 1xy3 s ASP 50 Ca 0.21 -0.37 0.24 0.00 0.43 0.00 0.00 52.55 53.07 1xy3 s ASP 50 Cb -0.09 -2.33 0.41 0.00 -0.30 0.00 0.00 42.92 40.61 1xy3 s ASP 50 CO 0.26 -0.82 1.42 0.78 -0.17 0.00 0.00 175.17 176.64 1xy3 h ASN 51 N 8.92 0.00 0.00 -0.34 2.35 -1.91 -3.22 115.58 121.37 1xy3 h ASN 51 Ca -0.26 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1xy3 h ASN 51 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1xy3 h ASN 51 CO 0.91 0.06 0.11 -1.54 -1.65 0.00 0.00 177.43 175.33 1xy3 n SER 52 N -2.28 0.12 -0.80 5.81 3.41 -1.26 -0.08 113.62 118.54 1xy3 n SER 52 Ca 0.03 0.47 0.09 0.00 -0.26 0.00 0.00 58.87 59.20 1xy3 n SER 52 Cb 0.46 -0.47 0.12 0.00 -0.26 0.00 0.00 64.21 64.06 1xy3 n SER 52 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xy3 n VAL 53 N -1.60 0.28 -3.67 -3.33 0.24 -1.26 -4.94 118.33 104.05 1xy3 n VAL 53 Ca -0.00 -0.64 -0.38 0.00 -2.04 0.00 0.00 64.34 61.27 1xy3 n VAL 53 Cb 0.12 1.13 -0.12 0.00 -1.47 0.00 0.00 33.84 33.50 1xy3 n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xy3 s ILE 54 N -1.34 4.50 -0.69 1.34 1.09 0.89 -4.85 121.20 122.14 1xy3 s ILE 54 Ca 0.25 -0.48 -0.27 0.00 -1.10 0.00 0.00 60.65 59.06 1xy3 s ILE 54 Cb 0.16 -3.31 0.03 0.00 -1.06 0.00 0.00 42.46 38.29 1xy3 s ILE 54 CO 0.23 0.06 1.24 -0.69 -0.10 0.00 0.00 174.94 175.68 1xy3 s VAL 55 N 1.59 3.84 0.06 2.92 1.01 -1.26 -4.94 120.40 123.62 1xy3 s VAL 55 Ca 0.04 0.53 -0.32 0.00 0.00 0.00 0.00 61.98 62.23 1xy3 s VAL 55 Cb -0.17 -4.85 -0.17 0.00 0.00 0.00 0.00 36.38 31.19 1xy3 s VAL 55 CO 0.06 -1.68 0.78 0.00 0.00 0.00 0.00 175.10 174.25 1xy3 n ALA 56 N 9.01 -3.06 -0.31 5.51 0.00 -1.26 -4.71 120.51 125.68 1xy3 n ALA 56 Ca 0.04 0.48 0.03 0.00 0.00 0.00 0.00 53.44 53.99 1xy3 n ALA 56 Cb 0.49 -1.50 0.22 0.00 0.00 0.00 0.00 19.45 18.66 1xy3 n ALA 56 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xy3 h THR 57 N 2.05 1.09 -0.77 0.00 1.35 -1.92 0.95 112.91 115.65 1xy3 h THR 57 Ca -0.38 -0.37 0.08 0.00 -0.55 0.00 0.00 66.41 65.19 1xy3 h THR 57 Cb 1.26 -0.08 -0.05 0.00 -1.73 0.00 0.00 68.15 67.54 1xy3 h THR 57 CO 0.55 0.20 0.51 -0.78 -0.25 0.00 0.00 175.52 175.74 1xy3 h ASP 58 N 1.08 0.67 0.47 5.36 3.58 -1.95 0.44 116.42 126.07 1xy3 h ASP 58 Ca 0.39 0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.73 1xy3 h ASP 58 Cb 0.15 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1xy3 h ASP 58 CO -0.14 0.41 -0.53 0.28 -2.88 0.00 0.00 179.24 176.38 1xy3 h SER 59 N 0.75 0.08 -0.03 2.28 0.02 -1.18 -1.30 113.55 114.17 1xy3 h SER 59 Ca 0.35 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.15 1xy3 h SER 59 Cb 0.38 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1xy3 h SER 59 CO -0.13 0.59 -0.31 0.40 -1.14 0.00 0.00 176.83 176.24 1xy3 h ILE 60 N 0.05 1.28 -0.07 3.27 2.04 0.86 -0.99 117.51 123.95 1xy3 h ILE 60 Ca -0.00 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.45 1xy3 h ILE 60 Cb 0.96 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1xy3 h ILE 60 CO 0.07 0.44 -0.03 0.50 0.00 0.00 0.00 178.15 179.13 1xy3 h LYS 61 N 0.42 0.15 -0.35 2.37 3.64 -0.53 -2.40 116.57 119.88 1xy3 h LYS 61 Ca 0.05 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1xy3 h LYS 61 Cb 0.76 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.50 1xy3 h LYS 61 CO 0.06 0.51 -0.08 -0.91 -2.27 0.00 0.00 179.45 176.76 1xy3 h ASN 62 N -0.22 -0.32 -0.88 4.20 2.35 -1.09 -0.96 115.58 118.66 1xy3 h ASN 62 Ca 0.02 0.10 0.15 0.00 -0.55 0.00 0.00 56.30 56.02 1xy3 h ASN 62 Cb 0.46 0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.98 1xy3 h ASN 62 CO 0.01 -0.11 0.57 0.74 -1.65 0.00 0.00 177.43 176.99 1xy3 h THR 63 N 0.00 0.82 -0.00 2.81 2.02 -1.09 -0.61 112.91 116.86 1xy3 h THR 63 Ca 0.17 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1xy3 h THR 63 Cb 0.25 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1xy3 h THR 63 CO -0.35 0.12 0.00 0.40 0.37 0.00 0.00 175.52 176.05 1xy3 h ILE 64 N 0.65 1.18 -0.29 3.11 2.04 -0.66 0.12 117.51 123.66 1xy3 h ILE 64 Ca 0.44 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1xy3 h ILE 64 Cb 0.76 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1xy3 h ILE 64 CO -0.20 0.14 0.19 1.88 0.00 0.00 0.00 178.15 180.16 1xy3 h TYR 65 N -0.23 0.37 -0.60 1.37 0.05 -0.94 -1.45 116.97 115.53 1xy3 h TYR 65 Ca 0.00 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1xy3 h TYR 65 Cb 0.23 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 1xy3 h TYR 65 CO 0.00 0.24 0.24 0.82 -1.05 0.00 0.00 178.16 178.42 1xy3 h ILE 66 N 0.39 1.21 -0.46 -2.88 2.04 -1.08 -1.34 117.51 115.39 1xy3 h ILE 66 Ca 0.11 -0.66 -0.13 0.00 1.00 0.00 0.00 64.86 65.17 1xy3 h ILE 66 Cb -0.03 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1xy3 h ILE 66 CO -0.02 0.26 -0.23 0.74 0.00 0.00 0.00 178.15 178.90 1xy3 h THR 67 N 0.86 1.27 -0.06 -0.27 2.02 -0.61 -2.51 112.91 113.61 1xy3 h THR 67 Ca 0.21 -1.40 -0.10 0.00 0.77 0.00 0.00 66.41 65.89 1xy3 h THR 67 Cb 0.16 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1xy3 h THR 67 CO -0.02 0.48 -0.44 0.00 0.37 0.00 0.00 175.52 175.91 1xy3 h ALA 68 N 0.90 1.15 -0.57 6.16 0.00 -0.97 -2.02 119.26 123.90 1xy3 h ALA 68 Ca 0.10 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1xy3 h ALA 68 Cb 0.81 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1xy3 h ALA 68 CO 0.07 0.59 -0.08 -0.22 0.00 0.00 0.00 179.25 179.61 1xy3 h LYS 69 N 0.11 1.05 -0.08 0.00 1.63 -0.96 -3.23 116.57 115.09 1xy3 h LYS 69 Ca 0.01 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1xy3 h LYS 69 Cb 0.83 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1xy3 h LYS 69 CO 0.06 1.07 0.00 1.04 -3.45 0.00 0.00 179.45 178.18 1xy3 n GLN 70 N -4.16 2.25 -4.26 1.90 6.02 -0.97 -4.98 117.38 113.18 1xy3 n GLN 70 Ca 0.02 -1.83 -0.14 0.00 -0.01 0.00 0.00 57.00 55.04 1xy3 n GLN 70 Cb 0.39 -1.47 -0.10 0.00 1.02 0.00 0.00 30.24 30.08 1xy3 n GLN 70 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xy3 s ASN 71 N -1.92 0.66 -0.07 1.08 0.01 -0.77 -5.09 114.94 108.84 1xy3 s ASN 71 Ca 0.31 -1.39 -0.28 0.00 -0.71 0.00 0.00 52.86 50.79 1xy3 s ASN 71 Cb 0.20 0.27 -0.02 0.00 0.41 0.00 0.00 41.25 42.12 1xy3 s ASN 71 CO 0.31 -0.79 0.93 -2.84 -1.51 0.00 0.00 177.10 173.20 1xy3 s PRO 72 N -4.10 4.45 0.00 -0.60 0.02 -1.26 -4.72 135.00 128.79 1xy3 s PRO 72 Ca 0.38 1.28 0.30 0.00 0.02 0.00 0.00 61.00 62.99 1xy3 s PRO 72 Cb 0.07 -3.51 1.59 0.00 0.02 0.00 0.00 34.50 32.68 1xy3 s PRO 72 CO 0.13 -0.18 2.05 1.33 -0.33 0.00 0.00 177.00 180.00 1xy3 n VAL 73 N 4.25 0.01 -3.93 3.83 0.24 -1.26 -4.28 118.33 117.19 1xy3 n VAL 73 Ca 0.06 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.34 62.15 1xy3 n VAL 73 Cb 0.50 -0.18 -0.14 0.00 -1.47 0.00 0.00 33.84 32.55 1xy3 n VAL 73 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xy3 s THR 74 N -1.99 0.08 0.74 3.34 -1.32 -1.26 -3.75 115.64 111.48 1xy3 s THR 74 Ca 0.44 -0.06 -0.11 0.00 -1.21 0.00 0.00 61.69 60.75 1xy3 s THR 74 Cb 0.21 -0.08 0.04 0.00 -1.51 0.00 0.00 72.50 71.16 1xy3 s THR 74 CO 0.35 0.01 1.08 -2.84 -2.21 0.00 0.00 174.62 171.01 1xy3 s PRO 75 N -0.05 2.52 0.48 7.08 0.02 -1.26 -4.90 135.00 138.90 1xy3 s PRO 75 Ca 0.00 1.09 0.16 0.00 0.02 0.00 0.00 61.00 62.27 1xy3 s PRO 75 Cb -0.01 -1.93 1.18 0.00 0.02 0.00 0.00 34.50 33.76 1xy3 s PRO 75 CO -0.00 -1.43 2.05 -1.00 -0.33 0.00 0.00 177.00 176.29 1xy3 h PRO 76 N -0.96 0.18 -0.31 5.54 0.13 -1.94 -1.94 132.00 132.70 1xy3 h PRO 76 Ca -0.44 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1xy3 h PRO 76 Cb 1.22 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1xy3 h PRO 76 CO 0.53 0.12 0.16 0.93 -0.23 0.00 0.00 178.00 179.52 1xy3 h GLU 77 N 0.19 0.43 0.23 0.86 3.07 -1.95 -1.49 114.58 115.93 1xy3 h GLU 77 Ca 0.16 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 1xy3 h GLU 77 Cb 0.39 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1xy3 h GLU 77 CO -0.03 0.38 -0.11 1.25 -1.40 0.00 0.00 179.01 179.10 1xy3 h LEU 78 N 0.37 -0.26 -0.99 1.33 5.85 -1.74 -2.18 115.31 117.69 1xy3 h LEU 78 Ca 0.11 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.87 1xy3 h LEU 78 Cb 0.08 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 1xy3 h LEU 78 CO -0.02 -0.12 0.62 0.15 -0.34 0.00 0.00 178.44 178.74 1xy3 h PHE 79 N -0.39 1.15 -0.34 1.25 3.57 -1.39 -0.28 116.94 120.51 1xy3 h PHE 79 Ca -0.03 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 1xy3 h PHE 79 Cb 0.30 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1xy3 h PHE 79 CO -0.04 0.53 -0.25 0.78 -2.23 0.00 0.00 178.31 177.10 1xy3 h GLY 80 N 1.07 0.75 0.85 2.40 0.00 -1.18 -0.01 103.07 106.95 1xy3 h GLY 80 Ca 0.46 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1xy3 h GLY 80 CO -0.22 0.59 0.04 1.76 0.00 0.00 0.00 176.54 178.71 1xy3 h SER 81 N 0.60 0.37 0.02 0.19 0.02 -0.62 -0.23 113.55 113.91 1xy3 h SER 81 Ca 0.08 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1xy3 h SER 81 Cb 0.74 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1xy3 h SER 81 CO 0.06 0.54 -0.01 0.40 -1.14 0.00 0.00 176.83 176.68 1xy3 h ILE 82 N 0.19 1.02 -0.83 3.27 2.04 -0.93 -0.08 117.51 122.18 1xy3 h ILE 82 Ca 0.07 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1xy3 h ILE 82 Cb 0.33 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1xy3 h ILE 82 CO 0.00 0.03 0.55 0.25 0.00 0.00 0.00 178.15 178.98 1xy3 h LEU 83 N -0.08 0.94 -0.10 1.44 5.85 -0.94 -2.08 115.31 120.33 1xy3 h LEU 83 Ca -0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1xy3 h LEU 83 Cb 0.07 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1xy3 h LEU 83 CO 0.01 0.67 -0.03 1.23 -0.34 0.00 0.00 178.44 179.98 1xy3 h GLY 84 N 1.11 0.22 1.02 3.75 0.00 -0.83 -3.16 103.07 105.18 1xy3 h GLY 84 Ca 0.31 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.50 1xy3 h GLY 84 CO -0.08 0.17 0.54 -0.84 0.00 0.00 0.00 176.54 176.33 1xy3 h THR 85 N -0.13 1.10 -0.48 4.70 2.02 -0.87 -2.82 112.91 116.44 1xy3 h THR 85 Ca 0.03 -0.34 0.10 0.00 0.77 0.00 0.00 66.41 66.96 1xy3 h THR 85 Cb 0.45 0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 66.80 1xy3 h THR 85 CO 0.01 0.18 -0.12 -0.74 0.37 0.00 0.00 175.52 175.22 1xy3 h HIS 86 N 0.98 -0.27 -0.35 3.16 6.17 -1.34 -2.53 115.15 120.98 1xy3 h HIS 86 Ca 0.34 0.04 -0.01 0.00 0.71 0.00 0.00 60.37 61.45 1xy3 h HIS 86 Cb 0.10 0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.20 1xy3 h HIS 86 CO -0.00 -0.21 0.18 0.74 0.71 0.00 0.00 177.93 179.35 1xy3 h PHE 87 N -0.01 0.49 -0.06 5.26 0.04 -1.57 -0.76 116.94 120.34 1xy3 h PHE 87 Ca 0.23 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.90 1xy3 h PHE 87 Cb 0.36 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1xy3 h PHE 87 CO -0.41 0.41 -0.32 -0.84 -0.60 0.00 0.00 178.31 176.55 1xy3 h ILE 88 N 0.43 1.25 0.11 -0.55 3.07 -1.55 -2.40 117.51 117.88 1xy3 h ILE 88 Ca 0.12 -1.21 -0.15 0.00 1.55 0.00 0.00 64.86 65.17 1xy3 h ILE 88 Cb 0.09 1.56 0.02 0.00 -0.27 0.00 0.00 36.82 38.22 1xy3 h ILE 88 CO -0.02 0.35 -0.68 -0.33 -1.05 0.00 0.00 178.15 176.43 1xy3 h GLU 89 N 0.11 0.23 -0.60 0.16 5.08 -1.36 -3.37 114.58 114.82 1xy3 h GLU 89 Ca 0.01 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 1xy3 h GLU 89 Cb 0.62 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1xy3 h GLU 89 CO 0.05 1.19 0.14 -0.22 -1.00 0.00 0.00 179.01 179.17 1xy3 h LYS 90 N -0.50 0.97 -5.62 2.33 1.63 -1.14 -3.42 116.57 110.82 1xy3 h LYS 90 Ca -0.12 -0.24 -0.66 0.00 -0.85 0.00 0.00 60.65 58.78 1xy3 h LYS 90 Cb 1.51 -0.13 -0.21 0.00 -0.60 0.00 0.00 32.23 32.81 1xy3 h LYS 90 CO 0.11 0.89 -0.68 0.71 -3.45 0.00 0.00 179.45 177.04 1xy3 s TYR 91 N -5.29 2.99 -0.81 1.91 2.02 -0.90 -5.01 117.35 112.26 1xy3 s TYR 91 Ca -0.12 -0.18 0.26 0.00 -0.37 0.00 0.00 57.07 56.66 1xy3 s TYR 91 Cb 0.13 -1.86 0.78 0.00 -0.40 0.00 0.00 41.96 40.61 1xy3 s TYR 91 CO 0.82 0.11 1.67 0.09 -1.57 0.00 0.00 175.55 176.67 1xy3 n ASN 92 N 3.01 0.54 -0.76 2.29 3.02 -1.26 -3.49 115.26 118.61 1xy3 n ASN 92 Ca -0.18 0.35 0.10 0.00 -0.03 0.00 0.00 54.58 54.83 1xy3 n ASN 92 Cb 0.53 -0.38 0.07 0.00 -0.61 0.00 0.00 39.78 39.39 1xy3 n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xy3 n HIS 93 N -1.94 0.00 -3.51 3.10 1.44 -1.26 -4.85 115.22 108.19 1xy3 n HIS 93 Ca 0.05 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.37 1xy3 n HIS 93 Cb 0.40 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.40 1xy3 n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1xy3 s ILE 94 N -1.81 5.26 -0.20 0.61 -1.09 -1.23 -0.65 121.20 122.09 1xy3 s ILE 94 Ca 0.23 0.08 0.11 0.00 -2.23 0.00 0.00 60.65 58.83 1xy3 s ILE 94 Cb 0.17 -3.66 -0.15 0.00 -1.58 0.00 0.00 42.46 37.24 1xy3 s ILE 94 CO 0.30 0.09 0.32 1.41 -1.23 0.00 0.00 174.94 175.83 1xy3 n HIS 95 N 5.17 0.00 -3.79 3.97 8.25 -0.48 -4.50 115.22 123.83 1xy3 n HIS 95 Ca -0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.21 1xy3 n HIS 95 Cb 0.51 -0.15 -0.14 0.00 1.12 0.00 0.00 29.99 31.33 1xy3 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xy3 s ALA 96 N -2.45 -0.22 -0.09 -1.41 0.00 -0.96 0.98 121.76 117.60 1xy3 s ALA 96 Ca -0.01 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.43 1xy3 s ALA 96 Cb 0.07 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1xy3 s ALA 96 CO 0.44 -0.10 -0.13 0.00 0.00 0.00 0.00 175.76 175.97 1xy3 s ALA 97 N 0.65 1.45 -0.26 0.00 0.00 0.39 -0.65 121.76 123.33 1xy3 s ALA 97 Ca -0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 1xy3 s ALA 97 Cb -0.07 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1xy3 s ALA 97 CO -0.03 -0.02 -0.02 -1.01 0.00 0.00 0.00 175.76 174.68 1xy3 s HIS 98 N 0.92 3.08 -0.14 0.00 3.76 0.84 -1.37 115.29 122.37 1xy3 s HIS 98 Ca -0.09 -1.35 -0.00 0.00 -0.15 0.00 0.00 55.06 53.47 1xy3 s HIS 98 Cb -0.15 -2.11 -0.01 0.00 1.11 0.00 0.00 32.58 31.42 1xy3 s HIS 98 CO 0.00 -0.67 -0.14 0.08 -0.85 0.00 0.00 174.74 173.17 1xy3 s VAL 99 N 1.38 2.93 -0.13 -0.90 1.01 0.02 -0.59 120.40 124.13 1xy3 s VAL 99 Ca 0.01 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1xy3 s VAL 99 Cb -0.17 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1xy3 s VAL 99 CO -0.03 0.52 -0.23 0.21 0.00 0.00 0.00 175.10 175.58 1xy3 s ASN 100 N 0.53 3.10 -0.06 3.32 2.47 0.59 -0.30 114.94 124.59 1xy3 s ASN 100 Ca -0.09 -0.59 0.04 0.00 0.42 0.00 0.00 52.86 52.64 1xy3 s ASN 100 Cb -0.16 -1.43 0.00 0.00 -1.45 0.00 0.00 41.25 38.21 1xy3 s ASN 100 CO 0.04 0.10 -0.18 -0.63 -3.72 0.00 0.00 177.10 172.71 1xy3 s ILE 101 N 0.69 1.57 -0.21 -5.21 1.01 -0.29 -0.90 121.20 117.85 1xy3 s ILE 101 Ca -0.10 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 1xy3 s ILE 101 Cb -0.16 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.95 1xy3 s ILE 101 CO 0.01 0.45 -0.09 -0.69 0.00 0.00 0.00 174.94 174.62 1xy3 s VAL 102 N 0.24 2.97 -0.42 2.92 1.01 0.07 -1.82 120.40 125.37 1xy3 s VAL 102 Ca -0.10 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 1xy3 s VAL 102 Cb -0.14 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1xy3 s VAL 102 CO 0.04 0.43 0.43 0.00 0.00 0.00 0.00 175.10 176.01 1xy3 s HIS 104 N 2.13 3.46 -0.08 0.00 3.76 -0.60 -2.89 115.29 121.07 1xy3 s HIS 104 Ca 0.12 1.56 -0.27 0.00 -0.15 0.00 0.00 55.06 56.32 1xy3 s HIS 104 Cb -0.17 -2.79 -0.03 0.00 1.11 0.00 0.00 32.58 30.71 1xy3 s HIS 104 CO 0.14 0.06 0.85 1.03 -0.85 0.00 0.00 174.74 175.97 1xy3 s ARG 105 N -2.71 4.43 -0.43 1.40 0.52 -1.26 -4.49 118.95 116.42 1xy3 s ARG 105 Ca 0.55 1.14 0.05 0.00 -0.52 0.00 0.00 55.73 56.95 1xy3 s ARG 105 Cb -0.13 -3.50 0.20 0.00 0.52 0.00 0.00 34.95 32.04 1xy3 s ARG 105 CO 0.18 -0.12 0.41 0.91 0.02 0.00 0.00 175.30 176.70 1xy3 n TRP 106 N 4.36 -0.41 -2.67 -0.53 5.03 -1.26 -4.29 117.44 117.66 1xy3 n TRP 106 Ca 0.04 -3.46 -0.40 0.00 3.03 0.00 0.00 57.50 56.71 1xy3 n TRP 106 Cb 0.50 0.01 -0.05 0.00 -1.03 0.00 0.00 31.31 30.74 1xy3 n TRP 106 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 1xy3 s THR 107 N -0.46 3.91 0.13 -0.99 2.01 -0.22 -4.73 115.64 115.28 1xy3 s THR 107 Ca 0.33 1.91 -0.31 0.00 0.31 0.00 0.00 61.69 63.94 1xy3 s THR 107 Cb 0.08 -4.22 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 1xy3 s THR 107 CO -0.17 0.45 1.74 -0.60 -0.69 0.00 0.00 174.62 175.35 1xy3 s ARG 108 N -1.23 4.16 0.56 4.92 3.52 -1.26 -0.27 118.95 129.34 1xy3 s ARG 108 Ca 0.42 2.50 -0.20 0.00 -0.13 0.00 0.00 55.73 58.32 1xy3 s ARG 108 Cb -0.28 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.60 1xy3 s ARG 108 CO 0.35 -0.77 1.21 -1.64 -0.81 0.00 0.00 175.30 173.64 1xy3 s MET 109 N 2.29 3.17 -0.35 5.12 -1.94 -0.36 -4.86 119.30 122.38 1xy3 s MET 109 Ca 0.77 1.86 -0.01 0.00 -1.71 0.00 0.00 55.69 56.60 1xy3 s MET 109 Cb -0.45 -2.07 0.08 0.00 2.01 0.00 0.00 34.83 34.41 1xy3 s MET 109 CO 0.34 -1.06 0.08 -0.51 -0.01 0.00 0.00 175.02 173.86 1xy3 s ASP 110 N -1.48 4.99 -0.19 3.03 1.01 -1.26 -1.65 116.67 121.12 1xy3 s ASP 110 Ca 0.74 -1.71 -0.07 0.00 0.71 0.00 0.00 52.55 52.21 1xy3 s ASP 110 Cb -0.31 -1.73 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 1xy3 s ASP 110 CO 0.35 -0.38 0.06 -0.63 0.21 0.00 0.00 175.17 174.78 1xy3 s ILE 111 N 1.14 4.72 -1.10 0.77 -1.09 -0.86 -4.43 121.20 120.36 1xy3 s ILE 111 Ca 0.02 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 1xy3 s ILE 111 Cb -0.21 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1xy3 s ILE 111 CO -0.04 0.45 0.00 0.47 -1.23 0.00 0.00 174.94 174.59 1xy3 n ASP 112 N 3.68 -4.58 0.00 3.58 8.00 -1.26 -0.56 116.55 125.41 1xy3 n ASP 112 Ca -0.16 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1xy3 n ASP 112 Cb 0.52 -3.59 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 1xy3 n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xy3 n GLY 113 N 0.12 0.52 3.15 0.44 0.00 -1.26 -5.07 105.19 103.08 1xy3 n GLY 113 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1xy3 n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xy3 s LYS 114 N -0.91 2.62 -0.16 1.61 -2.85 0.28 -5.09 119.74 115.23 1xy3 s LYS 114 Ca 0.00 -0.73 -0.34 0.00 -1.00 0.00 0.00 55.97 53.90 1xy3 s LYS 114 Cb 0.00 -2.05 -0.11 0.00 -2.06 0.00 0.00 37.83 33.61 1xy3 s LYS 114 CO 0.00 0.10 1.96 -0.35 0.10 0.00 0.00 175.35 177.16 1xy3 n PRO 115 N 3.72 1.89 -1.72 1.78 -0.04 -1.26 -2.03 135.00 137.34 1xy3 n PRO 115 Ca -0.20 0.66 -0.34 0.00 -0.04 0.00 0.00 63.50 63.58 1xy3 n PRO 115 Cb 0.52 -2.64 0.06 0.00 -0.04 0.00 0.00 33.50 31.40 1xy3 n PRO 115 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1xy3 s HIS 116 N 5.08 2.40 -0.60 0.54 2.46 -0.66 -4.93 115.29 119.58 1xy3 s HIS 116 Ca 0.97 1.56 0.24 0.00 0.47 0.00 0.00 55.06 58.31 1xy3 s HIS 116 Cb -0.71 -3.32 0.39 0.00 -0.13 0.00 0.00 32.58 28.81 1xy3 s HIS 116 CO 0.51 -2.06 1.39 -1.00 -2.47 0.00 0.00 174.74 171.11 1xy3 h PRO 117 N 0.13 0.00 -0.02 2.88 0.13 -1.92 -3.41 132.00 129.79 1xy3 h PRO 117 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1xy3 h PRO 117 Cb 1.27 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.18 1xy3 h PRO 117 CO 0.53 0.00 -0.54 -2.39 -0.23 0.00 0.00 178.00 175.37 1xy3 n HIS 118 N -2.27 -0.14 -4.77 1.56 1.44 -1.26 -1.08 115.22 108.70 1xy3 n HIS 118 Ca 0.03 -0.69 -0.26 0.00 -2.01 0.00 0.00 57.72 54.79 1xy3 n HIS 118 Cb 0.46 0.38 -0.16 0.00 0.12 0.00 0.00 29.99 30.79 1xy3 n HIS 118 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1xy3 s SER 119 N -1.42 2.12 0.18 4.39 0.01 -1.26 -5.07 113.70 112.65 1xy3 s SER 119 Ca 0.12 -0.36 0.06 0.00 1.31 0.00 0.00 55.95 57.07 1xy3 s SER 119 Cb 0.17 -0.87 -0.05 0.00 0.21 0.00 0.00 66.02 65.48 1xy3 s SER 119 CO -0.06 0.09 -0.10 -0.36 0.41 0.00 0.00 173.24 173.22 1xy3 s PHE 120 N 0.43 1.48 0.00 2.43 0.40 -1.26 -1.22 117.98 120.23 1xy3 s PHE 120 Ca -0.12 -0.71 0.02 0.00 -0.60 0.00 0.00 56.93 55.52 1xy3 s PHE 120 Cb -0.15 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 1xy3 s PHE 120 CO 0.04 0.17 -0.08 -1.50 0.70 0.00 0.00 175.22 174.55 1xy3 s ILE 121 N -3.20 0.62 -0.97 0.64 2.07 0.62 -4.83 121.20 116.15 1xy3 s ILE 121 Ca 0.21 -0.44 -0.20 0.00 -1.41 0.00 0.00 60.65 58.81 1xy3 s ILE 121 Cb 0.02 -0.54 0.10 0.00 0.13 0.00 0.00 42.46 42.17 1xy3 s ILE 121 CO 0.04 0.11 1.25 -0.60 -1.91 0.00 0.00 174.94 173.83 1xy3 s ARG 122 N -0.37 3.60 0.09 3.50 6.06 -1.26 -1.06 118.95 129.51 1xy3 s ARG 122 Ca 0.02 -1.51 0.23 0.00 -2.50 0.00 0.00 55.73 51.96 1xy3 s ARG 122 Cb -0.04 -5.09 0.92 0.00 0.06 0.00 0.00 34.95 30.80 1xy3 s ARG 122 CO -0.00 -1.94 1.72 -0.40 -2.50 0.00 0.00 175.30 172.17 1xy3 n ASP 123 N 7.46 0.29 -3.48 -2.12 5.75 -1.26 -4.88 116.55 118.30 1xy3 n ASP 123 Ca 0.28 0.55 -0.14 0.00 -0.01 0.00 0.00 54.79 55.46 1xy3 n ASP 123 Cb 0.50 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 39.93 1xy3 n ASP 123 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1xy3 s SER 124 N -3.55 -0.58 0.00 -1.12 0.15 -1.26 -5.00 113.70 102.34 1xy3 s SER 124 Ca 0.09 0.35 0.28 0.00 0.70 0.00 0.00 55.95 57.38 1xy3 s SER 124 Cb 0.13 0.54 1.09 0.00 -1.71 0.00 0.00 66.02 66.07 1xy3 s SER 124 CO 0.43 -0.74 1.77 1.21 1.20 0.00 0.00 173.24 177.11 1xy3 n GLU 125 N 0.29 1.03 -1.86 5.44 4.07 -1.26 -4.65 120.64 123.69 1xy3 n GLU 125 Ca -0.17 -0.49 -0.41 0.00 -0.06 0.00 0.00 57.16 56.03 1xy3 n GLU 125 Cb 0.61 -1.49 -0.01 0.00 -0.06 0.00 0.00 31.44 30.48 1xy3 n GLU 125 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1xy3 s GLU 126 N -2.31 4.16 0.15 5.31 2.12 -1.25 -4.81 118.70 122.07 1xy3 s GLU 126 Ca 0.32 2.49 0.11 0.00 0.36 0.00 0.00 54.97 58.25 1xy3 s GLU 126 Cb 0.20 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 1xy3 s GLU 126 CO 0.44 -0.52 -0.24 0.15 -0.54 0.00 0.00 175.26 174.55 1xy3 s LYS 127 N -1.15 1.40 -0.18 4.30 -0.14 0.46 -4.50 119.74 119.92 1xy3 s LYS 127 Ca 0.58 -1.40 -0.02 0.00 -1.36 0.00 0.00 55.97 53.77 1xy3 s LYS 127 Cb -0.46 -1.77 -0.01 0.00 -1.68 0.00 0.00 37.83 33.92 1xy3 s LYS 127 CO 0.53 0.40 -0.09 0.50 -0.76 0.00 0.00 175.35 175.93 1xy3 s ARG 128 N -2.34 3.35 0.44 1.68 3.52 -1.14 -1.21 118.95 123.26 1xy3 s ARG 128 Ca 0.16 -0.66 0.04 0.00 -0.13 0.00 0.00 55.73 55.13 1xy3 s ARG 128 Cb -0.09 -2.83 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 1xy3 s ARG 128 CO 0.07 -0.04 0.03 -0.80 -0.81 0.00 0.00 175.30 173.75 1xy3 s ASN 129 N 1.03 3.68 -0.22 -2.12 -0.87 0.12 0.11 114.94 116.67 1xy3 s ASN 129 Ca -0.00 -1.53 -0.19 0.00 -1.57 0.00 0.00 52.86 49.56 1xy3 s ASN 129 Cb -0.15 0.15 0.06 0.00 -0.02 0.00 0.00 41.25 41.29 1xy3 s ASN 129 CO -0.01 -0.70 0.59 0.68 -2.57 0.00 0.00 177.10 175.09 1xy3 s VAL 130 N -2.91 -0.00 -0.23 1.60 -7.23 -0.75 -2.26 120.40 108.62 1xy3 s VAL 130 Ca 0.21 0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.40 1xy3 s VAL 130 Cb 0.05 -0.83 0.05 0.00 0.56 0.00 0.00 36.38 36.22 1xy3 s VAL 130 CO 0.11 0.00 -0.09 -1.58 -0.31 0.00 0.00 175.10 173.23 1xy3 s GLN 131 N 0.49 2.01 -0.18 4.82 0.74 -0.42 -1.14 119.66 125.99 1xy3 s GLN 131 Ca -0.01 -1.07 -0.03 0.00 0.05 0.00 0.00 55.36 54.30 1xy3 s GLN 131 Cb -0.04 -2.64 -0.02 0.00 1.10 0.00 0.00 33.01 31.40 1xy3 s GLN 131 CO -0.02 -0.52 -0.06 0.08 -0.55 0.00 0.00 175.29 174.22 1xy3 s VAL 132 N 1.29 3.50 -0.27 1.34 1.01 0.59 -1.31 120.40 126.55 1xy3 s VAL 132 Ca -0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1xy3 s VAL 132 Cb -0.18 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.69 1xy3 s VAL 132 CO -0.07 0.46 -0.06 -1.81 0.00 0.00 0.00 175.10 173.63 1xy3 s ASP 133 N 0.89 4.48 -0.32 3.32 1.01 -0.23 -0.80 116.67 125.02 1xy3 s ASP 133 Ca -0.01 -1.11 -0.08 0.00 0.71 0.00 0.00 52.55 52.06 1xy3 s ASP 133 Cb -0.15 -1.65 0.02 0.00 1.01 0.00 0.00 42.92 42.16 1xy3 s ASP 133 CO 0.01 -0.18 0.12 -0.69 0.21 0.00 0.00 175.17 174.64 1xy3 s VAL 134 N 1.25 4.08 -0.15 -1.27 1.01 -0.47 -1.49 120.40 123.36 1xy3 s VAL 134 Ca -0.03 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1xy3 s VAL 134 Cb -0.18 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 1xy3 s VAL 134 CO -0.04 -0.06 -0.16 -0.69 0.00 0.00 0.00 175.10 174.15 1xy3 s VAL 135 N 1.49 2.57 -0.21 2.92 1.01 -1.08 -0.46 120.40 126.63 1xy3 s VAL 135 Ca 0.01 -0.81 -0.36 0.00 0.00 0.00 0.00 61.98 60.83 1xy3 s VAL 135 Cb -0.18 -2.07 -0.12 0.00 0.00 0.00 0.00 36.38 34.00 1xy3 s VAL 135 CO 0.04 0.52 1.96 1.21 0.00 0.00 0.00 175.10 178.82 1xy3 n GLU 136 N 4.02 1.62 -0.45 2.72 2.13 0.27 -0.40 120.64 130.57 1xy3 n GLU 136 Ca -0.19 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1xy3 n GLU 136 Cb 0.52 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.73 1xy3 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xy3 n GLY 137 N 5.03 1.36 0.02 8.31 0.00 -1.26 -4.86 105.19 113.79 1xy3 n GLY 137 Ca 0.29 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.35 1xy3 n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xy3 n LYS 138 N -2.00 4.22 0.00 1.61 5.02 0.47 -5.13 118.16 122.35 1xy3 n LYS 138 Ca 0.00 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1xy3 n LYS 138 Cb 0.00 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1xy3 n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xy3 n GLY 139 N 1.15 -1.80 3.09 0.72 0.00 -1.11 -4.92 105.19 102.32 1xy3 n GLY 139 Ca 0.02 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 1xy3 n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xy3 s ILE 140 N 0.00 1.87 -0.24 -0.61 1.01 0.10 -2.64 121.20 120.70 1xy3 s ILE 140 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 1xy3 s ILE 140 Cb 0.00 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1xy3 s ILE 140 CO 0.00 0.51 0.09 -1.81 0.00 0.00 0.00 174.94 173.73 1xy3 s ASP 141 N 1.33 5.44 -0.09 3.58 1.01 -0.55 -1.49 116.67 125.89 1xy3 s ASP 141 Ca 0.04 -0.10 0.04 0.00 0.71 0.00 0.00 52.55 53.24 1xy3 s ASP 141 Cb -0.13 -1.98 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 1xy3 s ASP 141 CO -0.11 0.01 -0.21 -0.63 0.21 0.00 0.00 175.17 174.43 1xy3 s ILE 142 N 1.37 2.37 -0.28 0.77 1.01 -1.26 -1.07 121.20 124.11 1xy3 s ILE 142 Ca 0.06 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1xy3 s ILE 142 Cb -0.15 -1.91 0.07 0.00 0.01 0.00 0.00 42.46 40.48 1xy3 s ILE 142 CO 0.05 0.56 -0.05 -0.54 0.00 0.00 0.00 174.94 174.95 1xy3 s LYS 143 N 0.08 1.92 0.31 2.79 1.02 -0.43 -1.53 119.74 123.90 1xy3 s LYS 143 Ca -0.09 -1.45 -0.06 0.00 0.02 0.00 0.00 55.97 54.39 1xy3 s LYS 143 Cb -0.15 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 1xy3 s LYS 143 CO 0.06 -0.69 0.59 -1.12 -0.92 0.00 0.00 175.35 173.27 1xy3 s SER 144 N 1.09 6.46 -0.10 2.83 0.01 -0.44 -1.30 113.70 122.25 1xy3 s SER 144 Ca -0.03 0.78 -0.30 0.00 1.31 0.00 0.00 55.95 57.71 1xy3 s SER 144 Cb -0.20 -2.17 0.12 0.00 0.21 0.00 0.00 66.02 63.98 1xy3 s SER 144 CO -0.06 -0.23 0.98 -0.94 0.41 0.00 0.00 173.24 173.40 1xy3 s SER 145 N -3.17 -0.33 0.12 2.44 1.04 -0.96 -0.02 113.70 112.82 1xy3 s SER 145 Ca 0.45 0.18 0.10 0.00 0.48 0.00 0.00 55.95 57.15 1xy3 s SER 145 Cb -0.11 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1xy3 s SER 145 CO 0.30 -0.44 -0.22 -1.48 0.98 0.00 0.00 173.24 172.38 1xy3 s LEU 146 N -1.82 2.52 0.17 2.42 0.05 -0.45 0.16 118.68 121.73 1xy3 s LEU 146 Ca 0.03 -0.63 -0.20 0.00 0.05 0.00 0.00 54.13 53.37 1xy3 s LEU 146 Cb -0.01 -1.40 0.05 0.00 -2.05 0.00 0.00 46.19 42.78 1xy3 s LEU 146 CO -0.04 0.19 0.54 -0.94 -0.55 0.00 0.00 176.35 175.55 1xy3 s SER 147 N -2.05 -0.41 0.00 1.48 1.04 -0.35 -2.00 113.70 111.42 1xy3 s SER 147 Ca 0.16 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1xy3 s SER 147 Cb -0.10 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1xy3 s SER 147 CO 0.08 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1xy3 n GLY 148 N -0.34 0.42 3.45 7.32 0.00 -1.24 -0.41 105.19 114.40 1xy3 n GLY 148 Ca -0.15 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1xy3 n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xy3 s LEU 149 N 0.00 4.67 -0.17 0.99 2.96 -1.24 -3.94 118.68 121.95 1xy3 s LEU 149 Ca 0.00 -0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 52.94 1xy3 s LEU 149 Cb 0.00 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 1xy3 s LEU 149 CO 0.00 -1.15 0.15 -0.89 -1.32 0.00 0.00 176.35 173.14 1xy3 s THR 150 N 3.33 5.43 0.08 3.68 2.01 -1.26 -0.15 115.64 128.76 1xy3 s THR 150 Ca 0.20 0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.41 1xy3 s THR 150 Cb -0.18 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1xy3 s THR 150 CO 0.12 0.49 0.03 0.68 -0.69 0.00 0.00 174.62 175.25 1xy3 s VAL 151 N -0.09 0.18 -0.23 3.82 -7.23 -0.57 -5.02 120.40 111.26 1xy3 s VAL 151 Ca 0.11 -1.75 -0.14 0.00 -1.81 0.00 0.00 61.98 58.39 1xy3 s VAL 151 Cb -0.12 -1.63 0.07 0.00 0.56 0.00 0.00 36.38 35.26 1xy3 s VAL 151 CO 0.01 -0.81 0.56 -0.22 -0.31 0.00 0.00 175.10 174.32 1xy3 s LEU 152 N -2.94 -0.48 -0.12 1.32 0.20 -1.26 -1.48 118.68 113.92 1xy3 s LEU 152 Ca 0.11 1.21 0.02 0.00 0.69 0.00 0.00 54.13 56.16 1xy3 s LEU 152 Cb 0.07 1.91 -0.00 0.00 -0.43 0.00 0.00 46.19 47.74 1xy3 s LEU 152 CO -0.07 -0.21 -0.20 -1.59 -0.29 0.00 0.00 176.35 173.98 1xy3 s LYS 153 N 1.30 3.13 0.12 1.98 -2.85 -0.59 -4.99 119.74 117.85 1xy3 s LYS 153 Ca -0.08 -0.82 0.23 0.00 -1.00 0.00 0.00 55.97 54.30 1xy3 s LYS 153 Cb -0.06 -2.43 0.89 0.00 -2.06 0.00 0.00 37.83 34.17 1xy3 s LYS 153 CO -0.13 0.13 1.70 -1.13 0.10 0.00 0.00 175.35 176.02 1xy3 n SER 154 N 3.68 0.38 -0.43 0.03 3.41 -1.26 -1.72 113.62 117.71 1xy3 n SER 154 Ca -0.19 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1xy3 n SER 154 Cb 0.53 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1xy3 n SER 154 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1xy3 n THR 155 N -1.89 0.00 -3.64 6.66 5.66 -1.26 -4.36 114.28 115.45 1xy3 n THR 155 Ca 0.04 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.82 1xy3 n THR 155 Cb 0.27 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.11 1xy3 n THR 155 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1xy3 n ASN 156 N -0.56 -2.52 -3.71 1.09 4.13 -1.26 -4.83 115.26 107.60 1xy3 n ASN 156 Ca 0.00 -0.73 -0.13 0.00 1.68 0.00 0.00 54.58 55.41 1xy3 n ASN 156 Cb 0.00 -4.45 -0.10 0.00 -1.54 0.00 0.00 39.78 33.70 1xy3 n ASN 156 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1xy3 s SER 157 N -4.10 -0.49 0.07 6.41 0.15 -1.26 -4.23 113.70 110.27 1xy3 s SER 157 Ca 0.16 0.93 -0.01 0.00 0.70 0.00 0.00 55.95 57.73 1xy3 s SER 157 Cb -0.08 0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 65.12 1xy3 s SER 157 CO 0.78 -0.16 -0.01 -1.10 1.20 0.00 0.00 173.24 173.95 1xy3 s GLN 158 N 0.37 0.70 -0.26 5.44 -0.21 -0.90 -1.13 119.66 123.67 1xy3 s GLN 158 Ca -0.01 -1.28 -0.01 0.00 0.02 0.00 0.00 55.36 54.08 1xy3 s GLN 158 Cb -0.04 0.18 0.13 0.00 1.00 0.00 0.00 33.01 34.28 1xy3 s GLN 158 CO -0.01 -0.14 0.32 0.12 -2.12 0.00 0.00 175.29 173.46 1xy3 s PHE 159 N -3.92 -0.60 0.14 0.91 5.36 -0.67 -3.96 117.98 115.23 1xy3 s PHE 159 Ca 0.11 0.23 -0.17 0.00 -0.96 0.00 0.00 56.93 56.14 1xy3 s PHE 159 Cb 0.08 -0.28 0.04 0.00 -0.34 0.00 0.00 43.02 42.52 1xy3 s PHE 159 CO -0.07 -0.82 0.44 1.67 -1.46 0.00 0.00 175.22 174.98 1xy3 s TRP 160 N 2.43 -0.21 0.00 10.12 1.48 -1.26 -1.61 118.94 129.89 1xy3 s TRP 160 Ca 0.10 -0.10 0.00 0.00 -1.06 0.00 0.00 56.10 55.04 1xy3 s TRP 160 Cb -0.14 0.31 0.00 0.00 -1.16 0.00 0.00 33.47 32.47 1xy3 s TRP 160 CO -0.24 -0.76 0.00 0.41 -4.06 0.00 0.00 176.95 172.30 1xy3 n GLY 161 N -0.26 0.62 3.90 3.67 0.00 -1.26 -5.05 105.19 106.81 1xy3 n GLY 161 Ca -0.15 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1xy3 n GLY 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xy3 s PHE 162 N -2.00 3.03 0.16 1.61 -0.71 -1.26 -4.99 117.98 113.82 1xy3 s PHE 162 Ca 0.00 0.78 -0.31 0.00 -1.04 0.00 0.00 56.93 56.35 1xy3 s PHE 162 Cb 0.00 -3.37 -0.09 0.00 -1.21 0.00 0.00 43.02 38.35 1xy3 s PHE 162 CO 0.00 -1.61 1.50 -1.17 -1.34 0.00 0.00 175.22 172.60 1xy3 s LEU 163 N -5.49 4.37 -0.18 -1.99 0.20 -1.26 -5.01 118.68 109.32 1xy3 s LEU 163 Ca 0.61 2.53 0.01 0.00 0.69 0.00 0.00 54.13 57.97 1xy3 s LEU 163 Cb -0.11 -3.59 0.02 0.00 -0.43 0.00 0.00 46.19 42.07 1xy3 s LEU 163 CO 0.49 -0.75 -0.18 -0.13 -0.29 0.00 0.00 176.35 175.48 1xy3 s ARG 164 N 0.95 3.03 0.00 1.98 0.52 -1.26 -4.95 118.95 119.21 1xy3 s ARG 164 Ca 0.67 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1xy3 s ARG 164 Cb -0.41 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.45 1xy3 s ARG 164 CO 0.32 -0.20 0.00 -0.40 0.02 0.00 0.00 175.30 175.04 1xy3 n ASP 165 N 4.61 0.04 0.00 0.23 5.75 -1.26 -5.01 116.55 120.91 1xy3 n ASP 165 Ca -0.21 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.65 1xy3 n ASP 165 Cb 0.50 0.00 0.47 0.00 -1.03 0.00 0.00 41.12 41.06 1xy3 n ASP 165 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1xy3 n GLU 166 N 0.00 0.77 -0.10 0.11 0.00 -1.26 -2.25 120.64 117.91 1xy3 n GLU 166 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 1xy3 n GLU 166 Cb 0.00 -1.32 0.09 0.00 0.00 0.00 0.00 31.44 30.22 1xy3 n GLU 166 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1xy3 n TYR 167 N -0.82 0.26 -4.21 -1.84 4.01 -1.26 -5.00 117.16 108.30 1xy3 n TYR 167 Ca 0.12 -0.37 -0.35 0.00 -0.16 0.00 0.00 57.90 57.13 1xy3 n TYR 167 Cb 0.05 -0.02 -0.09 0.00 -0.31 0.00 0.00 39.34 38.97 1xy3 n TYR 167 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1xy3 s THR 168 N -0.92 4.62 0.00 -0.72 2.01 -0.96 -4.94 115.64 114.74 1xy3 s THR 168 Ca 0.15 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1xy3 s THR 168 Cb 0.08 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.61 1xy3 s THR 168 CO 0.11 0.58 0.00 0.35 -0.69 0.00 0.00 174.62 174.98 1xy3 n THR 169 N 2.37 0.00 -1.69 -0.82 -2.24 -1.26 -4.86 114.28 105.78 1xy3 n THR 169 Ca -0.19 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.15 1xy3 n THR 169 Cb 0.54 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 1xy3 n THR 169 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1xy3 n LEU 170 N -0.49 3.44 -4.85 3.22 7.94 -1.26 -4.98 117.00 120.01 1xy3 n LEU 170 Ca 0.00 1.08 -0.34 0.00 -1.11 0.00 0.00 56.01 55.65 1xy3 n LEU 170 Cb 0.04 -1.48 -0.06 0.00 0.53 0.00 0.00 43.42 42.45 1xy3 n LEU 170 CO 0.00 -0.14 0.31 -0.54 -1.11 0.00 0.00 177.39 175.91 1xy3 s LYS 171 N 0.81 3.97 0.44 1.96 1.02 -1.26 -5.06 119.74 121.62 1xy3 s LYS 171 Ca 0.76 0.54 -0.23 0.00 0.02 0.00 0.00 55.97 57.06 1xy3 s LYS 171 Cb -0.61 -2.69 -0.09 0.00 -0.52 0.00 0.00 37.83 33.92 1xy3 s LYS 171 CO 0.38 0.32 1.06 -1.21 -0.92 0.00 0.00 175.35 174.98 1xy3 s GLU 172 N -2.52 3.98 -0.01 1.68 2.02 -1.26 -4.99 118.70 117.59 1xy3 s GLU 172 Ca 0.46 1.50 -0.08 0.00 0.02 0.00 0.00 54.97 56.88 1xy3 s GLU 172 Cb -0.13 -2.37 0.01 0.00 0.10 0.00 0.00 34.13 31.74 1xy3 s GLU 172 CO 0.20 -0.30 0.16 -0.08 0.02 0.00 0.00 175.26 175.25 1xy3 s THR 173 N -1.75 0.07 -1.13 3.63 -1.32 -0.63 -5.01 115.64 109.49 1xy3 s THR 173 Ca 0.62 -0.55 0.11 0.00 -1.21 0.00 0.00 61.69 60.67 1xy3 s THR 173 Cb -0.21 -0.41 0.26 0.00 -1.51 0.00 0.00 72.50 70.62 1xy3 s THR 173 CO 0.26 -0.30 1.15 0.79 -2.21 0.00 0.00 174.62 174.31 1xy3 n TRP 174 N 1.72 0.34 -3.66 9.09 8.01 -1.26 -1.68 117.44 130.01 1xy3 n TRP 174 Ca -0.21 -0.35 -0.07 0.00 -1.31 0.00 0.00 57.50 55.57 1xy3 n TRP 174 Cb 0.56 -0.02 -0.08 0.00 -2.01 0.00 0.00 31.31 29.76 1xy3 n TRP 174 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1xy3 s ASP 175 N -1.00 -0.64 0.22 -0.99 2.15 -1.23 -4.61 116.67 110.57 1xy3 s ASP 175 Ca 0.21 1.21 -0.22 0.00 0.43 0.00 0.00 52.55 54.18 1xy3 s ASP 175 Cb 0.12 1.52 0.04 0.00 -0.30 0.00 0.00 42.92 44.30 1xy3 s ASP 175 CO 0.16 -0.22 0.69 0.00 -0.17 0.00 0.00 175.17 175.63 1xy3 s ARG 176 N 2.35 1.54 0.36 4.34 1.70 -0.28 -4.97 118.95 123.98 1xy3 s ARG 176 Ca -0.05 -0.75 -0.23 0.00 -0.47 0.00 0.00 55.73 54.22 1xy3 s ARG 176 Cb -0.10 0.59 -0.10 0.00 -0.57 0.00 0.00 34.95 34.76 1xy3 s ARG 176 CO -0.15 -0.69 0.92 0.42 -1.08 0.00 0.00 175.30 174.72 1xy3 s ILE 177 N -3.80 4.32 -0.21 4.99 1.01 -1.26 -4.02 121.20 122.23 1xy3 s ILE 177 Ca 0.07 1.63 -0.03 0.00 0.00 0.00 0.00 60.65 62.32 1xy3 s ILE 177 Cb -0.04 -3.83 0.07 0.00 0.01 0.00 0.00 42.46 38.67 1xy3 s ILE 177 CO -0.01 -0.04 0.07 -0.22 0.00 0.00 0.00 174.94 174.73 1xy3 s LEU 178 N -2.51 0.94 0.13 2.97 2.96 -0.70 -4.92 118.68 117.55 1xy3 s LEU 178 Ca 0.54 -0.91 0.10 0.00 -0.22 0.00 0.00 54.13 53.64 1xy3 s LEU 178 Cb -0.14 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 46.03 1xy3 s LEU 178 CO 0.19 -0.35 -0.23 -0.55 -1.32 0.00 0.00 176.35 174.09 1xy3 s SER 179 N 1.95 2.99 0.00 3.68 0.15 -1.26 -1.54 113.70 119.67 1xy3 s SER 179 Ca 0.02 -0.76 -0.29 0.00 0.70 0.00 0.00 55.95 55.63 1xy3 s SER 179 Cb -0.17 -0.19 0.10 0.00 -1.71 0.00 0.00 66.02 64.06 1xy3 s SER 179 CO -0.14 0.10 0.96 0.28 1.20 0.00 0.00 173.24 175.64 1xy3 s THR 180 N -1.30 0.00 -0.01 6.45 -1.32 -0.55 -1.80 115.64 117.11 1xy3 s THR 180 Ca 0.12 -0.13 -0.03 0.00 -1.21 0.00 0.00 61.69 60.44 1xy3 s THR 180 Cb -0.09 -1.23 -0.04 0.00 -1.51 0.00 0.00 72.50 69.63 1xy3 s THR 180 CO 0.06 0.00 0.17 -1.81 -2.21 0.00 0.00 174.62 170.83 1xy3 s ASP 181 N -2.55 6.32 -0.15 8.08 1.01 -0.94 -1.52 116.67 126.92 1xy3 s ASP 181 Ca 0.07 0.34 0.01 0.00 0.71 0.00 0.00 52.55 53.68 1xy3 s ASP 181 Cb -0.01 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.95 1xy3 s ASP 181 CO -0.06 0.27 -0.17 -0.69 0.21 0.00 0.00 175.17 174.73 1xy3 s VAL 182 N -1.31 2.52 -0.27 -1.27 1.01 0.79 -3.25 120.40 118.64 1xy3 s VAL 182 Ca 0.27 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1xy3 s VAL 182 Cb -0.13 -2.05 0.07 0.00 0.00 0.00 0.00 36.38 34.28 1xy3 s VAL 182 CO 0.18 0.53 -0.04 -0.62 0.00 0.00 0.00 175.10 175.15 1xy3 s ASP 183 N 0.76 4.27 -0.07 3.32 -1.08 -0.97 -3.66 116.67 119.24 1xy3 s ASP 183 Ca -0.07 -1.51 0.05 0.00 -0.52 0.00 0.00 52.55 50.51 1xy3 s ASP 183 Cb -0.16 -1.38 -0.01 0.00 -1.46 0.00 0.00 42.92 39.92 1xy3 s ASP 183 CO 0.00 -0.27 -0.24 0.00 0.52 0.00 0.00 175.17 175.18 1xy3 s ALA 184 N 1.20 2.14 -0.04 3.66 0.00 -0.85 -0.64 121.76 127.24 1xy3 s ALA 184 Ca -0.02 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1xy3 s ALA 184 Cb -0.19 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1xy3 s ALA 184 CO -0.08 0.37 -0.08 0.99 0.00 0.00 0.00 175.76 176.96 1xy3 s THR 185 N 0.00 0.79 -0.14 0.00 2.01 0.57 -1.34 115.64 117.54 1xy3 s THR 185 Ca -0.08 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.63 1xy3 s THR 185 Cb -0.15 -0.74 0.01 0.00 0.01 0.00 0.00 72.50 71.63 1xy3 s THR 185 CO 0.05 0.27 -0.22 -1.66 -0.69 0.00 0.00 174.62 172.37 1xy3 s TRP 186 N 0.54 2.65 -0.16 4.92 -2.14 0.97 0.23 118.94 125.96 1xy3 s TRP 186 Ca -0.09 -1.35 -0.19 0.00 2.66 0.00 0.00 56.10 57.14 1xy3 s TRP 186 Cb -0.12 -1.81 -0.04 0.00 -3.10 0.00 0.00 33.47 28.40 1xy3 s TRP 186 CO 0.01 -0.62 0.51 -1.14 -2.66 0.00 0.00 176.95 173.06 1xy3 s GLN 187 N 0.84 4.26 0.44 3.25 0.74 -0.05 -1.33 119.66 127.81 1xy3 s GLN 187 Ca -0.07 0.45 -0.08 0.00 0.05 0.00 0.00 55.36 55.71 1xy3 s GLN 187 Cb -0.15 -3.50 -0.05 0.00 1.10 0.00 0.00 33.01 30.40 1xy3 s GLN 187 CO -0.02 -0.01 0.78 -1.58 -0.55 0.00 0.00 175.29 173.91 1xy3 s TRP 188 N 1.18 3.52 0.33 1.67 0.52 -0.58 0.24 118.94 125.81 1xy3 s TRP 188 Ca 0.25 0.95 -0.29 0.00 0.02 0.00 0.00 56.10 57.04 1xy3 s TRP 188 Cb -0.15 -2.39 -0.11 0.00 -1.15 0.00 0.00 33.47 29.67 1xy3 s TRP 188 CO 0.10 -0.19 1.46 0.21 0.02 0.00 0.00 176.95 178.55 1xy3 s LYS 189 N -4.26 4.19 -0.12 4.98 2.20 0.07 -4.58 119.74 122.23 1xy3 s LYS 189 Ca 0.50 2.45 -0.34 0.00 -0.36 0.00 0.00 55.97 58.21 1xy3 s LYS 189 Cb -0.10 -3.03 -0.12 0.00 -1.51 0.00 0.00 37.83 33.07 1xy3 s LYS 189 CO 0.38 -0.46 1.90 -1.71 -0.36 0.00 0.00 175.35 175.10 1xy3 n ASN 190 N 1.22 3.33 -4.77 1.43 2.85 -1.26 -4.84 115.26 113.22 1xy3 n ASN 190 Ca 0.03 0.93 -0.39 0.00 -0.11 0.00 0.00 54.58 55.05 1xy3 n ASN 190 Cb 0.40 -1.36 -0.06 0.00 1.24 0.00 0.00 39.78 40.00 1xy3 n ASN 190 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1xy3 s PHE 191 N 4.33 3.74 0.28 1.20 0.08 -0.55 -4.91 117.98 122.14 1xy3 s PHE 191 Ca 0.94 1.33 -0.03 0.00 0.12 0.00 0.00 56.93 59.29 1xy3 s PHE 191 Cb -0.71 -2.66 0.38 0.00 -0.57 0.00 0.00 43.02 39.45 1xy3 s PHE 191 CO 0.52 0.38 1.93 0.66 -0.10 0.00 0.00 175.22 178.61 1xy3 h SER 192 N 5.36 0.98 -5.76 1.36 4.64 -1.92 0.29 113.55 118.50 1xy3 h SER 192 Ca -0.46 -0.05 0.31 0.00 -0.47 0.00 0.00 61.79 61.12 1xy3 h SER 192 Cb 1.20 -0.25 -0.07 0.00 -0.31 0.00 0.00 62.40 62.98 1xy3 h SER 192 CO 0.69 0.75 0.84 -0.83 -0.87 0.00 0.00 176.83 177.41 1xy3 s GLY 193 N -3.30 -0.11 0.55 -0.77 0.00 -1.26 -4.43 107.32 98.00 1xy3 s GLY 193 Ca -0.12 0.02 0.31 0.00 0.00 0.00 0.00 44.72 44.93 1xy3 s GLY 193 CO 0.80 4.65 1.88 -2.00 0.00 0.00 0.00 173.10 178.44 1xy3 h LEU 194 N 2.00 0.00 -0.17 0.66 6.46 -1.94 -1.38 115.31 120.95 1xy3 h LEU 194 Ca -0.24 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.40 1xy3 h LEU 194 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1xy3 h LEU 194 CO 0.32 0.00 -0.38 -0.61 -0.62 0.00 0.00 178.44 177.15 1xy3 h GLN 195 N 0.00 0.55 -0.28 1.25 4.15 -1.99 -2.18 115.11 116.61 1xy3 h GLN 195 Ca 0.38 -0.37 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 1xy3 h GLN 195 Cb 1.61 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.33 1xy3 h GLN 195 CO -0.00 0.98 -0.07 1.49 -1.93 0.00 0.00 178.83 179.30 1xy3 h GLU 196 N 0.20 0.44 0.06 1.69 4.81 -1.66 -2.27 114.58 117.85 1xy3 h GLU 196 Ca 0.00 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1xy3 h GLU 196 Cb 0.98 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1xy3 h GLU 196 CO 0.08 0.53 -0.03 0.28 -0.73 0.00 0.00 179.01 179.14 1xy3 h VAL 197 N 0.42 1.12 -0.88 0.32 2.07 -1.43 -2.92 116.25 114.95 1xy3 h VAL 197 Ca 0.09 -0.59 0.18 0.00 0.82 0.00 0.00 66.70 67.19 1xy3 h VAL 197 Cb 0.39 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 1xy3 h VAL 197 CO 0.02 0.15 0.57 0.03 0.02 0.00 0.00 177.57 178.36 1xy3 h ARG 198 N -0.35 0.49 0.00 1.57 3.08 -1.08 0.93 114.38 119.02 1xy3 h ARG 198 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1xy3 h ARG 198 Cb 0.31 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1xy3 h ARG 198 CO 0.01 0.32 0.00 -1.13 -1.07 0.00 0.00 179.97 178.11 1xy3 n SER 199 N -4.53 0.00 0.00 7.04 3.41 -0.88 -3.24 113.62 115.41 1xy3 n SER 199 Ca 0.18 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1xy3 n SER 199 Cb 0.60 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1xy3 n SER 199 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xy3 n HIS 200 N -1.26 0.00 -0.32 7.33 8.25 0.29 -4.85 115.22 124.66 1xy3 n HIS 200 Ca 0.12 -0.24 0.22 0.00 -0.26 0.00 0.00 57.72 57.55 1xy3 n HIS 200 Cb 0.17 -0.02 0.43 0.00 1.12 0.00 0.00 29.99 31.69 1xy3 n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1xy3 h VAL 201 N 0.19 0.18 0.00 1.59 2.07 -1.46 0.59 116.25 119.42 1xy3 h VAL 201 Ca 0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1xy3 h VAL 201 Cb 0.31 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1xy3 h VAL 201 CO 0.00 0.03 -0.06 -0.65 0.02 0.00 0.00 177.57 176.91 1xy3 h PRO 202 N 0.16 0.00 0.00 1.57 0.11 -1.88 -2.69 132.00 129.26 1xy3 h PRO 202 Ca 0.70 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.81 1xy3 h PRO 202 Cb 1.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.72 1xy3 h PRO 202 CO -0.71 0.06 0.00 0.87 -0.21 0.00 0.00 178.00 178.01 1xy3 h LYS 203 N 0.00 0.00 0.14 1.05 1.57 -1.26 -3.27 116.57 114.80 1xy3 h LYS 203 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xy3 h LYS 203 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1xy3 h LYS 203 CO 0.01 0.00 -0.07 0.74 -0.57 0.00 0.00 179.45 179.56 1xy3 h PHE 204 N 0.00 -0.18 -0.10 -1.35 0.04 -1.57 -2.27 116.94 111.51 1xy3 h PHE 204 Ca 0.00 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1xy3 h PHE 204 Cb 0.73 0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1xy3 h PHE 204 CO 0.00 0.28 -0.38 -0.44 -0.60 0.00 0.00 178.31 177.17 1xy3 h ASP 205 N -0.85 0.22 -0.22 2.17 3.32 -1.73 -2.21 116.42 117.12 1xy3 h ASP 205 Ca -0.02 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 1xy3 h ASP 205 Cb 0.54 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1xy3 h ASP 205 CO 0.03 0.59 -0.05 0.00 -1.72 0.00 0.00 179.24 178.09 1xy3 h ALA 206 N 1.42 0.30 -0.42 3.45 0.00 -1.65 -2.49 119.26 119.87 1xy3 h ALA 206 Ca 0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1xy3 h ALA 206 Cb 0.76 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1xy3 h ALA 206 CO 0.06 0.09 -0.15 1.15 0.00 0.00 0.00 179.25 180.40 1xy3 h THR 207 N 0.16 1.26 -0.34 0.00 2.02 -1.31 -1.62 112.91 113.08 1xy3 h THR 207 Ca 0.06 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 1xy3 h THR 207 Cb 0.51 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1xy3 h THR 207 CO 0.02 0.42 0.21 -0.25 0.37 0.00 0.00 175.52 176.29 1xy3 h TRP 208 N 0.70 0.45 -0.41 3.16 7.01 -1.38 -0.11 115.95 125.37 1xy3 h TRP 208 Ca 0.11 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.14 1xy3 h TRP 208 Cb 0.65 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.53 1xy3 h TRP 208 CO 0.03 0.31 0.22 0.00 -2.79 0.00 0.00 178.44 176.22 1xy3 h ALA 209 N 1.10 0.51 -0.30 2.65 0.00 -1.18 -1.57 119.26 120.46 1xy3 h ALA 209 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xy3 h ALA 209 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xy3 h ALA 209 CO -0.02 -0.12 0.20 1.15 0.00 0.00 0.00 179.25 180.45 1xy3 h THR 210 N 0.45 1.08 -0.91 0.00 2.02 -0.91 0.27 112.91 114.92 1xy3 h THR 210 Ca 0.17 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1xy3 h THR 210 Cb 0.04 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1xy3 h THR 210 CO -0.10 0.08 0.59 0.00 0.37 0.00 0.00 175.52 176.46 1xy3 h ALA 211 N 1.10 1.33 -0.16 6.16 0.00 -0.73 0.19 119.26 127.15 1xy3 h ALA 211 Ca 0.11 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1xy3 h ALA 211 Cb -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.39 1xy3 h ALA 211 CO -0.02 0.61 -0.69 -0.09 0.00 0.00 0.00 179.25 179.06 1xy3 h ARG 212 N 1.24 0.66 -0.22 0.00 2.43 -0.93 -2.09 114.38 115.47 1xy3 h ARG 212 Ca 0.33 -0.50 -0.18 0.00 -0.81 0.00 0.00 59.98 58.83 1xy3 h ARG 212 Cb -0.12 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1xy3 h ARG 212 CO -0.07 1.12 -0.59 1.49 -1.51 0.00 0.00 179.97 180.41 1xy3 h GLU 213 N 0.47 0.71 -0.17 0.20 4.81 -0.51 -2.56 114.58 117.53 1xy3 h GLU 213 Ca -0.03 -0.47 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 1xy3 h GLU 213 Cb 1.29 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1xy3 h GLU 213 CO 0.13 1.09 0.00 0.28 -0.73 0.00 0.00 179.01 179.79 1xy3 h VAL 214 N 0.54 1.25 0.04 0.32 2.07 -0.65 -1.75 116.25 118.07 1xy3 h VAL 214 Ca 0.00 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.72 1xy3 h VAL 214 Cb 1.17 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 1xy3 h VAL 214 CO 0.12 0.25 -0.26 0.74 0.02 0.00 0.00 177.57 178.43 1xy3 h THR 215 N 0.05 0.41 0.05 2.57 2.02 -1.38 -0.36 112.91 116.27 1xy3 h THR 215 Ca 0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 1xy3 h THR 215 Cb 0.37 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1xy3 h THR 215 CO 0.01 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.80 1xy3 h LEU 216 N -0.43 -0.06 -0.28 2.58 4.07 -1.47 -1.97 115.31 117.76 1xy3 h LEU 216 Ca 0.05 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1xy3 h LEU 216 Cb 0.49 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1xy3 h LEU 216 CO -0.20 0.07 0.18 0.50 -1.08 0.00 0.00 178.44 177.90 1xy3 h LYS 217 N -0.18 0.37 -0.59 1.13 3.64 -1.20 -1.64 116.57 118.10 1xy3 h LYS 217 Ca -0.01 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1xy3 h LYS 217 Cb 0.16 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1xy3 h LYS 217 CO 0.01 0.27 0.20 1.15 -2.27 0.00 0.00 179.45 178.81 1xy3 h THR 218 N 0.36 1.24 -0.19 1.00 2.02 -1.08 -1.05 112.91 115.20 1xy3 h THR 218 Ca 0.10 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.52 1xy3 h THR 218 Cb -0.01 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1xy3 h THR 218 CO -0.02 0.30 0.06 0.15 0.37 0.00 0.00 175.52 176.38 1xy3 h PHE 219 N 0.82 0.11 -0.45 3.16 3.57 -1.15 0.71 116.94 123.71 1xy3 h PHE 219 Ca 0.19 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 1xy3 h PHE 219 Cb 0.26 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1xy3 h PHE 219 CO 0.02 0.05 -0.16 0.00 -2.23 0.00 0.00 178.31 175.99 1xy3 h ALA 220 N 1.12 0.87 0.00 2.41 0.00 -1.16 -3.32 119.26 119.19 1xy3 h ALA 220 Ca 0.08 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 1xy3 h ALA 220 Cb 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1xy3 h ALA 220 CO -0.09 0.64 -1.42 0.93 0.00 0.00 0.00 179.25 179.30 1xy3 h GLU 221 N 0.76 0.00 -6.23 0.00 5.08 -1.02 -3.46 114.58 109.70 1xy3 h GLU 221 Ca 0.12 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.92 1xy3 h GLU 221 Cb 0.68 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1xy3 h GLU 221 CO 0.05 0.47 1.04 0.34 -1.00 0.00 0.00 179.01 179.91 1xy3 s ASP 222 N -6.07 6.69 -0.93 1.42 2.15 0.23 -4.95 116.67 115.21 1xy3 s ASP 222 Ca -0.03 1.95 -0.03 0.00 0.43 0.00 0.00 52.55 54.87 1xy3 s ASP 222 Cb 0.08 -2.53 0.23 0.00 -0.30 0.00 0.00 42.92 40.40 1xy3 s ASP 222 CO 0.81 -0.95 0.84 0.21 -0.17 0.00 0.00 175.17 175.91 1xy3 s ASN 223 N 3.14 6.23 0.39 -0.34 2.47 -1.26 -4.87 114.94 120.70 1xy3 s ASN 223 Ca 0.68 -3.68 0.04 0.00 0.42 0.00 0.00 52.86 50.31 1xy3 s ASN 223 Cb -0.28 -1.96 -0.04 0.00 -1.45 0.00 0.00 41.25 37.52 1xy3 s ASN 223 CO 0.25 -0.21 0.08 -0.94 -3.72 0.00 0.00 177.10 172.57 1xy3 s SER 224 N 0.15 2.86 -0.21 -4.21 1.04 -1.26 -4.97 113.70 107.10 1xy3 s SER 224 Ca 0.28 -1.56 0.14 0.00 0.48 0.00 0.00 55.95 55.29 1xy3 s SER 224 Cb -0.08 0.27 0.50 0.00 0.10 0.00 0.00 66.02 66.81 1xy3 s SER 224 CO -0.12 -0.79 1.41 0.00 0.98 0.00 0.00 173.24 174.72 1xy3 n ALA 225 N -0.88 3.37 -3.44 5.32 0.00 -1.25 -2.13 120.51 121.49 1xy3 n ALA 225 Ca -0.06 -2.64 -0.16 0.00 0.00 0.00 0.00 53.44 50.58 1xy3 n ALA 225 Cb 0.66 -0.69 -0.11 0.00 0.00 0.00 0.00 19.45 19.31 1xy3 n ALA 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xy3 s SER 226 N -2.25 1.08 0.30 0.00 0.15 -1.26 -4.61 113.70 107.12 1xy3 s SER 226 Ca 0.42 -0.14 0.04 0.00 0.70 0.00 0.00 55.95 56.96 1xy3 s SER 226 Cb 0.36 0.60 0.49 0.00 -1.71 0.00 0.00 66.02 65.76 1xy3 s SER 226 CO 0.05 -0.32 1.77 0.58 1.20 0.00 0.00 173.24 176.52 1xy3 h VAL 227 N 6.27 1.24 -0.77 4.45 2.07 -1.92 -1.93 116.25 125.66 1xy3 h VAL 227 Ca -0.17 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 1xy3 h VAL 227 Cb 1.15 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1xy3 h VAL 227 CO 0.28 0.36 0.27 1.56 0.02 0.00 0.00 177.57 180.06 1xy3 h GLN 228 N 0.42 1.18 -0.33 1.57 7.50 -1.99 -0.61 115.11 122.85 1xy3 h GLN 228 Ca 0.07 -0.24 -0.11 0.00 0.50 0.00 0.00 58.65 58.88 1xy3 h GLN 228 Cb 0.57 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 1xy3 h GLN 228 CO 0.04 0.98 -0.23 0.00 -1.50 0.00 0.00 178.83 178.11 1xy3 h ALA 229 N 1.15 0.98 0.03 3.87 0.00 -1.87 -1.94 119.26 121.49 1xy3 h ALA 229 Ca 0.25 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xy3 h ALA 229 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xy3 h ALA 229 CO -0.01 0.60 -0.02 1.15 0.00 0.00 0.00 179.25 180.97 1xy3 h THR 230 N 0.56 1.15 0.00 0.00 2.02 -0.78 -2.34 112.91 113.53 1xy3 h THR 230 Ca 0.08 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 1xy3 h THR 230 Cb 0.70 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1xy3 h THR 230 CO 0.05 0.15 -0.19 0.00 0.37 0.00 0.00 175.52 175.90 1xy3 h MET 231 N -0.29 0.00 -0.18 6.66 -0.00 -1.09 -2.30 114.93 117.73 1xy3 h MET 231 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 1xy3 h MET 231 Cb 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.87 1xy3 h MET 231 CO 0.01 0.19 -0.12 -0.92 -0.00 0.00 0.00 176.91 176.07 1xy3 h TYR 232 N 0.00 0.47 -0.48 -0.10 3.20 -1.21 -1.95 116.97 116.90 1xy3 h TYR 232 Ca -0.00 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.76 1xy3 h TYR 232 Cb 0.44 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1xy3 h TYR 232 CO 0.00 0.73 0.32 0.87 -1.64 0.00 0.00 178.16 178.43 1xy3 h LYS 233 N 0.07 0.56 0.23 1.82 1.57 -1.06 -0.64 116.57 119.13 1xy3 h LYS 233 Ca 0.04 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xy3 h LYS 233 Cb 0.62 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1xy3 h LYS 233 CO 0.03 0.37 -0.11 0.52 -0.57 0.00 0.00 179.45 179.69 1xy3 h MET 234 N 0.58 -0.30 -0.83 3.15 2.86 -1.20 -2.75 114.93 116.44 1xy3 h MET 234 Ca 0.19 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.88 1xy3 h MET 234 Cb 0.03 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1xy3 h MET 234 CO -0.04 -0.05 0.53 0.00 1.06 0.00 0.00 176.91 178.40 1xy3 h ALA 235 N 0.17 1.10 0.24 6.32 0.00 -0.82 -2.63 119.26 123.64 1xy3 h ALA 235 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xy3 h ALA 235 Cb 0.40 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1xy3 h ALA 235 CO 0.05 0.33 -0.43 0.93 0.00 0.00 0.00 179.25 180.13 1xy3 h GLU 236 N 1.01 -0.69 -0.64 0.00 5.08 -1.09 -1.23 114.58 117.02 1xy3 h GLU 236 Ca 0.34 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.87 1xy3 h GLU 236 Cb 0.05 0.16 -0.12 0.00 0.50 0.00 0.00 28.75 29.33 1xy3 h GLU 236 CO -0.13 -0.46 -0.14 1.96 -1.00 0.00 0.00 179.01 179.24 1xy3 h GLN 237 N -0.72 0.01 -0.08 2.33 4.20 -1.33 -1.42 115.11 118.10 1xy3 h GLN 237 Ca -0.03 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1xy3 h GLN 237 Cb 0.67 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1xy3 h GLN 237 CO -0.16 0.01 -0.05 0.82 -0.67 0.00 0.00 178.83 178.78 1xy3 h ILE 238 N 0.01 0.84 -0.99 2.54 2.04 -1.17 -1.77 117.51 119.01 1xy3 h ILE 238 Ca 0.31 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.20 1xy3 h ILE 238 Cb 0.48 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 1xy3 h ILE 238 CO -0.65 0.00 0.65 -0.07 0.00 0.00 0.00 178.15 178.08 1xy3 h LEU 239 N -0.06 1.09 -1.20 1.44 3.38 -0.43 -1.84 115.31 117.69 1xy3 h LEU 239 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1xy3 h LEU 239 Cb 0.13 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1xy3 h LEU 239 CO -0.12 0.75 -0.12 0.00 0.09 0.00 0.00 178.44 179.05 1xy3 h ALA 240 N 1.42 1.01 0.00 1.53 0.00 -0.94 -3.14 119.26 119.14 1xy3 h ALA 240 Ca 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xy3 h ALA 240 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xy3 h ALA 240 CO -0.12 0.15 -0.79 0.54 0.00 0.00 0.00 179.25 179.03 1xy3 n ARG 241 N -3.25 0.14 -3.58 0.00 1.74 -0.69 -4.77 116.66 106.25 1xy3 n ARG 241 Ca 0.01 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 56.84 1xy3 n ARG 241 Cb 0.38 -1.55 -0.16 0.00 -1.02 0.00 0.00 32.46 30.11 1xy3 n ARG 241 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1xy3 s GLN 242 N -3.09 0.11 0.45 5.56 2.00 -0.97 -5.02 119.66 118.70 1xy3 s GLN 242 Ca 0.07 -0.13 0.24 0.00 -2.00 0.00 0.00 55.36 53.54 1xy3 s GLN 242 Cb 0.16 -1.59 1.03 0.00 0.80 0.00 0.00 33.01 33.41 1xy3 s GLN 242 CO 0.77 -0.75 1.88 0.37 -0.50 0.00 0.00 175.29 177.06 1xy3 h GLN 243 N 8.40 0.00 0.00 1.67 5.75 -1.86 -3.03 115.11 126.04 1xy3 h GLN 243 Ca -0.16 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1xy3 h GLN 243 Cb 1.12 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.67 1xy3 h GLN 243 CO 0.32 0.22 -0.11 -0.07 -2.65 0.00 0.00 178.83 176.53 1xy3 h LEU 244 N 0.00 0.00 -9.75 -2.39 -0.00 -1.95 -3.45 115.31 97.77 1xy3 h LEU 244 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.36 1xy3 h LEU 244 Cb 0.66 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.35 1xy3 h LEU 244 CO 0.03 0.11 0.58 -0.63 -0.00 0.00 0.00 178.44 178.53 1xy3 s ILE 245 N -3.44 3.27 -0.25 1.22 -1.09 -1.15 -0.75 121.20 119.01 1xy3 s ILE 245 Ca 0.03 1.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.60 1xy3 s ILE 245 Cb 0.08 -3.73 -0.16 0.00 -1.58 0.00 0.00 42.46 37.07 1xy3 s ILE 245 CO 0.63 0.22 -0.23 -0.62 -1.23 0.00 0.00 174.94 173.71 1xy3 n GLU 246 N 1.86 0.61 -3.83 2.79 1.02 0.14 -4.86 120.64 118.37 1xy3 n GLU 246 Ca 0.03 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.20 1xy3 n GLU 246 Cb 0.44 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.26 1xy3 n GLU 246 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xy3 s THR 247 N -2.49 0.05 -0.11 2.62 -4.23 -1.22 -3.98 115.64 106.28 1xy3 s THR 247 Ca -0.33 -0.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 1xy3 s THR 247 Cb 0.09 -0.39 -0.01 0.00 1.34 0.00 0.00 72.50 73.53 1xy3 s THR 247 CO 0.56 -0.21 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.59 1xy3 s VAL 248 N -0.75 2.88 -0.10 2.29 1.01 -0.49 -0.87 120.40 124.37 1xy3 s VAL 248 Ca -0.08 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1xy3 s VAL 248 Cb -0.05 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1xy3 s VAL 248 CO 0.01 0.54 -0.19 -0.70 0.00 0.00 0.00 175.10 174.77 1xy3 s GLU 249 N 0.16 2.53 0.04 2.72 2.12 0.14 -0.57 118.70 125.84 1xy3 s GLU 249 Ca -0.08 -0.69 0.08 0.00 0.36 0.00 0.00 54.97 54.64 1xy3 s GLU 249 Cb -0.15 -2.01 -0.03 0.00 0.26 0.00 0.00 34.13 32.20 1xy3 s GLU 249 CO 0.05 0.06 -0.23 0.71 -0.54 0.00 0.00 175.26 175.31 1xy3 s TYR 250 N 0.64 2.43 -0.24 5.30 2.02 0.21 -0.31 117.35 127.40 1xy3 s TYR 250 Ca -0.13 -0.34 -0.04 0.00 -0.37 0.00 0.00 57.07 56.19 1xy3 s TYR 250 Cb -0.16 -1.43 0.09 0.00 -0.40 0.00 0.00 41.96 40.06 1xy3 s TYR 250 CO 0.04 0.18 0.14 0.45 -1.57 0.00 0.00 175.55 174.78 1xy3 s SER 251 N -1.29 2.86 -0.37 2.29 0.15 0.19 -1.24 113.70 116.28 1xy3 s SER 251 Ca 0.13 -0.95 -0.09 0.00 0.70 0.00 0.00 55.95 55.73 1xy3 s SER 251 Cb -0.10 -0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.05 1xy3 s SER 251 CO 0.03 -0.40 0.19 -0.76 1.20 0.00 0.00 173.24 173.50 1xy3 s LEU 252 N 2.15 4.69 -0.59 3.45 1.43 -0.31 -2.28 118.68 127.22 1xy3 s LEU 252 Ca 0.07 -1.15 -0.20 0.00 -1.03 0.00 0.00 54.13 51.81 1xy3 s LEU 252 Cb -0.16 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.17 1xy3 s LEU 252 CO -0.26 -0.40 0.79 -2.84 0.23 0.00 0.00 176.35 173.87 1xy3 s PRO 253 N 1.48 3.10 0.73 1.29 0.02 -1.20 -1.90 135.00 138.52 1xy3 s PRO 253 Ca 0.01 -1.00 -0.15 0.00 0.02 0.00 0.00 61.00 59.88 1xy3 s PRO 253 Cb -0.20 -4.21 0.04 0.00 0.02 0.00 0.00 34.50 30.15 1xy3 s PRO 253 CO 0.05 -1.56 1.20 -0.80 -0.33 0.00 0.00 177.00 175.56 1xy3 s ASN 254 N 3.41 4.17 -0.09 2.53 -0.87 0.13 -2.23 114.94 121.99 1xy3 s ASN 254 Ca 0.17 2.35 0.02 0.00 -1.57 0.00 0.00 52.86 53.83 1xy3 s ASN 254 Cb -0.20 -2.59 0.01 0.00 -0.02 0.00 0.00 41.25 38.45 1xy3 s ASN 254 CO 0.10 -2.28 -0.17 -0.54 -2.57 0.00 0.00 177.10 171.64 1xy3 s LYS 255 N -3.93 2.30 -0.06 -0.60 1.02 -0.74 -4.23 119.74 113.49 1xy3 s LYS 255 Ca 0.74 -0.61 -0.04 0.00 0.02 0.00 0.00 55.97 56.08 1xy3 s LYS 255 Cb -0.29 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 1xy3 s LYS 255 CO 0.46 0.03 0.15 -1.01 -0.92 0.00 0.00 175.35 174.05 1xy3 s HIS 256 N 0.72 3.53 -0.19 3.18 3.76 -1.26 -3.98 115.29 121.05 1xy3 s HIS 256 Ca -0.12 0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 1xy3 s HIS 256 Cb -0.16 -1.87 0.04 0.00 1.11 0.00 0.00 32.58 31.70 1xy3 s HIS 256 CO 0.03 0.67 -0.10 0.71 -0.85 0.00 0.00 174.74 175.20 1xy3 s TYR 257 N -1.16 2.34 0.12 1.40 1.51 -1.26 -0.25 117.35 120.06 1xy3 s TYR 257 Ca 0.21 -1.52 -0.12 0.00 -1.01 0.00 0.00 57.07 54.62 1xy3 s TYR 257 Cb -0.12 -1.61 -0.06 0.00 -0.11 0.00 0.00 41.96 40.05 1xy3 s TYR 257 CO 0.11 -0.73 0.49 -0.06 -1.11 0.00 0.00 175.55 174.25 1xy3 s PHE 258 N 1.42 3.59 0.46 2.71 0.08 -0.04 -4.84 117.98 121.36 1xy3 s PHE 258 Ca -0.01 0.94 -0.22 0.00 0.12 0.00 0.00 56.93 57.77 1xy3 s PHE 258 Cb -0.16 -2.28 -0.08 0.00 -0.57 0.00 0.00 43.02 39.93 1xy3 s PHE 258 CO -0.08 0.45 1.06 -1.21 -0.10 0.00 0.00 175.22 175.34 1xy3 s GLU 259 N -1.99 3.88 -0.28 0.44 2.02 -1.26 -0.54 118.70 120.96 1xy3 s GLU 259 Ca 0.36 1.47 0.01 0.00 0.02 0.00 0.00 54.97 56.84 1xy3 s GLU 259 Cb -0.14 -2.26 0.06 0.00 0.10 0.00 0.00 34.13 31.88 1xy3 s GLU 259 CO 0.19 -0.38 -0.05 0.42 0.02 0.00 0.00 175.26 175.45 1xy3 s ILE 260 N -1.81 2.56 -0.44 -1.63 1.01 -1.26 -4.83 121.20 114.81 1xy3 s ILE 260 Ca 0.64 -1.56 -0.29 0.00 0.00 0.00 0.00 60.65 59.44 1xy3 s ILE 260 Cb -0.20 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.79 1xy3 s ILE 260 CO 0.24 -0.10 1.11 -0.62 0.00 0.00 0.00 174.94 175.58 1xy3 s ASP 261 N 1.18 6.70 -0.15 3.58 2.15 -1.26 -4.65 116.67 124.22 1xy3 s ASP 261 Ca -0.06 0.60 0.16 0.00 0.43 0.00 0.00 52.55 53.68 1xy3 s ASP 261 Cb -0.20 -2.54 0.47 0.00 -0.30 0.00 0.00 42.92 40.35 1xy3 s ASP 261 CO -0.03 -1.15 1.37 0.18 -0.17 0.00 0.00 175.17 175.37 1xy3 n LEU 262 N 7.57 3.62 0.24 -1.34 4.77 -1.26 -4.67 117.00 125.93 1xy3 n LEU 262 Ca 0.12 -2.86 0.10 0.00 -0.03 0.00 0.00 56.01 53.34 1xy3 n LEU 262 Cb 0.48 -0.48 0.68 0.00 -2.33 0.00 0.00 43.42 41.77 1xy3 n LEU 262 CO 0.68 0.68 1.09 0.77 -1.33 0.00 0.00 177.39 179.28 1xy3 h SER 263 N 1.70 0.00 0.29 -1.43 4.64 -1.75 -0.45 113.55 116.54 1xy3 h SER 263 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xy3 h SER 263 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1xy3 h SER 263 CO 0.17 0.00 0.00 4.11 -0.87 0.00 0.00 176.83 180.24 1xy3 h TRP 264 N 0.00 0.00 -3.51 4.77 5.08 -1.86 -1.58 115.95 118.85 1xy3 h TRP 264 Ca 0.02 0.00 -0.74 0.00 1.08 0.00 0.00 58.89 59.25 1xy3 h TRP 264 Cb 0.09 0.00 -0.29 0.00 -3.00 0.00 0.00 29.16 25.95 1xy3 h TRP 264 CO 0.00 0.00 -0.21 -1.58 -1.28 0.00 0.00 178.44 175.37 1xy3 s HIS 265 N -3.57 3.52 -1.75 0.12 5.04 -0.18 -4.63 115.29 113.84 1xy3 s HIS 265 Ca -0.01 -2.09 0.00 0.00 -1.54 0.00 0.00 55.06 51.43 1xy3 s HIS 265 Cb 0.08 -3.55 0.00 0.00 0.04 0.00 0.00 32.58 29.15 1xy3 s HIS 265 CO 0.31 -0.96 0.00 1.63 -2.34 0.00 0.00 174.74 173.38 1xy3 n LYS 266 N 4.26 -1.60 -1.20 2.88 5.02 -1.26 -1.69 118.16 124.57 1xy3 n LYS 266 Ca 0.03 0.98 -0.07 0.00 -2.02 0.00 0.00 58.31 57.23 1xy3 n LYS 266 Cb 0.42 -5.45 -0.03 0.00 -0.02 0.00 0.00 35.03 29.95 1xy3 n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xy3 n GLY 267 N -0.60 0.88 3.62 0.72 0.00 -0.59 -4.95 105.19 104.27 1xy3 n GLY 267 Ca -0.19 -0.44 -0.52 0.00 0.00 0.00 0.00 46.02 44.86 1xy3 n GLY 267 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xy3 n LEU 268 N -0.78 2.00 -4.51 0.99 7.94 -0.68 -4.76 117.00 117.19 1xy3 n LEU 268 Ca -0.07 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.52 1xy3 n LEU 268 Cb 0.29 -1.22 -0.09 0.00 0.53 0.00 0.00 43.42 42.92 1xy3 n LEU 268 CO 0.10 -0.83 0.08 -1.10 -1.11 0.00 0.00 177.39 174.53 1xy3 s GLN 269 N 1.05 3.31 -0.00 1.96 -1.52 -1.26 -2.27 119.66 120.92 1xy3 s GLN 269 Ca 0.86 -0.60 0.22 0.00 -1.95 0.00 0.00 55.36 53.89 1xy3 s GLN 269 Cb -0.92 -3.89 0.37 0.00 -0.22 0.00 0.00 33.01 28.35 1xy3 s GLN 269 CO 0.48 -0.70 1.15 -1.71 -0.25 0.00 0.00 175.29 174.26 1xy3 n ASN 270 N 5.50 0.89 -4.30 5.90 5.15 -1.26 -4.72 115.26 122.42 1xy3 n ASN 270 Ca -0.08 -2.04 -0.21 0.00 -0.60 0.00 0.00 54.58 51.65 1xy3 n ASN 270 Cb 0.48 -0.29 -0.11 0.00 -0.53 0.00 0.00 39.78 39.33 1xy3 n ASN 270 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1xy3 s THR 271 N -0.07 1.64 0.00 -0.44 -4.23 -1.26 -3.98 115.64 107.31 1xy3 s THR 271 Ca 0.30 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1xy3 s THR 271 Cb 0.34 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.48 1xy3 s THR 271 CO -0.15 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1xy3 n GLY 272 N 0.50 3.13 0.64 3.99 0.00 -1.26 -1.52 105.19 110.67 1xy3 n GLY 272 Ca -0.15 -0.07 0.46 0.00 0.00 0.00 0.00 46.02 46.26 1xy3 n GLY 272 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xy3 h LYS 273 N 0.00 0.01 -0.46 1.61 3.64 -2.00 0.27 116.57 119.64 1xy3 h LYS 273 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xy3 h LYS 273 Cb 0.00 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xy3 h LYS 273 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 1xy3 n ASN 274 N -4.06 3.46 -4.66 4.20 4.13 -0.57 -4.97 115.26 112.79 1xy3 n ASN 274 Ca 0.37 -1.97 -0.42 0.00 1.68 0.00 0.00 54.58 54.25 1xy3 n ASN 274 Cb 1.71 -0.30 -0.03 0.00 -1.54 0.00 0.00 39.78 39.62 1xy3 n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xy3 s ALA 275 N -1.26 3.58 0.00 5.41 0.00 0.96 -4.23 121.76 126.22 1xy3 s ALA 275 Ca 0.38 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1xy3 s ALA 275 Cb 0.21 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1xy3 s ALA 275 CO 0.29 -1.50 0.00 0.39 0.00 0.00 0.00 175.76 174.94 1xy3 n GLU 276 N 7.34 0.00 -3.73 0.00 1.02 -1.26 -4.97 120.64 119.04 1xy3 n GLU 276 Ca 0.19 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.97 1xy3 n GLU 276 Cb 0.42 -0.45 -0.08 0.00 -0.02 0.00 0.00 31.44 31.31 1xy3 n GLU 276 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xy3 s VAL 277 N -1.92 5.41 0.26 2.62 1.01 -1.26 -5.09 120.40 121.43 1xy3 s VAL 277 Ca 0.00 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1xy3 s VAL 277 Cb 0.00 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1xy3 s VAL 277 CO 0.00 0.44 -0.07 -0.36 0.00 0.00 0.00 175.10 175.11 1xy3 s PHE 278 N 0.32 1.88 -0.30 5.22 0.40 -1.26 -4.02 117.98 120.22 1xy3 s PHE 278 Ca 0.09 -0.68 -0.00 0.00 -0.60 0.00 0.00 56.93 55.73 1xy3 s PHE 278 Cb -0.11 -1.03 0.06 0.00 0.51 0.00 0.00 43.02 42.45 1xy3 s PHE 278 CO -0.02 0.28 -0.01 0.00 0.70 0.00 0.00 175.22 176.17 1xy3 s ALA 279 N -3.02 2.78 0.20 5.36 0.00 0.30 -4.92 121.76 122.45 1xy3 s ALA 279 Ca 0.28 -1.86 -0.31 0.00 0.00 0.00 0.00 51.96 50.07 1xy3 s ALA 279 Cb 0.03 -1.88 -0.09 0.00 0.00 0.00 0.00 23.12 21.18 1xy3 s ALA 279 CO 0.11 -1.31 1.44 -2.14 0.00 0.00 0.00 175.76 173.85 1xy3 s PRO 280 N 1.18 4.28 -0.24 0.00 0.02 -1.26 -0.86 135.00 138.12 1xy3 s PRO 280 Ca -0.04 2.24 -0.09 0.00 0.02 0.00 0.00 61.00 63.12 1xy3 s PRO 280 Cb -0.20 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 1xy3 s PRO 280 CO -0.03 -0.44 0.13 -0.65 -0.33 0.00 0.00 177.00 175.68 1xy3 s GLN 281 N 0.28 3.92 0.26 5.54 -1.52 0.65 -4.94 119.66 123.85 1xy3 s GLN 281 Ca 0.62 -0.35 0.03 0.00 -1.95 0.00 0.00 55.36 53.72 1xy3 s GLN 281 Cb -0.41 -3.46 0.34 0.00 -0.22 0.00 0.00 33.01 29.26 1xy3 s GLN 281 CO 0.37 -0.03 1.64 0.77 -0.25 0.00 0.00 175.29 177.80 1xy3 h SER 282 N 7.77 0.37 -4.83 5.90 0.02 -1.95 -3.37 113.55 117.48 1xy3 h SER 282 Ca -0.37 -0.17 0.13 0.00 -0.84 0.00 0.00 61.79 60.54 1xy3 h SER 282 Cb 1.18 -0.11 -0.13 0.00 0.14 0.00 0.00 62.40 63.48 1xy3 h SER 282 CO 0.62 0.77 0.50 1.51 -1.14 0.00 0.00 176.83 179.09 1xy3 s ASP 283 N -6.87 -0.31 0.91 3.07 1.47 -1.26 -4.79 116.67 108.88 1xy3 s ASP 283 Ca -0.05 -0.10 -0.12 0.00 1.18 0.00 0.00 52.55 53.45 1xy3 s ASP 283 Cb 0.13 0.40 0.18 0.00 -0.34 0.00 0.00 42.92 43.30 1xy3 s ASP 283 CO 0.79 -0.68 1.25 -2.16 0.68 0.00 0.00 175.17 175.05 1xy3 s PRO 284 N -3.14 0.87 0.02 2.11 0.04 -1.26 -5.12 135.00 128.52 1xy3 s PRO 284 Ca 0.07 -0.59 0.01 0.00 0.04 0.00 0.00 61.00 60.53 1xy3 s PRO 284 Cb -0.01 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 1xy3 s PRO 284 CO -0.06 -2.19 -0.05 0.54 0.04 0.00 0.00 177.00 175.28 1xy3 s ASN 285 N -4.86 0.50 0.50 6.66 4.22 -1.26 -4.80 114.94 115.90 1xy3 s ASN 285 Ca 0.72 -0.34 -0.21 0.00 -2.14 0.00 0.00 52.86 50.89 1xy3 s ASN 285 Cb -0.04 0.02 -0.07 0.00 1.28 0.00 0.00 41.25 42.44 1xy3 s ASN 285 CO 0.51 -0.13 1.13 -0.83 -2.04 0.00 0.00 177.10 175.74 1xy3 s GLY 286 N -0.96 2.68 -0.12 0.45 0.00 -1.26 -4.84 107.32 103.27 1xy3 s GLY 286 Ca -0.07 0.84 -0.01 0.00 0.00 0.00 0.00 44.72 45.47 1xy3 s GLY 286 CO -0.00 1.22 -0.01 -2.27 0.00 0.00 0.00 173.10 172.04 1xy3 s LEU 287 N -3.46 0.94 -0.06 0.66 2.96 -1.26 -0.69 118.68 117.76 1xy3 s LEU 287 Ca 0.69 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1xy3 s LEU 287 Cb -0.25 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 1xy3 s LEU 287 CO 0.29 -0.21 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.32 1xy3 s ILE 288 N 1.86 2.84 0.10 6.68 1.09 -0.80 -5.00 121.20 127.99 1xy3 s ILE 288 Ca 0.03 -0.79 0.06 0.00 -1.10 0.00 0.00 60.65 58.85 1xy3 s ILE 288 Cb -0.14 -2.11 -0.03 0.00 -1.06 0.00 0.00 42.46 39.12 1xy3 s ILE 288 CO -0.07 0.57 -0.16 -0.54 -0.10 0.00 0.00 174.94 174.65 1xy3 s LYS 289 N -0.44 0.98 -0.23 2.79 1.02 -1.26 -1.16 119.74 121.44 1xy3 s LYS 289 Ca 0.05 -1.12 -0.16 0.00 0.02 0.00 0.00 55.97 54.76 1xy3 s LYS 289 Cb -0.12 -0.98 0.07 0.00 -0.52 0.00 0.00 37.83 36.27 1xy3 s LYS 289 CO 0.02 0.21 0.58 0.00 -0.92 0.00 0.00 175.35 175.24 1xy3 s THR 291 N 1.11 1.37 -0.19 0.00 2.01 -1.26 -0.62 115.64 118.06 1xy3 s THR 291 Ca -0.06 -1.07 -0.03 0.00 0.31 0.00 0.00 61.69 60.84 1xy3 s THR 291 Cb -0.06 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 1xy3 s THR 291 CO -0.11 -0.08 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.99 1xy3 s VAL 292 N 1.48 3.33 0.00 3.82 1.01 0.26 -4.97 120.40 125.34 1xy3 s VAL 292 Ca -0.04 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1xy3 s VAL 292 Cb -0.18 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1xy3 s VAL 292 CO -0.07 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1xy3 n GLY 293 N 4.30 3.93 3.84 4.51 0.00 -1.26 -1.40 105.19 119.10 1xy3 n GLY 293 Ca -0.18 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.28 1xy3 n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xy3 s ARG 294 N -1.76 3.93 0.00 1.61 0.52 -1.26 -5.03 118.95 116.97 1xy3 s ARG 294 Ca 0.00 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.63 1xy3 s ARG 294 Cb 0.00 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 32.27 1xy3 s ARG 294 CO 0.00 0.68 0.28 0.43 0.02 0.00 0.00 175.30 176.71