#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 4.23 -0.03 0.00 1.01 -1.26 -4.89 120.40 119.46 1xy3 s VAL 3 Ca 0.00 1.38 -0.14 0.00 0.00 0.00 0.00 61.98 63.22 1xy3 s VAL 3 Cb 0.00 -4.29 -0.32 0.00 0.00 0.00 0.00 36.38 31.77 1xy3 s VAL 3 CO 0.00 -0.56 0.77 0.11 0.00 0.00 0.00 175.10 175.42 1xy3 h LYS 4 N 9.05 0.42 -3.00 2.72 1.57 -2.07 -3.48 116.57 121.78 1xy3 h LYS 4 Ca -0.24 -0.73 -0.11 0.00 -1.87 0.00 0.00 60.65 57.70 1xy3 h LYS 4 Cb 1.08 0.27 -0.20 0.00 0.08 0.00 0.00 32.23 33.46 1xy3 h LYS 4 CO 1.05 1.35 -0.25 0.00 -0.57 0.00 0.00 179.45 181.02 1xy3 s ALA 5 N -2.57 -0.82 -0.24 3.86 0.00 -1.26 -5.17 121.76 115.56 1xy3 s ALA 5 Ca -0.14 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 1xy3 s ALA 5 Cb 0.05 0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.32 1xy3 s ALA 5 CO 0.87 -0.27 0.62 0.00 0.00 0.00 0.00 175.76 176.98 1xy3 s ALA 6 N -1.39 -1.62 0.07 0.00 0.00 -1.26 -5.16 121.76 112.40 1xy3 s ALA 6 Ca -0.13 2.01 -0.02 0.00 0.00 0.00 0.00 51.96 53.82 1xy3 s ALA 6 Cb -0.05 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 1xy3 s ALA 6 CO 0.04 -0.33 0.02 1.03 0.00 0.00 0.00 175.76 176.52 1xy3 s ARG 7 N 1.03 0.69 0.02 0.00 0.52 -1.26 -4.63 118.95 115.33 1xy3 s ARG 7 Ca -0.06 -1.21 -0.28 0.00 -0.52 0.00 0.00 55.73 53.66 1xy3 s ARG 7 Cb -0.05 0.24 0.10 0.00 0.52 0.00 0.00 34.95 35.75 1xy3 s ARG 7 CO -0.10 -0.16 0.97 1.52 0.02 0.00 0.00 175.30 177.55 1xy3 s TYR 8 N -3.93 -0.24 -3.99 -0.53 1.13 -1.15 -4.94 117.35 103.71 1xy3 s TYR 8 Ca 0.09 0.07 0.00 0.00 -1.41 0.00 0.00 57.07 55.82 1xy3 s TYR 8 Cb 0.07 0.57 0.00 0.00 -1.10 0.00 0.00 41.96 41.50 1xy3 s TYR 8 CO -0.09 -0.57 0.00 0.41 -2.51 0.00 0.00 175.55 172.79 1xy3 n GLY 9 N -0.31 -0.54 3.22 5.49 0.00 -1.26 0.66 105.19 112.44 1xy3 n GLY 9 Ca -0.07 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.59 2.78 0.23 1.61 2.47 -0.65 -4.84 119.74 119.74 1xy3 s LYS 10 Ca 0.00 -0.84 0.10 0.00 -1.56 0.00 0.00 55.97 53.67 1xy3 s LYS 10 Cb 0.00 -2.17 -0.04 0.00 -1.46 0.00 0.00 37.83 34.15 1xy3 s LYS 10 CO 0.00 0.22 -0.12 0.34 0.16 0.00 0.00 175.35 175.95 1xy3 s ASP 11 N 0.22 4.01 -1.34 1.43 2.15 -1.26 -1.46 116.67 120.42 1xy3 s ASP 11 Ca -0.14 -0.77 -0.05 0.00 0.43 0.00 0.00 52.55 52.02 1xy3 s ASP 11 Cb -0.16 -0.56 0.02 0.00 -0.30 0.00 0.00 42.92 41.92 1xy3 s ASP 11 CO 0.07 0.06 0.98 0.59 -0.17 0.00 0.00 175.17 176.70 1xy3 n ASN 12 N -0.37 -3.63 -4.43 -0.34 3.02 -1.20 -4.94 115.26 103.37 1xy3 n ASN 12 Ca -0.08 -0.67 -0.44 0.00 -0.03 0.00 0.00 54.58 53.36 1xy3 n ASN 12 Cb 0.58 -4.61 -0.05 0.00 -0.61 0.00 0.00 39.78 35.09 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 -3.41 4.60 0.14 2.41 1.01 -0.51 -4.86 120.40 119.79 1xy3 s VAL 13 Ca 0.30 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1xy3 s VAL 13 Cb -0.14 -4.53 -0.07 0.00 0.00 0.00 0.00 36.38 31.64 1xy3 s VAL 13 CO 0.77 -1.18 1.11 -0.13 0.00 0.00 0.00 175.10 175.66 1xy3 s ARG 14 N 3.32 4.57 -0.00 2.72 0.52 -1.26 -0.60 118.95 128.20 1xy3 s ARG 14 Ca 0.18 1.70 0.01 0.00 -0.52 0.00 0.00 55.73 57.11 1xy3 s ARG 14 Cb -0.19 -3.30 -0.00 0.00 0.52 0.00 0.00 34.95 31.97 1xy3 s ARG 14 CO 0.10 0.01 -0.05 0.08 0.02 0.00 0.00 175.30 175.46 1xy3 s VAL 15 N 0.08 0.38 -0.04 3.52 1.01 0.41 -4.97 120.40 120.80 1xy3 s VAL 15 Ca 0.51 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1xy3 s VAL 15 Cb -0.29 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1xy3 s VAL 15 CO 0.33 0.08 -0.07 -0.47 0.00 0.00 0.00 175.10 174.96 1xy3 s TYR 16 N -0.19 0.89 -0.02 5.22 6.14 -1.26 -1.20 117.35 126.94 1xy3 s TYR 16 Ca 0.01 -0.25 0.01 0.00 0.64 0.00 0.00 57.07 57.48 1xy3 s TYR 16 Cb -0.02 -0.69 0.01 0.00 0.42 0.00 0.00 41.96 41.68 1xy3 s TYR 16 CO -0.00 -0.15 -0.02 0.21 0.64 0.00 0.00 175.55 176.23 1xy3 s LYS 17 N 0.52 0.30 -0.06 4.97 2.20 -0.03 -4.98 119.74 122.67 1xy3 s LYS 17 Ca -0.08 -0.02 0.04 0.00 -0.36 0.00 0.00 55.97 55.55 1xy3 s LYS 17 Cb -0.12 -0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 35.80 1xy3 s LYS 17 CO 0.01 -0.04 -0.16 0.54 -0.36 0.00 0.00 175.35 175.34 1xy3 s VAL 18 N 0.50 2.87 -0.13 4.02 0.11 -1.26 -0.61 120.40 125.90 1xy3 s VAL 18 Ca -0.05 -0.79 -0.01 0.00 -2.93 0.00 0.00 61.98 58.20 1xy3 s VAL 18 Cb -0.08 -2.11 -0.02 0.00 -1.53 0.00 0.00 36.38 32.64 1xy3 s VAL 18 CO -0.01 0.58 -0.10 -2.28 -3.33 0.00 0.00 175.10 169.97 1xy3 s HIS 19 N -0.55 2.89 -0.11 1.54 2.46 0.11 -4.96 115.29 116.67 1xy3 s HIS 19 Ca 0.08 -0.47 0.02 0.00 0.47 0.00 0.00 55.06 55.15 1xy3 s HIS 19 Cb -0.11 -1.87 -0.01 0.00 -0.13 0.00 0.00 32.58 30.46 1xy3 s HIS 19 CO 0.01 -0.11 -0.19 0.15 -2.47 0.00 0.00 174.74 172.13 1xy3 s LYS 20 N 0.25 3.17 -0.48 2.88 1.02 -1.26 -0.79 119.74 124.53 1xy3 s LYS 20 Ca -0.07 -0.79 -0.12 0.00 0.02 0.00 0.00 55.97 55.01 1xy3 s LYS 20 Cb -0.15 -2.44 0.11 0.00 -0.52 0.00 0.00 37.83 34.83 1xy3 s LYS 20 CO 0.04 0.21 0.38 0.34 -0.92 0.00 0.00 175.35 175.41 1xy3 s ASP 21 N 0.30 5.91 0.26 2.83 3.68 -0.81 -4.97 116.67 123.86 1xy3 s ASP 21 Ca -0.14 -1.70 -0.02 0.00 2.13 0.00 0.00 52.55 52.82 1xy3 s ASP 21 Cb -0.17 -2.09 0.49 0.00 -1.45 0.00 0.00 42.92 39.70 1xy3 s ASP 21 CO 0.07 -0.71 1.77 1.05 0.13 0.00 0.00 175.17 177.49 1xy3 h GLU 22 N 8.62 0.64 0.00 4.34 4.11 -1.94 1.06 114.58 131.41 1xy3 h GLU 22 Ca -0.25 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1xy3 h GLU 22 Cb 1.09 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1xy3 h GLU 22 CO 0.90 0.42 0.00 1.63 0.07 0.00 0.00 179.01 182.03 1xy3 n LYS 23 N -4.84 0.00 -0.12 1.06 5.02 -1.26 -3.86 118.16 114.16 1xy3 n LYS 23 Ca 0.16 0.06 0.01 0.00 -2.02 0.00 0.00 58.31 56.52 1xy3 n LYS 23 Cb 0.39 -0.96 0.29 0.00 -0.02 0.00 0.00 35.03 34.73 1xy3 n LYS 23 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1xy3 h THR 24 N 0.00 1.17 0.00 -0.18 1.35 -2.00 -3.46 112.91 109.79 1xy3 h THR 24 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1xy3 h THR 24 Cb 0.00 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 66.79 1xy3 h THR 24 CO 0.00 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 1xy3 n GLY 25 N -1.29 0.75 3.72 5.82 0.00 0.37 -5.04 105.19 109.52 1xy3 n GLY 25 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.34 4.52 -0.06 1.61 1.01 -1.24 -4.77 120.40 119.13 1xy3 s VAL 26 Ca 0.00 2.03 0.02 0.00 0.00 0.00 0.00 61.98 64.02 1xy3 s VAL 26 Cb 0.00 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1xy3 s VAL 26 CO 0.00 0.28 -0.09 -1.10 0.00 0.00 0.00 175.10 174.18 1xy3 s GLN 27 N 0.21 2.65 -0.07 2.72 -0.21 0.33 -1.93 119.66 123.36 1xy3 s GLN 27 Ca 0.48 -0.60 0.03 0.00 0.02 0.00 0.00 55.36 55.29 1xy3 s GLN 27 Cb -0.23 -2.51 0.01 0.00 1.00 0.00 0.00 33.01 31.27 1xy3 s GLN 27 CO 0.30 0.65 -0.16 0.99 -2.12 0.00 0.00 175.29 174.95 1xy3 s THR 28 N -0.79 1.43 0.08 -0.19 2.01 0.03 -4.57 115.64 113.64 1xy3 s THR 28 Ca 0.12 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.53 1xy3 s THR 28 Cb -0.11 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1xy3 s THR 28 CO 0.01 0.42 -0.11 0.68 -0.69 0.00 0.00 174.62 174.93 1xy3 s VAL 29 N 0.47 3.30 -0.06 3.82 -7.23 -1.26 0.09 120.40 119.53 1xy3 s VAL 29 Ca -0.14 -1.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.86 1xy3 s VAL 29 Cb -0.16 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.31 1xy3 s VAL 29 CO 0.05 0.20 -0.06 -0.31 -0.31 0.00 0.00 175.10 174.66 1xy3 s TYR 30 N -1.13 0.95 -0.07 2.82 2.02 0.22 -4.88 117.35 117.28 1xy3 s TYR 30 Ca 0.19 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 1xy3 s TYR 30 Cb -0.11 -0.81 0.01 0.00 -0.40 0.00 0.00 41.96 40.65 1xy3 s TYR 30 CO 0.11 -0.25 -0.14 -2.00 -1.57 0.00 0.00 175.55 171.71 1xy3 s GLU 31 N 1.02 1.88 0.08 -0.62 2.12 -1.26 -0.85 118.70 121.07 1xy3 s GLU 31 Ca -0.09 -0.48 -0.09 0.00 0.36 0.00 0.00 54.97 54.67 1xy3 s GLU 31 Cb -0.14 -1.52 -0.00 0.00 0.26 0.00 0.00 34.13 32.72 1xy3 s GLU 31 CO -0.00 0.05 0.19 0.00 -0.54 0.00 0.00 175.26 174.96 1xy3 s MET 32 N 0.61 0.83 -0.18 4.30 0.23 -0.34 -0.92 119.30 123.83 1xy3 s MET 32 Ca -0.15 -0.91 -0.03 0.00 -1.03 0.00 0.00 55.69 53.57 1xy3 s MET 32 Cb -0.16 0.34 -0.01 0.00 -1.53 0.00 0.00 34.83 33.46 1xy3 s MET 32 CO 0.04 -0.26 -0.07 0.99 -2.03 0.00 0.00 175.02 173.69 1xy3 s THR 33 N -3.69 3.35 -0.06 3.16 2.01 -0.37 -0.44 115.64 119.60 1xy3 s THR 33 Ca 0.04 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.54 1xy3 s THR 33 Cb 0.04 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1xy3 s THR 33 CO -0.10 0.47 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.48 1xy3 s VAL 34 N 0.89 3.20 -0.08 3.82 1.01 0.23 -1.63 120.40 127.83 1xy3 s VAL 34 Ca -0.02 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1xy3 s VAL 34 Cb -0.15 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1xy3 s VAL 34 CO 0.01 0.59 -0.13 0.00 0.00 0.00 0.00 175.10 175.57 1xy3 s VAL 36 N 0.83 1.23 -0.06 0.00 1.01 -0.54 -0.26 120.40 122.61 1xy3 s VAL 36 Ca -0.11 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1xy3 s VAL 36 Cb -0.15 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1xy3 s VAL 36 CO 0.02 0.39 -0.21 -0.76 0.00 0.00 0.00 175.10 174.54 1xy3 s LEU 37 N 1.27 1.99 0.24 3.92 1.43 -0.25 -1.64 118.68 125.63 1xy3 s LEU 37 Ca -0.02 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1xy3 s LEU 37 Cb -0.14 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1xy3 s LEU 37 CO -0.04 0.19 0.09 -0.76 0.23 0.00 0.00 176.35 176.06 1xy3 s LEU 38 N 0.00 3.52 -0.05 1.79 1.43 0.21 -0.68 118.68 124.90 1xy3 s LEU 38 Ca -0.05 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 1xy3 s LEU 38 Cb -0.13 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.03 1xy3 s LEU 38 CO 0.03 0.00 0.14 -1.61 0.23 0.00 0.00 176.35 175.14 1xy3 s GLU 39 N -3.61 0.17 0.00 1.70 2.02 -0.13 -2.93 118.70 115.91 1xy3 s GLU 39 Ca 0.31 0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.48 1xy3 s GLU 39 Cb -0.08 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.24 1xy3 s GLU 39 CO 0.22 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.89 1xy3 n GLY 40 N 2.95 -0.70 2.60 -1.39 0.00 -1.26 -0.80 105.19 106.59 1xy3 n GLY 40 Ca -0.13 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 3.65 -0.11 1.61 1.02 0.12 -4.52 120.64 122.41 1xy3 n GLU 41 Ca 0.00 -2.91 0.04 0.00 -0.02 0.00 0.00 57.16 54.27 1xy3 n GLU 41 Cb 0.00 -2.93 0.10 0.00 -0.02 0.00 0.00 31.44 28.59 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 3.53 1.09 -0.33 -3.67 -5.35 -1.26 -4.71 119.36 108.66 1xy3 n ILE 42 Ca 0.58 -1.08 0.14 0.00 -0.27 0.00 0.00 62.75 62.12 1xy3 n ILE 42 Cb 0.31 0.44 0.36 0.00 -1.74 0.00 0.00 39.64 39.01 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 1.13 0.67 0.00 6.28 3.07 -1.99 -1.98 114.58 121.76 1xy3 h GLU 43 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1xy3 h GLU 43 Cb 0.68 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1xy3 h GLU 43 CO 0.01 0.44 0.00 1.79 -1.40 0.00 0.00 179.01 179.85 1xy3 h THR 44 N 0.69 0.00 0.00 1.13 1.35 -1.90 -0.36 112.91 113.82 1xy3 h THR 44 Ca 0.56 -0.09 -0.06 0.00 -0.55 0.00 0.00 66.41 66.26 1xy3 h THR 44 Cb 0.97 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1xy3 h THR 44 CO -0.34 0.00 -0.31 0.77 -0.25 0.00 0.00 175.52 175.40 1xy3 h SER 45 N 0.00 0.00 0.04 5.36 4.64 -1.41 0.80 113.55 122.98 1xy3 h SER 45 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1xy3 h SER 45 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 1xy3 h SER 45 CO 0.00 0.31 -1.53 -1.22 -0.87 0.00 0.00 176.83 173.52 1xy3 n TYR 46 N -3.26 1.09 0.07 4.77 4.02 -0.29 -3.04 117.16 120.53 1xy3 n TYR 46 Ca 0.02 0.38 -0.12 0.00 -0.01 0.00 0.00 57.90 58.16 1xy3 n TYR 46 Cb 0.59 -1.12 -0.13 0.00 -0.02 0.00 0.00 39.34 38.65 1xy3 n TYR 46 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1xy3 h THR 47 N -0.64 1.50 0.00 -0.72 1.35 -1.24 -3.38 112.91 109.77 1xy3 h THR 47 Ca -0.38 -3.15 0.00 0.00 -0.55 0.00 0.00 66.41 62.33 1xy3 h THR 47 Cb 1.56 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.83 1xy3 h THR 47 CO -0.11 0.89 0.00 0.29 -0.25 0.00 0.00 175.52 176.34 1xy3 n LYS 48 N -3.42 1.91 -2.89 4.72 4.76 0.16 -5.00 118.16 118.39 1xy3 n LYS 48 Ca -0.07 -0.31 -0.14 0.00 -2.87 0.00 0.00 58.31 54.92 1xy3 n LYS 48 Cb 1.00 -0.81 0.03 0.00 -1.84 0.00 0.00 35.03 33.41 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 -0.36 -0.68 -2.72 7.82 0.00 -0.50 -4.96 120.51 119.11 1xy3 n ALA 49 Ca 0.00 0.21 -0.43 0.00 0.00 0.00 0.00 53.44 53.21 1xy3 n ALA 49 Cb 0.00 -2.99 -0.06 0.00 0.00 0.00 0.00 19.45 16.40 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 -2.95 6.25 0.00 0.00 2.15 -0.52 -4.92 116.67 116.68 1xy3 s ASP 50 Ca 0.25 -0.76 0.29 0.00 0.43 0.00 0.00 52.55 52.76 1xy3 s ASP 50 Cb -0.11 -2.32 1.34 0.00 -0.30 0.00 0.00 42.92 41.53 1xy3 s ASP 50 CO 0.31 -0.94 1.92 0.59 -0.17 0.00 0.00 175.17 176.89 1xy3 n ASN 51 N 6.39 0.54 0.18 -0.34 3.02 -1.26 -3.60 115.26 120.20 1xy3 n ASN 51 Ca -0.05 -0.82 0.04 0.00 -0.03 0.00 0.00 54.58 53.73 1xy3 n ASN 51 Cb 0.46 -0.05 0.47 0.00 -0.61 0.00 0.00 39.78 40.05 1xy3 n ASN 51 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1xy3 h SER 52 N 0.75 0.10 0.09 6.41 4.64 -1.98 -1.91 113.55 121.64 1xy3 h SER 52 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1xy3 h SER 52 Cb 0.31 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1xy3 h SER 52 CO 0.00 0.25 -0.06 1.33 -0.87 0.00 0.00 176.83 177.48 1xy3 n VAL 53 N -4.33 0.00 -3.56 0.95 0.24 -1.25 -4.86 118.33 105.52 1xy3 n VAL 53 Ca -0.02 -0.15 -0.37 0.00 -2.04 0.00 0.00 64.34 61.76 1xy3 n VAL 53 Cb 0.23 0.19 -0.08 0.00 -1.47 0.00 0.00 33.84 32.72 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 -2.15 5.31 -0.43 1.34 1.01 -0.72 -4.89 121.20 120.67 1xy3 s ILE 54 Ca 0.36 0.44 -0.20 0.00 0.00 0.00 0.00 60.65 61.26 1xy3 s ILE 54 Cb 0.21 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 39.10 1xy3 s ILE 54 CO 0.39 0.35 0.59 -0.69 0.00 0.00 0.00 174.94 175.59 1xy3 s VAL 55 N 0.80 4.89 0.12 2.92 1.01 -1.26 -5.01 120.40 123.87 1xy3 s VAL 55 Ca 0.14 0.04 -0.35 0.00 0.00 0.00 0.00 61.98 61.81 1xy3 s VAL 55 Cb -0.13 -4.16 -0.17 0.00 0.00 0.00 0.00 36.38 31.92 1xy3 s VAL 55 CO 0.04 -0.53 1.14 0.00 0.00 0.00 0.00 175.10 175.74 1xy3 n ALA 56 N 6.10 -1.61 0.04 5.51 0.00 -1.26 -4.77 120.51 124.51 1xy3 n ALA 56 Ca -0.03 0.50 0.07 0.00 0.00 0.00 0.00 53.44 53.99 1xy3 n ALA 56 Cb 0.48 -1.95 0.50 0.00 0.00 0.00 0.00 19.45 18.48 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 2.77 1.02 -0.30 0.00 1.35 -1.95 0.22 112.91 116.03 1xy3 h THR 57 Ca -0.45 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.25 1xy3 h THR 57 Cb 1.37 0.61 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 1xy3 h THR 57 CO 0.70 0.07 0.04 -0.78 -0.25 0.00 0.00 175.52 175.30 1xy3 h ASP 58 N 0.38 0.40 0.99 5.36 3.58 -1.94 0.23 116.42 125.43 1xy3 h ASP 58 Ca 0.15 -0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.38 1xy3 h ASP 58 Cb 0.13 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1xy3 h ASP 58 CO -0.03 0.44 -0.78 0.28 -2.88 0.00 0.00 179.24 176.27 1xy3 h SER 59 N 0.43 0.00 -0.57 2.28 0.02 -1.00 -2.61 113.55 112.10 1xy3 h SER 59 Ca 0.10 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1xy3 h SER 59 Cb 0.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1xy3 h SER 59 CO 0.00 0.78 -0.01 0.40 -1.14 0.00 0.00 176.83 176.86 1xy3 h ILE 60 N 0.00 1.26 -0.17 3.27 2.04 0.54 -1.83 117.51 122.63 1xy3 h ILE 60 Ca -0.01 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 1xy3 h ILE 60 Cb 1.48 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1xy3 h ILE 60 CO 0.10 0.41 0.06 0.50 0.00 0.00 0.00 178.15 179.23 1xy3 h LYS 61 N 0.94 0.25 -0.69 2.37 3.64 -0.91 -2.40 116.57 119.77 1xy3 h LYS 61 Ca 0.17 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1xy3 h LYS 61 Cb 0.55 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.27 1xy3 h LYS 61 CO 0.03 0.34 0.35 -0.91 -2.27 0.00 0.00 179.45 176.99 1xy3 h ASN 62 N 0.11 0.46 -0.92 4.20 2.35 -1.29 -1.66 115.58 118.83 1xy3 h ASN 62 Ca 0.05 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 1xy3 h ASN 62 Cb 0.19 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 1xy3 h ASN 62 CO -0.00 0.27 0.61 0.74 -1.65 0.00 0.00 177.43 177.40 1xy3 h THR 63 N 0.60 1.19 -0.40 2.81 2.02 -1.04 -0.01 112.91 118.08 1xy3 h THR 63 Ca 0.33 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 1xy3 h THR 63 Cb 0.32 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1xy3 h THR 63 CO -0.25 0.22 0.02 0.40 0.37 0.00 0.00 175.52 176.28 1xy3 h ILE 64 N 1.19 1.21 -0.06 3.11 2.04 -0.81 0.22 117.51 124.41 1xy3 h ILE 64 Ca 0.35 -0.83 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 1xy3 h ILE 64 Cb -0.04 0.89 0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1xy3 h ILE 64 CO -0.10 0.29 -0.45 1.88 0.00 0.00 0.00 178.15 179.78 1xy3 h TYR 65 N 0.60 0.56 -0.57 1.37 0.05 -1.02 -2.15 116.97 115.80 1xy3 h TYR 65 Ca 0.13 -0.26 -0.02 0.00 0.05 0.00 0.00 58.73 58.63 1xy3 h TYR 65 Cb 0.35 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 1xy3 h TYR 65 CO 0.01 1.04 0.30 0.82 -1.05 0.00 0.00 178.16 179.28 1xy3 h ILE 66 N -0.08 1.20 -0.66 -2.88 2.04 -0.76 -1.81 117.51 114.56 1xy3 h ILE 66 Ca -0.04 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 1xy3 h ILE 66 Cb 1.12 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1xy3 h ILE 66 CO 0.09 0.22 0.23 0.74 0.00 0.00 0.00 178.15 179.43 1xy3 h THR 67 N 0.77 1.24 -0.09 -0.27 2.02 -0.60 -2.14 112.91 113.84 1xy3 h THR 67 Ca 0.20 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 1xy3 h THR 67 Cb 0.08 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1xy3 h THR 67 CO -0.03 0.31 -0.17 0.00 0.37 0.00 0.00 175.52 176.00 1xy3 h ALA 68 N 1.10 1.56 -0.16 6.16 0.00 -1.10 -1.99 119.26 124.83 1xy3 h ALA 68 Ca 0.22 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1xy3 h ALA 68 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xy3 h ALA 68 CO -0.01 0.32 -0.43 -0.22 0.00 0.00 0.00 179.25 178.91 1xy3 h LYS 69 N 0.13 0.56 -0.00 0.00 1.63 -0.83 -3.31 116.57 114.75 1xy3 h LYS 69 Ca 0.03 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1xy3 h LYS 69 Cb 0.38 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1xy3 h LYS 69 CO 0.02 1.02 -0.30 1.04 -3.45 0.00 0.00 179.45 177.78 1xy3 n GLN 70 N -4.26 0.09 -4.22 1.90 6.02 -0.85 -4.93 117.38 111.13 1xy3 n GLN 70 Ca -0.07 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.76 1xy3 n GLN 70 Cb 0.55 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.21 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 -2.94 0.80 0.32 1.08 0.01 -0.76 -5.09 114.94 108.36 1xy3 s ASN 71 Ca 0.14 -1.26 -0.28 0.00 -0.71 0.00 0.00 52.86 50.75 1xy3 s ASN 71 Cb 0.18 0.22 -0.09 0.00 0.41 0.00 0.00 41.25 41.96 1xy3 s ASN 71 CO 0.62 -0.69 1.12 -2.16 -1.51 0.00 0.00 177.10 174.48 1xy3 s PRO 72 N -4.01 4.46 0.00 -0.60 0.04 -1.26 -4.68 135.00 128.94 1xy3 s PRO 72 Ca 0.29 1.80 0.22 0.00 0.04 0.00 0.00 61.00 63.35 1xy3 s PRO 72 Cb 0.07 -3.01 0.50 0.00 0.04 0.00 0.00 34.50 32.11 1xy3 s PRO 72 CO 0.06 0.05 1.44 1.33 0.04 0.00 0.00 177.00 179.93 1xy3 n VAL 73 N 0.80 0.57 -3.84 -0.36 0.24 -1.26 -4.40 118.33 110.09 1xy3 n VAL 73 Ca 0.01 -0.75 -0.13 0.00 -2.04 0.00 0.00 64.34 61.44 1xy3 n VAL 73 Cb 0.45 0.79 -0.14 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.43 -0.01 0.74 3.34 -1.32 -1.26 -3.89 115.64 111.80 1xy3 s THR 74 Ca 0.40 0.04 -0.11 0.00 -1.21 0.00 0.00 61.69 60.80 1xy3 s THR 74 Cb 0.22 -0.10 0.03 0.00 -1.51 0.00 0.00 72.50 71.15 1xy3 s THR 74 CO 0.31 0.01 1.07 -2.16 -2.21 0.00 0.00 174.62 171.65 1xy3 s PRO 75 N 0.22 2.60 0.38 7.08 0.04 -1.26 -4.89 135.00 139.17 1xy3 s PRO 75 Ca -0.02 0.86 0.09 0.00 0.04 0.00 0.00 61.00 61.97 1xy3 s PRO 75 Cb -0.02 -1.96 0.84 0.00 0.04 0.00 0.00 34.50 33.40 1xy3 s PRO 75 CO -0.01 -1.31 1.95 -1.00 0.04 0.00 0.00 177.00 176.67 1xy3 h PRO 76 N -0.87 0.62 -0.61 0.56 0.13 -1.97 -1.00 132.00 128.86 1xy3 h PRO 76 Ca -0.45 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1xy3 h PRO 76 Cb 1.23 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1xy3 h PRO 76 CO 0.57 0.41 0.41 0.93 -0.23 0.00 0.00 178.00 180.09 1xy3 h GLU 77 N 0.64 0.72 0.11 0.86 3.07 -1.95 0.12 114.58 118.15 1xy3 h GLU 77 Ca 0.33 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.14 1xy3 h GLU 77 Cb 0.44 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1xy3 h GLU 77 CO -0.11 0.47 -0.05 1.25 -1.40 0.00 0.00 179.01 179.17 1xy3 h LEU 78 N 0.74 -0.12 -0.63 1.33 5.85 -1.57 -2.83 115.31 118.08 1xy3 h LEU 78 Ca 0.24 -0.45 0.08 0.00 0.84 0.00 0.00 57.88 58.59 1xy3 h LEU 78 Cb 0.06 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1xy3 h LEU 78 CO -0.06 0.50 0.30 0.15 -0.34 0.00 0.00 178.44 178.98 1xy3 h PHE 79 N -0.86 0.54 -0.70 1.25 3.57 -1.23 -0.43 116.94 119.08 1xy3 h PHE 79 Ca -0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1xy3 h PHE 79 Cb 0.56 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1xy3 h PHE 79 CO 0.11 0.21 0.46 0.78 -2.23 0.00 0.00 178.31 177.64 1xy3 h GLY 80 N 0.54 0.97 0.74 2.40 0.00 -0.86 0.17 103.07 107.02 1xy3 h GLY 80 Ca 0.30 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1xy3 h GLY 80 CO -0.24 0.29 -0.18 1.76 0.00 0.00 0.00 176.54 178.17 1xy3 h SER 81 N 0.84 0.40 -0.81 0.19 0.02 -0.89 -1.46 113.55 111.83 1xy3 h SER 81 Ca 0.28 -0.51 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1xy3 h SER 81 Cb 0.07 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1xy3 h SER 81 CO -0.08 0.83 0.41 0.40 -1.14 0.00 0.00 176.83 177.25 1xy3 h ILE 82 N -0.03 1.25 -0.01 3.27 2.04 -0.72 0.50 117.51 123.82 1xy3 h ILE 82 Ca 0.02 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1xy3 h ILE 82 Cb 0.73 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1xy3 h ILE 82 CO 0.04 0.29 0.00 0.25 0.00 0.00 0.00 178.15 178.73 1xy3 h LEU 83 N 1.14 0.01 -0.65 1.44 5.85 -0.62 -2.10 115.31 120.38 1xy3 h LEU 83 Ca 0.28 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1xy3 h LEU 83 Cb 0.09 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1xy3 h LEU 83 CO -0.04 0.24 -0.05 1.23 -0.34 0.00 0.00 178.44 179.48 1xy3 h GLY 84 N -0.22 1.09 1.52 3.75 0.00 -1.13 -2.99 103.07 105.08 1xy3 h GLY 84 Ca 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 47.33 46.46 1xy3 h GLY 84 CO 0.00 0.76 0.01 -0.84 0.00 0.00 0.00 176.54 176.47 1xy3 h THR 85 N 0.91 1.21 -0.27 4.70 2.02 -0.87 -2.80 112.91 117.81 1xy3 h THR 85 Ca 0.15 -0.83 0.05 0.00 0.77 0.00 0.00 66.41 66.55 1xy3 h THR 85 Cb 0.60 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1xy3 h THR 85 CO 0.04 0.29 -0.01 -0.74 0.37 0.00 0.00 175.52 175.46 1xy3 h HIS 86 N 0.57 -0.04 -0.88 3.16 6.17 -1.22 -2.60 115.15 120.31 1xy3 h HIS 86 Ca 0.12 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.23 1xy3 h HIS 86 Cb 0.35 0.06 -0.04 0.00 2.52 0.00 0.00 27.41 30.29 1xy3 h HIS 86 CO 0.01 -0.06 0.57 0.74 0.71 0.00 0.00 177.93 179.91 1xy3 h PHE 87 N 0.07 1.12 0.00 5.26 0.04 -1.52 -0.29 116.94 121.62 1xy3 h PHE 87 Ca 0.13 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1xy3 h PHE 87 Cb 0.17 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 37.94 1xy3 h PHE 87 CO -0.22 0.72 0.00 -0.84 -0.60 0.00 0.00 178.31 177.37 1xy3 h ILE 88 N 1.20 0.00 0.04 -0.55 3.07 -1.52 -2.70 117.51 117.06 1xy3 h ILE 88 Ca 0.32 -0.81 -0.32 0.00 1.55 0.00 0.00 64.86 65.61 1xy3 h ILE 88 Cb -0.12 1.80 -0.04 0.00 -0.27 0.00 0.00 36.82 38.19 1xy3 h ILE 88 CO -0.07 0.00 -1.85 -0.62 -1.05 0.00 0.00 178.15 174.57 1xy3 n GLU 89 N -3.06 0.68 0.10 0.16 1.02 -0.99 -4.32 120.64 114.22 1xy3 n GLU 89 Ca 0.03 0.27 -0.17 0.00 -0.02 0.00 0.00 57.16 57.27 1xy3 n GLU 89 Cb 0.44 -1.75 -0.11 0.00 -0.02 0.00 0.00 31.44 30.00 1xy3 n GLU 89 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1xy3 h LYS 90 N 0.02 0.41 -4.97 3.49 1.63 -1.10 -3.44 116.57 112.62 1xy3 h LYS 90 Ca -0.35 -0.58 -0.67 0.00 -0.85 0.00 0.00 60.65 58.21 1xy3 h LYS 90 Cb 2.03 0.20 -0.31 0.00 -0.60 0.00 0.00 32.23 33.54 1xy3 h LYS 90 CO 0.08 1.24 -0.77 0.71 -3.45 0.00 0.00 179.45 177.26 1xy3 s TYR 91 N -2.89 2.97 0.24 1.91 2.02 -1.02 -5.01 117.35 115.57 1xy3 s TYR 91 Ca -0.06 -1.41 -0.06 0.00 -0.37 0.00 0.00 57.07 55.17 1xy3 s TYR 91 Cb 0.07 -2.04 0.28 0.00 -0.40 0.00 0.00 41.96 39.87 1xy3 s TYR 91 CO 0.90 -0.70 1.88 -0.91 -1.57 0.00 0.00 175.55 175.15 1xy3 h ASN 92 N 8.02 0.93 0.67 2.29 2.35 -1.85 -2.75 115.58 125.23 1xy3 h ASN 92 Ca -0.38 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1xy3 h ASN 92 Cb 1.13 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1xy3 h ASN 92 CO 0.60 0.63 -0.04 0.00 -1.65 0.00 0.00 177.43 176.97 1xy3 n HIS 93 N -4.55 0.00 -3.31 1.19 1.44 -1.26 -4.68 115.22 104.05 1xy3 n HIS 93 Ca 0.11 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.40 1xy3 n HIS 93 Cb 0.11 -0.34 -0.09 0.00 0.12 0.00 0.00 29.99 29.79 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 -2.71 5.08 -0.69 0.61 -1.09 -1.04 0.15 121.20 121.50 1xy3 s ILE 94 Ca 0.23 -0.12 0.20 0.00 -2.23 0.00 0.00 60.65 58.73 1xy3 s ILE 94 Cb 0.20 -3.99 -0.24 0.00 -1.58 0.00 0.00 42.46 36.85 1xy3 s ILE 94 CO 0.50 -0.33 0.73 1.41 -1.23 0.00 0.00 174.94 176.02 1xy3 n HIS 95 N 5.62 0.00 -3.83 3.97 8.25 0.02 -4.49 115.22 124.76 1xy3 n HIS 95 Ca -0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.27 1xy3 n HIS 95 Cb 0.48 -0.12 -0.12 0.00 1.12 0.00 0.00 29.99 31.35 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 -2.98 -0.39 -0.05 -1.41 0.00 -0.55 -0.08 121.76 116.29 1xy3 s ALA 96 Ca 0.04 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.35 1xy3 s ALA 96 Cb 0.14 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1xy3 s ALA 96 CO 0.81 -0.10 -0.07 0.00 0.00 0.00 0.00 175.76 176.40 1xy3 s ALA 97 N -0.20 0.83 -0.25 0.00 0.00 -0.40 -0.96 121.76 120.78 1xy3 s ALA 97 Ca -0.03 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1xy3 s ALA 97 Cb -0.02 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.68 1xy3 s ALA 97 CO 0.00 0.03 -0.09 -1.01 0.00 0.00 0.00 175.76 174.69 1xy3 s HIS 98 N 0.83 3.13 -0.21 0.00 3.76 0.14 -0.88 115.29 122.07 1xy3 s HIS 98 Ca -0.12 -1.93 -0.04 0.00 -0.15 0.00 0.00 55.06 52.82 1xy3 s HIS 98 Cb -0.15 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.53 1xy3 s HIS 98 CO 0.01 -0.81 -0.04 0.08 -0.85 0.00 0.00 174.74 173.13 1xy3 s VAL 99 N 1.22 3.50 -0.08 -0.90 1.01 0.42 -1.09 120.40 124.48 1xy3 s VAL 99 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1xy3 s VAL 99 Cb -0.18 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1xy3 s VAL 99 CO -0.05 0.43 -0.07 0.21 0.00 0.00 0.00 175.10 175.62 1xy3 s ASN 100 N 1.24 4.65 -0.02 3.32 2.47 0.64 -0.75 114.94 126.49 1xy3 s ASN 100 Ca 0.03 -0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.27 1xy3 s ASN 100 Cb -0.14 -1.27 0.02 0.00 -1.45 0.00 0.00 41.25 38.41 1xy3 s ASN 100 CO -0.01 0.33 0.00 -0.63 -3.72 0.00 0.00 177.10 173.07 1xy3 s ILE 101 N -0.61 0.12 -0.18 -5.21 1.01 -0.55 -1.01 121.20 114.78 1xy3 s ILE 101 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1xy3 s ILE 101 Cb -0.12 -0.21 0.01 0.00 0.01 0.00 0.00 42.46 42.15 1xy3 s ILE 101 CO 0.02 0.12 -0.17 -0.69 0.00 0.00 0.00 174.94 174.21 1xy3 s VAL 102 N 0.91 2.30 -0.22 2.92 1.01 -0.65 -1.54 120.40 125.13 1xy3 s VAL 102 Ca -0.09 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 1xy3 s VAL 102 Cb -0.12 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1xy3 s VAL 102 CO -0.02 0.52 0.26 0.00 0.00 0.00 0.00 175.10 175.87 1xy3 s HIS 104 N 1.16 3.71 0.01 0.00 3.76 -0.09 -3.12 115.29 120.72 1xy3 s HIS 104 Ca 0.13 0.95 -0.30 0.00 -0.15 0.00 0.00 55.06 55.69 1xy3 s HIS 104 Cb -0.14 -2.27 -0.05 0.00 1.11 0.00 0.00 32.58 31.23 1xy3 s HIS 104 CO 0.06 0.64 1.33 1.03 -0.85 0.00 0.00 174.74 176.95 1xy3 s ARG 105 N -1.03 4.32 -0.42 1.40 0.52 -1.26 -4.41 118.95 118.07 1xy3 s ARG 105 Ca 0.23 1.88 0.02 0.00 -0.52 0.00 0.00 55.73 57.34 1xy3 s ARG 105 Cb -0.16 -3.51 0.15 0.00 0.52 0.00 0.00 34.95 31.95 1xy3 s ARG 105 CO 0.13 -0.49 0.27 -1.58 0.02 0.00 0.00 175.30 173.64 1xy3 s TRP 106 N 2.05 1.46 -0.03 -0.53 0.23 -1.26 -4.36 118.94 116.50 1xy3 s TRP 106 Ca 0.61 -2.18 -0.22 0.00 -2.03 0.00 0.00 56.10 52.29 1xy3 s TRP 106 Cb -0.30 -1.40 -0.05 0.00 0.03 0.00 0.00 33.47 31.75 1xy3 s TRP 106 CO 0.26 -0.79 0.63 0.99 0.96 0.00 0.00 176.95 179.00 1xy3 s THR 107 N 0.43 4.96 0.23 2.01 2.01 -0.35 -4.81 115.64 120.11 1xy3 s THR 107 Ca 0.21 1.32 -0.32 0.00 0.31 0.00 0.00 61.69 63.21 1xy3 s THR 107 Cb -0.17 -3.97 -0.13 0.00 0.01 0.00 0.00 72.50 68.24 1xy3 s THR 107 CO -0.05 0.35 1.59 -1.14 -0.69 0.00 0.00 174.62 174.69 1xy3 n ARG 108 N 3.13 2.46 -1.48 4.92 0.63 -1.26 -0.95 116.66 124.11 1xy3 n ARG 108 Ca -0.05 0.88 -0.32 0.00 -0.92 0.00 0.00 57.85 57.45 1xy3 n ARG 108 Cb 0.51 -2.66 0.07 0.00 0.45 0.00 0.00 32.46 30.83 1xy3 n ARG 108 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1xy3 s MET 109 N 0.32 2.58 -0.25 -0.14 -1.94 0.07 -4.85 119.30 115.10 1xy3 s MET 109 Ca 0.71 1.17 0.02 0.00 -1.71 0.00 0.00 55.69 55.89 1xy3 s MET 109 Cb -0.57 -1.94 0.06 0.00 2.01 0.00 0.00 34.83 34.39 1xy3 s MET 109 CO 0.42 -1.40 -0.10 -0.51 -0.01 0.00 0.00 175.02 173.42 1xy3 s ASP 110 N -3.26 4.18 -0.19 3.03 1.01 -1.26 -1.53 116.67 118.64 1xy3 s ASP 110 Ca 0.62 -1.28 -0.03 0.00 0.71 0.00 0.00 52.55 52.56 1xy3 s ASP 110 Cb -0.17 -1.44 -0.01 0.00 1.01 0.00 0.00 42.92 42.31 1xy3 s ASP 110 CO 0.51 -0.19 -0.05 -0.63 0.21 0.00 0.00 175.17 175.02 1xy3 s ILE 111 N 1.20 3.44 -1.61 0.77 -1.09 -0.28 -4.52 121.20 119.11 1xy3 s ILE 111 Ca -0.07 -0.49 -0.03 0.00 -2.23 0.00 0.00 60.65 57.83 1xy3 s ILE 111 Cb -0.19 -2.54 0.01 0.00 -1.58 0.00 0.00 42.46 38.16 1xy3 s ILE 111 CO -0.06 0.45 0.33 0.47 -1.23 0.00 0.00 174.94 174.90 1xy3 n ASP 112 N 4.35 -5.81 0.00 3.58 8.00 -1.26 -1.62 116.55 123.80 1xy3 n ASP 112 Ca -0.18 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1xy3 n ASP 112 Cb 0.51 -4.76 0.00 0.00 -0.02 0.00 0.00 41.12 36.85 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 -1.27 0.86 3.26 0.44 0.00 -1.26 -5.02 105.19 102.20 1xy3 n GLY 113 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.04 2.06 0.17 1.61 -2.85 -0.64 -5.08 119.74 114.97 1xy3 s LYS 114 Ca 0.00 -0.85 -0.32 0.00 -1.00 0.00 0.00 55.97 53.81 1xy3 s LYS 114 Cb 0.00 -1.91 -0.11 0.00 -2.06 0.00 0.00 37.83 33.75 1xy3 s LYS 114 CO 0.00 0.46 1.65 -2.14 0.10 0.00 0.00 175.35 175.43 1xy3 s PRO 115 N -0.43 4.17 0.15 1.78 0.02 -1.26 -1.13 135.00 138.30 1xy3 s PRO 115 Ca 0.05 2.47 -0.28 0.00 0.02 0.00 0.00 61.00 63.26 1xy3 s PRO 115 Cb -0.10 -3.19 -0.07 0.00 0.02 0.00 0.00 34.50 31.15 1xy3 s PRO 115 CO 0.00 -0.69 0.88 -1.58 -0.33 0.00 0.00 177.00 175.29 1xy3 s HIS 116 N 1.39 3.87 0.13 6.54 2.46 -0.58 -4.91 115.29 124.19 1xy3 s HIS 116 Ca 0.73 1.75 0.34 0.00 0.47 0.00 0.00 55.06 58.35 1xy3 s HIS 116 Cb -0.46 -2.94 1.50 0.00 -0.13 0.00 0.00 32.58 30.56 1xy3 s HIS 116 CO 0.32 0.35 2.02 -1.00 -2.47 0.00 0.00 174.74 173.96 1xy3 h PRO 117 N 4.93 0.00 0.00 2.88 0.13 -1.92 -3.37 132.00 134.65 1xy3 h PRO 117 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1xy3 h PRO 117 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xy3 h PRO 117 CO 0.69 0.00 -0.12 -2.39 -0.23 0.00 0.00 178.00 175.95 1xy3 n HIS 118 N -2.98 0.00 -4.69 1.56 1.44 -1.26 -0.51 115.22 108.78 1xy3 n HIS 118 Ca 0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 1xy3 n HIS 118 Cb 0.25 0.07 -0.13 0.00 0.12 0.00 0.00 29.99 30.30 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 -0.25 4.24 0.18 4.39 0.01 -1.26 -5.04 113.70 115.98 1xy3 s SER 119 Ca 0.00 -0.25 0.06 0.00 1.31 0.00 0.00 55.95 57.07 1xy3 s SER 119 Cb 0.00 -1.56 -0.05 0.00 0.21 0.00 0.00 66.02 64.63 1xy3 s SER 119 CO 0.00 0.19 -0.11 -0.36 0.41 0.00 0.00 173.24 173.37 1xy3 s PHE 120 N 0.18 1.52 0.02 2.43 0.40 -1.26 -0.75 117.98 120.52 1xy3 s PHE 120 Ca -0.06 -0.68 0.03 0.00 -0.60 0.00 0.00 56.93 55.62 1xy3 s PHE 120 Cb -0.15 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.62 1xy3 s PHE 120 CO 0.04 0.21 -0.10 -1.50 0.70 0.00 0.00 175.22 174.57 1xy3 s ILE 121 N -3.16 0.80 -0.84 0.64 2.07 -0.12 -4.86 121.20 115.73 1xy3 s ILE 121 Ca 0.21 -0.78 -0.19 0.00 -1.41 0.00 0.00 60.65 58.47 1xy3 s ILE 121 Cb 0.01 -0.74 0.12 0.00 0.13 0.00 0.00 42.46 41.98 1xy3 s ILE 121 CO 0.04 -0.03 1.03 -0.60 -1.91 0.00 0.00 174.94 173.48 1xy3 s ARG 122 N -0.91 3.45 0.00 3.50 6.06 -1.26 -1.21 118.95 128.58 1xy3 s ARG 122 Ca -0.01 -1.59 0.00 0.00 -2.50 0.00 0.00 55.73 51.63 1xy3 s ARG 122 Cb -0.07 -4.69 0.00 0.00 0.06 0.00 0.00 34.95 30.25 1xy3 s ARG 122 CO 0.01 -1.73 0.48 -0.40 -2.50 0.00 0.00 175.30 171.16 1xy3 n ASP 123 N 6.57 0.00 -4.87 -2.12 5.75 -1.26 -4.91 116.55 115.71 1xy3 n ASP 123 Ca 0.15 0.51 -0.21 0.00 -0.01 0.00 0.00 54.79 55.24 1xy3 n ASP 123 Cb 0.48 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.39 1xy3 n ASP 123 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1xy3 s SER 124 N -1.89 5.35 -0.02 -1.12 1.04 -1.26 -4.99 113.70 110.80 1xy3 s SER 124 Ca 0.00 -0.49 0.12 0.00 0.48 0.00 0.00 55.95 56.07 1xy3 s SER 124 Cb 0.00 -0.95 0.39 0.00 0.10 0.00 0.00 66.02 65.56 1xy3 s SER 124 CO 0.00 -0.40 1.30 1.21 0.98 0.00 0.00 173.24 176.33 1xy3 n GLU 125 N -1.43 2.19 -2.23 4.02 4.07 -1.26 -4.67 120.64 121.33 1xy3 n GLU 125 Ca -0.01 -1.58 -0.36 0.00 -0.06 0.00 0.00 57.16 55.15 1xy3 n GLU 125 Cb 0.60 -1.43 0.00 0.00 -0.06 0.00 0.00 31.44 30.55 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 -1.52 3.42 0.25 5.31 2.12 -1.25 -4.77 118.70 122.25 1xy3 s GLU 126 Ca 0.29 1.69 0.06 0.00 0.36 0.00 0.00 54.97 57.37 1xy3 s GLU 126 Cb 0.16 -2.10 -0.05 0.00 0.26 0.00 0.00 34.13 32.39 1xy3 s GLU 126 CO 0.18 -0.81 -0.05 0.15 -0.54 0.00 0.00 175.26 174.18 1xy3 s LYS 127 N -3.13 1.44 -0.15 4.30 -0.14 0.73 -4.42 119.74 118.37 1xy3 s LYS 127 Ca 0.71 -1.72 0.00 0.00 -1.36 0.00 0.00 55.97 53.61 1xy3 s LYS 127 Cb -0.26 -0.97 0.02 0.00 -1.68 0.00 0.00 37.83 34.94 1xy3 s LYS 127 CO 0.30 0.01 -0.14 0.50 -0.76 0.00 0.00 175.35 175.26 1xy3 s ARG 128 N -3.76 2.32 0.40 1.68 3.52 -1.18 -2.25 118.95 119.68 1xy3 s ARG 128 Ca 0.28 -0.57 0.07 0.00 -0.13 0.00 0.00 55.73 55.38 1xy3 s ARG 128 Cb 0.04 -2.12 -0.08 0.00 -1.56 0.00 0.00 34.95 31.23 1xy3 s ARG 128 CO 0.10 -0.23 0.02 -0.80 -0.81 0.00 0.00 175.30 173.57 1xy3 s ASN 129 N 1.46 3.71 -0.06 -2.12 -0.87 -0.47 -0.29 114.94 116.31 1xy3 s ASN 129 Ca 0.05 -1.37 -0.15 0.00 -1.57 0.00 0.00 52.86 49.82 1xy3 s ASN 129 Cb -0.13 -0.36 0.03 0.00 -0.02 0.00 0.00 41.25 40.77 1xy3 s ASN 129 CO -0.10 -0.47 0.35 0.68 -2.57 0.00 0.00 177.10 174.98 1xy3 s VAL 130 N -2.78 0.03 -0.23 1.60 -7.23 -0.59 -2.41 120.40 108.79 1xy3 s VAL 130 Ca 0.35 -0.28 -0.01 0.00 -1.81 0.00 0.00 61.98 60.23 1xy3 s VAL 130 Cb 0.10 -0.60 0.07 0.00 0.56 0.00 0.00 36.38 36.51 1xy3 s VAL 130 CO 0.18 -0.15 0.02 -1.58 -0.31 0.00 0.00 175.10 173.25 1xy3 s GLN 131 N -0.76 1.02 -0.17 4.82 0.74 -0.27 -1.47 119.66 123.56 1xy3 s GLN 131 Ca -0.09 -0.78 -0.05 0.00 0.05 0.00 0.00 55.36 54.49 1xy3 s GLN 131 Cb -0.04 -2.28 -0.03 0.00 1.10 0.00 0.00 33.01 31.76 1xy3 s GLN 131 CO 0.03 -0.70 -0.01 0.08 -0.55 0.00 0.00 175.29 174.14 1xy3 s VAL 132 N 1.63 4.07 -0.29 1.34 1.01 0.07 -1.68 120.40 126.54 1xy3 s VAL 132 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1xy3 s VAL 132 Cb -0.18 -2.81 0.05 0.00 0.00 0.00 0.00 36.38 33.44 1xy3 s VAL 132 CO -0.11 0.47 -0.02 -1.81 0.00 0.00 0.00 175.10 173.62 1xy3 s ASP 133 N 0.57 4.78 -0.46 3.32 1.01 0.14 -0.44 116.67 125.60 1xy3 s ASP 133 Ca -0.01 -1.33 -0.12 0.00 0.71 0.00 0.00 52.55 51.81 1xy3 s ASP 133 Cb -0.14 -1.67 0.10 0.00 1.01 0.00 0.00 42.92 42.22 1xy3 s ASP 133 CO 0.02 -0.25 0.35 -0.69 0.21 0.00 0.00 175.17 174.81 1xy3 s VAL 134 N 1.21 4.60 -0.20 -1.27 1.01 -0.06 -1.01 120.40 124.69 1xy3 s VAL 134 Ca -0.06 -1.45 -0.07 0.00 0.00 0.00 0.00 61.98 60.41 1xy3 s VAL 134 Cb -0.20 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1xy3 s VAL 134 CO -0.02 -0.65 0.04 -0.69 0.00 0.00 0.00 175.10 173.78 1xy3 s VAL 135 N 1.48 4.43 -0.02 2.92 1.01 -1.03 -1.27 120.40 127.92 1xy3 s VAL 135 Ca 0.04 -0.15 -0.34 0.00 0.00 0.00 0.00 61.98 61.53 1xy3 s VAL 135 Cb -0.25 -3.01 -0.12 0.00 0.00 0.00 0.00 36.38 33.00 1xy3 s VAL 135 CO 0.02 0.43 1.82 1.21 0.00 0.00 0.00 175.10 178.59 1xy3 n GLU 136 N 3.97 2.23 -0.76 2.72 2.13 0.88 -1.32 120.64 130.48 1xy3 n GLU 136 Ca -0.17 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.47 1xy3 n GLU 136 Cb 0.52 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.58 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 4.20 1.35 0.00 8.31 0.00 -1.26 -4.83 105.19 112.96 1xy3 n GLY 137 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 2.12 0.00 1.61 5.02 -0.44 -5.12 118.16 119.35 1xy3 n LYS 138 Ca 0.00 -1.27 0.00 0.00 -2.02 0.00 0.00 58.31 55.02 1xy3 n LYS 138 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 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 -0.39 -0.74 3.04 0.72 0.00 -1.14 -4.87 105.19 101.81 1xy3 n GLY 139 Ca 0.00 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.46 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 1.37 -0.20 -0.61 1.01 0.08 -2.46 121.20 120.39 1xy3 s ILE 140 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 1xy3 s ILE 140 Cb 0.00 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1xy3 s ILE 140 CO 0.00 0.42 0.04 -1.81 0.00 0.00 0.00 174.94 173.59 1xy3 s ASP 141 N 0.96 5.22 -0.03 3.58 1.01 -0.18 -1.47 116.67 125.77 1xy3 s ASP 141 Ca -0.08 -0.09 0.07 0.00 0.71 0.00 0.00 52.55 53.16 1xy3 s ASP 141 Cb -0.15 -1.90 -0.02 0.00 1.01 0.00 0.00 42.92 41.86 1xy3 s ASP 141 CO -0.01 0.09 -0.25 -0.63 0.21 0.00 0.00 175.17 174.59 1xy3 s ILE 142 N 0.88 1.97 -0.20 0.77 1.01 -1.26 -0.68 121.20 123.69 1xy3 s ILE 142 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1xy3 s ILE 142 Cb -0.14 -1.65 0.05 0.00 0.01 0.00 0.00 42.46 40.73 1xy3 s ILE 142 CO 0.02 0.55 -0.06 -0.54 0.00 0.00 0.00 174.94 174.91 1xy3 s LYS 143 N -0.41 1.63 0.25 2.79 1.02 -0.68 -1.72 119.74 122.61 1xy3 s LYS 143 Ca 0.04 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.31 1xy3 s LYS 143 Cb -0.11 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 1xy3 s LYS 143 CO 0.01 -0.49 0.40 -1.12 -0.92 0.00 0.00 175.35 173.22 1xy3 s SER 144 N 1.50 6.33 -0.03 2.83 0.01 -0.61 -1.11 113.70 122.61 1xy3 s SER 144 Ca -0.02 0.22 -0.30 0.00 1.31 0.00 0.00 55.95 57.16 1xy3 s SER 144 Cb -0.17 -1.93 0.11 0.00 0.21 0.00 0.00 66.02 64.24 1xy3 s SER 144 CO -0.07 -0.10 1.07 -0.94 0.41 0.00 0.00 173.24 173.61 1xy3 s SER 145 N -3.76 -0.20 0.02 2.44 1.04 -1.01 -0.45 113.70 111.78 1xy3 s SER 145 Ca 0.36 -0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.74 1xy3 s SER 145 Cb -0.10 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 1xy3 s SER 145 CO 0.31 -0.50 -0.16 -1.48 0.98 0.00 0.00 173.24 172.39 1xy3 s LEU 146 N -2.57 2.12 0.16 2.42 0.05 -0.50 -1.36 118.68 119.00 1xy3 s LEU 146 Ca 0.09 -0.41 -0.15 0.00 0.05 0.00 0.00 54.13 53.72 1xy3 s LEU 146 Cb -0.00 -0.73 0.02 0.00 -2.05 0.00 0.00 46.19 43.43 1xy3 s LEU 146 CO -0.05 0.11 0.41 -0.94 -0.55 0.00 0.00 176.35 175.33 1xy3 s SER 147 N -0.88 -0.16 0.00 1.48 1.04 -0.95 -1.63 113.70 112.60 1xy3 s SER 147 Ca 0.04 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1xy3 s SER 147 Cb -0.07 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1xy3 s SER 147 CO 0.01 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1xy3 n GLY 148 N -0.25 0.52 3.55 7.32 0.00 -1.23 -0.19 105.19 114.90 1xy3 n GLY 148 Ca -0.12 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 4.13 -0.23 0.99 2.96 -1.25 -3.95 118.68 121.34 1xy3 s LEU 149 Ca 0.00 -0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 1xy3 s LEU 149 Cb 0.00 -3.06 -0.03 0.00 0.50 0.00 0.00 46.19 43.60 1xy3 s LEU 149 CO 0.00 -1.01 0.05 -0.89 -1.32 0.00 0.00 176.35 173.18 1xy3 s THR 150 N 3.57 4.27 0.27 3.68 2.01 -1.26 0.69 115.64 128.86 1xy3 s THR 150 Ca 0.33 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.17 1xy3 s THR 150 Cb -0.11 -2.97 -0.06 0.00 0.01 0.00 0.00 72.50 69.37 1xy3 s THR 150 CO 0.24 0.38 0.02 0.68 -0.69 0.00 0.00 174.62 175.25 1xy3 s VAL 151 N 1.28 1.12 -0.26 3.82 -7.23 -0.71 -5.02 120.40 113.40 1xy3 s VAL 151 Ca 0.05 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 57.99 1xy3 s VAL 151 Cb -0.15 -2.52 0.07 0.00 0.56 0.00 0.00 36.38 34.35 1xy3 s VAL 151 CO 0.03 -0.20 0.66 -0.22 -0.31 0.00 0.00 175.10 175.06 1xy3 s LEU 152 N -3.38 -0.69 -0.16 1.32 0.20 -1.26 -2.15 118.68 112.56 1xy3 s LEU 152 Ca 0.32 1.39 0.01 0.00 0.69 0.00 0.00 54.13 56.53 1xy3 s LEU 152 Cb 0.06 2.27 0.02 0.00 -0.43 0.00 0.00 46.19 48.12 1xy3 s LEU 152 CO 0.12 -0.23 -0.16 -1.59 -0.29 0.00 0.00 176.35 174.19 1xy3 s LYS 153 N 0.96 2.51 0.28 1.98 -2.85 -0.13 -5.00 119.74 117.50 1xy3 s LYS 153 Ca -0.05 -0.64 0.23 0.00 -1.00 0.00 0.00 55.97 54.51 1xy3 s LYS 153 Cb -0.05 -2.24 1.04 0.00 -2.06 0.00 0.00 37.83 34.51 1xy3 s LYS 153 CO -0.09 -0.22 1.69 -1.13 0.10 0.00 0.00 175.35 175.71 1xy3 n SER 154 N 4.70 0.64 0.00 0.03 3.41 -1.26 -1.84 113.62 119.29 1xy3 n SER 154 Ca -0.18 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1xy3 n SER 154 Cb 0.50 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 -2.24 0.00 -3.01 6.66 5.66 -1.25 -4.45 114.28 115.64 1xy3 n THR 155 Ca 0.01 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.82 1xy3 n THR 155 Cb 0.17 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 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 0.00 -4.12 -3.93 1.09 4.13 -1.26 -4.80 115.26 106.37 1xy3 n ASN 156 Ca 0.00 -0.18 -0.17 0.00 1.68 0.00 0.00 54.58 55.91 1xy3 n ASN 156 Cb 0.00 -3.42 -0.15 0.00 -1.54 0.00 0.00 39.78 34.67 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 -2.49 0.74 0.26 6.41 0.15 -1.26 -3.83 113.70 113.68 1xy3 s SER 157 Ca 0.25 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.81 1xy3 s SER 157 Cb -0.13 -0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 63.93 1xy3 s SER 157 CO 0.31 0.02 0.10 -1.10 1.20 0.00 0.00 173.24 173.77 1xy3 s GLN 158 N 0.28 1.41 -0.32 5.44 -0.21 -0.82 -0.53 119.66 124.92 1xy3 s GLN 158 Ca -0.03 -1.76 0.04 0.00 0.02 0.00 0.00 55.36 53.62 1xy3 s GLN 158 Cb -0.07 -0.26 0.19 0.00 1.00 0.00 0.00 33.01 33.88 1xy3 s GLN 158 CO -0.00 -0.30 0.66 0.12 -2.12 0.00 0.00 175.29 173.66 1xy3 s PHE 159 N -3.76 -1.64 0.31 0.91 5.36 -0.37 -3.96 117.98 114.84 1xy3 s PHE 159 Ca 0.38 0.78 0.01 0.00 -0.96 0.00 0.00 56.93 57.14 1xy3 s PHE 159 Cb 0.08 0.28 -0.02 0.00 -0.34 0.00 0.00 43.02 43.03 1xy3 s PHE 159 CO 0.14 -0.99 0.35 1.67 -1.46 0.00 0.00 175.22 174.92 1xy3 s TRP 160 N 2.60 1.30 -1.67 10.12 1.48 -1.26 -1.57 118.94 129.94 1xy3 s TRP 160 Ca 0.13 -1.41 0.00 0.00 -1.06 0.00 0.00 56.10 53.76 1xy3 s TRP 160 Cb -0.07 -0.38 0.00 0.00 -1.16 0.00 0.00 33.47 31.86 1xy3 s TRP 160 CO -0.21 -0.95 0.00 0.41 -4.06 0.00 0.00 176.95 172.14 1xy3 n GLY 161 N -0.53 1.59 3.93 3.67 0.00 -1.26 -5.00 105.19 107.58 1xy3 n GLY 161 Ca 0.03 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.56 2.93 0.36 1.61 -0.71 -1.26 -5.02 117.98 113.33 1xy3 s PHE 162 Ca 0.00 0.46 -0.28 0.00 -1.04 0.00 0.00 56.93 56.07 1xy3 s PHE 162 Cb 0.00 -3.20 -0.11 0.00 -1.21 0.00 0.00 43.02 38.50 1xy3 s PHE 162 CO 0.00 -1.41 1.47 -1.17 -1.34 0.00 0.00 175.22 172.76 1xy3 s LEU 163 N -5.26 4.33 -0.08 -1.99 0.20 -1.26 -5.02 118.68 109.61 1xy3 s LEU 163 Ca 0.60 3.00 -0.00 0.00 0.69 0.00 0.00 54.13 58.42 1xy3 s LEU 163 Cb -0.11 -3.66 0.02 0.00 -0.43 0.00 0.00 46.19 42.01 1xy3 s LEU 163 CO 0.45 -0.83 -0.05 -0.13 -0.29 0.00 0.00 176.35 175.50 1xy3 s ARG 164 N -1.95 1.11 0.00 1.98 0.52 -1.26 -4.97 118.95 114.37 1xy3 s ARG 164 Ca 0.53 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.61 1xy3 s ARG 164 Cb -0.46 -1.20 0.00 0.00 0.52 0.00 0.00 34.95 33.81 1xy3 s ARG 164 CO 0.61 -0.20 0.00 -0.40 0.02 0.00 0.00 175.30 175.33 1xy3 n ASP 165 N 4.66 0.00 0.00 0.23 5.68 -1.26 -5.01 116.55 120.85 1xy3 n ASP 165 Ca -0.15 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.24 1xy3 n ASP 165 Cb 0.50 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.05 1xy3 n ASP 165 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1xy3 n GLU 166 N 0.00 0.46 -0.02 0.11 0.00 -1.26 -2.32 120.64 117.61 1xy3 n GLU 166 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 57.16 57.28 1xy3 n GLU 166 Cb 0.00 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.01 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 -1.16 0.06 -3.66 -1.84 4.01 -1.26 -4.99 117.16 108.32 1xy3 n TYR 167 Ca 0.13 -0.05 -0.36 0.00 -0.16 0.00 0.00 57.90 57.46 1xy3 n TYR 167 Cb 0.12 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.09 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 -1.19 5.21 0.00 -0.72 2.01 -0.98 -4.93 115.64 115.03 1xy3 s THR 168 Ca 0.18 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1xy3 s THR 168 Cb 0.12 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1xy3 s THR 168 CO 0.18 0.47 0.00 0.35 -0.69 0.00 0.00 174.62 174.93 1xy3 n THR 169 N 1.48 0.00 -1.95 -0.82 -2.24 -1.26 -4.87 114.28 104.61 1xy3 n THR 169 Ca -0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1xy3 n THR 169 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1xy3 n THR 169 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xy3 s LEU 170 N -0.12 4.37 0.21 3.22 2.96 -1.26 -5.00 118.68 123.06 1xy3 s LEU 170 Ca 0.00 2.69 -0.17 0.00 -0.22 0.00 0.00 54.13 56.43 1xy3 s LEU 170 Cb 0.00 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 1xy3 s LEU 170 CO 0.00 -0.78 0.66 -0.54 -1.32 0.00 0.00 176.35 174.37 1xy3 s LYS 171 N 0.20 4.11 0.71 1.98 1.02 -1.26 -5.06 119.74 121.43 1xy3 s LYS 171 Ca 0.64 0.69 -0.12 0.00 0.02 0.00 0.00 55.97 57.20 1xy3 s LYS 171 Cb -0.43 -2.82 0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1xy3 s LYS 171 CO 0.39 0.38 1.09 -1.21 -0.92 0.00 0.00 175.35 175.08 1xy3 s GLU 172 N -2.15 2.65 -0.04 1.68 2.02 -1.26 -5.01 118.70 116.59 1xy3 s GLU 172 Ca 0.43 1.20 -0.14 0.00 0.02 0.00 0.00 54.97 56.48 1xy3 s GLU 172 Cb -0.15 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.16 1xy3 s GLU 172 CO 0.20 -1.34 0.31 -0.08 0.02 0.00 0.00 175.26 174.37 1xy3 s THR 173 N -2.71 0.05 -1.53 3.63 -1.32 -0.61 -5.00 115.64 108.15 1xy3 s THR 173 Ca 0.63 -0.39 0.12 0.00 -1.21 0.00 0.00 61.69 60.84 1xy3 s THR 173 Cb -0.17 -0.59 0.10 0.00 -1.51 0.00 0.00 72.50 70.33 1xy3 s THR 173 CO 0.49 -0.21 0.89 0.79 -2.21 0.00 0.00 174.62 174.38 1xy3 n TRP 174 N 1.59 0.01 -3.66 9.09 8.01 -1.26 -1.23 117.44 129.98 1xy3 n TRP 174 Ca -0.20 -0.01 -0.06 0.00 -1.31 0.00 0.00 57.50 55.92 1xy3 n TRP 174 Cb 0.56 -0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.78 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 -1.02 -0.64 0.32 -0.99 2.15 -1.22 -4.52 116.67 110.74 1xy3 s ASP 175 Ca 0.14 1.21 -0.14 0.00 0.43 0.00 0.00 52.55 54.20 1xy3 s ASP 175 Cb 0.10 1.53 0.02 0.00 -0.30 0.00 0.00 42.92 44.28 1xy3 s ASP 175 CO 0.15 -0.22 0.64 0.00 -0.17 0.00 0.00 175.17 175.57 1xy3 s ARG 176 N 2.37 1.89 -0.11 4.34 1.70 0.31 -4.97 118.95 124.48 1xy3 s ARG 176 Ca -0.05 -1.33 -0.18 0.00 -0.47 0.00 0.00 55.73 53.70 1xy3 s ARG 176 Cb -0.10 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1xy3 s ARG 176 CO -0.15 -0.84 0.49 0.42 -1.08 0.00 0.00 175.30 174.14 1xy3 s ILE 177 N -3.30 5.16 -0.26 4.99 1.01 -1.26 -3.97 121.20 123.57 1xy3 s ILE 177 Ca 0.19 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1xy3 s ILE 177 Cb -0.03 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.65 1xy3 s ILE 177 CO 0.11 0.33 -0.08 -0.22 0.00 0.00 0.00 174.94 175.09 1xy3 s LEU 178 N 0.54 3.39 -0.05 2.97 2.96 -0.77 -4.80 118.68 122.93 1xy3 s LEU 178 Ca 0.27 -1.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.03 1xy3 s LEU 178 Cb -0.15 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.93 1xy3 s LEU 178 CO 0.11 -0.18 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.31 1xy3 s SER 179 N 1.21 1.50 0.13 3.68 0.15 -1.26 -0.95 113.70 118.16 1xy3 s SER 179 Ca -0.05 -0.24 -0.15 0.00 0.70 0.00 0.00 55.95 56.21 1xy3 s SER 179 Cb -0.19 -0.57 0.03 0.00 -1.71 0.00 0.00 66.02 63.59 1xy3 s SER 179 CO -0.05 0.05 0.39 0.28 1.20 0.00 0.00 173.24 175.11 1xy3 s THR 180 N 0.46 0.07 -0.15 6.45 -1.32 -0.91 -0.45 115.64 119.79 1xy3 s THR 180 Ca -0.09 -0.69 -0.07 0.00 -1.21 0.00 0.00 61.69 59.63 1xy3 s THR 180 Cb -0.13 -1.26 -0.04 0.00 -1.51 0.00 0.00 72.50 69.57 1xy3 s THR 180 CO 0.02 -0.32 0.11 -1.81 -2.21 0.00 0.00 174.62 170.41 1xy3 s ASP 181 N -2.82 6.08 -0.21 8.08 1.01 -1.24 -1.75 116.67 125.83 1xy3 s ASP 181 Ca 0.04 0.31 -0.07 0.00 0.71 0.00 0.00 52.55 53.54 1xy3 s ASP 181 Cb 0.02 -1.98 -0.04 0.00 1.01 0.00 0.00 42.92 41.93 1xy3 s ASP 181 CO -0.10 0.31 0.06 -0.69 0.21 0.00 0.00 175.17 174.96 1xy3 s VAL 182 N -0.45 4.53 -0.33 -1.27 1.01 0.22 -3.67 120.40 120.44 1xy3 s VAL 182 Ca 0.11 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1xy3 s VAL 182 Cb -0.12 -3.07 0.10 0.00 0.00 0.00 0.00 36.38 33.29 1xy3 s VAL 182 CO 0.02 0.41 0.04 -0.62 0.00 0.00 0.00 175.10 174.95 1xy3 s ASP 183 N 0.85 4.65 -0.14 3.32 -1.08 -1.07 -3.51 116.67 119.69 1xy3 s ASP 183 Ca 0.03 -2.03 -0.01 0.00 -0.52 0.00 0.00 52.55 50.03 1xy3 s ASP 183 Cb -0.14 -1.54 -0.01 0.00 -1.46 0.00 0.00 42.92 39.77 1xy3 s ASP 183 CO 0.02 -0.37 -0.12 0.00 0.52 0.00 0.00 175.17 175.23 1xy3 s ALA 184 N 1.00 2.65 -0.09 3.66 0.00 -0.65 -0.86 121.76 127.47 1xy3 s ALA 184 Ca 0.09 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1xy3 s ALA 184 Cb -0.19 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.66 1xy3 s ALA 184 CO -0.10 0.15 -0.14 0.99 0.00 0.00 0.00 175.76 176.66 1xy3 s THR 185 N 0.51 1.39 -0.21 0.00 2.01 0.85 -1.41 115.64 118.79 1xy3 s THR 185 Ca -0.08 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1xy3 s THR 185 Cb -0.16 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.11 1xy3 s THR 185 CO 0.04 0.42 -0.14 -1.66 -0.69 0.00 0.00 174.62 172.58 1xy3 s TRP 186 N 0.86 2.91 -0.24 4.92 -2.14 0.41 0.44 118.94 126.10 1xy3 s TRP 186 Ca -0.10 -1.60 -0.19 0.00 2.66 0.00 0.00 56.10 56.87 1xy3 s TRP 186 Cb -0.15 -1.97 -0.03 0.00 -3.10 0.00 0.00 33.47 28.22 1xy3 s TRP 186 CO 0.01 -0.76 0.56 -1.14 -2.66 0.00 0.00 176.95 172.95 1xy3 s GLN 187 N 1.30 4.11 0.64 3.25 0.74 -0.62 -1.58 119.66 127.51 1xy3 s GLN 187 Ca 0.03 0.43 -0.11 0.00 0.05 0.00 0.00 55.36 55.76 1xy3 s GLN 187 Cb -0.15 -3.63 -0.03 0.00 1.10 0.00 0.00 33.01 30.31 1xy3 s GLN 187 CO -0.09 -0.33 1.04 -1.58 -0.55 0.00 0.00 175.29 173.78 1xy3 s TRP 188 N 2.22 3.49 0.62 1.67 0.52 -0.70 -0.79 118.94 125.96 1xy3 s TRP 188 Ca 0.24 1.33 -0.17 0.00 0.02 0.00 0.00 56.10 57.52 1xy3 s TRP 188 Cb -0.16 -2.77 -0.02 0.00 -1.15 0.00 0.00 33.47 29.38 1xy3 s TRP 188 CO 0.09 -0.83 1.13 0.21 0.02 0.00 0.00 176.95 177.57 1xy3 s LYS 189 N -5.12 2.98 0.27 4.98 2.20 -0.28 -4.59 119.74 120.18 1xy3 s LYS 189 Ca 0.56 1.52 -0.30 0.00 -0.36 0.00 0.00 55.97 57.39 1xy3 s LYS 189 Cb -0.12 -1.96 -0.12 0.00 -1.51 0.00 0.00 37.83 34.12 1xy3 s LYS 189 CO 0.54 -1.13 1.58 -1.71 -0.36 0.00 0.00 175.35 174.27 1xy3 n ASN 190 N -1.97 3.69 -4.88 1.43 2.85 -1.26 -4.78 115.26 110.34 1xy3 n ASN 190 Ca 0.11 1.14 -0.36 0.00 -0.11 0.00 0.00 54.58 55.36 1xy3 n ASN 190 Cb 0.51 -1.56 -0.06 0.00 1.24 0.00 0.00 39.78 39.91 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 0.13 3.57 0.37 1.20 0.08 -0.54 -4.94 117.98 117.84 1xy3 s PHE 191 Ca 0.66 0.45 0.04 0.00 0.12 0.00 0.00 56.93 58.21 1xy3 s PHE 191 Cb -0.52 -1.89 0.71 0.00 -0.57 0.00 0.00 43.02 40.74 1xy3 s PHE 191 CO 0.47 0.70 2.01 0.66 -0.10 0.00 0.00 175.22 178.95 1xy3 h SER 192 N 4.54 0.60 0.00 1.36 4.64 -1.93 0.27 113.55 123.03 1xy3 h SER 192 Ca -0.53 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1xy3 h SER 192 Cb 1.21 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1xy3 h SER 192 CO 0.62 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.66 1xy3 n GLY 193 N -1.36 -0.91 0.27 -0.77 0.00 -1.26 -4.32 105.19 96.84 1xy3 n GLY 193 Ca 0.04 -1.04 0.05 0.00 0.00 0.00 0.00 46.02 45.07 1xy3 n GLY 193 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xy3 h LEU 194 N 0.00 -0.35 -0.75 0.99 6.46 -1.92 -0.23 115.31 119.50 1xy3 h LEU 194 Ca 0.00 0.19 0.11 0.00 -0.12 0.00 0.00 57.88 58.06 1xy3 h LEU 194 Cb 0.00 0.34 -0.08 0.00 -0.73 0.00 0.00 40.66 40.19 1xy3 h LEU 194 CO 0.00 -0.18 0.36 -0.61 -0.62 0.00 0.00 178.44 177.40 1xy3 h GLN 195 N 0.10 0.57 0.06 1.25 5.75 -1.99 -0.02 115.11 120.82 1xy3 h GLN 195 Ca 0.40 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.87 1xy3 h GLN 195 Cb 0.70 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1xy3 h GLN 195 CO -0.66 0.38 -0.03 1.49 -2.65 0.00 0.00 178.83 177.36 1xy3 h GLU 196 N 0.59 -0.08 -0.86 1.69 4.81 -1.44 -2.19 114.58 117.10 1xy3 h GLU 196 Ca 0.38 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.75 1xy3 h GLU 196 Cb 0.46 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.77 1xy3 h GLU 196 CO -0.31 0.01 0.46 0.28 -0.73 0.00 0.00 179.01 178.72 1xy3 h VAL 197 N -0.14 0.78 -1.01 0.32 2.07 -1.00 0.12 116.25 117.39 1xy3 h VAL 197 Ca -0.01 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.36 1xy3 h VAL 197 Cb 0.12 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 29.85 1xy3 h VAL 197 CO 0.01 0.12 0.65 0.03 0.02 0.00 0.00 177.57 178.40 1xy3 h ARG 198 N 0.68 1.10 0.00 1.57 3.08 -0.55 -1.38 114.38 118.89 1xy3 h ARG 198 Ca 0.46 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.40 1xy3 h ARG 198 Cb 0.59 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1xy3 h ARG 198 CO -0.33 0.73 -0.18 0.66 -1.07 0.00 0.00 179.97 179.77 1xy3 h SER 199 N 1.13 0.00 -0.11 7.04 4.64 -0.18 -3.10 113.55 122.97 1xy3 h SER 199 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1xy3 h SER 199 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1xy3 h SER 199 CO -0.20 0.18 0.00 1.41 -0.87 0.00 0.00 176.83 177.35 1xy3 n HIS 200 N -3.32 0.13 -0.31 4.77 8.25 -0.55 -4.71 115.22 119.47 1xy3 n HIS 200 Ca 0.00 -0.06 0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1xy3 n HIS 200 Cb 0.41 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.59 1xy3 n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1xy3 n VAL 201 N 0.92 -0.39 0.00 1.59 0.31 -1.01 -1.13 118.33 118.63 1xy3 n VAL 201 Ca 0.17 1.90 0.21 0.00 -0.01 0.00 0.00 64.34 66.61 1xy3 n VAL 201 Cb 0.50 -2.57 0.71 0.00 -0.91 0.00 0.00 33.84 31.57 1xy3 n VAL 201 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1xy3 h PRO 202 N 0.00 0.00 0.00 5.55 0.11 -1.88 -1.89 132.00 133.89 1xy3 h PRO 202 Ca 0.33 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 1xy3 h PRO 202 Cb 0.54 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 1xy3 h PRO 202 CO -0.83 0.00 -0.03 0.87 -0.21 0.00 0.00 178.00 177.80 1xy3 h LYS 203 N 0.00 0.00 0.35 1.05 1.57 -1.50 -3.28 116.57 114.75 1xy3 h LYS 203 Ca 0.25 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1xy3 h LYS 203 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1xy3 h LYS 203 CO -0.00 0.03 -0.17 0.74 -0.57 0.00 0.00 179.45 179.48 1xy3 h PHE 204 N 0.00 -0.43 -0.33 -1.35 0.04 -1.46 -1.98 116.94 111.42 1xy3 h PHE 204 Ca -0.00 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 1xy3 h PHE 204 Cb 0.70 0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 1xy3 h PHE 204 CO 0.00 -0.10 -0.14 -0.44 -0.60 0.00 0.00 178.31 177.03 1xy3 h ASP 205 N -0.85 0.58 0.02 2.17 3.32 -1.73 -2.69 116.42 117.24 1xy3 h ASP 205 Ca -0.05 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1xy3 h ASP 205 Cb 0.53 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1xy3 h ASP 205 CO 0.08 0.75 -0.01 0.00 -1.72 0.00 0.00 179.24 178.34 1xy3 h ALA 206 N 1.31 -0.02 -0.73 3.45 0.00 -1.61 -2.16 119.26 119.49 1xy3 h ALA 206 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xy3 h ALA 206 Cb 0.56 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1xy3 h ALA 206 CO 0.04 -0.45 0.42 1.15 0.00 0.00 0.00 179.25 180.40 1xy3 h THR 207 N -0.14 1.21 -0.25 0.00 2.02 -1.29 -1.29 112.91 113.17 1xy3 h THR 207 Ca -0.00 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.71 1xy3 h THR 207 Cb 0.13 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1xy3 h THR 207 CO 0.00 0.23 0.07 -0.25 0.37 0.00 0.00 175.52 175.94 1xy3 h TRP 208 N 1.00 0.12 -0.91 3.16 7.01 -1.36 0.32 115.95 125.29 1xy3 h TRP 208 Ca 0.26 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.31 1xy3 h TRP 208 Cb -0.00 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 26.99 1xy3 h TRP 208 CO -0.01 0.05 0.60 0.00 -2.79 0.00 0.00 178.44 176.29 1xy3 h ALA 209 N 1.17 1.43 -0.10 2.65 0.00 -1.06 -0.98 119.26 122.38 1xy3 h ALA 209 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xy3 h ALA 209 Cb 0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1xy3 h ALA 209 CO -0.13 0.47 -0.01 1.15 0.00 0.00 0.00 179.25 180.73 1xy3 h THR 210 N 1.13 1.27 -0.95 0.00 2.02 -0.06 -0.18 112.91 116.14 1xy3 h THR 210 Ca 0.37 -0.85 0.05 0.00 0.77 0.00 0.00 66.41 66.74 1xy3 h THR 210 Cb 0.04 1.64 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 1xy3 h THR 210 CO -0.12 0.24 0.61 0.00 0.37 0.00 0.00 175.52 176.63 1xy3 h ALA 211 N 0.72 1.28 -0.26 6.16 0.00 0.07 0.68 119.26 127.91 1xy3 h ALA 211 Ca 0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1xy3 h ALA 211 Cb 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xy3 h ALA 211 CO 0.01 0.44 -0.56 -0.09 0.00 0.00 0.00 179.25 179.05 1xy3 h ARG 212 N 1.15 0.80 -0.03 0.00 2.43 -1.11 -1.99 114.38 115.63 1xy3 h ARG 212 Ca 0.39 -0.51 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1xy3 h ARG 212 Cb 0.07 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1xy3 h ARG 212 CO -0.14 1.14 -0.01 1.49 -1.51 0.00 0.00 179.97 180.93 1xy3 h GLU 213 N 0.61 0.07 -0.80 0.20 4.81 -0.51 -2.14 114.58 116.82 1xy3 h GLU 213 Ca 0.01 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1xy3 h GLU 213 Cb 1.15 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 1xy3 h GLU 213 CO 0.12 0.45 0.50 0.28 -0.73 0.00 0.00 179.01 179.64 1xy3 h VAL 214 N -0.32 1.11 -0.59 0.32 2.07 -0.94 -0.67 116.25 117.22 1xy3 h VAL 214 Ca 0.01 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1xy3 h VAL 214 Cb 0.43 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1xy3 h VAL 214 CO 0.00 0.18 0.34 0.74 0.02 0.00 0.00 177.57 178.86 1xy3 h THR 215 N 0.97 1.18 -0.10 2.57 2.02 -1.30 -1.05 112.91 117.21 1xy3 h THR 215 Ca 0.32 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 1xy3 h THR 215 Cb 0.04 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1xy3 h THR 215 CO -0.12 0.19 -0.16 -0.07 0.37 0.00 0.00 175.52 175.72 1xy3 h LEU 216 N 0.79 0.31 -0.47 2.58 4.07 -1.01 -2.92 115.31 118.66 1xy3 h LEU 216 Ca 0.21 -0.54 -0.05 0.00 0.08 0.00 0.00 57.88 57.58 1xy3 h LEU 216 Cb 0.00 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1xy3 h LEU 216 CO -0.04 0.79 0.11 0.50 -1.08 0.00 0.00 178.44 178.72 1xy3 h LYS 217 N -0.17 0.75 -0.09 1.13 3.64 -1.09 -2.17 116.57 118.58 1xy3 h LYS 217 Ca 0.01 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1xy3 h LYS 217 Cb 0.73 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1xy3 h LYS 217 CO 0.04 0.74 0.03 1.15 -2.27 0.00 0.00 179.45 179.14 1xy3 h THR 218 N 0.63 1.18 -1.00 1.00 2.02 -1.30 -0.84 112.91 114.62 1xy3 h THR 218 Ca 0.15 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.80 1xy3 h THR 218 Cb 0.33 1.39 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 1xy3 h THR 218 CO 0.00 0.16 0.65 0.15 0.37 0.00 0.00 175.52 176.86 1xy3 h PHE 219 N -0.05 1.23 0.00 3.16 3.57 -1.51 0.14 116.94 123.48 1xy3 h PHE 219 Ca 0.03 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.36 1xy3 h PHE 219 Cb 0.23 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1xy3 h PHE 219 CO 0.00 0.72 -0.87 0.00 -2.23 0.00 0.00 178.31 175.93 1xy3 h ALA 220 N 1.40 0.53 0.00 2.41 0.00 -1.30 -3.35 119.26 118.95 1xy3 h ALA 220 Ca 0.39 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1xy3 h ALA 220 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xy3 h ALA 220 CO -0.11 0.92 -1.64 0.39 0.00 0.00 0.00 179.25 178.81 1xy3 n GLU 221 N -3.65 0.64 -2.47 0.00 1.02 -0.33 -4.93 120.64 110.91 1xy3 n GLU 221 Ca -0.03 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.68 1xy3 n GLU 221 Cb 0.80 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 30.53 1xy3 n GLU 221 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1xy3 s ASP 222 N -5.11 7.16 -0.67 1.62 2.15 0.47 -4.98 116.67 117.30 1xy3 s ASP 222 Ca -0.05 2.01 -0.04 0.00 0.43 0.00 0.00 52.55 54.89 1xy3 s ASP 222 Cb 0.11 -2.59 0.17 0.00 -0.30 0.00 0.00 42.92 40.32 1xy3 s ASP 222 CO 0.85 -0.38 0.51 0.21 -0.17 0.00 0.00 175.17 176.19 1xy3 s ASN 223 N 0.70 5.50 0.11 -0.34 3.84 -1.26 -4.88 114.94 118.61 1xy3 s ASN 223 Ca 0.55 -2.89 0.09 0.00 0.21 0.00 0.00 52.86 50.82 1xy3 s ASN 223 Cb -0.29 -1.91 -0.04 0.00 -0.55 0.00 0.00 41.25 38.47 1xy3 s ASN 223 CO 0.31 -0.39 -0.23 -0.55 -2.79 0.00 0.00 177.10 173.45 1xy3 s SER 224 N 0.84 2.80 -0.10 -4.21 0.15 -1.25 -4.95 113.70 106.97 1xy3 s SER 224 Ca 0.18 -0.70 0.13 0.00 0.70 0.00 0.00 55.95 56.26 1xy3 s SER 224 Cb -0.18 -0.17 0.56 0.00 -1.71 0.00 0.00 66.02 64.52 1xy3 s SER 224 CO -0.05 0.10 1.42 0.00 1.20 0.00 0.00 173.24 175.92 1xy3 n ALA 225 N 1.05 3.08 -3.53 5.45 0.00 -1.25 -1.94 120.51 123.37 1xy3 n ALA 225 Ca -0.19 -1.24 -0.13 0.00 0.00 0.00 0.00 53.44 51.88 1xy3 n ALA 225 Cb 0.53 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.75 -0.10 -0.12 0.00 0.15 -1.26 -4.51 113.70 107.10 1xy3 s SER 226 Ca 0.39 0.27 0.03 0.00 0.70 0.00 0.00 55.95 57.34 1xy3 s SER 226 Cb 0.26 0.19 -0.24 0.00 -1.71 0.00 0.00 66.02 64.52 1xy3 s SER 226 CO 0.17 -0.12 0.36 0.52 1.20 0.00 0.00 173.24 175.38 1xy3 n VAL 227 N 3.86 1.65 0.26 4.45 0.31 -1.26 -2.84 118.33 124.76 1xy3 n VAL 227 Ca -0.22 -0.71 0.10 0.00 -0.01 0.00 0.00 64.34 63.50 1xy3 n VAL 227 Cb 0.54 -1.34 0.69 0.00 -0.91 0.00 0.00 33.84 32.81 1xy3 n VAL 227 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1xy3 h GLN 228 N 0.03 0.00 0.00 5.55 7.50 -1.98 -1.38 115.11 124.84 1xy3 h GLN 228 Ca -0.41 0.00 -0.26 0.00 0.50 0.00 0.00 58.65 58.48 1xy3 h GLN 228 Cb 2.03 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 29.52 1xy3 h GLN 228 CO 0.06 0.10 -1.54 0.00 -1.50 0.00 0.00 178.83 175.95 1xy3 h ALA 229 N 1.90 0.69 -0.27 3.87 0.00 -1.97 -3.15 119.26 120.33 1xy3 h ALA 229 Ca -0.00 -1.30 -0.12 0.00 0.00 0.00 0.00 54.91 53.49 1xy3 h ALA 229 Cb 0.23 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xy3 h ALA 229 CO 0.01 1.45 -0.32 1.15 0.00 0.00 0.00 179.25 181.54 1xy3 h THR 230 N 0.00 1.31 -0.11 0.00 2.02 -1.21 -2.81 112.91 112.11 1xy3 h THR 230 Ca -0.22 -1.50 -0.15 0.00 0.77 0.00 0.00 66.41 65.31 1xy3 h THR 230 Cb 1.92 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.97 1xy3 h THR 230 CO 0.08 0.48 -0.57 0.00 0.37 0.00 0.00 175.52 175.88 1xy3 h MET 231 N 0.42 0.34 -0.89 6.66 -0.00 -1.43 -2.80 114.93 117.22 1xy3 h MET 231 Ca 0.04 -0.22 0.01 0.00 -0.00 0.00 0.00 59.70 59.52 1xy3 h MET 231 Cb 0.89 0.03 -0.04 0.00 -0.00 0.00 0.00 31.60 32.48 1xy3 h MET 231 CO 0.08 0.82 0.58 -0.92 -0.00 0.00 0.00 176.91 177.47 1xy3 h TYR 232 N 0.26 1.13 -0.30 -0.10 3.20 -1.52 -0.29 116.97 119.35 1xy3 h TYR 232 Ca 0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1xy3 h TYR 232 Cb 1.07 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1xy3 h TYR 232 CO 0.03 0.72 -0.19 0.87 -1.64 0.00 0.00 178.16 177.95 1xy3 h LYS 233 N 1.22 0.55 -0.02 1.82 1.57 -1.32 -1.69 116.57 118.70 1xy3 h LYS 233 Ca 0.33 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1xy3 h LYS 233 Cb -0.12 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1xy3 h LYS 233 CO -0.07 0.71 0.01 0.52 -0.57 0.00 0.00 179.45 180.05 1xy3 h MET 234 N 0.49 0.03 -0.14 3.15 2.86 -0.95 -2.72 114.93 117.64 1xy3 h MET 234 Ca 0.08 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1xy3 h MET 234 Cb 0.61 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 1xy3 h MET 234 CO 0.04 0.18 -0.03 0.00 1.06 0.00 0.00 176.91 178.17 1xy3 h ALA 235 N 0.84 0.10 -0.54 6.32 0.00 -0.89 -2.55 119.26 122.54 1xy3 h ALA 235 Ca 0.01 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1xy3 h ALA 235 Cb 0.17 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1xy3 h ALA 235 CO -0.00 -0.47 0.01 0.93 0.00 0.00 0.00 179.25 179.71 1xy3 h GLU 236 N 0.01 0.12 -0.59 0.00 5.08 -1.25 -0.76 114.58 117.19 1xy3 h GLU 236 Ca 0.07 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1xy3 h GLU 236 Cb 0.10 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1xy3 h GLU 236 CO -0.14 0.08 0.27 1.96 -1.00 0.00 0.00 179.01 180.18 1xy3 h GLN 237 N 0.12 0.85 0.49 2.33 4.20 -1.28 -1.23 115.11 120.60 1xy3 h GLN 237 Ca 0.27 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1xy3 h GLN 237 Cb 0.42 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1xy3 h GLN 237 CO -0.45 0.70 -0.24 0.82 -0.67 0.00 0.00 178.83 178.99 1xy3 h ILE 238 N 0.80 0.52 -1.00 2.54 2.04 -0.98 -1.06 117.51 120.36 1xy3 h ILE 238 Ca 0.20 -0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.22 1xy3 h ILE 238 Cb 0.14 0.52 -0.10 0.00 -0.74 0.00 0.00 36.82 36.64 1xy3 h ILE 238 CO -0.02 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.68 1xy3 h LEU 239 N -0.66 0.85 -0.76 1.44 3.38 -1.06 -1.10 115.31 117.39 1xy3 h LEU 239 Ca -0.07 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1xy3 h LEU 239 Cb 0.51 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1xy3 h LEU 239 CO 0.11 0.37 -0.19 0.00 0.09 0.00 0.00 178.44 178.82 1xy3 h ALA 240 N 1.60 0.94 0.00 1.53 0.00 -0.83 -3.20 119.26 119.30 1xy3 h ALA 240 Ca 0.54 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xy3 h ALA 240 Cb 0.71 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xy3 h ALA 240 CO -0.33 0.61 -0.15 0.00 0.00 0.00 0.00 179.25 179.39 1xy3 h ARG 241 N 0.65 0.00 -3.41 0.00 3.08 0.05 -3.43 114.38 111.33 1xy3 h ARG 241 Ca 0.10 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.62 1xy3 h ARG 241 Cb 0.68 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.33 1xy3 h ARG 241 CO 0.05 0.00 -0.76 -1.14 -1.07 0.00 0.00 179.97 177.05 1xy3 s GLN 242 N -3.20 0.55 0.42 0.04 2.00 -0.85 -5.02 119.66 113.61 1xy3 s GLN 242 Ca 0.07 -0.52 0.18 0.00 -2.00 0.00 0.00 55.36 53.09 1xy3 s GLN 242 Cb 0.08 -1.95 0.93 0.00 0.80 0.00 0.00 33.01 32.87 1xy3 s GLN 242 CO 0.67 -0.75 1.89 0.37 -0.50 0.00 0.00 175.29 176.96 1xy3 h GLN 243 N 8.25 0.00 0.00 1.67 5.75 -1.85 -2.96 115.11 125.98 1xy3 h GLN 243 Ca -0.16 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1xy3 h GLN 243 Cb 1.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.64 1xy3 h GLN 243 CO 0.37 0.29 0.00 1.28 -2.65 0.00 0.00 178.83 178.11 1xy3 n LEU 244 N -3.89 0.51 -4.72 -2.39 7.99 -1.26 -4.70 117.00 108.54 1xy3 n LEU 244 Ca -0.02 0.60 -0.40 0.00 -0.01 0.00 0.00 56.01 56.18 1xy3 n LEU 244 Cb 0.37 -0.50 -0.04 0.00 -0.11 0.00 0.00 43.42 43.13 1xy3 n LEU 244 CO 0.36 -0.38 0.48 -0.63 -1.51 0.00 0.00 177.39 175.71 1xy3 s ILE 245 N -3.19 4.94 -0.16 -0.08 -1.09 -1.12 -1.13 121.20 119.37 1xy3 s ILE 245 Ca 0.07 1.64 -0.10 0.00 -2.23 0.00 0.00 60.65 60.02 1xy3 s ILE 245 Cb 0.11 -4.13 -0.23 0.00 -1.58 0.00 0.00 42.46 36.63 1xy3 s ILE 245 CO 0.42 0.25 0.26 -0.62 -1.23 0.00 0.00 174.94 174.02 1xy3 n GLU 246 N 3.61 0.70 -3.93 2.79 1.02 0.03 -4.90 120.64 119.96 1xy3 n GLU 246 Ca 0.00 0.34 -0.08 0.00 -0.02 0.00 0.00 57.16 57.40 1xy3 n GLU 246 Cb 0.51 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 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 -2.50 0.17 0.01 2.62 -4.23 -1.21 -3.76 115.64 106.73 1xy3 s THR 247 Ca -0.25 -1.38 0.06 0.00 -1.18 0.00 0.00 61.69 58.94 1xy3 s THR 247 Cb 0.07 -1.38 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 1xy3 s THR 247 CO 0.70 -0.76 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.15 1xy3 s VAL 248 N -3.85 1.48 -0.07 2.29 1.01 -0.61 -1.58 120.40 119.06 1xy3 s VAL 248 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1xy3 s VAL 248 Cb 0.06 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1xy3 s VAL 248 CO -0.11 0.28 -0.05 -0.70 0.00 0.00 0.00 175.10 174.53 1xy3 s GLU 249 N -0.80 1.01 0.01 2.72 2.12 0.17 -1.02 118.70 122.91 1xy3 s GLU 249 Ca 0.06 -0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.34 1xy3 s GLU 249 Cb -0.08 -1.11 -0.03 0.00 0.26 0.00 0.00 34.13 33.17 1xy3 s GLU 249 CO 0.00 -0.18 -0.15 0.71 -0.54 0.00 0.00 175.26 175.10 1xy3 s TYR 250 N 1.40 2.66 -0.28 5.30 2.02 -0.19 -0.10 117.35 128.16 1xy3 s TYR 250 Ca -0.03 -0.19 -0.03 0.00 -0.37 0.00 0.00 57.07 56.45 1xy3 s TYR 250 Cb -0.13 -1.54 0.10 0.00 -0.40 0.00 0.00 41.96 39.98 1xy3 s TYR 250 CO -0.03 0.25 0.11 0.45 -1.57 0.00 0.00 175.55 174.76 1xy3 s SER 251 N -1.22 3.59 -0.23 2.29 0.15 -0.04 -1.64 113.70 116.61 1xy3 s SER 251 Ca 0.14 -1.33 -0.05 0.00 0.70 0.00 0.00 55.95 55.41 1xy3 s SER 251 Cb -0.11 -0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 63.66 1xy3 s SER 251 CO 0.04 -0.42 -0.01 -0.76 1.20 0.00 0.00 173.24 173.29 1xy3 s LEU 252 N 1.93 3.06 -0.53 3.45 1.43 -0.72 -2.59 118.68 124.72 1xy3 s LEU 252 Ca 0.08 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 1xy3 s LEU 252 Cb -0.16 -1.79 0.12 0.00 0.03 0.00 0.00 46.19 44.39 1xy3 s LEU 252 CO -0.30 -0.02 0.47 -2.16 0.23 0.00 0.00 176.35 174.58 1xy3 s PRO 253 N 1.46 2.93 0.17 1.29 0.04 -1.24 -0.95 135.00 138.71 1xy3 s PRO 253 Ca 0.05 -1.68 -0.33 0.00 0.04 0.00 0.00 61.00 59.08 1xy3 s PRO 253 Cb -0.14 -4.24 -0.14 0.00 0.04 0.00 0.00 34.50 30.01 1xy3 s PRO 253 CO -0.01 -1.28 1.45 -1.71 0.04 0.00 0.00 177.00 175.49 1xy3 n ASN 254 N 5.21 2.60 -4.13 6.66 2.85 0.16 -3.70 115.26 124.91 1xy3 n ASN 254 Ca -0.13 1.11 -0.35 0.00 -0.11 0.00 0.00 54.58 55.10 1xy3 n ASN 254 Cb 0.40 -1.37 -0.13 0.00 1.24 0.00 0.00 39.78 39.93 1xy3 n ASN 254 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1xy3 s LYS 255 N 0.34 2.09 0.22 1.20 1.02 0.40 -3.26 119.74 121.75 1xy3 s LYS 255 Ca 0.76 -1.65 -0.30 0.00 0.02 0.00 0.00 55.97 54.80 1xy3 s LYS 255 Cb -0.73 -3.43 -0.09 0.00 -0.52 0.00 0.00 37.83 33.06 1xy3 s LYS 255 CO 0.44 -0.92 1.24 -1.01 -0.92 0.00 0.00 175.35 174.19 1xy3 s HIS 256 N 1.16 3.33 -0.34 3.18 3.76 -1.26 -4.23 115.29 120.88 1xy3 s HIS 256 Ca 0.04 1.37 0.04 0.00 -0.15 0.00 0.00 55.06 56.36 1xy3 s HIS 256 Cb -0.21 -3.51 0.10 0.00 1.11 0.00 0.00 32.58 30.06 1xy3 s HIS 256 CO -0.03 -1.48 0.06 0.71 -0.85 0.00 0.00 174.74 173.15 1xy3 s TYR 257 N -0.26 3.55 0.46 1.40 1.51 -1.26 -0.09 117.35 122.66 1xy3 s TYR 257 Ca 0.53 -2.89 -0.21 0.00 -1.01 0.00 0.00 57.07 53.49 1xy3 s TYR 257 Cb -0.35 -2.80 -0.09 0.00 -0.11 0.00 0.00 41.96 38.61 1xy3 s TYR 257 CO 0.40 -0.94 1.03 -0.06 -1.11 0.00 0.00 175.55 174.88 1xy3 s PHE 258 N 0.94 3.08 0.21 2.71 0.08 -0.91 -4.78 117.98 119.31 1xy3 s PHE 258 Ca 0.11 1.59 -0.25 0.00 0.12 0.00 0.00 56.93 58.51 1xy3 s PHE 258 Cb -0.19 -3.06 -0.08 0.00 -0.57 0.00 0.00 43.02 39.11 1xy3 s PHE 258 CO -0.09 -0.74 0.81 -1.21 -0.10 0.00 0.00 175.22 173.89 1xy3 s GLU 259 N -3.06 4.54 -0.29 0.44 2.02 -1.26 -0.89 118.70 120.19 1xy3 s GLU 259 Ca 0.65 1.16 -0.04 0.00 0.02 0.00 0.00 54.97 56.77 1xy3 s GLU 259 Cb -0.17 -3.10 0.03 0.00 0.10 0.00 0.00 34.13 30.99 1xy3 s GLU 259 CO 0.21 0.48 0.02 0.42 0.02 0.00 0.00 175.26 176.40 1xy3 s ILE 260 N -1.32 3.30 -0.51 -1.63 1.01 -1.26 -4.89 121.20 115.91 1xy3 s ILE 260 Ca 0.40 -1.09 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 1xy3 s ILE 260 Cb -0.21 -2.78 0.03 0.00 0.01 0.00 0.00 42.46 39.50 1xy3 s ILE 260 CO 0.25 0.01 1.20 -0.62 0.00 0.00 0.00 174.94 175.78 1xy3 s ASP 261 N 1.35 6.52 -0.11 3.58 -1.08 -1.26 -4.62 116.67 121.05 1xy3 s ASP 261 Ca -0.01 0.39 0.17 0.00 -0.52 0.00 0.00 52.55 52.57 1xy3 s ASP 261 Cb -0.18 -2.55 0.64 0.00 -1.46 0.00 0.00 42.92 39.37 1xy3 s ASP 261 CO -0.01 -1.37 1.56 0.18 0.52 0.00 0.00 175.17 176.05 1xy3 n LEU 262 N 8.23 4.44 -0.24 -1.34 4.77 -1.26 -4.57 117.00 127.03 1xy3 n LEU 262 Ca 0.12 -2.48 0.04 0.00 -0.03 0.00 0.00 56.01 53.65 1xy3 n LEU 262 Cb 0.49 -0.53 0.28 0.00 -2.33 0.00 0.00 43.42 41.33 1xy3 n LEU 262 CO 0.72 0.78 1.24 0.77 -1.33 0.00 0.00 177.39 179.56 1xy3 h SER 263 N 3.50 0.81 0.00 -1.43 4.64 -1.65 -1.31 113.55 118.09 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 1.38 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1xy3 h SER 263 CO 0.21 0.53 0.04 -2.67 -0.87 0.00 0.00 176.83 174.07 1xy3 n TRP 264 N -4.47 0.55 -3.70 4.77 4.27 -1.26 -1.68 117.44 115.92 1xy3 n TRP 264 Ca 0.11 0.29 -0.38 0.00 -3.89 0.00 0.00 57.50 53.64 1xy3 n TRP 264 Cb 0.18 -0.93 -0.10 0.00 -1.36 0.00 0.00 31.31 29.09 1xy3 n TRP 264 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1xy3 s HIS 265 N -3.40 3.53 -1.42 -2.67 5.04 -0.51 -4.67 115.29 111.19 1xy3 s HIS 265 Ca -0.02 -2.29 -0.10 0.00 -1.54 0.00 0.00 55.06 51.11 1xy3 s HIS 265 Cb 0.05 -3.31 0.07 0.00 0.04 0.00 0.00 32.58 29.42 1xy3 s HIS 265 CO 0.15 -0.97 0.66 1.63 -2.34 0.00 0.00 174.74 173.87 1xy3 n LYS 266 N 4.58 -4.28 -3.94 2.88 5.02 -1.26 -1.55 118.16 119.60 1xy3 n LYS 266 Ca -0.03 0.59 -0.30 0.00 -2.02 0.00 0.00 58.31 56.55 1xy3 n LYS 266 Cb 0.41 -5.38 0.02 0.00 -0.02 0.00 0.00 35.03 30.05 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 -1.39 -0.45 3.69 0.72 0.00 -0.67 -4.89 105.19 102.19 1xy3 n GLY 267 Ca -0.02 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1xy3 n GLY 267 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xy3 s LEU 268 N -7.21 4.34 -0.34 0.99 2.96 -0.60 -4.86 118.68 113.97 1xy3 s LEU 268 Ca 0.58 2.29 -0.18 0.00 -0.22 0.00 0.00 54.13 56.59 1xy3 s LEU 268 Cb -0.29 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.82 1xy3 s LEU 268 CO 0.85 -0.77 0.53 -1.10 -1.32 0.00 0.00 176.35 174.54 1xy3 s GLN 269 N 2.20 3.69 0.00 1.98 -1.52 -1.26 -1.68 119.66 123.07 1xy3 s GLN 269 Ca 0.67 -0.07 0.07 0.00 -1.95 0.00 0.00 55.36 54.08 1xy3 s GLN 269 Cb -0.35 -3.79 0.11 0.00 -0.22 0.00 0.00 33.01 28.76 1xy3 s GLN 269 CO 0.29 -0.62 0.97 -1.71 -0.25 0.00 0.00 175.29 173.97 1xy3 n ASN 270 N 5.76 0.19 -4.49 5.90 5.15 -1.26 -4.77 115.26 121.74 1xy3 n ASN 270 Ca -0.04 -1.85 -0.24 0.00 -0.60 0.00 0.00 54.58 51.84 1xy3 n ASN 270 Cb 0.49 -0.16 -0.10 0.00 -0.53 0.00 0.00 39.78 39.48 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 0.00 2.19 0.00 -0.44 -4.23 -1.26 -3.56 115.64 108.33 1xy3 s THR 271 Ca 0.09 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 1xy3 s THR 271 Cb 0.10 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1xy3 s THR 271 CO -0.04 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 1xy3 n GLY 272 N -0.69 3.38 0.04 3.99 0.00 -1.26 -0.91 105.19 109.74 1xy3 n GLY 272 Ca -0.05 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.03 1xy3 n GLY 272 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xy3 n LYS 273 N 14.00 0.04 0.00 1.61 4.81 -1.26 -1.99 118.16 135.38 1xy3 n LYS 273 Ca 0.00 0.42 0.10 0.00 -0.87 0.00 0.00 58.31 57.96 1xy3 n LYS 273 Cb 0.00 -1.61 -0.09 0.00 0.02 0.00 0.00 35.03 33.35 1xy3 n LYS 273 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xy3 n ASN 274 N -1.70 0.98 -4.67 3.14 4.13 -0.08 -4.97 115.26 112.09 1xy3 n ASN 274 Ca 0.01 -0.96 -0.47 0.00 1.68 0.00 0.00 54.58 54.84 1xy3 n ASN 274 Cb 0.10 0.95 -0.04 0.00 -1.54 0.00 0.00 39.78 39.24 1xy3 n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xy3 n ALA 275 N -1.48 1.05 0.00 5.41 0.00 -0.84 -4.45 120.51 120.20 1xy3 n ALA 275 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1xy3 n ALA 275 Cb 0.33 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1xy3 n ALA 275 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xy3 n GLU 276 N 4.65 0.00 -3.81 0.00 1.02 -1.26 -4.97 120.64 116.26 1xy3 n GLU 276 Ca 0.19 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.98 1xy3 n GLU 276 Cb 0.28 -0.38 -0.10 0.00 -0.02 0.00 0.00 31.44 31.22 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 -1.77 5.06 0.34 2.62 1.01 -1.26 -5.09 120.40 121.30 1xy3 s VAL 277 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1xy3 s VAL 277 Cb 0.00 -3.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 1xy3 s VAL 277 CO 0.00 0.40 -0.01 -0.36 0.00 0.00 0.00 175.10 175.13 1xy3 s PHE 278 N 0.73 2.17 -0.34 5.22 0.40 -1.26 -4.07 117.98 120.83 1xy3 s PHE 278 Ca 0.06 -0.74 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1xy3 s PHE 278 Cb -0.13 -1.38 0.09 0.00 0.51 0.00 0.00 43.02 42.11 1xy3 s PHE 278 CO 0.02 0.29 0.05 0.00 0.70 0.00 0.00 175.22 176.28 1xy3 s ALA 279 N -2.96 2.89 0.13 5.36 0.00 -0.07 -4.94 121.76 122.19 1xy3 s ALA 279 Ca 0.33 -2.29 -0.32 0.00 0.00 0.00 0.00 51.96 49.69 1xy3 s ALA 279 Cb 0.07 -2.01 -0.11 0.00 0.00 0.00 0.00 23.12 21.07 1xy3 s ALA 279 CO 0.15 -1.57 1.81 -2.30 0.00 0.00 0.00 175.76 173.85 1xy3 n PRO 280 N 4.42 2.76 -3.30 0.00 -0.02 -1.26 -2.14 135.00 135.46 1xy3 n PRO 280 Ca -0.03 1.00 -0.38 0.00 -2.02 0.00 0.00 63.50 62.07 1xy3 n PRO 280 Cb 0.42 -2.88 -0.06 0.00 -0.02 0.00 0.00 33.50 30.96 1xy3 n PRO 280 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xy3 s GLN 281 N 2.44 4.33 0.01 -0.52 -1.52 0.87 -4.96 119.66 120.32 1xy3 s GLN 281 Ca 0.81 0.49 -0.20 0.00 -1.95 0.00 0.00 55.36 54.51 1xy3 s GLN 281 Cb -0.50 -3.42 -0.21 0.00 -0.22 0.00 0.00 33.01 28.66 1xy3 s GLN 281 CO 0.37 0.18 1.15 0.77 -0.25 0.00 0.00 175.29 177.51 1xy3 h SER 282 N 6.60 0.48 -4.99 5.90 0.02 -1.93 -3.40 113.55 116.24 1xy3 h SER 282 Ca -0.42 -0.70 -0.01 0.00 -0.84 0.00 0.00 61.79 59.83 1xy3 h SER 282 Cb 1.18 -0.15 -0.12 0.00 0.14 0.00 0.00 62.40 63.46 1xy3 h SER 282 CO 0.75 1.11 0.22 1.51 -1.14 0.00 0.00 176.83 179.28 1xy3 s ASP 283 N -6.58 -0.54 0.97 3.07 1.47 -1.26 -4.80 116.67 108.99 1xy3 s ASP 283 Ca -0.14 -0.04 -0.02 0.00 1.18 0.00 0.00 52.55 53.54 1xy3 s ASP 283 Cb 0.04 0.60 0.02 0.00 -0.34 0.00 0.00 42.92 43.24 1xy3 s ASP 283 CO 0.80 -0.98 0.15 -0.81 0.68 0.00 0.00 175.17 175.01 1xy3 n PRO 284 N -0.38 -0.10 -3.77 2.11 -0.04 -1.26 -5.13 135.00 126.42 1xy3 n PRO 284 Ca -0.16 -0.23 -0.13 0.00 -0.04 0.00 0.00 63.50 62.94 1xy3 n PRO 284 Cb 0.64 -0.15 -0.09 0.00 -0.04 0.00 0.00 33.50 33.86 1xy3 n PRO 284 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xy3 s ASN 285 N -1.54 -0.21 0.48 3.54 4.22 -1.26 -4.72 114.94 115.45 1xy3 s ASN 285 Ca 0.08 0.22 -0.21 0.00 -2.14 0.00 0.00 52.86 50.81 1xy3 s ASN 285 Cb -0.00 0.40 -0.08 0.00 1.28 0.00 0.00 41.25 42.85 1xy3 s ASN 285 CO 0.06 -0.34 1.07 -0.83 -2.04 0.00 0.00 177.10 175.02 1xy3 s GLY 286 N -0.90 2.60 -0.09 0.45 0.00 -1.20 -4.85 107.32 103.32 1xy3 s GLY 286 Ca -0.10 0.70 -0.02 0.00 0.00 0.00 0.00 44.72 45.30 1xy3 s GLY 286 CO 0.03 1.06 0.03 -2.27 0.00 0.00 0.00 173.10 171.95 1xy3 s LEU 287 N -3.40 0.52 -0.21 0.66 2.96 -1.26 0.39 118.68 118.34 1xy3 s LEU 287 Ca 0.67 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1xy3 s LEU 287 Cb -0.20 -0.36 0.03 0.00 0.50 0.00 0.00 46.19 46.16 1xy3 s LEU 287 CO 0.24 -0.24 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.24 1xy3 s ILE 288 N 2.03 2.18 0.14 6.68 1.09 -0.12 -5.00 121.20 128.18 1xy3 s ILE 288 Ca 0.04 -1.14 0.06 0.00 -1.10 0.00 0.00 60.65 58.50 1xy3 s ILE 288 Cb -0.13 -2.04 -0.04 0.00 -1.06 0.00 0.00 42.46 39.19 1xy3 s ILE 288 CO -0.05 0.35 0.03 -0.54 -0.10 0.00 0.00 174.94 174.62 1xy3 s LYS 289 N 1.24 2.58 -0.28 2.79 1.02 -1.26 -1.75 119.74 124.08 1xy3 s LYS 289 Ca 0.01 -0.94 -0.18 0.00 0.02 0.00 0.00 55.97 54.88 1xy3 s LYS 289 Cb -0.15 -2.50 0.08 0.00 -0.52 0.00 0.00 37.83 34.74 1xy3 s LYS 289 CO -0.10 0.50 0.72 0.00 -0.92 0.00 0.00 175.35 175.55 1xy3 s THR 291 N 1.37 1.87 -0.25 0.00 2.01 -1.26 -1.02 115.64 118.36 1xy3 s THR 291 Ca -0.08 -1.48 -0.08 0.00 0.31 0.00 0.00 61.69 60.37 1xy3 s THR 291 Cb -0.05 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 1xy3 s THR 291 CO -0.16 -0.09 0.09 -0.69 -0.69 0.00 0.00 174.62 173.08 1xy3 s VAL 292 N 1.23 4.47 0.00 3.82 1.01 -0.19 -4.96 120.40 125.78 1xy3 s VAL 292 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1xy3 s VAL 292 Cb -0.19 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1xy3 s VAL 292 CO -0.06 0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1xy3 n GLY 293 N 4.90 3.16 3.89 4.51 0.00 -1.26 -1.58 105.19 118.82 1xy3 n GLY 293 Ca -0.16 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.87 3.37 0.00 1.61 0.52 -1.25 -5.00 118.95 117.34 1xy3 s ARG 294 Ca 0.00 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 1xy3 s ARG 294 Cb 0.00 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.45 1xy3 s ARG 294 CO 0.00 0.63 0.19 0.43 0.02 0.00 0.00 175.30 176.57