#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 4.09 -0.23 0.00 1.01 -1.26 -4.87 120.40 119.14 1xy3 s VAL 3 Ca 0.00 1.08 0.19 0.00 0.00 0.00 0.00 61.98 63.24 1xy3 s VAL 3 Cb 0.00 -4.54 0.07 0.00 0.00 0.00 0.00 36.38 31.90 1xy3 s VAL 3 CO 0.00 -1.03 1.26 0.11 0.00 0.00 0.00 175.10 175.44 1xy3 h LYS 4 N 9.69 0.00 -1.63 2.72 1.57 -2.07 -3.47 116.57 123.37 1xy3 h LYS 4 Ca -0.24 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1xy3 h LYS 4 Cb 1.07 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.16 1xy3 h LYS 4 CO 1.13 0.24 0.51 0.00 -0.57 0.00 0.00 179.45 180.77 1xy3 s ALA 5 N -3.09 -1.91 -0.28 3.86 0.00 -1.26 -5.18 121.76 113.91 1xy3 s ALA 5 Ca 0.02 1.54 -0.20 0.00 0.00 0.00 0.00 51.96 53.32 1xy3 s ALA 5 Cb 0.08 -0.59 0.09 0.00 0.00 0.00 0.00 23.12 22.69 1xy3 s ALA 5 CO 0.75 -0.33 0.75 0.00 0.00 0.00 0.00 175.76 176.94 1xy3 s ALA 6 N -1.20 -1.88 0.09 0.00 0.00 -1.26 -5.16 121.76 112.34 1xy3 s ALA 6 Ca -0.02 2.22 -0.01 0.00 0.00 0.00 0.00 51.96 54.14 1xy3 s ALA 6 Cb -0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1xy3 s ALA 6 CO 0.02 -0.35 0.02 1.03 0.00 0.00 0.00 175.76 176.48 1xy3 s ARG 7 N 1.03 0.77 -0.18 0.00 0.52 -1.26 -4.64 118.95 115.19 1xy3 s ARG 7 Ca -0.05 -1.32 -0.33 0.00 -0.52 0.00 0.00 55.73 53.51 1xy3 s ARG 7 Cb -0.05 0.23 0.14 0.00 0.52 0.00 0.00 34.95 35.79 1xy3 s ARG 7 CO -0.11 -0.19 1.17 1.52 0.02 0.00 0.00 175.30 177.71 1xy3 s TYR 8 N -3.98 -0.17 -3.10 -0.53 1.13 -1.12 -4.94 117.35 104.65 1xy3 s TYR 8 Ca 0.15 0.15 0.00 0.00 -1.41 0.00 0.00 57.07 55.96 1xy3 s TYR 8 Cb 0.08 0.51 0.00 0.00 -1.10 0.00 0.00 41.96 41.44 1xy3 s TYR 8 CO -0.04 -0.24 0.00 0.41 -2.51 0.00 0.00 175.55 173.17 1xy3 n GLY 9 N 0.05 -0.56 3.58 5.49 0.00 -1.26 0.98 105.19 113.47 1xy3 n GLY 9 Ca -0.02 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.24 2.65 0.35 1.61 2.47 -0.62 -4.89 119.74 120.08 1xy3 s LYS 10 Ca 0.00 -0.63 0.08 0.00 -1.56 0.00 0.00 55.97 53.87 1xy3 s LYS 10 Cb 0.00 -2.54 -0.07 0.00 -1.46 0.00 0.00 37.83 33.76 1xy3 s LYS 10 CO 0.00 0.64 -0.07 0.34 0.16 0.00 0.00 175.35 176.42 1xy3 s ASP 11 N -1.04 3.57 -1.53 1.43 -1.08 -1.26 -1.24 116.67 115.52 1xy3 s ASP 11 Ca 0.14 -1.23 -0.09 0.00 -0.52 0.00 0.00 52.55 50.85 1xy3 s ASP 11 Cb -0.11 -0.32 0.07 0.00 -1.46 0.00 0.00 42.92 41.10 1xy3 s ASP 11 CO 0.04 -0.28 0.65 0.59 0.52 0.00 0.00 175.17 176.69 1xy3 n ASN 12 N -0.79 -2.12 -4.51 -0.34 3.02 -1.21 -4.92 115.26 104.39 1xy3 n ASN 12 Ca -0.05 -0.96 -0.43 0.00 -0.03 0.00 0.00 54.58 53.11 1xy3 n ASN 12 Cb 0.64 -3.13 -0.06 0.00 -0.61 0.00 0.00 39.78 36.62 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 -3.61 4.70 0.02 2.41 1.01 -0.56 -4.88 120.40 119.49 1xy3 s VAL 13 Ca 0.37 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.22 1xy3 s VAL 13 Cb -0.20 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1xy3 s VAL 13 CO 0.89 -0.76 0.88 -0.13 0.00 0.00 0.00 175.10 175.98 1xy3 s ARG 14 N 3.14 4.55 -0.02 2.72 0.52 -1.26 -0.73 118.95 127.87 1xy3 s ARG 14 Ca 0.25 1.25 0.02 0.00 -0.52 0.00 0.00 55.73 56.73 1xy3 s ARG 14 Cb -0.14 -3.42 0.01 0.00 0.52 0.00 0.00 34.95 31.91 1xy3 s ARG 14 CO 0.19 0.09 -0.07 0.08 0.02 0.00 0.00 175.30 175.62 1xy3 s VAL 15 N 0.55 0.61 -0.05 3.52 1.01 0.01 -5.00 120.40 121.05 1xy3 s VAL 15 Ca 0.45 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1xy3 s VAL 15 Cb -0.21 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1xy3 s VAL 15 CO 0.25 0.20 -0.15 -0.47 0.00 0.00 0.00 175.10 174.93 1xy3 s TYR 16 N 0.26 1.59 -0.01 5.22 6.14 -1.26 -1.08 117.35 128.21 1xy3 s TYR 16 Ca -0.03 -0.49 0.02 0.00 0.64 0.00 0.00 57.07 57.22 1xy3 s TYR 16 Cb -0.08 -1.09 -0.00 0.00 0.42 0.00 0.00 41.96 41.21 1xy3 s TYR 16 CO 0.00 -0.19 -0.08 0.21 0.64 0.00 0.00 175.55 176.13 1xy3 s LYS 17 N 0.20 0.74 0.07 4.97 2.20 0.10 -4.98 119.74 123.05 1xy3 s LYS 17 Ca -0.06 -0.29 0.07 0.00 -0.36 0.00 0.00 55.97 55.33 1xy3 s LYS 17 Cb -0.12 -0.71 -0.04 0.00 -1.51 0.00 0.00 37.83 35.45 1xy3 s LYS 17 CO 0.03 0.15 -0.13 0.54 -0.36 0.00 0.00 175.35 175.57 1xy3 s VAL 18 N -0.05 3.16 -0.14 4.02 0.11 -1.26 -0.16 120.40 126.08 1xy3 s VAL 18 Ca 0.01 -1.21 0.02 0.00 -2.93 0.00 0.00 61.98 57.87 1xy3 s VAL 18 Cb -0.05 -2.42 0.01 0.00 -1.53 0.00 0.00 36.38 32.40 1xy3 s VAL 18 CO -0.00 0.22 -0.19 -2.28 -3.33 0.00 0.00 175.10 169.52 1xy3 s HIS 19 N -1.09 2.46 -0.09 1.54 2.46 0.16 -4.97 115.29 115.77 1xy3 s HIS 19 Ca 0.18 -1.29 0.01 0.00 0.47 0.00 0.00 55.06 54.43 1xy3 s HIS 19 Cb -0.11 -1.71 -0.02 0.00 -0.13 0.00 0.00 32.58 30.60 1xy3 s HIS 19 CO 0.10 -0.63 -0.10 0.15 -2.47 0.00 0.00 174.74 171.78 1xy3 s LYS 20 N 1.05 2.96 -0.38 2.88 1.02 -1.26 -0.77 119.74 125.23 1xy3 s LYS 20 Ca -0.03 -0.63 -0.11 0.00 0.02 0.00 0.00 55.97 55.23 1xy3 s LYS 20 Cb -0.14 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1xy3 s LYS 20 CO -0.05 0.48 0.22 0.34 -0.92 0.00 0.00 175.35 175.41 1xy3 s ASP 21 N -0.33 5.74 0.30 2.83 2.15 -0.57 -4.95 116.67 121.84 1xy3 s ASP 21 Ca 0.04 -1.05 -0.00 0.00 0.43 0.00 0.00 52.55 51.96 1xy3 s ASP 21 Cb -0.13 -2.02 0.48 0.00 -0.30 0.00 0.00 42.92 40.95 1xy3 s ASP 21 CO 0.02 -0.41 1.90 -0.33 -0.17 0.00 0.00 175.17 176.19 1xy3 h GLU 22 N 8.44 0.86 0.00 4.34 5.08 -1.94 0.37 114.58 131.73 1xy3 h GLU 22 Ca -0.25 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1xy3 h GLU 22 Cb 1.10 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1xy3 h GLU 22 CO 0.68 0.68 0.00 1.63 -1.00 0.00 0.00 179.01 181.00 1xy3 n LYS 23 N -4.34 0.00 0.21 2.33 5.02 -1.26 -4.14 118.16 115.98 1xy3 n LYS 23 Ca 0.05 0.13 0.07 0.00 -2.02 0.00 0.00 58.31 56.54 1xy3 n LYS 23 Cb 0.14 -0.99 0.46 0.00 -0.02 0.00 0.00 35.03 34.63 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 0.91 0.00 -0.18 1.35 -2.00 -3.46 112.91 109.53 1xy3 h THR 24 Ca 0.00 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1xy3 h THR 24 Cb 0.00 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1xy3 h THR 24 CO 0.00 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 1xy3 n GLY 25 N -0.29 0.80 3.77 5.82 0.00 0.13 -5.02 105.19 110.39 1xy3 n GLY 25 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.05 3.96 0.05 1.61 1.01 -1.25 -4.75 120.40 117.97 1xy3 s VAL 26 Ca 0.00 1.79 0.09 0.00 0.00 0.00 0.00 61.98 63.86 1xy3 s VAL 26 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1xy3 s VAL 26 CO 0.00 0.30 -0.26 -1.10 0.00 0.00 0.00 175.10 174.04 1xy3 s GLN 27 N -1.68 1.77 -0.07 2.72 -0.21 0.56 -1.51 119.66 121.25 1xy3 s GLN 27 Ca 0.47 -1.10 0.03 0.00 0.02 0.00 0.00 55.36 54.77 1xy3 s GLN 27 Cb -0.24 -1.95 0.01 0.00 1.00 0.00 0.00 33.01 31.83 1xy3 s GLN 27 CO 0.31 0.50 -0.15 0.99 -2.12 0.00 0.00 175.29 174.82 1xy3 s THR 28 N -0.81 1.35 0.03 -0.19 2.01 0.05 -4.64 115.64 113.44 1xy3 s THR 28 Ca 0.11 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.56 1xy3 s THR 28 Cb -0.10 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1xy3 s THR 28 CO 0.02 0.40 -0.16 0.68 -0.69 0.00 0.00 174.62 174.87 1xy3 s VAL 29 N 0.47 2.91 -0.10 3.82 -7.23 -1.26 0.39 120.40 119.40 1xy3 s VAL 29 Ca -0.13 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1xy3 s VAL 29 Cb -0.15 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.59 1xy3 s VAL 29 CO 0.04 0.36 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.79 1xy3 s TYR 30 N -0.92 1.51 -0.07 2.82 2.02 0.78 -4.87 117.35 118.63 1xy3 s TYR 30 Ca 0.15 -0.69 0.02 0.00 -0.37 0.00 0.00 57.07 56.17 1xy3 s TYR 30 Cb -0.11 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.28 1xy3 s TYR 30 CO 0.05 -0.44 -0.11 -2.00 -1.57 0.00 0.00 175.55 171.48 1xy3 s GLU 31 N 1.31 1.61 0.16 -0.62 2.12 -1.26 0.01 118.70 122.03 1xy3 s GLU 31 Ca -0.02 -0.38 -0.11 0.00 0.36 0.00 0.00 54.97 54.82 1xy3 s GLU 31 Cb -0.14 -1.36 0.00 0.00 0.26 0.00 0.00 34.13 32.90 1xy3 s GLU 31 CO -0.04 0.00 0.33 0.00 -0.54 0.00 0.00 175.26 175.02 1xy3 s MET 32 N 0.74 1.17 -0.15 4.30 0.23 -0.24 -1.39 119.30 123.95 1xy3 s MET 32 Ca -0.13 -1.06 -0.01 0.00 -1.03 0.00 0.00 55.69 53.46 1xy3 s MET 32 Cb -0.16 0.41 -0.01 0.00 -1.53 0.00 0.00 34.83 33.55 1xy3 s MET 32 CO 0.03 -0.44 -0.12 0.99 -2.03 0.00 0.00 175.02 173.45 1xy3 s THR 33 N -3.93 3.02 0.09 3.16 2.01 0.05 -0.81 115.64 119.24 1xy3 s THR 33 Ca 0.13 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 61.56 1xy3 s THR 33 Cb 0.02 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1xy3 s THR 33 CO -0.02 0.50 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 1xy3 s VAL 34 N 0.68 2.93 -0.03 3.82 1.01 0.09 -1.37 120.40 127.53 1xy3 s VAL 34 Ca -0.06 -1.37 -0.00 0.00 0.00 0.00 0.00 61.98 60.55 1xy3 s VAL 34 Cb -0.15 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.94 1xy3 s VAL 34 CO 0.02 0.17 0.02 0.00 0.00 0.00 0.00 175.10 175.31 1xy3 s VAL 36 N 1.26 1.82 -0.07 0.00 1.01 -0.37 -0.51 120.40 123.54 1xy3 s VAL 36 Ca -0.07 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1xy3 s VAL 36 Cb -0.13 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1xy3 s VAL 36 CO -0.03 0.51 -0.13 -0.76 0.00 0.00 0.00 175.10 174.69 1xy3 s LEU 37 N 0.36 1.70 0.22 3.92 1.43 -0.46 -1.58 118.68 124.26 1xy3 s LEU 37 Ca -0.16 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1xy3 s LEU 37 Cb -0.17 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 1xy3 s LEU 37 CO 0.07 0.05 0.24 -0.76 0.23 0.00 0.00 176.35 176.18 1xy3 s LEU 38 N 0.60 4.01 0.04 1.79 1.43 0.27 -0.96 118.68 125.87 1xy3 s LEU 38 Ca -0.14 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1xy3 s LEU 38 Cb -0.16 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 1xy3 s LEU 38 CO 0.04 -0.01 0.04 -1.61 0.23 0.00 0.00 176.35 175.04 1xy3 s GLU 39 N -3.63 0.58 0.00 1.70 2.02 -0.76 -2.81 118.70 115.79 1xy3 s GLU 39 Ca 0.33 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1xy3 s GLU 39 Cb -0.09 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.36 1xy3 s GLU 39 CO 0.26 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1xy3 n GLY 40 N 0.59 -0.30 2.64 -1.39 0.00 -1.26 -1.67 105.19 103.80 1xy3 n GLY 40 Ca -0.18 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 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 3.87 -0.15 1.61 1.02 0.10 -4.47 120.64 122.63 1xy3 n GLU 41 Ca 0.00 -3.20 0.04 0.00 -0.02 0.00 0.00 57.16 53.99 1xy3 n GLU 41 Cb 0.00 -2.85 0.12 0.00 -0.02 0.00 0.00 31.44 28.69 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 3.04 1.16 -0.28 -3.67 -5.35 -1.26 -4.76 119.36 108.24 1xy3 n ILE 42 Ca 0.55 -1.14 0.06 0.00 -0.27 0.00 0.00 62.75 61.95 1xy3 n ILE 42 Cb 0.31 0.39 0.21 0.00 -1.74 0.00 0.00 39.64 38.81 1xy3 n ILE 42 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1xy3 h GLU 43 N 1.35 0.56 0.00 6.28 4.81 -1.98 -1.86 114.58 123.74 1xy3 h GLU 43 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1xy3 h GLU 43 Cb 0.75 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 1xy3 h GLU 43 CO 0.02 0.37 -0.01 1.79 -0.73 0.00 0.00 179.01 180.46 1xy3 h THR 44 N 0.58 0.08 0.00 0.32 1.35 -1.89 -1.37 112.91 111.98 1xy3 h THR 44 Ca 0.44 -0.11 -0.05 0.00 -0.55 0.00 0.00 66.41 66.15 1xy3 h THR 44 Cb 0.62 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 1xy3 h THR 44 CO -0.36 0.01 -0.23 0.77 -0.25 0.00 0.00 175.52 175.45 1xy3 h SER 45 N 0.00 0.00 0.04 5.36 4.64 -1.36 0.30 113.55 122.53 1xy3 h SER 45 Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 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 0.23 -1.47 1.88 -0.87 0.00 0.00 176.83 176.60 1xy3 h TYR 46 N 0.00 0.14 0.08 4.77 -1.99 -1.40 -3.30 116.97 115.27 1xy3 h TYR 46 Ca -0.00 -0.10 -0.27 0.00 2.00 0.00 0.00 58.73 60.36 1xy3 h TYR 46 Cb 0.61 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.32 1xy3 h TYR 46 CO 0.00 1.58 -1.30 1.79 -0.00 0.00 0.00 178.16 180.22 1xy3 h THR 47 N -0.70 1.40 0.00 -2.88 1.35 -1.37 -3.39 112.91 107.32 1xy3 h THR 47 Ca -0.37 -3.06 0.00 0.00 -0.55 0.00 0.00 66.41 62.43 1xy3 h THR 47 Cb 1.51 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.74 1xy3 h THR 47 CO -0.13 0.86 0.00 0.29 -0.25 0.00 0.00 175.52 176.29 1xy3 n LYS 48 N -3.41 1.09 -3.47 4.72 4.76 0.98 -4.99 118.16 117.84 1xy3 n LYS 48 Ca -0.09 -1.00 -0.24 0.00 -2.87 0.00 0.00 58.31 54.10 1xy3 n LYS 48 Cb 1.01 -0.98 0.06 0.00 -1.84 0.00 0.00 35.03 33.27 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 -0.26 -1.20 -2.78 7.82 0.00 -0.64 -4.93 120.51 118.53 1xy3 n ALA 49 Ca 0.00 0.33 -0.44 0.00 0.00 0.00 0.00 53.44 53.33 1xy3 n ALA 49 Cb 0.14 -4.81 -0.07 0.00 0.00 0.00 0.00 19.45 14.72 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 -3.11 6.20 0.00 0.00 2.15 -0.91 -4.92 116.67 116.08 1xy3 s ASP 50 Ca 0.51 -1.00 0.28 0.00 0.43 0.00 0.00 52.55 52.77 1xy3 s ASP 50 Cb -0.23 -2.26 1.02 0.00 -0.30 0.00 0.00 42.92 41.14 1xy3 s ASP 50 CO 0.63 -0.82 1.75 0.59 -0.17 0.00 0.00 175.17 177.15 1xy3 n ASN 51 N 5.91 0.37 0.22 -0.34 3.02 -1.26 -3.46 115.26 119.72 1xy3 n ASN 51 Ca -0.08 -0.20 0.17 0.00 -0.03 0.00 0.00 54.58 54.44 1xy3 n ASN 51 Cb 0.45 -0.10 0.84 0.00 -0.61 0.00 0.00 39.78 40.36 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 0.28 0.00 -0.27 6.41 4.64 -1.99 0.17 113.55 122.78 1xy3 h SER 52 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xy3 h SER 52 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1xy3 h SER 52 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 1xy3 n VAL 53 N -3.83 0.35 -3.45 0.95 0.24 -1.26 -4.88 118.33 106.46 1xy3 n VAL 53 Ca 0.01 -0.51 -0.41 0.00 -2.04 0.00 0.00 64.34 61.39 1xy3 n VAL 53 Cb 0.28 0.58 -0.10 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.65 5.21 -0.43 1.34 -1.09 0.58 -4.84 121.20 120.33 1xy3 s ILE 54 Ca 0.34 -0.04 -0.25 0.00 -2.23 0.00 0.00 60.65 58.47 1xy3 s ILE 54 Cb 0.19 -3.78 0.02 0.00 -1.58 0.00 0.00 42.46 37.31 1xy3 s ILE 54 CO 0.27 -0.06 0.87 -0.69 -1.23 0.00 0.00 174.94 174.11 1xy3 s VAL 55 N 1.91 4.58 0.18 2.92 1.01 -1.26 -4.97 120.40 124.76 1xy3 s VAL 55 Ca 0.10 0.78 -0.33 0.00 0.00 0.00 0.00 61.98 62.52 1xy3 s VAL 55 Cb -0.17 -4.35 -0.15 0.00 0.00 0.00 0.00 36.38 31.71 1xy3 s VAL 55 CO 0.11 -0.69 1.29 0.00 0.00 0.00 0.00 175.10 175.82 1xy3 n ALA 56 N 6.87 -0.12 -0.17 5.51 0.00 -1.26 -4.82 120.51 126.52 1xy3 n ALA 56 Ca 0.05 0.46 0.12 0.00 0.00 0.00 0.00 53.44 54.07 1xy3 n ALA 56 Cb 0.48 -2.13 0.45 0.00 0.00 0.00 0.00 19.45 18.26 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 2.96 0.87 -0.55 0.00 1.35 -1.93 0.65 112.91 116.25 1xy3 h THR 57 Ca -0.45 -0.18 0.02 0.00 -0.55 0.00 0.00 66.41 65.25 1xy3 h THR 57 Cb 1.32 0.30 -0.03 0.00 -1.73 0.00 0.00 68.15 68.00 1xy3 h THR 57 CO 0.74 0.10 0.37 -0.78 -0.25 0.00 0.00 175.52 175.70 1xy3 h ASP 58 N 0.53 0.58 1.19 5.36 3.58 -1.95 0.26 116.42 125.97 1xy3 h ASP 58 Ca 0.35 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.72 1xy3 h ASP 58 Cb 0.64 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1xy3 h ASP 58 CO -0.12 0.41 -0.32 0.28 -2.88 0.00 0.00 179.24 176.61 1xy3 h SER 59 N 0.68 0.00 0.63 2.28 0.02 -0.08 -1.66 113.55 115.43 1xy3 h SER 59 Ca 0.21 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.99 1xy3 h SER 59 Cb 0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1xy3 h SER 59 CO -0.05 0.32 -0.77 0.40 -1.14 0.00 0.00 176.83 175.59 1xy3 h ILE 60 N 0.00 1.50 -0.07 3.27 2.04 0.46 -0.68 117.51 124.04 1xy3 h ILE 60 Ca -0.00 -2.49 -0.18 0.00 1.00 0.00 0.00 64.86 63.19 1xy3 h ILE 60 Cb 1.01 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 1xy3 h ILE 60 CO 0.04 0.72 -0.72 0.50 0.00 0.00 0.00 178.15 178.69 1xy3 h LYS 61 N 0.06 0.35 -0.18 2.37 3.64 -0.68 -2.52 116.57 119.62 1xy3 h LYS 61 Ca -0.02 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.03 1xy3 h LYS 61 Cb 1.35 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1xy3 h LYS 61 CO 0.11 0.93 -0.07 -0.91 -2.27 0.00 0.00 179.45 177.24 1xy3 h ASN 62 N 0.24 0.37 -0.74 4.20 2.35 -1.13 -3.00 115.58 117.86 1xy3 h ASN 62 Ca -0.03 -0.40 0.03 0.00 -0.55 0.00 0.00 56.30 55.36 1xy3 h ASN 62 Cb 1.29 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.51 1xy3 h ASN 62 CO 0.12 0.68 0.49 0.74 -1.65 0.00 0.00 177.43 177.81 1xy3 h THR 63 N 0.05 1.11 -0.42 2.81 2.02 -1.10 -1.11 112.91 116.28 1xy3 h THR 63 Ca 0.04 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 1xy3 h THR 63 Cb 0.53 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1xy3 h THR 63 CO 0.02 0.17 0.20 0.40 0.37 0.00 0.00 175.52 176.68 1xy3 h ILE 64 N 0.90 1.18 -0.01 3.11 2.04 -1.37 0.13 117.51 123.50 1xy3 h ILE 64 Ca 0.30 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1xy3 h ILE 64 Cb 0.05 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1xy3 h ILE 64 CO -0.08 0.19 0.00 1.88 0.00 0.00 0.00 178.15 180.14 1xy3 h TYR 65 N 0.54 0.02 -0.91 1.37 0.05 -1.33 -1.70 116.97 115.01 1xy3 h TYR 65 Ca 0.15 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.01 1xy3 h TYR 65 Cb 0.12 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 37.78 1xy3 h TYR 65 CO -0.01 0.29 0.56 0.82 -1.05 0.00 0.00 178.16 178.77 1xy3 h ILE 66 N -0.26 0.99 -0.48 -2.88 2.04 -1.10 -1.01 117.51 114.80 1xy3 h ILE 66 Ca 0.00 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 1xy3 h ILE 66 Cb 0.29 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1xy3 h ILE 66 CO 0.00 0.18 0.01 0.74 0.00 0.00 0.00 178.15 179.07 1xy3 h THR 67 N 0.97 1.26 0.00 -0.27 2.02 -0.60 -2.57 112.91 113.72 1xy3 h THR 67 Ca 0.42 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1xy3 h THR 67 Cb 0.29 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1xy3 h THR 67 CO -0.21 0.37 -0.08 0.00 0.37 0.00 0.00 175.52 175.96 1xy3 h ALA 68 N 0.93 1.09 0.07 6.16 0.00 -0.46 -0.43 119.26 126.63 1xy3 h ALA 68 Ca 0.14 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 1xy3 h ALA 68 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xy3 h ALA 68 CO 0.02 0.10 -1.16 -0.22 0.00 0.00 0.00 179.25 178.00 1xy3 h LYS 69 N 0.00 0.16 0.00 0.00 1.63 -0.84 -3.35 116.57 114.17 1xy3 h LYS 69 Ca -0.00 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 1xy3 h LYS 69 Cb 0.42 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1xy3 h LYS 69 CO 0.01 1.12 -1.05 1.04 -3.45 0.00 0.00 179.45 177.12 1xy3 n GLN 70 N -3.45 0.07 -4.40 1.90 6.02 -1.01 -5.00 117.38 111.52 1xy3 n GLN 70 Ca -0.05 -0.02 -0.20 0.00 -0.01 0.00 0.00 57.00 56.72 1xy3 n GLN 70 Cb 0.99 -1.51 -0.10 0.00 1.02 0.00 0.00 30.24 30.64 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 -3.18 2.17 0.18 1.08 0.01 -0.20 -5.09 114.94 109.90 1xy3 s ASN 71 Ca 0.07 -1.31 -0.30 0.00 -0.71 0.00 0.00 52.86 50.61 1xy3 s ASN 71 Cb 0.16 -0.05 -0.07 0.00 0.41 0.00 0.00 41.25 41.70 1xy3 s ASN 71 CO 0.86 -0.56 1.06 -2.16 -1.51 0.00 0.00 177.10 174.79 1xy3 s PRO 72 N -3.87 4.64 0.00 -0.60 0.04 -1.26 -4.70 135.00 129.24 1xy3 s PRO 72 Ca 0.33 1.65 0.25 0.00 0.04 0.00 0.00 61.00 63.27 1xy3 s PRO 72 Cb 0.07 -3.29 0.67 0.00 0.04 0.00 0.00 34.50 31.99 1xy3 s PRO 72 CO 0.13 0.15 1.52 1.33 0.04 0.00 0.00 177.00 180.17 1xy3 n VAL 73 N 2.31 0.12 -4.13 -0.36 0.24 -1.26 -4.35 118.33 110.89 1xy3 n VAL 73 Ca 0.02 -0.41 -0.16 0.00 -2.04 0.00 0.00 64.34 61.75 1xy3 n VAL 73 Cb 0.47 0.80 -0.15 0.00 -1.47 0.00 0.00 33.84 33.49 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 -1.88 0.39 0.61 3.34 -1.32 -1.26 -3.62 115.64 111.90 1xy3 s THR 74 Ca 0.34 -0.18 -0.14 0.00 -1.21 0.00 0.00 61.69 60.50 1xy3 s THR 74 Cb 0.20 -0.36 -0.03 0.00 -1.51 0.00 0.00 72.50 70.80 1xy3 s THR 74 CO 0.31 0.13 1.05 -2.16 -2.21 0.00 0.00 174.62 171.73 1xy3 s PRO 75 N 0.10 3.32 0.50 7.08 0.04 -1.26 -4.90 135.00 139.89 1xy3 s PRO 75 Ca -0.01 1.09 0.23 0.00 0.04 0.00 0.00 61.00 62.36 1xy3 s PRO 75 Cb -0.05 -2.04 1.31 0.00 0.04 0.00 0.00 34.50 33.77 1xy3 s PRO 75 CO -0.00 -0.80 1.97 -1.00 0.04 0.00 0.00 177.00 177.21 1xy3 h PRO 76 N 0.20 0.11 -0.20 0.56 0.13 -1.95 0.17 132.00 131.02 1xy3 h PRO 76 Ca -0.46 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1xy3 h PRO 76 Cb 1.21 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1xy3 h PRO 76 CO 0.58 0.07 -0.00 0.93 -0.23 0.00 0.00 178.00 179.35 1xy3 h GLU 77 N 0.11 0.28 0.00 0.86 3.07 -1.97 0.01 114.58 116.95 1xy3 h GLU 77 Ca 0.30 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1xy3 h GLU 77 Cb 1.02 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1xy3 h GLU 77 CO -0.03 0.32 -0.01 1.25 -1.40 0.00 0.00 179.01 179.13 1xy3 h LEU 78 N 0.28 0.00 -1.16 1.33 5.85 -1.36 -3.12 115.31 117.14 1xy3 h LEU 78 Ca 0.07 -0.54 0.19 0.00 0.84 0.00 0.00 57.88 58.44 1xy3 h LEU 78 Cb 0.20 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 1xy3 h LEU 78 CO 0.00 0.77 0.61 0.15 -0.34 0.00 0.00 178.44 179.64 1xy3 h PHE 79 N -1.00 0.92 -0.59 1.25 3.57 -1.33 0.20 116.94 119.96 1xy3 h PHE 79 Ca -0.00 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 1xy3 h PHE 79 Cb 0.54 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1xy3 h PHE 79 CO 0.15 0.23 0.06 0.78 -2.23 0.00 0.00 178.31 177.30 1xy3 h GLY 80 N 0.68 1.08 1.15 2.40 0.00 -1.10 -1.38 103.07 105.90 1xy3 h GLY 80 Ca 0.54 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 1xy3 h GLY 80 CO -0.31 0.69 -0.07 1.76 0.00 0.00 0.00 176.54 178.61 1xy3 h SER 81 N 0.90 0.99 0.30 0.19 0.02 -0.95 -0.16 113.55 114.84 1xy3 h SER 81 Ca 0.18 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1xy3 h SER 81 Cb 0.47 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1xy3 h SER 81 CO 0.02 1.08 -0.15 0.40 -1.14 0.00 0.00 176.83 177.04 1xy3 h ILE 82 N 0.90 0.73 -0.87 3.27 2.04 -1.04 -0.36 117.51 122.18 1xy3 h ILE 82 Ca 0.15 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1xy3 h ILE 82 Cb 0.62 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1xy3 h ILE 82 CO 0.04 0.05 0.57 0.25 0.00 0.00 0.00 178.15 179.06 1xy3 h LEU 83 N -0.54 0.88 -0.20 1.44 5.85 -1.18 -1.87 115.31 119.69 1xy3 h LEU 83 Ca -0.04 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 1xy3 h LEU 83 Cb 0.40 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1xy3 h LEU 83 CO 0.07 0.57 -0.45 1.23 -0.34 0.00 0.00 178.44 179.53 1xy3 h GLY 84 N 1.00 0.72 1.03 3.75 0.00 -0.85 -3.27 103.07 105.45 1xy3 h GLY 84 Ca 0.36 -0.87 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 1xy3 h GLY 84 CO -0.13 0.78 0.11 -0.84 0.00 0.00 0.00 176.54 176.47 1xy3 h THR 85 N 0.34 1.26 -0.80 4.70 2.02 -0.74 -3.14 112.91 116.55 1xy3 h THR 85 Ca 0.00 -0.97 0.19 0.00 0.77 0.00 0.00 66.41 66.39 1xy3 h THR 85 Cb 1.05 0.71 -0.12 0.00 -1.74 0.00 0.00 68.15 68.06 1xy3 h THR 85 CO 0.10 0.36 0.23 -0.74 0.37 0.00 0.00 175.52 175.83 1xy3 h HIS 86 N 0.90 0.35 -0.50 3.16 6.17 -1.40 -1.81 115.15 122.03 1xy3 h HIS 86 Ca 0.19 0.04 -0.12 0.00 0.71 0.00 0.00 60.37 61.19 1xy3 h HIS 86 Cb 0.40 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.29 1xy3 h HIS 86 CO 0.03 -0.11 -0.14 0.74 0.71 0.00 0.00 177.93 179.16 1xy3 h PHE 87 N 0.28 1.11 0.00 5.26 0.04 -1.64 0.98 116.94 122.96 1xy3 h PHE 87 Ca 0.47 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 61.00 1xy3 h PHE 87 Cb 0.86 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1xy3 h PHE 87 CO -0.25 1.06 0.00 0.44 -0.60 0.00 0.00 178.31 178.96 1xy3 n ILE 88 N -4.17 0.58 -0.08 -0.55 -5.35 -0.89 -2.28 119.36 106.62 1xy3 n ILE 88 Ca 0.01 -0.14 -0.16 0.00 -0.27 0.00 0.00 62.75 62.19 1xy3 n ILE 88 Cb 0.42 -0.70 -0.14 0.00 -1.74 0.00 0.00 39.64 37.48 1xy3 n ILE 88 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1xy3 n GLU 89 N -2.15 0.68 0.09 6.28 1.02 -0.73 -4.47 120.64 121.36 1xy3 n GLU 89 Ca 0.05 0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.21 1xy3 n GLU 89 Cb 0.37 -1.59 -0.12 0.00 -0.02 0.00 0.00 31.44 30.08 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 0.21 -4.88 3.49 1.63 -0.86 -3.44 116.57 112.74 1xy3 h LYS 90 Ca -0.51 -0.34 -0.67 0.00 -0.85 0.00 0.00 60.65 58.28 1xy3 h LYS 90 Cb 2.02 0.12 -0.28 0.00 -0.60 0.00 0.00 32.23 33.50 1xy3 h LYS 90 CO -0.01 1.15 -0.67 0.71 -3.45 0.00 0.00 179.45 177.17 1xy3 s TYR 91 N -2.73 3.09 0.45 1.91 2.02 -0.97 -4.99 117.35 116.12 1xy3 s TYR 91 Ca -0.03 -1.09 0.13 0.00 -0.37 0.00 0.00 57.07 55.72 1xy3 s TYR 91 Cb 0.08 -2.17 1.05 0.00 -0.40 0.00 0.00 41.96 40.52 1xy3 s TYR 91 CO 0.86 -0.60 2.03 -0.91 -1.57 0.00 0.00 175.55 175.37 1xy3 h ASN 92 N 8.15 0.31 0.40 2.29 2.35 -1.85 -2.54 115.58 124.69 1xy3 h ASN 92 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1xy3 h ASN 92 Cb 1.13 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1xy3 h ASN 92 CO 0.59 0.20 -0.46 0.00 -1.65 0.00 0.00 177.43 176.12 1xy3 n HIS 93 N -4.47 0.00 -3.33 1.19 1.44 -1.26 -4.85 115.22 103.94 1xy3 n HIS 93 Ca 0.06 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.39 1xy3 n HIS 93 Cb 0.26 -0.20 -0.06 0.00 0.12 0.00 0.00 29.99 30.11 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 -2.86 5.08 0.00 0.61 -1.09 -0.96 -0.72 121.20 121.26 1xy3 s ILE 94 Ca 0.14 1.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 1xy3 s ILE 94 Cb 0.18 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 1xy3 s ILE 94 CO 0.66 0.40 0.48 1.41 -1.23 0.00 0.00 174.94 176.66 1xy3 n HIS 95 N 3.05 0.00 -3.66 3.97 8.25 -0.67 -4.65 115.22 121.51 1xy3 n HIS 95 Ca -0.08 -0.12 -0.14 0.00 -0.26 0.00 0.00 57.72 57.12 1xy3 n HIS 95 Cb 0.52 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.23 -1.41 -0.02 -1.41 0.00 -1.13 -1.47 121.76 116.09 1xy3 s ALA 96 Ca 0.00 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.42 1xy3 s ALA 96 Cb 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1xy3 s ALA 96 CO 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 175.76 175.46 1xy3 s ALA 97 N -0.06 0.29 -0.25 0.00 0.00 -0.49 -1.83 121.76 119.42 1xy3 s ALA 97 Ca -0.03 0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1xy3 s ALA 97 Cb -0.04 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 22.95 1xy3 s ALA 97 CO 0.02 -0.01 -0.07 -1.01 0.00 0.00 0.00 175.76 174.69 1xy3 s HIS 98 N 0.51 2.88 -0.15 0.00 3.76 -0.13 -1.03 115.29 121.13 1xy3 s HIS 98 Ca -0.05 -2.10 -0.04 0.00 -0.15 0.00 0.00 55.06 52.72 1xy3 s HIS 98 Cb -0.08 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.76 1xy3 s HIS 98 CO -0.01 -0.84 -0.01 0.08 -0.85 0.00 0.00 174.74 173.12 1xy3 s VAL 99 N 1.23 4.19 -0.10 -0.90 1.01 -0.22 -1.36 120.40 124.26 1xy3 s VAL 99 Ca -0.06 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1xy3 s VAL 99 Cb -0.19 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1xy3 s VAL 99 CO -0.06 0.50 -0.21 0.21 0.00 0.00 0.00 175.10 175.54 1xy3 s ASN 100 N 0.17 2.81 -0.05 3.32 2.47 0.33 -0.89 114.94 123.09 1xy3 s ASN 100 Ca 0.00 -0.51 0.03 0.00 0.42 0.00 0.00 52.86 52.80 1xy3 s ASN 100 Cb -0.13 -1.28 0.01 0.00 -1.45 0.00 0.00 41.25 38.39 1xy3 s ASN 100 CO 0.02 0.12 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.78 1xy3 s ILE 101 N 0.48 1.02 -0.16 -5.21 1.01 -0.34 -1.11 121.20 116.89 1xy3 s ILE 101 Ca -0.16 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1xy3 s ILE 101 Cb -0.17 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.39 1xy3 s ILE 101 CO 0.06 0.32 -0.20 -0.69 0.00 0.00 0.00 174.94 174.43 1xy3 s VAL 102 N 0.46 2.13 -0.23 2.92 1.01 -0.47 -1.68 120.40 124.54 1xy3 s VAL 102 Ca -0.09 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 1xy3 s VAL 102 Cb -0.13 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1xy3 s VAL 102 CO 0.02 0.54 0.10 0.00 0.00 0.00 0.00 175.10 175.76 1xy3 s HIS 104 N 1.13 3.46 -0.11 0.00 3.76 -0.49 -3.17 115.29 119.88 1xy3 s HIS 104 Ca 0.05 0.75 -0.24 0.00 -0.15 0.00 0.00 55.06 55.47 1xy3 s HIS 104 Cb -0.14 -2.18 -0.03 0.00 1.11 0.00 0.00 32.58 31.34 1xy3 s HIS 104 CO 0.04 0.16 0.73 1.03 -0.85 0.00 0.00 174.74 175.84 1xy3 s ARG 105 N -3.42 4.38 -0.48 1.40 0.52 -1.26 -4.58 118.95 115.50 1xy3 s ARG 105 Ca 0.46 0.89 0.05 0.00 -0.52 0.00 0.00 55.73 56.61 1xy3 s ARG 105 Cb -0.11 -3.49 0.20 0.00 0.52 0.00 0.00 34.95 32.07 1xy3 s ARG 105 CO 0.28 -0.07 0.46 0.91 0.02 0.00 0.00 175.30 176.90 1xy3 n TRP 106 N 4.28 0.42 -2.52 -0.53 5.03 -1.26 -4.23 117.44 118.63 1xy3 n TRP 106 Ca 0.00 -3.64 -0.42 0.00 3.03 0.00 0.00 57.50 56.48 1xy3 n TRP 106 Cb 0.51 -0.13 -0.03 0.00 -1.03 0.00 0.00 31.31 30.62 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 -0.79 4.14 0.27 -0.99 2.01 -0.54 -4.74 115.64 115.00 1xy3 s THR 107 Ca 0.33 1.65 -0.31 0.00 0.31 0.00 0.00 61.69 63.67 1xy3 s THR 107 Cb 0.07 -4.05 -0.12 0.00 0.01 0.00 0.00 72.50 68.41 1xy3 s THR 107 CO -0.15 0.19 1.63 -1.14 -0.69 0.00 0.00 174.62 174.46 1xy3 n ARG 108 N 3.32 2.71 -2.38 4.92 0.63 -1.26 -1.11 116.66 123.49 1xy3 n ARG 108 Ca 0.06 0.97 -0.34 0.00 -0.92 0.00 0.00 57.85 57.62 1xy3 n ARG 108 Cb 0.47 -2.77 -0.02 0.00 0.45 0.00 0.00 32.46 30.59 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 -0.04 3.65 -0.37 -0.14 -1.94 -0.62 -4.86 119.30 114.98 1xy3 s MET 109 Ca 0.67 1.30 -0.01 0.00 -1.71 0.00 0.00 55.69 55.94 1xy3 s MET 109 Cb -0.50 -2.08 0.09 0.00 2.01 0.00 0.00 34.83 34.36 1xy3 s MET 109 CO 0.44 -0.55 0.12 -0.51 -0.01 0.00 0.00 175.02 174.51 1xy3 s ASP 110 N -2.27 5.06 -0.36 3.03 1.01 -1.26 -1.00 116.67 120.89 1xy3 s ASP 110 Ca 0.66 -1.89 -0.12 0.00 0.71 0.00 0.00 52.55 51.91 1xy3 s ASP 110 Cb -0.16 -1.76 0.00 0.00 1.01 0.00 0.00 42.92 42.02 1xy3 s ASP 110 CO 0.26 -0.44 0.23 -0.63 0.21 0.00 0.00 175.17 174.79 1xy3 s ILE 111 N 1.11 4.96 -0.95 0.77 -1.09 0.60 -4.43 121.20 122.17 1xy3 s ILE 111 Ca 0.06 -0.51 -0.05 0.00 -2.23 0.00 0.00 60.65 57.92 1xy3 s ILE 111 Cb -0.21 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1xy3 s ILE 111 CO -0.04 -0.11 0.82 0.47 -1.23 0.00 0.00 174.94 174.85 1xy3 n ASP 112 N 5.07 -4.34 -0.38 3.58 8.00 -1.26 -2.45 116.55 124.76 1xy3 n ASP 112 Ca -0.12 -0.41 -0.05 0.00 0.71 0.00 0.00 54.79 54.92 1xy3 n ASP 112 Cb 0.48 -3.80 -0.02 0.00 -0.02 0.00 0.00 41.12 37.76 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 -1.46 0.70 2.96 0.44 0.00 -1.26 -5.00 105.19 101.57 1xy3 n GLY 113 Ca -0.05 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.90 0.71 -0.16 1.61 -2.85 -1.03 -5.11 119.74 111.02 1xy3 s LYS 114 Ca 0.00 -0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 54.46 1xy3 s LYS 114 Cb 0.00 -0.69 -0.05 0.00 -2.06 0.00 0.00 37.83 35.03 1xy3 s LYS 114 CO 0.00 0.08 1.87 -2.14 0.10 0.00 0.00 175.35 175.26 1xy3 s PRO 115 N 0.21 3.70 0.37 1.78 0.02 -1.26 -0.29 135.00 139.52 1xy3 s PRO 115 Ca -0.03 2.00 -0.27 0.00 0.02 0.00 0.00 61.00 62.72 1xy3 s PRO 115 Cb -0.07 -4.16 -0.09 0.00 0.02 0.00 0.00 34.50 30.19 1xy3 s PRO 115 CO 0.00 -1.44 1.26 -1.58 -0.33 0.00 0.00 177.00 174.91 1xy3 s HIS 116 N 5.88 3.01 0.06 6.54 2.46 -0.17 -4.93 115.29 128.13 1xy3 s HIS 116 Ca 0.84 1.46 0.28 0.00 0.47 0.00 0.00 55.06 58.11 1xy3 s HIS 116 Cb -0.32 -3.59 1.02 0.00 -0.13 0.00 0.00 32.58 29.57 1xy3 s HIS 116 CO 0.34 -1.73 1.86 -1.00 -2.47 0.00 0.00 174.74 171.73 1xy3 h PRO 117 N 3.01 0.00 0.00 2.88 0.13 -1.92 -3.39 132.00 132.71 1xy3 h PRO 117 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 1xy3 h PRO 117 Cb 1.23 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.19 1xy3 h PRO 117 CO 0.64 0.12 -0.55 -2.39 -0.23 0.00 0.00 178.00 175.59 1xy3 n HIS 118 N -3.24 0.00 -5.15 1.56 1.44 -1.26 -0.32 115.22 108.25 1xy3 n HIS 118 Ca 0.01 -0.32 -0.29 0.00 -2.01 0.00 0.00 57.72 55.11 1xy3 n HIS 118 Cb 0.40 0.12 -0.16 0.00 0.12 0.00 0.00 29.99 30.47 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 -1.19 2.75 0.14 4.39 0.01 -1.26 -5.05 113.70 113.49 1xy3 s SER 119 Ca 0.12 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 56.97 1xy3 s SER 119 Cb 0.14 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 1xy3 s SER 119 CO -0.06 0.26 -0.05 -0.36 0.41 0.00 0.00 173.24 173.44 1xy3 s PHE 120 N -0.38 1.11 0.02 2.43 0.40 -1.26 -1.59 117.98 118.71 1xy3 s PHE 120 Ca 0.04 -0.90 0.01 0.00 -0.60 0.00 0.00 56.93 55.49 1xy3 s PHE 120 Cb -0.11 -0.61 -0.01 0.00 0.51 0.00 0.00 43.02 42.80 1xy3 s PHE 120 CO 0.01 -0.10 -0.05 -1.50 0.70 0.00 0.00 175.22 174.28 1xy3 s ILE 121 N -3.54 0.36 -0.95 0.64 2.07 -0.27 -4.87 121.20 114.64 1xy3 s ILE 121 Ca 0.17 -0.61 -0.20 0.00 -1.41 0.00 0.00 60.65 58.60 1xy3 s ILE 121 Cb 0.05 -0.38 0.11 0.00 0.13 0.00 0.00 42.46 42.37 1xy3 s ILE 121 CO -0.00 -0.18 1.20 -0.60 -1.91 0.00 0.00 174.94 173.44 1xy3 s ARG 122 N -0.85 3.59 0.00 3.50 6.06 -1.26 -1.46 118.95 128.53 1xy3 s ARG 122 Ca -0.05 -1.61 0.10 0.00 -2.50 0.00 0.00 55.73 51.67 1xy3 s ARG 122 Cb -0.06 -5.00 0.60 0.00 0.06 0.00 0.00 34.95 30.55 1xy3 s ARG 122 CO -0.00 -1.87 1.30 -0.40 -2.50 0.00 0.00 175.30 171.82 1xy3 n ASP 123 N 7.08 0.00 0.00 -2.12 5.75 -1.26 -4.87 116.55 121.13 1xy3 n ASP 123 Ca 0.26 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1xy3 n ASP 123 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1xy3 n ASP 123 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1xy3 n SER 124 N -0.68 0.00 -0.98 -1.12 2.88 -1.26 -4.99 113.62 107.48 1xy3 n SER 124 Ca 0.08 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.68 1xy3 n SER 124 Cb 0.03 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 63.71 1xy3 n SER 124 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xy3 n GLU 125 N -0.12 2.43 -2.47 -1.46 -0.58 -1.26 -4.58 120.64 112.60 1xy3 n GLU 125 Ca 0.00 -1.69 -0.40 0.00 -0.42 0.00 0.00 57.16 54.65 1xy3 n GLU 125 Cb 0.00 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 29.29 1xy3 n GLU 125 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1xy3 s GLU 126 N -1.60 4.63 0.15 3.49 2.12 -1.25 -4.72 118.70 121.52 1xy3 s GLU 126 Ca 0.31 1.81 0.10 0.00 0.36 0.00 0.00 54.97 57.54 1xy3 s GLU 126 Cb 0.18 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 1xy3 s GLU 126 CO 0.17 0.19 -0.24 0.15 -0.54 0.00 0.00 175.26 174.99 1xy3 s LYS 127 N -1.34 1.35 -0.29 4.30 -0.14 0.78 -4.53 119.74 119.87 1xy3 s LYS 127 Ca 0.45 -1.36 -0.01 0.00 -1.36 0.00 0.00 55.97 53.68 1xy3 s LYS 127 Cb -0.32 -1.69 0.05 0.00 -1.68 0.00 0.00 37.83 34.19 1xy3 s LYS 127 CO 0.41 0.38 -0.01 0.50 -0.76 0.00 0.00 175.35 175.87 1xy3 s ARG 128 N -2.28 2.44 0.32 1.68 3.52 -1.19 -1.30 118.95 122.13 1xy3 s ARG 128 Ca 0.14 -1.25 0.09 0.00 -0.13 0.00 0.00 55.73 54.58 1xy3 s ARG 128 Cb -0.09 -3.15 -0.05 0.00 -1.56 0.00 0.00 34.95 30.10 1xy3 s ARG 128 CO 0.07 -0.60 0.00 -0.80 -0.81 0.00 0.00 175.30 173.16 1xy3 s ASN 129 N 1.25 4.27 -0.09 -2.12 -0.87 -0.65 -1.27 114.94 115.45 1xy3 s ASN 129 Ca -0.05 -0.88 -0.08 0.00 -1.57 0.00 0.00 52.86 50.28 1xy3 s ASN 129 Cb -0.20 -0.61 0.03 0.00 -0.02 0.00 0.00 41.25 40.45 1xy3 s ASN 129 CO -0.01 -0.16 0.24 0.68 -2.57 0.00 0.00 177.10 175.27 1xy3 s VAL 130 N -2.46 -0.01 -0.26 1.60 -7.23 -0.68 -1.46 120.40 109.91 1xy3 s VAL 130 Ca 0.34 0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.55 1xy3 s VAL 130 Cb -0.02 -0.34 0.06 0.00 0.56 0.00 0.00 36.38 36.64 1xy3 s VAL 130 CO 0.19 0.01 -0.08 -1.58 -0.31 0.00 0.00 175.10 173.34 1xy3 s GLN 131 N 0.28 1.98 -0.21 4.82 0.74 -0.39 -1.20 119.66 125.68 1xy3 s GLN 131 Ca -0.01 -1.31 -0.04 0.00 0.05 0.00 0.00 55.36 54.05 1xy3 s GLN 131 Cb -0.03 -2.83 -0.01 0.00 1.10 0.00 0.00 33.01 31.24 1xy3 s GLN 131 CO -0.01 -0.62 -0.03 0.08 -0.55 0.00 0.00 175.29 174.16 1xy3 s VAL 132 N 1.16 3.57 -0.23 1.34 1.01 -0.07 -1.38 120.40 125.81 1xy3 s VAL 132 Ca -0.06 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 1xy3 s VAL 132 Cb -0.20 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1xy3 s VAL 132 CO -0.06 0.42 0.06 -1.81 0.00 0.00 0.00 175.10 173.72 1xy3 s ASP 133 N 1.31 5.26 -0.33 3.32 1.01 0.43 -1.05 116.67 126.62 1xy3 s ASP 133 Ca 0.04 -0.13 -0.00 0.00 0.71 0.00 0.00 52.55 53.17 1xy3 s ASP 133 Cb -0.14 -1.93 0.07 0.00 1.01 0.00 0.00 42.92 41.93 1xy3 s ASP 133 CO -0.01 0.03 0.04 -0.69 0.21 0.00 0.00 175.17 174.75 1xy3 s VAL 134 N 1.23 2.83 -0.17 -1.27 1.01 -0.20 -0.36 120.40 123.47 1xy3 s VAL 134 Ca 0.05 -1.75 -0.02 0.00 0.00 0.00 0.00 61.98 60.25 1xy3 s VAL 134 Cb -0.14 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1xy3 s VAL 134 CO 0.03 -0.32 -0.07 -0.69 0.00 0.00 0.00 175.10 174.04 1xy3 s VAL 135 N 1.14 3.39 -0.09 2.92 1.01 -1.11 -1.39 120.40 126.27 1xy3 s VAL 135 Ca 0.00 -0.52 -0.36 0.00 0.00 0.00 0.00 61.98 61.10 1xy3 s VAL 135 Cb -0.20 -2.48 -0.14 0.00 0.00 0.00 0.00 36.38 33.55 1xy3 s VAL 135 CO -0.04 0.48 1.72 1.21 0.00 0.00 0.00 175.10 178.47 1xy3 n GLU 136 N 3.98 1.71 0.00 2.72 2.13 -0.54 -0.63 120.64 130.01 1xy3 n GLU 136 Ca -0.18 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1xy3 n GLU 136 Cb 0.52 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.85 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 3.93 2.96 1.25 8.31 0.00 -1.26 -4.82 105.19 115.55 1xy3 n GLY 137 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.97 3.44 0.00 1.61 5.02 0.19 -5.08 118.16 122.37 1xy3 n LYS 138 Ca 0.00 -2.72 0.00 0.00 -2.02 0.00 0.00 58.31 53.57 1xy3 n LYS 138 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 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 0.60 -0.33 2.94 0.72 0.00 -1.12 -4.81 105.19 103.20 1xy3 n GLY 139 Ca 0.22 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 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 1.07 -0.18 -0.61 1.01 0.31 -2.75 121.20 120.06 1xy3 s ILE 140 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 1xy3 s ILE 140 Cb 0.00 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 1xy3 s ILE 140 CO 0.00 0.37 0.12 -1.81 0.00 0.00 0.00 174.94 173.61 1xy3 s ASP 141 N 1.40 6.13 0.01 3.58 1.01 0.52 -1.14 116.67 128.17 1xy3 s ASP 141 Ca -0.01 0.25 0.06 0.00 0.71 0.00 0.00 52.55 53.57 1xy3 s ASP 141 Cb -0.13 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 1xy3 s ASP 141 CO -0.05 0.23 -0.19 -0.63 0.21 0.00 0.00 175.17 174.74 1xy3 s ILE 142 N 0.04 1.50 -0.25 0.77 1.01 -1.26 -0.43 121.20 122.59 1xy3 s ILE 142 Ca 0.09 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1xy3 s ILE 142 Cb -0.11 -1.28 0.08 0.00 0.01 0.00 0.00 42.46 41.16 1xy3 s ILE 142 CO -0.00 0.32 0.08 -0.54 0.00 0.00 0.00 174.94 174.79 1xy3 s LYS 143 N -0.73 0.55 0.24 2.79 1.02 -0.48 -1.96 119.74 121.17 1xy3 s LYS 143 Ca 0.07 -0.62 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 1xy3 s LYS 143 Cb -0.08 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 1xy3 s LYS 143 CO 0.00 -0.82 0.44 -1.12 -0.92 0.00 0.00 175.35 172.93 1xy3 s SER 144 N 1.85 6.38 0.15 2.83 0.01 -0.51 -1.26 113.70 123.15 1xy3 s SER 144 Ca 0.04 0.44 -0.25 0.00 1.31 0.00 0.00 55.95 57.49 1xy3 s SER 144 Cb -0.17 -2.02 0.07 0.00 0.21 0.00 0.00 66.02 64.10 1xy3 s SER 144 CO -0.19 -0.11 0.98 -0.94 0.41 0.00 0.00 173.24 173.39 1xy3 s SER 145 N -3.34 -0.16 0.00 2.44 1.04 -0.53 0.19 113.70 113.35 1xy3 s SER 145 Ca 0.39 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.42 1xy3 s SER 145 Cb -0.11 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1xy3 s SER 145 CO 0.30 -0.89 -0.07 -1.48 0.98 0.00 0.00 173.24 172.08 1xy3 s LEU 146 N -2.98 2.05 0.22 2.42 0.05 -0.24 -1.64 118.68 118.57 1xy3 s LEU 146 Ca 0.13 -0.19 -0.07 0.00 0.05 0.00 0.00 54.13 54.06 1xy3 s LEU 146 Cb -0.01 -0.33 -0.02 0.00 -2.05 0.00 0.00 46.19 43.78 1xy3 s LEU 146 CO 0.02 0.04 0.29 -0.94 -0.55 0.00 0.00 176.35 175.22 1xy3 s SER 147 N -0.38 0.04 -0.64 1.48 1.04 -0.42 -1.52 113.70 113.30 1xy3 s SER 147 Ca 0.01 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1xy3 s SER 147 Cb -0.04 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1xy3 s SER 147 CO -0.00 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1xy3 n GLY 148 N -0.31 0.77 3.47 7.32 0.00 -1.23 -0.16 105.19 115.05 1xy3 n GLY 148 Ca -0.00 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.45 4.74 -0.23 0.99 2.96 -1.24 -3.77 118.68 120.70 1xy3 s LEU 149 Ca 0.00 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.11 1xy3 s LEU 149 Cb 0.00 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1xy3 s LEU 149 CO 0.00 -0.91 0.11 -0.89 -1.32 0.00 0.00 176.35 173.34 1xy3 s THR 150 N 2.85 4.95 0.14 3.68 2.01 -1.26 0.10 115.64 128.11 1xy3 s THR 150 Ca 0.19 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.26 1xy3 s THR 150 Cb -0.17 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1xy3 s THR 150 CO 0.14 0.37 -0.10 0.68 -0.69 0.00 0.00 174.62 175.02 1xy3 s VAL 151 N 1.03 1.11 -0.17 3.82 -7.23 -0.48 -5.02 120.40 113.46 1xy3 s VAL 151 Ca 0.06 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.06 1xy3 s VAL 151 Cb -0.14 -1.78 0.05 0.00 0.56 0.00 0.00 36.38 35.07 1xy3 s VAL 151 CO 0.04 -0.73 0.48 -0.22 -0.31 0.00 0.00 175.10 174.36 1xy3 s LEU 152 N -3.07 0.15 -0.09 1.32 0.20 -1.26 -1.82 118.68 114.11 1xy3 s LEU 152 Ca 0.15 0.95 0.02 0.00 0.69 0.00 0.00 54.13 55.93 1xy3 s LEU 152 Cb 0.02 1.67 0.01 0.00 -0.43 0.00 0.00 46.19 47.46 1xy3 s LEU 152 CO 0.00 -0.18 -0.14 -1.59 -0.29 0.00 0.00 176.35 174.15 1xy3 s LYS 153 N 0.19 1.98 0.45 1.98 -2.85 -0.41 -5.01 119.74 116.08 1xy3 s LYS 153 Ca -0.01 -0.48 0.29 0.00 -1.00 0.00 0.00 55.97 54.78 1xy3 s LYS 153 Cb -0.03 -1.70 1.07 0.00 -2.06 0.00 0.00 37.83 35.11 1xy3 s LYS 153 CO 0.01 -0.05 1.85 0.66 0.10 0.00 0.00 175.35 177.92 1xy3 h SER 154 N 7.34 0.00 -5.06 0.03 4.64 -1.87 -1.86 113.55 116.76 1xy3 h SER 154 Ca -0.30 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1xy3 h SER 154 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 1xy3 h SER 154 CO 0.47 0.00 0.19 0.28 -0.87 0.00 0.00 176.83 176.91 1xy3 s THR 155 N -3.48 0.00 -0.17 2.95 -1.32 -1.26 -4.36 115.64 107.99 1xy3 s THR 155 Ca 0.03 -1.08 -0.01 0.00 -1.21 0.00 0.00 61.69 59.42 1xy3 s THR 155 Cb 0.08 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.52 1xy3 s THR 155 CO 0.54 0.00 0.15 0.59 -2.21 0.00 0.00 174.62 173.69 1xy3 n ASN 156 N -1.07 -2.56 -3.76 8.08 4.13 -1.26 -4.94 115.26 113.88 1xy3 n ASN 156 Ca -0.06 -0.07 -0.12 0.00 1.68 0.00 0.00 54.58 56.01 1xy3 n ASN 156 Cb 0.60 -1.08 -0.12 0.00 -1.54 0.00 0.00 39.78 37.63 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 -3.04 -0.26 0.28 6.41 0.15 -1.26 -3.61 113.70 112.37 1xy3 s SER 157 Ca 0.07 0.51 0.02 0.00 0.70 0.00 0.00 55.95 57.25 1xy3 s SER 157 Cb -0.03 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.67 1xy3 s SER 157 CO 0.09 -0.13 0.10 -1.10 1.20 0.00 0.00 173.24 173.41 1xy3 s GLN 158 N 0.76 1.49 -0.30 5.44 -0.21 0.24 -2.01 119.66 125.07 1xy3 s GLN 158 Ca -0.05 -1.82 0.05 0.00 0.02 0.00 0.00 55.36 53.56 1xy3 s GLN 158 Cb -0.07 -0.32 0.20 0.00 1.00 0.00 0.00 33.01 33.82 1xy3 s GLN 158 CO -0.05 -0.31 0.63 0.12 -2.12 0.00 0.00 175.29 173.56 1xy3 s PHE 159 N -3.66 -1.74 0.28 0.91 5.36 -0.46 -3.70 117.98 114.98 1xy3 s PHE 159 Ca 0.37 0.92 -0.06 0.00 -0.96 0.00 0.00 56.93 57.20 1xy3 s PHE 159 Cb 0.07 0.30 -0.01 0.00 -0.34 0.00 0.00 43.02 43.04 1xy3 s PHE 159 CO 0.14 -1.03 0.41 1.67 -1.46 0.00 0.00 175.22 174.95 1xy3 s TRP 160 N 2.72 0.80 -0.85 10.12 1.48 -1.26 -1.95 118.94 130.00 1xy3 s TRP 160 Ca 0.12 -1.08 0.00 0.00 -1.06 0.00 0.00 56.10 54.08 1xy3 s TRP 160 Cb -0.09 -0.07 0.00 0.00 -1.16 0.00 0.00 33.47 32.16 1xy3 s TRP 160 CO -0.24 -0.98 0.00 0.41 -4.06 0.00 0.00 176.95 172.08 1xy3 n GLY 161 N -0.43 0.97 3.91 3.67 0.00 -1.26 -5.01 105.19 107.03 1xy3 n GLY 161 Ca 0.00 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.18 3.56 0.23 1.61 -0.71 -1.26 -5.01 117.98 114.22 1xy3 s PHE 162 Ca 0.00 0.82 -0.31 0.00 -1.04 0.00 0.00 56.93 56.39 1xy3 s PHE 162 Cb 0.00 -2.32 -0.14 0.00 -1.21 0.00 0.00 43.02 39.35 1xy3 s PHE 162 CO 0.00 -0.29 1.29 -0.11 -1.34 0.00 0.00 175.22 174.76 1xy3 n LEU 163 N -2.27 2.53 -4.02 -1.99 0.00 -1.26 -5.00 117.00 104.98 1xy3 n LEU 163 Ca 0.01 1.15 -0.26 0.00 0.00 0.00 0.00 56.01 56.91 1xy3 n LEU 163 Cb 0.55 -1.35 -0.17 0.00 0.00 0.00 0.00 43.42 42.45 1xy3 n LEU 163 CO 0.53 -0.82 -0.47 -0.13 0.00 0.00 0.00 177.39 176.50 1xy3 s ARG 164 N -0.61 1.80 0.00 1.96 0.52 -1.26 -4.99 118.95 116.37 1xy3 s ARG 164 Ca 0.68 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1xy3 s ARG 164 Cb -0.71 -1.53 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1xy3 s ARG 164 CO 0.52 -0.02 0.00 -0.40 0.02 0.00 0.00 175.30 175.43 1xy3 n ASP 165 N 4.00 0.00 0.00 0.23 5.68 -1.26 -5.01 116.55 120.19 1xy3 n ASP 165 Ca -0.21 -0.97 0.01 0.00 -0.50 0.00 0.00 54.79 53.12 1xy3 n ASP 165 Cb 0.51 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.55 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 0.21 -0.01 0.11 0.00 -1.26 -1.09 120.64 118.60 1xy3 n GLU 166 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1xy3 n GLU 166 Cb 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 31.44 30.32 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 -0.63 0.02 -4.25 -1.84 4.01 -1.26 -5.03 117.16 108.18 1xy3 n TYR 167 Ca 0.01 -0.39 -0.33 0.00 -0.16 0.00 0.00 57.90 57.02 1xy3 n TYR 167 Cb 0.01 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 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 -0.80 4.38 0.00 -0.72 2.01 -0.25 -4.94 115.64 115.32 1xy3 s THR 168 Ca 0.01 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.58 1xy3 s THR 168 Cb 0.01 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.58 1xy3 s THR 168 CO 0.01 0.44 0.00 0.35 -0.69 0.00 0.00 174.62 174.73 1xy3 n THR 169 N 1.56 0.00 -1.69 -0.82 -2.24 -1.26 -4.87 114.28 104.96 1xy3 n THR 169 Ca -0.15 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.18 1xy3 n THR 169 Cb 0.53 0.00 -0.03 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 -0.06 3.39 -4.79 3.22 7.94 -1.26 -4.97 117.00 120.46 1xy3 n LEU 170 Ca 0.00 1.13 -0.37 0.00 -1.11 0.00 0.00 56.01 55.66 1xy3 n LEU 170 Cb 0.00 -1.47 -0.06 0.00 0.53 0.00 0.00 43.42 42.42 1xy3 n LEU 170 CO 0.00 -0.31 0.02 -0.54 -1.11 0.00 0.00 177.39 175.45 1xy3 s LYS 171 N -0.18 4.02 0.73 1.96 1.02 -1.26 -5.06 119.74 120.97 1xy3 s LYS 171 Ca 0.69 0.21 -0.16 0.00 0.02 0.00 0.00 55.97 56.73 1xy3 s LYS 171 Cb -0.62 -3.32 0.03 0.00 -0.52 0.00 0.00 37.83 33.41 1xy3 s LYS 171 CO 0.47 0.48 1.23 0.39 -0.92 0.00 0.00 175.35 177.00 1xy3 n GLU 172 N 2.71 0.64 -3.86 1.68 1.02 -1.26 -5.02 120.64 116.55 1xy3 n GLU 172 Ca -0.13 0.29 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 1xy3 n GLU 172 Cb 0.52 -2.47 -0.10 0.00 -0.02 0.00 0.00 31.44 29.38 1xy3 n GLU 172 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1xy3 s THR 173 N -1.75 0.08 -0.86 2.62 -1.32 -0.82 -5.01 115.64 108.57 1xy3 s THR 173 Ca 0.78 -0.63 0.09 0.00 -1.21 0.00 0.00 61.69 60.72 1xy3 s THR 173 Cb -0.34 -0.43 -0.00 0.00 -1.51 0.00 0.00 72.50 70.22 1xy3 s THR 173 CO 0.46 -0.35 0.61 0.79 -2.21 0.00 0.00 174.62 173.92 1xy3 n TRP 174 N 1.54 0.00 -3.72 9.09 8.01 -1.26 -1.35 117.44 129.75 1xy3 n TRP 174 Ca -0.22 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 55.85 1xy3 n TRP 174 Cb 0.56 0.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.73 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 -1.29 -0.19 0.14 -0.99 2.15 -1.24 -4.47 116.67 110.78 1xy3 s ASP 175 Ca 0.08 0.54 -0.25 0.00 0.43 0.00 0.00 52.55 53.35 1xy3 s ASP 175 Cb 0.08 0.45 0.07 0.00 -0.30 0.00 0.00 42.92 43.22 1xy3 s ASP 175 CO 0.23 -0.18 0.98 0.00 -0.17 0.00 0.00 175.17 176.04 1xy3 s ARG 176 N 1.41 1.13 -0.01 4.34 1.70 -0.85 -4.98 118.95 121.69 1xy3 s ARG 176 Ca -0.08 -0.62 -0.21 0.00 -0.47 0.00 0.00 55.73 54.35 1xy3 s ARG 176 Cb -0.11 0.39 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 1xy3 s ARG 176 CO -0.09 -0.52 0.63 0.42 -1.08 0.00 0.00 175.30 174.67 1xy3 s ILE 177 N -3.22 4.91 -0.26 4.99 1.01 -1.26 -4.05 121.20 123.31 1xy3 s ILE 177 Ca 0.12 1.32 0.03 0.00 0.00 0.00 0.00 60.65 62.12 1xy3 s ILE 177 Cb -0.01 -3.97 0.06 0.00 0.01 0.00 0.00 42.46 38.55 1xy3 s ILE 177 CO 0.01 0.39 -0.10 -0.22 0.00 0.00 0.00 174.94 175.02 1xy3 s LEU 178 N -0.03 3.42 0.06 2.97 2.96 -0.70 -4.83 118.68 122.54 1xy3 s LEU 178 Ca 0.33 -1.41 0.07 0.00 -0.22 0.00 0.00 54.13 52.90 1xy3 s LEU 178 Cb -0.18 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1xy3 s LEU 178 CO 0.18 -0.20 -0.19 -0.55 -1.32 0.00 0.00 176.35 174.27 1xy3 s SER 179 N 1.12 2.27 -0.08 3.68 0.15 -1.26 -1.28 113.70 118.29 1xy3 s SER 179 Ca -0.08 -0.56 -0.32 0.00 0.70 0.00 0.00 55.95 55.69 1xy3 s SER 179 Cb -0.20 -0.16 0.12 0.00 -1.71 0.00 0.00 66.02 64.07 1xy3 s SER 179 CO -0.05 0.09 1.07 0.28 1.20 0.00 0.00 173.24 175.83 1xy3 s THR 180 N -0.93 0.00 -0.08 6.45 -1.32 -0.75 -1.08 115.64 117.92 1xy3 s THR 180 Ca 0.05 -0.05 -0.05 0.00 -1.21 0.00 0.00 61.69 60.44 1xy3 s THR 180 Cb -0.09 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 1xy3 s THR 180 CO 0.02 0.00 0.13 -1.81 -2.21 0.00 0.00 174.62 170.75 1xy3 s ASP 181 N -2.39 6.17 -0.21 8.08 1.01 -1.22 -1.38 116.67 126.72 1xy3 s ASP 181 Ca 0.08 0.37 -0.05 0.00 0.71 0.00 0.00 52.55 53.66 1xy3 s ASP 181 Cb -0.01 -1.93 -0.02 0.00 1.01 0.00 0.00 42.92 41.97 1xy3 s ASP 181 CO -0.06 0.36 0.01 -0.69 0.21 0.00 0.00 175.17 174.99 1xy3 s VAL 182 N -1.09 3.95 -0.30 -1.27 1.01 0.29 -3.73 120.40 119.26 1xy3 s VAL 182 Ca 0.18 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1xy3 s VAL 182 Cb -0.12 -2.80 0.08 0.00 0.00 0.00 0.00 36.38 33.54 1xy3 s VAL 182 CO 0.08 0.42 -0.02 -0.62 0.00 0.00 0.00 175.10 174.95 1xy3 s ASP 183 N 1.12 4.65 -0.09 3.32 -1.08 -1.12 -3.56 116.67 119.92 1xy3 s ASP 183 Ca 0.03 -1.72 0.04 0.00 -0.52 0.00 0.00 52.55 50.38 1xy3 s ASP 183 Cb -0.14 -1.61 -0.00 0.00 -1.46 0.00 0.00 42.92 39.70 1xy3 s ASP 183 CO 0.01 -0.29 -0.24 0.00 0.52 0.00 0.00 175.17 175.18 1xy3 s ALA 184 N 1.04 2.20 -0.07 3.66 0.00 -0.58 -1.14 121.76 126.87 1xy3 s ALA 184 Ca -0.00 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1xy3 s ALA 184 Cb -0.20 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.15 1xy3 s ALA 184 CO -0.06 0.33 -0.07 0.99 0.00 0.00 0.00 175.76 176.95 1xy3 s THR 185 N 0.18 0.80 -0.17 0.00 2.01 0.56 -1.07 115.64 117.94 1xy3 s THR 185 Ca -0.14 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 1xy3 s THR 185 Cb -0.17 -0.82 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 1xy3 s THR 185 CO 0.07 0.30 -0.12 -1.66 -0.69 0.00 0.00 174.62 172.52 1xy3 s TRP 186 N 1.26 2.84 -0.22 4.92 -2.14 0.13 -0.01 118.94 125.73 1xy3 s TRP 186 Ca -0.05 -1.02 -0.20 0.00 2.66 0.00 0.00 56.10 57.50 1xy3 s TRP 186 Cb -0.14 -1.95 -0.03 0.00 -3.10 0.00 0.00 33.47 28.26 1xy3 s TRP 186 CO -0.02 -0.49 0.59 -1.14 -2.66 0.00 0.00 176.95 173.22 1xy3 s GLN 187 N 0.99 4.17 0.44 3.25 0.74 -0.32 -1.42 119.66 127.51 1xy3 s GLN 187 Ca -0.02 0.52 -0.19 0.00 0.05 0.00 0.00 55.36 55.72 1xy3 s GLN 187 Cb -0.15 -3.60 -0.10 0.00 1.10 0.00 0.00 33.01 30.27 1xy3 s GLN 187 CO -0.02 -0.26 0.94 -1.58 -0.55 0.00 0.00 175.29 173.82 1xy3 s TRP 188 N 2.00 3.35 0.42 1.67 0.52 -0.83 -0.21 118.94 125.86 1xy3 s TRP 188 Ca 0.26 1.54 -0.26 0.00 0.02 0.00 0.00 56.10 57.66 1xy3 s TRP 188 Cb -0.16 -2.81 -0.09 0.00 -1.15 0.00 0.00 33.47 29.27 1xy3 s TRP 188 CO 0.10 -0.16 1.41 0.21 0.02 0.00 0.00 176.95 178.52 1xy3 s LYS 189 N -3.39 3.89 0.20 4.98 2.20 -0.22 -4.51 119.74 122.90 1xy3 s LYS 189 Ca 0.61 2.38 -0.32 0.00 -0.36 0.00 0.00 55.97 58.28 1xy3 s LYS 189 Cb -0.09 -2.78 -0.15 0.00 -1.51 0.00 0.00 37.83 33.30 1xy3 s LYS 189 CO 0.18 -0.64 1.16 -1.71 -0.36 0.00 0.00 175.35 173.98 1xy3 n ASN 190 N 0.10 1.49 -4.75 1.43 2.85 -1.26 -4.85 115.26 110.27 1xy3 n ASN 190 Ca 0.03 1.15 -0.36 0.00 -0.11 0.00 0.00 54.58 55.30 1xy3 n ASN 190 Cb 0.42 -1.26 -0.08 0.00 1.24 0.00 0.00 39.78 40.10 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 -0.35 3.32 0.21 1.20 0.08 -0.29 -4.94 117.98 117.21 1xy3 s PHE 191 Ca 0.69 0.32 -0.06 0.00 0.12 0.00 0.00 56.93 58.00 1xy3 s PHE 191 Cb -0.80 -1.85 0.17 0.00 -0.57 0.00 0.00 43.02 39.97 1xy3 s PHE 191 CO 0.53 0.57 1.65 0.66 -0.10 0.00 0.00 175.22 178.53 1xy3 h SER 192 N 5.10 0.88 -0.44 1.36 4.64 -1.92 0.90 113.55 124.07 1xy3 h SER 192 Ca -0.52 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 1xy3 h SER 192 Cb 1.21 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1xy3 h SER 192 CO 0.56 1.01 0.00 0.61 -0.87 0.00 0.00 176.83 178.14 1xy3 n GLY 193 N -0.35 1.38 0.29 -0.77 0.00 -1.26 -4.20 105.19 100.28 1xy3 n GLY 193 Ca 0.01 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 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 0.81 -0.72 0.99 6.46 -1.94 -2.79 115.31 118.11 1xy3 h LEU 194 Ca 0.00 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1xy3 h LEU 194 Cb 0.00 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.68 1xy3 h LEU 194 CO 0.00 0.88 0.43 -0.61 -0.62 0.00 0.00 178.44 178.52 1xy3 h GLN 195 N 0.78 0.98 -0.26 1.25 4.15 -1.99 0.25 115.11 120.26 1xy3 h GLN 195 Ca 0.15 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 1xy3 h GLN 195 Cb 0.48 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1xy3 h GLN 195 CO 0.02 0.70 0.02 1.49 -1.93 0.00 0.00 178.83 179.13 1xy3 h GLU 196 N 0.98 0.45 -0.09 1.69 4.81 -1.94 -2.21 114.58 118.27 1xy3 h GLU 196 Ca 0.26 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1xy3 h GLU 196 Cb -0.02 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1xy3 h GLU 196 CO -0.05 0.59 -0.09 0.28 -0.73 0.00 0.00 179.01 179.02 1xy3 h VAL 197 N 0.24 0.75 -1.00 0.32 2.07 -1.27 -2.10 116.25 115.27 1xy3 h VAL 197 Ca 0.08 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.81 1xy3 h VAL 197 Cb 0.38 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 1xy3 h VAL 197 CO 0.01 0.00 0.62 0.03 0.02 0.00 0.00 177.57 178.24 1xy3 h ARG 198 N -0.11 0.63 0.00 1.57 3.08 -0.79 -0.27 114.38 118.50 1xy3 h ARG 198 Ca 0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1xy3 h ARG 198 Cb 0.20 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1xy3 h ARG 198 CO -0.15 0.42 0.00 0.66 -1.07 0.00 0.00 179.97 179.83 1xy3 h SER 199 N 0.65 0.00 -0.33 7.04 4.64 -0.74 -3.06 113.55 121.75 1xy3 h SER 199 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1xy3 h SER 199 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1xy3 h SER 199 CO -0.37 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.00 1xy3 n HIS 200 N -2.71 0.44 -0.32 4.77 8.25 -0.13 -4.74 115.22 120.78 1xy3 n HIS 200 Ca 0.01 -0.37 0.16 0.00 -0.26 0.00 0.00 57.72 57.27 1xy3 n HIS 200 Cb 0.28 -0.02 0.32 0.00 1.12 0.00 0.00 29.99 31.70 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 0.80 -0.39 0.25 1.59 0.31 -1.11 -0.11 118.33 119.67 1xy3 n VAL 201 Ca 0.13 2.03 0.08 0.00 -0.01 0.00 0.00 64.34 66.57 1xy3 n VAL 201 Cb 0.44 -3.01 0.62 0.00 -0.91 0.00 0.00 33.84 30.99 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 0.02 -0.37 5.55 0.11 -1.87 -2.85 132.00 132.59 1xy3 h PRO 202 Ca 0.60 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.63 1xy3 h PRO 202 Cb 1.31 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 1xy3 h PRO 202 CO -0.85 0.03 -0.12 0.87 -0.21 0.00 0.00 178.00 177.72 1xy3 h LYS 203 N 0.03 0.64 0.12 1.05 1.57 -0.89 -3.29 116.57 115.79 1xy3 h LYS 203 Ca 0.01 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1xy3 h LYS 203 Cb 0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1xy3 h LYS 203 CO -0.00 0.74 -0.14 0.74 -0.57 0.00 0.00 179.45 180.23 1xy3 h PHE 204 N 0.59 -0.38 -1.00 -1.35 0.04 -1.59 0.23 116.94 113.48 1xy3 h PHE 204 Ca 0.10 0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.00 1xy3 h PHE 204 Cb 0.54 0.15 -0.09 0.00 2.20 0.00 0.00 35.95 38.76 1xy3 h PHE 204 CO 0.02 -0.18 0.62 -0.44 -0.60 0.00 0.00 178.31 177.74 1xy3 h ASP 205 N -0.26 0.90 -0.14 2.17 3.32 -1.75 -1.83 116.42 118.83 1xy3 h ASP 205 Ca -0.01 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1xy3 h ASP 205 Cb 0.23 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1xy3 h ASP 205 CO -0.03 0.47 0.06 0.00 -1.72 0.00 0.00 179.24 178.02 1xy3 h ALA 206 N 1.55 0.18 -0.56 3.45 0.00 -1.59 -1.91 119.26 120.38 1xy3 h ALA 206 Ca 0.50 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1xy3 h ALA 206 Cb 0.53 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xy3 h ALA 206 CO -0.28 -0.25 0.17 1.15 0.00 0.00 0.00 179.25 180.05 1xy3 h THR 207 N 0.09 1.22 0.39 0.00 2.02 -0.01 -0.51 112.91 116.11 1xy3 h THR 207 Ca 0.05 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1xy3 h THR 207 Cb 0.14 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1xy3 h THR 207 CO -0.01 0.29 -0.19 -0.25 0.37 0.00 0.00 175.52 175.73 1xy3 h TRP 208 N 0.82 -0.49 -0.92 3.16 7.01 -1.19 0.13 115.95 124.47 1xy3 h TRP 208 Ca 0.19 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.34 1xy3 h TRP 208 Cb 0.24 0.16 -0.08 0.00 -2.10 0.00 0.00 29.16 27.39 1xy3 h TRP 208 CO 0.01 -0.23 0.59 0.00 -2.79 0.00 0.00 178.44 176.02 1xy3 h ALA 209 N -0.10 1.87 -0.39 2.65 0.00 -1.13 0.90 119.26 123.07 1xy3 h ALA 209 Ca -0.05 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1xy3 h ALA 209 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xy3 h ALA 209 CO 0.09 -0.15 0.04 1.15 0.00 0.00 0.00 179.25 180.38 1xy3 h THR 210 N 0.66 1.25 -0.70 0.00 2.02 -0.62 -1.34 112.91 114.17 1xy3 h THR 210 Ca 0.48 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 1xy3 h THR 210 Cb 0.84 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1xy3 h THR 210 CO -0.23 0.31 0.29 0.00 0.37 0.00 0.00 175.52 176.26 1xy3 h ALA 211 N 0.90 0.91 -0.09 6.16 0.00 0.16 -1.33 119.26 125.97 1xy3 h ALA 211 Ca 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xy3 h ALA 211 Cb 0.40 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xy3 h ALA 211 CO 0.01 0.52 -0.00 -0.09 0.00 0.00 0.00 179.25 179.69 1xy3 h ARG 212 N 0.99 0.16 -0.70 0.00 2.43 -0.99 -2.32 114.38 113.95 1xy3 h ARG 212 Ca 0.24 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1xy3 h ARG 212 Cb 0.19 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1xy3 h ARG 212 CO -0.02 0.43 0.36 1.49 -1.51 0.00 0.00 179.97 180.71 1xy3 h GLU 213 N -0.12 1.00 -0.50 0.20 4.81 -1.15 -1.85 114.58 116.97 1xy3 h GLU 213 Ca 0.03 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1xy3 h GLU 213 Cb 0.36 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1xy3 h GLU 213 CO 0.01 0.77 0.14 0.28 -0.73 0.00 0.00 179.01 179.48 1xy3 h VAL 214 N 0.98 1.23 0.50 0.32 2.07 -1.25 -1.61 116.25 118.48 1xy3 h VAL 214 Ca 0.24 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1xy3 h VAL 214 Cb 0.09 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1xy3 h VAL 214 CO -0.03 0.29 -0.24 0.74 0.02 0.00 0.00 177.57 178.35 1xy3 h THR 215 N 0.68 0.51 0.43 2.57 2.02 -1.18 -0.88 112.91 117.06 1xy3 h THR 215 Ca 0.16 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1xy3 h THR 215 Cb 0.30 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1xy3 h THR 215 CO -0.00 0.01 -0.39 -0.07 0.37 0.00 0.00 175.52 175.44 1xy3 h LEU 216 N -0.72 -1.05 -0.25 2.58 4.07 -1.34 -1.17 115.31 117.43 1xy3 h LEU 216 Ca -0.07 0.09 0.06 0.00 0.08 0.00 0.00 57.88 58.04 1xy3 h LEU 216 Cb 0.53 0.35 -0.06 0.00 1.08 0.00 0.00 40.66 42.56 1xy3 h LEU 216 CO 0.11 -0.55 -0.17 0.50 -1.08 0.00 0.00 178.44 177.25 1xy3 h LYS 217 N -0.83 -0.15 -0.78 1.13 3.64 -1.30 0.18 116.57 118.45 1xy3 h LYS 217 Ca -0.04 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1xy3 h LYS 217 Cb 0.73 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 1xy3 h LYS 217 CO -0.04 -0.10 0.46 1.15 -2.27 0.00 0.00 179.45 178.65 1xy3 h THR 218 N -0.16 1.22 0.26 1.00 2.02 -1.12 -0.61 112.91 115.53 1xy3 h THR 218 Ca 0.14 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1xy3 h THR 218 Cb 0.37 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1xy3 h THR 218 CO -0.35 0.24 -0.13 0.15 0.37 0.00 0.00 175.52 175.81 1xy3 h PHE 219 N 1.08 -0.33 -0.35 3.16 3.57 -0.58 -0.97 116.94 122.52 1xy3 h PHE 219 Ca 0.28 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1xy3 h PHE 219 Cb -0.02 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1xy3 h PHE 219 CO -0.00 -0.15 0.18 0.00 -2.23 0.00 0.00 178.31 176.11 1xy3 h ALA 220 N 0.29 0.44 0.00 2.41 0.00 -0.83 -3.28 119.26 118.28 1xy3 h ALA 220 Ca -0.04 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1xy3 h ALA 220 Cb 0.33 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1xy3 h ALA 220 CO 0.06 -0.01 -0.91 0.93 0.00 0.00 0.00 179.25 179.32 1xy3 h GLU 221 N 0.43 0.00 -6.25 0.00 5.08 -1.14 -3.46 114.58 109.24 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 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1xy3 h GLU 221 CO -0.02 0.91 1.04 0.34 -1.00 0.00 0.00 179.01 180.29 1xy3 s ASP 222 N -6.67 6.63 -0.98 1.42 2.15 -0.37 -4.95 116.67 113.91 1xy3 s ASP 222 Ca 0.02 1.76 -0.16 0.00 0.43 0.00 0.00 52.55 54.59 1xy3 s ASP 222 Cb 0.10 -2.53 0.17 0.00 -0.30 0.00 0.00 42.92 40.35 1xy3 s ASP 222 CO 0.81 -1.02 1.11 0.21 -0.17 0.00 0.00 175.17 176.10 1xy3 s ASN 223 N 3.27 6.80 0.69 -0.34 3.84 -1.26 -4.85 114.94 123.09 1xy3 s ASN 223 Ca 0.66 -2.49 -0.00 0.00 0.21 0.00 0.00 52.86 51.24 1xy3 s ASN 223 Cb -0.25 -2.34 0.11 0.00 -0.55 0.00 0.00 41.25 38.21 1xy3 s ASN 223 CO 0.25 -0.83 0.95 -0.94 -2.79 0.00 0.00 177.10 173.74 1xy3 s SER 224 N 2.98 4.53 0.00 -4.21 1.04 -1.24 -4.95 113.70 111.85 1xy3 s SER 224 Ca 0.31 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1xy3 s SER 224 Cb -0.06 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1xy3 s SER 224 CO -0.07 -1.72 0.05 0.00 0.98 0.00 0.00 173.24 172.47 1xy3 n ALA 225 N -2.74 0.18 -3.43 5.32 0.00 -1.24 -0.59 120.51 118.01 1xy3 n ALA 225 Ca 0.14 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 1xy3 n ALA 225 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 1.19 0.47 0.00 0.15 -1.26 -4.49 113.70 109.76 1xy3 s SER 226 Ca 0.00 -0.27 0.12 0.00 0.70 0.00 0.00 55.95 56.51 1xy3 s SER 226 Cb 0.00 0.60 1.10 0.00 -1.71 0.00 0.00 66.02 66.01 1xy3 s SER 226 CO 0.00 -0.34 2.11 0.58 1.20 0.00 0.00 173.24 176.79 1xy3 h VAL 227 N 6.27 1.04 -0.22 4.45 2.07 -1.95 -1.55 116.25 126.35 1xy3 h VAL 227 Ca -0.17 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1xy3 h VAL 227 Cb 1.13 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1xy3 h VAL 227 CO 0.30 0.04 0.13 1.56 0.02 0.00 0.00 177.57 179.61 1xy3 h GLN 228 N 0.23 0.31 -0.31 1.57 7.50 -1.99 -1.31 115.11 121.11 1xy3 h GLN 228 Ca 0.06 -0.03 -0.07 0.00 0.50 0.00 0.00 58.65 59.11 1xy3 h GLN 228 Cb -0.03 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.43 1xy3 h GLN 228 CO -0.01 0.27 -0.09 0.00 -1.50 0.00 0.00 178.83 177.50 1xy3 h ALA 229 N 1.02 1.26 -0.24 3.87 0.00 -1.74 -1.45 119.26 121.97 1xy3 h ALA 229 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1xy3 h ALA 229 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xy3 h ALA 229 CO -0.01 0.49 0.09 1.15 0.00 0.00 0.00 179.25 180.97 1xy3 h THR 230 N 0.48 1.17 0.00 0.00 2.02 -0.90 -2.04 112.91 113.65 1xy3 h THR 230 Ca 0.09 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 1xy3 h THR 230 Cb 0.46 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1xy3 h THR 230 CO 0.03 0.18 -0.34 0.00 0.37 0.00 0.00 175.52 175.75 1xy3 h MET 231 N 0.24 0.00 -0.42 6.66 -0.00 -1.04 -2.58 114.93 117.79 1xy3 h MET 231 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.66 1xy3 h MET 231 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 1xy3 h MET 231 CO -0.01 0.34 -0.22 -0.92 -0.00 0.00 0.00 176.91 176.10 1xy3 h TYR 232 N 0.00 0.96 -0.16 -0.10 3.20 -0.99 -1.28 116.97 118.60 1xy3 h TYR 232 Ca -0.00 -0.22 -0.07 0.00 3.14 0.00 0.00 58.73 61.57 1xy3 h TYR 232 Cb 0.83 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1xy3 h TYR 232 CO 0.00 0.98 -0.21 0.87 -1.64 0.00 0.00 178.16 178.16 1xy3 h LYS 233 N 0.73 0.28 -0.35 1.82 1.57 -1.10 -1.89 116.57 117.64 1xy3 h LYS 233 Ca 0.10 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 1xy3 h LYS 233 Cb 0.75 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1xy3 h LYS 233 CO 0.06 0.48 -0.39 0.52 -0.57 0.00 0.00 179.45 179.55 1xy3 h MET 234 N 0.25 0.84 -0.13 3.15 2.86 -1.02 -2.90 114.93 117.98 1xy3 h MET 234 Ca 0.04 -0.44 -0.17 0.00 -2.06 0.00 0.00 59.70 57.07 1xy3 h MET 234 Cb 0.52 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1xy3 h MET 234 CO 0.03 1.08 -0.65 0.00 1.06 0.00 0.00 176.91 178.44 1xy3 h ALA 235 N 0.86 0.63 0.34 6.32 0.00 -0.95 -3.03 119.26 123.42 1xy3 h ALA 235 Ca 0.06 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1xy3 h ALA 235 Cb 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1xy3 h ALA 235 CO 0.09 0.72 -0.16 0.93 0.00 0.00 0.00 179.25 180.83 1xy3 h GLU 236 N 0.36 -0.44 -0.96 0.00 5.08 -1.33 -1.29 114.58 116.01 1xy3 h GLU 236 Ca -0.01 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1xy3 h GLU 236 Cb 1.21 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 1xy3 h GLU 236 CO 0.12 -0.28 0.60 1.96 -1.00 0.00 0.00 179.01 180.41 1xy3 h GLN 237 N -0.47 1.03 -0.01 2.33 4.20 -1.57 -0.64 115.11 119.98 1xy3 h GLN 237 Ca -0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1xy3 h GLN 237 Cb 0.36 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1xy3 h GLN 237 CO 0.08 0.68 -0.00 0.82 -0.67 0.00 0.00 178.83 179.73 1xy3 h ILE 238 N 1.06 1.28 -0.74 2.54 2.04 -1.39 -2.07 117.51 120.22 1xy3 h ILE 238 Ca 0.43 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.53 1xy3 h ILE 238 Cb 0.26 1.82 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 1xy3 h ILE 238 CO -0.20 0.21 0.49 -0.07 0.00 0.00 0.00 178.15 178.58 1xy3 h LEU 239 N -0.32 0.70 -0.63 1.44 3.38 -0.95 -2.24 115.31 116.69 1xy3 h LEU 239 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1xy3 h LEU 239 Cb 0.35 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1xy3 h LEU 239 CO 0.00 0.46 -0.56 0.00 0.09 0.00 0.00 178.44 178.43 1xy3 h ALA 240 N 1.59 0.81 0.00 1.53 0.00 -1.00 -3.23 119.26 118.97 1xy3 h ALA 240 Ca 0.32 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xy3 h ALA 240 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xy3 h ALA 240 CO -0.10 0.70 -0.37 0.54 0.00 0.00 0.00 179.25 180.01 1xy3 n ARG 241 N -3.93 0.21 -3.65 0.00 1.74 -0.79 -4.71 116.66 105.53 1xy3 n ARG 241 Ca -0.03 0.10 -0.27 0.00 -0.77 0.00 0.00 57.85 56.88 1xy3 n ARG 241 Cb 0.60 -1.67 -0.16 0.00 -1.02 0.00 0.00 32.46 30.20 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 -3.11 0.31 0.29 5.56 2.00 -0.92 -5.02 119.66 118.78 1xy3 s GLN 242 Ca 0.09 -0.34 0.05 0.00 -2.00 0.00 0.00 55.36 53.16 1xy3 s GLN 242 Cb 0.14 -1.81 0.43 0.00 0.80 0.00 0.00 33.01 32.58 1xy3 s GLN 242 CO 0.66 -0.75 1.70 0.37 -0.50 0.00 0.00 175.29 176.78 1xy3 h GLN 243 N 8.34 0.31 0.00 1.67 5.75 -1.84 -3.10 115.11 126.24 1xy3 h GLN 243 Ca -0.16 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 1xy3 h GLN 243 Cb 1.11 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.65 1xy3 h GLN 243 CO 0.34 0.65 -0.05 -0.07 -2.65 0.00 0.00 178.83 177.05 1xy3 h LEU 244 N 0.27 0.00 -9.86 -2.39 -0.00 -1.95 -3.44 115.31 97.94 1xy3 h LEU 244 Ca 0.03 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.40 1xy3 h LEU 244 Cb 0.79 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.48 1xy3 h LEU 244 CO 0.06 0.05 0.51 -0.63 -0.00 0.00 0.00 178.44 178.43 1xy3 s ILE 245 N -3.98 3.26 -0.20 1.22 -1.09 -1.17 -1.06 121.20 118.18 1xy3 s ILE 245 Ca -0.02 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 1xy3 s ILE 245 Cb 0.12 -3.74 -0.13 0.00 -1.58 0.00 0.00 42.46 37.13 1xy3 s ILE 245 CO 0.52 0.24 -0.19 -0.62 -1.23 0.00 0.00 174.94 173.66 1xy3 n GLU 246 N 0.78 0.50 -3.87 2.79 1.02 0.70 -4.83 120.64 117.73 1xy3 n GLU 246 Ca 0.01 0.13 -0.11 0.00 -0.02 0.00 0.00 57.16 57.16 1xy3 n GLU 246 Cb 0.45 -1.39 -0.09 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.40 0.10 -0.07 2.62 -4.23 -1.22 -4.03 115.64 106.41 1xy3 s THR 247 Ca -0.27 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 59.47 1xy3 s THR 247 Cb 0.07 -0.63 -0.00 0.00 1.34 0.00 0.00 72.50 73.28 1xy3 s THR 247 CO 0.45 -0.45 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.20 1xy3 s VAL 248 N -1.88 1.68 -0.07 2.29 1.01 -0.17 -1.17 120.40 122.09 1xy3 s VAL 248 Ca -0.11 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1xy3 s VAL 248 Cb -0.05 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1xy3 s VAL 248 CO -0.01 0.48 -0.17 -0.70 0.00 0.00 0.00 175.10 174.70 1xy3 s GLU 249 N 0.23 2.13 0.10 2.72 2.12 0.99 -0.25 118.70 126.75 1xy3 s GLU 249 Ca -0.11 -0.61 0.10 0.00 0.36 0.00 0.00 54.97 54.71 1xy3 s GLU 249 Cb -0.15 -1.72 -0.04 0.00 0.26 0.00 0.00 34.13 32.48 1xy3 s GLU 249 CO 0.05 0.14 -0.24 0.71 -0.54 0.00 0.00 175.26 175.38 1xy3 s TYR 250 N 0.38 2.40 -0.23 5.30 2.02 0.64 -0.33 117.35 127.54 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 -0.15 -1.32 0.09 0.00 -0.40 0.00 0.00 41.96 40.17 1xy3 s TYR 250 CO 0.05 0.31 0.15 0.45 -1.57 0.00 0.00 175.55 174.94 1xy3 s SER 251 N -1.87 2.41 -0.35 2.29 0.15 -0.29 -0.75 113.70 115.28 1xy3 s SER 251 Ca 0.15 -0.74 -0.04 0.00 0.70 0.00 0.00 55.95 56.01 1xy3 s SER 251 Cb -0.10 -0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.22 1xy3 s SER 251 CO 0.06 -0.38 0.10 -0.76 1.20 0.00 0.00 173.24 173.47 1xy3 s LEU 252 N 2.19 4.44 -0.57 3.45 1.43 0.02 -2.78 118.68 126.87 1xy3 s LEU 252 Ca 0.06 -1.44 -0.23 0.00 -1.03 0.00 0.00 54.13 51.48 1xy3 s LEU 252 Cb -0.16 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.31 1xy3 s LEU 252 CO -0.21 -0.37 0.92 -2.16 0.23 0.00 0.00 176.35 174.76 1xy3 s PRO 253 N 1.28 3.26 0.34 1.29 0.05 -1.24 -1.88 135.00 138.09 1xy3 s PRO 253 Ca -0.00 -0.46 -0.29 0.00 0.05 0.00 0.00 61.00 60.30 1xy3 s PRO 253 Cb -0.21 -4.10 -0.11 0.00 0.05 0.00 0.00 34.50 30.14 1xy3 s PRO 253 CO -0.01 -1.54 1.47 -0.80 0.05 0.00 0.00 177.00 176.18 1xy3 s ASN 254 N 3.03 6.45 -0.23 6.66 0.01 0.19 -3.42 114.94 127.63 1xy3 s ASN 254 Ca 0.27 2.93 -0.02 0.00 -0.71 0.00 0.00 52.86 55.33 1xy3 s ASN 254 Cb -0.14 -2.65 0.02 0.00 0.41 0.00 0.00 41.25 38.88 1xy3 s ASN 254 CO 0.16 -0.81 -0.08 -0.54 -1.51 0.00 0.00 177.10 174.33 1xy3 s LYS 255 N -1.54 2.95 0.15 -0.60 1.02 -0.25 -3.49 119.74 117.98 1xy3 s LYS 255 Ca 0.55 -0.90 -0.21 0.00 0.02 0.00 0.00 55.97 55.43 1xy3 s LYS 255 Cb -0.45 -2.93 -0.08 0.00 -0.52 0.00 0.00 37.83 33.85 1xy3 s LYS 255 CO 0.56 -0.34 0.68 -1.01 -0.92 0.00 0.00 175.35 174.32 1xy3 s HIS 256 N 1.35 3.79 -0.19 3.18 3.76 -1.26 -4.03 115.29 121.88 1xy3 s HIS 256 Ca 0.02 1.41 0.01 0.00 -0.15 0.00 0.00 55.06 56.34 1xy3 s HIS 256 Cb -0.16 -2.61 0.04 0.00 1.11 0.00 0.00 32.58 30.96 1xy3 s HIS 256 CO -0.05 0.49 -0.11 0.71 -0.85 0.00 0.00 174.74 174.93 1xy3 s TYR 257 N -1.25 2.38 0.18 1.40 1.51 -1.26 -0.68 117.35 119.62 1xy3 s TYR 257 Ca 0.35 -1.54 -0.12 0.00 -1.01 0.00 0.00 57.07 54.76 1xy3 s TYR 257 Cb -0.20 -1.63 -0.07 0.00 -0.11 0.00 0.00 41.96 39.95 1xy3 s TYR 257 CO 0.22 -0.73 0.54 -0.06 -1.11 0.00 0.00 175.55 174.40 1xy3 s PHE 258 N 1.41 3.52 0.33 2.71 0.40 -0.85 -4.87 117.98 120.63 1xy3 s PHE 258 Ca -0.00 0.95 -0.24 0.00 -0.60 0.00 0.00 56.93 57.04 1xy3 s PHE 258 Cb -0.16 -2.30 -0.10 0.00 0.51 0.00 0.00 43.02 40.97 1xy3 s PHE 258 CO -0.09 0.37 0.92 -1.21 0.70 0.00 0.00 175.22 175.91 1xy3 s GLU 259 N -2.34 4.48 -0.24 0.44 2.02 -1.26 -1.15 118.70 120.65 1xy3 s GLU 259 Ca 0.42 1.23 -0.02 0.00 0.02 0.00 0.00 54.97 56.61 1xy3 s GLU 259 Cb -0.13 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.41 1xy3 s GLU 259 CO 0.20 0.24 -0.06 0.42 0.02 0.00 0.00 175.26 176.08 1xy3 s ILE 260 N -1.71 3.00 -0.42 -1.63 1.01 -1.25 -4.88 121.20 115.33 1xy3 s ILE 260 Ca 0.51 -0.87 -0.27 0.00 0.00 0.00 0.00 60.65 60.03 1xy3 s ILE 260 Cb -0.17 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.86 1xy3 s ILE 260 CO 0.22 0.27 0.98 -0.62 0.00 0.00 0.00 174.94 175.79 1xy3 s ASP 261 N 1.37 6.63 -0.03 3.58 2.15 -1.26 -4.57 116.67 124.54 1xy3 s ASP 261 Ca 0.02 0.43 0.12 0.00 0.43 0.00 0.00 52.55 53.56 1xy3 s ASP 261 Cb -0.16 -2.48 0.36 0.00 -0.30 0.00 0.00 42.92 40.34 1xy3 s ASP 261 CO -0.04 -1.01 1.30 0.18 -0.17 0.00 0.00 175.17 175.43 1xy3 n LEU 262 N 7.14 3.14 0.17 -1.34 4.77 -1.26 -4.66 117.00 124.97 1xy3 n LEU 262 Ca 0.08 -2.16 0.18 0.00 -0.03 0.00 0.00 56.01 54.08 1xy3 n LEU 262 Cb 0.48 -0.29 0.80 0.00 -2.33 0.00 0.00 43.42 42.08 1xy3 n LEU 262 CO 0.63 0.73 1.16 0.77 -1.33 0.00 0.00 177.39 179.35 1xy3 h SER 263 N 2.11 0.00 0.49 -1.43 4.64 -1.72 0.10 113.55 117.75 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 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1xy3 h SER 263 CO 0.04 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.33 1xy3 n TRP 264 N -3.80 0.76 -3.64 4.77 4.27 -1.26 -2.28 117.44 116.26 1xy3 n TRP 264 Ca 0.03 0.33 -0.37 0.00 -3.89 0.00 0.00 57.50 53.60 1xy3 n TRP 264 Cb 0.40 -1.03 -0.07 0.00 -1.36 0.00 0.00 31.31 29.25 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 -3.38 3.66 -1.13 -2.67 5.04 0.35 -4.73 115.29 112.43 1xy3 s HIS 265 Ca 0.02 -2.79 -0.07 0.00 -1.54 0.00 0.00 55.06 50.68 1xy3 s HIS 265 Cb 0.08 -3.28 0.01 0.00 0.04 0.00 0.00 32.58 29.43 1xy3 s HIS 265 CO 0.32 -0.81 0.93 1.63 -2.34 0.00 0.00 174.74 174.47 1xy3 n LYS 266 N 3.00 -6.31 -2.49 2.88 5.02 -1.26 -2.83 118.16 116.17 1xy3 n LYS 266 Ca 0.15 0.69 -0.16 0.00 -2.02 0.00 0.00 58.31 56.97 1xy3 n LYS 266 Cb 0.38 -5.28 -0.01 0.00 -0.02 0.00 0.00 35.03 30.11 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 -1.71 -0.50 3.68 0.72 0.00 -0.96 -4.89 105.19 101.53 1xy3 n GLY 267 Ca -0.00 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.83 4.40 -0.37 0.99 2.96 -1.13 -4.85 118.68 114.85 1xy3 s LEU 268 Ca 0.03 2.66 -0.17 0.00 -0.22 0.00 0.00 54.13 56.43 1xy3 s LEU 268 Cb -0.01 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1xy3 s LEU 268 CO 0.04 -1.00 0.47 -1.10 -1.32 0.00 0.00 176.35 173.44 1xy3 s GLN 269 N 3.30 3.46 0.00 1.98 -1.52 -1.26 -1.95 119.66 123.66 1xy3 s GLN 269 Ca 0.82 -0.38 0.19 0.00 -1.95 0.00 0.00 55.36 54.04 1xy3 s GLN 269 Cb -0.43 -3.86 0.32 0.00 -0.22 0.00 0.00 33.01 28.82 1xy3 s GLN 269 CO 0.37 -0.70 1.12 -1.71 -0.25 0.00 0.00 175.29 174.12 1xy3 n ASN 270 N 5.67 0.56 -4.30 5.90 5.15 -1.26 -4.71 115.26 122.27 1xy3 n ASN 270 Ca -0.06 -1.99 -0.16 0.00 -0.60 0.00 0.00 54.58 51.77 1xy3 n ASN 270 Cb 0.49 -0.18 -0.10 0.00 -0.53 0.00 0.00 39.78 39.46 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 1.45 0.00 -0.44 -4.23 -1.26 -3.98 115.64 107.18 1xy3 s THR 271 Ca 0.25 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1xy3 s THR 271 Cb 0.29 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 72.19 1xy3 s THR 271 CO -0.13 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 173.89 1xy3 n GLY 272 N -0.29 3.45 0.32 3.99 0.00 -1.26 -1.24 105.19 110.17 1xy3 n GLY 272 Ca -0.09 0.03 0.20 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -0.03 1.61 3.64 -1.99 -1.87 116.57 117.93 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 0.01 -0.10 0.09 -2.27 0.00 0.00 179.45 177.18 1xy3 n ASN 274 N -3.24 2.72 -4.68 4.20 4.13 -0.37 -4.95 115.26 113.06 1xy3 n ASN 274 Ca -0.02 -1.87 -0.44 0.00 1.68 0.00 0.00 54.58 53.92 1xy3 n ASN 274 Cb 0.12 0.10 -0.04 0.00 -1.54 0.00 0.00 39.78 38.42 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 1.00 1.77 0.00 5.41 0.00 -0.70 -4.25 120.51 123.74 1xy3 n ALA 275 Ca 0.13 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1xy3 n ALA 275 Cb 0.56 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.48 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 5.45 0.00 -3.67 0.00 1.02 -1.26 -4.93 120.64 117.25 1xy3 n GLU 276 Ca 0.19 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.97 1xy3 n GLU 276 Cb 0.34 -0.43 -0.09 0.00 -0.02 0.00 0.00 31.44 31.25 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 -1.81 5.37 0.25 2.62 1.01 -1.26 -5.09 120.40 121.49 1xy3 s VAL 277 Ca 0.00 0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.30 1xy3 s VAL 277 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1xy3 s VAL 277 CO 0.00 0.39 -0.14 -0.36 0.00 0.00 0.00 175.10 174.98 1xy3 s PHE 278 N 0.72 1.97 -0.36 5.22 0.40 -1.26 -3.93 117.98 120.74 1xy3 s PHE 278 Ca 0.09 -0.52 -0.02 0.00 -0.60 0.00 0.00 56.93 55.87 1xy3 s PHE 278 Cb -0.12 -0.95 0.08 0.00 0.51 0.00 0.00 43.02 42.54 1xy3 s PHE 278 CO 0.02 0.46 0.12 0.00 0.70 0.00 0.00 175.22 176.52 1xy3 s ALA 279 N -2.82 3.01 0.29 5.36 0.00 -0.30 -4.93 121.76 122.37 1xy3 s ALA 279 Ca 0.27 -2.20 -0.30 0.00 0.00 0.00 0.00 51.96 49.73 1xy3 s ALA 279 Cb -0.01 -2.21 -0.11 0.00 0.00 0.00 0.00 23.12 20.79 1xy3 s ALA 279 CO 0.11 -1.57 1.58 -2.14 0.00 0.00 0.00 175.76 173.73 1xy3 s PRO 280 N 1.19 4.14 -0.21 0.00 0.02 -1.26 -2.00 135.00 136.88 1xy3 s PRO 280 Ca 0.03 2.55 -0.08 0.00 0.02 0.00 0.00 61.00 63.51 1xy3 s PRO 280 Cb -0.21 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 1xy3 s PRO 280 CO -0.03 -0.61 0.08 -0.65 -0.33 0.00 0.00 177.00 175.47 1xy3 s GLN 281 N -0.49 3.94 0.16 5.54 -1.52 0.15 -4.94 119.66 122.50 1xy3 s GLN 281 Ca 0.63 -0.35 -0.04 0.00 -1.95 0.00 0.00 55.36 53.64 1xy3 s GLN 281 Cb -0.47 -3.30 0.02 0.00 -0.22 0.00 0.00 33.01 29.03 1xy3 s GLN 281 CO 0.47 0.15 1.42 0.77 -0.25 0.00 0.00 175.29 177.85 1xy3 h SER 282 N 7.13 0.62 -4.99 5.90 0.02 -1.94 -3.39 113.55 116.90 1xy3 h SER 282 Ca -0.37 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.17 1xy3 h SER 282 Cb 1.17 -0.18 -0.12 0.00 0.14 0.00 0.00 62.40 63.41 1xy3 h SER 282 CO 0.67 1.14 0.22 1.51 -1.14 0.00 0.00 176.83 179.23 1xy3 s ASP 283 N -7.00 -0.56 0.40 3.07 1.47 -1.26 -4.80 116.67 108.00 1xy3 s ASP 283 Ca -0.07 -0.01 0.00 0.00 1.18 0.00 0.00 52.55 53.65 1xy3 s ASP 283 Cb 0.10 0.60 0.00 0.00 -0.34 0.00 0.00 42.92 43.28 1xy3 s ASP 283 CO 0.86 -0.97 0.00 -0.81 0.68 0.00 0.00 175.17 174.93 1xy3 n PRO 284 N -0.38 0.61 -3.68 2.11 -0.04 -1.26 -5.11 135.00 127.25 1xy3 n PRO 284 Ca -0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 1xy3 n PRO 284 Cb 0.65 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.02 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 -1.00 -0.43 0.51 3.54 4.22 -1.26 -4.73 114.94 115.79 1xy3 s ASN 285 Ca 0.00 0.62 -0.20 0.00 -2.14 0.00 0.00 52.86 51.13 1xy3 s ASN 285 Cb 0.00 0.66 -0.07 0.00 1.28 0.00 0.00 41.25 43.12 1xy3 s ASN 285 CO 0.00 -0.36 1.10 -0.83 -2.04 0.00 0.00 177.10 174.97 1xy3 s GLY 286 N -0.61 2.62 -0.08 0.45 0.00 -1.23 -4.83 107.32 103.64 1xy3 s GLY 286 Ca -0.07 0.77 -0.01 0.00 0.00 0.00 0.00 44.72 45.41 1xy3 s GLY 286 CO 0.04 1.13 -0.01 -2.27 0.00 0.00 0.00 173.10 171.99 1xy3 s LEU 287 N -3.59 0.71 -0.14 0.66 2.96 -1.26 0.57 118.68 118.59 1xy3 s LEU 287 Ca 0.70 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.48 1xy3 s LEU 287 Cb -0.22 -0.52 0.02 0.00 0.50 0.00 0.00 46.19 45.97 1xy3 s LEU 287 CO 0.26 -0.18 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.33 1xy3 s ILE 288 N 1.92 1.56 0.20 6.68 1.09 -0.79 -5.00 121.20 126.86 1xy3 s ILE 288 Ca 0.05 -0.63 0.08 0.00 -1.10 0.00 0.00 60.65 59.05 1xy3 s ILE 288 Cb -0.12 -1.46 -0.04 0.00 -1.06 0.00 0.00 42.46 39.78 1xy3 s ILE 288 CO -0.06 0.46 -0.02 -0.54 -0.10 0.00 0.00 174.94 174.68 1xy3 s LYS 289 N 1.40 2.30 -0.28 2.79 1.02 -1.26 -0.80 119.74 124.92 1xy3 s LYS 289 Ca 0.03 -1.21 -0.15 0.00 0.02 0.00 0.00 55.97 54.66 1xy3 s LYS 289 Cb -0.13 -2.27 0.08 0.00 -0.52 0.00 0.00 37.83 34.99 1xy3 s LYS 289 CO -0.09 0.43 0.68 0.00 -0.92 0.00 0.00 175.35 175.45 1xy3 s THR 291 N 1.76 2.36 -0.12 0.00 2.01 -1.26 -0.26 115.64 120.13 1xy3 s THR 291 Ca -0.10 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1xy3 s THR 291 Cb -0.06 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1xy3 s THR 291 CO -0.20 0.38 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.26 1xy3 s VAL 292 N 1.29 2.80 0.25 3.82 1.01 0.65 -4.97 120.40 125.24 1xy3 s VAL 292 Ca 0.02 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1xy3 s VAL 292 Cb -0.15 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 1xy3 s VAL 292 CO -0.09 0.54 0.02 0.61 0.00 0.00 0.00 175.10 176.17 1xy3 n GLY 293 N 3.49 3.81 3.89 4.51 0.00 -1.26 -1.00 105.19 118.63 1xy3 n GLY 293 Ca -0.18 -2.22 -0.31 0.00 0.00 0.00 0.00 46.02 43.31 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 -2.90 3.68 0.00 1.61 0.52 -1.26 -5.03 118.95 115.57 1xy3 s ARG 294 Ca 0.03 0.04 0.04 0.00 -0.52 0.00 0.00 55.73 55.32 1xy3 s ARG 294 Cb 0.00 -2.75 0.27 0.00 0.52 0.00 0.00 34.95 32.99 1xy3 s ARG 294 CO 0.02 0.37 0.74 0.43 0.02 0.00 0.00 175.30 176.89